USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 59 GLN : amide:sc= -5.42! C(o=-5.4!,f=-4.3!) USER MOD Set 1.2: A 96 TYR OH : rot 4:sc= 0.0147 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 22 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.33) USER MOD Single : A 23 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.38) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 0.909 (180deg=0.537) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -13:sc= -0.791 USER MOD Single : A 57 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2) USER MOD Single : A 63 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.69) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 71 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.6!) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0214 (180deg=-0.254) USER MOD Single : A 74 LYS NZ :NH3+ -117:sc= 0.0121 (180deg=-0.0363) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.0111 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.37) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 73:sc= -0.314 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 105 MET CE :methyl 163:sc= -2.13 (180deg=-2.91) USER MOD Single : A 107 CYS SG : rot 0:sc= 0.0628 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.161 -4.355 1.453 1.00 43.33 N ATOM 148 CA GLN A 12 15.136 -3.226 2.375 1.00 1.40 C ATOM 149 C GLN A 12 13.769 -2.549 2.370 1.00 44.34 C ATOM 150 O GLN A 12 12.977 -2.702 1.440 1.00 62.23 O ATOM 151 CB GLN A 12 16.221 -2.213 2.005 1.00 63.22 C ATOM 152 CG GLN A 12 17.544 -2.453 2.714 1.00 3.22 C ATOM 153 CD GLN A 12 18.721 -1.850 1.973 1.00 65.52 C ATOM 154 OE1 GLN A 12 19.372 -2.519 1.169 1.00 32.30 O ATOM 155 NE2 GLN A 12 19.002 -0.580 2.239 1.00 21.22 N ATOM 0 HA GLN A 12 15.330 -3.605 3.378 1.00 1.40 H new ATOM 0 HB2 GLN A 12 16.384 -2.245 0.928 1.00 63.22 H new ATOM 0 HB3 GLN A 12 15.867 -1.210 2.244 1.00 63.22 H new ATOM 0 HG2 GLN A 12 17.496 -2.030 3.717 1.00 3.22 H new ATOM 0 HG3 GLN A 12 17.702 -3.526 2.827 1.00 3.22 H new ATOM 0 HE21 GLN A 12 18.437 -0.063 2.912 1.00 21.22 H new ATOM 0 HE22 GLN A 12 19.783 -0.122 1.770 1.00 21.22 H new ATOM 164 N PRO A 13 13.484 -1.781 3.432 1.00 23.42 N ATOM 165 CA PRO A 13 12.213 -1.065 3.573 1.00 31.53 C ATOM 166 C PRO A 13 12.084 0.087 2.583 1.00 14.02 C ATOM 167 O PRO A 13 13.077 0.711 2.208 1.00 70.32 O ATOM 168 CB PRO A 13 12.262 -0.535 5.008 1.00 1.22 C ATOM 169 CG PRO A 13 13.714 -0.432 5.324 1.00 3.34 C ATOM 170 CD PRO A 13 14.381 -1.553 4.577 1.00 24.34 C ATOM 0 HA PRO A 13 11.357 -1.709 3.371 1.00 31.53 H new ATOM 0 HB2 PRO A 13 11.769 0.434 5.089 1.00 1.22 H new ATOM 0 HB3 PRO A 13 11.754 -1.210 5.697 1.00 1.22 H new ATOM 0 HG2 PRO A 13 14.113 0.534 5.015 1.00 3.34 H new ATOM 0 HG3 PRO A 13 13.887 -0.520 6.397 1.00 3.34 H new ATOM 0 HD2 PRO A 13 15.385 -1.278 4.253 1.00 24.34 H new ATOM 0 HD3 PRO A 13 14.479 -2.446 5.195 1.00 24.34 H new ATOM 178 N HIS A 14 10.853 0.366 2.164 1.00 64.43 N ATOM 179 CA HIS A 14 10.595 1.445 1.217 1.00 35.23 C ATOM 180 C HIS A 14 9.395 2.278 1.658 1.00 34.30 C ATOM 181 O HIS A 14 8.761 1.985 2.673 1.00 43.34 O ATOM 182 CB HIS A 14 10.350 0.877 -0.181 1.00 42.43 C ATOM 183 CG HIS A 14 11.523 0.130 -0.738 1.00 12.12 C ATOM 184 ND1 HIS A 14 11.651 -1.240 -0.653 1.00 74.35 N ATOM 185 CD2 HIS A 14 12.624 0.570 -1.391 1.00 31.33 C ATOM 186 CE1 HIS A 14 12.780 -1.611 -1.229 1.00 24.11 C ATOM 187 NE2 HIS A 14 13.390 -0.532 -1.685 1.00 13.41 N ATOM 0 H HIS A 14 10.020 -0.140 2.465 1.00 64.43 H new ATOM 0 HA HIS A 14 11.473 2.090 1.190 1.00 35.23 H new ATOM 0 HB2 HIS A 14 9.488 0.211 -0.148 1.00 42.43 H new ATOM 0 HB3 HIS A 14 10.096 1.694 -0.857 1.00 42.43 H new ATOM 0 HD2 HIS A 14 12.857 1.596 -1.635 1.00 31.33 H new ATOM 0 HE1 HIS A 14 13.143 -2.625 -1.313 1.00 24.11 H new ATOM 0 HE2 HIS A 14 14.284 -0.519 -2.176 1.00 13.41 H new ATOM 195 N LYS A 15 9.088 3.317 0.889 1.00 14.14 N ATOM 196 CA LYS A 15 7.964 4.193 1.199 1.00 32.11 C ATOM 197 C LYS A 15 6.783 3.910 0.276 1.00 32.22 C ATOM 198 O LYS A 15 5.858 4.716 0.171 1.00 64.05 O ATOM 199 CB LYS A 15 8.383 5.659 1.073 1.00 43.22 C ATOM 200 CG LYS A 15 9.115 5.973 -0.221 1.00 11.23 C ATOM 201 CD LYS A 15 10.564 6.353 0.036 1.00 32.50 C ATOM 202 CE LYS A 15 11.343 6.488 -1.263 1.00 40.11 C ATOM 203 NZ LYS A 15 12.766 6.856 -1.021 1.00 34.21 N ATOM 0 H LYS A 15 9.602 3.573 0.046 1.00 14.14 H new ATOM 0 HA LYS A 15 7.656 3.997 2.226 1.00 32.11 H new ATOM 0 HB2 LYS A 15 7.496 6.289 1.141 1.00 43.22 H new ATOM 0 HB3 LYS A 15 9.024 5.919 1.916 1.00 43.22 H new ATOM 0 HG2 LYS A 15 9.077 5.107 -0.881 1.00 11.23 H new ATOM 0 HG3 LYS A 15 8.610 6.789 -0.737 1.00 11.23 H new ATOM 0 HD2 LYS A 15 10.603 7.294 0.584 1.00 32.50 H new ATOM 0 HD3 LYS A 15 11.033 5.597 0.666 1.00 32.50 H new ATOM 0 HE2 LYS A 15 11.299 5.547 -1.812 1.00 40.11 H new ATOM 0 HE3 LYS A 15 10.874 7.245 -1.891 1.00 40.11 H new ATOM 0 HZ1 LYS A 15 13.263 6.938 -1.931 1.00 34.21 H new ATOM 0 HZ2 LYS A 15 12.809 7.766 -0.520 1.00 34.21 H new ATOM 0 HZ3 LYS A 15 13.221 6.121 -0.443 1.00 34.21 H new ATOM 217 N ARG A 16 6.820 2.760 -0.389 1.00 33.33 N ATOM 218 CA ARG A 16 5.752 2.371 -1.302 1.00 62.33 C ATOM 219 C ARG A 16 5.383 0.902 -1.113 1.00 41.24 C ATOM 220 O ARG A 16 6.236 0.020 -1.214 1.00 53.01 O ATOM 221 CB ARG A 16 6.176 2.619 -2.751 1.00 62.21 C ATOM 222 CG ARG A 16 6.779 3.995 -2.982 1.00 61.21 C ATOM 223 CD ARG A 16 6.833 4.338 -4.463 1.00 12.04 C ATOM 224 NE ARG A 16 7.730 3.451 -5.198 1.00 73.40 N ATOM 225 CZ ARG A 16 9.054 3.504 -5.106 1.00 72.45 C ATOM 226 NH1 ARG A 16 9.632 4.396 -4.315 1.00 13.52 N ATOM 227 NH2 ARG A 16 9.803 2.662 -5.807 1.00 72.14 N ATOM 0 H ARG A 16 7.578 2.082 -0.313 1.00 33.33 H new ATOM 0 HA ARG A 16 4.876 2.980 -1.077 1.00 62.33 H new ATOM 0 HB2 ARG A 16 6.902 1.860 -3.043 1.00 62.21 H new ATOM 0 HB3 ARG A 16 5.309 2.498 -3.400 1.00 62.21 H new ATOM 0 HG2 ARG A 16 6.189 4.745 -2.455 1.00 61.21 H new ATOM 0 HG3 ARG A 16 7.785 4.028 -2.563 1.00 61.21 H new ATOM 0 HD2 ARG A 16 5.831 4.273 -4.887 1.00 12.04 H new ATOM 0 HD3 ARG A 16 7.164 5.370 -4.584 1.00 12.04 H new ATOM 0 HE ARG A 16 7.317 2.752 -5.816 1.00 73.40 H new ATOM 0 HH11 ARG A 16 9.060 5.045 -3.774 1.00 13.52 H new ATOM 0 HH12 ARG A 16 10.649 4.434 -4.247 1.00 13.52 H new ATOM 0 HH21 ARG A 16 9.362 1.974 -6.417 1.00 72.14 H new ATOM 0 HH22 ARG A 16 10.820 2.703 -5.736 1.00 72.14 H new ATOM 241 N TRP A 17 4.109 0.649 -0.839 1.00 32.21 N ATOM 242 CA TRP A 17 3.627 -0.713 -0.635 1.00 42.13 C ATOM 243 C TRP A 17 2.183 -0.855 -1.104 1.00 22.33 C ATOM 244 O TRP A 17 1.342 -0.003 -0.821 1.00 15.45 O ATOM 245 CB TRP A 17 3.738 -1.100 0.840 1.00 2.33 C ATOM 246 CG TRP A 17 5.147 -1.354 1.283 1.00 4.54 C ATOM 247 CD1 TRP A 17 5.985 -0.468 1.898 1.00 3.43 C ATOM 248 CD2 TRP A 17 5.883 -2.574 1.144 1.00 51.12 C ATOM 249 NE1 TRP A 17 7.198 -1.064 2.149 1.00 14.33 N ATOM 250 CE2 TRP A 17 7.160 -2.356 1.697 1.00 61.11 C ATOM 251 CE3 TRP A 17 5.587 -3.830 0.608 1.00 54.24 C ATOM 252 CZ2 TRP A 17 8.137 -3.348 1.727 1.00 50.35 C ATOM 253 CZ3 TRP A 17 6.557 -4.813 0.637 1.00 4.25 C ATOM 254 CH2 TRP A 17 7.820 -4.568 1.194 1.00 14.23 C ATOM 0 H TRP A 17 3.391 1.368 -0.753 1.00 32.21 H new ATOM 0 HA TRP A 17 4.249 -1.385 -1.227 1.00 42.13 H new ATOM 0 HB2 TRP A 17 3.311 -0.304 1.450 1.00 2.33 H new ATOM 0 HB3 TRP A 17 3.141 -1.994 1.019 1.00 2.33 H new ATOM 0 HD1 TRP A 17 5.732 0.551 2.150 1.00 3.43 H new ATOM 0 HE1 TRP A 17 7.997 -0.617 2.599 1.00 14.33 H new ATOM 0 HE3 TRP A 17 4.616 -4.029 0.178 1.00 54.24 H new ATOM 0 HZ2 TRP A 17 9.110 -3.161 2.156 1.00 50.35 H new ATOM 0 HZ3 TRP A 17 6.339 -5.787 0.224 1.00 4.25 H new ATOM 0 HH2 TRP A 17 8.557 -5.357 1.203 1.00 14.23 H new ATOM 265 N VAL A 18 1.902 -1.938 -1.822 1.00 24.23 N ATOM 266 CA VAL A 18 0.559 -2.192 -2.328 1.00 60.51 C ATOM 267 C VAL A 18 -0.110 -3.329 -1.564 1.00 33.22 C ATOM 268 O VAL A 18 0.558 -4.127 -0.905 1.00 54.23 O ATOM 269 CB VAL A 18 0.581 -2.540 -3.828 1.00 63.44 C ATOM 270 CG1 VAL A 18 1.151 -1.384 -4.636 1.00 73.34 C ATOM 271 CG2 VAL A 18 1.379 -3.813 -4.068 1.00 25.11 C ATOM 0 H VAL A 18 2.587 -2.653 -2.066 1.00 24.23 H new ATOM 0 HA VAL A 18 -0.012 -1.275 -2.183 1.00 60.51 H new ATOM 0 HB VAL A 18 -0.443 -2.713 -4.158 1.00 63.44 H new ATOM 0 HG11 VAL A 18 1.159 -1.648 -5.693 1.00 73.34 H new ATOM 0 HG12 VAL A 18 0.534 -0.498 -4.488 1.00 73.34 H new ATOM 0 HG13 VAL A 18 2.169 -1.177 -4.306 1.00 73.34 H new ATOM 0 HG21 VAL A 18 1.384 -4.044 -5.133 1.00 25.11 H new ATOM 0 HG22 VAL A 18 2.403 -3.671 -3.723 1.00 25.11 H new ATOM 0 HG23 VAL A 18 0.922 -4.637 -3.520 1.00 25.11 H new ATOM 281 N PHE A 19 -1.434 -3.398 -1.656 1.00 52.12 N ATOM 282 CA PHE A 19 -2.195 -4.437 -0.973 1.00 33.30 C ATOM 283 C PHE A 19 -3.231 -5.056 -1.907 1.00 62.33 C ATOM 284 O PHE A 19 -3.832 -4.367 -2.732 1.00 43.20 O ATOM 285 CB PHE A 19 -2.888 -3.862 0.264 1.00 24.14 C ATOM 286 CG PHE A 19 -3.658 -2.603 -0.011 1.00 11.41 C ATOM 287 CD1 PHE A 19 -3.015 -1.376 -0.052 1.00 21.14 C ATOM 288 CD2 PHE A 19 -5.026 -2.645 -0.228 1.00 61.14 C ATOM 289 CE1 PHE A 19 -3.721 -0.215 -0.305 1.00 61.11 C ATOM 290 CE2 PHE A 19 -5.737 -1.488 -0.483 1.00 10.42 C ATOM 291 CZ PHE A 19 -5.084 -0.271 -0.520 1.00 30.01 C ATOM 0 H PHE A 19 -2.002 -2.746 -2.197 1.00 52.12 H new ATOM 0 HA PHE A 19 -1.499 -5.216 -0.662 1.00 33.30 H new ATOM 0 HB2 PHE A 19 -3.566 -4.611 0.672 1.00 24.14 H new ATOM 0 HB3 PHE A 19 -2.139 -3.660 1.029 1.00 24.14 H new ATOM 0 HD1 PHE A 19 -1.949 -1.326 0.116 1.00 21.14 H new ATOM 0 HD2 PHE A 19 -5.542 -3.593 -0.197 1.00 61.14 H new ATOM 0 HE1 PHE A 19 -3.207 0.735 -0.335 1.00 61.11 H new ATOM 0 HE2 PHE A 19 -6.802 -1.535 -0.653 1.00 10.42 H new ATOM 0 HZ PHE A 19 -5.638 0.635 -0.717 1.00 30.01 H new ATOM 301 N THR A 20 -3.434 -6.363 -1.773 1.00 35.23 N ATOM 302 CA THR A 20 -4.395 -7.077 -2.605 1.00 0.23 C ATOM 303 C THR A 20 -4.974 -8.279 -1.868 1.00 64.52 C ATOM 304 O THR A 20 -4.235 -9.112 -1.342 1.00 24.54 O ATOM 305 CB THR A 20 -3.752 -7.555 -3.920 1.00 74.23 C ATOM 306 OG1 THR A 20 -2.715 -8.502 -3.643 1.00 22.23 O ATOM 307 CG2 THR A 20 -3.179 -6.382 -4.701 1.00 14.23 C ATOM 0 H THR A 20 -2.945 -6.949 -1.096 1.00 35.23 H new ATOM 0 HA THR A 20 -5.197 -6.376 -2.835 1.00 0.23 H new ATOM 0 HB THR A 20 -4.525 -8.030 -4.524 1.00 74.23 H new ATOM 0 HG1 THR A 20 -2.313 -8.802 -4.485 1.00 22.23 H new ATOM 0 HG21 THR A 20 -2.730 -6.745 -5.626 1.00 14.23 H new ATOM 0 HG22 THR A 20 -3.977 -5.677 -4.937 1.00 14.23 H new ATOM 0 HG23 THR A 20 -2.419 -5.882 -4.101 1.00 14.23 H new ATOM 315 N LEU A 21 -6.299 -8.365 -1.835 1.00 62.40 N ATOM 316 CA LEU A 21 -6.977 -9.468 -1.163 1.00 75.11 C ATOM 317 C LEU A 21 -8.198 -9.921 -1.957 1.00 74.13 C ATOM 318 O LEU A 21 -8.961 -9.100 -2.464 1.00 51.30 O ATOM 319 CB LEU A 21 -7.398 -9.050 0.247 1.00 74.50 C ATOM 320 CG LEU A 21 -8.013 -10.148 1.117 1.00 41.23 C ATOM 321 CD1 LEU A 21 -7.021 -10.610 2.173 1.00 71.12 C ATOM 322 CD2 LEU A 21 -9.297 -9.656 1.768 1.00 53.33 C ATOM 0 H LEU A 21 -6.925 -7.685 -2.265 1.00 62.40 H new ATOM 0 HA LEU A 21 -6.280 -10.303 -1.095 1.00 75.11 H new ATOM 0 HB2 LEU A 21 -6.524 -8.652 0.763 1.00 74.50 H new ATOM 0 HB3 LEU A 21 -8.117 -8.235 0.163 1.00 74.50 H new ATOM 0 HG LEU A 21 -8.255 -10.998 0.479 1.00 41.23 H new ATOM 0 HD11 LEU A 21 -7.476 -11.391 2.782 1.00 71.12 H new ATOM 0 HD12 LEU A 21 -6.128 -11.003 1.686 1.00 71.12 H new ATOM 0 HD13 LEU A 21 -6.747 -9.768 2.808 1.00 71.12 H new ATOM 0 HD21 LEU A 21 -9.721 -10.450 2.383 1.00 53.33 H new ATOM 0 HD22 LEU A 21 -9.079 -8.790 2.393 1.00 53.33 H new ATOM 0 HD23 LEU A 21 -10.012 -9.375 0.995 1.00 53.33 H new ATOM 334 N ASN A 22 -8.378 -11.234 -2.060 1.00 24.14 N ATOM 335 CA ASN A 22 -9.507 -11.797 -2.791 1.00 11.32 C ATOM 336 C ASN A 22 -10.753 -11.849 -1.911 1.00 64.42 C ATOM 337 O ASN A 22 -10.694 -12.278 -0.760 1.00 3.14 O ATOM 338 CB ASN A 22 -9.166 -13.200 -3.296 1.00 72.02 C ATOM 339 CG ASN A 22 -8.808 -14.149 -2.169 1.00 65.22 C ATOM 340 OD1 ASN A 22 -9.680 -14.780 -1.573 1.00 32.32 O ATOM 341 ND2 ASN A 22 -7.517 -14.254 -1.872 1.00 55.01 N ATOM 0 H ASN A 22 -7.756 -11.928 -1.646 1.00 24.14 H new ATOM 0 HA ASN A 22 -9.714 -11.152 -3.645 1.00 11.32 H new ATOM 0 HB2 ASN A 22 -10.016 -13.601 -3.849 1.00 72.02 H new ATOM 0 HB3 ASN A 22 -8.332 -13.139 -3.995 1.00 72.02 H new ATOM 0 HD21 ASN A 22 -7.215 -14.877 -1.123 1.00 55.01 H new ATOM 0 HD22 ASN A 22 -6.828 -13.711 -2.393 1.00 55.01 H new ATOM 348 N ASN A 23 -11.879 -11.411 -2.463 1.00 52.13 N ATOM 349 CA ASN A 23 -13.139 -11.408 -1.729 1.00 75.03 C ATOM 350 C ASN A 23 -12.979 -10.721 -0.376 1.00 75.14 C ATOM 351 O ASN A 23 -13.073 -11.346 0.680 1.00 33.31 O ATOM 352 CB ASN A 23 -13.641 -12.840 -1.531 1.00 12.32 C ATOM 353 CG ASN A 23 -14.930 -12.895 -0.733 1.00 62.41 C ATOM 354 OD1 ASN A 23 -15.075 -13.711 0.177 1.00 23.42 O ATOM 355 ND2 ASN A 23 -15.874 -12.025 -1.073 1.00 4.05 N ATOM 0 H ASN A 23 -11.945 -11.054 -3.416 1.00 52.13 H new ATOM 0 HA ASN A 23 -13.871 -10.851 -2.314 1.00 75.03 H new ATOM 0 HB2 ASN A 23 -13.799 -13.305 -2.504 1.00 12.32 H new ATOM 0 HB3 ASN A 23 -12.875 -13.423 -1.020 1.00 12.32 H new ATOM 0 HD21 ASN A 23 -16.763 -12.015 -0.573 1.00 4.05 H new ATOM 0 HD22 ASN A 23 -15.710 -11.366 -1.834 1.00 4.05 H new ATOM 362 N PRO A 24 -12.733 -9.403 -0.408 1.00 25.14 N ATOM 363 CA PRO A 24 -12.555 -8.602 0.807 1.00 14.02 C ATOM 364 C PRO A 24 -13.855 -8.439 1.589 1.00 64.41 C ATOM 365 O PRO A 24 -14.931 -8.321 1.004 1.00 33.41 O ATOM 366 CB PRO A 24 -12.080 -7.249 0.273 1.00 4.43 C ATOM 367 CG PRO A 24 -12.613 -7.181 -1.116 1.00 51.30 C ATOM 368 CD PRO A 24 -12.608 -8.593 -1.631 1.00 63.42 C ATOM 0 HA PRO A 24 -11.860 -9.068 1.505 1.00 14.02 H new ATOM 0 HB2 PRO A 24 -12.458 -6.428 0.883 1.00 4.43 H new ATOM 0 HB3 PRO A 24 -10.992 -7.179 0.283 1.00 4.43 H new ATOM 0 HG2 PRO A 24 -13.620 -6.765 -1.127 1.00 51.30 H new ATOM 0 HG3 PRO A 24 -11.995 -6.536 -1.740 1.00 51.30 H new ATOM 0 HD2 PRO A 24 -13.435 -8.773 -2.318 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -11.689 -8.820 -2.171 1.00 63.42 H new ATOM 376 N SER A 25 -13.746 -8.434 2.914 1.00 50.44 N ATOM 377 CA SER A 25 -14.913 -8.289 3.776 1.00 52.34 C ATOM 378 C SER A 25 -15.157 -6.822 4.117 1.00 14.03 C ATOM 379 O SER A 25 -14.248 -5.997 4.043 1.00 45.04 O ATOM 380 CB SER A 25 -14.729 -9.099 5.060 1.00 61.42 C ATOM 381 OG SER A 25 -15.630 -10.192 5.107 1.00 70.12 O ATOM 0 H SER A 25 -12.862 -8.529 3.413 1.00 50.44 H new ATOM 0 HA SER A 25 -15.781 -8.668 3.237 1.00 52.34 H new ATOM 0 HB2 SER A 25 -13.704 -9.466 5.119 1.00 61.42 H new ATOM 0 HB3 SER A 25 -14.887 -8.456 5.925 1.00 61.42 H new ATOM 0 HG SER A 25 -15.491 -10.695 5.937 1.00 70.12 H new ATOM 387 N GLU A 26 -16.393 -6.506 4.492 1.00 11.03 N ATOM 388 CA GLU A 26 -16.758 -5.139 4.845 1.00 44.23 C ATOM 389 C GLU A 26 -15.911 -4.633 6.009 1.00 32.03 C ATOM 390 O GLU A 26 -15.642 -3.437 6.122 1.00 51.14 O ATOM 391 CB GLU A 26 -18.242 -5.060 5.207 1.00 31.40 C ATOM 392 CG GLU A 26 -19.061 -4.220 4.242 1.00 42.14 C ATOM 393 CD GLU A 26 -20.200 -3.489 4.926 1.00 61.14 C ATOM 394 OE1 GLU A 26 -20.570 -3.889 6.049 1.00 15.13 O ATOM 395 OE2 GLU A 26 -20.721 -2.518 4.338 1.00 64.42 O ATOM 0 H GLU A 26 -17.158 -7.178 4.559 1.00 11.03 H new ATOM 0 HA GLU A 26 -16.569 -4.505 3.979 1.00 44.23 H new ATOM 0 HB2 GLU A 26 -18.654 -6.069 5.237 1.00 31.40 H new ATOM 0 HB3 GLU A 26 -18.341 -4.645 6.210 1.00 31.40 H new ATOM 0 HG2 GLU A 26 -18.410 -3.495 3.755 1.00 42.14 H new ATOM 0 HG3 GLU A 26 -19.465 -4.862 3.459 1.00 42.14 H new ATOM 402 N ASP A 27 -15.495 -5.552 6.873 1.00 33.25 N ATOM 403 CA ASP A 27 -14.679 -5.201 8.030 1.00 51.12 C ATOM 404 C ASP A 27 -13.243 -4.901 7.610 1.00 13.05 C ATOM 405 O ASP A 27 -12.674 -3.882 8.000 1.00 64.15 O ATOM 406 CB ASP A 27 -14.697 -6.334 9.057 1.00 15.10 C ATOM 407 CG ASP A 27 -15.918 -6.282 9.954 1.00 34.22 C ATOM 408 OD1 ASP A 27 -16.639 -5.263 9.917 1.00 4.12 O ATOM 409 OD2 ASP A 27 -16.153 -7.261 10.694 1.00 13.31 O ATOM 0 H ASP A 27 -15.709 -6.546 6.794 1.00 33.25 H new ATOM 0 HA ASP A 27 -15.102 -4.304 8.483 1.00 51.12 H new ATOM 0 HB2 ASP A 27 -14.672 -7.292 8.538 1.00 15.10 H new ATOM 0 HB3 ASP A 27 -13.797 -6.280 9.670 1.00 15.10 H new ATOM 414 N GLU A 28 -12.665 -5.796 6.816 1.00 61.12 N ATOM 415 CA GLU A 28 -11.295 -5.627 6.346 1.00 61.20 C ATOM 416 C GLU A 28 -11.172 -4.390 5.461 1.00 22.02 C ATOM 417 O GLU A 28 -10.267 -3.574 5.639 1.00 61.41 O ATOM 418 CB GLU A 28 -10.840 -6.867 5.574 1.00 75.44 C ATOM 419 CG GLU A 28 -9.676 -7.596 6.223 1.00 60.11 C ATOM 420 CD GLU A 28 -8.335 -7.176 5.654 1.00 44.10 C ATOM 421 OE1 GLU A 28 -8.167 -7.246 4.418 1.00 23.34 O ATOM 422 OE2 GLU A 28 -7.453 -6.777 6.444 1.00 73.25 O ATOM 0 H GLU A 28 -13.123 -6.645 6.485 1.00 61.12 H new ATOM 0 HA GLU A 28 -10.653 -5.495 7.217 1.00 61.20 H new ATOM 0 HB2 GLU A 28 -11.681 -7.554 5.480 1.00 75.44 H new ATOM 0 HB3 GLU A 28 -10.555 -6.571 4.564 1.00 75.44 H new ATOM 0 HG2 GLU A 28 -9.686 -7.407 7.296 1.00 60.11 H new ATOM 0 HG3 GLU A 28 -9.804 -8.670 6.088 1.00 60.11 H new ATOM 429 N ARG A 29 -12.088 -4.258 4.507 1.00 21.45 N ATOM 430 CA ARG A 29 -12.082 -3.123 3.593 1.00 4.45 C ATOM 431 C ARG A 29 -12.288 -1.814 4.351 1.00 64.11 C ATOM 432 O ARG A 29 -11.717 -0.782 3.997 1.00 62.32 O ATOM 433 CB ARG A 29 -13.172 -3.288 2.533 1.00 10.33 C ATOM 434 CG ARG A 29 -13.277 -2.110 1.579 1.00 41.52 C ATOM 435 CD ARG A 29 -14.706 -1.600 1.478 1.00 0.53 C ATOM 436 NE ARG A 29 -15.395 -2.130 0.305 1.00 33.43 N ATOM 437 CZ ARG A 29 -16.489 -1.584 -0.214 1.00 41.03 C ATOM 438 NH1 ARG A 29 -17.014 -0.496 0.332 1.00 34.33 N ATOM 439 NH2 ARG A 29 -17.059 -2.125 -1.283 1.00 61.43 N ATOM 0 H ARG A 29 -12.844 -4.924 4.347 1.00 21.45 H new ATOM 0 HA ARG A 29 -11.110 -3.090 3.101 1.00 4.45 H new ATOM 0 HB2 ARG A 29 -12.974 -4.193 1.959 1.00 10.33 H new ATOM 0 HB3 ARG A 29 -14.132 -3.429 3.030 1.00 10.33 H new ATOM 0 HG2 ARG A 29 -12.626 -1.305 1.920 1.00 41.52 H new ATOM 0 HG3 ARG A 29 -12.925 -2.408 0.591 1.00 41.52 H new ATOM 0 HD2 ARG A 29 -15.255 -1.879 2.377 1.00 0.53 H new ATOM 0 HD3 ARG A 29 -14.700 -0.511 1.433 1.00 0.53 H new ATOM 0 HE ARG A 29 -15.015 -2.965 -0.140 1.00 33.43 H new ATOM 0 HH11 ARG A 29 -16.578 -0.076 1.153 1.00 34.33 H new ATOM 0 HH12 ARG A 29 -17.854 -0.079 -0.069 1.00 34.33 H new ATOM 0 HH21 ARG A 29 -16.657 -2.961 -1.707 1.00 61.43 H new ATOM 0 HH22 ARG A 29 -17.899 -1.705 -1.681 1.00 61.43 H new ATOM 453 N LYS A 30 -13.108 -1.864 5.395 1.00 4.12 N ATOM 454 CA LYS A 30 -13.390 -0.684 6.204 1.00 4.02 C ATOM 455 C LYS A 30 -12.168 -0.281 7.023 1.00 25.23 C ATOM 456 O LYS A 30 -11.907 0.905 7.227 1.00 31.21 O ATOM 457 CB LYS A 30 -14.575 -0.950 7.134 1.00 14.44 C ATOM 458 CG LYS A 30 -14.902 0.216 8.051 1.00 11.34 C ATOM 459 CD LYS A 30 -14.898 -0.204 9.511 1.00 33.45 C ATOM 460 CE LYS A 30 -16.176 -0.942 9.882 1.00 22.13 C ATOM 461 NZ LYS A 30 -15.951 -1.923 10.980 1.00 13.54 N ATOM 0 H LYS A 30 -13.589 -2.710 5.701 1.00 4.12 H new ATOM 0 HA LYS A 30 -13.641 0.136 5.531 1.00 4.02 H new ATOM 0 HB2 LYS A 30 -15.453 -1.185 6.532 1.00 14.44 H new ATOM 0 HB3 LYS A 30 -14.360 -1.829 7.741 1.00 14.44 H new ATOM 0 HG2 LYS A 30 -14.175 1.014 7.899 1.00 11.34 H new ATOM 0 HG3 LYS A 30 -15.880 0.621 7.791 1.00 11.34 H new ATOM 0 HD2 LYS A 30 -14.037 -0.845 9.704 1.00 33.45 H new ATOM 0 HD3 LYS A 30 -14.788 0.677 10.144 1.00 33.45 H new ATOM 0 HE2 LYS A 30 -16.935 -0.222 10.188 1.00 22.13 H new ATOM 0 HE3 LYS A 30 -16.563 -1.461 9.005 1.00 22.13 H new ATOM 0 HZ1 LYS A 30 -16.845 -2.405 11.204 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 -15.245 -2.625 10.679 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 -15.605 -1.425 11.825 1.00 13.54 H new ATOM 475 N LYS A 31 -11.420 -1.275 7.490 1.00 63.42 N ATOM 476 CA LYS A 31 -10.223 -1.026 8.284 1.00 10.45 C ATOM 477 C LYS A 31 -9.187 -0.248 7.479 1.00 73.03 C ATOM 478 O LYS A 31 -8.687 0.785 7.926 1.00 73.33 O ATOM 479 CB LYS A 31 -9.622 -2.347 8.768 1.00 64.34 C ATOM 480 CG LYS A 31 -8.249 -2.196 9.401 1.00 52.35 C ATOM 481 CD LYS A 31 -7.718 -3.526 9.907 1.00 75.42 C ATOM 482 CE LYS A 31 -6.246 -3.704 9.570 1.00 2.40 C ATOM 483 NZ LYS A 31 -5.375 -2.851 10.426 1.00 63.24 N ATOM 0 H LYS A 31 -11.622 -2.262 7.332 1.00 63.42 H new ATOM 0 HA LYS A 31 -10.510 -0.427 9.148 1.00 10.45 H new ATOM 0 HB2 LYS A 31 -10.299 -2.800 9.492 1.00 64.34 H new ATOM 0 HB3 LYS A 31 -9.550 -3.034 7.925 1.00 64.34 H new ATOM 0 HG2 LYS A 31 -7.555 -1.780 8.671 1.00 52.35 H new ATOM 0 HG3 LYS A 31 -8.305 -1.487 10.227 1.00 52.35 H new ATOM 0 HD2 LYS A 31 -7.855 -3.586 10.987 1.00 75.42 H new ATOM 0 HD3 LYS A 31 -8.294 -4.340 9.467 1.00 75.42 H new ATOM 0 HE2 LYS A 31 -5.968 -4.750 9.697 1.00 2.40 H new ATOM 0 HE3 LYS A 31 -6.081 -3.456 8.522 1.00 2.40 H new ATOM 0 HZ1 LYS A 31 -4.467 -2.690 9.945 1.00 63.24 H new ATOM 0 HZ2 LYS A 31 -5.843 -1.938 10.597 1.00 63.24 H new ATOM 0 HZ3 LYS A 31 -5.206 -3.329 