USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 89 SER OG : rot -121:sc= -0.104 USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0.0564 USER MOD Set 2.1: A 88 MET CE :methyl -165:sc= -1.62! (180deg=-1.85!) USER MOD Set 2.2: A 104 ASN : amide:sc= -0.178 K(o=-1.8,f=-4.4!) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0.33 USER MOD Set 3.2: A 52 CYS SG : rot 102:sc= 0.355 USER MOD Set 4.1: A 36 ASN : amide:sc= -13.2! C(o=-19!,f=-21!) USER MOD Set 4.2: A 45 ASN : amide:sc= -5.91! C(o=-19!,f=-19!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 22 TYR OH : rot 98:sc= -1.32 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -136:sc= -2.8! (180deg=-6.63!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -125:sc= -0.694 (180deg=-1.22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= -0.687 (180deg=-2.76!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 47 CYS SG : rot -99:sc= 1.15 USER MOD Single : A 51 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.094) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -4.82! C(o=-4.8!,f=-17!) USER MOD Single : A 67 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 71 MET CE :methyl -179:sc= 0 (180deg=-0.00281) USER MOD Single : A 74 SER OG : rot -96:sc= -0.319 USER MOD Single : A 75 SER OG : rot 38:sc= -0.886! USER MOD Single : A 78 ASN : amide:sc= -0.708 K(o=-0.71,f=-3.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.805 USER MOD Single : A 83 GLN : amide:sc= 0.0151 X(o=0.015,f=-0.0094) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 110 TYR OH : rot 112:sc= 0.221 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc=0.000193 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.713 18.804 2.732 1.00 0.00 N ATOM 121 CA ARG A 11 10.305 17.864 1.788 1.00 0.00 C ATOM 122 C ARG A 11 9.299 17.471 0.710 1.00 0.00 C ATOM 123 O ARG A 11 9.589 17.554 -0.484 1.00 0.00 O ATOM 124 CB ARG A 11 10.797 16.614 2.521 1.00 0.00 C ATOM 125 CG ARG A 11 12.002 16.866 3.412 1.00 0.00 C ATOM 126 CD ARG A 11 13.286 16.950 2.601 1.00 0.00 C ATOM 127 NE ARG A 11 13.577 15.699 1.905 1.00 0.00 N ATOM 128 CZ ARG A 11 14.154 14.653 2.484 1.00 0.00 C ATOM 129 NH1 ARG A 11 14.500 14.706 3.763 1.00 0.00 N ATOM 130 NH2 ARG A 11 14.385 13.549 1.784 1.00 0.00 N ATOM 0 HA ARG A 11 11.153 18.354 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.984 16.215 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.052 15.849 1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.859 17.794 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.086 16.066 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.204 17.758 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.116 17.199 3.262 1.00 0.00 H new ATOM 0 HE ARG A 11 13.323 15.625 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.323 15.552 4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.943 13.901 4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.119 13.504 0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.828 12.746 2.230 1.00 0.00 H new ATOM 144 N LEU A 12 8.117 17.042 1.139 1.00 0.00 N ATOM 145 CA LEU A 12 7.068 16.636 0.210 1.00 0.00 C ATOM 146 C LEU A 12 6.469 17.846 -0.499 1.00 0.00 C ATOM 147 O LEU A 12 6.533 18.976 -0.013 1.00 0.00 O ATOM 148 CB LEU A 12 5.971 15.871 0.953 1.00 0.00 C ATOM 149 CG LEU A 12 6.296 14.424 1.326 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.633 13.615 0.083 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.444 14.376 2.323 1.00 0.00 C ATOM 0 H LEU A 12 7.861 16.966 2.123 1.00 0.00 H new ATOM 0 HA LEU A 12 7.514 15.983 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.731 16.415 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.073 15.873 0.336 1.00 0.00 H new ATOM 0 HG LEU A 12 5.416 13.983 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.861 12.588 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.782 13.622 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.498 14.055 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.662 13.339 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.329 14.835 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.165 14.920 3.225 1.00 0.00 H new ATOM 163 N PRO A 13 5.871 17.607 -1.676 1.00 0.00 N ATOM 164 CA PRO A 13 5.247 18.665 -2.476 1.00 0.00 C ATOM 165 C PRO A 13 3.977 19.208 -1.829 1.00 0.00 C ATOM 166 O PRO A 13 2.912 18.598 -1.926 1.00 0.00 O ATOM 167 CB PRO A 13 4.918 17.964 -3.796 1.00 0.00 C ATOM 168 CG PRO A 13 4.786 16.524 -3.437 1.00 0.00 C ATOM 169 CD PRO A 13 5.758 16.286 -2.316 1.00 0.00 C ATOM 0 HA PRO A 13 5.900 19.530 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.996 18.350 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.706 18.118 -4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.767 16.291 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.012 15.886 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.391 15.532 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.721 15.936 -2.687 1.00 0.00 H new ATOM 177 N GLU A 14 4.097 20.356 -1.171 1.00 0.00 N ATOM 178 CA GLU A 14 2.958 20.979 -0.509 1.00 0.00 C ATOM 179 C GLU A 14 1.773 21.101 -1.463 1.00 0.00 C ATOM 180 O GLU A 14 0.619 21.154 -1.036 1.00 0.00 O ATOM 181 CB GLU A 14 3.342 22.362 0.023 1.00 0.00 C ATOM 182 CG GLU A 14 3.808 23.322 -1.058 1.00 0.00 C ATOM 183 CD GLU A 14 4.447 24.574 -0.491 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.702 25.452 -0.005 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.691 24.678 -0.532 1.00 0.00 O ATOM 0 H GLU A 14 4.972 20.873 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 14 2.666 20.344 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.484 22.795 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.134 22.250 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.524 22.815 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.958 23.602 -1.680 1.00 0.00 H new ATOM 192 N THR A 15 2.067 21.144 -2.759 1.00 0.00 N ATOM 193 CA THR A 15 1.028 21.261 -3.774 1.00 0.00 C ATOM 194 C THR A 15 0.344 19.921 -4.017 1.00 0.00 C ATOM 195 O THR A 15 -0.422 19.768 -4.969 1.00 0.00 O ATOM 196 CB THR A 15 1.601 21.781 -5.107 1.00 0.00 C ATOM 197 OG1 THR A 15 2.786 21.054 -5.447 1.00 0.00 O ATOM 198 CG2 THR A 15 1.919 23.266 -5.016 1.00 0.00 C ATOM 0 H THR A 15 3.016 21.100 -3.130 1.00 0.00 H new ATOM 0 HA THR A 15 0.297 21.976 -3.397 1.00 0.00 H new ATOM 0 HB THR A 15 0.850 21.633 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.143 21.389 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.322 23.611 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.009 23.820 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.654 23.433 -4.229 1.00 0.00 H new ATOM 206 N ILE A 16 0.624 18.953 -3.151 1.00 0.00 N ATOM 207 CA ILE A 16 0.033 17.626 -3.271 1.00 0.00 C ATOM 208 C ILE A 16 -0.273 17.034 -1.900 1.00 0.00 C ATOM 209 O ILE A 16 0.317 17.431 -0.895 1.00 0.00 O ATOM 210 CB ILE A 16 0.960 16.664 -4.038 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.540 17.357 -5.273 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.204 15.405 -4.435 1.00 0.00 C ATOM 213 CD1 ILE A 16 2.614 16.551 -5.969 1.00 0.00 C ATOM 0 H ILE A 16 1.257 19.063 -2.358 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.896 17.744 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 16 1.784 16.378 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.734 17.559 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.954 18.321 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.872 14.735 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.165 14.905 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.638 15.672 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.979 17.103 -6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.438 16.371 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.199 15.597 -6.295 1.00 0.00 H new ATOM 225 N ASP A 17 -1.198 16.081 -1.866 1.00 0.00 N ATOM 226 CA ASP A 17 -1.581 15.431 -0.618 1.00 0.00 C ATOM 227 C ASP A 17 -1.360 13.924 -0.700 1.00 0.00 C ATOM 228 O ASP A 17 -2.091 13.216 -1.394 1.00 0.00 O ATOM 229 CB ASP A 17 -3.045 15.728 -0.291 1.00 0.00 C ATOM 230 CG ASP A 17 -3.448 15.220 1.079 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.885 15.708 2.081 1.00 0.00 O ATOM 232 OD2 ASP A 17 -4.325 14.333 1.150 1.00 0.00 O ATOM 0 H ASP A 17 -1.697 15.741 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.952 15.829 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.214 16.804 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.683 15.270 -1.047 1.00 0.00 H new ATOM 237 N LEU A 18 -0.348 13.440 0.012 1.00 0.00 N ATOM 238 CA LEU A 18 -0.030 12.016 0.019 1.00 0.00 C ATOM 239 C LEU A 18 -1.301 11.174 0.067 1.00 0.00 C ATOM 240 O LEU A 18 -1.482 10.259 -0.734 1.00 0.00 O ATOM 241 CB LEU A 18 0.864 11.679 1.213 1.00 0.00 C ATOM 242 CG LEU A 18 2.371 11.747 0.964 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.120 11.944 2.273 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.852 10.488 0.256 1.00 0.00 C ATOM 0 H LEU A 18 0.266 14.012 0.592 1.00 0.00 H new ATOM 0 HA LEU A 18 0.503 11.784 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.620 12.360 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.617 10.673 1.554 1.00 0.00 H new ATOM 0 HG LEU A 18 2.575 12.602 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.191 11.990 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.797 12.874 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.910 11.109 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.927 10.554 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.635 9.617 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.339 10.390 -0.701 1.00 0.00 H new ATOM 256 N GLY A 19 -2.181 11.493 1.012 1.00 0.00 N ATOM 257 CA GLY A 19 -3.425 10.758 1.146 1.00 0.00 C ATOM 258 C GLY A 19 -4.122 10.552 -0.184 1.00 0.00 C ATOM 259 O GLY A 19 -4.522 9.437 -0.516 1.00 0.00 O ATOM 0 H GLY A 19 -2.054 12.247 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.223 9.788 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.090 11.295 1.822 1.00 0.00 H new ATOM 263 N ALA A 20 -4.270 11.630 -0.947 1.00 0.00 N ATOM 264 CA ALA A 20 -4.923 11.562 -2.248 1.00 0.00 C ATOM 265 C ALA A 20 -4.129 10.693 -3.217 1.00 0.00 C ATOM 266 O ALA A 20 -4.703 9.979 -4.040 1.00 0.00 O ATOM 267 CB ALA A 20 -5.108 12.960 -2.819 1.00 0.00 C ATOM 0 H ALA A 20 -3.946 12.561 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.903 11.105 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.597 12.894 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.725 13.551 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.135 13.438 -2.934 1.00 0.00 H new ATOM 273 N LEU A 21 -2.806 10.758 -3.114 1.00 0.00 N ATOM 274 CA LEU A 21 -1.932 9.977 -3.982 1.00 0.00 C ATOM 275 C LEU A 21 -2.117 8.483 -3.739 1.00 0.00 C ATOM 276 O LEU A 21 -2.345 7.715 -4.674 1.00 0.00 O ATOM 277 CB LEU A 21 -0.471 10.366 -3.751 1.00 0.00 C ATOM 278 CG LEU A 21 0.540 9.802 -4.750 1.00 0.00 C ATOM 279 CD1 LEU A 21 -0.018 8.563 -5.432 1.00 0.00 C ATOM 280 CD2 LEU A 21 0.916 10.857 -5.781 1.00 0.00 C ATOM 0 H LEU A 21 -2.315 11.343 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.200 10.194 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.399 11.453 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.183 10.041 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 21 1.440 9.517 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.715 8.176 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.236 7.802 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.934 8.822 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.636 10.438 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.023 11.172 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.358 11.717 -5.277 1.00 0.00 H new ATOM 292 N TYR A 22 -2.019 8.078 -2.477 1.00 0.00 N ATOM 293 CA TYR A 22 -2.175 6.675 -2.111 1.00 0.00 C ATOM 294 C TYR A 22 -3.461 6.099 -2.696 1.00 0.00 C ATOM 295 O TYR A 22 -3.517 4.927 -3.070 1.00 0.00 O ATOM 296 CB TYR A 22 -2.180 6.522 -0.589 1.00 0.00 C ATOM 297 CG TYR A 22 -2.783 5.219 -0.114 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.044 4.042 -0.131 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.090 5.164 0.352 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.590 2.849 0.301 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.644 3.976 0.788 1.00 0.00 C ATOM 302 CZ TYR A 22 -3.890 2.821 0.760 1.00 0.00 C ATOM 303 OH TYR A 22 -4.439 1.636 1.192 1.00 0.00 O ATOM 0 H TYR A 22 -1.832 8.701 