USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 672 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 46 HIS : no HD1:sc= -1.62 X(o=-1.4,f=-1) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 166:sc= 0.173 (180deg=0.117) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.43) USER MOD Single : A 43 THR OG1 : rot 28:sc= 1.15 USER MOD Single : A 44 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.093) USER MOD Single : A 54 SER OG : rot 115:sc= 0.0672 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -179:sc= -0.655 (180deg=-0.676) USER MOD Single : A 68 TYR OH : rot 150:sc= -0.153 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 92:sc= 0.59 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -158:sc= -0.484 (180deg=-1.18) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 130:sc= -0.155 USER MOD Single : A 94 ASN : amide:sc= -2 K(o=-2,f=-4.5!) USER MOD Single : A 95 GLN : amide:sc= -0.699 K(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -7.926 4.120 9.191 1.00 0.00 N ATOM 149 CA ALA A 13 -6.516 4.481 9.277 1.00 0.00 C ATOM 150 C ALA A 13 -6.346 5.982 9.491 1.00 0.00 C ATOM 151 O ALA A 13 -7.044 6.788 8.877 1.00 0.00 O ATOM 152 CB ALA A 13 -5.781 4.037 8.022 1.00 0.00 C ATOM 0 HA ALA A 13 -6.086 3.968 10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.729 4.313 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.866 2.956 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.221 4.524 7.151 1.00 0.00 H new ATOM 158 N ASN A 14 -5.413 6.348 10.364 1.00 0.00 N ATOM 159 CA ASN A 14 -5.152 7.752 10.657 1.00 0.00 C ATOM 160 C ASN A 14 -4.263 8.375 9.584 1.00 0.00 C ATOM 161 O ASN A 14 -4.446 9.532 9.207 1.00 0.00 O ATOM 162 CB ASN A 14 -4.492 7.893 12.031 1.00 0.00 C ATOM 163 CG ASN A 14 -5.124 8.989 12.865 1.00 0.00 C ATOM 164 OD1 ASN A 14 -4.683 10.138 12.839 1.00 0.00 O ATOM 165 ND2 ASN A 14 -6.164 8.638 13.614 1.00 0.00 N ATOM 0 H ASN A 14 -4.826 5.693 10.880 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.105 8.281 10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.565 6.946 12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.431 8.105 11.901 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.630 9.333 14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.497 7.674 13.605 1.00 0.00 H new ATOM 172 N SER A 15 -3.301 7.598 9.097 1.00 0.00 N ATOM 173 CA SER A 15 -2.384 8.072 8.067 1.00 0.00 C ATOM 174 C SER A 15 -2.131 6.985 7.024 1.00 0.00 C ATOM 175 O SER A 15 -2.443 5.815 7.247 1.00 0.00 O ATOM 176 CB SER A 15 -1.060 8.512 8.697 1.00 0.00 C ATOM 177 OG SER A 15 -0.870 7.902 9.962 1.00 0.00 O ATOM 0 H SER A 15 -3.136 6.638 9.399 1.00 0.00 H new ATOM 0 HA SER A 15 -2.842 8.927 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.234 8.250 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.049 9.596 8.807 1.00 0.00 H new ATOM 0 HG SER A 15 -0.017 8.198 10.343 1.00 0.00 H new ATOM 183 N PRO A 16 -1.556 7.358 5.868 1.00 0.00 N ATOM 184 CA PRO A 16 -1.261 6.406 4.791 1.00 0.00 C ATOM 185 C PRO A 16 -0.227 5.364 5.208 1.00 0.00 C ATOM 186 O PRO A 16 -0.180 4.267 4.652 1.00 0.00 O ATOM 187 CB PRO A 16 -0.708 7.289 3.667 1.00 0.00 C ATOM 188 CG PRO A 16 -0.232 8.526 4.346 1.00 0.00 C ATOM 189 CD PRO A 16 -1.147 8.729 5.520 1.00 0.00 C ATOM 0 HA PRO A 16 -2.143 5.835 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.105 6.791 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.477 7.515 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.803 8.420 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.268 9.381 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.636 9.220 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.003 9.351 5.260 1.00 0.00 H new ATOM 197 N GLN A 17 0.597 5.713 6.190 1.00 0.00 N ATOM 198 CA GLN A 17 1.628 4.807 6.681 1.00 0.00 C ATOM 199 C GLN A 17 1.006 3.563 7.305 1.00 0.00 C ATOM 200 O GLN A 17 1.252 2.443 6.860 1.00 0.00 O ATOM 201 CB GLN A 17 2.514 5.517 7.706 1.00 0.00 C ATOM 202 CG GLN A 17 3.119 6.812 7.192 1.00 0.00 C ATOM 203 CD GLN A 17 3.706 7.662 8.303 1.00 0.00 C ATOM 204 OE1 GLN A 17 3.109 8.653 8.725 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.883 7.278 8.783 1.00 0.00 N ATOM 0 H GLN A 17 0.571 6.617 6.662 1.00 0.00 H new ATOM 0 HA GLN A 17 2.240 4.499 5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.925 5.730 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.317 4.845 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.898 6.582 6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.353 7.384 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.343 6.450 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.327 7.811 9.531 1.00 0.00 H new ATOM 214 N GLU A 18 0.196 3.768 8.340 1.00 0.00 N ATOM 215 CA GLU A 18 -0.463 2.663 9.027 1.00 0.00 C ATOM 216 C GLU A 18 -1.366 1.889 8.071 1.00 0.00 C ATOM 217 O GLU A 18 -1.335 0.659 8.031 1.00 0.00 O ATOM 218 CB GLU A 18 -1.280 3.186 10.208 1.00 0.00 C ATOM 219 CG GLU A 18 -1.305 2.239 11.398 1.00 0.00 C ATOM 220 CD GLU A 18 -2.535 2.423 12.264 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.623 1.964 11.856 1.00 0.00 O ATOM 222 OE2 GLU A 18 -2.412 3.026 13.352 1.00 0.00 O ATOM 0 H GLU A 18 -0.019 4.689 8.721 1.00 0.00 H new ATOM 0 HA GLU A 18 0.307 1.986 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.871 4.145 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.303 3.369 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.268 1.210 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.412 2.398 12.003 1.00 0.00 H new ATOM 229 N ALA A 19 -2.170 2.618 7.304 1.00 0.00 N ATOM 230 CA ALA A 19 -3.082 2.001 6.350 1.00 0.00 C ATOM 231 C ALA A 19 -2.325 1.156 5.331 1.00 0.00 C ATOM 232 O ALA A 19 -2.842 0.158 4.829 1.00 0.00 O ATOM 233 CB ALA A 19 -3.907 3.067 5.644 1.00 0.00 C ATOM 0 H ALA A 19 -2.208 3.637 7.325 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.753 1.342 6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.584 2.592 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.486 3.626 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.243 3.748 5.112 1.00 0.00 H new ATOM 239 N LEU A 20 -1.095 1.561 5.029 1.00 0.00 N ATOM 240 CA LEU A 20 -0.267 0.841 4.070 1.00 0.00 C ATOM 241 C LEU A 20 0.268 -0.454 4.675 1.00 0.00 C ATOM 242 O LEU A 20 0.258 -1.503 4.031 1.00 0.00 O ATOM 243 CB LEU A 20 0.896 1.720 3.607 1.00 0.00 C ATOM 244 CG LEU A 20 1.821 1.078 2.571 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.156 1.058 1.203 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.148 1.821 2.510 1.00 0.00 C ATOM 0 H LEU A 20 -0.651 2.384 5.435 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.888 0.589 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.491 2.641 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.489 1.999 4.478 1.00 0.00 H new ATOM 0 HG LEU A 20 2.016 0.049 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.828 0.598 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.231 0.483 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.931 2.078 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.794 1.351 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.971 2.860 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.631 1.785 3.487 1.00 0.00 H new ATOM 258 N LEU A 21 0.735 -0.371 5.917 1.00 0.00 N ATOM 259 CA LEU A 21 1.275 -1.537 6.609 1.00 0.00 C ATOM 260 C LEU A 21 0.210 -2.616 6.769 1.00 0.00 C ATOM 261 O LEU A 21 0.517 -3.809 6.771 1.00 0.00 O ATOM 262 CB LEU A 21 1.818 -1.133 7.981 1.00 0.00 C ATOM 263 CG LEU A 21 2.372 -2.285 8.821 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.508 -2.983 8.089 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.842 -1.778 10.177 1.00 0.00 C ATOM 0 H LEU A 21 0.751 0.490 6.464 1.00 0.00 H new ATOM 0 HA LEU A 21 2.089 -1.942 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.607 -0.394 7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.021 -0.645 8.542 1.00 0.00 H new ATOM 0 HG LEU A 21 1.573 -3.008 8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.889 -3.799 8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.141 -3.381 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.309 -2.270 7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.233 -2.611 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.626 -1.034 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.004 -1.325 10.707 1.00 0.00 H new ATOM 277 N TRP A 22 -1.042 -2.191 6.900 1.00 0.00 N ATOM 278 CA TRP A 22 -2.153 -3.122 7.060 1.00 0.00 C ATOM 279 C TRP A 22 -2.443 -3.854 5.754 1.00 0.00 C ATOM 280 O TRP A 22 -2.872 -5.007 5.758 1.00 0.00 O ATOM 281 CB TRP A 22 -3.405 -2.379 7.531 1.00 0.00 C ATOM 282 CG TRP A 22 -4.430 -3.279 8.150 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.619 -3.512 9.482 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.409 -4.066 7.462 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.655 -4.397 9.663 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.156 -4.751 8.439 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.727 -4.257 6.114 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.200 -5.612 8.109 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -6.763 -5.112 5.789 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.489 -5.780 6.783 1.00 0.00 C ATOM 0 H TRP A 22 -1.313 -1.208 6.899 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.871 -3.858 7.813 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.116 -1.617 8.255 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.852 -1.860 6.683 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.039 -3.066 10.277 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.995 -4.735 10.563 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.173 -3.746 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.761 -6.129 8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.017 -5.268 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.293 -6.441 6.496 1.00 0.00 H new ATOM 301 N ALA A 23 -2.206 -3.174 4.636 1.00 0.00 N ATOM 302 CA ALA A 23 -2.441 -3.759 3.322 1.00 0.00 C ATOM 303 C ALA A 23 -1.359 -4.774 2.970 1.00 0.00 C ATOM 304 O ALA A 23 -1.648 -5.844 2.434 1.00 0.00 O ATOM 305 CB ALA A 23 -2.509 -2.669 2.263 1.00 0.00 C ATOM 0 H ALA A 23 -1.852 -2.218 4.615 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.397 -4.282 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.685 -3.121 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.324 -1.984 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.567 -2.120 2.245 1.00 0.00 H new ATOM 311 N LEU A 24 -0.112 -4.431 3.273 1.00 0.00 N ATOM 312 CA LEU A 24 1.015 -5.312 2.987 1.00 0.00 C ATOM 313 C LEU A 24 0.965 -6.561 3.863 1.00 0.00 C ATOM 314 O LEU A 24 1.403 -7.636 3.452 1.00 0.00 O ATOM 315 CB LEU A 24 2.336 -4.573 3.206 1.00 0.00 C ATOM 316 CG LEU A 24 2.731 -3.608 2.088 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.984 -2.835 2.469 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.945 -4.364 0.784 1.00 0.00 C ATOM 0 H LEU A 24 0.144 -3.549 3.717 1.00 0.00 H new ATOM 0 HA LEU A 24 0.948 -5.619 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.272 -4.016 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.131 -5.309 3.327 1.00 0.00 H new ATOM 0 HG LEU A 24 1.919 -2.895 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.250 -2.153 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.797 -2.265 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.804 -3.533 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.226 -3.662 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.740 -5.098 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.023 -4.873 0.503 1.00 0.00 H new ATOM 330 N ASN A 25 0.430 -6.411 5.070 1.00 0.00 N ATOM 331 CA ASN A 25 0.324 -7.527 6.002 1.00 0.00 C ATOM 332 C ASN A 25 -0.796 -8.476 5.590 1.00 0.00 C ATOM 333 O ASN A 25 -0.719 -9.682 5.826 1.00 0.00 O ATOM 334 CB ASN A 25 0.075 -7.010 7.420 1.00 0.00 C ATOM 335 CG ASN A 25 1.364 -6.750 8.175 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.489 -7.096 9.351 1.00 0.00 O ATOM 337 ND2 ASN A 25 2.330 -6.138 7.503 1.00 0.00 N ATOM 0 H ASN A 25 0.063 -5.528 5.425 1.00 0.00 H new ATOM 0 HA ASN A 25 1.265 -8.076 5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.506 -6.089 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.524 -7.737 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.220 -5.936 7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.183 -5.869 6.530 1.00 0.00 H new ATOM 344 N ASP A 26 -1.836 -7.925 4.972 1.00 0.00 N ATOM 345 CA ASP A 26 -2.971 -8.724 4.527 1.00 0.00 C ATOM 346 C ASP A 26 -2.539 -9.753 3.487 1.00 0.00 C ATOM 347 O ASP A 26 -3.128 -10.829 3.381 1.00 0.00 O ATOM 348 CB ASP A 26 -4.060 -7.822 3.946 1.00 0.00 C ATOM 349 CG ASP A 26 -5.444 -8.428 4.075 1.00 0.00 C ATOM 350 OD1 ASP A 26 -5.602 -9.622 3.744 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.370 -7.709 4.507 1.00 0.00 O ATOM 0 H ASP A 26 -1.916 -6.929 4.768 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.370 -9.254 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.040 -6.859 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.847 -7.631 2.894 1.00 0.00 H new ATOM 356 N LEU A 27 -1.507 -9.415 2.719 1.00 0.00 N ATOM 357 CA LEU A 27 -0.996 -10.310 1.687 1.00 0.00 C ATOM 358 C LEU A 27 -0.561 -11.643 2.287 1.00 0.00 C ATOM 359 O LEU A 27 0.130 -11.682 3.305 1.00 0.00 O ATOM 360 CB LEU A 27 0.180 -9.659 0.955 1.00 0.00 C ATOM 361 CG LEU A 27 -0.168 -8.397 0.165 1.00 0.00 C ATOM 362 CD1 LEU A 27 1.035 -7.468 0.088 1.00 0.00 C ATOM 363 CD2 LEU A 27 -0.654 -8.760 -1.230 1.00 0.00 C ATOM 0 H LEU A 27 -1.009 -8.528 2.792 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.800 -10.499 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.950 -9.411 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.612 -10.390 0.271 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.972 -7.875 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.769 -6.575 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.339 -7.183 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.859 -7.980 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.897 -7.850 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.129 -9.304 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.543 -9.387 -1.154 1.00 0.00 H new ATOM 375 N GLU A 28 -0.969 -12.734 1.648 1.00 0.00 N ATOM 376 CA GLU A 28 -0.621 -14.070 2.118 1.00 0.00 C ATOM 377 C GLU A 28 0.677 -14.550 1.476 1.00 0.00 C ATOM 378 O GLU A 28 1.252 -13.867 0.629 1.00 0.00 O ATOM 379 CB GLU A 28 -1.751 -15.054 1.809 1.00 0.00 C ATOM 380 CG GLU A 28 -3.072 -14.689 2.468 1.00 0.00 C ATOM 381 CD GLU A 28 -3.183 -15.221 3.884 1.00 0.00 C ATOM 382 OE1 GLU A 28 -3.512 -16.414 4.046 1.00 0.00 O ATOM 383 OE2 GLU A 28 -2.939 -14.443 4.830 1.00 0.00 O ATOM 0 H GLU A 28 -1.541 -12.720 0.803 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.477 -14.022 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.894 -15.103 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.454 -16.050 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.180 -13.604 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.894 -15.083 1.870 1.00 0.00 H new ATOM 390 N GLU A 29 1.134 -15.730 1.885 1.00 0.00 N ATOM 391 CA GLU A 29 2.364 -16.301 1.349 1.00 0.00 C ATOM 392 C GLU A 29 2.218 -16.619 -0.136 1.00 0.00 C ATOM 393 O GLU A 29 3.193 -16.587 -0.886 1.00 0.00 O ATOM 394 CB GLU A 29 2.741 -17.567 2.119 1.00 0.00 C ATOM 395 CG GLU A 29 2.654 -17.411 3.629 1.00 0.00 C ATOM 396 CD GLU A 29 1.861 -18.523 4.287 1.00 0.00 C ATOM 397 OE1 GLU A 29 0.629 -18.373 4.423 1.00 0.00 O ATOM 398 OE2 GLU A 29 2.473 -19.544 4.667 1.00 0.00 O ATOM 0 H GLU A 29 0.671 -16.309 2.586 1.00 0.00 H new ATOM 0 HA GLU A 29 3.157 -15.563 1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.085 -18.380 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.757 -17.856 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.661 -17.392 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.192 -16.452 3.865 1.00 0.00 H new ATOM 405 N ASN A 30 0.994 -16.929 -0.553 1.00 0.00 N ATOM 406 CA ASN A 30 0.723 -17.256 -1.948 1.00 0.00 C ATOM 407 C ASN A 30 0.767 -16.006 -2.823 1.00 0.00 C ATOM 408 O ASN A 30 1.104 -16.077 -4.005 1.00 0.00 O ATOM 409 CB ASN A 30 -0.643 -17.934 -2.078 1.00 0.00 C ATOM 410 CG ASN A 30 -0.625 -19.088 -3.060 1.00 0.00 C ATOM 411 OD1 ASN A 30 0.439 -19.562 -3.459 1.00 0.00 O ATOM 412 ND2 ASN A 30 -1.806 -19.546 -3.457 1.00 0.00 N ATOM 0 H ASN A 30 0.175 -16.960 0.055 1.00 0.00 H new ATOM 0 HA ASN A 30 1.498 -17.942 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.959 -18.298 -1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.381 -17.199 -2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.856 -20.321 -4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.663 -19.123 -3.101 1.00 0.00 H new ATOM 419 N SER A 31 0.425 -14.864 -2.237 1.00 0.00 N ATOM 420 CA SER A 31 0.426 -13.601 -2.966 1.00 0.00 C ATOM 421 C SER A 31 1.758 -12.876 -2.804 1.00 0.00 C ATOM 422 O SER A 31 2.297 -12.324 -3.764 1.00 0.00 O ATOM 423 CB SER A 31 -0.715 -12.707 -2.477 1.00 0.00 C ATOM 424 OG SER A 31 -1.909 -12.964 -3.197 1.00 0.00 O ATOM 0 H SER A 31 0.144 -14.787 -1.260 1.00 0.00 H new ATOM 0 HA SER A 31 0.281 -13.822 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.884 -12.877 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.436 -11.660 -2.592 1.00 0.00 H new ATOM 0 HG SER A 31 -2.623 -12.381 -2.865 1.00 0.00 H new ATOM 430 N PHE A 32 2.285 -12.880 -1.584 1.00 0.00 N ATOM 431 CA PHE A 32 3.555 -12.222 -1.297 1.00 0.00 C ATOM 432 C PHE A 32 4.699 -12.890 -2.051 1.00 0.00 C ATOM 433 O PHE A 32 5.680 -12.241 -2.414 1.00 0.00 O ATOM 434 CB PHE A 32 3.837 -12.247 0.206 1.00 0.00 C ATOM 435 CG PHE A 32 4.512 -11.004 0.711 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.933 -9.759 0.520 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.725 -11.080 1.377 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.552 -8.614 0.984 1.00 0.00 C ATOM 439 CE2 PHE A 32 6.349 -9.938 1.843 1.00 0.00 C ATOM 440 CZ PHE A 32 5.761 -8.703 1.646 1.00 0.00 C ATOM 0 H PHE A 32 1.852 -13.331 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 32 3.481 -11.187 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.897 -12.383 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.463 -13.109 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.988 -9.683 0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.188 -12.043 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.091 -7.650 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.294 -10.011 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.246 -7.809 2.009 1.00 0.00 H new ATOM 450 N LYS A 33 4.568 -14.193 -2.283 1.00 0.00 N ATOM 451 CA LYS A 33 5.592 -14.950 -2.993 1.00 0.00 C ATOM 452 C LYS A 33 5.747 -14.451 -4.427 1.00 0.00 C ATOM 453 O LYS A 33 6.830 -14.527 -5.007 1.00 0.00 O ATOM 454 CB LYS A 33 5.244 -16.440 -2.992 1.00 0.00 C ATOM 455 CG LYS A 33 5.893 -17.215 -1.858 1.00 0.00 C ATOM 456 CD LYS A 33 5.472 -18.675 -1.868 1.00 0.00 C ATOM 457 CE LYS A 33 6.246 -19.486 -0.842 1.00 0.00 C ATOM 458 NZ LYS A 33 7.372 -20.239 -1.464 1.00 0.00 N ATOM 0 H LYS A 33 3.763 -14.746 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 33 6.540 -14.804 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.162 -16.552 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.551 -16.877 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.978 -17.148 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.620 -16.763 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.404 -18.748 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.633 -19.094 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.636 -18.820 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.571 -20.185 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.875 -20.779 -0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.998 -20.893 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.030 -19.571 -1.914 1.00 0.00 H new ATOM 472 N THR A 34 4.657 -13.943 -4.995 1.00 0.00 N ATOM 473 CA THR A 34 4.674 -13.434 -6.361 1.00 0.00 C ATOM 474 C THR A 34 4.897 -11.925 -6.380 1.00 0.00 C ATOM 475 O THR A 34 5.634 -11.406 -7.218 1.00 0.00 O ATOM 476 CB THR A 34 3.363 -13.775 -7.070 1.00 0.00 C ATOM 477 OG1 THR A 34 3.079 -15.159 -6.960 1.00 0.00 O ATOM 478 CG2 THR A 34 3.369 -13.424 -8.542 1.00 0.00 C ATOM 0 H THR A 