USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 766 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 83 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 GLN : amide:sc= -1.94! C(o=-1.9!,f=-1.6!) USER MOD Set 2.1: A 22 ASN : amide:sc= -1.59 K(o=-0.93,f=-2.4) USER MOD Set 2.2: A 67 THR OG1 : rot 89:sc= 0.668 USER MOD Set 3.1: A 58 HIS :FLIP no HE2:sc= -0.179 F(o=-2.5,f=-0.33) USER MOD Set 3.2: A 62 GLN : amide:sc= -0.155 K(o=-0.33,f=-1.5!) USER MOD Set 3.3: A 65 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 4.1: A 52 ASN : amide:sc= -3.31! C(o=-6.4!,f=-11!) USER MOD Set 4.2: A 55 GLN : amide:sc= -3.1! C(o=-6.4!,f=-8.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 135:sc= 0.0109 USER MOD Single : A 17 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.015) USER MOD Single : A 18 THR OG1 : rot 97:sc= 1.06 USER MOD Single : A 19 CYS SG : rot -160:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0697 K(o=-0.07,f=-0.94) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 30 THR OG1 : rot 98:sc= 0.147 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.62 F(o=-2.7!,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 37 MET CE :methyl -115:sc= -7.34! (180deg=-8.83!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.42! C(o=-4!,f=-1.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -60:sc= -3.92! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 68 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= -0.119 (180deg=-1.14) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0585 K(o=-0.058,f=-1.6!) USER MOD Single : A 89 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.7!) USER MOD Single : A 92 GLN : amide:sc= -0.0955 X(o=-0.096,f=-0.12) USER MOD Single : A 93 LYS NZ :NH3+ 139:sc= -0.0582 (180deg=-0.436) USER MOD Single : A 97 MET CE :methyl -131:sc= -1.23 (180deg=-1.94!) USER MOD Single : A 98 ASN : amide:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.2!) USER MOD Single : A 106 ASN : amide:sc= 0.11 X(o=0.11,f=-0.0087) USER MOD Single : A 108 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.2!) USER MOD Single : A 111 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 115 SER OG : rot 88:sc= 1.25 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N ASP A 11 9.616 -17.202 -2.274 1.00 0.00 N ATOM 127 CA ASP A 11 8.730 -18.231 -1.755 1.00 0.00 C ATOM 128 C ASP A 11 7.490 -17.572 -1.150 1.00 0.00 C ATOM 129 O ASP A 11 7.522 -16.398 -0.782 1.00 0.00 O ATOM 130 CB ASP A 11 9.417 -19.046 -0.657 1.00 0.00 C ATOM 131 CG ASP A 11 10.806 -19.575 -1.017 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.759 -18.770 -0.936 1.00 0.00 O ATOM 133 OD2 ASP A 11 10.885 -20.773 -1.366 1.00 0.00 O ATOM 0 HA ASP A 11 8.460 -18.892 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.501 -18.426 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.779 -19.891 -0.399 1.00 0.00 H new ATOM 138 N PHE A 12 6.425 -18.356 -1.064 1.00 0.00 N ATOM 139 CA PHE A 12 5.176 -17.863 -0.509 1.00 0.00 C ATOM 140 C PHE A 12 5.424 -17.046 0.761 1.00 0.00 C ATOM 141 O PHE A 12 4.903 -15.941 0.904 1.00 0.00 O ATOM 142 CB PHE A 12 4.330 -19.088 -0.155 1.00 0.00 C ATOM 143 CG PHE A 12 2.908 -18.751 0.302 1.00 0.00 C ATOM 144 CD1 PHE A 12 2.686 -18.327 1.575 1.00 0.00 C ATOM 145 CD2 PHE A 12 1.868 -18.876 -0.565 1.00 0.00 C ATOM 146 CE1 PHE A 12 1.367 -18.016 1.998 1.00 0.00 C ATOM 147 CE2 PHE A 12 0.549 -18.564 -0.141 1.00 0.00 C ATOM 148 CZ PHE A 12 0.327 -18.140 1.131 1.00 0.00 C ATOM 0 H PHE A 12 6.402 -19.329 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 12 4.677 -17.218 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.276 -19.743 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.832 -19.647 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.512 -18.227 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.045 -19.212 -1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.190 -17.681 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.277 -18.664 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.676 -17.901 1.453 1.00 0.00 H new ATOM 158 N SER A 13 6.220 -17.621 1.650 1.00 0.00 N ATOM 159 CA SER A 13 6.544 -16.959 2.903 1.00 0.00 C ATOM 160 C SER A 13 7.354 -15.690 2.630 1.00 0.00 C ATOM 161 O SER A 13 7.225 -14.701 3.350 1.00 0.00 O ATOM 162 CB SER A 13 7.319 -17.894 3.834 1.00 0.00 C ATOM 163 OG SER A 13 6.598 -18.173 5.031 1.00 0.00 O ATOM 0 H SER A 13 6.650 -18.538 1.528 1.00 0.00 H new ATOM 0 HA SER A 13 5.612 -16.687 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.533 -18.828 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.278 -17.442 4.086 1.00 0.00 H new ATOM 0 HG SER A 13 7.125 -18.774 5.598 1.00 0.00 H new ATOM 169 N SER A 14 8.170 -15.759 1.589 1.00 0.00 N ATOM 170 CA SER A 14 9.000 -14.628 1.212 1.00 0.00 C ATOM 171 C SER A 14 8.136 -13.526 0.597 1.00 0.00 C ATOM 172 O SER A 14 8.362 -12.343 0.846 1.00 0.00 O ATOM 173 CB SER A 14 10.097 -15.051 0.233 1.00 0.00 C ATOM 174 OG SER A 14 10.915 -16.090 0.764 1.00 0.00 O ATOM 0 H SER A 14 8.274 -16.581 0.994 1.00 0.00 H new ATOM 0 HA SER A 14 9.482 -14.244 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.642 -15.388 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.718 -14.189 -0.010 1.00 0.00 H new ATOM 0 HG SER A 14 11.050 -16.781 0.082 1.00 0.00 H new ATOM 180 N ILE A 15 7.163 -13.953 -0.194 1.00 0.00 N ATOM 181 CA ILE A 15 6.263 -13.018 -0.847 1.00 0.00 C ATOM 182 C ILE A 15 5.287 -12.451 0.186 1.00 0.00 C ATOM 183 O ILE A 15 5.042 -11.246 0.218 1.00 0.00 O ATOM 184 CB ILE A 15 5.577 -13.680 -2.043 1.00 0.00 C ATOM 185 CG1 ILE A 15 6.603 -14.334 -2.971 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.687 -12.682 -2.786 1.00 0.00 C ATOM 187 CD1 ILE A 15 5.919 -15.263 -3.976 1.00 0.00 C ATOM 0 H ILE A 15 6.978 -14.935 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 15 6.820 -12.175 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 15 4.929 -14.473 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.160 -13.563 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.325 -14.899 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.211 -13.178 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.921 -12.304 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.294 -11.852 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.670 -15.715 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.383 -16.046 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.216 -14.690 -4.581 1.00 0.00 H new ATOM 199 N ILE A 16 4.756 -13.347 1.005 1.00 0.00 N ATOM 200 CA ILE A 16 3.812 -12.951 2.037 1.00 0.00 C ATOM 201 C ILE A 16 4.393 -11.780 2.831 1.00 0.00 C ATOM 202 O ILE A 16 3.863 -10.671 2.786 1.00 0.00 O ATOM 203 CB ILE A 16 3.431 -14.153 2.903 1.00 0.00 C ATOM 204 CG1 ILE A 16 2.461 -15.076 2.163 1.00 0.00 C ATOM 205 CG2 ILE A 16 2.873 -13.700 4.254 1.00 0.00 C ATOM 206 CD1 ILE A 16 1.180 -15.289 2.973 1.00 0.00 C ATOM 0 H ILE A 16 4.961 -14.346 0.975 1.00 0.00 H new ATOM 0 HA ILE A 16 2.881 -12.602 1.589 1.00 0.00 H new ATOM 0 HB ILE A 16 4.334 -14.729 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.214 -14.647 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.940 -16.037 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.610 -14.574 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.626 -13.114 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.985 -13.089 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.508 -15.949 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.428 -15.741 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.691 -14.329 3.139 1.00 0.00 H new ATOM 218 N GLN A 17 5.475 -12.066 3.541 1.00 0.00 N ATOM 219 CA GLN A 17 6.133 -11.050 4.344 1.00 0.00 C ATOM 220 C GLN A 17 6.128 -9.707 3.610 1.00 0.00 C ATOM 221 O GLN A 17 5.686 -8.698 4.158 1.00 0.00 O ATOM 222 CB GLN A 17 7.559 -11.473 4.703 1.00 0.00 C ATOM 223 CG GLN A 17 7.551 -12.613 5.723 1.00 0.00 C ATOM 224 CD GLN A 17 8.877 -13.377 5.701 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.953 -12.804 5.665 1.00 0.00 O ATOM 226 NE2 GLN A 17 8.739 -14.700 5.725 1.00 0.00 N ATOM 0 H GLN A 17 5.912 -12.987 3.577 1.00 0.00 H new ATOM 0 HA GLN A 17 5.578 -10.935 5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.086 -11.789 3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.104 -10.621 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.375 -12.212 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.730 -13.296 5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.808 -15.115 5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.564 -15.299 5.714 1.00 0.00 H new ATOM 235 N THR A 18 6.624 -9.738 2.382 1.00 0.00 N ATOM 236 CA THR A 18 6.683 -8.537 1.568 1.00 0.00 C ATOM 237 C THR A 18 5.289 -7.921 1.425 1.00 0.00 C ATOM 238 O THR A 18 5.133 -6.704 1.511 1.00 0.00 O ATOM 239 CB THR A 18 7.325 -8.904 0.228 1.00 0.00 C ATOM 240 OG1 THR A 18 8.537 -9.559 0.592 1.00 0.00 O ATOM 241 CG2 THR A 18 7.787 -7.674 -0.556 1.00 0.00 C ATOM 0 H THR A 18 6.989 -10.577 1.931 1.00 0.00 H new ATOM 0 HA THR A 18 7.297 -7.770 2.040 1.00 0.00 H new ATOM 0 HB THR A 18 6.613 -9.471 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.401 -10.529 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.235 -7.990 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.932 -7.030 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.524 -7.125 0.030 1.00 0.00 H new ATOM 249 N CYS A 19 4.313 -8.790 1.209 1.00 0.00 N ATOM 250 CA CYS A 19 2.938 -8.347 1.054 1.00 0.00 C ATOM 251 C CYS A 19 2.509 -7.649 2.346 1.00 0.00 C ATOM 252 O CYS A 19 2.110 -6.485 2.324 1.00 0.00 O ATOM 253 CB CYS A 19 2.007 -9.507 0.696 1.00 0.00 C ATOM 254 SG CYS A 19 2.228 -9.967 -1.062 1.00 0.00 S ATOM 0 H CYS A 19 4.447 -9.799 1.138 1.00 0.00 H new ATOM 0 HA CYS A 19 2.871 -7.644 0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.219 -10.365 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.971 -9.222 0.879 1.00 0.00 H new ATOM 0 HG CYS A 19 1.187 -10.629 -1.472 1.00 0.00 H new ATOM 260 N SER A 20 2.605 -8.389 3.441 1.00 0.00 N ATOM 261 CA SER A 20 2.232 -7.856 4.740 1.00 0.00 C ATOM 262 C SER A 20 2.917 -6.507 4.968 1.00 0.00 C ATOM 263 O SER A 20 2.254 -5.508 5.245 1.00 0.00 O ATOM 264 CB SER A 20 2.595 -8.832 5.861 1.00 0.00 C ATOM 265 OG SER A 20 1.867 -8.566 7.057 1.00 0.00 O ATOM 0 H SER A 20 2.936 -9.354 3.455 1.00 0.00 H new ATOM 0 HA SER A 20 1.151 -7.715 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.393 -9.852 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.664 -8.768 6.065 1.00 0.00 H new ATOM 0 HG SER A 20 2.126 -9.211 7.748 1.00 0.00 H new ATOM 271 N GLY A 21 4.236 -6.520 4.844 1.00 0.00 N ATOM 272 CA GLY A 21 5.019 -5.311 5.033 1.00 0.00 C ATOM 273 C GLY A 21 4.478 -4.168 4.171 1.00 0.00 C ATOM 274 O GLY A 21 4.161 -3.095 4.684 1.00 0.00 O ATOM 0 H GLY A 21 4.783 -7.350 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.998 -5.020 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.061 -5.504 4.776 1.00 0.00 H new ATOM 278 N ASN A 22 4.389 -4.436 2.877 1.00 0.00 N ATOM 279 CA ASN A 22 3.892 -3.443 1.939 1.00 0.00 C ATOM 280 C ASN A 22 2.606 -2.825 2.492 1.00 0.00 C ATOM 281 O ASN A 22 2.488 -1.604 2.580 1.00 0.00 O ATOM 282 CB ASN A 22 3.568 -4.078 0.585 1.00 0.00 C ATOM 283 CG ASN A 22 4.845 -4.523 -0.131 1.00 0.00 C ATOM 284 OD1 ASN A 22 5.953 -4.310 0.332 1.00 0.00 O ATOM 285 ND2 ASN A 22 4.628 -5.153 -1.282 1.00 0.00 N ATOM 0 H ASN A 22 4.653 -5.327 2.455 1.00 0.00 H new ATOM 0 HA ASN A 22 4.666 -2.687 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.910 -4.935 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.029 -3.363 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.416 -5.491 -1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.674 -5.298 -1.612 1.00 0.00 H new ATOM 292 N ILE A 23 1.674 -3.697 2.849 1.00 0.00 N ATOM 293 CA ILE A 23 0.401 -3.253 3.390 1.00 0.00 C ATOM 294 C ILE A 23 0.651 -2.202 4.473 1.00 0.00 C ATOM 295 O ILE A 23 0.126 -1.092 4.401 1.00 0.00 O ATOM 296 CB ILE A 23 -0.423 -4.448 3.871 1.00 0.00 C ATOM 297 CG1 ILE A 23 -1.014 -5.219 2.689 1.00 0.00 C ATOM 298 CG2 ILE A 23 -1.501 -4.007 4.864 1.00 0.00 C ATOM 299 CD1 ILE A 23 -1.717 -6.493 3.161 1.00 0.00 C ATOM 0 H ILE A 23 1.776 -4.709 2.774 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.197 -2.775 2.614 1.00 0.00 H new ATOM 0 HB ILE A 23 0.243 -5.130 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.722 -4.586 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.222 -5.476 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.072 -4.876 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.030 -3.537 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.169 -3.293 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.128 -7.022 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.001 -7.135 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.524 -6.231 3.845 1.00 0.00 H new ATOM 311 N GLN A 24 1.455 -2.589 5.454 1.00 0.00 N ATOM 312 CA GLN A 24 1.781 -1.694 6.551 1.00 0.00 C ATOM 313 C GLN A 24 2.178 -0.318 6.013 1.00 0.00 C ATOM 314 O GLN A 24 1.529 0.682 6.317 1.00 0.00 O ATOM 315 CB GLN A 24 2.890 -2.282 7.426 1.00 0.00 C ATOM 316 CG GLN A 24 2.391 -3.507 8.195 1.00 0.00 C ATOM 317 CD GLN A 24 1.536 -3.091 9.394 1.00 0.00 C ATOM 318 OE1 GLN A 24 1.801 -2.109 10.067 1.00 0.00 O ATOM 319 NE2 GLN A 24 0.499 -3.892 9.623 1.00 0.00 N ATOM 0 H GLN A 24 1.890 -3.510 5.511 1.00 0.00 H new ATOM 0 HA GLN A 24 0.895 -1.576 7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.740 -2.561 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.243 -1.527 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.807 -4.145 7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.241 -4.097 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.334 -4.698 9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.132 -3.700 10.401 1.00 0.00 H new ATOM 328 N ARG A 25 3.242 -0.311 5.224 1.00 0.00 N ATOM 329 CA ARG A 25 3.734 0.926 4.641 1.00 0.00 C ATOM 330 C ARG A 25 2.580 1.714 4.017 1.00 0.00 C ATOM 331 O ARG A 25 2.364 2.877 4.354 1.00 0.00 O ATOM 332 CB ARG A 25 4.791 0.649 3.570 1.00 0.00 C ATOM 333 CG ARG A 25 6.194 0.621 4.180 1.00 0.00 C ATOM 334 CD ARG A 25 6.773 -0.795 4.158 1.00 0.00 C ATOM 335 NE ARG A 25 7.727 -0.969 5.275 1.00 0.00 N ATOM 336 CZ ARG A 25 8.566 -2.008 5.393 1.00 0.00 C ATOM 337 NH1 ARG A 25 8.573 -2.971 4.461 1.00 0.00 N ATOM 338 NH2 ARG A 25 9.397 -2.083 6.441 1.00 0.00 N ATOM 0 H ARG A 25 3.778 -1.142 4.975 1.00 0.00 H new ATOM 0 HA ARG A 25 4.189 1.511 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.582 -0.305 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.741 1.417 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.849 1.294 3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.156 0.986 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.969 -1.527 