11.334 1.00 63.24 H new ATOM 497 N ILE A 32 -8.871 -0.750 6.290 1.00 53.34 N ATOM 498 CA ILE A 32 -7.897 -0.100 5.421 1.00 13.03 C ATOM 499 C ILE A 32 -8.399 1.262 4.955 1.00 53.24 C ATOM 500 O ILE A 32 -7.636 2.226 4.885 1.00 71.34 O ATOM 501 CB ILE A 32 -7.576 -0.966 4.189 1.00 43.10 C ATOM 502 CG1 ILE A 32 -6.613 -2.093 4.568 1.00 44.14 C ATOM 503 CG2 ILE A 32 -6.986 -0.109 3.079 1.00 55.24 C ATOM 504 CD1 ILE A 32 -6.350 -3.068 3.441 1.00 52.50 C ATOM 0 H ILE A 32 -9.275 -1.604 5.906 1.00 53.34 H new ATOM 0 HA ILE A 32 -6.988 0.032 6.008 1.00 13.03 H new ATOM 0 HB ILE A 32 -8.502 -1.411 3.825 1.00 43.10 H new ATOM 0 HG12 ILE A 32 -5.667 -1.658 4.890 1.00 44.14 H new ATOM 0 HG13 ILE A 32 -7.020 -2.637 5.420 1.00 44.14 H new ATOM 0 HG21 ILE A 32 -6.764 -0.735 2.215 1.00 55.24 H new ATOM 0 HG22 ILE A 32 -7.702 0.662 2.795 1.00 55.24 H new ATOM 0 HG23 ILE A 32 -6.068 0.361 3.431 1.00 55.24 H new ATOM 0 HD11 ILE A 32 -5.659 -3.839 3.781 1.00 52.50 H new ATOM 0 HD12 ILE A 32 -7.288 -3.531 3.134 1.00 52.50 H new ATOM 0 HD13 ILE A 32 -5.913 -2.537 2.595 1.00 52.50 H new ATOM 516 N ARG A 33 -9.688 1.335 4.638 1.00 40.01 N ATOM 517 CA ARG A 33 -10.293 2.580 4.178 1.00 24.55 C ATOM 518 C ARG A 33 -10.412 3.581 5.323 1.00 0.14 C ATOM 519 O ARG A 33 -10.525 4.786 5.098 1.00 43.20 O ATOM 520 CB ARG A 33 -11.673 2.309 3.577 1.00 10.22 C ATOM 521 CG ARG A 33 -12.453 3.572 3.250 1.00 0.12 C ATOM 522 CD ARG A 33 -13.664 3.270 2.382 1.00 72.20 C ATOM 523 NE ARG A 33 -14.777 4.173 2.662 1.00 73.12 N ATOM 524 CZ ARG A 33 -15.543 4.082 3.743 1.00 14.12 C ATOM 525 NH1 ARG A 33 -15.318 3.134 4.642 1.00 64.11 N ATOM 526 NH2 ARG A 33 -16.538 4.941 3.927 1.00 4.45 N ATOM 0 H ARG A 33 -10.333 0.547 4.691 1.00 40.01 H new ATOM 0 HA ARG A 33 -9.648 3.007 3.410 1.00 24.55 H new ATOM 0 HB2 ARG A 33 -11.555 1.719 2.668 1.00 10.22 H new ATOM 0 HB3 ARG A 33 -12.252 1.705 4.276 1.00 10.22 H new ATOM 0 HG2 ARG A 33 -12.777 4.050 4.174 1.00 0.12 H new ATOM 0 HG3 ARG A 33 -11.803 4.280 2.736 1.00 0.12 H new ATOM 0 HD2 ARG A 33 -13.386 3.352 1.331 1.00 72.20 H new ATOM 0 HD3 ARG A 33 -13.982 2.241 2.548 1.00 72.20 H new ATOM 0 HE ARG A 33 -14.977 4.914 1.990 1.00 73.12 H new ATOM 0 HH11 ARG A 33 -14.555 2.472 4.505 1.00 64.11 H new ATOM 0 HH12 ARG A 33 -15.908 3.067 5.471 1.00 64.11 H new ATOM 0 HH21 ARG A 33 -16.715 5.672 3.238 1.00 4.45 H new ATOM 0 HH22 ARG A 33 -17.126 4.870 4.758 1.00 4.45 H new ATOM 540 N ASP A 34 -10.387 3.074 6.551 1.00 40.10 N ATOM 541 CA ASP A 34 -10.492 3.924 7.731 1.00 22.25 C ATOM 542 C ASP A 34 -9.115 4.198 8.327 1.00 4.54 C ATOM 543 O ASP A 34 -8.999 4.763 9.416 1.00 23.32 O ATOM 544 CB ASP A 34 -11.393 3.269 8.779 1.00 31.32 C ATOM 545 CG ASP A 34 -12.855 3.286 8.378 1.00 40.41 C ATOM 546 OD1 ASP A 34 -13.136 3.295 7.161 1.00 75.10 O ATOM 547 OD2 ASP A 34 -13.718 3.291 9.281 1.00 64.14 O ATOM 0 H ASP A 34 -10.295 2.079 6.755 1.00 40.10 H new ATOM 0 HA ASP A 34 -10.932 4.873 7.427 1.00 22.25 H new ATOM 0 HB2 ASP A 34 -11.074 2.238 8.935 1.00 31.32 H new ATOM 0 HB3 ASP A 34 -11.274 3.787 9.731 1.00 31.32 H new ATOM 552 N LEU A 35 -8.073 3.795 7.608 1.00 53.32 N ATOM 553 CA LEU A 35 -6.703 3.997 8.065 1.00 21.15 C ATOM 554 C LEU A 35 -6.356 5.482 8.108 1.00 21.41 C ATOM 555 O LEU A 35 -7.002 6.314 7.471 1.00 32.14 O ATOM 556 CB LEU A 35 -5.725 3.259 7.150 1.00 63.12 C ATOM 557 CG LEU A 35 -5.513 1.775 7.451 1.00 72.33 C ATOM 558 CD1 LEU A 35 -4.665 1.126 6.368 1.00 40.22 C ATOM 559 CD2 LEU A 35 -4.867 1.594 8.817 1.00 40.35 C ATOM 0 H LEU A 35 -8.151 3.326 6.706 1.00 53.32 H new ATOM 0 HA LEU A 35 -6.620 3.595 9.075 1.00 21.15 H new ATOM 0 HB2 LEU A 35 -6.077 3.354 6.123 1.00 63.12 H new ATOM 0 HB3 LEU A 35 -4.759 3.761 7.203 1.00 63.12 H new ATOM 0 HG LEU A 35 -6.486 1.285 7.464 1.00 72.33 H new ATOM 0 HD11 LEU A 35 -4.525 0.070 6.599 1.00 40.22 H new ATOM 0 HD12 LEU A 35 -5.167 1.223 5.406 1.00 40.22 H new ATOM 0 HD13 LEU A 35 -3.694 1.619 6.322 1.00 40.22 H new ATOM 0 HD21 LEU A 35 -4.724 0.532 9.014 1.00 40.35 H new ATOM 0 HD22 LEU A 35 -3.901 2.099 8.833 1.00 40.35 H new ATOM 0 HD23 LEU A 35 -5.513 2.021 9.584 1.00 40.35 H new ATOM 571 N PRO A 36 -5.309 5.823 8.875 1.00 54.25 N ATOM 572 CA PRO A 36 -4.851 7.208 9.016 1.00 2.33 C ATOM 573 C PRO A 36 -4.214 7.742 7.738 1.00 64.33 C ATOM 574 O PRO A 36 -3.218 7.199 7.256 1.00 14.43 O ATOM 575 CB PRO A 36 -3.812 7.125 10.137 1.00 24.21 C ATOM 576 CG PRO A 36 -3.320 5.719 10.094 1.00 13.13 C ATOM 577 CD PRO A 36 -4.493 4.884 9.661 1.00 31.52 C ATOM 0 HA PRO A 36 -5.675 7.890 9.228 1.00 2.33 H new ATOM 0 HB2 PRO A 36 -3.000 7.834 9.977 1.00 24.21 H new ATOM 0 HB3 PRO A 36 -4.254 7.360 11.105 1.00 24.21 H new ATOM 0 HG2 PRO A 36 -2.489 5.617 9.396 1.00 13.13 H new ATOM 0 HG3 PRO A 36 -2.955 5.403 11.071 1.00 13.13 H new ATOM 0 HD2 PRO A 36 -4.178 4.028 9.064 1.00 31.52 H new ATOM 0 HD3 PRO A 36 -5.044 4.491 10.516 1.00 31.52 H new ATOM 585 N ILE A 37 -4.793 8.806 7.193 1.00 4.43 N ATOM 586 CA ILE A 37 -4.280 9.413 5.971 1.00 5.34 C ATOM 587 C ILE A 37 -2.935 10.090 6.216 1.00 14.54 C ATOM 588 O ILE A 37 -2.057 10.079 5.354 1.00 3.24 O ATOM 589 CB ILE A 37 -5.266 10.448 5.399 1.00 13.24 C ATOM 590 CG1 ILE A 37 -5.621 11.489 6.463 1.00 11.13 C ATOM 591 CG2 ILE A 37 -6.521 9.757 4.888 1.00 52.04 C ATOM 592 CD1 ILE A 37 -6.595 12.541 5.979 1.00 64.42 C ATOM 0 H ILE A 37 -5.618 9.266 7.578 1.00 4.43 H new ATOM 0 HA ILE A 37 -4.152 8.607 5.248 1.00 5.34 H new ATOM 0 HB ILE A 37 -4.789 10.959 4.562 1.00 13.24 H new ATOM 0 HG12 ILE A 37 -6.048 10.981 7.328 1.00 11.13 H new ATOM 0 HG13 ILE A 37 -4.707 11.979 6.799 1.00 11.13 H new ATOM 0 HG21 ILE A 37 -7.209 10.502 4.487 1.00 52.04 H new ATOM 0 HG22 ILE A 37 -6.253 9.050 4.103 1.00 52.04 H new ATOM 0 HG23 ILE A 37 -7.002 9.224 5.708 1.00 52.04 H new ATOM 0 HD11 ILE A 37 -6.801 13.245 6.785 1.00 64.42 H new ATOM 0 HD12 ILE A 37 -6.163 13.075 5.133 1.00 64.42 H new ATOM 0 HD13 ILE A 37 -7.524 12.062 5.670 1.00 64.42 H new ATOM 604 N SER A 38 -2.782 10.678 7.399 1.00 42.23 N ATOM 605 CA SER A 38 -1.545 11.362 7.757 1.00 10.53 C ATOM 606 C SER A 38 -0.378 10.382 7.811 1.00 24.32 C ATOM 607 O SER A 38 0.786 10.778 7.727 1.00 32.24 O ATOM 608 CB SER A 38 -1.699 12.065 9.108 1.00 61.42 C ATOM 609 OG SER A 38 -0.679 13.029 9.300 1.00 4.04 O ATOM 0 H SER A 38 -3.499 10.694 8.125 1.00 42.23 H new ATOM 0 HA SER A 38 -1.335 12.107 6.989 1.00 10.53 H new ATOM 0 HB2 SER A 38 -2.675 12.548 9.161 1.00 61.42 H new ATOM 0 HB3 SER A 38 -1.664 11.329 9.911 1.00 61.42 H new ATOM 0 HG SER A 38 -0.800 13.465 10.169 1.00 4.04 H new ATOM 615 N LEU A 39 -0.696 9.100 7.952 1.00 73.22 N ATOM 616 CA LEU A 39 0.325 8.060 8.017 1.00 0.22 C ATOM 617 C LEU A 39 0.899 7.773 6.633 1.00 0.05 C ATOM 618 O LEU A 39 2.055 7.372 6.501 1.00 64.34 O ATOM 619 CB LEU A 39 -0.260 6.780 8.615 1.00 73.42 C ATOM 620 CG LEU A 39 0.630 6.036 9.611 1.00 61.43 C ATOM 621 CD1 LEU A 39 -0.203 5.463 10.747 1.00 4.22 C ATOM 622 CD2 LEU A 39 1.409 4.932 8.909 1.00 14.21 C ATOM 0 H LEU A 39 -1.653 8.755 8.024 1.00 73.22 H new ATOM 0 HA LEU A 39 1.132 8.417 8.657 1.00 0.22 H new ATOM 0 HB2 LEU A 39 -1.197 7.031 9.112 1.00 73.42 H new ATOM 0 HB3 LEU A 39 -0.504 6.100 7.799 1.00 73.42 H new ATOM 0 HG LEU A 39 1.343 6.745 10.032 1.00 61.43 H new ATOM 0 HD11 LEU A 39 0.448 4.937 11.446 1.00 4.22 H new ATOM 0 HD12 LEU A 39 -0.715 6.273 11.267 1.00 4.22 H new ATOM 0 HD13 LEU A 39 -0.939 4.768 10.344 1.00 4.22 H new ATOM 0 HD21 LEU A 39 2.037 4.413 9.633 1.00 14.21 H new ATOM 0 HD22 LEU A 39 0.712 4.224 8.460 1.00 14.21 H new ATOM 0 HD23 LEU A 39 2.036 5.367 8.131 1.00 14.21 H new ATOM 634 N PHE A 40 0.084 7.983 5.605 1.00 11.21 N ATOM 635 CA PHE A 40 0.511 7.748 4.231 1.00 51.23 C ATOM 636 C PHE A 40 0.304 8.995 3.376 1.00 4.42 C ATOM 637 O PHE A 40 -0.827 9.421 3.144 1.00 51.33 O ATOM 638 CB PHE A 40 -0.259 6.571 3.629 1.00 34.12 C ATOM 639 CG PHE A 40 -0.476 5.440 4.594 1.00 1.53 C ATOM 640 CD1 PHE A 40 -1.572 5.436 5.442 1.00 1.31 C ATOM 641 CD2 PHE A 40 0.416 4.382 4.653 1.00 20.12 C ATOM 642 CE1 PHE A 40 -1.773 4.398 6.332 1.00 61.35 C ATOM 643 CE2 PHE A 40 0.220 3.340 5.540 1.00 10.24 C ATOM 644 CZ PHE A 40 -0.877 3.348 6.380 1.00 64.21 C ATOM 0 H PHE A 40 -0.876 8.315 5.697 1.00 11.21 H new ATOM 0 HA PHE A 40 1.575 7.509 4.244 1.00 51.23 H new ATOM 0 HB2 PHE A 40 -1.226 6.924 3.272 1.00 34.12 H new ATOM 0 HB3 PHE A 40 0.284 6.198 2.761 1.00 34.12 H new ATOM 0 HD1 PHE A 40 -2.277 6.253 5.407 1.00 1.31 H new ATOM 0 HD2 PHE A 40 1.275 4.371 3.998 1.00 20.12 H new ATOM 0 HE1 PHE A 40 -2.630 4.408 6.989 1.00 61.35 H new ATOM 0 HE2 PHE A 40 0.923 2.521 5.576 1.00 10.24 H new ATOM 0 HZ PHE A 40 -1.034 2.535 7.073 1.00 64.21 H new ATOM 654 N ASP A 41 1.405 9.576 2.912 1.00 4.23 N ATOM 655 CA ASP A 41 1.346 10.774 2.083 1.00 5.42 C ATOM 656 C ASP A 41 0.396 10.575 0.907 1.00 60.13 C ATOM 657 O ASP A 41 -0.214 11.527 0.420 1.00 13.23 O ATOM 658 CB ASP A 41 2.742 11.136 1.572 1.00 70.31 C ATOM 659 CG ASP A 41 3.591 11.807 2.633 1.00 44.41 C ATOM 660 OD1 ASP A 41 3.092 12.749 3.283 1.00 4.40 O ATOM 661 OD2 ASP A 41 4.755 11.392 2.813 1.00 64.44 O ATOM 0 H ASP A 41 2.349 9.237 3.096 1.00 4.23 H new ATOM 0 HA ASP A 41 0.969 11.592 2.697 1.00 5.42 H new ATOM 0 HB2 ASP A 41 3.245 10.233 1.226 1.00 70.31 H new ATOM 0 HB3 ASP A 41 2.650 11.799 0.712 1.00 70.31 H new ATOM 666 N TYR A 42 0.276 9.332 0.454 1.00 64.03 N ATOM 667 CA TYR A 42 -0.597 9.008 -0.668 1.00 42.01 C ATOM 668 C TYR A 42 -1.367 7.718 -0.404 1.00 13.02 C ATOM 669 O TYR A 42 -0.777 6.676 -0.118 1.00 72.12 O ATOM 670 CB TYR A 42 0.219 8.873 -1.955 1.00 5.34 C ATOM 671 CG TYR A 42 -0.611 8.502 -3.162 1.00 41.15 C ATOM 672 CD1 TYR A 42 -1.899 8.998 -3.323 1.00 41.13 C ATOM 673 CD2 TYR A 42 -0.108 7.655 -4.142 1.00 72.12 C ATOM 674 CE1 TYR A 42 -2.662 8.661 -4.425 1.00 3.22 C ATOM 675 CE2 TYR A 42 -0.863 7.314 -5.248 1.00 32.14 C ATOM 676 CZ TYR A 42 -2.139 7.819 -5.384 1.00 52.34 C ATOM 677 OH TYR A 42 -2.895 7.481 -6.483 1.00 60.14 O ATOM 0 H TYR A 42 0.772 8.532 0.847 1.00 64.03 H new ATOM 0 HA TYR A 42 -1.314 9.821 -0.784 1.00 42.01 H new ATOM 0 HB2 TYR A 42 0.730 9.815 -2.152 1.00 5.34 H new ATOM 0 HB3 TYR A 42 0.990 8.117 -1.809 1.00 5.34 H new ATOM 0 HD1 TYR A 42 -2.311 9.658 -2.574 1.00 41.13 H new ATOM 0 HD2 TYR A 42 0.890 7.256 -4.037 1.00 72.12 H new ATOM 0 HE1 TYR A 42 -3.662 9.055 -4.535 1.00 3.22 H new ATOM 0 HE2 TYR A 42 -0.456 6.656 -6.001 1.00 32.14 H new ATOM 0 HH TYR A 42 -3.827 