34 3.752 -13.873 -4.530 1.00 0.00 H new ATOM 0 HA THR A 34 5.501 -13.911 -6.888 1.00 0.00 H new ATOM 0 HB THR A 34 2.601 -13.174 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.236 -15.357 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.409 -13.692 -8.984 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.537 -12.353 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.165 -13.973 -9.044 1.00 0.00 H new ATOM 486 N LEU A 35 4.255 -11.226 -5.450 1.00 0.00 N ATOM 487 CA LEU A 35 4.381 -9.776 -5.359 1.00 0.00 C ATOM 488 C LEU A 35 5.811 -9.371 -5.016 1.00 0.00 C ATOM 489 O LEU A 35 6.293 -8.328 -5.456 1.00 0.00 O ATOM 490 CB LEU A 35 3.416 -9.225 -4.307 1.00 0.00 C ATOM 491 CG LEU A 35 3.451 -7.707 -4.127 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.448 -7.036 -5.054 1.00 0.00 C ATOM 493 CD2 LEU A 35 3.174 -7.335 -2.679 1.00 0.00 C ATOM 0 H LEU A 35 3.642 -11.641 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 35 4.129 -9.354 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.402 -9.520 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.641 -9.694 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 35 4.448 -7.353 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.487 -5.956 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.693 -7.275 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.445 -7.396 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.203 -6.251 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.189 -7.702 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.931 -7.785 -2.037 1.00 0.00 H new ATOM 505 N LYS A 36 6.482 -10.202 -4.226 1.00 0.00 N ATOM 506 CA LYS A 36 7.857 -9.928 -3.821 1.00 0.00 C ATOM 507 C LYS A 36 8.779 -9.851 -5.033 1.00 0.00 C ATOM 508 O LYS A 36 9.774 -9.125 -5.023 1.00 0.00 O ATOM 509 CB LYS A 36 8.351 -11.009 -2.858 1.00 0.00 C ATOM 510 CG LYS A 36 9.701 -10.696 -2.232 1.00 0.00 C ATOM 511 CD LYS A 36 10.124 -11.776 -1.251 1.00 0.00 C ATOM 512 CE LYS A 36 10.796 -12.942 -1.958 1.00 0.00 C ATOM 513 NZ LYS A 36 10.304 -14.255 -1.456 1.00 0.00 N ATOM 0 H LYS A 36 6.097 -11.070 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 36 7.874 -8.963 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.615 -11.142 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.419 -11.957 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.453 -10.600 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.651 -9.736 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.808 -11.353 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.251 -12.135 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.612 -12.871 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.875 -12.880 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.787 -15.024 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.502 -14.334 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.279 -14.325 -1.615 1.00 0.00 H new ATOM 527 N PHE A 37 8.446 -10.605 -6.075 1.00 0.00 N ATOM 528 CA PHE A 37 9.248 -10.621 -7.294 1.00 0.00 C ATOM 529 C PHE A 37 8.856 -9.475 -8.221 1.00 0.00 C ATOM 530 O PHE A 37 9.693 -8.937 -8.947 1.00 0.00 O ATOM 531 CB PHE A 37 9.085 -11.959 -8.019 1.00 0.00 C ATOM 532 CG PHE A 37 10.382 -12.538 -8.507 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.222 -11.798 -9.322 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.759 -13.823 -8.151 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.416 -12.327 -9.773 1.00 0.00 C ATOM 536 CE2 PHE A 37 11.952 -14.359 -8.599 1.00 0.00 C ATOM 537 CZ PHE A 37 12.782 -13.609 -9.411 1.00 0.00 C ATOM 0 H PHE A 37 7.627 -11.213 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 37 10.293 -10.493 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.608 -12.672 -7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.414 -11.824 -8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.940 -10.795 -9.609 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.114 -14.412 -7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.062 -11.739 -10.408 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.235 -15.362 -8.315 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.715 -14.025 -9.762 1.00 0.00 H new ATOM 547 N HIS A 38 7.580 -9.105 -8.192 1.00 0.00 N ATOM 548 CA HIS A 38 7.078 -8.023 -9.031 1.00 0.00 C ATOM 549 C HIS A 38 7.592 -6.666 -8.554 1.00 0.00 C ATOM 550 O HIS A 38 7.527 -5.677 -9.284 1.00 0.00 O ATOM 551 CB HIS A 38 5.549 -8.027 -9.040 1.00 0.00 C ATOM 552 CG HIS A 38 4.958 -8.980 -10.031 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.527 -9.266 -11.253 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.824 -9.723 -9.964 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.739 -10.153 -11.876 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.691 -10.462 -11.136 1.00 0.00 N ATOM 0 H HIS A 38 6.875 -9.539 -7.596 1.00 0.00 H new ATOM 0 HA HIS A 38 7.445 -8.188 -10.044 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.189 -8.283 -8.043 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.193 -7.021 -9.259 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.134 -9.738 -9.133 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.936 -10.562 -12.856 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.939 -11.109 -11.374 1.00 0.00 H new ATOM 564 N LEU A 39 8.100 -6.621 -7.325 1.00 0.00 N ATOM 565 CA LEU A 39 8.620 -5.381 -6.756 1.00 0.00 C ATOM 566 C LEU A 39 9.710 -4.784 -7.643 1.00 0.00 C ATOM 567 O LEU A 39 9.783 -3.568 -7.819 1.00 0.00 O ATOM 568 CB LEU A 39 9.173 -5.633 -5.353 1.00 0.00 C ATOM 569 CG LEU A 39 8.114 -5.841 -4.268 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.773 -6.024 -2.910 1.00 0.00 C ATOM 571 CD2 LEU A 39 7.145 -4.669 -4.240 1.00 0.00 C ATOM 0 H LEU A 39 8.163 -7.428 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 39 7.797 -4.668 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.816 -6.512 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.801 -4.789 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 39 7.552 -6.746 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.006 -6.171 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.428 -6.895 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.359 -5.137 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.398 -4.833 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.692 -3.750 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.649 -4.583 -5.207 1.00 0.00 H new ATOM 583 N ARG A 40 10.555 -5.646 -8.199 1.00 0.00 N ATOM 584 CA ARG A 40 11.641 -5.202 -9.065 1.00 0.00 C ATOM 585 C ARG A 40 11.105 -4.426 -10.265 1.00 0.00 C ATOM 586 O ARG A 40 11.783 -3.553 -10.805 1.00 0.00 O ATOM 587 CB ARG A 40 12.462 -6.400 -9.546 1.00 0.00 C ATOM 588 CG ARG A 40 13.780 -6.012 -10.198 1.00 0.00 C ATOM 589 CD ARG A 40 14.735 -7.192 -10.267 1.00 0.00 C ATOM 590 NE ARG A 40 15.881 -6.919 -11.131 1.00 0.00 N ATOM 591 CZ ARG A 40 17.004 -7.633 -11.122 1.00 0.00 C ATOM 592 NH1 ARG A 40 17.137 -8.663 -10.295 1.00 0.00 N ATOM 593 NH2 ARG A 40 17.998 -7.317 -11.940 1.00 0.00 N ATOM 0 H ARG A 40 10.509 -6.656 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 40 12.282 -4.538 -8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.664 -7.055 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.869 -6.974 -10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.593 -5.635 -11.203 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.242 -5.201 -9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.087 -7.433 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.203 -8.068 -10.637 1.00 0.00 H new ATOM 0 HE ARG A 40 15.817 -6.135 -11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.376 -8.911 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.000 -9.207 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.902 -6.526 -12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.858 -7.865 -11.932 1.00 0.00 H new ATOM 607 N ASP A 41 9.883 -4.751 -10.678 1.00 0.00 N ATOM 608 CA ASP A 41 9.259 -4.084 -11.814 1.00 0.00 C ATOM 609 C ASP A 41 8.805 -2.677 -11.439 1.00 0.00 C ATOM 610 O ASP A 41 9.253 -1.692 -12.027 1.00 0.00 O ATOM 611 CB ASP A 41 8.067 -4.900 -12.320 1.00 0.00 C ATOM 612 CG ASP A 41 8.449 -5.845 -13.442 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.545 -6.440 -13.371 1.00 0.00 O ATOM 614 OD2 ASP A 41 7.652 -5.991 -14.392 1.00 0.00 O ATOM 0 H ASP A 41 9.307 -5.471 -10.243 1.00 0.00 H new ATOM 0 HA ASP A 41 10.001 -4.006 -12.609 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.645 -5.473 -11.494 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.288 -4.222 -12.669 1.00 0.00 H new ATOM 619 N VAL A 42 7.913 -2.589 -10.458 1.00 0.00 N ATOM 620 CA VAL A 42 7.398 -1.302 -10.006 1.00 0.00 C ATOM 621 C VAL A 42 8.519 -0.414 -9.476 1.00 0.00 C ATOM 622 O VAL A 42 8.528 0.795 -9.709 1.00 0.00 O ATOM 623 CB VAL A 42 6.334 -1.476 -8.908 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.101 -2.171 -9.464 1.00 0.00 C ATOM 625 CG2 VAL A 42 6.904 -2.250 -7.728 1.00 0.00 C ATOM 0 H VAL A 42 7.532 -3.394 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 42 6.940 -0.825 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 42 6.038 -0.488 -8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.360 -2.285 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.680 -1.573 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.378 -3.154 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.137 -2.363 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.230 -3.235 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.754 -1.708 -7.313 1.00 0.00 H new ATOM 635 N THR A 43 9.462 -1.019 -8.761 1.00 0.00 N ATOM 636 CA THR A 43 10.587 -0.280 -8.198 1.00 0.00 C ATOM 637 C THR A 43 11.911 -0.807 -8.741 1.00 0.00 C ATOM 638 O THR A 43 12.101 -2.016 -8.877 1.00 0.00 O ATOM 639 CB THR A 43 10.575 -0.375 -6.672 1.00 0.00 C ATOM 640 OG1 THR A 43 10.272 -1.694 -6.254 1.00 0.00 O ATOM 641 CG2 THR A 43 9.572 0.554 -6.022 1.00 0.00 C ATOM 0 H THR A 43 9.470 -2.018 -8.558 1.00 0.00 H new ATOM 0 HA THR A 43 10.485 0.765 -8.491 1.00 0.00 H new ATOM 0 HB THR A 43 11.576 -0.081 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.561 -2.330 -6.941 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.615 