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.331 6.122 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.156 6.594 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.735 7.351 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.025 4.061 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.684 6.066 0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.002 1.943 0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.662 3.952 1.149 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.383 1.587 2.169 1.00 0.00 H new ATOM 313 N LEU A 23 -4.493 6.932 -2.772 1.00 0.00 N ATOM 314 CA LEU A 23 -5.780 6.508 -3.312 1.00 0.00 C ATOM 315 C LEU A 23 -5.653 6.118 -4.781 1.00 0.00 C ATOM 316 O LEU A 23 -6.227 5.122 -5.221 1.00 0.00 O ATOM 317 CB LEU A 23 -6.814 7.624 -3.156 1.00 0.00 C ATOM 318 CG LEU A 23 -7.221 7.968 -1.722 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.751 9.391 -1.645 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.260 6.981 -1.212 1.00 0.00 C ATOM 0 H LEU A 23 -4.464 7.905 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.111 5.634 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.420 8.525 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.710 7.341 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.338 7.896 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.036 9.618 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.976 10.086 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.622 9.491 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.538 7.241 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.143 7.020 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.844 5.974 -1.230 1.00 0.00 H new ATOM 332 N SER A 24 -4.895 6.909 -5.534 1.00 0.00 N ATOM 333 CA SER A 24 -4.693 6.648 -6.954 1.00 0.00 C ATOM 334 C SER A 24 -4.022 5.295 -7.168 1.00 0.00 C ATOM 335 O SER A 24 -4.234 4.639 -8.188 1.00 0.00 O ATOM 336 CB SER A 24 -3.845 7.756 -7.582 1.00 0.00 C ATOM 337 OG SER A 24 -4.598 8.944 -7.747 1.00 0.00 O ATOM 0 H SER A 24 -4.411 7.736 -5.184 1.00 0.00 H new ATOM 0 HA SER A 24 -5.670 6.630 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.978 7.956 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.467 7.425 -8.549 1.00 0.00 H new ATOM 0 HG SER A 24 -4.033 9.637 -8.148 1.00 0.00 H new ATOM 343 N MET A 25 -3.213 4.883 -6.198 1.00 0.00 N ATOM 344 CA MET A 25 -2.511 3.607 -6.278 1.00 0.00 C ATOM 345 C MET A 25 -3.445 2.451 -5.935 1.00 0.00 C ATOM 346 O MET A 25 -3.190 1.304 -6.302 1.00 0.00 O ATOM 347 CB MET A 25 -1.307 3.603 -5.335 1.00 0.00 C ATOM 348 CG MET A 25 -0.537 4.914 -5.325 1.00 0.00 C ATOM 349 SD MET A 25 0.884 4.877 -4.217 1.00 0.00 S ATOM 350 CE MET A 25 2.229 5.069 -5.384 1.00 0.00 C ATOM 0 H MET A 25 -3.027 5.414 -5.347 1.00 0.00 H new ATOM 0 HA MET A 25 -2.161 3.476 -7.302 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.649 3.385 -4.323 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.632 2.797 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.198 5.140 -6.336 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.205 5.721 -5.025 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.027 4.368 -5.138 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.867 4.868 -6.392 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.613 6.088 -5.333 1.00 0.00 H new ATOM 360 N LYS A 26 -4.527 2.760 -5.229 1.00 0.00 N ATOM 361 CA LYS A 26 -5.500 1.747 -4.837 1.00 0.00 C ATOM 362 C LYS A 26 -6.382 1.354 -6.018 1.00 0.00 C ATOM 363 O LYS A 26 -6.999 0.288 -6.016 1.00 0.00 O ATOM 364 CB LYS A 26 -6.369 2.263 -3.687 1.00 0.00 C ATOM 365 CG LYS A 26 -5.624 2.385 -2.369 1.00 0.00 C ATOM 366 CD LYS A 26 -6.549 2.169 -1.184 1.00 0.00 C ATOM 367 CE LYS A 26 -7.757 3.091 -1.244 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.450 3.184 0.071 1.00 0.00 N ATOM 0 H LYS A 26 -4.753 3.704 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.954 0.864 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.773 3.238 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.217 1.592 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.815 1.655 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.166 3.372 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.883 1.131 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.002 2.344 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.440 4.085 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.455 2.726 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.267 3.822 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.775 2.239 0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.792 3.556 0.785 1.00 0.00 H new ATOM 382 N ASP A 27 -6.436 2.219 -7.024 1.00 0.00 N ATOM 383 CA ASP A 27 -7.240 1.960 -8.213 1.00 0.00 C ATOM 384 C ASP A 27 -6.805 0.666 -8.892 1.00 0.00 C ATOM 385 O ASP A 27 -5.640 0.273 -8.818 1.00 0.00 O ATOM 386 CB ASP A 27 -7.129 3.128 -9.194 1.00 0.00 C ATOM 387 CG ASP A 27 -8.359 3.267 -10.070 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.482 2.498 -11.046 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.198 4.145 -9.778 1.00 0.00 O ATOM 0 H ASP A 27 -5.933 3.106 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.279 1.854 -7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.976 4.053 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.251 2.987 -9.825 1.00 0.00 H new ATOM 394 N THR A 28 -7.749 0.005 -9.555 1.00 0.00 N ATOM 395 CA THR A 28 -7.464 -1.247 -10.246 1.00 0.00 C ATOM 396 C THR A 28 -6.826 -0.991 -11.606 1.00 0.00 C ATOM 397 O THR A 28 -5.954 -1.740 -12.043 1.00 0.00 O ATOM 398 CB THR A 28 -8.742 -2.084 -10.441 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.403 -3.467 -10.596 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.521 -1.609 -11.658 1.00 0.00 C ATOM 0 H THR A 28 -8.718 0.316 -9.628 1.00 0.00 H new ATOM 0 HA THR A 28 -6.767 -1.803 -9.619 1.00 0.00 H new ATOM 0 HB THR A 28 -9.368 -1.960 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.221 -3.993 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.419 -2.216 -11.775 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.803 -0.565 -11.524 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.900 -1.706 -12.548 1.00 0.00 H new ATOM 408 N GLU A 29 -7.266 0.073 -12.271 1.00 0.00 N ATOM 409 CA GLU A 29 -6.737 0.427 -13.582 1.00 0.00 C ATOM 410 C GLU A 29 -5.868 1.679 -13.499 1.00 0.00 C ATOM 411 O GLU A 29 -5.013 1.914 -14.353 1.00 0.00 O ATOM 412 CB GLU A 29 -7.879 0.651 -14.575 1.00 0.00 C ATOM 413 CG GLU A 29 -9.100 1.314 -13.959 1.00 0.00 C ATOM 414 CD GLU A 29 -9.934 2.064 -14.980 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.451 2.256 -16.115 1.00 0.00 O ATOM 416 OE2 GLU A 29 -11.070 2.457 -14.643 1.00 0.00 O ATOM 0 H GLU A 29 -7.987 0.704 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.119 -0.401 -13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.518 1.267 -15.398 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.173 -0.309 -15.000 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.717 0.555 -13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.779 2.005 -13.179 1.00 0.00 H new ATOM 423 N LYS A 30 -6.095 2.481 -12.464 1.00 0.00 N ATOM 424 CA LYS A 30 -5.334 3.709 -12.266 1.00 0.00 C ATOM 425 C LYS A 30 -4.384 3.576 -11.080 1.00 0.00 C ATOM 426 O LYS A 30 -3.793 4.557 -10.633 1.00 0.00 O ATOM 427 CB LYS A 30 -6.282 4.890 -12.044 1.00 0.00 C ATOM 428 CG LYS A 30 -7.451 4.922 -13.013 1.00 0.00 C ATOM 429 CD LYS A 30 -7.110 5.698 -14.274 1.00 0.00 C ATOM 430 CE LYS A 30 -8.314 5.826 -15.193 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.448 4.652 -16.100 1.00 0.00 N ATOM 0 H LYS A 30 -6.800 2.302 -11.749 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.742 3.889 -13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.667 4.850 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.719 5.819 -12.136 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.734 3.903 -13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.315 5.377 -12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.749 6.691 -14.005 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.299 5.197 -14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.219 5.927 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.222 6.735 -15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.482 4.978 -17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.632 4.020 -15.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.323 4.138 -15.875 1.00 0.00 H new ATOM 445 N GLY A 31 -4.242 2.354 -10.575 1.00 0.00 N ATOM 446 CA GLY A 31 -3.361 2.115 -9.447 1.00 0.00 C ATOM 447 C GLY A 31 -2.172 1.249 -9.813 1.00 0.00 C ATOM 448 O GLY A 31 -2.039 0.817 -10.958 1.00 0.00 O ATOM 0 H GLY A 31 -4.722 1.525 -10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.006 3.070 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.923 1.635 -8.646 1.00 0.00 H new ATOM 452 N ILE A 32 -1.305 0.996 -8.838 1.00 0.00 N ATOM 453 CA ILE A 32 -0.121 0.177 -9.064 1.00 0.00 C ATOM 454 C ILE A 32 -0.497 -1.285 -9.285 1.00 0.00 C ATOM 455 O ILE A 32 -1.451 -1.788 -8.691 1.00 0.00 O ATOM 456 CB ILE A 32 0.862 0.269 -7.882 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.443 1.681 -7.783 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.974 -0.758 -8.035 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.109 1.968 -6.455 1.00 0.00 C ATOM 0 H ILE A 32 -1.400 1.346 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 32 0.364 0.565 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 32 0.320 0.053 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.170 1.823 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.645 2.406 -7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.660 -0.680 -7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.544 -1.759 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.516 -0.572 -8.962 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.498 2.986 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.381 1.858 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.929 1.267 -6.300 1.00 0.00 H new ATOM 471 N LYS A 33 0.260 -1.962 -10.141 1.00 0.00 N ATOM 472 CA LYS A 33 0.009 -3.367 -10.439 1.00 0.00 C ATOM 473 C LYS A 33 0.220 -4.232 -9.201 1.00 0.00 C ATOM 474 O LYS A 33 1.118 -3.976 -8.400 1.00 0.00 O ATOM 475 CB LYS A 33 0.927 -3.842 -11.568 1.00 0.00 C ATOM 476 CG LYS A 33 0.618 -3.205 -12.912 1.00 0.00 C ATOM 477 CD LYS A 33 -0.450 -3.980 -13.664 1.00 0.00 C ATOM 478 CE LYS A 33 -1.806 -3.863 -12.985 1.00 0.00 C ATOM 479 NZ LYS A 33 -2.926 -4.091 -13.940 1.00 0.00 N ATOM 0 H LYS A 33 1.053 -1.560 -10.641 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.029 -3.465 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.961 -3.623 -11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.844 -4.925 -11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.285 -2.178 -12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.527 -3.160 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.520 -3.607 -14.686 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.163 -5.030 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.869 -4.587 -12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.905 -2.873 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.833 -4.003 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.881 -3.385 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.847 -5.045 -14.347 1.00 0.00 H new ATOM 493 N GLU A 34 -0.613 -5.257 -9.051 1.00 0.00 N ATOM 494 CA GLU A 34 -0.516 -6.159 -7.910 1.00 0.00 C ATOM 495 C GLU A 34 -0.155 -7.571 -8.362 1.00 0.00 C ATOM 496 O GLU A 34 -0.650 -8.055 -9.381 1.00 0.00 O ATOM 497 CB GLU A 34 -1.836 -6.182 -7.136 1.00 0.00 C ATOM 498 CG GLU A 34 -2.210 -4.840 -6.530 1.00 0.00 C ATOM 499 CD GLU A 34 -3.686 -4.740 -6.197 1.00 0.00 C ATOM 500 OE1 GLU A 34 -4.515 -5.016 -7.090 1.00 0.00 O ATOM 501 OE2 GLU A 34 -4.012 -4.387 -5.044 1.00 0.00 O ATOM 0 H GLU A 34 -1.362 -5.483 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 34 0.275 -5.792 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.634 -6.504 -7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.768 -6.924 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.626 -4.679 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.944 -4.045 -7.226 1.00 0.00 H new ATOM 508 N LEU A 35 0.712 -8.227 -7.598 1.00 0.00 N ATOM 509 CA LEU A 35 1.141 -9.583 -7.918 1.00 0.00 C ATOM 510 C LEU A 35 1.506 -10.353 -6.653 1.00 0.00 C ATOM 511 O LEU A 35 1.549 -9.787 -5.561 1.00 0.00 O ATOM 512 CB LEU A 35 2.338 -9.549 -8.871 1.00 0.00 C ATOM 513 CG LEU A 35 2.438 -8.322 -9.778 1.00 0.00 C ATOM 514 CD1 LEU A 35 3.892 -8.020 -10.108 1.00 0.00 C ATOM 515 CD2 LEU A 35 1.634 -8.535 -11.052 1.00 0.00 C ATOM 0 H LEU A 35 1.132 -7.841 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 35 0.310 -10.094 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.251 -9.614 -8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.302 -10.439 -9.499 1.00 0.00 H new ATOM 0 HG LEU A 35 2.021 -7.466 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.944 -7.144 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.441 -7.825 -9.