7.742 -6.332 1.00 60.14 H new ATOM 687 N PHE A 43 -2.690 7.796 -0.502 1.00 53.20 N ATOM 688 CA PHE A 43 -3.544 6.636 -0.274 1.00 23.13 C ATOM 689 C PHE A 43 -4.593 6.508 -1.374 1.00 60.41 C ATOM 690 O PHE A 43 -5.457 7.372 -1.526 1.00 71.40 O ATOM 691 CB PHE A 43 -4.229 6.741 1.090 1.00 20.13 C ATOM 692 CG PHE A 43 -4.375 5.420 1.791 1.00 1.40 C ATOM 693 CD1 PHE A 43 -4.400 4.238 1.070 1.00 70.50 C ATOM 694 CD2 PHE A 43 -4.488 5.362 3.171 1.00 44.12 C ATOM 695 CE1 PHE A 43 -4.534 3.021 1.712 1.00 62.43 C ATOM 696 CE2 PHE A 43 -4.621 4.148 3.818 1.00 52.21 C ATOM 697 CZ PHE A 43 -4.646 2.976 3.087 1.00 4.25 C ATOM 0 H PHE A 43 -3.194 8.651 -0.738 1.00 53.20 H new ATOM 0 HA PHE A 43 -2.916 5.745 -0.290 1.00 23.13 H new ATOM 0 HB2 PHE A 43 -3.657 7.418 1.724 1.00 20.13 H new ATOM 0 HB3 PHE A 43 -5.216 7.185 0.959 1.00 20.13 H new ATOM 0 HD1 PHE A 43 -4.314 4.267 -0.006 1.00 70.50 H new ATOM 0 HD2 PHE A 43 -4.472 6.275 3.747 1.00 44.12 H new ATOM 0 HE1 PHE A 43 -4.551 2.106 1.138 1.00 62.43 H new ATOM 0 HE2 PHE A 43 -4.705 4.116 4.894 1.00 52.21 H new ATOM 0 HZ PHE A 43 -4.753 2.026 3.590 1.00 4.25 H new ATOM 707 N ILE A 44 -4.510 5.424 -2.139 1.00 11.22 N ATOM 708 CA ILE A 44 -5.452 5.182 -3.225 1.00 0.25 C ATOM 709 C ILE A 44 -5.906 3.727 -3.244 1.00 72.41 C ATOM 710 O ILE A 44 -5.100 2.816 -3.433 1.00 22.21 O ATOM 711 CB ILE A 44 -4.838 5.535 -4.592 1.00 25.10 C ATOM 712 CG1 ILE A 44 -5.707 4.983 -5.724 1.00 24.22 C ATOM 713 CG2 ILE A 44 -3.420 4.991 -4.692 1.00 11.32 C ATOM 714 CD1 ILE A 44 -5.813 5.912 -6.912 1.00 54.52 C ATOM 0 H ILE A 44 -3.800 4.700 -2.027 1.00 11.22 H new ATOM 0 HA ILE A 44 -6.313 5.826 -3.046 1.00 0.25 H new ATOM 0 HB ILE A 44 -4.798 6.620 -4.686 1.00 25.10 H new ATOM 0 HG12 ILE A 44 -5.296 4.029 -6.055 1.00 24.22 H new ATOM 0 HG13 ILE A 44 -6.707 4.783 -5.339 1.00 24.22 H new ATOM 0 HG21 ILE A 44 -2.999 5.249 -5.664 1.00 11.32 H new ATOM 0 HG22 ILE A 44 -2.806 5.427 -3.904 1.00 11.32 H new ATOM 0 HG23 ILE A 44 -3.437 3.907 -4.580 1.00 11.32 H new ATOM 0 HD11 ILE A 44 -6.444 5.456 -7.675 1.00 54.52 H new ATOM 0 HD12 ILE A 44 -6.252 6.858 -6.596 1.00 54.52 H new ATOM 0 HD13 ILE A 44 -4.820 6.092 -7.323 1.00 54.52 H new ATOM 726 N VAL A 45 -7.204 3.515 -3.049 1.00 61.44 N ATOM 727 CA VAL A 45 -7.767 2.170 -3.048 1.00 31.25 C ATOM 728 C VAL A 45 -8.864 2.032 -4.097 1.00 61.23 C ATOM 729 O VAL A 45 -9.662 2.946 -4.300 1.00 71.22 O ATOM 730 CB VAL A 45 -8.344 1.805 -1.667 1.00 32.11 C ATOM 731 CG1 VAL A 45 -8.429 0.295 -1.506 1.00 32.33 C ATOM 732 CG2 VAL A 45 -7.504 2.421 -0.559 1.00 2.22 C ATOM 0 H VAL A 45 -7.885 4.257 -2.890 1.00 61.44 H new ATOM 0 HA VAL A 45 -6.953 1.486 -3.287 1.00 31.25 H new ATOM 0 HB VAL A 45 -9.353 2.211 -1.595 1.00 32.11 H new ATOM 0 HG11 VAL A 45 -8.839 0.056 -0.525 1.00 32.33 H new ATOM 0 HG12 VAL A 45 -9.076 -0.118 -2.280 1.00 32.33 H new ATOM 0 HG13 VAL A 45 -7.433 -0.137 -1.598 1.00 32.33 H new ATOM 0 HG21 VAL A 45 -7.926 2.153 0.410 1.00 2.22 H new ATOM 0 HG22 VAL A 45 -6.483 2.047 -0.626 1.00 2.22 H new ATOM 0 HG23 VAL A 45 -7.500 3.506 -0.665 1.00 2.22 H new ATOM 742 N GLY A 46 -8.898 0.881 -4.763 1.00 5.22 N ATOM 743 CA GLY A 46 -9.901 0.644 -5.784 1.00 61.10 C ATOM 744 C GLY A 46 -10.519 -0.737 -5.680 1.00 44.53 C ATOM 745 O GLY A 46 -9.822 -1.717 -5.421 1.00 45.21 O ATOM 0 H GLY A 46 -8.248 0.109 -4.613 1.00 5.22 H new ATOM 0 HA2 GLY A 46 -10.685 1.397 -5.701 1.00 61.10 H new ATOM 0 HA3 GLY A 46 -9.448 0.763 -6.768 1.00 61.10 H new ATOM 749 N GLU A 47 -11.830 -0.813 -5.882 1.00 14.14 N ATOM 750 CA GLU A 47 -12.541 -2.084 -5.806 1.00 53.14 C ATOM 751 C GLU A 47 -12.646 -2.731 -7.184 1.00 62.14 C ATOM 752 O GLU A 47 -12.983 -2.071 -8.167 1.00 31.43 O ATOM 753 CB GLU A 47 -13.940 -1.878 -5.220 1.00 44.44 C ATOM 754 CG GLU A 47 -14.501 -3.113 -4.536 1.00 1.52 C ATOM 755 CD GLU A 47 -14.888 -4.200 -5.520 1.00 13.45 C ATOM 756 OE1 GLU A 47 -15.880 -4.010 -6.255 1.00 5.44 O ATOM 757 OE2 GLU A 47 -14.199 -5.241 -5.554 1.00 11.40 O ATOM 0 H GLU A 47 -12.421 -0.011 -6.099 1.00 14.14 H new ATOM 0 HA GLU A 47 -11.976 -2.749 -5.153 1.00 53.14 H new ATOM 0 HB2 GLU A 47 -13.907 -1.059 -4.502 1.00 44.44 H new ATOM 0 HB3 GLU A 47 -14.618 -1.575 -6.018 1.00 44.44 H new ATOM 0 HG2 GLU A 47 -13.760 -3.506 -3.839 1.00 1.52 H new ATOM 0 HG3 GLU A 47 -15.375 -2.833 -3.948 1.00 1.52 H new ATOM 875 N PRO A 56 -15.832 -10.170 -5.454 1.00 14.04 N ATOM 876 CA PRO A 56 -15.063 -8.926 -5.547 1.00 43.13 C ATOM 877 C PRO A 56 -13.619 -9.102 -5.090 1.00 44.23 C ATOM 878 O PRO A 56 -13.291 -10.061 -4.392 1.00 25.35 O ATOM 879 CB PRO A 56 -15.809 -7.975 -4.608 1.00 20.54 C ATOM 880 CG PRO A 56 -16.492 -8.868 -3.630 1.00 23.22 C ATOM 881 CD PRO A 56 -16.847 -10.118 -4.387 1.00 42.45 C ATOM 0 HA PRO A 56 -14.995 -8.566 -6.573 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -15.122 -7.292 -4.108 1.00 20.54 H new ATOM 0 HB3 PRO A 56 -16.527 -7.362 -5.153 1.00 20.54 H new ATOM 0 HG2 PRO A 56 -15.839 -9.095 -2.787 1.00 23.22 H new ATOM 0 HG3 PRO A 56 -17.384 -8.391 -3.224 1.00 23.22 H new ATOM 0 HD2 PRO A 56 -16.804 -11.000 -3.748 1.00 42.45 H new ATOM 0 HD3 PRO A 56 -17.857 -10.068 -4.795 1.00 42.45 H new ATOM 889 N HIS A 57 -12.759 -8.169 -5.489 1.00 21.54 N ATOM 890 CA HIS A 57 -11.349 -8.221 -5.118 1.00 70.55 C ATOM 891 C HIS A 57 -10.823 -6.829 -4.785 1.00 51.40 C ATOM 892 O HIS A 57 -11.149 -5.852 -5.462 1.00 22.23 O ATOM 893 CB HIS A 57 -10.525 -8.833 -6.252 1.00 4.32 C ATOM 894 CG HIS A 57 -9.051 -8.839 -5.984 1.00 60.54 C ATOM 895 ND1 HIS A 57 -8.372 -9.953 -5.537 1.00 34.40 N ATOM 896 CD2 HIS A 57 -8.125 -7.860 -6.105 1.00 42.12 C ATOM 897 CE1 HIS A 57 -7.093 -9.658 -5.393 1.00 21.24 C ATOM 898 NE2 HIS A 57 -6.916 -8.394 -5.731 1.00 51.24 N ATOM 0 H HIS A 57 -13.014 -7.369 -6.068 1.00 21.54 H new ATOM 0 HA HIS A 57 -11.254 -8.847 -4.231 1.00 70.55 H new ATOM 0 HB2 HIS A 57 -10.859 -9.856 -6.422 1.00 4.32 H new ATOM 0 HB3 HIS A 57 -10.717 -8.278 -7.170 1.00 4.32 H new ATOM 0 HD1 HIS A 57 -8.792 -10.863 -5.347 1.00 34.40 H new ATOM 0 HD2 HIS A 57 -8.303 -6.847 -6.434 1.00 42.12 H new ATOM 0 HE1 HIS A 57 -6.323 -10.336 -5.056 1.00 21.24 H new ATOM 906 N LEU A 58 -10.009 -6.744 -3.738 1.00 55.34 N ATOM 907 CA LEU A 58 -9.439 -5.470 -3.314 1.00 43.13 C ATOM 908 C LEU A 58 -8.062 -5.257 -3.935 1.00 4.23 C ATOM 909 O LEU A 58 -7.213 -6.147 -3.904 1.00 24.13 O ATOM 910 CB LEU A 58 -9.337 -5.417 -1.789 1.00 13.31 C ATOM 911 CG LEU A 58 -9.902 -4.162 -1.122 1.00 42.21 C ATOM 912 CD1 LEU A 58 -9.611 -4.174 0.371 1.00 40.35 C ATOM 913 CD2 LEU A 58 -9.328 -2.910 -1.769 1.00 44.22 C ATOM 0 H LEU A 58 -9.729 -7.542 -3.168 1.00 55.34 H new ATOM 0 HA LEU A 58 -10.099 -4.673 -3.656 1.00 43.13 H new ATOM 0 HB2 LEU A 58 -9.853 -6.285 -1.380 1.00 13.31 H new ATOM 0 HB3 LEU A 58 -8.287 -5.510 -1.512 1.00 13.31 H new ATOM 0 HG LEU A 58 -10.983 -4.155 -1.261 1.00 42.21 H new ATOM 0 HD11 LEU A 58 -10.020 -3.273 0.829 1.00 40.35 H new ATOM 0 HD12 LEU A 58 -10.070 -5.052 0.824 1.00 40.35 H new ATOM 0 HD13 LEU A 58 -8.533 -4.205 0.531 1.00 40.35 H new ATOM 0 HD21 LEU A 58 -9.741 -2.027 -1.282 1.00 44.22 H new ATOM 0 HD22 LEU A 58 -8.243 -2.910 -1.662 1.00 44.22 H new ATOM 0 HD23 LEU A 58 -9.588 -2.896 -2.827 1.00 44.22 H new ATOM 925 N GLN A 59 -7.848 -4.071 -4.495 1.00 41.21 N ATOM 926 CA GLN A 59 -6.573 -3.741 -5.121 1.00 40.21 C ATOM 927 C GLN A 59 -6.300 -2.242 -5.043 1.00 71.35 C ATOM 928 O GLN A 59 -6.984 -1.443 -5.681 1.00 14.35 O ATOM 929 CB GLN A 59 -6.564 -4.198 -6.581 1.00 10.12 C ATOM 930 CG GLN A 59 -5.382 -3.668 -7.377 1.00 74.20 C ATOM 931 CD GLN A 59 -4.053 -4.177 -6.857 1.00 23.45 C ATOM 932 OE1 GLN A 59 -3.543 -5.199 -7.317 1.00 63.12 O ATOM 933 NE2 GLN A 59 -3.483 -3.466 -5.891 1.00 1.21 N ATOM 0 H GLN A 59 -8.541 -3.323 -4.528 1.00 41.21 H new ATOM 0 HA GLN A 59 -5.785 -4.264 -4.579 1.00 40.21 H new ATOM 0 HB2 GLN A 59 -6.553 -5.288 -6.612 1.00 10.12 H new ATOM 0 HB3 GLN A 59 -7.488 -3.875 -7.060 1.00 10.12 H new ATOM 0 HG2 GLN A 59 -5.494 -3.957 -8.422 1.00 74.20 H new ATOM 0 HG3 GLN A 59 -5.387 -2.578 -7.345 1.00 74.20 H new ATOM 0 HE21 GLN A 59 -3.940 -2.625 -5.539 1.00 1.21 H new ATOM 0 HE22 GLN A 59 -2.588 -3.761 -5.501 1.00 1.21 H new ATOM 942 N GLY A 60 -5.295 -1.869 -4.257 1.00 42.44 N ATOM 943 CA GLY A 60 -4.950 -0.467 -4.111 1.00 3.35 C ATOM 944 C GLY A 60 -3.485 -0.262 -3.780 1.00 44.22 C ATOM 945 O GLY A 60 -2.734 -1.226 -3.630 1.00 21.05 O ATOM 0 H GLY A 60 -4.714 -2.512 -3.719 1.00 42.44 H new ATOM 0 HA2 GLY A 60 -5.188 0.061 -5.035 1.00 3.35 H new ATOM 0 HA3 GLY A 60 -5.562 -0.025 -3.325 1.00 3.35 H new ATOM 949 N PHE A 61 -3.075 0.998 -3.669 1.00 32.51 N ATOM 950 CA PHE A 61 -1.689 1.326 -3.357 1.00 51.10 C ATOM 951 C PHE A 61 -1.615 2.418 -2.293 1.00 60.34 C ATOM 952 O PHE A 61 -2.404 3.362 -2.302 1.00 43.21 O ATOM 953 CB PHE A 61 -0.953 1.778 -4.620 1.00 54.31 C ATOM 954 CG PHE A 61 0.362 2.448 -4.341 1.00 14.25 C ATOM 955 CD1 PHE A 61 1.345 1.797 -3.613 1.00 12.20 C ATOM 956 CD2 PHE A 61 0.615 3.729 -4.806 1.00 34.43 C ATOM 957 CE1 PHE A 61 2.555 2.412 -3.354 1.00 23.23 C ATOM 958 CE2 PHE A 61 1.823 4.348 -4.550 1.00 5.12 C ATOM 959 CZ PHE A 61 2.795 3.688 -3.824 1.00 4.23 C ATOM 0 H PHE A 61 -3.683 1.808 -3.791 1.00 32.51 H new ATOM 0 HA PHE A 61 -1.208 0.429 -2.966 1.00 51.10 H new ATOM 0 HB2 PHE A 61 -0.782 0.913 -5.260 1.00 54.31 H new ATOM 0 HB3 PHE A 61 -1.591 2.465 -5.176 1.00 54.31 H new ATOM 0 HD1 PHE A 61 1.164 0.798 -3.244 1.00 12.20 H new ATOM 0 HD2 PHE A 61 -0.141 4.249 -5.375 1.00 34.43 H new ATOM 0 HE1 PHE A 61 3.313 1.895 -2.784 1.00 23.23 H new ATOM 0 HE2 PHE A 61 2.007 5.347 -4.917 1.00 5.12 H new ATOM 0 HZ PHE A 61 3.741 4.169 -3.624 1.00 4.23 H new ATOM 969 N ALA A 62 -0.662 2.280 -1.378 1.00 25.41 N ATOM 970 CA ALA A 62 -0.483 3.254 -0.308 1.00 64.43 C ATOM 971 C ALA A 62 0.990 3.605 -0.127 1.00 0.51 C ATOM 972 O ALA A 62 1.829 2.726 0.060 1.00 65.24 O ATOM 973 CB ALA A 62 -1.064 2.721 0.993 1.00 52.30 C ATOM 0 H ALA A 62 -0.002 1.503 -1.356 1.00 25.41 H new ATOM 0 HA ALA A 62 -1.015 4.164 -0.585 1.00 64.43 H new ATOM 0 HB1 ALA A 62 -0.923 3.458 1.783 1.00 52.30 H new ATOM 0 HB2 ALA A 62 -2.129 2.527 0.863 1.00 52.30 H new ATOM 0 HB3 ALA A 62 -0.557 1.796 1.266 1.00 52.30 H new ATOM 979 N ASN A 63 1.296 4.898 -0.184 1.00 23.42 N ATOM 980 CA ASN A 63 2.669 5.365 -0.027 1.00 13.40 C ATOM 981 C ASN A 63 2.968 5.695 1.432 1.00 14.13 C ATOM 982 O ASN A 63 2.393 6.624 2.000 1.00 1.24 O ATOM 983 CB ASN A 63 2.912 