0.436 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.808 1.585 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.569 0.310 -6.374 1.00 0.00 H new ATOM 649 N GLN A 44 12.825 0.108 -9.047 1.00 0.00 N ATOM 650 CA GLN A 44 14.133 -0.264 -9.575 1.00 0.00 C ATOM 651 C GLN A 44 15.229 0.618 -8.985 1.00 0.00 C ATOM 652 O GLN A 44 16.235 0.895 -9.637 1.00 0.00 O ATOM 653 CB GLN A 44 14.141 -0.155 -11.101 1.00 0.00 C ATOM 654 CG GLN A 44 15.091 -1.131 -11.775 1.00 0.00 C ATOM 655 CD GLN A 44 14.364 -2.261 -12.480 1.00 0.00 C ATOM 656 OE1 GLN A 44 13.472 -2.027 -13.295 1.00 0.00 O ATOM 657 NE2 GLN A 44 14.745 -3.494 -12.167 1.00 0.00 N ATOM 0 H GLN A 44 12.684 1.112 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 44 14.331 -1.298 -9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.132 -0.327 -11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.417 0.861 -11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.706 -0.594 -12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.767 -1.549 -11.029 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.490 -3.640 -11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.293 -4.295 -12.608 1.00 0.00 H new ATOM 666 N PHE A 45 15.027 1.056 -7.746 1.00 0.00 N ATOM 667 CA PHE A 45 15.998 1.907 -7.070 1.00 0.00 C ATOM 668 C PHE A 45 17.278 1.136 -6.763 1.00 0.00 C ATOM 669 O PHE A 45 18.337 1.425 -7.320 1.00 0.00 O ATOM 670 CB PHE A 45 15.404 2.466 -5.776 1.00 0.00 C ATOM 671 CG PHE A 45 16.173 3.628 -5.215 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.319 4.796 -5.946 1.00 0.00 C ATOM 673 CD2 PHE A 45 16.750 3.552 -3.958 1.00 0.00 C ATOM 674 CE1 PHE A 45 17.027 5.866 -5.433 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.460 4.620 -3.440 1.00 0.00 C ATOM 676 CZ PHE A 45 17.598 5.779 -4.179 1.00 0.00 C ATOM 0 H PHE A 45 14.200 0.835 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 45 16.244 2.734 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.376 2.777 -5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.366 1.672 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.875 4.871 -6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 45 16.644 2.649 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.134 6.771 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.906 4.548 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.151 6.615 -3.777 1.00 0.00 H new ATOM 686 N HIS A 46 17.173 0.153 -5.874 1.00 0.00 N ATOM 687 CA HIS A 46 18.323 -0.660 -5.496 1.00 0.00 C ATOM 688 C HIS A 46 17.881 -2.039 -5.018 1.00 0.00 C ATOM 689 O HIS A 46 18.526 -2.648 -4.165 1.00 0.00 O ATOM 690 CB HIS A 46 19.127 0.039 -4.397 1.00 0.00 C ATOM 691 CG HIS A 46 18.308 0.416 -3.202 1.00 0.00 C ATOM 692 ND1 HIS A 46 18.614 1.463 -2.360 1.00 0.00 N ATOM 693 CD2 HIS A 46 17.170 -0.139 -2.710 1.00 0.00 C ATOM 694 CE1 HIS A 46 17.675 1.511 -1.406 1.00 0.00 C ATOM 695 NE2 HIS A 46 16.775 0.560 -1.573 1.00 0.00 N ATOM 0 H HIS A 46 16.304 -0.099 -5.403 1.00 0.00 H new ATOM 0 HA HIS A 46 18.954 -0.785 -6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.938 -0.616 -4.079 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.586 0.937 -4.810 1.00 0.00 H new ATOM 0 HD2 HIS A 46 16.654 -0.988 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 46 17.657 2.234 -0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 46 15.959 0.376 -0.990 1.00 0.00 H new ATOM 703 N LEU A 47 16.778 -2.528 -5.575 1.00 0.00 N ATOM 704 CA LEU A 47 16.249 -3.836 -5.207 1.00 0.00 C ATOM 705 C LEU A 47 16.441 -4.839 -6.340 1.00 0.00 C ATOM 706 O LEU A 47 15.760 -4.771 -7.363 1.00 0.00 O ATOM 707 CB LEU A 47 14.765 -3.728 -4.851 1.00 0.00 C ATOM 708 CG LEU A 47 14.417 -2.619 -3.857 1.00 0.00 C ATOM 709 CD1 LEU A 47 12.978 -2.164 -4.048 1.00 0.00 C ATOM 710 CD2 LEU A 47 14.642 -3.095 -2.429 1.00 0.00 C ATOM 0 H LEU A 47 16.233 -2.037 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 47 16.799 -4.190 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.198 -3.565 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.436 -4.682 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 47 15.073 -1.769 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.748 -1.375 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.848 -1.784 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.306 -3.007 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.390 -2.294 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.010 -3.960 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.688 -3.372 -2.298 1.00 0.00 H new ATOM 722 N ALA A 48 17.373 -5.768 -6.149 1.00 0.00 N ATOM 723 CA ALA A 48 17.654 -6.785 -7.155 1.00 0.00 C ATOM 724 C ALA A 48 18.016 -8.114 -6.504 1.00 0.00 C ATOM 725 O ALA A 48 17.457 -9.157 -6.844 1.00 0.00 O ATOM 726 CB ALA A 48 18.775 -6.323 -8.074 1.00 0.00 C ATOM 0 H ALA A 48 17.945 -5.837 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 48 16.751 -6.934 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.974 -7.092 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.479 -5.401 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.676 -6.145 -7.487 1.00 0.00 H new ATOM 732 N ARG A 49 18.955 -8.071 -5.563 1.00 0.00 N ATOM 733 CA ARG A 49 19.391 -9.273 -4.863 1.00 0.00 C ATOM 734 C ARG A 49 19.913 -8.934 -3.471 1.00 0.00 C ATOM 735 O ARG A 49 20.871 -8.174 -3.324 1.00 0.00 O ATOM 736 CB ARG A 49 20.475 -9.991 -5.670 1.00 0.00 C ATOM 737 CG ARG A 49 20.040 -11.348 -6.200 1.00 0.00 C ATOM 738 CD ARG A 49 19.750 -12.321 -5.068 1.00 0.00 C ATOM 739 NE ARG A 49 19.231 -13.595 -5.560 1.00 0.00 N ATOM 740 CZ ARG A 49 19.992 -14.549 -6.091 1.00 0.00 C ATOM 741 NH1 ARG A 49 21.304 -14.378 -6.201 1.00 0.00 N ATOM 742 NH2 ARG A 49 19.439 -15.678 -6.516 1.00 0.00 N ATOM 0 H ARG A 49 19.428 -7.217 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 49 18.531 -9.934 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.770 -9.360 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.357 -10.121 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.149 -11.230 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.821 -11.757 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.663 -12.497 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.028 -11.876 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 49 18.227 -13.763 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.734 -13.512 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.882 -15.113 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.431 -15.814 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.022 -16.410 -6.923 1.00 0.00 H new ATOM 756 N GLY A 50 19.276 -9.500 -2.452 1.00 0.00 N ATOM 757 CA GLY A 50 19.690 -9.246 -1.084 1.00 0.00 C ATOM 758 C GLY A 50 18.876 -8.149 -0.425 1.00 0.00 C ATOM 759 O GLY A 50 18.688 -8.152 0.791 1.00 0.00 O ATOM 0 H GLY A 50 18.480 -10.130 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.595 -10.163 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.744 -8.969 -1.072 1.00 0.00 H new ATOM 763 N GLU A 51 18.395 -7.207 -1.230 1.00 0.00 N ATOM 764 CA GLU A 51 17.599 -6.098 -0.717 1.00 0.00 C ATOM 765 C GLU A 51 16.110 -6.346 -0.941 1.00 0.00 C ATOM 766 O GLU A 51 15.272 -5.899 -0.157 1.00 0.00 O ATOM 767 CB GLU A 51 18.015 -4.789 -1.391 1.00 0.00 C ATOM 768 CG GLU A 51 19.211 -4.121 -0.733 1.00 0.00 C ATOM 769 CD GLU A 51 20.461 -4.187 -1.589 1.00 0.00 C ATOM 770 OE1 GLU A 51 20.623 -5.181 -2.327 1.00 0.00 O ATOM 771 OE2 GLU A 51 21.278 -3.244 -1.522 1.00 0.00 O ATOM 0 H GLU A 51 18.542 -7.189 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 51 17.779 -6.021 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.249 -4.987 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.171 -4.099 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.971 -3.078 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.407 -4.599 0.227 1.00 0.00 H new ATOM 778 N LEU A 52 15.788 -7.061 -2.014 1.00 0.00 N ATOM 779 CA LEU A 52 14.399 -7.367 -2.339 1.00 0.00 C ATOM 780 C LEU A 52 13.931 -8.621 -1.608 1.00 0.00 C ATOM 781 O LEU A 52 12.781 -8.707 -1.178 1.00 0.00 O ATOM 782 CB LEU A 52 14.237 -7.552 -3.849 1.00 0.00 C ATOM 783 CG LEU A 52 12.790 -7.603 -4.342 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.151 -6.224 -4.272 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.731 -8.149 -5.761 1.00 0.00 C ATOM 0 H LEU A 52 16.469 -7.439 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 52 13.783 -6.529 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.750 -6.735 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.738 -8.474 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 52 12.228 -8.273 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.122 -6.281 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.160 -5.871 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.713 -5.531 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.694 -8.179 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.308 -7.504 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.148 -9.156 -5.781 1.00 0.00 H new ATOM 797 N GLU A 53 14.827 -9.592 -1.474 1.00 0.00 N ATOM 798 CA GLU A 53 14.505 -10.843 -0.797 1.00 0.00 C ATOM 799 C GLU A 53 14.438 -10.644 0.714 1.00 0.00 C ATOM 800 O GLU A 53 13.513 -11.117 1.374 1.00 0.00 O ATOM 801 CB GLU A 53 15.541 -11.914 -1.136 1.00 0.00 C ATOM 802 CG GLU A 53 14.989 -13.330 -1.098 1.00 0.00 C ATOM 803 CD GLU A 53 16.002 -14.338 -0.591 1.00 0.00 C ATOM 804 OE1 GLU A 53 16.135 -14.475 0.643 1.00 0.00 O ATOM 805 OE2 GLU A 53 16.661 -14.989 -1.428 1.00 0.00 O ATOM 0 H GLU A 53 15.783 -9.537 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 53 13.526 -11.172 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.943 -11.717 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.372 -11.838 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.106 -13.355 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.666 -13.617 -2.099 1.00 0.00 H new ATOM 812 N SER A 54 15.427 -9.941 1.257 1.00 0.00 N ATOM 813 CA SER A 54 15.482 -9.679 2.691 1.00 0.00 C ATOM 814 C SER A 54 14.277 -8.859 3.144 1.00 0.00 C ATOM 815 O SER A 54 13.846 -8.957 4.292 1.00 0.00 O ATOM 816 CB SER A 54 16.775 -8.945 3.047 1.00 0.00 C ATOM 817 OG SER A 54 17.861 -9.848 