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.334 -8.875 -10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.716 -7.652 -11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.022 -9.403 -11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.587 -8.703 -10.798 1.00 0.00 H new ATOM 527 N ASN A 36 1.770 -11.646 -6.808 1.00 0.00 N ATOM 528 CA ASN A 36 2.134 -12.493 -5.678 1.00 0.00 C ATOM 529 C ASN A 36 3.445 -13.225 -5.945 1.00 0.00 C ATOM 530 O ASN A 36 3.461 -14.282 -6.577 1.00 0.00 O ATOM 531 CB ASN A 36 1.021 -13.504 -5.393 1.00 0.00 C ATOM 532 CG ASN A 36 1.146 -14.129 -4.017 1.00 0.00 C ATOM 533 OD1 ASN A 36 1.854 -13.615 -3.151 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.458 -15.246 -3.810 1.00 0.00 N ATOM 0 H ASN A 36 1.739 -12.130 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 36 2.268 -11.853 -4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.054 -13.009 -5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.044 -14.289 -6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.504 -15.713 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.116 -15.637 -4.557 1.00 0.00 H new ATOM 541 N LEU A 37 4.543 -12.656 -5.461 1.00 0.00 N ATOM 542 CA LEU A 37 5.861 -13.254 -5.647 1.00 0.00 C ATOM 543 C LEU A 37 6.271 -14.060 -4.418 1.00 0.00 C ATOM 544 O LEU A 37 5.737 -13.862 -3.328 1.00 0.00 O ATOM 545 CB LEU A 37 6.901 -12.168 -5.928 1.00 0.00 C ATOM 546 CG LEU A 37 6.563 -11.191 -7.056 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.207 -9.838 -6.801 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.009 -11.752 -8.398 1.00 0.00 C ATOM 0 H LEU A 37 4.547 -11.781 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 37 5.809 -13.929 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.056 -11.596 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.848 -12.653 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 37 5.482 -11.056 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.956 -9.156 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.839 -9.431 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.289 -9.955 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.761 -11.044 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.086 -11.917 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.500 -12.698 -8.584 1.00 0.00 H new ATOM 560 N GLU A 38 7.225 -14.968 -4.604 1.00 0.00 N ATOM 561 CA GLU A 38 7.707 -15.802 -3.510 1.00 0.00 C ATOM 562 C GLU A 38 9.187 -15.546 -3.243 1.00 0.00 C ATOM 563 O GLU A 38 10.022 -15.664 -4.140 1.00 0.00 O ATOM 564 CB GLU A 38 7.484 -17.282 -3.831 1.00 0.00 C ATOM 565 CG GLU A 38 8.177 -18.226 -2.863 1.00 0.00 C ATOM 566 CD GLU A 38 9.609 -18.524 -3.264 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.920 -18.422 -4.469 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.417 -18.860 -2.373 1.00 0.00 O ATOM 0 H GLU A 38 7.678 -15.144 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 38 7.143 -15.543 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.414 -17.489 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.841 -17.484 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.167 -17.789 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.617 -19.160 -2.808 1.00 0.00 H new ATOM 575 N LYS A 39 9.506 -15.195 -2.001 1.00 0.00 N ATOM 576 CA LYS A 39 10.885 -14.923 -1.613 1.00 0.00 C ATOM 577 C LYS A 39 11.121 -15.289 -0.151 1.00 0.00 C ATOM 578 O LYS A 39 10.274 -15.038 0.706 1.00 0.00 O ATOM 579 CB LYS A 39 11.218 -13.447 -1.840 1.00 0.00 C ATOM 580 CG LYS A 39 12.662 -13.093 -1.524 1.00 0.00 C ATOM 581 CD LYS A 39 13.595 -13.502 -2.652 1.00 0.00 C ATOM 582 CE LYS A 39 13.661 -12.437 -3.735 1.00 0.00 C ATOM 583 NZ LYS A 39 14.298 -12.950 -4.979 1.00 0.00 N ATOM 0 H LYS A 39 8.828 -15.092 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 39 11.539 -15.537 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.009 -13.192 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.559 -12.836 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.745 -12.020 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.966 -13.588 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.594 -13.679 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.253 -14.442 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.654 -12.086 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.223 -11.579 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.324 -12.194 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.268 -13.262 -4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.748 -13.753 -5.345 1.00 0.00 H new ATOM 597 N ASP A 40 12.276 -15.883 0.126 1.00 0.00 N ATOM 598 CA ASP A 40 12.625 -16.281 1.485 1.00 0.00 C ATOM 599 C ASP A 40 11.635 -17.311 2.020 1.00 0.00 C ATOM 600 O ASP A 40 11.133 -17.184 3.137 1.00 0.00 O ATOM 601 CB ASP A 40 12.656 -15.060 2.405 1.00 0.00 C ATOM 602 CG ASP A 40 14.013 -14.383 2.423 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.908 -14.865 3.149 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.180 -13.372 1.710 1.00 0.00 O ATOM 0 H ASP A 40 12.987 -16.100 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 40 13.616 -16.734 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.901 -14.345 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.392 -15.365 3.418 1.00 0.00 H new ATOM 609 N LYS A 41 11.357 -18.330 1.215 1.00 0.00 N ATOM 610 CA LYS A 41 10.427 -19.383 1.606 1.00 0.00 C ATOM 611 C LYS A 41 9.084 -18.794 2.027 1.00 0.00 C ATOM 612 O LYS A 41 8.420 -19.314 2.925 1.00 0.00 O ATOM 613 CB LYS A 41 11.014 -20.211 2.751 1.00 0.00 C ATOM 614 CG LYS A 41 12.287 -20.950 2.377 1.00 0.00 C ATOM 615 CD LYS A 41 11.994 -22.163 1.509 1.00 0.00 C ATOM 616 CE LYS A 41 13.272 -22.887 1.113 1.00 0.00 C ATOM 617 NZ LYS A 41 12.999 -24.041 0.213 1.00 0.00 N ATOM 0 H LYS A 41 11.763 -18.449 0.287 1.00 0.00 H new ATOM 0 HA LYS A 41 10.266 -20.030 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.221 -19.553 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.269 -20.933 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.958 -20.275 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.805 -21.266 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.339 -22.848 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.459 -21.849 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.945 -22.189 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.783 -23.238 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.895 -24.508 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.377 -24.719 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.534 -23.703 -0.654 1.00 0.00 H new ATOM 631 N LYS A 42 8.688 -17.708 1.372 1.00 0.00 N ATOM 632 CA LYS A 42 7.423 -17.049 1.676 1.00 0.00 C ATOM 633 C LYS A 42 6.817 -16.430 0.421 1.00 0.00 C ATOM 634 O LYS A 42 7.524 -16.154 -0.549 1.00 0.00 O ATOM 635 CB LYS A 42 7.629 -15.971 2.742 1.00 0.00 C ATOM 636 CG LYS A 42 7.995 -16.527 4.107 1.00 0.00 C ATOM 637 CD LYS A 42 8.416 -15.424 5.064 1.00 0.00 C ATOM 638 CE LYS A 42 7.212 -14.766 5.721 1.00 0.00 C ATOM 639 NZ LYS A 42 6.474 -13.888 4.772 1.00 0.00 N ATOM 0 H LYS A 42 9.225 -17.265 0.627 1.00 0.00 H new ATOM 0 HA LYS A 42 6.733 -17.801 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.416 -15.292 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.716 -15.382 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.143 -17.065 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.806 -17.248 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.070 -15.837 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.993 -14.673 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.540 -15.535 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.542 -14.179 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.084 -13.072 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.124 -13.553 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.698 -14.425 4.334 1.00 0.00 H new ATOM 653 N ILE A 43 5.507 -16.212 0.448 1.00 0.00 N ATOM 654 CA ILE A 43 4.808 -15.622 -0.687 1.00 0.00 C ATOM 655 C ILE A 43 4.003 -14.399 -0.261 1.00 0.00 C ATOM 656 O ILE A 43 3.115 -14.490 0.587 1.00 0.00 O ATOM 657 CB ILE A 43 3.862 -16.638 -1.355 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.565 -17.986 -1.527 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.381 -16.109 -2.698 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.741 -19.005 -2.282 1.00 0.00 C ATOM 0 H ILE A 43 4.908 -16.435 1.243 1.00 0.00 H new ATOM 0 HA ILE A 43 5.570 -15.320 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 43 2.994 -16.783 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.507 -17.831 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.811 -18.386 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.714 -16.838 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.847 -15.171 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.238 -15.939 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.302 -19.936 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.810 -19.189 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.517 -18.625 -3.279 1.00 0.00 H new ATOM 672 N PHE A 44 4.318 -13.254 -0.857 1.00 0.00 N ATOM 673 CA PHE A 44 3.624 -12.011 -0.541 1.00 0.00 C ATOM 674 C PHE A 44 2.567 -11.695 -1.595 1.00 0.00 C ATOM 675 O PHE A 44 2.891 -11.341 -2.728 1.00 0.00 O ATOM 676 CB PHE A 44 4.622 -10.855 -0.441 1.00 0.00 C ATOM 677 CG PHE A 44 5.783 -11.143 0.467 1.00 0.00 C ATOM 678 CD1 PHE A 44 5.692 -10.901 1.828 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.967 -11.655 -0.041 1.00 0.00 C ATOM 680 CE1 PHE A 44 6.758 -11.165 2.667 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.036 -11.921 0.793 1.00 0.00 C ATOM 682 CZ PHE A 44 7.932 -11.675 2.148 1.00 0.00 C ATOM 0 H PHE A 44 5.050 -13.161 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 44 3.127 -12.137 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.999 -10.624 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.102 -9.967 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.777 -10.501 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.055 -11.848 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.673 -10.973 3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.953 -12.321 0.385 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.767 -11.881 2.801 1.00 0.00 H new ATOM 692 N ASN A 45 1.301 -11.826 -1.213 1.00 0.00 N ATOM 693 CA ASN A 45 0.195 -11.555 -2.124 1.00 0.00 C ATOM 694 C ASN A 45 -0.103 -10.060 -2.190 1.00 0.00 C ATOM 695 O ASN A 45 0.301 -9.297 -1.313 1.00 0.00 O ATOM 696 CB ASN A 45 -1.056 -12.317 -1.682 1.00 0.00 C ATOM 697 CG ASN A 45 -0.739 -13.718 -1.197 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.131 -13.900 -0.142 1.00 0.00 O ATOM 699 ND2 ASN A 45 -1.150 -14.718 -1.969 1.00 0.00 N ATOM 0 H ASN A 45 1.015 -12.118 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 45 0.486 -11.893 -3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.553 -11.763 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.757 -12.374 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.965 -15.683 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.651 -14.521 -2.835 1.00 0.00 H new ATOM 706 N HIS A 46 -0.813 -9.650 -3.237 1.00 0.00 N ATOM 707 CA HIS A 46 -1.166 -8.246 -3.417 1.00 0.00 C ATOM 708 C HIS A 46 0.038 -7.345 -3.158 1.00 0.00 C ATOM 709 O HIS A 46 -0.095 -6.266 -2.581 1.00 0.00 O ATOM 710 CB HIS A 46 -2.314 -7.863 -2.483 1.00 0.00 C ATOM 711 CG HIS A 46 -3.652 -8.351 -2.947 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.238 -7.935 -4.123 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.518 -9.227 -2.386 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.408 -8.533 -4.265 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.601 -9.323 -3.224 1.00 0.00 N ATOM 0 H HIS A 46 -1.155 -10.269 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.486 -8.107 -4.450 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.114 -8.266 -1.490 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.346 -6.778 -2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.382 -9.753 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.090 -8.399 -5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.421 -9.909 -3.068 1.00 0.00 H new ATOM 724 N CYS A 47 1.211 -7.796 -3.589 1.00 0.00 N ATOM 725 CA CYS A 47 2.439 -7.031 -3.402 1.00 0.00 C ATOM 726 C CYS A 47 2.984 -6.543 -4.740 1.00 0.00 C ATOM 727 O CYS A 47 2.674 -7.104 -5.791 1.00 0.00 O ATOM 728 CB CYS A 47 3.491 -7.882 -2.689 1.00 0.00 C ATOM 729 SG CYS A 47 4.344 -9.057 -3.766 1.00 0.00 S ATOM 0 H CYS A 47 1.338 -8.687 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 47 2.207 -6.162 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.229 -7.222 -2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.011 -8.431 -1.879 1.00 0.00 H new ATOM 0 HG CYS A 47 3.812 -10.235 -3.631 1.00 0.00 H new ATOM 735 N PHE A 48 3.797 -5.492 -4.695 1.00 0.00 N ATOM 736 CA PHE A 48 4.383 -4.926 -5.904 1.00 0.00 C ATOM 737 C PHE A 48 5.849 -4.564 -5.680 1.00 0.00 C ATOM 738 O PHE A 48 6.197 -3.918 -4.691 1.00 0.00 O ATOM 739 CB PHE A 48 3.601 -3.686 -6.343 1.00 0.00 C ATOM 740 CG PHE A 48 3.042 -2.893 -5.197 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.811 -3.217 -4.649 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.747 -1.824 -4.668 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.293 -2.489 -3.594 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.234 -1.094 -3.612 1.00 0.00 C ATOM 745 CZ PHE A 48 2.006 -1.426 -3.075 1.00 0.00 C ATOM 0 H PHE A 48 4.065 -5.015 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 48 4.329 -5.679 -6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.255 -3.044 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.783 -3.994 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.250 -4.048 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.707 -1.558 -5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.332 -2.751 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.794 -0.264 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.604 -0.856 -2.251 1.00 0.00 H new ATOM 755 N THR A 49 6.705 -4.986 -6.605 1.00 0.00 N ATOM 756 CA THR A 49 8.132 -4.709 -6.509 1.00 0.00 C ATOM 757 C THR A 49 8.391 -3.221 -6.304 1.00 0.00 C ATOM 758 O THR A 49 7.484 -2.400 -6.433 1.00 0.00 O ATOM 759 CB THR A 49 8.882 -5.180 -7.770 1.00 0.00 C ATOM 760 OG1 THR A 49 8.194 -4.734 -8.944 1.00 0.00 O ATOM 761 CG2 THR A 49 9.004 -6.696 -7.792 1.00 0.00 C ATOM 0 H THR A 49 6.434 -5.521 -7.430 1.00 0.00 H new ATOM 0 HA THR A 49 8.504 -5.262 -5.646 1.00 0.00 H new ATOM 0 HB THR A 49 9.884 -4.751 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.678 -5.036 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.537 -7.005 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.554 -7.030 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.009 -7.141 -7.789 1.00 0.00 H new ATOM 769 N GLY A 50 9.635 -2.880 -5.983 1.00 0.00 N ATOM 770 CA GLY A 50 9.991 -1.490 -5.765 1.00 0.00 C ATOM 771 C GLY A 50 9.913 -0.666 -7.035 1.00 0.00 C ATOM 772 O GLY A 50 9.207 0.340 -7.088 1.00 0.00 O ATOM 0 H GLY A 50 10.403 -3.542 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.326 -1.061 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.002 -1.436 -5.362 1.00 0.00 H new ATOM 776 N ASN A 51 10.642 -1.092 -8.061 1.00 0.00 N ATOM 777 CA ASN A 51 10.654 -0.385 -9.337 1.00 0.00 C ATOM 778 C ASN A 51 9.237 -0.016 -9.768 1.00 0.00 C ATOM 779 O ASN A 51 8.948 1.146 -10.056 1.00 0.00 O ATOM 780 CB ASN A 51 11.319 -1.245 -10.414 1.00 0.00 C ATOM 781 CG ASN A 51 10.964 -0.790 -11.817 1.00 0.00 C ATOM 782 OD1 ASN A 51 11.545 0.163 -12.338 1.00 0.00 O ATOM 783 ND2 ASN A 51 10.007 -1.471 -12.435 1.00 0.00 N ATOM 0 H ASN A 51 11.232 -1.923 -8.034 1.00 0.00 H new ATOM 0 HA ASN A 51 11.227 0.534 -9.210 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.401 -1.210 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.016 -2.284 -10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.726 -1.211 -13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.553 -2.254 -11.965 1.00 0.00 H new ATOM 790 N CYS A 52 8.359 -1.012 -9.809 1.00 0.00 N ATOM 791 CA CYS A 52 6.973 -0.793 -10.204 1.00 0.00 C ATOM 792 C CYS A 52 6.431 0.496 -9.595 1.00 0.00 C ATOM 793 O CYS A 52 5.863 1.335 -10.294 1.00 0.00 O ATOM 794 CB CYS A 52 6.105 -1.978 -9.777 1.00 0.00 C ATOM 795 SG CYS A 52 6.115 -3.359 -10.944 1.00 0.00 S ATOM 0 H CYS A 52 8.583 -1.979 -9.573 1.00 0.00 H new ATOM 0 HA CYS A 52 6.941 -0.702 -11.290 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.448 -2.335 -8.806 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.079 -1.634 -9.646 1.00 0.00 H new ATOM 0 HG CYS A 52 6.903 -4.294 -10.503 1.00 0.00 H new ATOM 801 N VAL A 53 6.607 0.645 -8.286 1.00 0.00 N ATOM 802 CA VAL A 53 6.136 1.831 -7.582 1.00 0.00 C ATOM 803 C VAL A 53 6.664 3.104 -8.233 1.00 0.00 C ATOM 804 O VAL A 53 5.927 3.817 -8.914 1.00 0.00 O ATOM 805 CB VAL A 53 6.560 1.811 -6.101 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.106 3.081 -5.398 1.00 0.00 C ATOM 807 CG2 VAL A 53 6.005 0.578 -5.405 1.00 0.00 C ATOM 0 H VAL A 53 7.072 -0.041 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 53 5.048 1.821 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 53 7.648 1.768 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.414 3.049 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.557 3.947 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.020 3.159 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.314 0.580 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.917 0.587 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.386 -0.318 -5.894 1.00 0.00 H new ATOM 817 N ILE A 54 7.946 3.383 -8.020 1.00 0.00 N ATOM 818 CA ILE A 54 8.574 4.570 -8.588 1.00 0.00 C ATOM 819 C ILE A 54 8.012 4.880 -9.971 1.00 0.00 C ATOM 820 O ILE A 54 7.461 5.957 -10.201 1.00 0.00 O ATOM 821 CB ILE A 54 10.101 4.403 -8.693 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.678 3.935 -7.355 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.748 5.710 -9.126 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.270 4.802 -6.184 1.00 0.00 C ATOM 0 H ILE A 54 8.570 2.803 -7.458 1.00 0.00 H new ATOM 0 HA ILE A 54 8.353 5.398 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 54 10.318 3.645 -9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.356 2.911 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.766 3.919 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.827 5.576 -9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.355 6.005 -10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.525 6.486 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.715 4.411 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.616 5.822 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.184 4.798 -6.089 1.00 0.00 H new ATOM 836 N ASP A 55 8.153 3.929 -10.888 1.00 0.00 N ATOM 837 CA ASP A 55 7.656 4.099 -12.249 1.00 0.00 C ATOM 838 C ASP A 55 6.213 4.594 -12.243 1.00 0.00 C ATOM 839 O ASP A 55 5.905 5.647 -12.801 1.00 0.00 O ATOM 840 CB ASP A 55 7.754 2.781 -13.018 1.00 0.00 C ATOM 841 CG ASP A 55 7.524 2.961 -14.506 1.00 0.00 C ATOM 842 OD1 ASP A 55 6.590 3.702 -14.877 1.00 0.00 O ATOM 843 OD2 ASP A 55 8.279 2.362 -15.299 1.00 0.00 O ATOM 0 H ASP A 55 8.607 3.032 -10.714 1.00 0.00 H new ATOM 0 HA ASP A 55 8.275 4.847 -12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.738 2.341 -12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.021 2.077 -12.622 1.00 0.00 H new ATOM 848 N TRP A 56 5.333 3.826 -11.610 1.00 0.00 N ATOM 849 CA TRP A 56 3.922 4.186 -11.533 1.00 0.00 C ATOM 850 C TRP A 56 3.752 5.692 -11.367 1.00 0.00 C ATOM 851 O TRP A 56 2.899 6.305 -12.010 1.00 0.00 O ATOM 852 CB TRP A 56 3.250 3.453 -10.371 1.00 0.00 C ATOM 853 CG TRP A 56 1.779 3.722 -10.269 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.767 2.927 -10.726 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.157 4.866 -9.674 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.447 3.508 -10.451 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.236 4.698 -9.806 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.639 6.015 -9.042 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.147 5.636 -9.329 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.734 6.946 -8.570 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.647 6.752 -8.715 1.00 0.00 C ATOM 0 H TRP A 56 5.572 2.951 -11.143 1.00 0.00 H new ATOM 0 HA TRP A 56 3.445 3.887 -12.466 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.409 2.381 -10.487 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.731 3.747 -9.438 1.00 0.00 H new ATOM 0 HD1 TRP A 56 0.901 1.981 -11.229 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.358 3.117 -10.689 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.701 6.173 -8.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.211 5.488 -9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.096 7.838 -8.081 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.329 7.498 -8.335 1.00 0.00 H new ATOM 872 N LEU A 57 4.569 6.283 -10.502 1.00 0.00 N ATOM 873 CA LEU A 57 4.509 7.719 -10.252 1.00 0.00 C ATOM 874 C LEU A 57 4.944 8.505 -11.485 1.00 0.00 C ATOM 875 O LEU A 57 4.346 9.525 -11.827 1.00 0.00 O ATOM 876 CB LEU A 57 5.395 8.086 -9.060 1.00 0.00 C ATOM 877 CG LEU A 57 4.865 7.689 -7.682 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.012 7.506 -6.701 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.881 8.730 -7.168 1.00 0.00 C ATOM 0 H LEU A 57 5.281 5.790 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 57 3.476 7.981 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.370 7.619 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.554 9.164 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 57 4.340 6.738 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.615 7.224 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.678 6.723 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.566 8.440 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.514 8.431 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.381 9.696 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.042 8.811 -7.859 1.00 0.00 H new ATOM 891 N VAL A 58 5.989 8.022 -12.150 1.00 0.00 N ATOM 892 CA VAL A 58 6.502 8.677 -13.347 1.00 0.00 C ATOM 893 C VAL A 58 5.491 8.611 -14.486 1.00 0.00 C ATOM 894 O VAL A 58 5.096 9.637 -15.040 1.00 0.00 O ATOM 895 CB VAL A 58 7.826 8.041 -13.812 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.424 8.833 -14.964 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.806 7.946 -12.653 1.00 0.00 C ATOM 0 H VAL A 58 6.497 7.180 -11.880 1.00 0.00 H new ATOM 0 HA VAL A 58 6.681 9.720 -13.085 1.00 0.00 H new ATOM 0 HB VAL A 58 7.619 7.031 -14.167 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.359 8.368 -15.279 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.725 8.844 -15.800 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.618 9.856 -14.640 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.736 7.494 -12.999 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.009 8.944 -12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.376 7.331 -11.862 1.00 0.00 H new ATOM 907 N SER A 59 5.076 7.396 -14.832 1.00 0.00 N ATOM 908 CA SER A 59 4.113 7.195 -15.908 1.00 0.00 C ATOM 909 C SER A 59 2.826 7.967 -15.636 1.00 0.00 C ATOM 910 O SER A 59 2.138 8.394 -16.563 1.00 0.00 O ATOM 911 CB SER A 59 3.803 5.706 -16.072 1.00 0.00 C ATOM 912 OG SER A 59 3.178 5.449 -17.317 1.00 0.00 O ATOM 0 H SER A 59 5.392 6.537 -14.383 1.00 0.00 H new ATOM 0 HA SER A 59 4.553 7.571 -16.