6.598 -0.900 1.00 63.12 C ATOM 984 CG ASN A 63 4.372 7.008 -0.928 1.00 22.43 C ATOM 985 OD1 ASN A 63 4.995 7.196 0.117 1.00 2.23 O ATOM 986 ND2 ASN A 63 4.925 7.147 -2.127 1.00 52.40 N ATOM 0 H ASN A 63 0.613 5.640 -0.337 1.00 23.42 H new ATOM 0 HA ASN A 63 3.338 4.565 -0.344 1.00 13.40 H new ATOM 0 HB2 ASN A 63 2.576 6.392 -1.916 1.00 63.12 H new ATOM 0 HB3 ASN A 63 2.311 7.428 -0.527 1.00 63.12 H new ATOM 0 HD21 ASN A 63 5.904 7.420 -2.208 1.00 52.40 H new ATOM 0 HD22 ASN A 63 4.370 6.981 -2.967 1.00 52.40 H new ATOM 993 N PHE A 64 3.871 4.928 2.034 1.00 72.24 N ATOM 994 CA PHE A 64 4.246 5.138 3.427 1.00 63.31 C ATOM 995 C PHE A 64 5.068 6.414 3.582 1.00 23.24 C ATOM 996 O PHE A 64 6.033 6.637 2.851 1.00 2.22 O ATOM 997 CB PHE A 64 5.041 3.939 3.949 1.00 21.11 C ATOM 998 CG PHE A 64 4.309 3.142 4.991 1.00 72.15 C ATOM 999 CD1 PHE A 64 4.135 3.644 6.270 1.00 22.44 C ATOM 1000 CD2 PHE A 64 3.794 1.892 4.689 1.00 34.55 C ATOM 1001 CE1 PHE A 64 3.462 2.912 7.231 1.00 65.23 C ATOM 1002 CE2 PHE A 64 3.119 1.155 5.646 1.00 45.34 C ATOM 1003 CZ PHE A 64 2.953 1.667 6.918 1.00 71.34 C ATOM 0 H PHE A 64 4.357 4.155 1.579 1.00 72.24 H new ATOM 0 HA PHE A 64 3.332 5.242 4.012 1.00 63.31 H new ATOM 0 HB2 PHE A 64 5.290 3.286 3.112 1.00 21.11 H new ATOM 0 HB3 PHE A 64 5.983 4.293 4.369 1.00 21.11 H new ATOM 0 HD1 PHE A 64 4.529 4.618 6.520 1.00 22.44 H new ATOM 0 HD2 PHE A 64 3.921 1.488 3.695 1.00 34.55 H new ATOM 0 HE1 PHE A 64 3.335 3.314 8.225 1.00 65.23 H new ATOM 0 HE2 PHE A 64 2.723 0.181 5.399 1.00 45.34 H new ATOM 0 HZ PHE A 64 2.426 1.094 7.667 1.00 71.34 H new ATOM 1013 N VAL A 65 4.678 7.249 4.540 1.00 22.13 N ATOM 1014 CA VAL A 65 5.378 8.503 4.793 1.00 21.32 C ATOM 1015 C VAL A 65 6.832 8.253 5.176 1.00 23.34 C ATOM 1016 O VAL A 65 7.690 9.119 5.001 1.00 30.55 O ATOM 1017 CB VAL A 65 4.695 9.311 5.913 1.00 62.33 C ATOM 1018 CG1 VAL A 65 5.545 10.512 6.299 1.00 72.12 C ATOM 1019 CG2 VAL A 65 3.304 9.748 5.481 1.00 52.13 C ATOM 0 H VAL A 65 3.881 7.080 5.154 1.00 22.13 H new ATOM 0 HA VAL A 65 5.343 9.078 3.867 1.00 21.32 H new ATOM 0 HB VAL A 65 4.594 8.671 6.790 1.00 62.33 H new ATOM 0 HG11 VAL A 65 5.047 11.071 7.091 1.00 72.12 H new ATOM 0 HG12 VAL A 65 6.518 10.171 6.652 1.00 72.12 H new ATOM 0 HG13 VAL A 65 5.680 11.156 5.430 1.00 72.12 H new ATOM 0 HG21 VAL A 65 2.836 10.317 6.284 1.00 52.13 H new ATOM 0 HG22 VAL A 65 3.379 10.371 4.590 1.00 52.13 H new ATOM 0 HG23 VAL A 65 2.699 8.869 5.259 1.00 52.13 H new ATOM 1029 N LYS A 66 7.104 7.062 5.700 1.00 1.20 N ATOM 1030 CA LYS A 66 8.455 6.695 6.107 1.00 2.32 C ATOM 1031 C LYS A 66 8.878 5.378 5.465 1.00 22.10 C ATOM 1032 O LYS A 66 8.161 4.823 4.632 1.00 23.21 O ATOM 1033 CB LYS A 66 8.538 6.582 7.631 1.00 34.41 C ATOM 1034 CG LYS A 66 7.403 5.779 8.243 1.00 20.53 C ATOM 1035 CD LYS A 66 6.268 6.678 8.703 1.00 30.02 C ATOM 1036 CE LYS A 66 6.437 7.089 10.158 1.00 73.30 C ATOM 1037 NZ LYS A 66 5.686 8.335 10.473 1.00 52.50 N ATOM 0 H LYS A 66 6.406 6.334 5.853 1.00 1.20 H new ATOM 0 HA LYS A 66 9.134 7.478 5.770 1.00 2.32 H new ATOM 0 HB2 LYS A 66 9.487 6.119 7.902 1.00 34.41 H new ATOM 0 HB3 LYS A 66 8.537 7.583 8.062 1.00 34.41 H new ATOM 0 HG2 LYS A 66 7.028 5.063 7.512 1.00 20.53 H new ATOM 0 HG3 LYS A 66 7.778 5.204 9.089 1.00 20.53 H new ATOM 0 HD2 LYS A 66 6.230 7.568 8.075 1.00 30.02 H new ATOM 0 HD3 LYS A 66 5.318 6.159 8.579 1.00 30.02 H new ATOM 0 HE2 LYS A 66 6.091 6.283 10.805 1.00 73.30 H new ATOM 0 HE3 LYS A 66 7.495 7.239 10.373 1.00 73.30 H new ATOM 0 HZ1 LYS A 66 5.827 8.582 11.473 1.00 52.50 H new ATOM 0 HZ2 LYS A 66 6.033 9.110 9.873 1.00 52.50 H new ATOM 0 HZ3 LYS A 66 4.673 8.185 10.293 1.00 52.50 H new ATOM 1051 N LYS A 67 10.046 4.881 5.858 1.00 2.44 N ATOM 1052 CA LYS A 67 10.564 3.628 5.324 1.00 62.32 C ATOM 1053 C LYS A 67 10.188 2.456 6.225 1.00 62.55 C ATOM 1054 O LYS A 67 10.617 2.384 7.376 1.00 42.03 O ATOM 1055 CB LYS A 67 12.085 3.703 5.175 1.00 64.31 C ATOM 1056 CG LYS A 67 12.569 4.980 4.510 1.00 63.31 C ATOM 1057 CD LYS A 67 13.513 4.685 3.357 1.00 64.55 C ATOM 1058 CE LYS A 67 14.867 4.200 3.854 1.00 53.20 C ATOM 1059 NZ LYS A 67 15.946 4.451 2.859 1.00 53.03 N ATOM 0 H LYS A 67 10.652 5.328 6.546 1.00 2.44 H new ATOM 0 HA LYS A 67 10.117 3.468 4.343 1.00 62.32 H new ATOM 0 HB2 LYS A 67 12.543 3.621 6.161 1.00 64.31 H new ATOM 0 HB3 LYS A 67 12.427 2.848 4.592 1.00 64.31 H new ATOM 0 HG2 LYS A 67 11.713 5.548 4.145 1.00 63.31 H new ATOM 0 HG3 LYS A 67 13.076 5.605 5.246 1.00 63.31 H new ATOM 0 HD2 LYS A 67 13.071 3.929 2.708 1.00 64.55 H new ATOM 0 HD3 LYS A 67 13.646 5.584 2.755 1.00 64.55 H new ATOM 0 HE2 LYS A 67 15.112 4.703 4.790 1.00 53.20 H new ATOM 0 HE3 LYS A 67 14.813 3.133 4.070 1.00 53.20 H new ATOM 0 HZ1 LYS A 67 16.852 4.106 3.235 1.00 53.03 H new ATOM 0 HZ2 LYS A 67 15.726 3.951 1.974 1.00 53.03 H new ATOM 0 HZ3 LYS A 67 16.015 5.472 2.671 1.00 53.03 H new ATOM 1073 N GLN A 68 9.386 1.539 5.692 1.00 41.31 N ATOM 1074 CA GLN A 68 8.954 0.370 6.449 1.00 51.33 C ATOM 1075 C GLN A 68 9.259 -0.915 5.686 1.00 1.05 C ATOM 1076 O GLN A 68 9.462 -0.896 4.472 1.00 61.51 O ATOM 1077 CB GLN A 68 7.456 0.456 6.749 1.00 64.21 C ATOM 1078 CG GLN A 68 7.051 -0.256 8.030 1.00 40.44 C ATOM 1079 CD GLN A 68 6.597 0.704 9.112 1.00 44.21 C ATOM 1080 OE1 GLN A 68 5.401 0.865 9.354 1.00 73.43 O ATOM 1081 NE2 GLN A 68 7.553 1.349 9.771 1.00 64.25 N ATOM 0 H GLN A 68 9.023 1.583 4.740 1.00 41.31 H new ATOM 0 HA GLN A 68 9.505 0.352 7.389 1.00 51.33 H new ATOM 0 HB2 GLN A 68 7.167 1.505 6.819 1.00 64.21 H new ATOM 0 HB3 GLN A 68 6.901 0.028 5.914 1.00 64.21 H new ATOM 0 HG2 GLN A 68 6.247 -0.959 7.812 1.00 40.44 H new ATOM 0 HG3 GLN A 68 7.894 -0.841 8.398 1.00 40.44 H new ATOM 0 HE21 GLN A 68 8.532 1.186 9.538 1.00 64.25 H new ATOM 0 HE22 GLN A 68 7.308 2.008 10.510 1.00 64.25 H new ATOM 1090 N THR A 69 9.291 -2.032 6.407 1.00 14.44 N ATOM 1091 CA THR A 69 9.573 -3.326 5.800 1.00 54.13 C ATOM 1092 C THR A 69 8.285 -4.081 5.491 1.00 13.15 C ATOM 1093 O THR A 69 7.199 -3.669 5.900 1.00 53.32 O ATOM 1094 CB THR A 69 10.457 -4.195 6.714 1.00 44.34 C ATOM 1095 OG1 THR A 69 9.660 -4.795 7.741 1.00 43.42 O ATOM 1096 CG2 THR A 69 11.564 -3.364 7.344 1.00 5.51 C ATOM 0 H THR A 69 9.125 -2.066 7.413 1.00 14.44 H new ATOM 0 HA THR A 69 10.107 -3.129 4.871 1.00 54.13 H new ATOM 0 HB THR A 69 10.912 -4.977 6.106 1.00 44.34 H new ATOM 0 HG1 THR A 69 10.230 -5.347 8.316 1.00 43.42 H new ATOM 0 HG21 THR A 69 12.175 -3.999 7.985 1.00 5.51 H new ATOM 0 HG22 THR A 69 12.187 -2.933 6.560 1.00 5.51 H new ATOM 0 HG23 THR A 69 11.124 -2.564 7.939 1.00 5.51 H new ATOM 1104 N PHE A 70 8.412 -5.189 4.769 1.00 23.02 N ATOM 1105 CA PHE A 70 7.257 -6.002 4.406 1.00 65.01 C ATOM 1106 C PHE A 70 6.569 -6.556 5.650 1.00 1.20 C ATOM 1107 O PHE A 70 5.365 -6.382 5.835 1.00 25.24 O ATOM 1108 CB PHE A 70 7.684 -7.152 3.491 1.00 41.21 C ATOM 1109 CG PHE A 70 6.652 -8.236 3.370 1.00 71.21 C ATOM 1110 CD1 PHE A 70 5.445 -7.995 2.733 1.00 45.43 C ATOM 1111 CD2 PHE A 70 6.888 -9.497 3.894 1.00 71.02 C ATOM 1112 CE1 PHE A 70 4.494 -8.990 2.619 1.00 34.43 C ATOM 1113 CE2 PHE A 70 5.940 -10.497 3.783 1.00 40.30 C ATOM 1114 CZ PHE A 70 4.741 -10.243 3.146 1.00 11.21 C ATOM 0 H PHE A 70 9.303 -5.545 4.424 1.00 23.02 H new ATOM 0 HA PHE A 70 6.549 -5.366 3.874 1.00 65.01 H new ATOM 0 HB2 PHE A 70 7.901 -6.755 2.499 1.00 41.21 H new ATOM 0 HB3 PHE A 70 8.610 -7.584 3.871 1.00 41.21 H new ATOM 0 HD1 PHE A 70 5.246 -7.017 2.321 1.00 45.43 H new ATOM 0 HD2 PHE A 70 7.823 -9.701 4.395 1.00 71.02 H new ATOM 0 HE1 PHE A 70 3.558 -8.789 2.118 1.00 34.43 H new ATOM 0 HE2 PHE A 70 6.137 -11.476 4.194 1.00 40.30 H new ATOM 0 HZ PHE A 70 3.998 -11.022 3.060 1.00 11.21 H new ATOM 1124 N ASN A 71 7.343 -7.224 6.499 1.00 1.23 N ATOM 1125 CA ASN A 71 6.809 -7.805 7.726 1.00 54.43 C ATOM 1126 C ASN A 71 6.220 -6.724 8.628 1.00 72.23 C ATOM 1127 O ASN A 71 5.155 -6.905 9.218 1.00 55.21 O ATOM 1128 CB ASN A 71 7.904 -8.567 8.473 1.00 23.41 C ATOM 1129 CG ASN A 71 7.663 -10.065 8.483 1.00 15.50 C ATOM 1130 OD1 ASN A 71 6.954 -10.596 7.628 1.00 42.23 O ATOM 1131 ND2 ASN A 71 8.252 -10.752 9.454 1.00 33.32 N ATOM 0 H ASN A 71 8.342 -7.377 6.360 1.00 1.23 H new ATOM 0 HA ASN A 71 6.014 -8.499 7.454 1.00 54.43 H new ATOM 0 HB2 ASN A 71 8.868 -8.360 8.009 1.00 23.41 H new ATOM 0 HB3 ASN A 71 7.960 -8.204 9.499 1.00 23.41 H new ATOM 0 HD21 ASN A 71 8.125 -11.762 9.513 1.00 33.32 H new ATOM 0 HD22 ASN A 71 8.831 -10.270 10.141 1.00 33.32 H new ATOM 1138 N LYS A 72 6.920 -5.600 8.729 1.00 3.34 N ATOM 1139 CA LYS A 72 6.468 -4.488 9.557 1.00 32.02 C ATOM 1140 C LYS A 72 5.172 -3.895 9.012 1.00 64.53 C ATOM 1141 O LYS A 72 4.209 -3.698 9.752 1.00 55.44 O ATOM 1142 CB LYS A 72 7.547 -3.405 9.627 1.00 32.01 C ATOM 1143 CG LYS A 72 7.565 -2.648 10.944 1.00 75.12 C ATOM 1144 CD LYS A 72 6.210 -2.033 11.252 1.00 52.45 C ATOM 1145 CE LYS A 72 6.273 -1.129 12.473 1.00 33.04 C ATOM 1146 NZ LYS A 72 6.906 -1.811 13.636 1.00 75.41 N ATOM 0 H LYS A 72 7.804 -5.434 8.247 1.00 3.34 H new ATOM 0 HA LYS A 72 6.279 -4.869 10.561 1.00 32.02 H new ATOM 0 HB2 LYS A 72 8.522 -3.865 9.469 1.00 32.01 H new ATOM 0 HB3 LYS A 72 7.393 -2.697 8.813 1.00 32.01 H new ATOM 0 HG2 LYS A 72 7.850 -3.324 11.750 1.00 75.12 H new ATOM 0 HG3 LYS A 72 8.321 -1.864 10.904 1.00 75.12 H new ATOM 0 HD2 LYS A 72 5.865 -1.460 10.391 1.00 52.45 H new ATOM 0 HD3 LYS A 72 5.480 -2.825 11.421 1.00 52.45 H new ATOM 0 HE2 LYS A 72 6.837 -0.228 12.229 1.00 33.04 H new ATOM 0 HE3 LYS A 72 5.266 -0.812 12.742 1.00 33.04 H new ATOM 0 HZ1 LYS A 72 6.750 -1.247 14.496 1.00 75.41 H new ATOM 0 HZ2 LYS A 72 6.483 -2.753 13.758 1.00 75.41 H new ATOM 0 HZ3 LYS A 72 7.927 -1.909 13.467 1.00 75.41 H new ATOM 1160 N VAL A 73 5.156 -3.615 7.712 1.00 21.34 N ATOM 1161 CA VAL A 73 3.978 -3.048 7.067 1.00 1.13 C ATOM 1162 C VAL A 73 2.743 -3.903 7.329 1.00 41.32 C ATOM 1163 O VAL A 73 1.615 -3.411 7.292 1.00 72.30 O ATOM 1164 CB VAL A 73 4.182 -2.911 5.547 1.00 72.32 C ATOM 1165 CG1 VAL A 73 2.855 -2.647 4.852 1.00 51.13 C ATOM 1166 CG2 VAL A 73 5.183 -1.807 5.241 1.00 73.32 C ATOM 0 H VAL A 73 5.946 -3.772 7.086 1.00 21.34 H new ATOM 0 HA VAL A 73 3.828 -2.057 7.496 1.00 1.13 H new ATOM 0 HB VAL A 73 4.584 -3.850 5.166 1.00 72.32 H new ATOM 0 HG11 VAL A 73 3.019 -2.553 3.778 1.00 51.13 H new ATOM 0 HG12 VAL A 73 2.173 -3.475 5.044 1.00 51.13 H new ATOM 0 HG13 VAL A 73 2.421 -1.723 5.235 1.00 51.13 H new ATOM 0 HG21 VAL A 73 5.315 -1.724 4.162 1.00 73.32 H new ATOM 0 HG22 VAL A 73 4.813 -0.861 5.635 1.00 73.32 H new ATOM 0 HG23 VAL A 73 6.140 -2.044 5.706 1.00 73.32 H new ATOM 1176 N LYS A 74 2.964 -5.186 7.594 1.00 52.12 N ATOM 1177 CA LYS A 74 1.870 -6.111 7.864 1.00 73.12 C ATOM 1178 C LYS A 74 1.142 -5.733 9.150 1.00 24.12 C ATOM 1179 O LYS A 74 0.062 -6.248 9.437 1.00 15.40 O ATOM 1180 CB LYS A 74 2.399 -7.543 7.967 1.00 62.23 C ATOM 1181 CG LYS A 74 3.137 -8.010 6.724 1.00 42.42 C ATOM 1182 CD LYS A 74 2.710 -9.409 6.314 1.00 52.24 C ATOM 1183 CE LYS A 74 1.681 -9.372 5.194 1.00 12.41 C ATOM 1184 NZ LYS A 74 1.436 -10.724 4.621 1.00 51.14 N ATOM 0 H LYS A 74 3.892 -5.609 7.628 1.00 52.12 H new ATOM 0 HA LYS A 74 1.164 -6.050 7.036 1.00 73.12 H new ATOM 0 HB2 LYS A 74 3.068 -7.613 8.825 1.00 62.23 H new ATOM 0 HB3 LYS A 74 1.564 -8.217 8.158 1.00 62.23 H new ATOM 0 HG2 LYS A 74 2.947 -7.316 5.905 1.00 42.42 H new ATOM 0 HG3 LYS A 74 4.211 -7.997 6.911 1.00 42.42 H new ATOM 0 HD2 LYS A 74 3.582 -9.976 5.989 1.00 52.24 H new ATOM 0 HD3 LYS A 74 2.293 -9.930 7.176 1.00 52.24 H new ATOM 0 HE2 LYS A 74 0.745 -8.964 5.574 1.00 12.41 H new ATOM 0 HE3 LYS A 74 2.025 -8.701 4.407 1.00 12.41 H new ATOM 0 HZ1 LYS A 74 1.722 -10.734 3.621 1.00 51.14 H new ATOM 0 HZ2 LYS A 74 1.990 -11.430 5.147 1.00 51.14 H new ATOM 0 HZ3 LYS A 74 0.424 -10.954 4.694 1.00 51.14 H new ATOM 1198 N TRP A 75 1.741 -4.831 9.919 1.00 22.35 N ATOM 1199 CA TRP A 75 1.149 -4.384 11.175 1.00 52.41 C ATOM 1200 C TRP A 75 -0.099 -3.545 10.920 1.00 63.14 C ATOM 1201 O TRP A 75 -0.940 -3.382 11.804 1.00 73.35 O ATOM 1202 CB TRP A 75 2.165 -3.575 11.983 1.00 64.24 C ATOM 1203 CG TRP A 75 2.312 -2.161 11.508 1.00 72.12 C ATOM 1204 CD1 TRP A 75 2.344 -1.731 10.212 1.00 2.11 C ATOM 1205 CD2 TRP A 75 2.447 -0.993 12.324 1.00 5.21 C ATOM 1206 NE1 TRP A 75 2.492 -0.365 10.174 1.00 71.33 N ATOM 1207 CE2 TRP A 75 2.557 0.111 11.456 1.00 12.42 C ATOM 1208 CE3 TRP A 75 2.485 -0.771 13.703 1.00 22.54 C ATOM 1209 CZ2 TRP A 75 2.702 1.414 11.925 1.00 44.43 C ATOM 1210 CZ3 TRP A 75 2.630 0.522 14.167 1.00 50.33 C ATOM 1211 CH2 TRP A 75 2.736 1.602 13.280 1.00 63.12 C ATOM 0 H TRP A 75 2.636 -4.395 9.695 1.00 22.35 H new ATOM 0 HA TRP A 75 0.861 -5.267 11.746 1.00 52.41 H new ATOM 0 HB2 TRP A 75 1.863 -3.569 13.030 1.00 64.24 H new ATOM 0 HB3 TRP A 75 3.135 -4.070 11.933 1.00 64.24 H new ATOM 0 HD1 TRP A 75 2.265 -2.370 9.345 1.00 2.11 H new ATOM 0 HE1 TRP A 75 2.545 0.202 9.328 1.00 71.33 H new ATOM 0 HE3 TRP A 75 2.402 -1.596 14.395 1.00 22.54 H new ATOM 0 HZ2 TRP A 75 2.785 2.247 11.243 1.00 44.43 H new ATOM 0 HZ3 TRP A 75 2.662 0.704 15.231 1.00 50.33 H new ATOM 0 HH2 TRP A 75 2.847 2.602 13.673 1.00 63.12 H new ATOM 1222 N TYR A 76 -0.212 -3.015 9.707 1.00 71.22 N ATOM 1223 CA TYR A 76 -1.357 -2.191 9.337 1.00 64.33 C ATOM 1224 C TYR A 76 -2.208 -2.885 8.278 1.00 63.34 C ATOM 1225 O TYR A 76 -3.426 -3.002 8.421 1.00 25.10 O ATOM 1226 CB TYR A 76 -0.886 -0.831 8.818 1.00 32.32 C ATOM 1227 CG TYR A 76 -1.043 0.287 9.823 1.00 12.34 C ATOM 1228 CD1 TYR A 76 -2.182 0.383 10.614 1.00 64.10 C ATOM 1229 CD2 TYR A 76 -0.052 1.248 9.983 1.00 12.10 C ATOM 1230 CE1 TYR A 76 -2.329 1.404 11.533 1.00 73.41 C ATOM 1231 CE2 TYR A 76 -0.191 2.272 10.901 1.00 63.44 C ATOM 1232 CZ TYR A 76 -1.331 2.345 11.673 1.00 52.33 C ATOM 1233 OH TYR A 76 -1.474 3.363 12.588 1.00 30.21 O ATOM 0 H TYR A 76 0.475 -3.141 8.964 1.00 71.22 H new ATOM 0 HA TYR A 76 -1.968 -2.041 10.227 1.00 64.33 H new ATOM 0 HB2 TYR A 76 0.163 -0.905 8.530 1.00 32.32 H new ATOM 0 HB3 TYR A 76 -1.447 -0.581 7.918 1.00 32.32 H new ATOM 0 HD1 TYR A 76 -2.965 -0.353 10.508 1.00 64.10 H new ATOM 0 HD2 TYR A 76 0.842 1.194 9.380 1.00 12.10 H new ATOM 0 HE1 TYR A 76 -3.221 1.465 12.139 1.00 73.41 H new ATOM 0 HE2 TYR A 76 0.589 3.011 11.013 1.00 63.44 H new ATOM 0 HH TYR A 76 -0.591 3.633 12.917 1.00 30.21 H new ATOM 1243 N LEU A 77 -1.558 -3.345 7.214 1.00 2.11 N ATOM 1244 CA LEU A 77 -2.253 -4.029 6.129 1.00 11.12 C ATOM 1245 C LEU A 77 -2.657 -5.439 6.545 1.00 35.54 C ATOM 1246 O LEU A 77 -3.434 -6.102 5.859 1.00 52.33 O ATOM 1247 CB LEU A 77 -1.365 -4.087 4.885 1.00 55.23 C ATOM 1248 CG LEU A 77 -1.042 -2.744 4.228 1.00 70.31 C ATOM 1249 CD1 LEU A 77 -0.107 -2.940 3.045 1.00 25.41 C ATOM 1250 CD2 LEU A 77 -2.320 -2.044 3.789 1.00 3.43 C ATOM 0 H LEU A 77 -0.551 -3.257 7.080 1.00 2.11 H new ATOM 0 HA LEU A 77 -3.157 -3.465 5.897 1.00 11.12 H new ATOM 0 HB2 LEU A 77 -0.427 -4.572 5.155 1.00 55.23 H new ATOM 0 HB3 LEU A 77 -1.851 -4.723 4.145 1.00 55.23 H new ATOM 0 HG LEU A 77 -0.540 -2.114 4.962 1.00 70.31 H new ATOM 0 HD11 LEU A 77 0.112 -1.974 2.590 1.00 25.41 H new ATOM 0 HD12 LEU A 77 0.821 -3.399 3.387 1.00 25.41 H new ATOM 0 HD13 LEU A 77 -0.582 -3.588 2.309 1.00 25.41 H new ATOM 0 HD21 LEU A 77 -2.071 -1.090 3.324 1.00 3.43 H new ATOM 0 HD22 LEU A 77 -2.850 -2.670 3.071 1.00 3.43 H new ATOM 0 HD23 LEU A 77 -2.956 -1.869 4.657 1.00 3.43 H new ATOM 1262 N GLY A 78 -2.126 -5.893 7.677 1.00 51.50 N ATOM 1263 CA GLY A 78 -2.445 -7.221 8.167 1.00 40.14 C ATOM 1264 C GLY A 78 -1.833 -8.315 7.315 1.00 62.22 C ATOM 1265 O GLY A 78 -1.479 -8.086 6.159 1.00 70.24 O ATOM 0 H GLY A 78 -1.480 -5.364 8.263 1.00 51.50 H new ATOM 0 HA2 GLY A 78 -2.090 -7.322 9.193 1.00 40.14 H new ATOM 0 HA3 GLY A 78 -3.528 -7.346 8.191 1.00 40.14 H new ATOM 1269 N ALA A 79 -1.706 -9.508 7.888 1.00 41.44 N ATOM 1270 CA ALA A 79 -1.132 -10.641 7.173 1.00 35.30 C ATOM 1271 C ALA A 79 -2.121 -11.208 6.159 1.00 4.12 C ATOM 1272 O ALA A 79 -1.732 -11.640 5.074 1.00 23.10 O ATOM 1273 CB ALA A 79 -0.703 -11.721 8.155 1.00 61.42 C ATOM 0 H ALA A 79 -1.993 -9.714 8.845 1.00 41.44 H new ATOM 0 HA ALA A 79 -0.255 -10.290 6.629 1.00 35.30 H new ATOM 0 HB1 ALA A 79 -0.276 -12.561 7.608 1.00 61.42 H new ATOM 0 HB2 ALA A 79 0.044 -11.316 8.838 1.00 61.42 H new ATOM 0 HB3 ALA A 79 -1.569 -12.060 8.724 1.00 61.42 H new ATOM 1279 N ARG A 80 -3.400 -11.203 6.520 1.00 24.32 N ATOM 1280 CA ARG A 80 -4.443 -11.719 5.642 1.00 11.12 C ATOM 1281 C ARG A 80 -4.373 -11.059 4.268 1.00 24.11 C ATOM 1282 O ARG A 80 -4.558 -11.716 3.243 1.00 51.11 O ATOM 1283 CB ARG A 80 -5.822 -11.485 6.262 1.00 71.12 C ATOM 1284 CG ARG A 80 -6.053 -10.052 6.711 1.00 40.50 C ATOM 1285 CD ARG A 80 -7.442 -9.870 7.302 1.00 12.20 C ATOM 1286 NE ARG A 80 -7.761 -10.907 8.279 1.00 32.14 N ATOM 1287 CZ ARG A 80 -7.314 -10.901 9.530 1.00 11.22 C ATOM 1288 NH1 ARG A 80 -6.533 -9.916 9.954 1.00 74.43 N ATOM 1289 NH2 ARG A 80 -7.648 -11.880 10.360 1.00 33.45 N ATOM 0 H ARG A 80 -3.739 -10.847 7.414 1.00 24.32 H new ATOM 0 HA ARG A 80 -4.283 -12.790 5.520 1.00 11.12 H new ATOM 0 HB2 ARG A 80 -6.588 -11.757 5.536 1.00 71.12 H new ATOM 0 HB3 ARG A 80 -5.944 -12.149 7.118 1.00 71.12 H new ATOM 0 HG2 ARG A 80 -5.302 -9.776 7.452 1.00 40.50 H new ATOM 0 HG3 ARG A 80 -5.926 -9.379 5.863 1.00 40.50 H new ATOM 0 HD2 ARG A 80 -7.508 -8.891 7.777 1.00 12.20 H new ATOM 0 HD3 ARG A 80 -8.182 -9.886 6.501 1.00 12.20 H new ATOM 0 HE ARG A 80 -8.360 -11.678 7.985 1.00 32.14 H new ATOM 0 HH11 ARG A 80 -6.274 -9.161 9.319 1.00 74.43 H new ATOM 0 HH12 ARG A 80 -6.191 -9.914 10.915 1.00 74.43 H new ATOM 0 HH21 ARG A 80 -8.249 -12.639 10.038 1.00 33.45 H new ATOM 0 HH22 ARG A 80 -7.304 -11.874 11.320 1.00 33.45 H new ATOM 1303 N CYS A 81 -4.104 -9.758 4.256 1.00 71.35 N ATOM 1304 CA CYS A 81 -4.010 -9.009 3.008 1.00 55.05 C ATOM 1305 C CYS A 81 -2.628 -9.165 2.382 1.00 0.44 C ATOM 1306 O CYS A 81 -1.609 -8.970 3.046 1.00 32.24 O ATOM 1307 CB CYS A 81 -4.309 -7.529 3.253 1.00 23.33 C ATOM 1308 SG CYS A 81 -4.988 -6.665 1.818 1.00 43.33 S ATOM 0 H CYS A 81 -3.947 -9.200 5.096 1.00 71.35 H new ATOM 0 HA CYS A 81 -4.749 -9.411 2.315 1.00 55.05 H new ATOM 0 HB2 CYS A 81 -5.013 -7.444 4.081 1.00 23.33 H new ATOM 0 HB3 CYS A 81 -3.391 -7.030 3.563 1.00 23.33 H new ATOM 0 HG CYS A 81 -5.209 -5.421 2.125 1.00 43.33 H new ATOM 1314 N HIS A 82 -2.600 -9.518 1.101 1.00 22.13 N ATOM 1315 CA HIS A 82 -1.342 -9.701 0.386 1.00 22.32 C ATOM 1316 C HIS A 82 -0.675 -8.358 0.107 1.00 52.34 C ATOM 1317 O HIS A 82 -1.290 -7.456 -0.465 1.00 24.33 O ATOM 1318 CB HIS A 82 -1.581 -10.448 -0.926 1.00 60.14 C ATOM 1319 CG HIS A 82 -0.346 -11.083 -1.488 1.00 32.23 C ATOM 1320 ND1 HIS A 82 0.376 -12.048 -0.817 1.00 13.54 N ATOM 1321 CD2 HIS A 82 0.293 -10.888 -2.665 1.00 31.12 C ATOM 1322 CE1 HIS A 82 1.406 -12.417 -1.556 1.00 4.11 C ATOM 1323 NE2 HIS A 82 1.379 -11.729 -2.683 1.00 13.51 N ATOM 0 H HIS A 82 -3.434 -9.683 0.537 1.00 22.13 H new ATOM 0 HA HIS A 82 -0.677 -10.292 1.016 1.00 22.32 H new ATOM 0 HB2 HIS A 82 -2.334 -11.219 -0.763 1.00 60.14 H new ATOM 0 HB3 HIS A 82 -1.989 -9.754 -1.661 1.00 60.14 H new ATOM 0 HD2 HIS A 82 0.003 -10.199 -3.445 1.00 31.12 H new ATOM 0 HE1 HIS A 82 2.145 -13.156 -1.285 1.00 4.11 H new ATOM 0 HE2 HIS A 82 2.055 -11.809 -3.443 1.00 13.51 H new ATOM 1331 N ILE A 83 0.583 -8.231 0.513 1.00 23.15 N ATOM 1332 CA ILE A 83 1.332 -6.998 0.306 1.00 3.12 C ATOM 1333 C ILE A 83 2.465 -7.204 -0.694 1.00 31.11 C ATOM 1334 O ILE A 83 3.132 -8.238 -0.686 1.00 32.11 O ATOM 1335 CB ILE A 83 1.919 -6.467 1.627 1.00 3.03 C ATOM 1336 CG1 ILE A 83 0.981 -6.787 2.793 1.00 51.13 C ATOM 1337 CG2 ILE A 83 2.164 -4.968 1.534 1.00 64.45 C ATOM 1338 CD1 ILE A 83 1.445 -6.219 4.116 1.00 64.43 C ATOM 0 H ILE A 83 1.106 -8.967 0.988 1.00 23.15 H new ATOM 0 HA ILE A 83 0.629 -6.265 -0.090 1.00 3.12 H new ATOM 0 HB ILE A 83 2.874 -6.961 1.807 1.00 3.03 H new ATOM 0 HG12 ILE A 83 -0.012 -6.397 2.568 1.00 51.13 H new ATOM 0 HG13 ILE A 83 0.885 -7.869 2.885 1.00 51.13 H new ATOM 0 HG21 ILE A 83 2.579 -4.608 2.475 1.00 64.45 H new ATOM 0 HG22 ILE A 83 2.867 -4.764 0.726 1.00 64.45 H new ATOM 0 HG23 ILE A 83 1.222 -4.457 1.334 1.00 64.45 H new ATOM 0 HD11 ILE A 83 0.732 -6.485 4.896 1.00 64.43 H new ATOM 0 HD12 ILE A 83 2.424 -6.628 4.364 1.00 64.43 H new ATOM 0 HD13 ILE A 83 1.514 -5.134 4.042 1.00 64.43 H new ATOM 1350 N GLU A 84 2.677 -6.212 -1.553 1.00 12.34 N ATOM 1351 CA GLU A 84 3.730 -6.285 -2.558 1.00 41.44 C ATOM 1352 C GLU A 84 4.335 -4.907 -2.813 1.00 62.13 C ATOM 1353 O GLU A 84 3.762 -3.885 -2.436 1.00 5.25 O ATOM 1354 CB GLU A 84 3.180 -6.862 -3.864 1.00 52.33 C ATOM 1355 CG GLU A 84 3.024 -8.373 -3.844 1.00 1.00 C ATOM 1356 CD GLU A 84 3.345 -9.011 -5.182 1.00 5.43 C ATOM 1357 OE1 GLU A 84 2.915 -8.464 -6.219 1.00 32.43 O ATOM 1358 OE2 GLU A 84 4.028 -10.056 -5.191 1.00 23.30 O ATOM 0 H GLU A 84 2.134 -5.349 -1.573 