4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.276 -0.977 3.208 1.00 0.00 H new ATOM 0 HE ARG A 25 7.748 -0.253 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.940 -2.913 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.211 -3.762 4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.392 -1.349 7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.035 -2.874 6.530 1.00 0.00 H new ATOM 352 N ILE A 26 1.869 1.048 3.119 1.00 0.00 N ATOM 353 CA ILE A 26 0.743 1.672 2.445 1.00 0.00 C ATOM 354 C ILE A 26 -0.099 2.436 3.468 1.00 0.00 C ATOM 355 O ILE A 26 -0.441 3.598 3.253 1.00 0.00 O ATOM 356 CB ILE A 26 -0.049 0.631 1.651 1.00 0.00 C ATOM 357 CG1 ILE A 26 0.812 0.009 0.550 1.00 0.00 C ATOM 358 CG2 ILE A 26 -1.343 1.232 1.097 1.00 0.00 C ATOM 359 CD1 ILE A 26 0.171 -1.271 0.010 1.00 0.00 C ATOM 0 H ILE A 26 2.051 0.083 2.843 1.00 0.00 H new ATOM 0 HA ILE A 26 1.093 2.400 1.713 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.332 -0.173 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.943 0.725 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.804 -0.214 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.887 0.471 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.961 1.587 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.104 2.066 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.803 -1.693 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.063 -1.993 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.811 -1.040 -0.403 1.00 0.00 H new ATOM 371 N SER A 27 -0.410 1.753 4.560 1.00 0.00 N ATOM 372 CA SER A 27 -1.206 2.353 5.617 1.00 0.00 C ATOM 373 C SER A 27 -0.394 3.434 6.334 1.00 0.00 C ATOM 374 O SER A 27 -0.949 4.434 6.787 1.00 0.00 O ATOM 375 CB SER A 27 -1.681 1.296 6.617 1.00 0.00 C ATOM 376 OG SER A 27 -3.073 1.416 6.898 1.00 0.00 O ATOM 0 H SER A 27 -0.125 0.790 4.736 1.00 0.00 H new ATOM 0 HA SER A 27 -2.087 2.808 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.476 0.302 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.114 1.392 7.543 1.00 0.00 H new ATOM 0 HG SER A 27 -3.338 0.723 7.538 1.00 0.00 H new ATOM 382 N GLN A 28 0.907 3.196 6.414 1.00 0.00 N ATOM 383 CA GLN A 28 1.801 4.137 7.068 1.00 0.00 C ATOM 384 C GLN A 28 1.781 5.482 6.339 1.00 0.00 C ATOM 385 O GLN A 28 1.357 6.490 6.902 1.00 0.00 O ATOM 386 CB GLN A 28 3.223 3.577 7.148 1.00 0.00 C ATOM 387 CG GLN A 28 3.284 2.367 8.081 1.00 0.00 C ATOM 388 CD GLN A 28 4.539 2.412 8.956 1.00 0.00 C ATOM 389 OE1 GLN A 28 5.658 2.495 8.478 1.00 0.00 O ATOM 390 NE2 GLN A 28 4.290 2.353 10.261 1.00 0.00 N ATOM 0 H GLN A 28 1.363 2.365 6.037 1.00 0.00 H new ATOM 0 HA GLN A 28 1.450 4.294 8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.561 3.290 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.903 4.351 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.396 2.346 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.279 1.449 7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.328 2.284 10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.061 2.376 10.929 1.00 0.00 H new ATOM 399 N ALA A 29 2.245 5.454 5.099 1.00 0.00 N ATOM 400 CA ALA A 29 2.286 6.658 4.287 1.00 0.00 C ATOM 401 C ALA A 29 0.928 7.362 4.357 1.00 0.00 C ATOM 402 O ALA A 29 0.864 8.588 4.432 1.00 0.00 O ATOM 403 CB ALA A 29 2.681 6.296 2.854 1.00 0.00 C ATOM 0 H ALA A 29 2.596 4.616 4.636 1.00 0.00 H new ATOM 0 HA ALA A 29 3.037 7.351 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.711 7.200 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.665 5.826 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.949 5.604 2.439 1.00 0.00 H new ATOM 409 N THR A 30 -0.122 6.555 4.331 1.00 0.00 N ATOM 410 CA THR A 30 -1.474 7.084 4.391 1.00 0.00 C ATOM 411 C THR A 30 -1.697 7.829 5.708 1.00 0.00 C ATOM 412 O THR A 30 -2.505 8.754 5.773 1.00 0.00 O ATOM 413 CB THR A 30 -2.447 5.923 4.177 1.00 0.00 C ATOM 414 OG1 THR A 30 -2.481 5.755 2.762 1.00 0.00 O ATOM 415 CG2 THR A 30 -3.886 6.289 4.544 1.00 0.00 C ATOM 0 H THR A 30 -0.064 5.539 4.269 1.00 0.00 H new ATOM 0 HA THR A 30 -1.646 7.819 3.605 1.00 0.00 H new ATOM 0 HB THR A 30 -2.128 5.068 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.873 5.031 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.535 5.430 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.932 6.575 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.218 7.123 3.926 1.00 0.00 H new ATOM 423 N ALA A 31 -0.967 7.398 6.726 1.00 0.00 N ATOM 424 CA ALA A 31 -1.075 8.012 8.038 1.00 0.00 C ATOM 425 C ALA A 31 -0.258 9.305 8.060 1.00 0.00 C ATOM 426 O ALA A 31 -0.670 10.294 8.665 1.00 0.00 O ATOM 427 CB ALA A 31 -0.619 7.017 9.107 1.00 0.00 C ATOM 0 H ALA A 31 -0.298 6.630 6.668 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.111 8.272 8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.700 7.478 10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.249 6.128 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.418 6.735 8.923 1.00 0.00 H new ATOM 433 N GLN A 32 0.885 9.257 7.392 1.00 0.00 N ATOM 434 CA GLN A 32 1.763 10.413 7.327 1.00 0.00 C ATOM 435 C GLN A 32 1.059 11.575 6.624 1.00 0.00 C ATOM 436 O GLN A 32 1.245 12.733 6.994 1.00 0.00 O ATOM 437 CB GLN A 32 3.078 10.064 6.626 1.00 0.00 C ATOM 438 CG GLN A 32 4.112 9.546 7.628 1.00 0.00 C ATOM 439 CD GLN A 32 4.765 8.257 7.126 1.00 0.00 C ATOM 440 OE1 GLN A 32 3.899 7.290 6.836 1.00 0.00 O flip ATOM 441 NE2 GLN A 32 5.974 8.148 7.009 1.00 0.00 N flip ATOM 0 H GLN A 32 1.224 8.436 6.891 1.00 0.00 H new ATOM 0 HA GLN A 32 2.002 10.721 8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.897 9.309 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.469 10.946 6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.877 10.305 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.632 9.364 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.582 8.931 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.377 7.274 6.670 1.00 0.00 H new ATOM 450 N ILE A 33 0.266 11.226 5.621 1.00 0.00 N ATOM 451 CA ILE A 33 -0.466 12.226 4.863 1.00 0.00 C ATOM 452 C ILE A 33 -1.521 12.871 5.764 1.00 0.00 C ATOM 453 O ILE A 33 -1.673 14.092 5.773 1.00 0.00 O ATOM 454 CB ILE A 33 -1.040 11.614 3.584 1.00 0.00 C ATOM 455 CG1 ILE A 33 0.045 11.454 2.518 1.00 0.00 C ATOM 456 CG2 ILE A 33 -2.230 12.429 3.073 1.00 0.00 C ATOM 457 CD1 ILE A 33 0.061 10.029 1.961 1.00 0.00 C ATOM 0 H ILE A 33 0.115 10.264 5.316 1.00 0.00 H new ATOM 0 HA ILE A 33 0.203 13.022 4.535 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.410 10.616 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.128 12.163 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.019 11.692 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.620 11.973 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.011 12.448 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.908 13.448 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.841 9.943 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.259 9.325 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.906 9.803 1.512 1.00 0.00 H new ATOM 469 N LYS A 34 -2.224 12.022 6.500 1.00 0.00 N ATOM 470 CA LYS A 34 -3.261 12.494 7.402 1.00 0.00 C ATOM 471 C LYS A 34 -2.616 13.267 8.554 1.00 0.00 C ATOM 472 O LYS A 34 -3.209 14.203 9.087 1.00 0.00 O ATOM 473 CB LYS A 34 -4.143 11.330 7.860 1.00 0.00 C ATOM 474 CG LYS A 34 -5.158 10.953 6.779 1.00 0.00 C ATOM 475 CD LYS A 34 -6.150 9.911 7.298 1.00 0.00 