USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 694 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 35 ASN : amide:sc= -4.99! K(o=-6.3!,f=-3.1) USER MOD Set 1.2: A 39 ASN : amide:sc= -1.31 K(o=-6.3,f=-5.1) USER MOD Set 2.1: A 34 HIS : no HE2:sc= -14.5! C(o=-15!,f=-14!) USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -2.85! K(o=-2.9!,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.617 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 29:sc= -1.09 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.963 X(o=-0.96,f=-0.47) USER MOD Single : A 53 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.45) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.292 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.127 (180deg=-0.595) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0.0117 (180deg=0.0109) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0608) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= -6.63! (180deg=-8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 147:sc= 0 (180deg=-0.152) USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= -0.0885 (180deg=-1) USER MOD Single : A 91 GLN : amide:sc= -3.11! K(o=-3.1!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.502 -4.827 2.452 1.00 0.00 N ATOM 148 CA GLU A 13 -12.992 -3.948 3.495 1.00 0.00 C ATOM 149 C GLU A 13 -12.229 -2.632 3.464 1.00 0.00 C ATOM 150 O GLU A 13 -11.061 -2.578 3.842 1.00 0.00 O ATOM 151 CB GLU A 13 -12.835 -4.633 4.849 1.00 0.00 C ATOM 152 CG GLU A 13 -14.055 -4.332 5.715 1.00 0.00 C ATOM 153 CD GLU A 13 -14.209 -5.371 6.817 1.00 0.00 C ATOM 154 OE1 GLU A 13 -14.186 -6.573 6.471 1.00 0.00 O ATOM 155 OE2 GLU A 13 -14.347 -4.946 7.984 1.00 0.00 O ATOM 0 HA GLU A 13 -14.048 -3.734 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.728 -5.709 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.929 -4.282 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.957 -3.340 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.951 -4.318 5.095 1.00 0.00 H new ATOM 162 N PRO A 14 -12.896 -1.566 3.013 1.00 0.00 N ATOM 163 CA PRO A 14 -12.337 -0.235 2.916 1.00 0.00 C ATOM 164 C PRO A 14 -12.187 0.359 4.309 1.00 0.00 C ATOM 165 O PRO A 14 -12.810 -0.113 5.257 1.00 0.00 O ATOM 166 CB PRO A 14 -13.349 0.555 2.089 1.00 0.00 C ATOM 167 CG PRO A 14 -14.672 -0.127 2.433 1.00 0.00 C ATOM 168 CD PRO A 14 -14.270 -1.594 2.562 1.00 0.00 C ATOM 0 HA PRO A 14 -11.348 -0.222 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.356 1.611 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.131 0.500 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.098 0.259 3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.419 0.021 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.909 -2.117 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.362 -2.114 1.609 1.00 0.00 H new ATOM 176 N VAL A 15 -11.356 1.397 4.430 1.00 0.00 N ATOM 177 CA VAL A 15 -11.127 2.049 5.703 1.00 0.00 C ATOM 178 C VAL A 15 -10.794 3.517 5.478 1.00 0.00 C ATOM 179 O VAL A 15 -10.106 3.860 4.519 1.00 0.00 O ATOM 180 CB VAL A 15 -9.992 1.343 6.438 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.124 1.591 7.938 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.061 -0.156 6.161 1.00 0.00 C ATOM 0 H VAL A 15 -10.832 1.799 3.652 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.028 1.991 6.313 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.036 1.733 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.313 1.086 8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.073 2.662 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.080 1.202 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.250 -0.661 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.017 -0.547 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.965 -0.333 5.090 1.00 0.00 H new ATOM 192 N GLY A 16 -11.284 4.385 6.366 1.00 0.00 N ATOM 193 CA GLY A 16 -11.034 5.809 6.256 1.00 0.00 C ATOM 194 C GLY A 16 -10.668 6.387 7.616 1.00 0.00 C ATOM 195 O GLY A 16 -11.448 7.128 8.210 1.00 0.00 O ATOM 0 H GLY A 16 -11.856 4.118 7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.226 5.990 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.919 6.312 5.866 1.00 0.00 H new ATOM 199 N ASN A 17 -9.475 6.043 8.108 1.00 0.00 N ATOM 200 CA ASN A 17 -9.012 6.528 9.392 1.00 0.00 C ATOM 201 C ASN A 17 -7.636 5.954 9.699 1.00 0.00 C ATOM 202 O ASN A 17 -7.497 4.755 9.933 1.00 0.00 O ATOM 203 CB ASN A 17 -10.015 6.136 10.474 1.00 0.00 C ATOM 204 CG ASN A 17 -9.470 6.452 11.860 1.00 0.00 C ATOM 205 OD1 ASN A 17 -9.060 5.552 12.588 1.00 0.00 O ATOM 206 ND2 ASN A 17 -9.467 7.737 12.222 1.00 0.00 N ATOM 0 H ASN A 17 -8.817 5.428 7.628 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.930 7.615 9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.952 6.670 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.238 5.072 10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.113 8.008 13.140 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.819 8.448 11.581 1.00 0.00 H new ATOM 213 N GLU A 18 -6.616 6.815 9.697 1.00 0.00 N ATOM 214 CA GLU A 18 -5.259 6.389 9.975 1.00 0.00 C ATOM 215 C GLU A 18 -5.114 6.047 11.451 1.00 0.00 C ATOM 216 O GLU A 18 -5.743 5.112 11.941 1.00 0.00 O ATOM 217 CB GLU A 18 -4.288 7.499 9.580 1.00 0.00 C ATOM 218 CG GLU A 18 -4.726 8.811 10.225 1.00 0.00 C ATOM 219 CD GLU A 18 -4.114 10.002 9.501 1.00 0.00 C ATOM 220 OE1 GLU A 18 -4.388 10.131 8.288 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.384 10.761 10.173 1.00 0.00 O ATOM 0 H GLU A 18 -6.713 7.812 9.504 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.029 5.496 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.278 7.244 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.262 7.605 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.813 8.886 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.426 8.824 11.273 1.00 0.00 H new ATOM 228 N ASN A 19 -4.281 6.811 12.162 1.00 0.00 N ATOM 229 CA ASN A 19 -4.059 6.586 13.577 1.00 0.00 C ATOM 230 C ASN A 19 -3.431 5.216 13.792 1.00 0.00 C ATOM 231 O ASN A 19 -2.804 4.971 14.820 1.00 0.00 O ATOM 232 CB ASN A 19 -5.387 6.696 14.321 1.00 0.00 C ATOM 233 CG ASN A 19 -5.420 7.943 15.194 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.554 7.846 16.411 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.294 9.114 14.568 1.00 0.00 N ATOM 0 H ASN A 19 -3.752 7.591 11.772 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.375 7.340 13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.208 6.727 13.605 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.536 5.811 14.939 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.307 9.982 15.103 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.185 9.141 13.554 1.00 0.00 H new ATOM 242 N ASP A 20 -3.603 4.321 12.817 1.00 0.00 N ATOM 243 CA ASP A 20 -3.055 2.983 12.903 1.00 0.00 C ATOM 244 C ASP A 20 -1.655 2.960 12.306 1.00 0.00 C ATOM 245 O ASP A 20 -1.493 2.702 11.112 1.00 0.00 O ATOM 246 CB ASP A 20 -3.972 2.010 12.167 1.00 0.00 C ATOM 247 CG ASP A 20 -5.418 2.483 12.218 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.846 2.884 13.322 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.069 2.434 11.151 1.00 0.00 O ATOM 0 H ASP A 20 -4.121 4.508 11.959 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.989 2.680 13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.652 1.917 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.893 1.020 12.615 1.00 0.00 H new ATOM 254 N LEU A 21 -0.647 3.231 13.135 1.00 0.00 N ATOM 255 CA LEU A 21 0.746 3.255 12.690 1.00 0.00 C ATOM 256 C LEU A 21 1.054 2.121 11.708 1.00 0.00 C ATOM 257 O LEU A 21 1.809 2.305 10.755 1.00 0.00 O ATOM 258 CB LEU A 21 1.675 3.160 13.903 1.00 0.00 C ATOM 259 CG LEU A 21 1.771 1.757 14.537 1.00 0.00 C ATOM 260 CD1 LEU A 21 3.058 1.048 14.122 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.683 1.839 16.057 1.00 0.00 C ATOM 0 H LEU A 21 -0.771 3.438 14.126 1.00 0.00 H new ATOM 0 HA LEU A 21 0.912 4.197 12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.674 3.477 13.603 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.332 3.863 14.662 1.00 0.00 H new ATOM 0 HG LEU A 21 0.926 1.174 14.170 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.096 0.062 14.585 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.081 0.941 13.038 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.917 1.635 14.447 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.753 0.837 16.480 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.501 2.451 16.436 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.732 2.288 16.343 1.00 0.00 H new ATOM 273 N HIS A 22 0.460 0.950 11.961 1.00 0.00 N ATOM 274 CA HIS A 22 0.647 -0.228 11.112 1.00 0.00 C ATOM 275 C HIS A 22 0.248 0.088 9.659 1.00 0.00 C ATOM 276 O HIS A 22 1.076 -0.061 8.759 1.00 0.00 O ATOM 277 CB HIS A 22 -0.160 -1.412 11.660 1.00 0.00 C ATOM 278 CG HIS A 22 -0.077 -2.632 10.794 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.031 -3.913 11.304 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.021 -2.763 9.447 1.00 0.00 C ATOM 281 CE1 HIS A 22 0.051 -4.779 10.309 1.00 0.00 C ATOM 282 NE2 HIS A 22 0.056 -4.108 9.173 1.00 0.00 N ATOM 0 H HIS A 22 -0.160 0.794 12.756 1.00 0.00 H new ATOM 0 HA HIS A 22 1.702 -0.503 11.120 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.200 -1.658 12.659 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.204 -1.116 11.761 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.034 -1.961 8.724 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.105 -5.853 10.409 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.109 -4.521 8.242 1.00 0.00 H new ATOM 291 N LEU A 23 -0.999 0.503 9.437 1.00 0.00 N ATOM 292 CA LEU A 23 -1.496 0.806 8.095 1.00 0.00 C ATOM 293 C LEU A 23 -0.568 1.764 7.345 1.00 0.00 C ATOM 294 O LEU A 23 -0.104 1.469 6.246 1.00 0.00 O ATOM 295 CB LEU A 23 -2.901 1.407 8.190 1.00 0.00 C ATOM 296 CG LEU A 23 -3.973 0.458 8.768 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.766 -0.224 7.656 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.341 -0.587 9.680 1.00 0.00 C ATOM 0 H LEU A 23 -1.689 0.638 10.176 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.529 -0.127 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.857 2.303 8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.214 1.723 7.195 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.662 1.063 9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.513 -0.886 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.263 0.532 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.089 -0.806 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.117 -1.243 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.621 -1.177 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.833 -0.089 10.506 1.00 0.00 H new ATOM 310 N VAL A 24 -0.308 2.924 7.954 1.00 0.00 N ATOM 311 CA VAL A 24 0.550 3.928 7.356 1.00 0.00 C ATOM 312 C VAL A 24 1.901 3.314 7.019 1.00 0.00 C ATOM 313 O VAL A 24 2.415 3.507 5.919 1.00 0.00 O ATOM 314 CB VAL A 24 0.713 5.097 8.322 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.063 5.767 8.087 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.406 6.109 8.087 1.00 0.00 C ATOM 0 H VAL A 24 -0.686 3.184 8.865 1.00 0.00 H new ATOM 0 HA VAL A 24 0.100 4.296 6.434 1.00 0.00 H new ATOM 0 HB VAL A 24 0.664 4.731 9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.180 6.602 8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.862 5.044 8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.114 6.134 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.291 6.945 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.356 6.475 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.371 5.630 8.255 1.00 0.00 H new ATOM 326 N ASP A 25 2.476 2.572 7.968 1.00 0.00 N ATOM 327 CA ASP A 25 3.762 1.937 7.767 1.00 0.00 C ATOM 328 C ASP A 25 3.824 1.328 6.374 1.00 0.00 C ATOM 329 O ASP A 25 4.825 1.480 5.674 1.00 0.00 O ATOM 330 CB ASP A 25 3.972 0.866 8.836 1.00 0.00 C ATOM 331 CG ASP A 25 5.393 0.322 8.789 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.603 -0.650 8.033 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.242 0.890 9.510 1.00 0.00 O ATOM 0 H ASP A 25 2.062 2.401 8.884 1.00 0.00 H new ATOM 0 HA ASP A 25 4.556 2.679 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.772 1.286 9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.262 0.053 8.686 1.00 0.00 H new ATOM 338 N LEU A 26 2.755 0.639 5.975 1.00 0.00 N ATOM 339 CA LEU A 26 2.687 -0.007 4.665 1.00 0.00 C ATOM 340 C LEU A 26 2.850 0.997 3.520 1.00 0.00 C ATOM 341 O LEU A 26 3.720 0.848 2.665 1.00 0.00 O ATOM 342 CB LEU A 26 1.352 -0.745 4.524 1.00 0.00 C ATOM 343 CG LEU A 26 1.078 -1.803 5.613 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.779 -3.167 4.998 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.254 -1.907 6.577 1.00 0.00 C ATOM 0 H LEU A 26 1.919 0.514 6.545 1.00 0.00 H new ATOM 0 HA LEU A 26 3.513 -0.715 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.545 -0.012 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.324 -1.232 3.549 1.00 0.00 H new ATOM 0 HG LEU A 26 0.198 -1.480 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.590 -3.890 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.100 -3.093 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.633 -3.494 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.037 -2.659 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.151 -2.194 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.416 -0.943 7.058 1.00 0.00 H new ATOM 357 N ALA A 27 1.995 2.022 3.516 1.00 0.00 N ATOM 358 CA ALA A 27 2.033 3.044 2.489 1.00 0.00 C ATOM 359 C ALA A 27 3.361 3.785 2.547 1.00 0.00 C ATOM 360 O ALA A 27 4.061 3.887 1.543 1.00 0.00 O ATOM 361 CB ALA A 27 0.866 4.008 2.689 1.00 0.00 C ATOM 0 H ALA A 27 1.269 2.159 4.219 1.00 0.00 H new ATOM 0 HA ALA A 27 1.941 2.581 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.893 4.777 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.074 3.460 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.944 4.476 3.670 1.00 0.00 H new ATOM 367 N ARG A 28 3.706 4.302 3.728 1.00 0.00 N ATOM 368 CA ARG A 28 4.945 5.032 3.911 1.00 0.00 C ATOM 369 C ARG A 28 6.126 4.137 3.559 1.00 0.00 C ATOM 370 O ARG A 28 7.176 4.625 3.148 1.00 0.00 O ATOM 371 CB ARG A 28 5.043 5.511 5.356 1.00 0.00 C ATOM 372 CG ARG A 28 4.410 6.894 5.477 1.00 0.00 C ATOM 373 CD ARG A 28 5.221 7.742 6.454 1.00 0.00 C ATOM 374 NE ARG A 28 4.389 8.778 7.067 1.00 0.00 N ATOM 375 CZ ARG A 28 4.625 10.087 6.906 1.00 0.00 C ATOM 376 NH1 ARG A 28 5.659 10.494 6.158 1.00 0.00 N ATOM 377 NH2 ARG A 28 3.826 10.989 7.495 1.00 0.00 N ATOM 0 H ARG A 28 3.136 4.224 4.571 1.00 0.00 H new ATOM 0 HA ARG A 28 4.962 5.900 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.537 4.809 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.087 5.548 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.377 7.377 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.380 6.805 5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.644 7.104 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.058 8.205 5.931 1.00 0.00 H new ATOM 0 HE ARG A 28 3.596 8.492 7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.267 9.807 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.839 11.491 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.039 10.678 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.005 11.986 7.373 1.00 0.00 H new ATOM 391 N PHE A 29 5.951 2.824 3.721 1.00 0.00 N ATOM 392 CA PHE A 29 7.001 1.872 3.419 1.00 0.00 C ATOM 393 C PHE A 29 7.243 1.828 1.917 1.00 0.00 C ATOM 394 O PHE A 29 8.385 1.897 1.467 1.00 0.00 O ATOM 395 CB PHE A 29 6.603 0.495 3.943 1.00 0.00 C ATOM 396 CG PHE A 29 7.304 -0.643 3.240 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.687 -0.595 3.038 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.568 -1.745 2.788 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.337 -1.649 2.384 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.218 -2.800 2.135 1.00 0.00 C ATOM 401 CZ PHE A 29 8.601 -2.751 1.932 1.00 0.00 C ATOM 0 H PHE A 29 5.086 2.403 4.061 1.00 0.00 H new ATOM 0 HA PHE A 29 7.926 2.179 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.823 0.443 5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.526 0.371 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.254 0.255 3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.500 -1.782 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.405 -1.612 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.651 -3.651 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.101 -3.564 1.426 1.00 0.00 H new ATOM 411 N ALA A 30 6.163 1.715 1.141 1.00 0.00 N ATOM 412 CA ALA A 30 6.262 1.662 -0.304 1.00 0.00 C ATOM 413 C ALA A 30 7.113 2.820 -0.805 1.00 0.00 C ATOM 414 O ALA A 30 8.215 2.612 -1.309 1.00 0.00 O ATOM 415 CB ALA A 30 4.864 1.716 -0.911 1.00 0.00 C ATOM 0 H ALA A 30 5.210 1.659 1.499 1.00 0.00 H new ATOM 0 HA ALA A 30 6.739 0.729 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.937 1.676 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.280 0.867 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.374 2.643 -0.614 1.00 0.00 H new ATOM 421 N VAL A 31 6.599 4.045 -0.665 1.00 0.00 N ATOM 422 CA VAL A 31 7.311 5.228 -1.102 1.00 0.00 C ATOM 423 C VAL A 31 8.772 5.133 -0.686 1.00 0.00 C ATOM 424 O VAL A 31 9.662 5.530 -1.434 1.00 0.00 O ATOM 425 CB VAL A 31 6.655 6.467 -0.501 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.136 7.709 -1.244 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.139 6.353 -0.628 1.00 0.00 C ATOM 0 H VAL A 31 5.687 4.234 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 31 7.268 5.303 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 31 6.926 6.546 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.667 8.594 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.219 7.791 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.866 7.630 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.670 7.238 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.867 6.273 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.795 5.466 -0.096 1.00 0.00 H new ATOM 437 N THR A 32 9.018 4.605 0.516 1.00 0.00 N ATOM 438 CA THR A 32 10.368 4.462 1.022 1.00 0.00 C ATOM 439 C THR A 32 11.132 3.447 0.185 1.00 0.00 C ATOM 440 O THR A 32 12.041 3.808 -0.560 1.00 0.00 O ATOM 441 CB THR A 32 10.319 4.029 2.484 1.00 0.00 C ATOM 442 OG1 THR A 32 10.013 5.141 3.294 1.00 0.00 O ATOM 443 CG2 THR A 32 11.675 3.459 2.893 1.00 0.00 C ATOM 0 H THR A 32 8.293 4.272 1.151 1.00 0.00 H new ATOM 0 HA THR A 32 10.886 5.419 0.956 1.00 0.00 H new ATOM 0 HB THR A 32 9.551 3.265 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.042 5.203 3.411 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.640 3.150 3.938 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.911 2.598 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.443 4.222 2.766 1.00 0.00 H new ATOM 451 N GLU A 33 10.758 2.171 0.306 1.00 0.00 N ATOM 452 CA GLU A 33 11.406 1.112 -0.440 1.00 0.00 C ATOM 453 C GLU A 33 11.673 1.569 -1.866 1.00 0.00 C ATOM 454 O GLU A 33 12.753 1.320 -2.403 1.00 0.00 O ATOM 455 CB GLU A 33 10.523 -0.132 -0.427 1.00 0.00 C ATOM 456 CG GLU A 33 11.155 -1.214 -1.297 1.00 0.00 C ATOM 457 CD GLU A 33 11.874 -2.248 -0.442 1.00 0.00 C ATOM 458 OE1 GLU A 33 13.038 -1.972 -0.078 1.00 0.00 O ATOM 459 OE2 GLU A 33 11.247 -3.293 -0.168 1.00 0.00 O ATOM 0 H GLU A 33 10.006 1.855 0.918 1.00 0.00 H new ATOM 0 HA GLU A 33 12.361 0.869 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.403 -0.495 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.527 0.112 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.385 -1.702 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.859 -0.760 -1.995 1.00 0.00 H new ATOM 466 N HIS A 34 10.687 2.240 -2.473 1.00 0.00 N ATOM 467 CA HIS A 34 10.807 2.752 -3.840 1.00 0.00 C ATOM 468 C HIS A 34 11.899 3.835 -3.914 1.00 0.00 C ATOM 469 O HIS A 34 12.813 3.719 -4.727 1.00 0.00 O ATOM 470 CB HIS A 34 9.458 3.295 -4.325 1.00 0.00 C ATOM 471 CG HIS A 34 9.445 3.622 -5.787 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.313 3.525 -6.569 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.436 4.036 -6.614 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.607 3.863 -7.812 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.887 4.179 -7.865 1.00 0.00 N ATOM 0 H HIS A 34 9.789 2.442 -2.032 1.00 0.00 H new ATOM 0 HA HIS A 34 11.099 1.933 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.681 2.559 -4.117 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.209 4.191 -3.757 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.392 3.237 -6.239 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.465 4.219 -6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.917 3.878 -8.643 1.00 0.00 H new ATOM 484 N ASN A 35 11.793 4.877 -3.085 1.00 0.00 N ATOM 485 CA ASN A 35 12.762 5.955 -3.088 1.00 0.00 C ATOM 486 C ASN A 35 14.109 5.443 -2.598 1.00 0.00 C ATOM 487 O ASN A 35 15.101 6.168 -2.629 1.00 0.00 O ATOM 488 CB ASN A 35 12.259 7.089 -2.200 1.00 0.00 