3.163 1.00 0.00 O ATOM 0 H SER A 54 16.201 -9.543 0.726 1.00 0.00 H new ATOM 0 HA SER A 54 15.461 -10.637 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.997 -8.201 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.644 -8.407 3.986 1.00 0.00 H new ATOM 0 HG SER A 54 18.514 -9.666 2.456 1.00 0.00 H new ATOM 823 N LEU A 55 13.740 -8.053 2.235 1.00 0.00 N ATOM 824 CA LEU A 55 12.586 -7.215 2.542 1.00 0.00 C ATOM 825 C LEU A 55 11.398 -8.062 2.989 1.00 0.00 C ATOM 826 O LEU A 55 10.981 -8.983 2.288 1.00 0.00 O ATOM 827 CB LEU A 55 12.200 -6.375 1.323 1.00 0.00 C ATOM 828 CG LEU A 55 12.860 -4.997 1.252 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.684 -4.394 -0.133 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.283 -4.076 2.317 1.00 0.00 C ATOM 0 H LEU A 55 14.085 -7.962 1.279 1.00 0.00 H new ATOM 0 HA LEU A 55 12.861 -6.550 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.457 -6.931 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.118 -6.244 1.319 1.00 0.00 H new ATOM 0 HG LEU A 55 13.927 -5.113 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.159 -3.414 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.145 -5.046 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.621 -4.289 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.763 -3.100 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.210 -3.964 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.461 -4.504 3.304 1.00 0.00 H new ATOM 842 N SER A 56 10.859 -7.743 4.160 1.00 0.00 N ATOM 843 CA SER A 56 9.718 -8.472 4.702 1.00 0.00 C ATOM 844 C SER A 56 8.437 -7.655 4.566 1.00 0.00 C ATOM 845 O SER A 56 8.418 -6.618 3.905 1.00 0.00 O ATOM 846 CB SER A 56 9.959 -8.822 6.171 1.00 0.00 C ATOM 847 OG SER A 56 9.391 -10.079 6.497 1.00 0.00 O ATOM 0 H SER A 56 11.194 -6.984 4.753 1.00 0.00 H new ATOM 0 HA SER A 56 9.604 -9.393 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.030 -8.840 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.528 -8.049 6.807 1.00 0.00 H new ATOM 0 HG SER A 56 9.561 -10.280 7.441 1.00 0.00 H new ATOM 853 N GLN A 57 7.367 -8.131 5.196 1.00 0.00 N ATOM 854 CA GLN A 57 6.081 -7.444 5.144 1.00 0.00 C ATOM 855 C GLN A 57 6.169 -6.069 5.798 1.00 0.00 C ATOM 856 O GLN A 57 6.017 -5.044 5.132 1.00 0.00 O ATOM 857 CB GLN A 57 5.003 -8.284 5.834 1.00 0.00 C ATOM 858 CG GLN A 57 4.175 -9.119 4.872 1.00 0.00 C ATOM 859 CD GLN A 57 3.995 -10.548 5.346 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.822 -11.417 5.067 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.908 -10.800 6.067 1.00 0.00 N ATOM 0 H GLN A 57 7.365 -8.989 5.748 1.00 0.00 H new ATOM 0 HA GLN A 57 5.812 -7.309 4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.478 -8.945 6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.340 -7.622 6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.196 -8.656 4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.655 -9.122 3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.249 -10.050 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.733 -11.743 6.413 1.00 0.00 H new ATOM 870 N VAL A 58 6.413 -6.054 7.104 1.00 0.00 N ATOM 871 CA VAL A 58 6.518 -4.803 7.847 1.00 0.00 C ATOM 872 C VAL A 58 7.745 -4.006 7.416 1.00 0.00 C ATOM 873 O VAL A 58 7.743 -2.775 7.456 1.00 0.00 O ATOM 874 CB VAL A 58 6.593 -5.058 9.365 1.00 0.00 C ATOM 875 CG1 VAL A 58 6.503 -3.749 10.132 1.00 0.00 C ATOM 876 CG2 VAL A 58 5.496 -6.017 9.800 1.00 0.00 C ATOM 0 H VAL A 58 6.542 -6.893 7.670 1.00 0.00 H new ATOM 0 HA VAL A 58 5.619 -4.227 7.625 1.00 0.00 H new ATOM 0 HB VAL A 58 7.555 -5.518 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.558 -3.950 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.329 -3.100 9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.558 -3.257 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.565 -6.185 10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.523 -5.589 9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.613 -6.966 9.276 1.00 0.00 H new ATOM 886 N ASP A 59 8.792 -4.714 7.005 1.00 0.00 N ATOM 887 CA ASP A 59 10.026 -4.071 6.567 1.00 0.00 C ATOM 888 C ASP A 59 9.836 -3.390 5.215 1.00 0.00 C ATOM 889 O ASP A 59 10.439 -2.351 4.944 1.00 0.00 O ATOM 890 CB ASP A 59 11.157 -5.098 6.482 1.00 0.00 C ATOM 891 CG ASP A 59 12.015 -5.119 7.731 1.00 0.00 C ATOM 892 OD1 ASP A 59 11.460 -5.328 8.831 1.00 0.00 O ATOM 893 OD2 ASP A 59 13.243 -4.924 7.611 1.00 0.00 O ATOM 0 H ASP A 59 8.811 -5.733 6.966 1.00 0.00 H new ATOM 0 HA ASP A 59 10.291 -3.310 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.733 -6.089 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.783 -4.874 5.618 1.00 0.00 H new ATOM 898 N LEU A 60 8.996 -3.980 4.372 1.00 0.00 N ATOM 899 CA LEU A 60 8.730 -3.430 3.048 1.00 0.00 C ATOM 900 C LEU A 60 7.984 -2.103 3.148 1.00 0.00 C ATOM 901 O LEU A 60 8.395 -1.102 2.559 1.00 0.00 O ATOM 902 CB LEU A 60 7.918 -4.422 2.212 1.00 0.00 C ATOM 903 CG LEU A 60 7.517 -3.922 0.822 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.701 -3.988 -0.130 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.349 -4.733 0.281 1.00 0.00 C ATOM 0 H LEU A 60 8.488 -4.839 4.582 1.00 0.00 H new ATOM 0 HA LEU A 60 9.688 -3.252 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.498 -5.338 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.014 -4.683 2.762 1.00 0.00 H new ATOM 0 HG LEU A 60 7.203 -2.882 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.398 -3.629 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.509 -3.364 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.046 -5.019 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.077 -4.364 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.636 -5.782 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.496 -4.635 0.952 1.00 0.00 H new ATOM 917 N ALA A 61 6.885 -2.101 3.896 1.00 0.00 N ATOM 918 CA ALA A 61 6.080 -0.896 4.072 1.00 0.00 C ATOM 919 C ALA A 61 6.925 0.265 4.584 1.00 0.00 C ATOM 920 O ALA A 61 6.813 1.390 4.097 1.00 0.00 O ATOM 921 CB ALA A 61 4.925 -1.170 5.023 1.00 0.00 C ATOM 0 H ALA A 61 6.531 -2.920 4.390 1.00 0.00 H new ATOM 0 HA ALA A 61 5.679 -0.613 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.332 -0.264 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.297 -1.962 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.317 -1.481 5.991 1.00 0.00 H new ATOM 927 N SER A 62 7.773 -0.015 5.569 1.00 0.00 N ATOM 928 CA SER A 62 8.638 1.007 6.146 1.00 0.00 C ATOM 929 C SER A 62 9.696 1.456 5.143 1.00 0.00 C ATOM 930 O SER A 62 10.151 2.600 5.175 1.00 0.00 O ATOM 931 CB SER A 62 9.312 0.478 7.413 1.00 0.00 C ATOM 932 OG SER A 62 8.557 0.802 8.567 1.00 0.00 O ATOM 0 H SER A 62 7.879 -0.941 5.984 1.00 0.00 H new ATOM 0 HA SER A 62 8.020 1.867 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.428 -0.604 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.313 0.901 7.499 1.00 0.00 H new ATOM 0 HG SER A 62 9.009 0.451 9.363 1.00 0.00 H new ATOM 938 N LYS A 63 10.084 0.548 4.252 1.00 0.00 N ATOM 939 CA LYS A 63 11.089 0.851 3.239 1.00 0.00 C ATOM 940 C LYS A 63 10.529 1.793 2.178 1.00 0.00 C ATOM 941 O LYS A 63 11.198 2.738 1.758 1.00 0.00 O ATOM 942 CB LYS A 63 11.585 -0.439 2.582 1.00 0.00 C ATOM 943 CG LYS A 63 12.763 -1.076 3.303 1.00 0.00 C ATOM 944 CD LYS A 63 13.932 -1.331 2.361 1.00 0.00 C ATOM 945 CE LYS A 63 15.176 -0.572 2.796 1.00 0.00 C ATOM 946 NZ LYS A 63 15.947 -0.055 1.632 1.00 0.00 N ATOM 0 H LYS A 63 9.718 -0.403 4.211 1.00 0.00 H new ATOM 0 HA LYS A 63 11.926 1.346 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.764 -1.155 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.872 -0.225 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.086 -0.426 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.448 -2.017 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.149 -2.399 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.657 -1.032 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.887 0.260 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.812 -1.228 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.642 0.646 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.442 -0.842 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.296 0.393 0.956 1.00 0.00 H new ATOM 960 N LEU A 64 9.299 1.528 1.748 1.00 0.00 N ATOM 961 CA LEU A 64 8.651 2.353 0.734 1.00 0.00 C ATOM 962 C LEU A 64 8.529 3.800 1.203 1.00 0.00 C ATOM 963 O LEU A 64 8.588 4.730 0.400 1.00 0.00 O ATOM 964 CB LEU A 64 7.267 1.795 0.399 1.00 0.00 C ATOM 965 CG LEU A 64 7.255 0.365 -0.142 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.847 -0.041 -0.551 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.212 0.231 -1.317 1.00 0.00 C ATOM 0 H LEU A 64 8.732 0.750 2.085 1.00 0.00 H new ATOM 0 HA LEU A 64 9.270 2.332 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.651 1.832 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.798 2.449 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 64 7.588 -0.305 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.859 -1.062 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.187 0.014 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.485 0.633 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.190 -0.793 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.909 0.912 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.223 0.478 -0.993 1.00 0.00 H new ATOM 979 N ILE A 65 8.358 3.980 2.508 1.00 0.00 N ATOM 980 CA ILE A 65 8.228 5.312 3.085 1.00 0.00 C ATOM 981 C ILE A 65 9.594 5.945 3.326 1.00 0.00 C ATOM 982 O ILE A 65 9.759 7.158 3.196 1.00 0.00 O ATOM 983 CB ILE A 65 7.450 5.275 4.414 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.161 4.465 4.254 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.140 6.687 4.887 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.523 4.081 5.571 1.00 0.00 C ATOM 0 H ILE A 65 8.306 3.220 3.186 1.00 0.00 H new ATOM 0 HA ILE A 65 7.675 5.915 2.365 1.00 0.00 H new ATOM 0 HB ILE A 65 8.071 4.789 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.447 5.045 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.378 3.560 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.590 6.643 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.071 