1.00 12.34 H new ATOM 0 HA GLU A 84 4.513 -6.942 -2.180 1.00 41.44 H new ATOM 0 HB2 GLU A 84 2.211 -6.408 -4.072 1.00 52.33 H new ATOM 0 HB3 GLU A 84 3.845 -6.585 -4.682 1.00 52.33 H new ATOM 0 HG2 GLU A 84 3.679 -8.792 -3.080 1.00 1.00 H new ATOM 0 HG3 GLU A 84 2.002 -8.625 -3.561 1.00 1.00 H new ATOM 1365 N LYS A 85 5.498 -4.888 -3.457 1.00 13.04 N ATOM 1366 CA LYS A 85 6.182 -3.638 -3.764 1.00 2.21 C ATOM 1367 C LYS A 85 5.633 -3.017 -5.044 1.00 55.11 C ATOM 1368 O LYS A 85 5.473 -3.698 -6.056 1.00 70.15 O ATOM 1369 CB LYS A 85 7.687 -3.878 -3.906 1.00 51.11 C ATOM 1370 CG LYS A 85 8.527 -2.637 -3.657 1.00 60.24 C ATOM 1371 CD LYS A 85 10.000 -2.981 -3.510 1.00 73.31 C ATOM 1372 CE LYS A 85 10.758 -2.752 -4.808 1.00 43.33 C ATOM 1373 NZ LYS A 85 12.124 -3.345 -4.765 1.00 55.13 N ATOM 0 H LYS A 85 5.986 -5.725 -3.776 1.00 13.04 H new ATOM 0 HA LYS A 85 6.006 -2.945 -2.941 1.00 2.21 H new ATOM 0 HB2 LYS A 85 7.990 -4.658 -3.207 1.00 51.11 H new ATOM 0 HB3 LYS A 85 7.894 -4.251 -4.909 1.00 51.11 H new ATOM 0 HG2 LYS A 85 8.397 -1.937 -4.482 1.00 60.24 H new ATOM 0 HG3 LYS A 85 8.178 -2.135 -2.755 1.00 60.24 H new ATOM 0 HD2 LYS A 85 10.439 -2.373 -2.719 1.00 73.31 H new ATOM 0 HD3 LYS A 85 10.103 -4.023 -3.206 1.00 73.31 H new ATOM 0 HE2 LYS A 85 10.199 -3.187 -5.637 1.00 43.33 H new ATOM 0 HE3 LYS A 85 10.833 -1.682 -5.001 1.00 43.33 H new ATOM 0 HZ1 LYS A 85 12.608 -3.167 -5.668 1.00 55.13 H new ATOM 0 HZ2 LYS A 85 12.666 -2.912 -3.990 1.00 55.13 H new ATOM 0 HZ3 LYS A 85 12.053 -4.370 -4.606 1.00 55.13 H new ATOM 1387 N ALA A 86 5.346 -1.720 -4.992 1.00 22.21 N ATOM 1388 CA ALA A 86 4.818 -1.007 -6.148 1.00 61.34 C ATOM 1389 C ALA A 86 5.945 -0.476 -7.028 1.00 21.33 C ATOM 1390 O ALA A 86 7.075 -0.303 -6.570 1.00 71.21 O ATOM 1391 CB ALA A 86 3.915 0.132 -5.699 1.00 62.11 C ATOM 0 H ALA A 86 5.471 -1.142 -4.161 1.00 22.21 H new ATOM 0 HA ALA A 86 4.231 -1.710 -6.739 1.00 61.34 H new ATOM 0 HB1 ALA A 86 3.528 0.656 -6.573 1.00 62.11 H new ATOM 0 HB2 ALA A 86 3.084 -0.269 -5.119 1.00 62.11 H new ATOM 0 HB3 ALA A 86 4.485 0.827 -5.083 1.00 62.11 H new ATOM 1397 N LYS A 87 5.631 -0.220 -8.293 1.00 42.11 N ATOM 1398 CA LYS A 87 6.617 0.292 -9.238 1.00 11.23 C ATOM 1399 C LYS A 87 5.975 1.270 -10.217 1.00 23.00 C ATOM 1400 O LYS A 87 4.835 1.082 -10.640 1.00 4.14 O ATOM 1401 CB LYS A 87 7.266 -0.862 -10.005 1.00 22.03 C ATOM 1402 CG LYS A 87 6.351 -1.498 -11.037 1.00 11.52 C ATOM 1403 CD LYS A 87 7.062 -2.592 -11.815 1.00 5.41 C ATOM 1404 CE LYS A 87 8.007 -2.011 -12.856 1.00 2.10 C ATOM 1405 NZ LYS A 87 9.397 -2.518 -12.688 1.00 3.44 N ATOM 0 H LYS A 87 4.701 -0.359 -8.688 1.00 42.11 H new ATOM 0 HA LYS A 87 7.384 0.821 -8.673 1.00 11.23 H new ATOM 0 HB2 LYS A 87 8.163 -0.496 -10.504 1.00 22.03 H new ATOM 0 HB3 LYS A 87 7.585 -1.625 -9.295 1.00 22.03 H new ATOM 0 HG2 LYS A 87 5.475 -1.915 -10.540 1.00 11.52 H new ATOM 0 HG3 LYS A 87 5.993 -0.734 -11.727 1.00 11.52 H new ATOM 0 HD2 LYS A 87 7.622 -3.225 -11.126 1.00 5.41 H new ATOM 0 HD3 LYS A 87 6.326 -3.229 -12.305 1.00 5.41 H new ATOM 0 HE2 LYS A 87 7.647 -2.262 -13.854 1.00 2.10 H new ATOM 0 HE3 LYS A 87 8.006 -0.924 -12.781 1.00 2.10 H new ATOM 0 HZ1 LYS A 87 10.010 -2.099 -13.416 1.00 3.44 H new ATOM 0 HZ2 LYS A 87 9.750 -2.256 -11.745 1.00 3.44 H new ATOM 0 HZ3 LYS A 87 9.403 -3.553 -12.785 1.00 3.44 H new ATOM 1419 N GLY A 88 6.717 2.314 -10.575 1.00 15.30 N ATOM 1420 CA GLY A 88 6.203 3.305 -11.503 1.00 23.10 C ATOM 1421 C GLY A 88 6.062 4.675 -10.869 1.00 74.52 C ATOM 1422 O GLY A 88 6.466 4.883 -9.725 1.00 3.11 O ATOM 0 H GLY A 88 7.664 2.491 -10.239 1.00 15.30 H new ATOM 0 HA2 GLY A 88 6.869 3.373 -12.363 1.00 23.10 H new ATOM 0 HA3 GLY A 88 5.232 2.979 -11.877 1.00 23.10 H new ATOM 1426 N THR A 89 5.486 5.613 -11.614 1.00 45.35 N ATOM 1427 CA THR A 89 5.295 6.971 -11.120 1.00 61.11 C ATOM 1428 C THR A 89 3.944 7.120 -10.430 1.00 72.55 C ATOM 1429 O THR A 89 3.129 6.197 -10.435 1.00 71.32 O ATOM 1430 CB THR A 89 5.393 8.003 -12.260 1.00 24.24 C ATOM 1431 OG1 THR A 89 4.256 7.890 -13.122 1.00 51.01 O ATOM 1432 CG2 THR A 89 6.668 7.800 -13.064 1.00 44.53 C ATOM 0 H THR A 89 5.144 5.457 -12.562 1.00 45.35 H new ATOM 0 HA THR A 89 6.091 7.160 -10.400 1.00 61.11 H new ATOM 0 HB THR A 89 5.415 8.999 -11.818 1.00 24.24 H new ATOM 0 HG1 THR A 89 4.325 8.550 -13.843 1.00 51.01 H new ATOM 0 HG21 THR A 89 6.716 8.540 -13.863 1.00 44.53 H new ATOM 0 HG22 THR A 89 7.533 7.916 -12.410 1.00 44.53 H new ATOM 0 HG23 THR A 89 6.671 6.799 -13.495 1.00 44.53 H new ATOM 1440 N ASP A 90 3.712 8.286 -9.839 1.00 10.11 N ATOM 1441 CA ASP A 90 2.458 8.556 -9.146 1.00 55.21 C ATOM 1442 C ASP A 90 1.265 8.311 -10.066 1.00 2.14 C ATOM 1443 O ASP A 90 0.243 7.773 -9.641 1.00 50.30 O ATOM 1444 CB ASP A 90 2.434 9.997 -8.633 1.00 33.35 C ATOM 1445 CG ASP A 90 2.755 11.004 -9.719 1.00 53.10 C ATOM 1446 OD1 ASP A 90 1.854 11.311 -10.528 1.00 3.13 O ATOM 1447 OD2 ASP A 90 3.907 11.485 -9.761 1.00 72.12 O ATOM 0 H ASP A 90 4.376 9.060 -9.826 1.00 10.11 H new ATOM 0 HA ASP A 90 2.386 7.875 -8.298 1.00 55.21 H new ATOM 0 HB2 ASP A 90 1.450 10.216 -8.219 1.00 33.35 H new ATOM 0 HB3 ASP A 90 3.153 10.102 -7.820 1.00 33.35 H new ATOM 1452 N GLN A 91 1.404 8.710 -11.326 1.00 3.33 N ATOM 1453 CA GLN A 91 0.337 8.535 -12.304 1.00 44.21 C ATOM 1454 C GLN A 91 0.140 7.060 -12.637 1.00 24.14 C ATOM 1455 O GLN A 91 -0.983 6.609 -12.859 1.00 10.33 O ATOM 1456 CB GLN A 91 0.652 9.320 -13.579 1.00 30.11 C ATOM 1457 CG GLN A 91 -0.532 9.446 -14.523 1.00 54.15 C ATOM 1458 CD GLN A 91 -1.567 10.440 -14.033 1.00 21.31 C ATOM 1459 OE1 GLN A 91 -1.318 11.645 -13.994 1.00 63.14 O ATOM 1460 NE2 GLN A 91 -2.737 9.938 -13.655 1.00 1.33 N ATOM 0 H GLN A 91 2.244 9.156 -11.693 1.00 3.33 H new ATOM 0 HA GLN A 91 -0.587 8.917 -11.869 1.00 44.21 H new ATOM 0 HB2 GLN A 91 0.996 10.318 -13.306 1.00 30.11 H new ATOM 0 HB3 GLN A 91 1.474 8.832 -14.103 1.00 30.11 H new ATOM 0 HG2 GLN A 91 -0.176 9.753 -15.507 1.00 54.15 H new ATOM 0 HG3 GLN A 91 -1.001 8.469 -14.644 1.00 54.15 H new ATOM 0 HE21 GLN A 91 -2.900 8.932 -13.704 1.00 1.33 H new ATOM 0 HE22 GLN A 91 -3.472 10.558 -13.316 1.00 1.33 H new ATOM 1469 N GLN A 92 1.240 6.314 -12.669 1.00 71.21 N ATOM 1470 CA GLN A 92 1.187 4.889 -12.976 1.00 0.31 C ATOM 1471 C GLN A 92 0.470 4.121 -11.871 1.00 31.22 C ATOM 1472 O GLN A 92 -0.260 3.167 -12.138 1.00 11.32 O ATOM 1473 CB GLN A 92 2.600 4.334 -13.165 1.00 53.14 C ATOM 1474 CG GLN A 92 3.063 4.332 -14.613 1.00 62.32 C ATOM 1475 CD GLN A 92 3.743 3.035 -15.006 1.00 43.11 C ATOM 1476 OE1 GLN A 92 3.083 2.043 -15.315 1.00 33.24 O ATOM 1477 NE2 GLN A 92 5.071 3.036 -14.997 1.00 42.42 N ATOM 0 H GLN A 92 2.177 6.672 -12.486 1.00 71.21 H new ATOM 0 HA GLN A 92 0.628 4.763 -13.903 1.00 0.31 H new ATOM 0 HB2 GLN A 92 3.296 4.925 -12.570 1.00 53.14 H new ATOM 0 HB3 GLN A 92 2.636 3.315 -12.779 1.00 53.14 H new ATOM 0 HG2 GLN A 92 2.206 4.501 -15.265 1.00 62.32 H new ATOM 0 HG3 GLN A 92 3.752 5.162 -14.771 1.00 62.32 H new ATOM 0 HE21 GLN A 92 5.579 3.881 -14.734 1.00 42.42 H new ATOM 0 HE22 GLN A 92 5.583 2.192 -15.253 1.00 42.42 H new ATOM 1486 N ASN A 93 0.684 4.543 -10.629 1.00 31.43 N ATOM 1487 CA ASN A 93 0.058 3.893 -9.482 1.00 64.05 C ATOM 1488 C ASN A 93 -1.401 4.318 -9.346 1.00 24.42 C ATOM 1489 O ASN A 93 -2.284 3.486 -9.136 1.00 0.23 O ATOM 1490 CB ASN A 93 0.822 4.230 -8.200 1.00 34.21 C ATOM 1491 CG ASN A 93 2.103 3.431 -8.063 1.00 64.01 C ATOM 1492 OD1 ASN A 93 2.407 2.902 -6.994 1.00 30.22 O ATOM 1493 ND2 ASN A 93 2.863 3.341 -9.149 1.00 33.32 N ATOM 0 H ASN A 93 1.286 5.332 -10.391 1.00 31.43 H new ATOM 0 HA ASN A 93 0.090 2.815 -9.643 1.00 64.05 H new ATOM 0 HB2 ASN A 93 1.058 5.294 -8.190 1.00 34.21 H new ATOM 0 HB3 ASN A 93 0.183 4.037 -7.338 1.00 34.21 H new ATOM 0 HD21 ASN A 93 3.738 2.817 -9.117 1.00 33.32 H new ATOM 0 HD22 ASN A 93 2.572 3.796 -10.014 1.00 33.32 H new ATOM 1500 N LYS A 94 -1.646 5.618 -9.467 1.00 74.22 N ATOM 1501 CA LYS A 94 -2.998 6.155 -9.359 1.00 63.35 C ATOM 1502 C LYS A 94 -3.897 5.590 -10.455 1.00 24.33 C ATOM 1503 O LYS A 94 -5.038 5.208 -10.197 1.00 64.34 O ATOM 1504 CB LYS A 94 -2.970 7.682 -9.445 1.00 40.43 C ATOM 1505 CG LYS A 94 -4.327 8.329 -9.229 1.00 75.52 C ATOM 1506 CD LYS A 94 -4.216 9.841 -9.132 1.00 71.20 C ATOM 1507 CE LYS A 94 -5.418 10.530 -9.761 1.00 23.35 C ATOM 1508 NZ LYS A 94 -5.115 11.938 -10.139 1.00 22.23 N ATOM 0 H LYS A 94 -0.926 6.320 -9.640 1.00 74.22 H new ATOM 0 HA LYS A 94 -3.404 5.859 -8.392 1.00 63.35 H new ATOM 0 HB2 LYS A 94 -2.271 8.066 -8.702 1.00 40.43 H new ATOM 0 HB3 LYS A 94 -2.589 7.975 -10.423 1.00 40.43 H new ATOM 0 HG2 LYS A 94 -4.992 8.064 -10.051 1.00 75.52 H new ATOM 0 HG3 LYS A 94 -4.777 7.937 -8.317 1.00 75.52 H new ATOM 0 HD2 LYS A 94 -4.134 10.134 -8.085 1.00 71.20 H new ATOM 0 HD3 LYS A 94 -3.304 10.173 -9.629 1.00 71.20 H new ATOM 0 HE2 LYS A 94 -5.732 9.976 -10.646 1.00 23.35 H new ATOM 0 HE3 LYS A 94 -6.253 10.514 -9.061 1.00 23.35 H new ATOM 0 HZ1 LYS A 94 -5.959 12.373 -10.564 1.00 22.23 H new ATOM 0 HZ2 LYS A 94 -4.839 12.473 -9.291 1.00 22.23 H new ATOM 0 HZ3 LYS A 94 -4.335 11.953 -10.826 1.00 22.23 H new ATOM 1522 N GLU A 95 -3.374 5.539 -11.676 1.00 25.22 N ATOM 1523 CA GLU A 95 -4.130 5.019 -12.809 1.00 40.41 C ATOM 1524 C GLU A 95 -4.306 3.508 -12.698 1.00 75.34 C ATOM 1525 O GLU A 95 -5.346 2.964 -13.074 1.00 25.03 O ATOM 1526 CB GLU A 95 -3.426 5.367 -14.123 1.00 34.13 C ATOM 1527 CG GLU A 95 -4.357 5.394 -15.323 1.00 74.22 C ATOM 1528 CD GLU A 95 -4.250 4.142 -16.173 1.00 12.42 C ATOM 1529 OE1 GLU A 95 -3.149 3.872 -16.696 1.00 10.23 O ATOM 1530 OE2 GLU A 95 -5.268 3.433 -16.314 1.00 54.11 O ATOM 0 H GLU A 95 -2.431 5.851 -11.906 1.00 25.22 H new ATOM 0 HA GLU A 95 -5.116 5.484 -12.799 1.00 40.41 H new ATOM 0 HB2 GLU A 95 -2.948 6.341 -14.022 1.00 34.13 H new ATOM 0 HB3 GLU A 95 -2.634 4.641 -14.305 1.00 34.13 H new ATOM 0 HG2 GLU A 95 -5.385 5.508 -14.978 1.00 74.22 H new ATOM 0 HG3 GLU A 95 -4.128 6.266 -15.936 1.00 74.22 H new ATOM 1537 N TYR A 96 -3.284 2.835 -12.181 1.00 53.15 N ATOM 1538 CA TYR A 96 -3.324 1.386 -12.024 1.00 12.11 C ATOM 1539 C TYR A 96 -4.512 0.964 -11.165 1.00 12.14 C ATOM 1540 O TYR A 96 -5.257 0.050 -11.521 1.00 51.43 O ATOM 1541 CB TYR A 96 -2.023 0.884 -11.396 1.00 43.42 C ATOM 1542 CG TYR A 96 -2.032 -0.595 -11.085 1.00 65.33 C ATOM 1543 CD1 TYR A 96 -2.554 -1.070 -9.889 1.00 32.53 C ATOM 1544 CD2 TYR A 96 -1.516 -1.518 -11.987 1.00 74.02 C