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.725 5.129 -15.999 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.154 5.375 -15.261 1.00 0.00 H new ATOM 0 HG SER A 59 2.992 4.490 -17.398 1.00 0.00 H new ATOM 918 N ASN A 60 2.507 8.143 -14.358 1.00 0.00 N ATOM 919 CA ASN A 60 1.302 8.863 -13.963 1.00 0.00 C ATOM 920 C ASN A 60 1.525 10.371 -14.023 1.00 0.00 C ATOM 921 O ASN A 60 0.669 11.151 -13.608 1.00 0.00 O ATOM 922 CB ASN A 60 0.879 8.455 -12.550 1.00 0.00 C ATOM 923 CG ASN A 60 -0.069 7.271 -12.549 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.215 7.380 -12.113 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.407 6.132 -13.039 1.00 0.00 N ATOM 0 H ASN A 60 3.066 7.797 -13.578 1.00 0.00 H new ATOM 0 HA ASN A 60 0.508 8.603 -14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.765 8.208 -11.966 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.399 9.301 -12.059 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.184 5.301 -13.065 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.364 6.088 -13.390 1.00 0.00 H new ATOM 932 N GLN A 61 2.680 10.772 -14.544 1.00 0.00 N ATOM 933 CA GLN A 61 3.015 12.187 -14.659 1.00 0.00 C ATOM 934 C GLN A 61 3.034 12.855 -13.288 1.00 0.00 C ATOM 935 O GLN A 61 2.688 14.029 -13.154 1.00 0.00 O ATOM 936 CB GLN A 61 2.015 12.897 -15.572 1.00 0.00 C ATOM 937 CG GLN A 61 1.826 12.213 -16.916 1.00 0.00 C ATOM 938 CD GLN A 61 0.575 12.677 -17.637 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.497 12.091 -17.485 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.706 13.736 -18.427 1.00 0.00 N ATOM 0 H GLN A 61 3.399 10.138 -14.893 1.00 0.00 H new ATOM 0 HA GLN A 61 4.011 12.264 -15.094 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.052 12.956 -15.065 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.351 13.920 -15.739 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.696 12.407 -17.544 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.776 11.134 -16.766 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.614 14.191 -18.524 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.101 14.095 -18.937 1.00 0.00 H new ATOM 949 N SER A 62 3.439 12.099 -12.272 1.00 0.00 N ATOM 950 CA SER A 62 3.499 12.617 -10.910 1.00 0.00 C ATOM 951 C SER A 62 4.878 13.197 -10.609 1.00 0.00 C ATOM 952 O SER A 62 5.031 14.036 -9.721 1.00 0.00 O ATOM 953 CB SER A 62 3.168 11.511 -9.907 1.00 0.00 C ATOM 954 OG SER A 62 1.869 10.991 -10.131 1.00 0.00 O ATOM 0 H SER A 62 3.730 11.126 -12.366 1.00 0.00 H new ATOM 0 HA SER A 62 2.761 13.414 -10.818 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.903 10.710 -9.989 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.236 11.904 -8.892 1.00 0.00 H new ATOM 0 HG SER A 62 1.682 10.284 -9.478 1.00 0.00 H new ATOM 960 N VAL A 63 5.879 12.743 -11.356 1.00 0.00 N ATOM 961 CA VAL A 63 7.246 13.216 -11.171 1.00 0.00 C ATOM 962 C VAL A 63 7.953 13.391 -12.510 1.00 0.00 C ATOM 963 O VAL A 63 7.368 13.155 -13.567 1.00 0.00 O ATOM 964 CB VAL A 63 8.062 12.246 -10.295 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.738 12.453 -8.824 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.800 10.806 -10.710 1.00 0.00 C ATOM 0 H VAL A 63 5.769 12.048 -12.095 1.00 0.00 H new ATOM 0 HA VAL A 63 7.182 14.181 -10.669 1.00 0.00 H new ATOM 0 HB VAL A 63 9.122 12.455 -10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.324 11.759 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.981 13.476 -8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.676 12.272 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.384 10.134 -10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.740 10.581 -10.594 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.088 10.670 -11.752 1.00 0.00 H new ATOM 976 N ARG A 64 9.214 13.807 -12.457 1.00 0.00 N ATOM 977 CA ARG A 64 10.001 14.015 -13.667 1.00 0.00 C ATOM 978 C ARG A 64 10.784 12.757 -14.029 1.00 0.00 C ATOM 979 O ARG A 64 10.940 12.428 -15.204 1.00 0.00 O ATOM 980 CB ARG A 64 10.962 15.191 -13.480 1.00 0.00 C ATOM 981 CG ARG A 64 10.268 16.492 -13.109 1.00 0.00 C ATOM 982 CD ARG A 64 11.113 17.700 -13.483 1.00 0.00 C ATOM 983 NE ARG A 64 10.394 18.954 -13.279 1.00 0.00 N ATOM 984 CZ ARG A 64 10.906 20.148 -13.557 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.133 20.249 -14.049 1.00 0.00 N ATOM 986 NH2 ARG A 64 10.190 21.245 -13.344 1.00 0.00 N ATOM 0 H ARG A 64 9.713 14.007 -11.590 1.00 0.00 H new ATOM 0 HA ARG A 64 9.314 14.242 -14.483 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.684 14.940 -12.703 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.525 15.339 -14.402 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.305 16.549 -13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.066 16.505 -12.038 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.025 17.704 -12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.416 17.621 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 64 9.447 18.911 -12.903 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.687 19.409 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.523 21.167 -14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.245 21.172 -12.966 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.584 22.161 -13.558 1.00 0.00 H new ATOM 1000 N ASN A 65 11.276 12.058 -13.011 1.00 0.00 N ATOM 1001 CA ASN A 65 12.044 10.837 -13.222 1.00 0.00 C ATOM 1002 C ASN A 65 11.921 9.903 -12.022 1.00 0.00 C ATOM 1003 O ASN A 65 11.181 10.181 -11.079 1.00 0.00 O ATOM 1004 CB ASN A 65 13.515 11.172 -13.473 1.00 0.00 C ATOM 1005 CG ASN A 65 14.315 11.262 -12.187 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.679 10.245 -11.597 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.591 12.484 -11.747 1.00 0.00 N ATOM 0 H ASN A 65 11.156 12.317 -12.032 1.00 0.00 H new ATOM 0 HA ASN A 65 11.639 10.330 -14.098 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.953 10.410 -14.118 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.583 12.120 -14.007 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.125 12.608 -10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.269 13.299 -12.269 1.00 0.00 H new ATOM 1014 N ARG A 66 12.651 8.793 -12.065 1.00 0.00 N ATOM 1015 CA ARG A 66 12.624 7.817 -10.983 1.00 0.00 C ATOM 1016 C ARG A 66 12.993 8.470 -9.653 1.00 0.00 C ATOM 1017 O ARG A 66 12.177 8.534 -8.735 1.00 0.00 O ATOM 1018 CB ARG A 66 13.584 6.665 -11.282 1.00 0.00 C ATOM 1019 CG ARG A 66 12.941 5.518 -12.044 1.00 0.00 C ATOM 1020 CD ARG A 66 12.851 5.820 -13.532 1.00 0.00 C ATOM 1021 NE ARG A 66 11.796 5.049 -14.184 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.639 4.985 -15.502 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.467 5.642 -16.303 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.655 4.263 -16.020 1.00 0.00 N ATOM 0 H ARG A 66 13.269 8.547 -12.839 1.00 0.00 H new ATOM 0 HA ARG A 66 11.610 7.424 -10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.427 7.046 -11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.986 6.286 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.520 4.608 -11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.943 5.331 -11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.664 6.884 -13.675 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.807 5.598 -14.005 1.00 0.00 H new ATOM 0 HE ARG A 66 11.144 4.531 -13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.226 6.197 -15.908 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.345 5.592 -17.314 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.017 3.756 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.536 4.215 -17.032 1.00 0.00 H new ATOM 1038 N GLN A 67 14.229 8.951 -9.560 1.00 0.00 N ATOM 1039 CA GLN A 67 14.706 9.597 -8.343 1.00 0.00 C ATOM 1040 C GLN A 67 13.637 10.513 -7.757 1.00 0.00 C ATOM 1041 O GLN A 67 13.389 10.503 -6.552 1.00 0.00 O ATOM 1042 CB GLN A 67 15.979 10.396 -8.629 1.00 0.00 C ATOM 1043 CG GLN A 67 17.254 9.582 -8.482 1.00 0.00 C ATOM 1044 CD GLN A 67 17.795 9.596 -7.066 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.644 10.419 -6.722 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.307 8.682 -6.236 1.00 0.00 N ATOM 0 H GLN A 67 14.917 8.906 -10.312 1.00 0.00 H new ATOM 0 HA GLN A 67 14.930 8.819 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.928 10.795 -9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.022 11.249 -7.952 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.060 8.552 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 67 18.012 9.975 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.604 8.019 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.635 8.643 -5.271 1.00 0.00 H new ATOM 1055 N GLU A 68 13.007 11.305 -8.620 1.00 0.00 N ATOM 1056 CA GLU A 68 11.965 12.229 -8.186 1.00 0.00 C ATOM 1057 C GLU A 68 10.859 11.490 -7.439 1.00 0.00 C ATOM 1058 O GLU A 68 10.328 11.985 -6.446 1.00 0.00 O ATOM 1059 CB GLU A 68 11.376 12.969 -9.390 1.00 0.00 C ATOM 1060 CG GLU A 68 12.258 14.095 -9.903 1.00 0.00 C ATOM 1061 CD GLU A 68 12.819 14.953 -8.785 1.00 0.00 C ATOM 1062 OE1 GLU A 68 12.142 15.923 -8.386 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.934 14.654 -8.310 1.00 0.00 O ATOM 0 H GLU A 68 13.200 11.325 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 68 12.416 12.953 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.206 12.256 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.403 13.377 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.081 13.673 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.681 14.722 -10.583 1.00 0.00 H new ATOM 1070 N GLY A 69 10.517 10.301 -7.925 1.00 0.00 N ATOM 1071 CA GLY A 69 9.476 9.512 -7.292 1.00 0.00 C ATOM 1072 C GLY A 69 9.946 8.852 -6.011 1.00 0.00 C ATOM 1073 O GLY A 69 9.135 8.397 -5.204 1.00 0.00 O ATOM 0 H GLY A 69 10.942 9.870 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.621 10.152 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.132 8.746 -7.987 1.00 0.00 H new ATOM 1077 N LEU A 70 11.260 8.799 -5.823 1.00 0.00 N ATOM 1078 CA LEU A 70 11.838 8.188 -4.631 1.00 0.00 C ATOM 1079 C LEU A 70 11.300 8.847 -3.366 1.00 0.00 C ATOM 1080 O LEU A 70 10.948 8.168 -2.402 1.00 0.00 O ATOM 1081 CB LEU A 70 13.364 8.297 -4.667 1.00 0.00 C ATOM 1082 CG LEU A 70 14.134 7.164 -3.987 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.430 6.731 -2.711 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.295 5.985 -4.936 1.00 0.00 C ATOM 0 H LEU A 70 11.945 9.172 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 70 11.555 7.135 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.680 8.350 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.652 9.238 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 70 15.126 7.531 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.992 5.924 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.367 7.576 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.426 6.382 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.845 5.188 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.312 5.618 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.844 6.304 -5.822 1.00 0.00 H new ATOM 1096 N MET A 71 11.237 10.175 -3.377 1.00 0.00 N ATOM 1097 CA MET A 71 10.737 10.925 -2.231 1.00 0.00 C ATOM 1098 C MET A 71 9.274 10.593 -1.959 1.00 0.00 C ATOM 1099 O MET A 71 8.912 10.209 -0.846 1.00 0.00 O ATOM 1100 CB MET A 71 10.894 12.428 -2.471 1.00 0.00 C ATOM 1101 CG MET A 71 12.294 12.831 -2.907 1.00 0.00 C ATOM 1102 SD MET A 71 12.648 14.569 -2.587 1.00 0.00 S ATOM 1103 CE MET A 71 11.511 15.362 -3.722 1.00 0.00 C ATOM 0 H MET A 71 11.526 10.753 -4.166 1.00 0.00 H new ATOM 0 HA MET A 71 11.324 10.639 -1.358 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.180 12.742 -3.233 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.639 12.962 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.025 12.213 -2.385 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.410 12.631 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.624 16.444 -3.654 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.728 15.038 -4.740 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.488 15.087 -3.464 1.00 0.00 H new ATOM 1113 N ILE A 72 8.438 10.742 -2.981 1.00 0.00 N ATOM 1114 CA ILE A 72 7.014 10.457 -2.850 1.00 0.00 C ATOM 1115 C ILE A 72 6.781 9.021 -2.392 1.00 0.00 C ATOM 1116 O ILE A 72 5.948 8.763 -1.525 1.00 0.00 O ATOM 1117 CB ILE A 72 6.270 10.687 -4.179 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.425 12.140 -4.630 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.799 10.326 -4.032 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.752 13.134 -3.709 1.00 0.00 C ATOM 0 H ILE A 72 8.722 11.058 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 72 6.622 11.143 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 72 6.708 10.041 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.486 12.380 -4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.010 12.247 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.287 10.494 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.708 9.277 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.347 10.949 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.903 14.144 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.684 