C ATOM 489 CG ASN A 35 11.595 8.176 -3.032 1.00 0.00 C ATOM 490 OD1 ASN A 35 12.234 9.163 -3.392 1.00 0.00 O ATOM 491 ND2 ASN A 35 10.308 7.995 -3.339 1.00 0.00 N ATOM 0 H ASN A 35 11.041 4.989 -2.405 1.00 0.00 H new ATOM 0 HA ASN A 35 12.889 6.332 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.549 6.698 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.091 7.513 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.813 8.692 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.820 7.159 -3.017 1.00 0.00 H new ATOM 498 N LYS A 36 14.141 4.188 -2.144 1.00 0.00 N ATOM 499 CA LYS A 36 15.363 3.586 -1.651 1.00 0.00 C ATOM 500 C LYS A 36 16.103 2.906 -2.794 1.00 0.00 C ATOM 501 O LYS A 36 17.281 3.176 -3.024 1.00 0.00 O ATOM 502 CB LYS A 36 15.028 2.582 -0.552 1.00 0.00 C ATOM 503 CG LYS A 36 14.727 3.329 0.745 1.00 0.00 C ATOM 504 CD LYS A 36 16.035 3.789 1.383 1.00 0.00 C ATOM 505 CE LYS A 36 16.107 3.279 2.819 1.00 0.00 C ATOM 506 NZ LYS A 36 17.449 2.764 3.130 1.00 0.00 N ATOM 0 H LYS A 36 13.327 3.574 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 36 16.010 4.359 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.168 1.979 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.862 1.896 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.087 4.188 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.183 2.681 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.883 3.415 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.096 4.877 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.855 4.085 3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.368 2.491 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.471 2.423 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.678 1.980 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.149 3.524 3.011 1.00 0.00 H new ATOM 520 N LYS A 37 15.409 2.020 -3.512 1.00 0.00 N ATOM 521 CA LYS A 37 16.002 1.307 -4.625 1.00 0.00 C ATOM 522 C LYS A 37 15.797 2.094 -5.912 1.00 0.00 C ATOM 523 O LYS A 37 16.232 1.668 -6.980 1.00 0.00 O ATOM 524 CB LYS A 37 15.375 -0.080 -4.734 1.00 0.00 C ATOM 525 CG LYS A 37 13.871 0.060 -4.951 1.00 0.00 C ATOM 526 CD LYS A 37 13.149 -1.106 -4.281 1.00 0.00 C ATOM 527 CE LYS A 37 11.647 -0.978 -4.516 1.00 0.00 C ATOM 528 NZ LYS A 37 11.168 -2.012 -5.446 1.00 0.00 N ATOM 0 H LYS A 37 14.433 1.785 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 37 17.073 1.195 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.823 -0.630 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.571 -0.652 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.520 1.005 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.647 0.076 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.511 -2.052 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.361 -1.113 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.118 -1.065 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.421 0.010 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.144 -1.903 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.657 -1.912 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.364 -2.953 -5.049 1.00 0.00 H new ATOM 542 N ALA A 38 15.131 3.246 -5.808 1.00 0.00 N ATOM 543 CA ALA A 38 14.869 4.085 -6.960 1.00 0.00 C ATOM 544 C ALA A 38 15.102 5.545 -6.597 1.00 0.00 C ATOM 545 O ALA A 38 15.793 6.263 -7.316 1.00 0.00 O ATOM 546 CB ALA A 38 13.436 3.866 -7.432 1.00 0.00 C ATOM 0 H ALA A 38 14.765 3.613 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 38 15.548 3.820 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.238 4.497 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.299 2.820 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.745 4.125 -6.630 1.00 0.00 H new ATOM 552 N ASN A 39 14.521 5.983 -5.478 1.00 0.00 N ATOM 553 CA ASN A 39 14.667 7.353 -5.028 1.00 0.00 C ATOM 554 C ASN A 39 13.933 8.291 -5.974 1.00 0.00 C ATOM 555 O ASN A 39 14.363 9.421 -6.193 1.00 0.00 O ATOM 556 CB ASN A 39 16.150 7.707 -4.959 1.00 0.00 C ATOM 557 CG ASN A 39 16.499 8.322 -3.611 1.00 0.00 C ATOM 558 OD1 ASN A 39 15.718 9.091 -3.056 1.00 0.00 O ATOM 559 ND2 ASN A 39 17.678 7.980 -3.084 1.00 0.00 N ATOM 0 H ASN A 39 13.945 5.400 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 39 14.232 7.461 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 39 16.750 6.811 -5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 39 16.399 8.406 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 39 17.963 8.362 -2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.293 7.337 -3.583 1.00 0.00 H new ATOM 566 N SER A 40 12.817 7.820 -6.535 1.00 0.00 N ATOM 567 CA SER A 40 12.027 8.617 -7.452 1.00 0.00 C ATOM 568 C SER A 40 11.531 9.872 -6.749 1.00 0.00 C ATOM 569 O SER A 40 12.041 10.235 -5.689 1.00 0.00 O ATOM 570 CB SER A 40 10.856 7.786 -7.967 1.00 0.00 C ATOM 571 OG SER A 40 11.244 7.100 -9.136 1.00 0.00 O ATOM 0 H SER A 40 12.446 6.885 -6.364 1.00 0.00 H new ATOM 0 HA SER A 40 12.641 8.919 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.537 7.075 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.003 8.431 -8.177 1.00 0.00 H new ATOM 0 HG SER A 40 10.492 6.565 -9.466 1.00 0.00 H new ATOM 577 N LEU A 41 10.536 10.533 -7.341 1.00 0.00 N ATOM 578 CA LEU A 41 9.970 11.760 -6.780 1.00 0.00 C ATOM 579 C LEU A 41 8.947 11.468 -5.680 1.00 0.00 C ATOM 580 O LEU A 41 8.548 12.363 -4.933 1.00 0.00 O ATOM 581 CB LEU A 41 9.318 12.582 -7.896 1.00 0.00 C ATOM 582 CG LEU A 41 8.227 11.839 -8.694 1.00 0.00 C ATOM 583 CD1 LEU A 41 8.827 10.730 -9.555 1.00 0.00 C ATOM 584 CD2 LEU A 41 7.166 11.264 -7.763 1.00 0.00 C ATOM 0 H LEU A 41 10.103 10.236 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 41 10.784 12.327 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.881 13.480 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.094 12.910 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 41 7.754 12.566 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.032 10.226 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.538 11.161 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.339 10.010 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.409 10.745 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.631 10.563 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.698 12.072 -7.201 1.00 0.00 H new ATOM 596 N LEU A 42 8.524 10.207 -5.596 1.00 0.00 N ATOM 597 CA LEU A 42 7.535 9.780 -4.607 1.00 0.00 C ATOM 598 C LEU A 42 7.878 10.277 -3.201 1.00 0.00 C ATOM 599 O LEU A 42 8.571 9.606 -2.440 1.00 0.00 O ATOM 600 CB LEU A 42 7.433 8.252 -4.609 1.00 0.00 C ATOM 601 CG LEU A 42 7.504 7.600 -6.006 1.00 0.00 C ATOM 602 CD1 LEU A 42 8.345 6.327 -5.980 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.109 7.297 -6.538 1.00 0.00 C ATOM 0 H LEU A 42 8.854 9.459 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 42 6.576 10.218 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.237 7.848 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.494 7.964 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 42 7.984 8.314 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.376 5.891 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.358 6.567 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.902 5.613 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.187 6.838 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.601 6.613 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.539 8.223 -6.613 1.00 0.00 H new ATOM 615 N GLU A 43 7.384 11.473 -2.866 1.00 0.00 N ATOM 616 CA GLU A 43 7.636 12.064 -1.568 1.00 0.00 C ATOM 617 C GLU A 43 6.388 11.966 -0.702 1.00 0.00 C ATOM 618 O GLU A 43 5.679 12.951 -0.513 1.00 0.00 O ATOM 619 CB GLU A 43 8.055 13.521 -1.748 1.00 0.00 C ATOM 620 CG GLU A 43 8.994 13.923 -0.613 1.00 0.00 C ATOM 621 CD GLU A 43 9.996 14.968 -1.083 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.953 14.564 -1.780 1.00 0.00 O ATOM 623 OE2 GLU A 43 9.787 16.150 -0.737 1.00 0.00 O ATOM 0 H GLU A 43 6.807 12.044 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 43 8.441 11.525 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.552 13.652 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.176 14.166 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.415 14.318 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.524 13.044 -0.245 1.00 0.00 H new ATOM 630 N PHE A 44 6.121 10.769 -0.174 1.00 0.00 N ATOM 631 CA PHE A 44 4.964 10.547 0.669 1.00 0.00 C ATOM 632 C PHE A 44 4.764 11.739 1.595 1.00 0.00 C ATOM 633 O PHE A 44 5.689 12.150 2.292 1.00 0.00 O ATOM 634 CB PHE A 44 5.159 9.265 1.473 1.00 0.00 C ATOM 635 CG PHE A 44 4.083 9.031 2.506 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.956 9.904 3.594 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.215 7.941 2.378 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.960 9.686 4.553 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.219 7.723 3.338 1.00 0.00 C ATOM 640 CZ PHE A 44 2.091 8.595 4.425 1.00 0.00 C ATOM 0 H PHE A 44 6.698 9.941 -0.322 1.00 0.00 H new ATOM 0 HA PHE A 44 4.074 10.440 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.185 8.417 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.128 9.302 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.626 10.745 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.313 7.268 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.862 10.359 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.549 6.881 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.322 8.427 5.165 1.00 0.00 H new ATOM 650 N GLU A 45 3.549 12.294 1.600 1.00 0.00 N ATOM 651 CA GLU A 45 3.236 13.433 2.441 1.00 0.00 C ATOM 652 C GLU A 45 2.280 13.013 3.549 1.00 0.00 C ATOM 653 O GLU A 45 2.543 13.254 4.725 1.00 0.00 O ATOM 654 CB GLU A 45 2.622 14.539 1.587 1.00 0.00 C ATOM 655 CG GLU A 45 3.530 14.825 0.395 1.00 0.00 C ATOM 656 CD GLU A 45 4.784 15.566 0.833 1.00 0.00 C ATOM 657 OE1 GLU A 45 4.682 16.318 1.827 1.00 0.00 O ATOM 658 OE2 GLU A 45 5.824 15.366 0.167 1.00 0.00 O ATOM 0 H GLU A 45 2.771 11.966 1.027 1.00 0.00 H new ATOM 0 HA GLU A 45 4.149 13.810 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.633 14.239 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.491 15.442 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.807 13.889 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.991 15.419 -0.343 1.00 0.00 H new ATOM 665 N LYS A 46 1.167 12.383 3.169 1.00 0.00 N ATOM 666 CA LYS A 46 0.180 11.932 4.130 1.00 0.00 C ATOM 667 C LYS A 46 -0.631 10.786 3.541 1.00 0.00 C ATOM 668 O LYS A 46 -0.470 10.449 2.368 1.00 0.00 O ATOM 669 CB LYS A 46 -0.729 