C ATOM 476 CE LYS A 34 -7.388 9.838 6.402 1.00 0.00 C ATOM 477 NZ LYS A 34 -8.549 10.468 7.070 1.00 0.00 N ATOM 0 H LYS A 34 -2.096 11.010 6.490 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.928 13.186 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.520 10.467 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.667 11.604 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.697 11.843 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.636 10.561 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.668 8.934 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.448 10.163 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.189 10.340 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.615 8.798 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.381 10.410 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.748 9.971 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.335 11.466 7.270 1.00 0.00 H new ATOM 491 N ASN A 35 -1.409 12.846 8.903 1.00 0.00 N ATOM 492 CA ASN A 35 -0.676 13.488 9.982 1.00 0.00 C ATOM 493 C ASN A 35 -0.063 14.793 9.472 1.00 0.00 C ATOM 494 O ASN A 35 -0.078 15.805 10.170 1.00 0.00 O ATOM 495 CB ASN A 35 0.461 12.595 10.483 1.00 0.00 C ATOM 496 CG ASN A 35 0.984 13.080 11.836 1.00 0.00 C ATOM 497 OD1 ASN A 35 0.489 14.032 12.417 1.00 0.00 O ATOM 498 ND2 ASN A 35 2.009 12.374 12.305 1.00 0.00 N ATOM 0 H ASN A 35 -0.920 12.069 8.458 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.374 13.675 10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.109 11.567 10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.273 12.591 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.429 12.618 13.202 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.375 11.588 11.768 1.00 0.00 H new ATOM 505 N LEU A 36 0.461 14.727 8.257 1.00 0.00 N ATOM 506 CA LEU A 36 1.078 15.891 7.644 1.00 0.00 C ATOM 507 C LEU A 36 -0.014 16.837 7.141 1.00 0.00 C ATOM 508 O LEU A 36 0.257 17.997 6.833 1.00 0.00 O ATOM 509 CB LEU A 36 2.069 15.464 6.559 1.00 0.00 C ATOM 510 CG LEU A 36 3.291 14.677 7.039 1.00 0.00 C ATOM 511 CD1 LEU A 36 3.951 13.929 5.879 1.00 0.00 C ATOM 512 CD2 LEU A 36 4.278 15.589 7.770 1.00 0.00 C ATOM 0 H LEU A 36 0.471 13.886 7.681 1.00 0.00 H new ATOM 0 HA LEU A 36 1.664 16.442 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.536 14.858 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.417 16.357 6.041 1.00 0.00 H new ATOM 0 HG LEU A 36 2.955 13.927 7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.817 13.378 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.236 13.232 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.271 14.643 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.137 15.005 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.613 16.377 7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.788 16.036 8.635 1.00 0.00 H new ATOM 524 N MET A 37 -1.226 16.307 7.073 1.00 0.00 N ATOM 525 CA MET A 37 -2.361 17.089 6.613 1.00 0.00 C ATOM 526 C MET A 37 -2.618 18.279 7.539 1.00 0.00 C ATOM 527 O MET A 37 -2.400 19.427 7.155 1.00 0.00 O ATOM 528 CB MET A 37 -3.606 16.202 6.563 1.00 0.00 C ATOM 529 CG MET A 37 -4.318 16.331 5.215 1.00 0.00 C ATOM 530 SD MET A 37 -5.597 15.093 5.079 1.00 0.00 S ATOM 531 CE MET A 37 -4.653 13.747 4.384 1.00 0.00 C ATOM 0 H MET A 37 -1.447 15.345 7.329 1.00 0.00 H new ATOM 0 HA MET A 37 -2.136 17.470 5.617 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.323 15.163 6.731 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.288 16.481 7.366 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.752 17.326 5.117 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.600 16.215 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.018 13.527 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.601 14.028 4.334 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.763 12.863 5.012 1.00 0.00 H new ATOM 541 N SER A 38 -3.079 17.964 8.740 1.00 0.00 N ATOM 542 CA SER A 38 -3.368 18.994 9.724 1.00 0.00 C ATOM 543 C SER A 38 -2.133 19.870 9.944 1.00 0.00 C ATOM 544 O SER A 38 -2.248 21.087 10.078 1.00 0.00 O ATOM 545 CB SER A 38 -3.824 18.377 11.048 1.00 0.00 C ATOM 546 OG SER A 38 -5.205 18.621 11.303 1.00 0.00 O ATOM 0 H SER A 38 -3.260 17.011 9.054 1.00 0.00 H new ATOM 0 HA SER A 38 -4.180 19.613 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.643 17.302 11.028 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.227 18.786 11.863 1.00 0.00 H new ATOM 0 HG SER A 38 -5.458 18.210 12.156 1.00 0.00 H new ATOM 755 N ASN A 52 6.636 16.007 0.875 1.00 0.00 N ATOM 756 CA ASN A 52 6.564 14.701 1.508 1.00 0.00 C ATOM 757 C ASN A 52 5.236 14.035 1.143 1.00 0.00 C ATOM 758 O ASN A 52 5.218 12.899 0.670 1.00 0.00 O ATOM 759 CB ASN A 52 6.627 14.825 3.032 1.00 0.00 C ATOM 760 CG ASN A 52 7.918 14.211 3.579 1.00 0.00 C ATOM 761 OD1 ASN A 52 8.913 14.076 2.886 1.00 0.00 O ATOM 762 ND2 ASN A 52 7.846 13.849 4.856 1.00 0.00 N ATOM 0 HA ASN A 52 7.410 14.109 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.570 15.875 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.766 14.326 3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.655 13.430 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.981 13.991 5.378 1.00 0.00 H new ATOM 769 N LEU A 53 4.158 14.769 1.375 1.00 0.00 N ATOM 770 CA LEU A 53 2.830 14.263 1.076 1.00 0.00 C ATOM 771 C LEU A 53 2.867 13.493 -0.246 1.00 0.00 C ATOM 772 O LEU A 53 2.384 12.364 -0.325 1.00 0.00 O ATOM 773 CB LEU A 53 1.806 15.399 1.097 1.00 0.00 C ATOM 774 CG LEU A 53 1.684 16.169 2.413 1.00 0.00 C ATOM 775 CD1 LEU A 53 0.885 17.460 2.223 1.00 0.00 C ATOM 776 CD2 LEU A 53 1.091 15.285 3.512 1.00 0.00 C ATOM 0 H LEU A 53 4.177 15.711 1.767 1.00 0.00 H new ATOM 0 HA LEU A 53 2.509 13.561 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.062 16.106 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.829 14.985 0.850 1.00 0.00 H new ATOM 0 HG LEU A 53 2.685 16.455 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.814 17.987 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.387 18.095 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.116 17.219 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.015 15.856 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.099 14.947 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.736 14.421 3.671 1.00 0.00 H new ATOM 788 N GLN A 54 3.446 14.134 -1.251 1.00 0.00 N ATOM 789 CA GLN A 54 3.553 13.523 -2.565 1.00 0.00 C ATOM 790 C GLN A 54 4.558 12.370 -2.534 1.00 0.00 C ATOM 791 O GLN A 54 4.362 11.353 -3.198 1.00 0.00 O ATOM 792 CB GLN A 54 3.940 14.560 -3.621 1.00 0.00 C ATOM 793 CG GLN A 54 2.754 15.464 -3.963 1.00 0.00 C ATOM 794 CD GLN A 54 3.095 16.401 -5.123 1.00 0.00 C ATOM 795 OE1 GLN A 54 3.793 16.045 -6.059 1.00 0.00 O ATOM 796 NE2 GLN A 54 2.566 17.616 -5.010 1.00 0.00 N ATOM 0 H GLN A 54 3.846 15.070 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 54 2.577 13.121 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.769 15.165 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.288 14.054 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.891 14.853 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.475 16.050 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.991 17.849 -4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.735 18.315 -5.733 1.00 0.00 H new ATOM 805 N GLN A 55 5.613 12.567 -1.757 1.00 0.00 N ATOM 806 CA GLN A 55 6.649 11.556 -1.632 1.00 0.00 C ATOM 807 C GLN A 55 6.125 10.354 -0.843 1.00 0.00 C ATOM 808 O GLN A 55 6.711 9.274 -0.890 1.00 0.00 O ATOM 809 CB GLN A 55 7.905 12.136 -0.977 1.00 0.00 C ATOM 810 CG GLN A 55 8.024 11.681 0.479 1.00 0.00 C ATOM 811 CD GLN A 55 9.307 12.217 1.117 1.00 0.00 C ATOM 812 OE1 GLN A 55 9.867 13.217 0.701 1.00 0.00 O ATOM 813 NE2 GLN A 55 9.739 11.497 2.149 1.00 0.00 N ATOM 0 H GLN A 55 5.773 13.412 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 55 6.923 11.219 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.788 11.821 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.872 13.225 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.159 12.029 1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.018 10.592 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.222 10.670 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.588 11.772 2.643 1.00 0.00 H new ATOM 822 N LEU A 56 5.027 10.583 -0.138 1.00 0.00 N ATOM 823 CA LEU A 56 4.418 9.532 0.659 1.00 0.00 C ATOM 824 C LEU A 56 3.338 8.831 -0.168 1.00 0.00 C ATOM 825 O LEU A 56 3.078 7.644 0.023 1.00 0.00 O ATOM 826 CB LEU A 56 3.906 10.095 1.986 1.00 0.00 C ATOM 827 CG LEU A 56 4.954 10.281 3.085 1.00 0.00 C ATOM 828 CD1 LEU A 56 4.564 11.421 4.028 1.00 0.00 C ATOM 829 CD2 LEU A 56 5.198 8.972 3.838 1.00 0.00 C ATOM 0 H LEU A 56 4.544 11.480 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 56 5.159 8.777 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.437 11.060 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.127 9.432 2.363 1.00 0.00 H new ATOM 0 HG LEU A 56 5.896 10.561 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.326 11.532 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.483 12.349 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.605 11.195 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.947 9.132 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.267 8.637 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.554 8.213 3.142 1.00 0.00 H new ATOM 841 N GLN A 57 2.740 9.595 -1.070 1.00 0.00 N ATOM 842 CA GLN A 57 1.695 9.062 -1.928 1.00 0.00 C ATOM 843 C GLN A 57 2.294 8.113 -2.968 1.00 0.00 C ATOM 844 O GLN A 57 1.927 6.941 -3.030 1.00 0.00 O ATOM 845 CB GLN A 57 0.910 10.189 -2.601 1.00 0.00 C ATOM 846 CG GLN A 57 -0.027 10.876 -1.605 1.00 0.00 C ATOM 847 CD GLN A 57 -0.711 12.087 -2.241 1.00 0.00 C ATOM 848 OE1 GLN A 57 -0.614 13.202 -1.523 1.00 0.00 O flip ATOM 849 NE2 GLN A 57 -1.288 12.014 -3.314 1.00 0.00 N flip ATOM 0 H GLN A 57 2.959 10.579 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 57 0.997 8.497 -1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.602 10.920 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.331 9.787 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.780 10.167 -1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.538 11.192 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.325 11.126 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.733 12.841 -3.711 1.00 0.00 H new ATOM 858 N HIS A 58 3.207 8.657 -3.761 1.00 0.00 N ATOM 859 CA HIS A 58 3.861 7.874 -4.796 1.00 0.00 C ATOM 860 C HIS A 58 4.377 6.563 -4.199 1.00 0.00 C ATOM 861 O HIS A 58 4.042 5.482 -4.682 1.00 0.00 O ATOM 862 CB HIS A 58 4.961 8.688 -5.479 1.00 0.00 C ATOM 863 CG HIS A 58 5.931 7.856 -6.284 1.00 0.00 C ATOM 864 ND1 HIS A 58 7.264 7.624 -6.110 1.00 0.00 N flip ATOM 865 CD2 HIS A 58 5.556 7.151 -7.414 1.00 0.00 C flip ATOM 866 CE1 HIS A 58 7.680 6.821 -7.081 1.00 0.00 C flip ATOM 867 NE2 HIS A 58 6.623 6.526 -7.891 1.00 0.00 N flip ATOM 0 H HIS A 58 3.509 9.630 -3.707 1.00 0.00 H new ATOM 0 HA HIS A 58 3.141 7.620 -5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.499 9.425 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.515 9.240 -4.720 1.00 0.00 H new ATOM 0 HD1 HIS A 58 7.843 8.003 -5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.562 7.116 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.690 6.460 -7.209 1.00 0.00 H new ATOM 875 N SER A 59 5.183 6.702 -3.157 1.00 0.00 N ATOM 876 CA SER A 59 5.749 5.542 -2.489 1.00 0.00 C ATOM 877 C SER A 59 4.678 4.463 -2.316 1.00 0.00 C ATOM 878 O SER A 59 4.862 3.326 -2.748 1.00 0.00 O ATOM 879 CB SER A 59 6.342 5.924 -1.131 1.00 0.00 C ATOM 880 OG SER A 59 7.633 5.354 -0.933 1.00 0.00 O ATOM 0 H SER A 59 5.458 7.600 -2.759 1.00 0.00 H new ATOM 0 HA SER A 59 6.554 5.149 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.410 7.009 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.673 5.592 -0.337 1.00 0.00 H new ATOM 0 HG SER A 59 7.978 5.623 -0.056 1.00 0.00 H new ATOM 886 N THR A 60 3.582 4.858 -1.685 1.00 0.00 N ATOM 887 CA THR A 60 2.482 3.939 -1.450 1.00 0.00 C ATOM 888 C THR A 60 1.890 3.465 -2.779 1.00 0.00 C ATOM 889 O THR A 60 1.711 2.267 -2.991 1.00 0.00 O ATOM 890 CB THR A 60 1.465 4.640 -0.547 1.00 0.00 C ATOM 891 OG1 THR A 60 2.165 4.835 0.678 1.00 0.00 O ATOM 892 CG2 THR A 60 0.294 3.730 -0.168 1.00 0.00 C ATOM 0 H THR A 60 3.432 5.802 -1.329 1.00 0.00 H new ATOM 0 HA THR A 60 2.822 3.037 -0.942 1.00 0.00 H new ATOM 0 HB THR A 60 1.085 5.529 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.439 3.967 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.398 4.276 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.224 3.409 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.670 2.856 0.365 1.00 0.00 H new ATOM 900 N ASN A 61 1.602 4.431 -3.640 1.00 0.00 N ATOM 901 CA ASN A 61 1.034 4.127 -4.942 1.00 0.00 C ATOM 902 C ASN A 61 1.740 2.903 -5.529 1.00 0.00 C ATOM 903 O ASN A 61 1.097 1.903 -5.843 1.00 0.00 O ATOM 904 CB ASN A 61 1.227 5.295 -5.912 1.00 0.00 C ATOM 905 CG ASN A 61 -0.121 5.874 -6.347 1.00 0.00 C ATOM 906 OD1 ASN A 61 -0.847 5.298 -7.140 1.00 0.00 O ATOM 907 ND2 ASN A 61 -0.413 7.044 -5.786 1.00 0.00 N ATOM 0 H ASN A 61 1.752 5.424 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.032 3.939 -4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.825 6.073 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.782 4.958 -6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.290 7.513 -6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.240 7.472 -5.129 1.00 0.00 H new ATOM 914 N GLN A 62 3.053 3.024 -5.660 1.00 0.00 N ATOM 915 CA GLN A 62 3.853 1.940 -6.204 1.00 0.00 C ATOM 916 C GLN A 62 3.705 0.685 -5.340 1.00 0.00 C ATOM 917 O GLN A 62 3.326 -0.374 -5.837 1.00 0.00 O ATOM 918 CB GLN A 62 5.322 2.350 -6.327 1.00 0.00 C ATOM 919 CG GLN A 62 5.464 3.644 -7.132 1.00 0.00 C ATOM 920 CD GLN A 62 5.692 3.345 -8.615 1.00 0.00 C ATOM 921 OE1 GLN A 62 6.298 2.355 -8.989 1.00 0.00 O ATOM 922 NE2 GLN A 62 5.173 4.253 -9.436 1.00 0.00 N ATOM 0 H GLN A 62 3.582 3.856 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 62 3.488 1.713 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.750 2.486 -5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.887 1.553 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.566 4.251 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.297 4.229 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.677 5.059 -9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.271 4.143 -10.445 1.00 0.00 H new ATOM 931 N LEU A 63 4.012 0.847 -4.061 1.00 0.00 N ATOM 932 CA LEU A 63 3.918 -0.259 -3.124 1.00 0.00 C ATOM 933 C LEU A 63 2.688 -1.104 -3.460 1.00 0.00 C ATOM 934 O LEU A 63 2.766 -2.331 -3.504 1.00 0.00 O ATOM 935 CB LEU A 63 3.935 0.257 -1.683 1.00 0.00 C ATOM 936 CG LEU A 63 