12.920 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.183 13.055 -2.711 1.00 0.00 H new ATOM 1132 N ALA A 73 7.525 8.090 -2.981 1.00 0.00 N ATOM 1133 CA ALA A 73 7.403 6.680 -2.630 1.00 0.00 C ATOM 1134 C ALA A 73 7.833 6.433 -1.188 1.00 0.00 C ATOM 1135 O ALA A 73 7.127 5.778 -0.423 1.00 0.00 O ATOM 1136 CB ALA A 73 8.227 5.826 -3.583 1.00 0.00 C ATOM 0 H ALA A 73 8.218 8.287 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 73 6.354 6.398 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.127 4.776 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.870 5.971 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.275 6.119 -3.520 1.00 0.00 H new ATOM 1142 N SER A 74 8.998 6.962 -0.825 1.00 0.00 N ATOM 1143 CA SER A 74 9.524 6.795 0.525 1.00 0.00 C ATOM 1144 C SER A 74 8.520 7.284 1.564 1.00 0.00 C ATOM 1145 O SER A 74 8.215 6.581 2.528 1.00 0.00 O ATOM 1146 CB SER A 74 10.844 7.554 0.677 1.00 0.00 C ATOM 1147 OG SER A 74 10.789 8.810 0.023 1.00 0.00 O ATOM 0 H SER A 74 9.594 7.509 -1.446 1.00 0.00 H new ATOM 0 HA SER A 74 9.702 5.733 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.063 7.701 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.658 6.960 0.262 1.00 0.00 H new ATOM 0 HG SER A 74 11.185 8.731 -0.870 1.00 0.00 H new ATOM 1153 N SER A 75 8.010 8.495 1.362 1.00 0.00 N ATOM 1154 CA SER A 75 7.044 9.081 2.283 1.00 0.00 C ATOM 1155 C SER A 75 5.838 8.163 2.461 1.00 0.00 C ATOM 1156 O SER A 75 5.488 7.789 3.581 1.00 0.00 O ATOM 1157 CB SER A 75 6.587 10.449 1.773 1.00 0.00 C ATOM 1158 OG SER A 75 6.578 10.489 0.356 1.00 0.00 O ATOM 0 H SER A 75 8.250 9.089 0.568 1.00 0.00 H new ATOM 0 HA SER A 75 7.530 9.206 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.589 10.667 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.250 11.224 2.157 1.00 0.00 H new ATOM 0 HG SER A 75 6.274 9.626 0.006 1.00 0.00 H new ATOM 1164 N LEU A 76 5.206 7.804 1.349 1.00 0.00 N ATOM 1165 CA LEU A 76 4.038 6.930 1.380 1.00 0.00 C ATOM 1166 C LEU A 76 4.251 5.772 2.350 1.00 0.00 C ATOM 1167 O LEU A 76 3.317 5.329 3.020 1.00 0.00 O ATOM 1168 CB LEU A 76 3.743 6.390 -0.020 1.00 0.00 C ATOM 1169 CG LEU A 76 2.993 7.335 -0.959 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.241 6.953 -2.410 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.503 7.323 -0.650 1.00 0.00 C ATOM 0 H LEU A 76 5.483 8.105 0.414 1.00 0.00 H new ATOM 0 HA LEU A 76 3.185 7.516 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.688 6.118 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.162 5.473 0.081 1.00 0.00 H new ATOM 0 HG LEU A 76 3.368 8.346 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.699 7.636 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.308 7.014 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.894 5.934 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.985 8.001 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.113 6.313 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.342 7.646 0.379 1.00 0.00 H new ATOM 1183 N LEU A 77 5.486 5.287 2.422 1.00 0.00 N ATOM 1184 CA LEU A 77 5.823 4.181 3.312 1.00 0.00 C ATOM 1185 C LEU A 77 6.003 4.671 4.745 1.00 0.00 C ATOM 1186 O LEU A 77 5.607 3.998 5.696 1.00 0.00 O ATOM 1187 CB LEU A 77 7.099 3.487 2.834 1.00 0.00 C ATOM 1188 CG LEU A 77 7.231 2.006 3.190 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.473 1.410 2.545 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.273 1.822 4.700 1.00 0.00 C ATOM 0 H LEU A 77 6.270 5.642 1.875 1.00 0.00 H new ATOM 0 HA LEU A 77 5.000 3.467 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.158 3.586 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.955 4.018 3.250 1.00 0.00 H new ATOM 0 HG LEU A 77 6.358 1.481 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.550 0.355 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.403 1.508 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.357 1.939 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.367 0.762 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.127 2.361 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.354 2.211 5.140 1.00 0.00 H new ATOM 1202 N ASN A 78 6.601 5.849 4.891 1.00 0.00 N ATOM 1203 CA ASN A 78 6.832 6.430 6.209 1.00 0.00 C ATOM 1204 C ASN A 78 5.515 6.639 6.950 1.00 0.00 C ATOM 1205 O ASN A 78 5.413 6.361 8.144 1.00 0.00 O ATOM 1206 CB ASN A 78 7.574 7.762 6.079 1.00 0.00 C ATOM 1207 CG ASN A 78 9.080 7.593 6.136 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.587 6.648 6.739 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.802 8.513 5.506 1.00 0.00 N ATOM 0 H ASN A 78 6.934 6.420 4.114 1.00 0.00 H new ATOM 0 HA ASN A 78 7.445 5.735 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.300 8.237 5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.256 8.432 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.820 8.453 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.338 9.280 5.019 1.00 0.00 H new ATOM 1216 N GLU A 79 4.509 7.130 6.231 1.00 0.00 N ATOM 1217 CA GLU A 79 3.199 7.376 6.822 1.00 0.00 C ATOM 1218 C GLU A 79 2.475 6.063 7.105 1.00 0.00 C ATOM 1219 O GLU A 79 1.794 5.923 8.120 1.00 0.00 O ATOM 1220 CB GLU A 79 2.352 8.248 5.892 1.00 0.00 C ATOM 1221 CG GLU A 79 2.807 9.697 5.836 1.00 0.00 C ATOM 1222 CD GLU A 79 2.530 10.446 7.125 1.00 0.00 C ATOM 1223 OE1 GLU A 79 3.207 10.161 8.134 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.635 11.317 7.123 1.00 0.00 O ATOM 0 H GLU A 79 4.577 7.365 5.241 1.00 0.00 H new ATOM 0 HA GLU A 79 3.347 7.900 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.381 7.828 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.314 8.214 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.876 9.730 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.302 10.201 5.012 1.00 0.00 H new ATOM 1231 N GLY A 80 2.627 5.102 6.198 1.00 0.00 N ATOM 1232 CA GLY A 80 1.981 3.813 6.367 1.00 0.00 C ATOM 1233 C GLY A 80 1.280 3.346 5.107 1.00 0.00 C ATOM 1234 O GLY A 80 0.982 2.161 4.958 1.00 0.00 O ATOM 0 H GLY A 80 3.186 5.193 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.725 3.073 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.257 3.877 7.179 1.00 0.00 H new ATOM 1238 N TYR A 81 1.014 4.279 4.200 1.00 0.00 N ATOM 1239 CA TYR A 81 0.339 3.957 2.948 1.00 0.00 C ATOM 1240 C TYR A 81 0.956 2.723 2.298 1.00 0.00 C ATOM 1241 O TYR A 81 0.288 1.993 1.564 1.00 0.00 O ATOM 1242 CB TYR A 81 0.412 5.144 1.986 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.375 6.349 2.450 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.731 6.249 2.738 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.237 7.587 2.600 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.454 7.348 3.161 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.477 8.691 3.024 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.822 8.566 3.303 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.538 9.663 3.725 1.00 0.00 O ATOM 0 H TYR A 81 1.255 5.264 4.308 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.706 3.743 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.455 5.431 1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.041 4.833 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.228 5.296 2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.290 7.688 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.508 7.254 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.015 9.646 3.136 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.945 10.442 3.774 1.00 0.00 H new ATOM 1259 N LEU A 82 2.235 2.494 2.575 1.00 0.00 N ATOM 1260 CA LEU A 82 2.944 1.347 2.019 1.00 0.00 C ATOM 1261 C LEU A 82 3.673 0.574 3.113 1.00 0.00 C ATOM 1262 O LEU A 82 4.231 1.166 4.037 1.00 0.00 O ATOM 1263 CB LEU A 82 3.941 1.806 0.953 1.00 0.00 C ATOM 1264 CG LEU A 82 3.336 2.343 -0.345 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.287 3.325 -1.011 1.00 0.00 C ATOM 1266 CD2 LEU A 82 3.000 1.199 -1.290 1.00 0.00 C ATOM 0 H LEU A 82 2.802 3.087 3.181 1.00 0.00 H new ATOM 0 HA LEU A 82 2.209 0.685 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.572 2.583 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.592 0.967 0.707 1.00 0.00 H new ATOM 0 HG LEU A 82 2.413 2.870 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.840 3.696 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.477 4.161 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.227 2.823 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.571 1.600 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.908 0.644 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.281 0.533 -0.814 1.00 0.00 H new ATOM 1278 N GLN A 83 3.666 -0.750 3.001 1.00 0.00 N ATOM 1279 CA GLN A 83 4.327 -1.603 3.981 1.00 0.00 C ATOM 1280 C GLN A 83 5.332 -2.531 3.305 1.00 0.00 C ATOM 1281 O GLN A 83 5.092 -3.060 2.219 1.00 0.00 O ATOM 1282 CB GLN A 83 3.294 -2.426 4.753 1.00 0.00 C ATOM 1283 CG GLN A 83 2.268 -1.579 5.488 1.00 0.00 C ATOM 1284 CD GLN A 83 2.864 -0.830 6.664 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.235 -1.430 7.673 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.959 0.489 6.539 1.00 0.00 N ATOM 0 H GLN A 83 3.210 -1.255 2.241 1.00 0.00 H new ATOM 0 HA GLN A 83 4.864 -0.961 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.776 -3.088 4.059 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.811 -3.061 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.827 -0.865 4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.460 -2.219 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.639 0.945 5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.352 1.046 7.298 1.00 0.00 H new ATOM 1295 N PRO A 84 6.484 -2.735 3.961 1.00 0.00 N ATOM 1296 CA PRO A 84 7.548 -3.600 3.442 1.00 0.00 C ATOM 1297 C PRO A 84 7.160 -5.074 3.466 1.00 0.00 C ATOM 1298 O PRO A 84 6.522 -5.543 4.408 1.00 0.00 O ATOM 1299 CB PRO A 84 8.715 -3.338 4.397 1.00 0.00 C ATOM 1300 CG PRO A 84 8.074 -2.890 5.664 1.00 0.00 C ATOM 1301 CD PRO A 84 6.837 -2.137 5.260 1.00 0.00 C ATOM 0 HA PRO A 84 7.777 -3.384 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.310 -4.238 4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.386 -2.576 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.823 -3.742 6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.748 -2.254 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.036 -2.258 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.028 -1.068 5.172 1.00 0.00 H new ATOM 1309 N ALA A 85 7.549 -5.801 2.423 1.00 0.00 N ATOM 1310 CA ALA A 85 7.244 -7.223 2.327 1.00 0.00 C ATOM 1311 C ALA A 85 8.504 -8.037 2.053 1.00 0.00 C ATOM 1312 O ALA A 85 8.513 -8.913 1.188 1.00 0.00 O ATOM 1313 CB ALA A 85 6.208 -7.468 1.239 1.00 0.00 C ATOM 0 H ALA A 85 8.076 -5.428 1.633 1.00 0.00 H new ATOM 0 HA ALA A 85 6.834 -7.547 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.990 -8.534 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.294 -6.923 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.597 -7.122 0.281 1.00 0.00 H new ATOM 1319 N GLY A 86 9.567 -7.742 2.794 1.00 0.00 N ATOM 1320 CA GLY A 86 10.818 -8.456 2.615 1.00 0.00 C ATOM 1321 C GLY A 86 11.933 -7.896 3.475 1.00 0.00 C ATOM 1322 O GLY A 86 12.069 -6.680 3.614 1.00 0.00 O ATOM 0 H GLY A 86 9.585 -7.021 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.670 -9.508 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.113 -8.409 1.567 1.00 0.00 H new ATOM 1326 N ASP A 87 12.733 -8.783 4.056 1.00 0.00 N ATOM 1327 CA ASP A 87 13.842 -8.371 4.908 1.00 0.00 C ATOM 1328 C ASP A 87 14.582 -7.183 4.300 1.00 0.00 C ATOM 1329 O ASP A 87 14.858 -6.197 4.983 1.00 0.00 O ATOM 1330 CB ASP A 87 14.810 -9.536 5.120 1.00 0.00 C ATOM 1331 CG ASP A 87 15.124 -10.271 3.832 1.00 0.00 C ATOM 1332 OD1 ASP A 87 14.192 -10.857 3.242 1.00 0.00 O ATOM 1333 OD2 ASP A 87 16.301 -10.261 3.414 1.00 0.00 O ATOM 0 H ASP A 87 12.634 -9.793 3.952 1.00 0.00 H new ATOM 0 HA ASP A 87 13.434 -8.067 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.736 -9.160 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.381 -10.235 5.838 1.00 0.00 H new ATOM 1338 N MET A 88 14.900 -7.286 3.014 1.00 0.00 N ATOM 1339 CA MET A 88 15.608 -6.219 2.315 1.00 0.00 C ATOM 1340 C MET A 88 15.076 -4.851 2.731 1.00 0.00 C ATOM 1341 O MET A 88 15.824 -4.009 3.228 1.00 0.00 O ATOM 1342 CB MET A 88 15.471 -6.394 0.801 1.00 0.00 C ATOM 1343 CG MET A 88 16.377 -5.474 -0.001 1.00 0.00 C ATOM 1344 SD MET A 88 15.718 -5.107 -1.639 1.00 0.00 S ATOM 1345 CE MET A 88 17.220 -5.106 -2.615 1.00 0.00 C ATOM 0 H MET A 88 14.679 -8.096 