13.098 4.509 1.00 0.00 C ATOM 670 CG LYS A 46 -1.764 13.314 3.409 1.00 0.00 C ATOM 671 CD LYS A 46 -2.790 14.345 3.870 1.00 0.00 C ATOM 672 CE LYS A 46 -3.891 14.473 2.819 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.140 14.962 3.422 1.00 0.00 N ATOM 0 H LYS A 46 0.933 12.177 2.198 1.00 0.00 H new ATOM 0 HA LYS A 46 0.681 11.571 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.227 12.892 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.138 14.003 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.275 13.655 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.260 12.373 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.218 14.045 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.307 15.310 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.571 15.156 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.064 13.505 2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.872 15.040 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.455 14.296 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.977 15.896 3.849 1.00 0.00 H new ATOM 687 N LEU A 47 -1.501 10.191 4.357 1.00 0.00 N ATOM 688 CA LEU A 47 -2.335 9.070 3.926 1.00 0.00 C ATOM 689 C LEU A 47 -3.823 9.429 3.928 1.00 0.00 C ATOM 690 O LEU A 47 -4.314 10.094 4.838 1.00 0.00 O ATOM 691 CB LEU A 47 -2.088 7.865 4.838 1.00 0.00 C ATOM 692 CG LEU A 47 -3.296 6.919 5.003 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.497 6.053 3.762 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.134 6.039 6.237 1.00 0.00 C ATOM 0 H LEU A 47 -1.647 10.470 5.327 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.059 8.824 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.249 7.294 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.791 8.227 5.822 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.182 7.541 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.356 5.398 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.674 6.692 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.606 5.449 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.998 5.381 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.230 5.438 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.058 6.667 7.124 1.00 0.00 H new ATOM 706 N VAL A 48 -4.534 8.982 2.890 1.00 0.00 N ATOM 707 CA VAL A 48 -5.952 9.251 2.761 1.00 0.00 C ATOM 708 C VAL A 48 -6.751 8.118 3.387 1.00 0.00 C ATOM 709 O VAL A 48 -7.435 8.315 4.389 1.00 0.00 O ATOM 710 CB VAL A 48 -6.306 9.414 1.286 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.609 10.197 1.158 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.186 10.169 0.575 1.00 0.00 C ATOM 0 H VAL A 48 -4.140 8.430 2.128 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.200 10.175 3.284 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.428 8.431 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.862 10.313 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.409 9.658 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.489 11.180 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.438 10.286 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.064 11.152 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.255 9.609 0.665 1.00 0.00 H new ATOM 722 N SER A 49 -6.665 6.926 2.792 1.00 0.00 N ATOM 723 CA SER A 49 -7.378 5.769 3.294 1.00 0.00 C ATOM 724 C SER A 49 -6.609 4.500 2.953 1.00 0.00 C ATOM 725 O SER A 49 -5.531 4.563 2.368 1.00 0.00 O ATOM 726 CB SER A 49 -8.777 5.731 2.687 1.00 0.00 C ATOM 727 OG SER A 49 -9.663 6.464 3.503 1.00 0.00 O ATOM 0 H SER A 49 -6.104 6.745 1.959 1.00 0.00 H new ATOM 0 HA SER A 49 -7.468 5.836 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.760 6.151 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.118 4.700 2.596 1.00 0.00 H new ATOM 0 HG SER A 49 -9.171 7.176 3.963 1.00 0.00 H new ATOM 733 N VAL A 50 -7.168 3.344 3.323 1.00 0.00 N ATOM 734 CA VAL A 50 -6.535 2.069 3.055 1.00 0.00 C ATOM 735 C VAL A 50 -7.574 0.958 3.113 1.00 0.00 C ATOM 736 O VAL A 50 -8.556 1.060 3.845 1.00 0.00 O ATOM 737 CB VAL A 50 -5.427 1.828 4.076 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.991 1.985 5.486 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.876 0.415 3.903 1.00 0.00 C ATOM 0 H VAL A 50 -8.061 3.275 3.810 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.095 2.077 2.058 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.627 2.552 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.200 1.813 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.386 2.993 5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.791 1.261 5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.084 0.241 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.676 -0.309 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.474 0.302 2.896 1.00 0.00 H new ATOM 749 N LYS A 51 -7.354 -0.107 2.339 1.00 0.00 N ATOM 750 CA LYS A 51 -8.271 -1.230 2.308 1.00 0.00 C ATOM 751 C LYS A 51 -7.545 -2.503 2.721 1.00 0.00 C ATOM 752 O LYS A 51 -6.341 -2.483 2.966 1.00 0.00 O ATOM 753 CB LYS A 51 -8.853 -1.371 0.904 1.00 0.00 C ATOM 754 CG LYS A 51 -9.738 -0.167 0.598 1.00 0.00 C ATOM 755 CD LYS A 51 -9.469 0.315 -0.825 1.00 0.00 C ATOM 756 CE LYS A 51 -10.670 1.109 -1.330 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.363 2.545 -1.399 1.00 0.00 N ATOM 0 H LYS A 51 -6.544 -0.208 1.727 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.086 -1.057 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.049 -1.441 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.433 -2.291 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.788 -0.437 0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.538 0.635 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.574 0.937 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.282 -0.536 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.960 0.748 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.521 0.947 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.196 3.062 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.109 2.892 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.566 2.699 -2.049 1.00 0.00 H new ATOM 771 N GLN A 52 -8.283 -3.613 2.796 1.00 0.00 N ATOM 772 CA GLN A 52 -7.709 -4.886 3.180 1.00 0.00 C ATOM 773 C GLN A 52 -8.418 -6.015 2.443 1.00 0.00 C ATOM 774 O GLN A 52 -9.645 -6.055 2.396 1.00 0.00 O ATOM 775 CB GLN A 52 -7.834 -5.065 4.690 1.00 0.00 C ATOM 776 CG GLN A 52 -9.295 -4.918 5.101 1.00 0.00 C ATOM 777 CD GLN A 52 -9.470 -5.190 6.589 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.236 -4.503 7.262 1.00 0.00 O ATOM 779 NE2 GLN A 52 -8.757 -6.195 7.102 1.00 0.00 N ATOM 0 H GLN A 52 -9.282 -3.646 2.593 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.653 -4.909 2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.460 -6.046 4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.224 -4.324 5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.643 -3.912 4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.910 -5.610 4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.134 -6.737 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.835 -6.421 8.094 1.00 0.00 H new ATOM 788 N GLN A 53 -7.639 -6.935 1.867 1.00 0.00 N ATOM 789 CA GLN A 53 -8.194 -8.057 1.137 1.00 0.00 C ATOM 790 C GLN A 53 -7.579 -9.355 1.639 1.00 0.00 C ATOM 791 O GLN A 53 -6.390 -9.403 1.949 1.00 0.00 O ATOM 792 CB GLN A 53 -7.927 -7.872 -0.354 1.00 0.00 C ATOM 793 CG GLN A 53 -8.395 -9.112 -1.113 1.00 0.00 C ATOM 794 CD GLN A 53 -9.895 -9.060 -1.362 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.418 -8.042 -1.812 1.00 0.00 O ATOM 796 NE2 GLN A 53 -10.589 -10.163 -1.067 1.00 0.00 N ATOM 0 H GLN A 53 -6.620 -6.916 1.898 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.271 -8.104 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.450 -6.989 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.863 -7.707 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.866 -9.183 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.147 -10.008 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.110 -10.983 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.598 -10.185 -1.213 1.00 0.00 H new ATOM 805 N VAL A 54 -8.392 -10.410 1.718 1.00 0.00 N ATOM 806 CA VAL A 54 -7.927 -11.703 2.181 1.00 0.00 C ATOM 807 C VAL A 54 -7.742 -12.638 0.995 1.00 0.00 C ATOM 808 O VAL A 54 -8.667 -12.836 0.209 1.00 0.00 O ATOM 809 CB VAL A 54 -8.932 -12.279 3.173 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.347 -12.087 2.635 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.659 -13.767 3.367 1.00 0.00 C ATOM 0 H VAL A 54 -9.380 -10.386 1.464 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.966 -11.590 2.683 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.835 -11.764 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.065 -12.499 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.543 -11.024 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.446 -12.601 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.377 -14.179 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.756 -14.282 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.649 -13.904 3.753 1.00 0.00 H new ATOM 821 N VAL A 55 -6.545 -13.213 0.866 1.00 0.00 N ATOM 822 CA VAL A 55 -6.245 -14.123 -0.221 1.00 0.00 C ATOM 823 C VAL A 55 -5.129 -15.071 0.193 1.00 0.00 C ATOM 824 O VAL A 55 -5.275 -15.822 1.155 1.00 0.00 O ATOM 825 CB VAL A 55 -5.845 -13.323 -1.457 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.940 -12.312 -1.787 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.538 -12.586 -1.184 1.00 0.00 C ATOM 0 H VAL A 55 -5.769 -13.058 1.509 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.128 -14.716 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.711 -14.001 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.654 -11.741 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.874 -12.838 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.075 -11.634 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.252 -12.014 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.672 -11.909 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.755 -13.308 -0.950 1.00 0.00 H new ATOM 837 N ALA A 56 -4.012 -15.034 -0.536 1.00 0.00 N ATOM 838 CA ALA A 56 -2.879 -15.888 -0.242 1.00 0.00 C ATOM 839 C ALA A 56 -2.084 -15.309 0.920 1.00 0.00 C ATOM 840 O ALA A 56 -0.948 -15.709 1.161 1.00 0.00 O ATOM 841 CB ALA A 56 -2.003 -16.016 -1.485 1.00 0.00 C ATOM 0 H ALA A 56 -3.876 -14.416 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.231 -16.880 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.150 -16.658 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.585 -16.452 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.647 -15.030 -1.782 1.00 0.00 H new ATOM 847 N GLY A 57 -2.686 -14.362 1.643 1.00 0.00 N ATOM 848 CA GLY A 57 -2.031 -13.735 2.773 1.00 0.00 C ATOM 849 C GLY A 57 -2.861 -12.564 3.282 1.00 0.00 C ATOM 850 O GLY A 57 -4.062 -12.697 3.502 1.00 0.00 O ATOM 0 H GLY A 57 -3.628 -14.018 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.891 -14.464 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.040 -13.387 2.481 1.00 0.00 H new ATOM 854 N THR A 58 -2.213 -11.411 3.468 1.00 0.00 N ATOM 855 CA THR A 58 -2.894 -10.226 3.949 1.00 0.00 C ATOM 856 C THR A 58 -2.585 -9.046 3.038 1.00 0.00 C ATOM 857 O THR A 58 -1.479 -8.505 3.072 1.00 0.00 O ATOM 858 CB THR A 58 -2.455 -9.933 5.381 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.716 -11.058 6.190 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.230 -8.731 5.915 1.00 0.00 C ATOM 0 H THR A 58 -1.217 -11.282 3.290 1.00 0.00 H new ATOM 0 HA THR A 58 -3.971 -10.393 3.940 1.00 0.00 H new ATOM 0 HB THR A 58 -1.388 -9.713 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.433 -10.872 7.110 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.917 -8.521 6.938 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.030 -7.862 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.298 -8.951 5.900 1.00 0.00 H new ATOM 868 N LEU A 59 -3.565 -8.648 2.225 1.00 0.00 N ATOM 869 CA LEU A 59 -3.401 -7.535 1.291 1.00 0.00 C ATOM 870 C LEU A 59 -4.017 -6.241 1.828 1.00 0.00 C ATOM 871 O LEU A 59 -5.072 -6.254 2.458 1.00 0.00 O ATOM 872 CB LEU A 59 -4.036 -7.897 -0.054 1.00 0.00 C ATOM 873 CG LEU A 59 -3.379 -7.228 -1.281 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.681 -5.733 -1.326 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.873 -7.462 -1.287 1.00 0.00 C ATOM 0 H LEU A 59 -4.487 -9.084 2.196 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.333 -7.360 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.993 -8.979 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.090 -7.621 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.806 -7.688 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.204 -5.292 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.759 -5.581 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.296 -5.257 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.434 -6.981 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.436 -7.040 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.671 -8.533 -1.322 1.00 0.00 H new ATOM 887 N TYR A 60 -3.339 -5.120 1.572 1.00 0.00 N ATOM 888 CA TYR A 60 -3.805 -3.826 2.027 1.00 0.00 C ATOM 889 C TYR A 60 -3.603 -2.789 0.931 1.00 0.00 C ATOM 890 O TYR A 60 -2.483 -2.578 0.470 1.00 0.00 O ATOM 891 CB TYR A 60 -3.048 -3.431 3.292 1.00 0.00 C ATOM 892 CG TYR A 60 -3.373 -4.297 4.485 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.707 -4.559 4.816 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.340 -4.838 5.259 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.008 -5.362 5.923 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.640 -5.641 6.365 1.00 0.00 C ATOM 897 CZ TYR A 60 -3.975 -5.903 6.698 1.00 0.00 C ATOM 898 OH TYR A 60 -4.268 -6.686 7.775 1.00 0.00 O ATOM 0 H TYR A 60 -2.463 -5.092 1.050 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.869 -3.878 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.977 -3.484 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.277 -2.393 3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.504 -4.142 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.311 -4.636 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.038 -5.564 6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.842 -6.059 6.962 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.113 -7.156 7.617 1.00 0.00 H new ATOM 908 N TYR A 61 -4.693 -2.142 0.513 1.00 0.00 N ATOM 909 CA TYR A 61 -4.629 -1.134 -0.527 1.00 0.00 C ATOM 910 C TYR A 61 -4.638 0.254 0.099 1.00 0.00 C ATOM 911 O TYR A 61 -5.697 0.789 0.415 1.00 0.00 O ATOM 912 CB TYR A 61 -5.813 -1.307 -1.474 1.00 0.00 C ATOM 913 CG TYR A 61 -6.123 -2.750 -1.795 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.611 -3.600 -0.796 1.00 0.00 C ATOM 915 CD2 TYR A 61 -5.920 -3.237 -3.092 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.899 -4.937 -1.093 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.207 -4.575 -3.389 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.697 -5.425 -2.390 1.00 0.00 C ATOM 919 OH TYR A 61 -6.978 -6.728 -2.680 1.00 0.00 O ATOM 0 H TYR A 61 -5.629 -2.304 0.885 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.706 -1.249 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.694 -0.845 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.607 -0.773 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.765 -3.224 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.542 -2.581 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.277 -5.592 -0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.050 -4.952 -4.389 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.783 -6.902 -3.624 1.00 0.00 H new ATOM 929 N PHE A 62 -3.449 0.836 0.276 1.00 0.00 N ATOM 930 CA PHE A 62 -3.326 2.156 0.861 1.00 0.00 C ATOM 931 C PHE A 62 -3.393 3.214 -0.232 1.00 0.00 C ATOM 932 O PHE A 62 -2.724 3.097 -1.256 1.00 0.00 O ATOM 933 CB PHE A 62 -2.010 2.251 1.626 1.00 0.00 C ATOM 934 CG PHE A 62 -1.836 1.169 2.665 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.262 -0.057 2.310 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.249 1.394 3.984 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.100 -1.059 3.274 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.086 0.392 4.948 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.512 -0.835 4.593 1.00 0.00 C ATOM 0 H PHE A 62 -2.561 0.405 0.019 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.148 2.328 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.183 2.200 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.952 3.224 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.944 -0.230 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.693 2.340 4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.657 -2.005 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.403 0.565 5.966 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.387 -1.608 5.337 1.00 0.00 H new ATOM 949 N THR A 63 -4.205 4.251 -0.011 1.00 0.00 N ATOM 950 CA THR A 63 -4.353 5.321 -0.977 1.00 0.00 C ATOM 951 C THR A 63 -3.843 6.627 -0.385 1.00 0.00 C ATOM 952 O THR A 63 -4.624 7.434 0.116 1.00 0.00 O ATOM 953 CB THR A 63 -5.821 5.445 -1.376 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.306 4.185 -1.781 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.952 6.435 -2.530 1.00 0.00 C ATOM 0 H THR A 63 -4.767 4.364 0.833 1.00 0.00 H new ATOM 0 HA THR A 63 -3.765 5.096 -1.867 1.00 0.00 H new ATOM 0 HB THR A 63 -6.400 5.801 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.249 4.264 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.000 6.524 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.577 7.410 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.373 6.079 -3.382 1.00 0.00 H new ATOM 963 N ILE A 64 -2.525 6.835 -0.445 1.00 0.00 N ATOM 964 CA ILE A 64 -1.914 8.038 0.081 1.00 0.00 C ATOM 965 C ILE A 64 -1.596 8.995 -1.060 1.00 0.00 C ATOM 966 O ILE A 64 -1.841 8.680 -2.223 1.00 0.00 O ATOM 967 CB ILE A 64 -0.648 7.671 0.849 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.380 7.085 -0.112 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.986 6.642 1.923 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.136 5.586 -0.266 1.00 0.00 C ATOM 0 H ILE A 64 -1.865 6.176 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.605 8.534 0.763 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.236 8.565 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.309 7.577 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.388 7.264 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.082 6.379 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.720 7.062 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.398 5.749 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.871 5.166 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.229 5.101 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.866 5.419 -0.661 1.00 0.00 H new ATOM 982 N GLU A 65 -1.048 10.165 -0.726 1.00 0.00 N ATOM 983 CA GLU A 65 -0.699 11.156 -1.724 1.00 0.00 C ATOM 984 C GLU A 65 0.716 11.662 -1.483 1.00 0.00 C ATOM 985 O GLU A 65 1.061 12.044 -0.366 1.00 0.00 O ATOM 986 CB GLU A 65 -1.701 12.306 -1.669 1.00 0.00 C ATOM 987 CG GLU A 65 -1.033 13.587 -2.158 1.00 0.00 C ATOM 988 CD GLU A 65 -2.018 14.455 -2.928 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.277 14.113 -4.102 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.494 15.443 -2.328 1.00 0.00 O ATOM 0 H GLU A 65 -0.839 10.442 0.233 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.735 10.705 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.568 12.076 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.063 12.438 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.639 14.144 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.185 13.339 -2.796 1.00 0.00 H new ATOM 997 N VAL A 66 1.536 11.664 -2.536 1.00 0.00 N ATOM 998 CA VAL A 66 2.907 12.122 -2.436 1.00 0.00 C ATOM 999 C VAL A 66 3.163 13.211 -3.469 1.00 0.00 C ATOM 1000 O VAL A 66 2.649 13.145 -4.584 1.00 0.00 O ATOM 1001 CB VAL A 66 3.853 10.944 -2.646 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.260 9.694 -2.003 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.044 10.704 -4.141 1.00 0.00 C ATOM 0 H VAL A 66 1.265 11.350 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 66 3.084 12.540 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 66 4.817 11.167 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.936 8.852 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.124 9.864 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.296 9.472 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.720 9.862 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.081 10.482 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.468 11.596 -4.601 1.00 0.00 H new ATOM 1013 N LYS A 67 3.961 14.215 -3.097 1.00 0.00 N ATOM 1014 CA LYS A 67 4.280 15.308 -3.993 1.00 0.00 C ATOM 1015 C LYS A 67 5.777 15.331 -4.270 1.00 0.00 C ATOM 1016 O LYS A 67 6.519 14.495 -3.761 1.00 0.00 O ATOM 1017 CB LYS A 67 3.826 16.624 -3.369 