5.279 0.174 -0.957 1.00 0.00 C ATOM 937 CD1 LEU A 63 5.231 0.931 0.372 1.00 0.00 C ATOM 938 CD2 LEU A 63 5.714 -1.281 -0.772 1.00 0.00 C ATOM 0 H LEU A 63 4.326 1.727 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 63 4.787 -0.911 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.610 1.297 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.199 -0.305 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 63 6.033 0.659 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.199 0.857 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.999 1.979 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.461 0.497 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.672 -1.311 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.966 -1.812 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.814 -1.758 -1.747 1.00 0.00 H new ATOM 950 N ALA A 64 1.580 -0.414 -3.689 1.00 0.00 N ATOM 951 CA ALA A 64 0.335 -1.086 -4.021 1.00 0.00 C ATOM 952 C ALA A 64 0.496 -1.821 -5.353 1.00 0.00 C ATOM 953 O ALA A 64 0.187 -3.008 -5.452 1.00 0.00 O ATOM 954 CB ALA A 64 -0.803 -0.064 -4.053 1.00 0.00 C ATOM 0 H ALA A 64 1.519 0.603 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 64 0.086 -1.829 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.737 -0.567 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.895 0.409 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.589 0.696 -4.805 1.00 0.00 H new ATOM 960 N LYS A 65 0.980 -1.086 -6.343 1.00 0.00 N ATOM 961 CA LYS A 65 1.185 -1.653 -7.665 1.00 0.00 C ATOM 962 C LYS A 65 1.974 -2.958 -7.538 1.00 0.00 C ATOM 963 O LYS A 65 1.822 -3.862 -8.358 1.00 0.00 O ATOM 964 CB LYS A 65 1.839 -0.627 -8.593 1.00 0.00 C ATOM 965 CG LYS A 65 0.949 0.606 -8.760 1.00 0.00 C ATOM 966 CD LYS A 65 1.681 1.710 -9.525 1.00 0.00 C ATOM 967 CE LYS A 65 1.249 3.095 -9.037 1.00 0.00 C ATOM 968 NZ LYS A 65 1.864 4.153 -9.868 1.00 0.00 N ATOM 0 H LYS A 65 1.236 -0.103 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 65 0.229 -1.901 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.806 -0.330 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.026 -1.079 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.038 0.332 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.647 0.976 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.757 1.594 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.476 1.616 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.163 3.179 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.541 3.227 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.006 5.008 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.782 3.822 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.237 4.374 -10.668 1.00 0.00 H new ATOM 982 N GLU A 66 2.800 -3.014 -6.504 1.00 0.00 N ATOM 983 CA GLU A 66 3.614 -4.193 -6.259 1.00 0.00 C ATOM 984 C GLU A 66 2.782 -5.279 -5.573 1.00 0.00 C ATOM 985 O GLU A 66 2.717 -6.411 -6.050 1.00 0.00 O ATOM 986 CB GLU A 66 4.850 -3.844 -5.429 1.00 0.00 C ATOM 987 CG GLU A 66 5.736 -2.836 -6.163 1.00 0.00 C ATOM 988 CD GLU A 66 7.215 -3.078 -5.854 1.00 0.00 C ATOM 989 OE1 GLU A 66 7.663 -2.584 -4.797 1.00 0.00 O ATOM 990 OE2 GLU A 66 7.865 -3.753 -6.682 1.00 0.00 O ATOM 0 H GLU A 66 2.923 -2.262 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 66 3.959 -4.578 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.543 -3.431 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.420 -4.749 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.568 -2.913 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.461 -1.823 -5.869 1.00 0.00 H new ATOM 997 N THR A 67 2.165 -4.895 -4.464 1.00 0.00 N ATOM 998 CA THR A 67 1.340 -5.822 -3.708 1.00 0.00 C ATOM 999 C THR A 67 0.383 -6.567 -4.641 1.00 0.00 C ATOM 1000 O THR A 67 0.166 -7.768 -4.482 1.00 0.00 O ATOM 1001 CB THR A 67 0.626 -5.031 -2.610 1.00 0.00 C ATOM 1002 OG1 THR A 67 1.585 -4.060 -2.201 1.00 0.00 O ATOM 1003 CG2 THR A 67 0.380 -5.866 -1.352 1.00 0.00 C ATOM 0 H THR A 67 2.220 -3.955 -4.072 1.00 0.00 H new ATOM 0 HA THR A 67 1.945 -6.593 -3.232 1.00 0.00 H new ATOM 0 HB THR A 67 -0.326 -4.660 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.489 -3.254 -2.750 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.129 -5.257 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.240 -6.727 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.334 -6.210 -0.951 1.00 0.00 H new ATOM 1011 N ASN A 68 -0.163 -5.825 -5.593 1.00 0.00 N ATOM 1012 CA ASN A 68 -1.091 -6.401 -6.551 1.00 0.00 C ATOM 1013 C ASN A 68 -0.360 -7.441 -7.401 1.00 0.00 C ATOM 1014 O ASN A 68 -0.879 -8.531 -7.638 1.00 0.00 O ATOM 1015 CB ASN A 68 -1.648 -5.329 -7.490 1.00 0.00 C ATOM 1016 CG ASN A 68 -3.050 -5.702 -7.977 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -3.802 -6.394 -7.312 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -3.357 -5.206 -9.172 1.00 0.00 N ATOM 0 H ASN A 68 0.020 -4.830 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.911 -6.855 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.682 -4.370 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.982 -5.208 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.270 -5.398 -9.585 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.680 -4.633 -9.676 1.00 0.00 H new ATOM 1025 N GLU A 69 0.835 -7.069 -7.837 1.00 0.00 N ATOM 1026 CA GLU A 69 1.643 -7.956 -8.656 1.00 0.00 C ATOM 1027 C GLU A 69 2.030 -9.205 -7.862 1.00 0.00 C ATOM 1028 O GLU A 69 2.039 -10.310 -8.402 1.00 0.00 O ATOM 1029 CB GLU A 69 2.884 -7.235 -9.185 1.00 0.00 C ATOM 1030 CG GLU A 69 2.640 -6.681 -10.589 1.00 0.00 C ATOM 1031 CD GLU A 69 3.274 -7.581 -11.652 1.00 0.00 C ATOM 1032 OE1 GLU A 69 4.523 -7.613 -11.697 1.00 0.00 O ATOM 1033 OE2 GLU A 69 2.496 -8.216 -12.396 1.00 0.00 O ATOM 0 H GLU A 69 1.263 -6.165 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 69 1.050 -8.266 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.151 -6.421 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.729 -7.924 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.568 -6.598 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.055 -5.676 -10.664 1.00 0.00 H new ATOM 1040 N LEU A 70 2.341 -8.988 -6.593 1.00 0.00 N ATOM 1041 CA LEU A 70 2.728 -10.082 -5.719 1.00 0.00 C ATOM 1042 C LEU A 70 1.503 -10.951 -5.424 1.00 0.00 C ATOM 1043 O LEU A 70 1.557 -12.172 -5.559 1.00 0.00 O ATOM 1044 CB LEU A 70 3.419 -9.547 -4.463 1.00 0.00 C ATOM 1045 CG LEU A 70 4.723 -8.780 -4.691 1.00 0.00 C ATOM 1046 CD1 LEU A 70 5.167 -8.063 -3.415 1.00 0.00 C ATOM 1047 CD2 LEU A 70 5.813 -9.703 -5.239 1.00 0.00 C ATOM 0 H LEU A 70 2.333 -8.070 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 70 3.462 -10.720 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.722 -8.892 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.626 -10.387 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 70 4.542 -8.014 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.096 -7.526 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.396 -7.357 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.326 -8.795 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.729 -9.133 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.000 -10.507 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.487 -10.128 -6.188 1.00 0.00 H new ATOM 1059 N LEU A 71 0.428 -10.287 -5.025 1.00 0.00 N ATOM 1060 CA LEU A 71 -0.807 -10.983 -4.710 1.00 0.00 C ATOM 1061 C LEU A 