2.435 1.00 0.00 H new ATOM 0 HA MET A 88 16.662 -6.277 2.586 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.696 -7.429 0.541 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.435 -6.211 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 88 16.519 -4.542 0.547 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.359 -5.936 -0.104 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.026 -4.640 -3.581 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.994 -4.546 -2.091 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.555 -6.132 -2.768 1.00 0.00 H new ATOM 1355 N SER A 89 13.781 -4.636 2.523 1.00 0.00 N ATOM 1356 CA SER A 89 13.151 -3.368 2.872 1.00 0.00 C ATOM 1357 C SER A 89 13.067 -3.202 4.387 1.00 0.00 C ATOM 1358 O SER A 89 13.478 -2.179 4.935 1.00 0.00 O ATOM 1359 CB SER A 89 11.751 -3.284 2.261 1.00 0.00 C ATOM 1360 OG SER A 89 11.797 -3.469 0.856 1.00 0.00 O ATOM 0 H SER A 89 13.148 -5.323 2.115 1.00 0.00 H new ATOM 0 HA SER A 89 13.765 -2.563 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.108 -4.041 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.308 -2.314 2.489 1.00 0.00 H new ATOM 0 HG SER A 89 11.417 -2.683 0.410 1.00 0.00 H new ATOM 1366 N LYS A 90 12.533 -4.217 5.058 1.00 0.00 N ATOM 1367 CA LYS A 90 12.395 -4.186 6.509 1.00 0.00 C ATOM 1368 C LYS A 90 13.642 -3.598 7.162 1.00 0.00 C ATOM 1369 O LYS A 90 13.575 -3.037 8.256 1.00 0.00 O ATOM 1370 CB LYS A 90 12.141 -5.596 7.047 1.00 0.00 C ATOM 1371 CG LYS A 90 10.700 -6.052 6.904 1.00 0.00 C ATOM 1372 CD LYS A 90 10.600 -7.565 6.810 1.00 0.00 C ATOM 1373 CE LYS A 90 9.153 -8.024 6.716 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.984 -9.427 7.184 1.00 0.00 N ATOM 0 H LYS A 90 12.189 -5.071 4.620 1.00 0.00 H new ATOM 0 HA LYS A 90 11.544 -3.551 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.789 -6.298 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.421 -5.630 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.120 -5.701 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.262 -5.602 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.151 -7.913 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.070 -8.017 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.523 -7.364 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.813 -7.942 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.984 -9.702 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.565 -10.061 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.285 -9.500 8.177 1.00 0.00 H new ATOM 1388 N SER A 91 14.777 -3.729 6.483 1.00 0.00 N ATOM 1389 CA SER A 91 16.040 -3.212 6.999 1.00 0.00 C ATOM 1390 C SER A 91 16.151 -1.710 6.758 1.00 0.00 C ATOM 1391 O SER A 91 16.613 -0.964 7.621 1.00 0.00 O ATOM 1392 CB SER A 91 17.217 -3.934 6.341 1.00 0.00 C ATOM 1393 OG SER A 91 18.450 -3.512 6.899 1.00 0.00 O ATOM 0 H SER A 91 14.848 -4.188 5.575 1.00 0.00 H new ATOM 0 HA SER A 91 16.067 -3.393 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.105 -5.011 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.214 -3.739 5.269 1.00 0.00 H new ATOM 0 HG SER A 91 19.187 -3.989 6.463 1.00 0.00 H new ATOM 1399 N ALA A 92 15.723 -1.273 5.578 1.00 0.00 N ATOM 1400 CA ALA A 92 15.772 0.139 5.222 1.00 0.00 C ATOM 1401 C ALA A 92 14.801 0.953 6.071 1.00 0.00 C ATOM 1402 O ALA A 92 15.175 1.968 6.659 1.00 0.00 O ATOM 1403 CB ALA A 92 15.465 0.323 3.743 1.00 0.00 C ATOM 0 H ALA A 92 15.338 -1.878 4.852 1.00 0.00 H new ATOM 0 HA ALA A 92 16.780 0.503 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.505 1.383 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.201 -0.219 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.469 -0.063 3.527 1.00 0.00 H new ATOM 1409 N VAL A 93 13.553 0.501 6.131 1.00 0.00 N ATOM 1410 CA VAL A 93 12.528 1.187 6.909 1.00 0.00 C ATOM 1411 C VAL A 93 12.895 1.226 8.388 1.00 0.00 C ATOM 1412 O VAL A 93 12.457 2.111 9.124 1.00 0.00 O ATOM 1413 CB VAL A 93 11.154 0.509 6.750 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.709 0.539 5.296 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.203 -0.920 7.271 1.00 0.00 C ATOM 0 H VAL A 93 13.227 -0.337 5.650 1.00 0.00 H new ATOM 0 HA VAL A 93 12.469 2.205 6.525 1.00 0.00 H new ATOM 0 HB VAL A 93 10.424 1.063 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.736 0.056 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.634 1.573 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.437 0.010 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.224 -1.385 7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.945 -1.487 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.475 -0.913 8.327 1.00 0.00 H new ATOM 1425 N ASP A 94 13.702 0.262 8.817 1.00 0.00 N ATOM 1426 CA ASP A 94 14.130 0.187 10.209 1.00 0.00 C ATOM 1427 C ASP A 94 14.347 1.582 10.787 1.00 0.00 C ATOM 1428 O ASP A 94 13.614 2.019 11.673 1.00 0.00 O ATOM 1429 CB ASP A 94 15.416 -0.633 10.326 1.00 0.00 C ATOM 1430 CG ASP A 94 15.927 -0.707 11.751 1.00 0.00 C ATOM 1431 OD1 ASP A 94 15.113 -0.970 12.662 1.00 0.00 O ATOM 1432 OD2 ASP A 94 17.142 -0.504 11.956 1.00 0.00 O ATOM 0 H ASP A 94 14.073 -0.478 8.221 1.00 0.00 H new ATOM 0 HA ASP A 94 13.342 -0.304 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.235 -1.642 9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.184 -0.192 9.690 1.00 0.00 H new ATOM 1483 N ASN A 99 16.344 7.206 3.364 1.00 0.00 N ATOM 1484 CA ASN A 99 15.087 6.865 2.708 1.00 0.00 C ATOM 1485 C ASN A 99 14.737 5.397 2.934 1.00 0.00 C ATOM 1486 O ASN A 99 15.533 4.496 2.671 1.00 0.00 O ATOM 1487 CB ASN A 99 15.175 7.155 1.209 1.00 0.00 C ATOM 1488 CG ASN A 99 16.115 8.303 0.896 1.00 0.00 C ATOM 1489 OD1 ASN A 99 15.989 9.393 1.455 1.00 0.00 O ATOM 1490 ND2 ASN A 99 17.064 8.063 -0.002 1.00 0.00 N ATOM 0 HA ASN A 99 14.299 7.480 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.514 6.260 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.181 7.389 0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.726 8.797 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.131 7.144 -0.440 1.00 0.00 H new ATOM 1497 N PRO A 100 13.516 5.150 3.432 1.00 0.00 N ATOM 1498 CA PRO A 100 13.031 3.793 3.703 1.00 0.00 C ATOM 1499 C PRO A 100 12.777 3.003 2.424 1.00 0.00 C ATOM 1500 O PRO A 100 12.625 1.781 2.458 1.00 0.00 O ATOM 1501 CB PRO A 100 11.720 4.029 4.456 1.00 0.00 C ATOM 1502 CG PRO A 100 11.265 5.376 4.011 1.00 0.00 C ATOM 1503 CD PRO A 100 12.515 6.176 3.768 1.00 0.00 C ATOM 0 HA PRO A 100 13.758 3.203 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.982 3.263 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 100 11.872 3.999 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.665 5.305 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.641 5.848 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.383 6.890 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.805 6.747 4.650 1.00 0.00 H new ATOM 1511 N PHE A 101 12.732 3.706 1.298 1.00 0.00 N ATOM 1512 CA PHE A 101 12.496 3.069 0.007 1.00 0.00 C ATOM 1513 C PHE A 101 13.814 2.713 -0.673 1.00 0.00 C ATOM 1514 O PHE A 101 14.710 3.549 -0.793 1.00 0.00 O ATOM 1515 CB PHE A 101 11.675 3.991 -0.897 1.00 0.00 C ATOM 1516 CG PHE A 101 10.775 3.252 -1.847 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.557 2.751 -1.419 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.148 3.060 -3.167 1.00 0.00 C ATOM 1519 CE1 PHE A 101 8.726 2.071 -2.290 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.322 2.382 -4.043 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.110 1.886 -3.603 1.00 0.00 C ATOM 0 H PHE A 101 12.856 4.717 1.253 1.00 0.00 H new ATOM 0 HA PHE A 101 11.937 2.149 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.070 4.652 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.353 4.624 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.253 2.893 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.095 3.445 -3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.778 1.685 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.623 2.240 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.464 1.354 -4.285 1.00 0.00 H new ATOM 1531 N LEU A 102 13.926 1.465 -1.115 1.00 0.00 N ATOM 1532 CA LEU A 102 15.135 0.996 -1.784 1.00 0.00 C ATOM 1533 C LEU A 102 14.986 1.078 -3.299 1.00 0.00 C ATOM 1534 O LEU A 102 15.906 0.734 -4.043 1.00 0.00 O ATOM 1535 CB LEU A 102 15.446 -0.443 -1.368 1.00 0.00 C ATOM 1536 CG LEU A 102 15.670 -0.676 0.127 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.658 -2.164 0.443 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.981 -0.045 0.574 1.00 0.00 C ATOM 0 H LEU A 102 13.195 0.760 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 102 15.960 1.641 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.625 -1.080 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.337 -0.770 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 102 14.856 -0.202 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.819 -2.310 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.695 -2.588 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.452 -2.661 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 102 17.124 -0.220 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.807 -0.490 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.952 1.028 0.383 1.00 0.00 H new ATOM 1550 N ASP A 103 13.825 1.538 -3.750 1.00 0.00 N ATOM 1551 CA ASP A 103 13.556 1.669 -5.178 1.00 0.00 C ATOM 1552 C ASP A 103 14.261 0.569 -5.966 1.00 0.00 C ATOM 1553 O ASP A 103 14.970 0.843 -6.934 1.00 0.00 O ATOM 1554 CB ASP A 103 14.007 3.042 -5.679 1.00 0.00 C ATOM 1555 CG ASP A 103 13.953 3.153 -7.190 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.269 2.321 -7.822 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.593 4.072 -7.741 1.00 0.00 O ATOM 0 H ASP A 103 13.054 1.827 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 103 12.481 1.570 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.374 3.812 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.025 3.233 -5.340 1.00 0.00 H new ATOM 1562 N ASN A 104 14.060 -0.675 -5.545 1.00 0.00 N ATOM 1563 CA ASN A 104 14.677 -1.817 -6.211 1.00 0.00 C ATOM 1564 C ASN A 104 13.641 -2.893 -6.517 1.00 0.00 C ATOM 1565 O ASN A 104 12.618 -3.016 -5.843 1.00 0.00 O ATOM 1566 CB ASN A 104 15.792 -2.400 -5.340 1.00 0.00 C ATOM 1567 CG ASN A 104 17.140 -1.767 -5.627 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.315 -1.081 -6.635 1.00 0.00 O ATOM 1569 ND2 ASN A 104 18.102 -1.996 -4.740 1.00 0.00 N ATOM 0 H ASN A 104 13.475 -0.919 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 104 15.103 -1.470 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.542 -2.255 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.855 -3.475 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 104 19.030 -1.597 -4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.912 -2.571 -3.919 1.00 0.00 H new ATOM 1576 N PRO A 105 13.910 -3.694 -7.560 1.00 0.00 N ATOM 1577 CA PRO A 105 13.013 -4.775 -7.979 1.00 0.00 C ATOM 1578 C PRO A 105 12.984 -5.925 -6.978 1.00 0.00 C ATOM 1579 O PRO A 105 12.000 -6.660 -6.892 1.00 0.00 O ATOM 1580 CB PRO A 105 13.614 -5.238 -9.308 1.00 0.00 C ATOM 1581 CG PRO A 105 15.055 -4.868 -9.222 1.00 0.00 C ATOM 1582 CD PRO A 105 15.110 -3.605 -8.408 1.00 0.00 C ATOM 0 HA PRO A 105 11.979 -4.440 -8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.489 -6.312 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.130 -4.749 -10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.634 -5.662 -8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.478 -4.711 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 105 16.021 -3.551 -7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.090 -2.718 -9.041 1.00 0.00 H new ATOM 1590 N ASP A 106 14.067 -6.074 -6.224 1.00 0.00 N ATOM 1591 CA ASP A 106 14.165 -7.134 -5.227 1.00 0.00 C ATOM 1592 C ASP A 106 13.292 -6.823 -4.015 1.00 0.00 C ATOM 1593 O ASP A 106 12.942 -7.716 -3.244 1.00 0.00 O ATOM 1594 CB ASP A 106 15.619 -7.320 -4.790 1.00 0.00 C ATOM 1595 CG ASP A 106 15.872 -8.689 -4.189 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.128 -9.632 -4.528 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.815 -8.817 -3.380 1.00 0.00 O ATOM 0 H ASP A 106 14.890 -5.474 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 106 13.809 -8.059 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.275 -7.177 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.877 -6.553 -4.060 1.00 0.00 H new ATOM 1602 N ALA A 107 12.945 -5.550 -3.854 