1.00 0.00 C ATOM 1018 CG LYS A 67 4.378 16.730 -1.949 1.00 0.00 C ATOM 1019 CD LYS A 67 3.446 17.592 -1.103 1.00 0.00 C ATOM 1020 CE LYS A 67 3.878 19.053 -1.197 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.171 19.264 -0.528 1.00 0.00 N ATOM 0 H LYS A 67 4.395 14.285 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 67 3.759 15.170 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.175 17.464 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.737 16.675 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.472 15.737 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.377 17.166 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.418 17.483 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.470 17.261 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.954 19.347 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.120 19.690 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.221 20.239 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.265 18.597 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.943 19.105 -1.207 1.00 0.00 H new ATOM 1035 N GLU A 68 6.218 16.294 -5.082 1.00 0.00 N ATOM 1036 CA GLU A 68 7.622 16.422 -5.421 1.00 0.00 C ATOM 1037 C GLU A 68 7.909 17.827 -5.930 1.00 0.00 C ATOM 1038 O GLU A 68 7.561 18.166 -7.059 1.00 0.00 O ATOM 1039 CB GLU A 68 7.985 15.380 -6.475 1.00 0.00 C ATOM 1040 CG GLU A 68 9.247 15.820 -7.212 1.00 0.00 C ATOM 1041 CD GLU A 68 8.921 16.266 -8.629 1.00 0.00 C ATOM 1042 OE1 GLU A 68 8.458 15.400 -9.404 1.00 0.00 O ATOM 1043 OE2 GLU A 68 9.140 17.463 -8.912 1.00 0.00 O ATOM 0 H GLU A 68 5.615 16.994 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 68 8.230 16.251 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.146 14.411 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.163 15.259 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.723 16.637 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.962 14.997 -7.241 1.00 0.00 H new ATOM 1050 N GLY A 69 8.547 18.647 -5.092 1.00 0.00 N ATOM 1051 CA GLY A 69 8.876 20.009 -5.462 1.00 0.00 C ATOM 1052 C GLY A 69 7.623 20.751 -5.907 1.00 0.00 C ATOM 1053 O GLY A 69 7.002 21.459 -5.117 1.00 0.00 O ATOM 0 H GLY A 69 8.843 18.383 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.331 20.524 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.611 20.007 -6.267 1.00 0.00 H new ATOM 1057 N ASP A 70 7.254 20.589 -7.179 1.00 0.00 N ATOM 1058 CA ASP A 70 6.082 21.243 -7.725 1.00 0.00 C ATOM 1059 C ASP A 70 5.085 20.198 -8.207 1.00 0.00 C ATOM 1060 O ASP A 70 4.303 20.456 -9.118 1.00 0.00 O ATOM 1061 CB ASP A 70 6.499 22.160 -8.870 1.00 0.00 C ATOM 1062 CG ASP A 70 7.579 23.135 -8.421 1.00 0.00 C ATOM 1063 OD1 ASP A 70 7.434 23.663 -7.297 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.527 23.335 -9.210 1.00 0.00 O ATOM 0 H ASP A 70 7.758 20.006 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 70 5.603 21.844 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.867 21.562 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.632 22.713 -9.232 1.00 0.00 H new ATOM 1069 N ALA A 71 5.116 19.013 -7.591 1.00 0.00 N ATOM 1070 CA ALA A 71 4.220 17.937 -7.961 1.00 0.00 C ATOM 1071 C ALA A 71 3.302 17.606 -6.791 1.00 0.00 C ATOM 1072 O ALA A 71 3.386 18.233 -5.737 1.00 0.00 O ATOM 1073 CB ALA A 71 5.035 16.713 -8.371 1.00 0.00 C ATOM 0 H ALA A 71 5.758 18.783 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 71 3.604 18.246 -8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.360 15.903 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.669 16.966 -9.221 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.659 16.395 -7.536 1.00 0.00 H new ATOM 1079 N LYS A 72 2.426 16.617 -6.980 1.00 0.00 N ATOM 1080 CA LYS A 72 1.500 16.210 -5.942 1.00 0.00 C ATOM 1081 C LYS A 72 0.394 15.352 -6.541 1.00 0.00 C ATOM 1082 O LYS A 72 -0.467 15.856 -7.259 1.00 0.00 O ATOM 1083 CB LYS A 72 0.918 17.449 -5.267 1.00 0.00 C ATOM 1084 CG LYS A 72 0.752 18.560 -6.299 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.691 19.055 -6.288 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.155 19.304 -7.721 1.00 0.00 C ATOM 1087 NZ LYS A 72 -2.301 18.448 -8.060 1.00 0.00 N ATOM 0 H LYS A 72 2.345 16.087 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 72 2.026 15.617 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.045 17.211 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.575 17.780 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.431 19.383 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.013 18.191 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.336 18.318 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.767 19.973 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.431 20.352 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.334 19.110 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.576 18.612 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.038 17.450 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.101 18.676 -7.436 1.00 0.00 H new ATOM 1101 N LYS A 73 0.421 14.051 -6.243 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.577 13.132 -6.753 1.00 0.00 C ATOM 1103 C LYS A 73 -0.840 12.034 -5.732 1.00 0.00 C ATOM 1104 O LYS A 73 -0.303 12.073 -4.624 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.093 12.536 -8.072 1.00 0.00 C ATOM 1106 CG LYS A 73 0.234 13.663 -9.048 1.00 0.00 C ATOM 1107 CD LYS A 73 -1.059 14.338 -9.499 1.00 0.00 C ATOM 1108 CE LYS A 73 -1.303 14.033 -10.975 1.00 0.00 C ATOM 1109 NZ LYS A 73 -1.554 12.598 -11.182 1.00 0.00 N ATOM 0 H LYS A 73 1.128 13.618 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.510 13.667 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.790 11.919 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.860 11.886 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.890 14.392 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.770 13.267 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.897 13.981 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.993 15.415 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.155 14.610 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.438 14.343 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.817 12.431 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.694 12.059 -10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.329 12.288 -10.562 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.666 11.058 -6.105 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.016 9.948 -5.218 1.00 0.00 C ATOM 1125 C LEU A 74 -1.457 8.615 -5.723 1.00 0.00 C ATOM 1126 O LEU A 74 -1.504 8.316 -6.914 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.538 9.858 -5.083 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.049 8.611 -4.332 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.036 8.993 -3.233 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.692 7.619 -5.294 1.00 0.00 C ATOM 0 H LEU A 74 -2.109 11.013 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.568 10.144 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.896 10.748 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.978 9.870 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.186 8.134 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.378 8.093 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.546 9.653 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.890 9.507 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.044 6.749 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.535 8.094 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.958 7.304 -6.036 1.00 0.00 H new ATOM 1142 N TYR A 75 -0.921 7.817 -4.796 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.350 6.530 -5.135 1.00 0.00 C ATOM 1144 C TYR A 75 -0.955 5.448 -4.252 1.00 0.00 C ATOM 1145 O TYR A 75 -0.892 5.534 -3.027 1.00 0.00 O ATOM 1146 CB TYR A 75 1.165 6.586 -4.962 1.00 0.00 C ATOM 1147 CG TYR A 75 1.859 7.435 -6.000 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.541 8.792 -6.120 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.821 6.864 -6.841 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.185 9.580 -7.082 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.466 7.652 -7.803 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.147 9.010 -7.923 1.00 0.00 C ATOM 1153 OH TYR A 75 3.775 9.778 -8.860 1.00 0.00 O ATOM 0 H TYR A 75 -0.875 8.049 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.575 6.290 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.395 6.977 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.565 5.573 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.799 9.232 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.066 5.816 -6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.939 10.628 -7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.209 7.212 -8.452 1.00 0.00 H new ATOM 0 HH TYR A 75 4.414 9.228 -9.359 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.543 4.424 -4.877 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.153 3.333 -4.145 1.00 0.00 C ATOM 1165 C GLU A 76 -1.101 2.289 -3.796 1.00 0.00 C ATOM 1166 O GLU A 76 -0.782 1.428 -4.613 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.268 2.719 -4.986 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.887 3.793 -5.874 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.847 3.179 -6.882 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.578 2.250 -6.476 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -4.832 3.649 -8.039 1.00 0.00 O ATOM 0 H GLU A 76 -1.605 4.336 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.581 3.709 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.872 1.910 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.029 2.285 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.417 4.519 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.100 4.334 -6.399 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.564 2.367 -2.577 1.00 0.00 N ATOM 1179 CA ALA A 77 0.447 1.432 -2.126 1.00 0.00 C ATOM 1180 C ALA A 77 -0.211 0.131 -1.690 1.00 0.00 C ATOM 1181 O ALA A 77 -1.128 0.141 -0.870 1.00 0.00 O ATOM 1182 CB ALA A 77 1.235 2.052 -0.975 1.00 0.00 C ATOM 0 H ALA A 77 -0.819 3.074 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 77 1.134 1.212 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.996 1.349 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.715 2.970 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.558 2.280 -0.152 1.00 0.00 H new ATOM 1188 N LYS A 78 0.259 -0.991 -2.239 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.287 -2.291 -1.904 1.00 0.00 C ATOM 1190 C LYS A 78 0.800 -3.168 -1.298 1.00 0.00 C ATOM 1191 O LYS A 78 1.761 -3.528 -1.976 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.866 -2.938 -3.159 1.00 0.00 C ATOM 1193 CG LYS A 78 -2.389 -2.864 -3.112 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.834 -1.411 -3.255 1.00 0.00 C ATOM 1195 CE LYS A 78 -2.743 -0.993 -4.719 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.771 0.006 -5.048 1.00 0.00 N ATOM 0 H LYS A 78 1.019 -1.016 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.084 -2.176 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.494 -2.429 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.544 -3.977 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.818 -3.467 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.755 -3.276 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.857 -1.296 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.206 -0.765 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.754 -0.583 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.863 -1.867 -5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.441 0.596 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.650 -0.478 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.949 0.607 -4.218 1.00 0.00 H new ATOM 1210 N VAL A 79 0.646 -3.512 -0.018 1.00 0.00 N ATOM 1211 CA VAL A 79 1.611 -4.343 0.673 1.00 0.00 C ATOM 1212 C VAL A 79 1.008 -5.714 0.945 1.00 0.00 C ATOM 1213 O VAL A 79 -0.210 -5.855 1.026 1.00 0.00 O ATOM 1214 CB VAL A 79 2.024 -3.666 1.977 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.897 -4.616 2.790 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.809 -2.396 1.663 1.00 0.00 C ATOM 0 H VAL A 79 -0.145 -3.222 0.556 1.00 0.00 H new ATOM 0 HA VAL A 79 2.496 -4.473 0.051 1.00 0.00 H new ATOM 0 HB VAL A 79 1.134 -3.411 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.192 -4.132 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.336 -5.523 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.788 -4.872 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.105 -1.911 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.699 -2.651 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.185 -1.717 1.083 1.00 0.00 H new ATOM 1226 N TRP A 80 1.866 -6.727 1.086 1.00 0.00 N ATOM 1227 CA TRP A 80 1.411 -8.078 1.349 1.00 0.00 C ATOM 1228 C TRP A 80 2.186 -8.667 2.520 1.00 0.00 C ATOM 1229 O TRP A 80 3.297 -9.163 2.348 1.00 0.00 O ATOM 1230 CB TRP A 80 1.596 -8.929 0.096 1.00 0.00 C ATOM 1231 CG TRP A 80 0.851 -10.226 0.101 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.265 -10.482 0.818 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.144 -11.453 -0.634 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.679 -11.776 0.580 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.156 -12.421 -0.310 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.144 -11.848 -1.540 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.158 -13.708 -0.853 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.156 -13.137 -2.092 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.167 -14.068 -1.751 1.00 0.00 C ATOM 0 H TRP A 80 2.879 -6.629 1.021 1.00 0.00 H new ATOM 0 HA TRP A 80 0.353 -8.064 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.279 -8.348 -0.770 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.658 -9.137 -0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.757 -9.781 1.476 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.500 -12.203 1.008 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.917 -11.146 -1.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.611 -14.416 -0.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.935 -13.414 -2.787 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.184 -15.059 -2.180 1.00 0.00 H new ATOM 1250 N GLU A 81 1.594 -8.609 3.716 1.00 0.00 N ATOM 1251 CA GLU A 81 2.231 -9.137 4.907 1.00 0.00 C ATOM 1252 C GLU A 81 1.507 -10.394 5.368 1.00 0.00 C ATOM 1253 O GLU A 81 0.406 -10.687 4.907 1.00 0.00 O ATOM 1254 CB GLU A 81 2.220 -8.074 6.001 1.00 0.00 C ATOM 1255 CG GLU A 81 0.880 -7.343 5.987 1.00 0.00 C ATOM 1256 CD GLU A 81 0.115 -7.587 7.281 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.620 -7.138 8.332 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.960 -8.218 7.193 1.00 0.00 O ATOM 0 H GLU A 81 0.674 -8.200 3.877 1.00 0.00 H new ATOM 0 HA GLU A 81 3.265 -9.401 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.384 -8.537 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.034 -7.366 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.046 -6.274 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.285 -7.682 5.139 1.00 0.00 H new ATOM 1265 N LYS A 82 2.130 -11.138 6.285 1.00 0.00 N ATOM 1266 CA LYS A 82 1.543 -12.358 6.805 1.00 0.00 C ATOM 1267 C LYS A 82 1.911 -12.523 8.273 1.00 0.00 C ATOM 1268 O LYS A 82 3.084 -12.679 8.608 1.00 0.00 O ATOM 1269 CB LYS A 82 2.036 -13.546 5.986 1.00 0.00 C ATOM 1270 CG LYS A 82 2.060 -13.171 4.508 1.00 0.00 C ATOM 1271 CD LYS A 82 2.856 -14.215 3.729 1.00 0.00 C ATOM 1272 CE LYS A 82 2.079 -14.621 2.482 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.954 -15.295 1.511 1.00 0.00 N ATOM 0 H LYS A 82 3.043 -10.909 6.678 1.00 0.00 H new ATOM 0 HA LYS A 82 0.457 -12.306 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.034 -13.838 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.384 -14.405 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.043 -13.111 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.509 -12.186 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.829 -13.811 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.041 -15.088 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.260 -15.284 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.633 -13.738 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.401 -15.561 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.722 -14.652 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.359 -16.150 1.944 1.00 0.00 H new ATOM 1287 N PRO A 83 0.904 -12.491 9.148 1.00 0.00 N ATOM 1288 CA PRO A 83 1.062 -12.634 10.580 1.00 0.00 C ATOM 1289 C PRO A 83 1.400 -14.080 10.914 1.00 0.00 C ATOM 1290 O PRO A 83 2.305 -14.342 11.703 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.291 -12.237 11.165 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.268 -12.636 10.058 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.485 -12.309 8.788 1.00 0.00 C ATOM 0 HA PRO A 83 1.867 -12.019 10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.499 -12.763 12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.340 -11.170 11.383 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.531 -13.692 10.111 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.199 -12.072 10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.770 -12.968 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.677 -11.288 8.458 1.00 0.00 H new ATOM 1301 N TRP A 84 0.667 -15.020 10.314 1.00 0.00 N ATOM 1302 CA TRP A 84 0.895 -16.430 10.552 1.00 0.00 C ATOM 1303 C TRP A 84 2.384 -16.736 10.476 1.00 0.00 C ATOM 1304 O TRP A 84 2.827 -17.795 10.912 1.00 0.00 O ATOM 1305 CB TRP A 84 0.121 -17.251 9.524 1.00 0.00 C ATOM 1306 CG TRP A 84 0.700 -17.241 8.146 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.730 -18.008 7.728 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.305 -16.439 6.991 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.999 -17.737 6.402 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.147 -16.775 5.898 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.680 -15.462 6.756 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.022 -16.176 4.640 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.814 -14.855 5.500 1.00 0.00 C ATOM 1314 CH2 TRP A 84 0.033 -15.209 4.442 1.00 0.00 C ATOM 0 H TRP A 84 -0.089 -14.820 9.660 1.00 0.00 H new ATOM 0 HA TRP A 84 0.543 -16.694 11.549 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.066 -18.283 9.872 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.901 -16.876 9.476 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.261 -18.724 8.338 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.736 -18.191 5.862 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.344 -15.175 7.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.681 -16.457 3.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.578 -14.107 5.346 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.078 -14.736 3.477 1.00 0.00 H new ATOM 1325 N MET A 85 3.156 -15.800 9.917 1.00 0.00 N ATOM 1326 CA MET A 85 4.588 -15.975 9.785 1.00 0.00 C ATOM 1327 C MET A 85 5.289 -14.630 9.921 1.00 0.00 C ATOM 1328 O MET A 85 6.484 -14.519 9.659 1.00 0.00 O ATOM 1329 CB MET A 85 4.900 -16.611 8.434 1.00 0.00 C ATOM 1330 CG MET A 85 4.567 -15.625 7.318 1.00 0.00 C ATOM 1331 SD MET A 85 4.774 -16.300 5.652 1.00 0.00 S ATOM 1332 CE MET A 85 6.567 -16.112 5.484 1.00 0.00 C ATOM 0 H MET A 85 2.804 -14.915 9.551 1.00 0.00 H new ATOM 0 HA MET A 85 4.951 -16.633 10.575 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.953 -16.889 8.386 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.322 -17.527 8.309 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.536 -15.291 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.201 -14.745 7.424 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.963 -16.925 4.876 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.790 -15.159 5.005 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.030 -16.139 6.471 1.00 0.00 H new ATOM 1342 N ASP A 86 4.539 -13.606 10.333 1.00 0.00 N ATOM 1343 CA ASP A 86 5.087 -12.276 10.501 1.00 0.00 C ATOM 1344 C ASP A 86 6.008 -11.946 9.335 1.00 0.00 C ATOM 1345 O ASP A 86 7.223 -12.098 9.438 1.00 0.00 O ATOM 1346 CB ASP A 86 5.844 -12.202 11.824 1.00 0.00 C ATOM 1347 CG ASP A 86 5.167 -11.235 12.784 1.00 0.00 C ATOM 1348 OD1 ASP A 86 5.440 -10.022 12.655 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.388 -11.726 13.630 1.00 0.00 O ATOM 0 H ASP A 86 3.546 -13.682 10.555 1.00 0.00 H new ATOM 0 HA ASP A 86 4.278 -11.545 10.518 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.894 -13.193 12.275 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.870 -11.882 11.643 1.00 0.00 H new ATOM 1354 N PHE A 87 5.425 -11.495 8.220 1.00 0.00 N ATOM 1355 CA PHE A 87 6.196 -11.149 7.044 1.00 0.00 C ATOM 1356 C PHE A 87 5.538 -9.984 6.320 1.00 0.00 C ATOM 1357 O PHE A 87 4.467 -9.528 6.715 1.00 0.00 O ATOM 1358 CB PHE A 87 6.299 -12.366 6.128 1.00 0.00 C ATOM 1359 CG PHE A 87 6.695 -12.024 4.711 1.00 0.00 C ATOM 1360 CD1 