7.233 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.536 7.198 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.614 3.509 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.220 3.475 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.275 4.982 6.131 1.00 0.00 H new ATOM 998 N SER A 66 10.570 5.115 3.681 1.00 0.00 N ATOM 999 CA SER A 66 11.922 5.594 3.941 1.00 0.00 C ATOM 1000 C SER A 66 12.661 5.883 2.639 1.00 0.00 C ATOM 1001 O SER A 66 13.514 6.768 2.579 1.00 0.00 O ATOM 1002 CB SER A 66 12.699 4.565 4.764 1.00 0.00 C ATOM 1003 OG SER A 66 13.944 5.088 5.194 1.00 0.00 O ATOM 0 H SER A 66 10.449 4.109 3.795 1.00 0.00 H new ATOM 0 HA SER A 66 11.847 6.523 4.507 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.108 4.267 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.865 3.668 4.167 1.00 0.00 H new ATOM 0 HG SER A 66 14.420 4.411 5.719 1.00 0.00 H new ATOM 1009 N MET A 67 12.329 5.128 1.596 1.00 0.00 N ATOM 1010 CA MET A 67 12.963 5.302 0.294 1.00 0.00 C ATOM 1011 C MET A 67 12.317 6.450 -0.477 1.00 0.00 C ATOM 1012 O MET A 67 13.001 7.362 -0.940 1.00 0.00 O ATOM 1013 CB MET A 67 12.870 4.010 -0.520 1.00 0.00 C ATOM 1014 CG MET A 67 13.852 2.939 -0.074 1.00 0.00 C ATOM 1015 SD MET A 67 13.184 1.273 -0.242 1.00 0.00 S ATOM 1016 CE MET A 67 12.628 1.301 -1.943 1.00 0.00 C ATOM 0 H MET A 67 11.625 4.390 1.627 1.00 0.00 H new ATOM 0 HA MET A 67 14.013 5.544 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.857 3.616 -0.446 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.047 4.239 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.766 3.021 -0.663 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.126 3.113 0.966 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.173 0.343 -2.193 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.894 2.096 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 67 13.478 1.481 -2.601 1.00 0.00 H new ATOM 1026 N TYR A 68 10.996 6.396 -0.611 1.00 0.00 N ATOM 1027 CA TYR A 68 10.257 7.432 -1.326 1.00 0.00 C ATOM 1028 C TYR A 68 9.475 8.310 -0.357 1.00 0.00 C ATOM 1029 O TYR A 68 9.772 9.494 -0.198 1.00 0.00 O ATOM 1030 CB TYR A 68 9.305 6.799 -2.341 1.00 0.00 C ATOM 1031 CG TYR A 68 9.960 5.761 -3.224 1.00 0.00 C ATOM 1032 CD1 TYR A 68 10.959 6.116 -4.122 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.580 4.426 -3.159 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.560 5.170 -4.931 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.177 3.475 -3.964 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.165 3.852 -4.848 1.00 0.00 C ATOM 1037 OH TYR A 68 11.761 2.907 -5.651 1.00 0.00 O ATOM 0 H TYR A 68 10.415 5.647 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 68 10.977 8.058 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.474 6.337 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.884 7.584 -2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.271 7.148 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.806 4.127 -2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.335 5.462 -5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.871 2.441 -3.901 1.00 0.00 H new ATOM 0 HH TYR A 68 11.760 2.041 -5.193 1.00 0.00 H new ATOM 1047 N GLY A 69 8.472 7.724 0.289 1.00 0.00 N ATOM 1048 CA GLY A 69 7.663 8.467 1.234 1.00 0.00 C ATOM 1049 C GLY A 69 6.318 7.816 1.486 1.00 0.00 C ATOM 1050 O GLY A 69 5.902 6.927 0.742 1.00 0.00 O ATOM 0 H GLY A 69 8.206 6.746 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.202 8.556 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.509 9.478 0.858 1.00 0.00 H new ATOM 1054 N ALA A 70 5.635 8.258 2.537 1.00 0.00 N ATOM 1055 CA ALA A 70 4.329 7.712 2.886 1.00 0.00 C ATOM 1056 C ALA A 70 3.325 7.918 1.755 1.00 0.00 C ATOM 1057 O ALA A 70 2.394 7.131 1.588 1.00 0.00 O ATOM 1058 CB ALA A 70 3.819 8.349 4.169 1.00 0.00 C ATOM 0 H ALA A 70 5.965 8.993 3.162 1.00 0.00 H new ATOM 0 HA ALA A 70 4.442 6.639 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.843 7.933 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.519 8.145 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.729 9.426 4.030 1.00 0.00 H new ATOM 1064 N GLN A 71 3.520 8.982 0.982 1.00 0.00 N ATOM 1065 CA GLN A 71 2.631 9.292 -0.130 1.00 0.00 C ATOM 1066 C GLN A 71 2.886 8.361 -1.312 1.00 0.00 C ATOM 1067 O GLN A 71 1.956 7.779 -1.869 1.00 0.00 O ATOM 1068 CB GLN A 71 2.813 10.747 -0.566 1.00 0.00 C ATOM 1069 CG GLN A 71 1.915 11.722 0.177 1.00 0.00 C ATOM 1070 CD GLN A 71 2.618 12.390 1.342 1.00 0.00 C ATOM 1071 OE1 GLN A 71 2.505 11.948 2.486 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.349 13.461 1.057 1.00 0.00 N ATOM 0 H GLN A 71 4.286 9.644 1.106 1.00 0.00 H new ATOM 0 HA GLN A 71 1.606 9.145 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.853 11.036 -0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.614 10.825 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.562 12.486 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.035 11.193 0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.414 13.792 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.845 13.952 1.800 1.00 0.00 H new ATOM 1081 N GLU A 72 4.153 8.227 -1.691 1.00 0.00 N ATOM 1082 CA GLU A 72 4.531 7.370 -2.809 1.00 0.00 C ATOM 1083 C GLU A 72 4.473 5.896 -2.416 1.00 0.00 C ATOM 1084 O GLU A 72 4.250 5.028 -3.261 1.00 0.00 O ATOM 1085 CB GLU A 72 5.937 7.728 -3.298 1.00 0.00 C ATOM 1086 CG GLU A 72 5.982 8.157 -4.756 1.00 0.00 C ATOM 1087 CD GLU A 72 7.269 8.874 -5.113 1.00 0.00 C ATOM 1088 OE1 GLU A 72 7.779 9.635 -4.264 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.765 8.677 -6.242 1.00 0.00 O ATOM 0 H GLU A 72 4.935 8.701 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 72 3.819 7.535 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.335 8.532 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.591 6.867 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.871 7.279 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.136 8.812 -4.965 1.00 0.00 H new ATOM 1096 N ALA A 73 4.677 5.618 -1.132 1.00 0.00 N ATOM 1097 CA ALA A 73 4.650 4.248 -0.630 1.00 0.00 C ATOM 1098 C ALA A 73 3.344 3.548 -0.998 1.00 0.00 C ATOM 1099 O ALA A 73 3.308 2.328 -1.156 1.00 0.00 O ATOM 1100 CB ALA A 73 4.850 4.235 0.878 1.00 0.00 C ATOM 0 H ALA A 73 4.863 6.324 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 73 5.467 3.701 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.828 3.207 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.813 4.684 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.053 4.805 1.356 1.00 0.00 H new ATOM 1106 N VAL A 74 2.276 4.326 -1.133 1.00 0.00 N ATOM 1107 CA VAL A 74 0.971 3.779 -1.481 1.00 0.00 C ATOM 1108 C VAL A 74 0.796 3.690 -2.995 1.00 0.00 C ATOM 1109 O VAL A 74 0.062 2.839 -3.495 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.171 4.628 -0.894 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.511 3.937 -1.094 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.077 4.909 0.580 1.00 0.00 C ATOM 0 H VAL A 74 2.289 5.338 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 74 0.926 2.778 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.199 5.580 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.305 4.553 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.691 3.793 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.499 2.969 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.740 5.510 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.134 3.967 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.016 5.451 0.694 1.00 0.00 H new ATOM 1122 N ARG A 75 1.475 4.575 -3.718 1.00 0.00 N ATOM 1123 CA ARG A 75 1.393 4.597 -5.174 1.00 0.00 C ATOM 1124 C ARG A 75 2.139 3.411 -5.779 1.00 0.00 C ATOM 1125 O ARG A 75 1.767 2.905 -6.837 1.00 0.00 O ATOM 1126 CB ARG A 75 1.965 5.908 -5.717 1.00 0.00 C ATOM 1127 CG ARG A 75 0.900 6.901 -6.157 1.00 0.00 C ATOM 1128 CD ARG A 75 0.768 6.945 -7.671 1.00 0.00 C ATOM 1129 NE ARG A 75 -0.315 7.826 -8.100 1.00 0.00 N ATOM 1130 CZ ARG A 75 -0.798 7.858 -9.341 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -0.297 7.060 -10.275 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -1.784 8.690 -9.647 1.00 0.00 N ATOM 0 H ARG A 75 2.088 5.286 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 75 0.343 4.523 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.585 6.370 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.616 5.688 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.058 6.627 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.151 7.894 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.707 7.286 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.588 5.939 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.726 8.454 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.461 6.418 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.670 7.088 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.172 9.305 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.154 8.715 -10.597 1.00 0.00 H new ATOM 1146 N VAL A 76 3.196 2.975 -5.100 1.00 0.00 N ATOM 1147 CA VAL A 76 3.997 1.850 -5.572 1.00 0.00 C ATOM 1148 C VAL A 76 3.209 0.546 -5.508 1.00 0.00 C ATOM 1149 O VAL A 76 3.051 -0.145 -6.514 1.00 0.00 O ATOM 1150 CB VAL A 76 5.288 1.696 -4.749 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.201 0.652 -5.376 1.00 0.00 C ATOM 1152 CG2 VAL A 76 6.004 3.033 -4.621 1.00 0.00 C ATOM 0 H VAL A 76 3.518 3.383 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 76 4.258 2.062 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 76 5.020 1.357 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.109 0.557 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.687 -0.308 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.462 0.958 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.914 2.904 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.260 3.405 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.351 3.749 -4.122 1.00 0.00 H new ATOM 1162 N VAL A 77 2.720 0.214 -4.318 1.00 0.00 N ATOM 1163 CA VAL A 77 1.951 -1.010 -4.121 1.00 0.00 C ATOM 1164 C VAL A 77 0.720 -1.041 -5.022 1.00 0.00 C ATOM 1165 O VAL A 77 0.413 -2.063 -5.635 1.00 0.00 O ATOM 