1.00 0.00 N ATOM 1603 CA ALA A 107 12.113 -5.121 -2.736 1.00 0.00 C ATOM 1604 C ALA A 107 10.634 -5.166 -3.105 1.00 0.00 C ATOM 1605 O ALA A 107 10.240 -4.734 -4.189 1.00 0.00 O ATOM 1606 CB ALA A 107 12.506 -3.719 -2.293 1.00 0.00 C ATOM 0 H ALA A 107 13.227 -4.798 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 107 12.276 -5.811 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.877 -3.412 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.550 -3.715 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.373 -3.025 -3.123 1.00 0.00 H new ATOM 1612 N PHE A 108 9.819 -5.692 -2.197 1.00 0.00 N ATOM 1613 CA PHE A 108 8.382 -5.795 -2.427 1.00 0.00 C ATOM 1614 C PHE A 108 7.605 -5.004 -1.379 1.00 0.00 C ATOM 1615 O PHE A 108 8.023 -4.903 -0.226 1.00 0.00 O ATOM 1616 CB PHE A 108 7.945 -7.261 -2.405 1.00 0.00 C ATOM 1617 CG PHE A 108 8.946 -8.196 -3.021 1.00 0.00 C ATOM 1618 CD1 PHE A 108 9.213 -8.148 -4.380 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.620 -9.122 -2.243 1.00 0.00 C ATOM 1620 CE1 PHE A 108 10.134 -9.006 -4.951 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.542 -9.983 -2.808 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.799 -9.925 -4.164 1.00 0.00 C ATOM 0 H PHE A 108 10.129 -6.054 -1.295 1.00 0.00 H new ATOM 0 HA PHE A 108 8.165 -5.373 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.766 -7.563 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.997 -7.357 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.695 -7.432 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.423 -9.172 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.333 -8.958 -6.011 1.00 0.00 H new ATOM 0 HE2 PHE A 108 11.061 -10.700 -2.190 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.519 -10.597 -4.608 1.00 0.00 H new ATOM 1632 N TYR A 109 6.472 -4.445 -1.789 1.00 0.00 N ATOM 1633 CA TYR A 109 5.637 -3.660 -0.888 1.00 0.00 C ATOM 1634 C TYR A 109 4.158 -3.954 -1.121 1.00 0.00 C ATOM 1635 O TYR A 109 3.787 -4.584 -2.111 1.00 0.00 O ATOM 1636 CB TYR A 109 5.908 -2.167 -1.078 1.00 0.00 C ATOM 1637 CG TYR A 109 7.373 -1.801 -0.987 1.00 0.00 C ATOM 1638 CD1 TYR A 109 8.194 -1.858 -2.107 1.00 0.00 C ATOM 1639 CD2 TYR A 109 7.935 -1.400 0.218 1.00 0.00 C ATOM 1640 CE1 TYR A 109 9.532 -1.525 -2.028 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.273 -1.064 0.305 1.00 0.00 C ATOM 1642 CZ TYR A 109 10.067 -1.129 -0.820 1.00 0.00 C ATOM 1643 OH TYR A 109 11.400 -0.796 -0.737 1.00 0.00 O ATOM 0 H TYR A 109 6.111 -4.521 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 109 5.888 -3.940 0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.525 -1.858 -2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.355 -1.607 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.779 -2.168 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.316 -1.350 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.156 -1.574 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.694 -0.752 1.249 1.00 0.00 H new ATOM 0 HH TYR A 109 11.616 -0.538 0.184 1.00 0.00 H new ATOM 1653 N TYR A 110 3.318 -3.491 -0.202 1.00 0.00 N ATOM 1654 CA TYR A 110 1.880 -3.704 -0.305 1.00 0.00 C ATOM 1655 C TYR A 110 1.116 -2.676 0.524 1.00 0.00 C ATOM 1656 O TYR A 110 1.673 -2.049 1.425 1.00 0.00 O ATOM 1657 CB TYR A 110 1.518 -5.117 0.156 1.00 0.00 C ATOM 1658 CG TYR A 110 1.858 -5.387 1.604 1.00 0.00 C ATOM 1659 CD1 TYR A 110 1.093 -4.846 2.630 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.944 -6.183 1.948 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.399 -5.089 3.955 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.257 -6.432 3.269 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.482 -5.883 4.270 1.00 0.00 C ATOM 1664 OH TYR A 110 2.792 -6.128 5.588 1.00 0.00 O ATOM 0 H TYR A 110 3.609 -2.966 0.623 1.00 0.00 H new ATOM 0 HA TYR A 110 1.595 -3.586 -1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.450 -5.277 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.039 -5.840 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.244 -4.224 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.554 -6.614 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.794 -4.660 4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.104 -7.054 3.518 1.00 0.00 H new ATOM 0 HH TYR A 110 2.633 -7.073 5.791 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.165 -2.508 0.212 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.008 -1.556 0.926 1.00 0.00 C ATOM 1676 C PHE A 111 -1.698 -2.224 2.112 1.00 0.00 C ATOM 1677 O PHE A 111 -2.060 -3.400 2.071 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.054 -0.960 -0.018 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.475 -0.434 -1.299 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.580 0.624 -1.287 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.824 -0.997 -2.516 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.046 1.111 -2.465 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.293 -0.514 -3.697 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.402 0.541 -3.672 1.00 0.00 C ATOM 0 H PHE A 111 -0.642 -3.019 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.371 -0.756 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.798 -1.722 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.576 -0.152 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.297 1.073 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.519 -1.823 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.649 1.937 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.575 -0.961 -4.639 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.015 0.919 -4.594 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.883 -1.456 3.197 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.531 -1.951 4.415 1.00 0.00 C ATOM 1696 C PRO A 112 -4.021 -2.204 4.218 1.00 0.00 C ATOM 1697 O PRO A 112 -4.527 -3.278 4.545 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.309 -0.818 5.420 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.149 0.404 4.583 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.476 -0.046 3.316 1.00 0.00 C ATOM 0 HA PRO A 112 -2.121 -2.909 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.154 -0.723 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.424 -0.998 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.116 0.860 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.549 1.154 5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.802 0.541 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.393 0.056 3.378 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.720 -1.209 3.682 1.00 0.00 N ATOM 1709 CA ASP A 113 -6.153 -1.325 3.440 1.00 0.00 C ATOM 1710 C ASP A 113 -6.447 -2.437 2.438 1.00 0.00 C ATOM 1711 O ASP A 113 -7.404 -3.194 2.598 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.714 0.002 2.928 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.894 1.021 4.036 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -5.934 1.237 4.804 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -7.995 1.602 4.135 1.00 0.00 O ATOM 0 H ASP A 113 -4.317 -0.313 3.407 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.637 -1.575 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.044 0.408 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.674 -0.176 2.443 1.00 0.00 H new ATOM 1720 N SER A 114 -5.617 -2.528 1.403 1.00 0.00 N ATOM 1721 CA SER A 114 -5.791 -3.544 0.371 1.00 0.00 C ATOM 1722 C SER A 114 -6.059 -4.910 0.995 1.00 0.00 C ATOM 1723 O SER A 114 -6.918 -5.659 0.530 1.00 0.00 O ATOM 1724 CB SER A 114 -4.550 -3.612 -0.521 1.00 0.00 C ATOM 1725 OG SER A 114 -4.685 -4.623 -1.505 1.00 0.00 O ATOM 0 H SER A 114 -4.818 -1.911 1.257 1.00 0.00 H new ATOM 0 HA SER A 114 -6.652 -3.266 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.392 -2.648 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.669 -3.810 0.090 1.00 0.00 H new ATOM 0 HG SER A 114 -3.880 -4.646 -2.063 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.316 -5.229 2.051 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.488 -6.504 2.721 1.00 0.00 C ATOM 1733 C GLY A 115 -4.393 -7.493 2.375 1.00 0.00 C ATOM 1734 O GLY A 115 -4.632 -8.475 1.672 1.00 0.00 O ATOM 0 H GLY A 115 -4.598 -4.627 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.502 -6.345 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.455 -6.927 2.448 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.186 -7.234 2.867 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.048 -8.107 2.603 1.00 0.00 C ATOM 1740 C PHE A 116 -2.021 -9.275 3.585 1.00 0.00 C ATOM 1741 O PHE A 116 -2.294 -9.109 4.773 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.741 -7.319 2.695 1.00 0.00 C ATOM 1743 CG PHE A 116 0.451 -8.170 3.028 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.803 -8.407 4.347 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.220 -8.733 2.022 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.899 -9.191 4.657 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.316 -9.518 2.326 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.657 -9.746 3.645 1.00 0.00 C ATOM 0 H PHE A 116 -2.971 -6.426 3.451 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.153 -8.505 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.563 -6.814 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.847 -6.543 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.214 -7.974 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.960 -8.556 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.162 -9.369 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.906 -9.953 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.515 -10.357 3.884 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.689 -10.458 3.078 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.626 -11.655 3.909 1.00 0.00 C ATOM 1760 C PHE A 117 -0.451 -12.539 3.501 1.00 0.00 C ATOM 1761 O PHE A 117 -0.408 -13.057 2.385 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.933 -12.444 3.803 1.00 0.00 C ATOM 1763 CG PHE A 117 -3.051 -13.241 2.535 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -2.564 -14.537 2.469 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.649 -12.696 1.411 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.670 -15.272 1.303 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.759 -13.427 0.243 1.00 0.00 C ATOM 1768 CZ PHE A 117 -3.270 -14.717 0.190 1.00 0.00 C ATOM 0 H PHE A 117 -1.460 -10.613 2.096 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.481 -11.342 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -3.011 -13.119 4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.772 -11.752 3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.097 -14.977 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -4.034 -11.688 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -2.284 -16.280 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.227 -12.990 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.357 -15.291 -0.721 1.00 0.00 H new ATOM 1778 N CYS A 118 0.500 -12.706 4.414 1.00 0.00 N ATOM 1779 CA CYS A 118 1.677 -13.526 4.150 1.00 0.00 C ATOM 1780 C CYS A 118 1.341 -15.010 4.259 1.00 0.00 C ATOM 1781 O CYS A 118 0.334 -15.386 4.858 1.00 0.00 O ATOM 1782 CB CYS A 118 2.800 -13.172 5.126 1.00 0.00 C ATOM 1783 SG CYS A 118 2.440 -13.590 6.848 1.00 0.00 S ATOM 0 H CYS A 118 0.479 -12.285 5.343 1.00 0.00 H new ATOM 0 HA CYS A 118 2.012 -13.321 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.709 -13.689 4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.003 -12.103 5.057 1.00 0.00 H new ATOM 0 HG CYS A 118 3.449 -13.255 7.596 1.00 0.00 H new ATOM 1789 N GLU A 119 2.191 -15.848 3.674 1.00 0.00 N ATOM 1790 CA GLU A 119 1.982 -17.291 3.704 1.00 0.00 C ATOM 1791 C GLU A 119 3.304 -18.036 3.540 1.00 0.00 C ATOM 1792 O GLU A 119 3.879 -18.068 2.453 1.00 0.00 O ATOM 1793 CB GLU A 119 1.009 -17.711 2.600 1.00 0.00 C ATOM 1794 CG GLU A 119 1.097 -16.851 1.351 1.00 0.00 C ATOM 1795 CD GLU A 119 0.669 -17.593 0.100 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.103 -18.751 -0.080 1.00 0.00 O ATOM 1797 OE2 GLU A 119 -0.099 -17.018 -0.698 1.00 0.00 O ATOM 0 H GLU A 119 3.030 -15.553 3.174 1.00 0.00 H new ATOM 0 HA GLU A 119 1.556 -17.550 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.205 -18.749 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.008 -17.669 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.470 -15.968 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.121 -16.500 1.228 1.00 0.00 H new