PHE A 87 8.047 -11.973 4.355 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.708 -11.760 3.754 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.413 -11.657 3.042 1.00 0.00 C ATOM 1363 CE2 PHE A 87 6.074 -11.444 2.441 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.427 -11.393 2.085 1.00 0.00 C ATOM 0 H PHE A 87 4.419 -11.364 8.117 1.00 0.00 H new ATOM 0 HA PHE A 87 7.201 -10.846 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.029 -13.062 6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.339 -12.882 6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.808 -12.177 5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.664 -11.800 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.457 -11.617 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.313 -11.240 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.710 -11.150 1.071 1.00 0.00 H new ATOM 1374 N LYS A 88 6.182 -9.500 5.255 1.00 0.00 N ATOM 1375 CA LYS A 88 5.658 -8.391 4.484 1.00 0.00 C ATOM 1376 C LYS A 88 6.582 -8.093 3.312 1.00 0.00 C ATOM 1377 O LYS A 88 7.787 -8.324 3.392 1.00 0.00 O ATOM 1378 CB LYS A 88 5.514 -7.168 5.384 1.00 0.00 C ATOM 1379 CG LYS A 88 6.891 -6.739 5.882 1.00 0.00 C ATOM 1380 CD LYS A 88 6.988 -5.217 5.862 1.00 0.00 C ATOM 1381 CE LYS A 88 7.250 -4.705 7.276 1.00 0.00 C ATOM 1382 NZ LYS A 88 6.221 -5.184 8.210 1.00 0.00 N ATOM 0 H LYS A 88 7.070 -9.867 4.913 1.00 0.00 H new ATOM 0 HA LYS A 88 4.676 -8.652 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.044 -6.352 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.865 -7.399 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.056 -7.111 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.668 -7.172 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.791 -4.902 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.064 -4.788 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.233 -5.038 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.266 -3.615 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.019 -4.445 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.352 -5.408 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.562 -6.039 8.694 1.00 0.00 H new ATOM 1396 N GLU A 89 6.013 -7.575 2.219 1.00 0.00 N ATOM 1397 CA GLU A 89 6.788 -7.248 1.040 1.00 0.00 C ATOM 1398 C GLU A 89 5.984 -6.332 0.128 1.00 0.00 C ATOM 1399 O GLU A 89 4.880 -6.683 -0.290 1.00 0.00 O ATOM 1400 CB GLU A 89 7.174 -8.533 0.313 1.00 0.00 C ATOM 1401 CG GLU A 89 8.390 -8.270 -0.571 1.00 0.00 C ATOM 1402 CD GLU A 89 9.627 -7.996 0.272 1.00 0.00 C ATOM 1403 OE1 GLU A 89 10.230 -8.989 0.734 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.946 -6.799 0.439 1.00 0.00 O ATOM 0 H GLU A 89 5.016 -7.376 2.136 1.00 0.00 H new ATOM 0 HA GLU A 89 7.698 -6.725 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.398 -9.319 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.339 -8.886 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.568 -9.130 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.193 -7.418 -1.222 1.00 0.00 H new ATOM 1411 N LEU A 90 6.539 -5.160 -0.179 1.00 0.00 N ATOM 1412 CA LEU A 90 5.872 -4.180 -1.037 1.00 0.00 C ATOM 1413 C LEU A 90 5.558 -4.750 -2.422 1.00 0.00 C ATOM 1414 O LEU A 90 6.422 -5.319 -3.086 1.00 0.00 O ATOM 1415 CB LEU A 90 6.750 -2.934 -1.173 1.00 0.00 C ATOM 1416 CG LEU A 90 6.029 -1.691 -1.736 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.320 -2.010 -3.049 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.036 -1.132 -0.724 1.00 0.00 C ATOM 0 H LEU A 90 7.456 -4.864 0.156 1.00 0.00 H new ATOM 0 HA LEU A 90 4.924 -3.918 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.159 -2.687 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.594 -3.171 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 90 6.788 -0.934 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.822 -1.115 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.050 -2.350 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.581 -2.794 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.541 -0.257 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.291 -1.892 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.565 -0.847 0.186 1.00 0.00 H new ATOM 1430 N GLN A 91 4.302 -4.595 -2.847 1.00 0.00 N ATOM 1431 CA GLN A 91 3.865 -5.092 -4.137 1.00 0.00 C ATOM 1432 C GLN A 91 3.941 -3.979 -5.172 1.00 0.00 C ATOM 1433 O GLN A 91 4.383 -4.202 -6.297 1.00 0.00 O ATOM 1434 CB GLN A 91 2.440 -5.625 -4.018 1.00 0.00 C ATOM 1435 CG GLN A 91 2.390 -6.714 -2.952 1.00 0.00 C ATOM 1436 CD GLN A 91 2.519 -8.094 -3.579 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.256 -8.272 -4.545 1.00 0.00 O ATOM 1438 NE2 GLN A 91 1.799 -9.073 -3.025 1.00 0.00 N ATOM 0 H GLN A 91 3.573 -4.126 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 91 4.517 -5.904 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.758 -4.815 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.109 -6.025 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.194 -6.561 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.452 -6.647 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.201 -8.875 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.847 -10.019 -3.404 1.00 0.00 H new ATOM 1447 N GLU A 92 3.507 -2.775 -4.789 1.00 0.00 N ATOM 1448 CA GLU A 92 3.530 -1.637 -5.685 1.00 0.00 C ATOM 1449 C GLU A 92 2.648 -0.525 -5.135 1.00 0.00 C ATOM 1450 O GLU A 92 1.602 -0.791 -4.548 1.00 0.00 O ATOM 1451 CB GLU A 92 3.054 -2.070 -7.068 1.00 0.00 C ATOM 1452 CG GLU A 92 4.250 -2.157 -8.013 1.00 0.00 C ATOM 1453 CD GLU A 92 3.998 -3.177 -9.115 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.820 -4.363 -8.761 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.987 -2.751 -10.290 1.00 0.00 O ATOM 0 H GLU A 92 3.136 -2.572 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 92 4.548 -1.257 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.554 -3.037 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.324 -1.358 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.442 -1.179 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.142 -2.435 -7.452 1.00 0.00 H new ATOM 1462 N PHE A 93 3.073 0.725 -5.327 1.00 0.00 N ATOM 1463 CA PHE A 93 2.321 1.869 -4.851 1.00 0.00 C ATOM 1464 C PHE A 93 2.319 2.962 -5.911 1.00 0.00 C ATOM 1465 O PHE A 93 3.310 3.670 -6.080 1.00 0.00 O ATOM 1466 CB PHE A 93 2.939 2.376 -3.552 1.00 0.00 C ATOM 1467 CG PHE A 93 4.004 3.427 -3.760 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.275 3.055 -4.214 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.720 4.773 -3.501 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.262 4.029 -4.409 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.706 5.747 -3.696 1.00 0.00 C ATOM 1472 CZ PHE A 93 5.977 5.375 -4.150 1.00 0.00 C ATOM 0 H PHE A 93 3.938 0.963 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 93 1.289 1.577 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.151 2.788 -2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.372 1.534 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.494 2.017 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.740 5.060 -3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.243 3.742 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.486 6.785 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.738 6.127 -4.300 1.00 0.00 H new ATOM 1482 N LYS A 94 1.199 3.099 -6.626 1.00 0.00 N ATOM 1483 CA LYS A 94 1.073 4.104 -7.662 1.00 0.00 C ATOM 1484 C LYS A 94 -0.397 4.363 -7.956 1.00 0.00 C ATOM 1485 O LYS A 94 -1.268 3.652 -7.461 1.00 0.00 O ATOM 1486 CB LYS A 94 1.800 3.631 -8.918 1.00 0.00 C ATOM 1487 CG LYS A 94 3.115 4.392 -9.061 1.00 0.00 C ATOM 1488 CD LYS A 94 3.476 4.511 -10.539 1.00 0.00 C ATOM 1489 CE LYS A 94 4.391 3.355 -10.934 1.00 0.00 C ATOM 1490 NZ LYS A 94 3.611 2.216 -11.444 1.00 0.00 N ATOM 0 H LYS A 94 0.369 2.520 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 94 1.524 5.037 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.992 2.560 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.175 3.795 -9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.024 5.383 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.908 3.873 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.572 4.497 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.973 5.463 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.096 3.688 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.979 3.041 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.256 1.443 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.956 1.886 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.069 2.513 -12.281 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.672 5.388 -8.768 1.00 0.00 N ATOM 1505 CA PRO A 95 -2.008 5.782 -9.159 1.00 0.00 C ATOM 1506 C PRO A 95 -2.574 4.763 -10.138 1.00 0.00 C ATOM 1507 O PRO A 95 -3.687 4.928 -10.634 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.834 7.145 -9.828 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.429 7.054 -10.420 1.00 0.00 C ATOM 1510 CD PRO A 95 0.328 6.245 -9.368 1.00 0.00 C ATOM 0 HA PRO A 95 -2.699 5.834 -8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.587 7.317 -10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.919 7.961 -9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.430 6.556 -11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.013 8.040 -10.568 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.129 5.661 -9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.788 6.896 -8.625 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.804 3.709 -10.417 1.00 0.00 N ATOM 1519 CA VAL A 96 -2.231 2.672 -11.335 1.00 0.00 C ATOM 1520 C VAL A 96 -2.490 3.274 -12.708 1.00 0.00 C ATOM 1521 O VAL A 96 -3.594 3.737 -12.986 1.00 0.00 O ATOM 1522 CB VAL A 96 -3.488 1.999 -10.791 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -4.094 1.106 -11.871 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -3.128 1.154 -9.574 1.00 0.00 C ATOM 0 H VAL A 96 -0.879 3.559 -10.014 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.447 1.921 -11.433 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.212 2.761 -10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.992 0.625 -11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.353 1.711 -12.740 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.371 0.344 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.026 0.674 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.404 0.392 -9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.696 1.792 -8.803 1.00 0.00 H new