ATOM 1545 CE1 TYR A 96 -2.564 -2.421 -9.600 1.00 22.42 C ATOM 1546 CE2 TYR A 96 -1.523 -2.871 -11.708 1.00 12.25 C ATOM 1547 CZ TYR A 96 -2.048 -3.318 -10.513 1.00 3.54 C ATOM 1548 OH TYR A 96 -2.055 -4.664 -10.230 1.00 20.24 O ATOM 0 H TYR A 96 -2.418 3.270 -11.864 1.00 53.15 H new ATOM 0 HA TYR A 96 -3.437 0.942 -13.013 1.00 12.11 H new ATOM 0 HB2 TYR A 96 -1.196 1.099 -12.073 1.00 43.42 H new ATOM 0 HB3 TYR A 96 -1.835 1.439 -10.477 1.00 43.42 H new ATOM 0 HD1 TYR A 96 -2.959 -0.371 -9.172 1.00 32.53 H new ATOM 0 HD2 TYR A 96 -1.102 -1.171 -12.922 1.00 74.02 H new ATOM 0 HE1 TYR A 96 -2.973 -2.773 -8.665 1.00 22.42 H new ATOM 0 HE2 TYR A 96 -1.120 -3.575 -12.421 1.00 12.25 H new ATOM 0 HH TYR A 96 -2.509 -4.816 -9.375 1.00 20.24 H new ATOM 1558 N CYS A 97 -4.683 1.636 -10.032 1.00 4.43 N ATOM 1559 CA CYS A 97 -5.780 1.332 -9.120 1.00 2.31 C ATOM 1560 C CYS A 97 -7.122 1.705 -9.741 1.00 30.01 C ATOM 1561 O CYS A 97 -8.128 1.031 -9.520 1.00 71.00 O ATOM 1562 CB CYS A 97 -5.592 2.076 -7.797 1.00 10.20 C ATOM 1563 SG CYS A 97 -4.028 1.717 -6.964 1.00 12.05 S ATOM 0 H CYS A 97 -4.076 2.395 -9.723 1.00 4.43 H new ATOM 0 HA CYS A 97 -5.774 0.259 -8.929 1.00 2.31 H new ATOM 0 HB2 CYS A 97 -5.654 3.148 -7.983 1.00 10.20 H new ATOM 0 HB3 CYS A 97 -6.414 1.820 -7.129 1.00 10.20 H new ATOM 0 HG CYS A 97 -3.054 2.298 -7.600 1.00 12.05 H new ATOM 1569 N SER A 98 -7.130 2.784 -10.517 1.00 62.35 N ATOM 1570 CA SER A 98 -8.350 3.250 -11.166 1.00 63.23 C ATOM 1571 C SER A 98 -8.673 2.398 -12.390 1.00 55.31 C ATOM 1572 O SER A 98 -9.773 2.471 -12.939 1.00 51.40 O ATOM 1573 CB SER A 98 -8.206 4.717 -11.575 1.00 54.11 C ATOM 1574 OG SER A 98 -9.475 5.334 -11.713 1.00 44.20 O ATOM 0 H SER A 98 -6.305 3.352 -10.712 1.00 62.35 H new ATOM 0 HA SER A 98 -9.170 3.158 -10.454 1.00 63.23 H new ATOM 0 HB2 SER A 98 -7.618 5.250 -10.828 1.00 54.11 H new ATOM 0 HB3 SER A 98 -7.661 4.784 -12.517 1.00 54.11 H new ATOM 0 HG SER A 98 -9.356 6.271 -11.973 1.00 44.20 H new ATOM 1580 N LYS A 99 -7.707 1.590 -12.813 1.00 53.31 N ATOM 1581 CA LYS A 99 -7.887 0.723 -13.971 1.00 70.41 C ATOM 1582 C LYS A 99 -9.081 -0.206 -13.775 1.00 53.21 C ATOM 1583 O LYS A 99 -9.658 -0.702 -14.742 1.00 42.13 O ATOM 1584 CB LYS A 99 -6.622 -0.102 -14.218 1.00 4.13 C ATOM 1585 CG LYS A 99 -6.720 -1.021 -15.423 1.00 44.32 C ATOM 1586 CD LYS A 99 -5.486 -1.897 -15.558 1.00 45.24 C ATOM 1587 CE LYS A 99 -5.332 -2.832 -14.368 1.00 54.52 C ATOM 1588 NZ LYS A 99 -4.945 -4.206 -14.789 1.00 62.40 N ATOM 0 H LYS A 99 -6.791 1.518 -12.371 1.00 53.31 H new ATOM 0 HA LYS A 99 -8.078 1.354 -14.839 1.00 70.41 H new ATOM 0 HB2 LYS A 99 -5.778 0.574 -14.355 1.00 4.13 H new ATOM 0 HB3 LYS A 99 -6.410 -0.700 -13.332 1.00 4.13 H new ATOM 0 HG2 LYS A 99 -7.605 -1.650 -15.331 1.00 44.32 H new ATOM 0 HG3 LYS A 99 -6.845 -0.425 -16.327 1.00 44.32 H new ATOM 0 HD2 LYS A 99 -5.553 -2.482 -16.475 1.00 45.24 H new ATOM 0 HD3 LYS A 99 -4.600 -1.268 -15.645 1.00 45.24 H new ATOM 0 HE2 LYS A 99 -4.578 -2.434 -13.689 1.00 54.52 H new ATOM 0 HE3 LYS A 99 -6.270 -2.873 -13.814 1.00 54.52 H new ATOM 0 HZ1 LYS A 99 -4.850 -4.813 -13.950 1.00 62.40 H new ATOM 0 HZ2 LYS A 99 -5.677 -4.596 -15.417 1.00 62.40 H new ATOM 0 HZ3 LYS A 99 -4.037 -4.171 -15.295 1.00 62.40 H new ATOM 1602 N GLU A 100 -9.447 -0.434 -12.518 1.00 34.53 N ATOM 1603 CA GLU A 100 -10.574 -1.303 -12.197 1.00 21.02 C ATOM 1604 C GLU A 100 -11.898 -0.626 -12.540 1.00 22.11 C ATOM 1605 O GLU A 100 -12.925 -1.287 -12.690 1.00 2.34 O ATOM 1606 CB GLU A 100 -10.550 -1.679 -10.714 1.00 31.22 C ATOM 1607 CG GLU A 100 -9.174 -2.082 -10.210 1.00 14.20 C ATOM 1608 CD GLU A 100 -9.239 -3.094 -9.083 1.00 31.30 C ATOM 1609 OE1 GLU A 100 -10.015 -2.871 -8.130 1.00 24.03 O ATOM 1610 OE2 GLU A 100 -8.515 -4.109 -9.154 1.00 1.12 O ATOM 0 H GLU A 100 -8.981 -0.030 -11.706 1.00 34.53 H new ATOM 0 HA GLU A 100 -10.483 -2.209 -12.796 1.00 21.02 H new ATOM 0 HB2 GLU A 100 -10.909 -0.833 -10.128 1.00 31.22 H new ATOM 0 HB3 GLU A 100 -11.245 -2.502 -10.545 1.00 31.22 H new ATOM 0 HG2 GLU A 100 -8.597 -2.499 -11.035 1.00 14.20 H new ATOM 0 HG3 GLU A 100 -8.643 -1.194 -9.866 1.00 14.20 H new ATOM 1617 N GLY A 101 -11.865 0.698 -12.662 1.00 61.54 N ATOM 1618 CA GLY A 101 -13.067 1.443 -12.986 1.00 74.31 C ATOM 1619 C GLY A 101 -13.903 1.756 -11.761 1.00 22.24 C ATOM 1620 O GLY A 101 -14.923 2.437 -11.854 1.00 61.13 O ATOM 0 H GLY A 101 -11.027 1.267 -12.542 1.00 61.54 H new ATOM 0 HA2 GLY A 101 -12.791 2.374 -13.481 1.00 74.31 H new ATOM 0 HA3 GLY A 101 -13.666 0.870 -13.694 1.00 74.31 H new ATOM 1624 N ASN A 102 -13.470 1.256 -10.608 1.00 31.33 N ATOM 1625 CA ASN A 102 -14.187 1.484 -9.358 1.00 40.24 C ATOM 1626 C ASN A 102 -13.230 1.924 -8.255 1.00 21.24 C ATOM 1627 O ASN A 102 -12.257 1.233 -7.950 1.00 23.12 O ATOM 1628 CB ASN A 102 -14.927 0.215 -8.931 1.00 71.04 C ATOM 1629 CG ASN A 102 -16.401 0.463 -8.678 1.00 15.24 C ATOM 1630 OD1 ASN A 102 -17.141 0.857 -9.580 1.00 65.42 O ATOM 1631 ND2 ASN A 102 -16.836 0.234 -7.444 1.00 30.11 N ATOM 0 H ASN A 102 -12.626 0.690 -10.513 1.00 31.33 H new ATOM 0 HA ASN A 102 -14.912 2.280 -9.524 1.00 40.24 H new ATOM 0 HB2 ASN A 102 -14.817 -0.544 -9.705 1.00 71.04 H new ATOM 0 HB3 ASN A 102 -14.468 -0.183 -8.026 1.00 71.04 H new ATOM 0 HD21 ASN A 102 -17.818 0.384 -7.213 1.00 30.11 H new ATOM 0 HD22 ASN A 102 -16.188 -0.092 -6.727 1.00 30.11 H new ATOM 1638 N LEU A 103 -13.513 3.077 -7.658 1.00 61.35 N ATOM 1639 CA LEU A 103 -12.678 3.609 -6.587 1.00 51.43 C ATOM 1640 C LEU A 103 -13.268 3.277 -5.221 1.00 20.35 C ATOM 1641 O LEU A 103 -14.472 3.418 -5.001 1.00 3.12 O ATOM 1642 CB LEU A 103 -12.529 5.124 -6.736 1.00 4.41 C ATOM 1643 CG LEU A 103 -11.110 5.638 -6.984 1.00 22.21 C ATOM 1644 CD1 LEU A 103 -10.259 5.482 -5.733 1.00 33.22 C ATOM 1645 CD2 LEU A 103 -10.475 4.905 -8.157 1.00 51.51 C ATOM 0 H LEU A 103 -14.314 3.661 -7.898 1.00 61.35 H new ATOM 0 HA LEU A 103 -11.695 3.144 -6.660 1.00 51.43 H new ATOM 0 HB2 LEU A 103 -13.162 5.452 -7.561 1.00 4.41 H new ATOM 0 HB3 LEU A 103 -12.913 5.597 -5.832 1.00 4.41 H new ATOM 0 HG LEU A 103 -11.166 6.698 -7.230 1.00 22.21 H new ATOM 0 HD11 LEU A 103 -9.253 5.853 -5.929 1.00 33.22 H new ATOM 0 HD12 LEU A 103 -10.704 6.052 -4.917 1.00 33.22 H new ATOM 0 HD13 LEU A 103 -10.210 4.429 -5.455 1.00 33.22 H new ATOM 0 HD21 LEU A 103 -9.466 5.283 -8.319 1.00 51.51 H new ATOM 0 HD22 LEU A 103 -10.432 3.838 -7.939 1.00 51.51 H new ATOM 0 HD23 LEU A 103 -11.072 5.068 -9.054 1.00 51.51 H new ATOM 1657 N LEU A 104 -12.413 2.836 -4.304 1.00 41.24 N ATOM 1658 CA LEU A 104 -12.849 2.485 -2.957 1.00 44.40 C ATOM 1659 C LEU A 104 -12.504 3.594 -1.967 1.00 71.24 C ATOM 1660 O LEU A 104 -13.247 3.845 -1.019 1.00 41.41 O ATOM 1661 CB LEU A 104 -12.200 1.172 -2.516 1.00 1.34 C ATOM 1662 CG LEU A 104 -13.009 0.319 -1.538 1.00 10.31 C ATOM 1663 CD1 LEU A 104 -13.209 1.059 -0.224 1.00 73.50 C ATOM 1664 CD2 LEU A 104 -14.350 -0.063 -2.147 1.00 12.31 C ATOM 0 H LEU A 104 -11.414 2.713 -4.469 1.00 41.24 H new ATOM 0 HA LEU A 104 -13.932 2.361 -2.972 1.00 44.40 H new ATOM 0 HB2 LEU A 104 -11.995 0.575 -3.404 1.00 1.34 H new ATOM 0 HB3 LEU A 104 -11.238 1.401 -2.057 1.00 1.34 H new ATOM 0 HG LEU A 104 -12.451 -0.595 -1.335 1.00 10.31 H new ATOM 0 HD11 LEU A 104 -13.787 0.437 0.460 1.00 73.50 H new ATOM 0 HD12 LEU A 104 -12.239 1.281 0.220 1.00 73.50 H new ATOM 0 HD13 LEU A 104 -13.745 1.990 -0.409 1.00 73.50 H new ATOM 0 HD21 LEU A 104 -14.912 -0.670 -1.437 1.00 12.31 H new ATOM 0 HD22 LEU A 104 -14.914 0.840 -2.379 1.00 12.31 H new ATOM 0 HD23 LEU A 104 -14.185 -0.633 -3.061 1.00 12.31 H new ATOM 1676 N MET A 105 -11.374 4.254 -2.197 1.00 1.43 N ATOM 1677 CA MET A 105 -10.933 5.339 -1.327 1.00 31.31 C ATOM 1678 C MET A 105 -9.939 6.244 -2.047 1.00 64.53 C ATOM 1679 O MET A 105 -9.045 5.766 -2.745 1.00 62.22 O ATOM 1680 CB MET A 105 -10.298 4.774 -0.055 1.00 0.45 C ATOM 1681 CG MET A 105 -9.300 5.718 0.596 1.00 25.13 C ATOM 1682 SD MET A 105 -9.232 5.530 2.388 1.00 34.23 S ATOM 1683 CE MET A 105 -7.746 4.547 2.570 1.00 10.01 C ATOM 0 H MET A 105 -10.747 4.057 -2.977 1.00 1.43 H new ATOM 0 HA MET A 105 -11.806 5.932 -1.056 1.00 31.31 H new ATOM 0 HB2 MET A 105 -11.085 4.540 0.662 1.00 0.45 H new ATOM 0 HB3 MET A 105 -9.796 3.836 -0.295 1.00 0.45 H new ATOM 0 HG2 MET A 105 -8.310 5.538 0.178 1.00 25.13 H new ATOM 0 HG3 MET A 105 -9.567 6.746 0.352 1.00 25.13 H new ATOM 0 HE1 MET A 105 -7.400 4.598 3.602 1.00 10.01 H new ATOM 0 HE2 MET A 105 -7.961 3.511 2.310 1.00 10.01 H new ATOM 0 HE3 MET A 105 -6.971 4.933 1.908 1.00 10.01 H new ATOM 1693 N GLU A 106 -10.101 7.551 -1.873 1.00 52.41 N ATOM 1694 CA GLU A 106 -9.217 8.522 -2.509 1.00 33.35 C ATOM 1695 C GLU A 106 -8.700 9.534 -1.491 1.00 2.31 C ATOM 1696 O GLU A 106 -9.435 10.419 -1.050 1.00 72.34 O ATOM 1697 CB GLU A 106 -9.949 9.247 -3.640 1.00 10.24 C ATOM 1698 CG GLU A 106 -9.038 10.104 -4.502 1.00 52.44 C ATOM 1699 CD GLU A 106 -9.616 11.480 -4.773 1.00 0.00 C ATOM 1700 OE1 GLU A 106 -10.858 11.604 -4.818 1.00 44.33 O ATOM 1701 OE2 GLU A 106 -8.825 12.433 -4.939 1.00 75.42 O ATOM 0 H GLU A 106 -10.836 7.963 -1.297 1.00 52.41 H new ATOM 0 HA GLU A 106 -8.365 7.983 -2.925 1.00 33.35 H new ATOM 0 HB2 GLU A 106 -10.445 8.510 -4.271 1.00 10.24 H new ATOM 0 HB3 GLU A 106 -10.729 9.877 -3.212 1.00 10.24 H new ATOM 0 HG2 GLU A 106 -8.072 10.211 -4.009 1.00 52.44 H new ATOM 0 HG3 GLU A 106 -8.858 9.597 -5.450 1.00 52.44 H new ATOM 1708 N CYS A 107 -7.431 9.398 -1.122 1.00 71.32 N ATOM 1709 CA CYS A 107 -6.815 10.299 -0.155 1.00 45.34 C ATOM 1710 C CYS A 107 -5.361 10.580 -0.524 1.00 14.13 C ATOM 1711 O CYS A 107 -4.834 10.020 -1.484 1.00 53.20 O ATOM 1712 CB CYS A 107 -6.891 9.702 1.251 1.00 43.34 C ATOM 1713 SG CYS A 107 -8.576 9.480 1.868 1.00 63.43 S ATOM 0 H CYS A 107 -6.809 8.672 -1.478 1.00 71.32 H new ATOM 0 HA CYS A 107 -7.364 11.240 -0.171 1.00 45.34 H new ATOM 0 HB2 CYS A 107 -6.385 8.737 1.252 1.00 43.34 H new ATOM 0 HB3 CYS A 107 -6.346 10.349 1.939 1.00 43.34 H new ATOM 0 HG CYS A 107 -9.424 9.877 0.966 1.00 63.43 H new ATOM 1719 N GLY A 108 -4.719 11.453 0.246 1.00 10.33 N ATOM 1720 CA GLY A 108 -3.333 11.795 -0.016 1.00 53.01 C ATOM 1721 C GLY A 108 -3.144 12.450 -1.370 1.00 11.42 C ATOM 1722 O GLY A 108 -4.114 12.720 -2.077 1.00 72.24 O ATOM 0 H GLY A 108 -5.134 11.930 1.047 1.00 10.33 H new ATOM 0 HA2 GLY A 108 -2.974 12.468 0.763 1.00 53.01 H new ATOM 0 HA3 GLY A 108 -2.723 10.893 0.036 1.00 53.01 H new