1166 CB VAL A 77 1.502 -1.162 -2.656 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.883 -2.532 -2.426 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.674 -0.934 -1.713 1.00 0.00 C ATOM 0 H VAL A 77 2.842 0.775 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 77 2.609 -1.839 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 77 0.744 -0.407 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.572 -2.621 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.016 -2.653 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.617 -3.305 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.338 -1.045 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.456 -1.664 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.069 0.071 -1.860 1.00 0.00 H new ATOM 1178 N SER A 78 0.018 0.085 -5.096 1.00 0.00 N ATOM 1179 CA SER A 78 -1.180 0.186 -5.922 1.00 0.00 C ATOM 1180 C SER A 78 -0.863 -0.108 -7.385 1.00 0.00 C ATOM 1181 O SER A 78 -1.709 -0.613 -8.124 1.00 0.00 O ATOM 1182 CB SER A 78 -1.799 1.579 -5.792 1.00 0.00 C ATOM 1183 OG SER A 78 -2.394 1.756 -4.519 1.00 0.00 O ATOM 0 H SER A 78 0.258 0.940 -4.594 1.00 0.00 H new ATOM 0 HA SER A 78 -1.895 -0.557 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.031 2.337 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.549 1.721 -6.570 1.00 0.00 H new ATOM 0 HG SER A 78 -1.738 2.143 -3.902 1.00 0.00 H new ATOM 1189 N ARG A 79 0.360 0.210 -7.797 1.00 0.00 N ATOM 1190 CA ARG A 79 0.786 -0.020 -9.173 1.00 0.00 C ATOM 1191 C ARG A 79 1.075 -1.499 -9.415 1.00 0.00 C ATOM 1192 O ARG A 79 0.900 -2.002 -10.526 1.00 0.00 O ATOM 1193 CB ARG A 79 2.030 0.813 -9.489 1.00 0.00 C ATOM 1194 CG ARG A 79 1.719 2.134 -10.174 1.00 0.00 C ATOM 1195 CD ARG A 79 2.988 2.907 -10.495 1.00 0.00 C ATOM 1196 NE ARG A 79 3.840 2.191 -11.441 1.00 0.00 N ATOM 1197 CZ ARG A 79 4.808 2.768 -12.151 1.00 0.00 C ATOM 1198 NH1 ARG A 79 5.048 4.066 -12.027 1.00 0.00 N ATOM 1199 NH2 ARG A 79 5.538 2.043 -12.988 1.00 0.00 N ATOM 0 H ARG A 79 1.073 0.627 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.026 0.285 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.569 1.012 -8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.695 0.230 -10.126 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.163 1.947 -11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.077 2.736 -9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.725 3.880 -10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.543 3.091 -9.575 1.00 0.00 H new ATOM 0 HE ARG A 79 3.685 1.191 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.490 4.629 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.791 4.502 -12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.358 1.044 -13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.279 2.484 -13.532 1.00 0.00 H new ATOM 1213 N SER A 80 1.519 -2.190 -8.371 1.00 0.00 N ATOM 1214 CA SER A 80 1.832 -3.611 -8.472 1.00 0.00 C ATOM 1215 C SER A 80 0.562 -4.454 -8.429 1.00 0.00 C ATOM 1216 O SER A 80 0.495 -5.524 -9.034 1.00 0.00 O ATOM 1217 CB SER A 80 2.775 -4.029 -7.342 1.00 0.00 C ATOM 1218 OG SER A 80 3.717 -4.985 -7.791 1.00 0.00 O ATOM 0 H SER A 80 1.670 -1.790 -7.445 1.00 0.00 H new ATOM 0 HA SER A 80 2.325 -3.781 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.297 -3.153 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.197 -4.444 -6.516 1.00 0.00 H new ATOM 0 HG SER A 80 4.309 -5.234 -7.051 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.443 -3.967 -7.707 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.710 -4.677 -7.584 1.00 0.00 C ATOM 1226 C LEU A 81 -2.383 -4.832 -8.945 1.00 0.00 C ATOM 1227 O LEU A 81 -3.086 -5.812 -9.193 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.643 -3.937 -6.624 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.188 -3.922 -5.163 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.056 -2.979 -4.345 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.226 -5.326 -4.580 1.00 0.00 C ATOM 0 H LEU A 81 -0.404 -3.084 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.502 -5.670 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.750 -2.908 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.631 -4.394 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.160 -3.562 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.718 -2.981 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.979 -1.970 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.094 -3.309 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.899 -5.297 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.244 -5.713 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.562 -5.975 -5.151 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.163 -3.860 -9.824 1.00 0.00 N ATOM 1244 CA LEU A 82 -2.749 -3.889 -11.158 1.00 0.00 C ATOM 1245 C LEU A 82 -2.272 -5.110 -11.938 1.00 0.00 C ATOM 1246 O LEU A 82 -3.027 -5.702 -12.707 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.395 -2.612 -11.922 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.265 -1.398 -11.591 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -2.874 -0.209 -12.456 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -4.737 -1.732 -11.776 1.00 0.00 C ATOM 0 H LEU A 82 -1.583 -3.042 -9.636 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.832 -3.951 -11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.354 -2.361 -11.717 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.470 -2.813 -12.991 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.101 -1.131 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.504 0.645 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.830 0.045 -12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.008 -0.464 -13.507 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.342 -0.857 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.916 -2.025 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.010 -2.554 -11.114 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.012 -5.482 -11.733 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.433 -6.632 -12.416 1.00 0.00 C ATOM 1264 C ALA A 83 -0.979 -7.938 -11.851 1.00 0.00 C ATOM 1265 O ALA A 83 -1.143 -8.920 -12.574 1.00 0.00 O ATOM 1266 CB ALA A 83 1.084 -6.601 -12.309 1.00 0.00 C ATOM 0 H ALA A 83 -0.373 -5.003 -11.099 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.713 -6.577 -13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.503 -7.466 -12.824 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.463 -5.687 -12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.375 -6.627 -11.259 1.00 0.00 H new ATOM 1272 N MET A 84 -1.259 -7.943 -10.551 1.00 0.00 N ATOM 1273 CA MET A 84 -1.787 -9.129 -9.886 1.00 0.00 C ATOM 1274 C MET A 84 -3.312 -9.189 -9.979 1.00 0.00 C ATOM 1275 O MET A 84 -3.935 -10.122 -9.473 1.00 0.00 O ATOM 1276 CB MET A 84 -1.357 -9.148 -8.419 1.00 0.00 C ATOM 1277 CG MET A 84 0.149 -9.249 -8.228 1.00 0.00 C ATOM 1278 SD MET A 84 0.674 -10.879 -7.664 1.00 0.00 S ATOM 1279 CE MET A 84 0.191 -10.812 -5.940 1.00 0.00 C ATOM 0 H MET A 84 -1.129 -7.139 -9.937 1.00 0.00 H new ATOM 0 HA MET A 84 -1.380 -10.003 -10.394 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.717 -8.242 -7.932 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.836 -9.990 -7.919 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.646 -9.018 -9.170 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.470 -8.499 -7.505 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.770 -11.539 -5.371 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.379 -9.812 -5.548 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.870 -11.044 -5.850 1.00 0.00 H new ATOM 1289 N ASN A 85 -3.911 -8.191 -10.627 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.362 -8.141 -10.779 1.00 0.00 C ATOM 1291 C ASN A 85 -6.045 -8.039 -9.419 1.00 0.00 C ATOM 1292 O ASN A 85 -6.549 -9.029 -8.888 1.00 0.00 O ATOM 1293 CB ASN A 85 -5.860 -9.380 -11.530 1.00 0.00 C ATOM 1294 CG ASN A 85 -6.598 -9.024 -12.807 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -7.726 -8.531 -12.769 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -5.964 -9.272 -13.947 1.00 0.00 N ATOM 0 H ASN A 85 -3.415 -7.409 -11.054 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.615 -7.253 -11.358 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.012 -10.021 -11.770 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.520 -9.955 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.411 -9.053 -14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.030 -9.681 -13.932 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.057 -6.834 -8.859 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.677 -6.600 -7.560 1.00 0.00 C ATOM 1305 C LEU A 86 -7.279 -5.200 -7.491 1.00 0.00 C ATOM 1306 O LEU A 86 -6.605 -4.209 -7.768 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.650 -6.782 -6.441 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.976 -8.154 -6.396 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.756 -8.122 -5.490 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.962 -9.216 -5.931 1.00 0.00 C ATOM 0 H LEU A 86 -5.644 -6.004 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.478 -7.328 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.879 -6.019 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.142 -6.605 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.646 -8.409 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.291 -9.107 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.042 -7.390 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.060 -7.845 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.466 -10.186 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.323 -8.966 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.804 -9.258 -6.622 1.00 0.00 H new ATOM 1322 N MET A 87 -8.553 -5.126 -7.119 1.00 0.00 N ATOM 1323 CA MET A 87 -9.247 -3.847 -7.015 1.00 0.00 C ATOM 1324 C MET A 87 -9.567 -3.517 -5.560 1.00 0.00 C ATOM 1325 O MET A 87 -9.618 -2.349 -5.176 1.00 0.00 O ATOM 1326 CB MET A 87 -10.534 -3.874 -7.840 1.00 0.00 C ATOM 1327 CG MET A 87 -10.328 -3.507 -9.301 1.00 0.00 C ATOM 1328 SD MET A 87 -10.976 -1.874 -9.709 1.00 0.00 S ATOM 1329 CE MET A 87 -9.520 -0.862 -9.466 1.00 0.00 C ATOM 0 H MET A 87 -9.126 -5.937 -6.885 1.00 0.00 H new ATOM 0 HA MET A 87 -8.589 -3.072 -7.407 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.972 -4.871 -7.783 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.253 -3.184 -7.399 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.263 -3.539 -9.532 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.813 -4.253 -9.930 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.761 0.179 -9.680 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.183 -0.952 -8.433 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.728 -1.197 -10.136 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.785 -4.552 -4.756 1.00 0.00 N ATOM 1340 CA GLU A 88 -10.102 -4.371 -3.344 1.00 0.00 C ATOM 1341 C GLU A 88 -8.987 -3.618 -2.625 1.00 0.00 C ATOM 1342 O GLU A 88 -9.240 -2.653 -1.905 1.00 0.00 O ATOM 1343 CB GLU A 88 -10.332 -5.726 -2.674 1.00 0.00 C ATOM 1344 CG GLU A 88 -11.207 -5.651 -1.433 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.978 -6.933 -1.186 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -11.409 -8.021 -1.411 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -13.151 -6.848 -0.766 1.00 0.00 O ATOM 0 H GLU A 88 -9.748 -5.526 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.015 -3.780 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.793 -6.404 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.368 -6.156 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.584 -5.433 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.909 -4.823 -1.537 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.752 -4.068 -2.823 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.599 -3.437 -2.192 1.00 0.00 C ATOM 1356 C LEU A 89 -6.332 -2.060 -2.793 1.00 0.00 C ATOM 1357 O LEU A 89 -5.907 -1.140 -2.096 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.360 -4.321 -2.345 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.213 -5.420 -1.292 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.919 -6.191 -1.500 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.261 -4.823 0.107 1.00 0.00 C ATOM 0 H LEU A 89 -7.524 -4.867 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.821 -3.313 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.383 -4.785 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.474 -3.687 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.046 -6.115 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.833 -6.968 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.923 -6.649 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.072 -5.509 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.155 -5.618 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.448 -4.107 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.215 -4.316 0.254 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.586 -1.927 -4.091 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.374 -0.662 -4.785 1.00 0.00 C ATOM 1375 C VAL A 90 -7.453 0.353 -4.424 1.00 0.00 C ATOM 1376 O VAL A 90 -7.218 1.561 -4.457 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.356 -0.856 -6.313 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -5.964 0.436 -7.013 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.412 -1.985 -6.697 1.00 0.00 C ATOM 0 H VAL A 90 -6.939 -2.679 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.404 -0.284 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.361 -1.126 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.957 0.278 -8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.683 1.217 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.970 0.741 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.413 -2.107 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.403 -1.747 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.743 -2.911 -6.227 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.638 -0.143 -4.080 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.751 0.724 -3.713 1.00 0.00 C ATOM 1391 C ASP A 91 -9.478 1.426 -2.387 1.00 0.00 C ATOM 1392 O ASP A 91 -9.879 2.573 -2.186 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.047 -0.086 -3.622 1.00 0.00 C ATOM 1394 CG ASP A 91 -11.940 0.114 -4.831 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.019 1.258 -5.327 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -12.558 -0.872 -5.281 1.00 0.00 O ATOM 0 H ASP A 91 -8.851 -1.140 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.861 1.483 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.805 -1.144 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.590 0.202 -2.721 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.793 0.731 -1.485 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.466 1.290 -0.178 1.00 0.00 C ATOM 1403 C TYR A 92 -7.219 2.165 -0.258 1.00 0.00 C ATOM 1404 O TYR A 92 -7.076 3.128 0.496 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.252 0.169 0.840 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.973 0.669 2.240 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.959 1.309 2.979 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.722 0.501 2.821 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.707 1.768 4.259 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.462 0.955 4.100 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.458 1.589 4.814 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.204 2.045 6.087 1.00 0.00 O ATOM 0 H TYR A 92 -8.454 -0.219 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.303 1.909 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.137 -0.467 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.419 -0.454 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.939 1.451 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.940 0.007 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.485 2.264 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.485 0.814 4.538 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.794 1.329 6.615 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.321 1.825 -1.176 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.087 2.581 -1.355 1.00 0.00 C ATOM 1424 C LEU A 93 -5.308 3.774 -2.279 1.00 0.00 C ATOM 1425 O LEU A 93 -4.629 4.796 -2.164 1.00 0.00 O ATOM 1426 CB LEU A 93 -3.989 1.679 -1.922 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.605 0.492 -1.037 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.732 -0.488 -1.807 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -2.892 0.973 0.217 1.00 0.00 C ATOM 0 H LEU A 93 -6.424 1.031 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.774 2.953 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.315 1.300 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.099 2.283 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.517 -0.024 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.469 -1.326 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.278 -0.857 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.823 0.016 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.626 0.116 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.988 1.513 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.551 1.635 0.779 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.260 3.638 -3.197 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.570 4.706 -4.142 1.00 0.00 C ATOM 1443 C ASN A 94 -6.963 5.986 -3.411 1.00 0.00 C ATOM 1444 O ASN A 94 -6.422 7.059 -3.683 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.700 4.273 -5.079 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.180 3.679 -6.374 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -5.988 3.404 -6.510 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -8.075 3.480 -7.335 1.00 0.00 N ATOM 0 H ASN A 94 -6.830 2.799 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.674 4.907 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.328 3.540 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.331 5.132 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.784 3.085 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.053 3.723 -7.179 1.00 0.00 H new ATOM 1455 N GLN A 95 -7.906 5.868 -2.482 1.00 0.00 N ATOM 1456 CA GLN A 95 -8.369 7.016 -1.713 1.00 0.00 C ATOM 1457 C GLN A 95 -7.257 7.557 -0.821 1.00 0.00 C ATOM 1458 O GLN A 95 -7.178 8.759 -0.569 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.582 6.634 -0.863 1.00 0.00 C ATOM 1460 CG GLN A 95 -9.367 5.383 -0.024 1.00 0.00 C ATOM 1461 CD GLN A 95 -9.589 5.627 1.456 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -10.348 4.910 2.108 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -8.925 6.643 1.994 1.00 0.00 N ATOM 0 H GLN A 95 -8.364 4.988 -2.244 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.660 7.798 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.830 7.466 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.440 6.480 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.045 4.601 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.353 5.016 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.306 7.211 1.416 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.034 6.855 2.986 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.399 6.661 -0.344 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.291 7.048 0.520 1.00 0.00 C ATOM 1474 C VAL A 96 -4.100 7.535 -0.299 1.00 0.00 C ATOM 1475 O VAL A 96 -3.310 6.735 -0.799 1.00 0.00 O ATOM 1476 CB VAL A 96 -4.838 5.878 1.413 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -3.815 6.350 2.435 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.033 5.238 2.103 1.00 0.00 C ATOM 0 H VAL A 96 -6.450 5.662 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.653 7.859 1.152 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.366 5.126 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.507 5.509 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.946 6.757 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.258 7.123 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.693 4.413 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.536 5.981 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.728 4.861 1.352 1.00 0.00 H new