71 -1.209 -11.863 -5.895 1.00 0.00 C ATOM 1062 O LEU A 71 -1.980 -12.808 -5.738 1.00 0.00 O ATOM 1063 CB LEU A 71 -1.890 -9.988 -4.288 1.00 0.00 C ATOM 1064 CG LEU A 71 -1.740 -9.387 -2.889 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -2.721 -8.231 -2.681 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -1.886 -10.463 -1.811 1.00 0.00 C ATOM 0 H LEU A 71 0.387 -9.274 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.664 -11.645 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.909 -9.173 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.857 -10.488 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.734 -8.976 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.594 -7.822 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.527 -7.452 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.742 -8.595 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.775 -10.009 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.870 -10.925 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.117 -11.223 -1.949 1.00 0.00 H new ATOM 1078 N LYS A 72 -0.667 -11.522 -7.055 1.00 0.00 N ATOM 1079 CA LYS A 72 -0.959 -12.269 -8.266 1.00 0.00 C ATOM 1080 C LYS A 72 0.061 -13.400 -8.421 1.00 0.00 C ATOM 1081 O LYS A 72 -0.269 -14.472 -8.925 1.00 0.00 O ATOM 1082 CB LYS A 72 -1.024 -11.330 -9.473 1.00 0.00 C ATOM 1083 CG LYS A 72 -2.289 -10.471 -9.431 1.00 0.00 C ATOM 1084 CD LYS A 72 -2.062 -9.127 -10.127 1.00 0.00 C ATOM 1085 CE LYS A 72 -2.158 -9.274 -11.647 1.00 0.00 C ATOM 1086 NZ LYS A 72 -0.882 -9.781 -12.200 1.00 0.00 N ATOM 0 H LYS A 72 -0.027 -10.738 -7.182 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.943 -12.733 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.144 -10.687 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.006 -11.913 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.109 -11.001 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.585 -10.303 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.801 -8.405 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.082 -8.735 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.969 -9.957 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.399 -8.311 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.592 -9.189 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.148 -9.749 -11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.008 -10.762 -12.521 1.00 0.00 H new ATOM 1100 N GLU A 73 1.278 -13.121 -7.978 1.00 0.00 N ATOM 1101 CA GLU A 73 2.347 -14.101 -8.062 1.00 0.00 C ATOM 1102 C GLU A 73 2.227 -15.115 -6.922 1.00 0.00 C ATOM 1103 O GLU A 73 2.610 -16.274 -7.075 1.00 0.00 O ATOM 1104 CB GLU A 73 3.717 -13.420 -8.047 1.00 0.00 C ATOM 1105 CG GLU A 73 4.273 -13.336 -6.624 1.00 0.00 C ATOM 1106 CD GLU A 73 5.694 -12.769 -6.623 1.00 0.00 C ATOM 1107 OE1 GLU A 73 6.197 -12.496 -7.734 1.00 0.00 O ATOM 1108 OE2 GLU A 73 6.245 -12.621 -5.511 1.00 0.00 O ATOM 0 H GLU A 73 1.547 -12.230 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 73 2.253 -14.633 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.410 -13.975 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.634 -12.418 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.626 -12.706 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.273 -14.327 -6.171 1.00 0.00 H new ATOM 1115 N LEU A 74 1.693 -14.643 -5.806 1.00 0.00 N ATOM 1116 CA LEU A 74 1.518 -15.494 -4.641 1.00 0.00 C ATOM 1117 C LEU A 74 0.630 -16.683 -5.014 1.00 0.00 C ATOM 1118 O LEU A 74 1.095 -17.821 -5.053 1.00 0.00 O ATOM 1119 CB LEU A 74 0.992 -14.681 -3.457 1.00 0.00 C ATOM 1120 CG LEU A 74 1.776 -14.814 -2.150 1.00 0.00 C ATOM 1121 CD1 LEU A 74 1.265 -13.825 -1.101 1.00 0.00 C ATOM 1122 CD2 LEU A 74 1.751 -16.256 -1.640 1.00 0.00 C ATOM 0 H LEU A 74 1.375 -13.682 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 74 2.477 -15.900 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.976 -13.629 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.041 -14.976 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 74 2.818 -14.562 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.839 -13.941 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.379 -12.807 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.212 -14.021 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.316 -16.323 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.720 -16.561 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.200 -16.913 -2.385 1.00 0.00 H new ATOM 1134 N GLY A 75 -0.632 -16.379 -5.277 1.00 0.00 N ATOM 1135 CA GLY A 75 -1.589 -17.409 -5.645 1.00 0.00 C ATOM 1136 C GLY A 75 -1.071 -18.245 -6.817 1.00 0.00 C ATOM 1137 O GLY A 75 -1.430 -19.413 -6.957 1.00 0.00 O ATOM 0 H GLY A 75 -1.015 -15.434 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.780 -18.056 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.539 -16.948 -5.914 1.00 0.00 H new ATOM 1141 N SER A 76 -0.237 -17.613 -7.630 1.00 0.00 N ATOM 1142 CA SER A 76 0.334 -18.284 -8.786 1.00 0.00 C ATOM 1143 C SER A 76 1.105 -19.528 -8.341 1.00 0.00 C ATOM 1144 O SER A 76 0.977 -20.592 -8.945 1.00 0.00 O ATOM 1145 CB SER A 76 1.250 -17.344 -9.572 1.00 0.00 C ATOM 1146 OG SER A 76 1.140 -17.544 -10.978 1.00 0.00 O ATOM 0 H SER A 76 0.057 -16.644 -7.511 1.00 0.00 H new ATOM 0 HA SER A 76 -0.481 -18.586 -9.443 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.000 -16.310 -9.332 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.283 -17.502 -9.263 1.00 0.00 H new ATOM 0 HG SER A 76 1.739 -16.924 -11.444 1.00 0.00 H new ATOM 1152 N LEU A 77 1.890 -19.353 -7.287 1.00 0.00 N ATOM 1153 CA LEU A 77 2.682 -20.449 -6.754 1.00 0.00 C ATOM 1154 C LEU A 77 1.839 -21.725 -6.746 1.00 0.00 C ATOM 1155 O LEU A 77 0.611 -21.662 -6.734 1.00 0.00 O ATOM 1156 CB LEU A 77 3.253 -20.080 -5.384 1.00 0.00 C ATOM 1157 CG LEU A 77 4.138 -18.833 -5.339 1.00 0.00 C ATOM 1158 CD1 LEU A 77 4.429 -18.418 -3.896 1.00 0.00 C ATOM 1159 CD2 LEU A 77 5.422 -19.043 -6.145 1.00 0.00 C ATOM 0 H LEU A 77 1.994 -18.469 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 77 3.545 -20.641 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.422 -19.937 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.833 -20.926 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 77 3.594 -18.012 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.060 -17.529 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.492 -18.199 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.943 -19.229 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.033 -18.142 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.979 -19.882 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.169 -19.255 -7.184 1.00 0.00 H new ATOM 1171 N PRO A 78 2.551 -22.884 -6.752 1.00 0.00 N ATOM 1172 CA PRO A 78 1.881 -24.174 -6.745 1.00 0.00 C ATOM 1173 C PRO A 78 1.314 -24.489 -5.360 1.00 0.00 C ATOM 1174 O PRO A 78 1.567 -23.762 -4.401 1.00 0.00 O ATOM 1175 CB PRO A 78 2.939 -25.169 -7.194 1.00 0.00 C ATOM 1176 CG PRO A 78 4.277 -24.476 -6.988 1.00 0.00 C ATOM 1177 CD PRO A 78 4.006 -22.997 -6.765 1.00 0.00 C ATOM 0 HA PRO A 78 1.018 -24.204 -7.410 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.882 -26.089 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.798 -25.444 -8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.800 -24.902 -6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.919 -24.620 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.438 -22.653 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.443 -22.390 -7.558 1.00 0.00 H new ATOM 1185 N LEU A 79 0.556 -25.574 -5.299 1.00 0.00 N ATOM 1186 CA LEU A 79 -0.050 -25.995 -4.048 1.00 0.00 C ATOM 1187 C LEU A 79 0.707 -27.207 -3.501 1.00 0.00 C ATOM 1188 O LEU A 79 1.259 -27.995 -4.267 1.00 0.00 O ATOM 1189 CB LEU A 79 -1.549 -26.240 -4.234 1.00 0.00 C ATOM 1190 CG LEU A 79 -2.351 -25.076 -4.820 1.00 0.00 C ATOM 1191 CD1 LEU A 79 -3.534 -24.716 -3.918 1.00 0.00 C ATOM 1192 CD2 LEU A 79 -1.449 -23.871 -5.091 1.00 0.00 C ATOM 0 H LEU A 79 0.348 -26.175 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 79 0.031 -25.205 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.678 -27.107 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.977 -26.500 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.762 -25.392 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.087 -23.886 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.192 -25.579 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.166 -24.426 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.044 -23.058 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.989 -23.544 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.671 -24.151 -5.801 1.00 0.00 H new ATOM 1204 N PRO A 80 0.710 -27.320 -2.146 1.00 0.00 N ATOM 1205 CA PRO A 80 1.391 -28.422 -1.488 1.00 0.00 C ATOM 1206 C PRO A 80 0.595 -29.721 -1.629 1.00 0.00 C ATOM 1207 O PRO A 80 -0.573 -29.699 -2.015 1.00 0.00 O ATOM 1208 CB PRO A 80 1.552 -27.978 -0.043 1.00 0.00 C ATOM 1209 CG PRO A 80 0.550 -26.853 0.162 1.00 0.00 C ATOM 1210 CD PRO A 80 0.067 -26.405 -1.207 1.00 0.00 C ATOM 0 HA PRO A 80 2.361 -28.643 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.359 -28.803 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.569 -27.635 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.288 -27.194 0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.013 -26.022 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.019 -26.460 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.348 -25.371 -1.407 1.00 0.00 H new ATOM 1218 N LEU A 81 1.259 -30.822 -1.309 1.00 0.00 N ATOM 1219 CA LEU A 81 0.628 -32.128 -1.396 1.00 0.00 C ATOM 1220 C LEU A 81 -0.466 -32.233 -0.331 1.00 0.00 C ATOM 1221 O LEU A 81 -1.482 -32.894 -0.543 1.00 0.00 O ATOM 1222 CB LEU A 81 1.678 -33.237 -1.309 1.00 0.00 C ATOM 1223 CG LEU A 81 2.450 -33.531 -2.597 1.00 0.00 C ATOM 1224 CD1 LEU A 81 1.894 -34.772 -3.298 1.00 0.00 C ATOM 1225 CD2 LEU A 81 2.465 -32.311 -3.519 1.00 0.00 C ATOM 0 H LEU A 81 2.227 -30.837 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 81 0.144 -32.253 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.395 -32.972 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.184 -34.154 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 81 3.485 -33.747 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.460 -34.959 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.979 -35.633 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.846 -34.609 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.020 -32.548 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.442 -32.039 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.943 -31.475 -3.009 1.00 0.00 H new ATOM 1237 N SER A 82 -0.221 -31.571 0.790 1.00 0.00 N ATOM 1238 CA SER A 82 -1.173 -31.581 1.888 1.00 0.00 C ATOM 1239 C SER A 82 -2.282 -30.560 1.629 1.00 0.00 C ATOM 1240 O SER A 82 -2.018 -29.462 1.143 1.00 0.00 O ATOM 1241 CB SER A 82 -0.480 -31.286 3.220 1.00 0.00 C ATOM 1242 OG SER A 82 0.001 -32.472 3.847 1.00 0.00 O ATOM 0 H SER A 82 0.623 -31.024 0.962 1.00 0.00 H new ATOM 0 HA SER A 82 -1.613 -32.576 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.352 -30.602 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.178 -30.781 3.888 1.00 0.00 H new ATOM 0 HG SER A 82 0.438 -32.241 4.693 1.00 0.00 H new ATOM 1248 N THR A 83 -3.500 -30.960 1.965 1.00 0.00 N ATOM 1249 CA THR A 83 -4.651 -30.093 1.775 1.00 0.00 C ATOM 1250 C THR A 83 -4.777 -29.110 2.940 1.00 0.00 C ATOM 1251 O THR A 83 -5.511 -28.127 2.852 1.00 0.00 O ATOM 1252 CB THR A 83 -5.885 -30.979 1.590 1.00 0.00 C ATOM 1253 OG1 THR A 83 -5.663 -31.627 0.341 1.00 0.00 O ATOM 1254 CG2 THR A 83 -7.161 -30.166 1.367 1.00 0.00 C ATOM 0 H THR A 83 -3.715 -31.872 2.367 1.00 0.00 H new ATOM 0 HA THR A 83 -4.539 -29.477 0.883 1.00 0.00 H new ATOM 0 HB THR A 83 -6.009 -31.616 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.416 -32.223 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.006 -30.843 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.337 -29.521 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.051 -29.554 0.472 1.00 0.00 H new ATOM 1262 N SER A 84 -4.050 -29.410 4.007 1.00 0.00 N ATOM 1263 CA SER A 84 -4.071 -28.565 5.189 1.00 0.00 C ATOM 1264 C SER A 84 -3.378 -27.234 4.893 1.00 0.00 C ATOM 1265 O SER A 84 -3.828 -26.182 5.344 1.00 0.00 O ATOM 1266 CB SER A 84 -3.401 -29.261 6.375 1.00 0.00 C ATOM 1267 OG SER A 84 -3.315 -28.409 7.514 1.00 0.00 O ATOM 0 H SER A 84 -3.443 -30.227 4.077 1.00 0.00 H new ATOM 0 HA SER A 84 -5.111 -28.374 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.964 -30.158 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.401 -29.585 6.088 1.00 0.00 H new ATOM 0 HG SER A 84 -2.883 -28.890 8.250 1.00 0.00 H new ATOM 1273 N GLU A 85 -2.293 -27.323 4.138 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.533 -26.139 3.777 1.00 0.00 C ATOM 1275 C GLU A 85 -2.225 -25.391 2.635 1.00 0.00 C ATOM 1276 O GLU A 85 -2.092 -24.174 2.515 1.00 0.00 O ATOM 1277 CB GLU A 85 -0.095 -26.503 3.401 1.00 0.00 C ATOM 1278 CG GLU A 85 0.740 -26.797 4.649 1.00 0.00 C ATOM 1279 CD GLU A 85 0.686 -25.627 5.633 1.00 0.00 C ATOM 1280 OE1 GLU A 85 0.640 -24.477 5.145 1.00 0.00 O ATOM 1281 OE2 GLU A 85 0.693 -25.909 6.851 1.00 0.00 O ATOM 0 H GLU A 85 -1.922 -28.197 3.766 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.491 -25.480 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.096 -27.374 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.357 -25.684 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.371 -27.701 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.774 -26.988 4.362 1.00 0.00 H new ATOM 1288 N GLN A 86 -2.948 -26.151 1.826 1.00 0.00 N ATOM 1289 CA GLN A 86 -3.661 -25.576 0.698 1.00 0.00 C ATOM 1290 C GLN A 86 -4.551 -24.423 1.165 1.00 0.00 C ATOM 1291 O GLN A 86 -4.382 -23.286 0.727 1.00 0.00 O ATOM 1292 CB GLN A 86 -4.482 -26.641 -0.033 1.00 0.00 C ATOM 1293 CG GLN A 86 -3.599 -27.462 -0.975 1.00 0.00 C ATOM 1294 CD GLN A 86 -4.315 -28.738 -1.423 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -5.451 -28.719 -1.869 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -3.590 -29.844 -1.281 1.00 0.00 N ATOM 0 H GLN A 86 -3.055 -27.160 1.929 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.929 -25.182 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.957 -27.301 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.281 -26.164 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.336 -26.863 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.667 -27.721 -0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.645 -29.789 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.979 -30.747 -1.552 1.00 0.00 H new ATOM 1305 N ARG A 87 -5.481 -24.755 2.049 1.00 0.00 N ATOM 1306 CA ARG A 87 -6.398 -23.761 2.580 1.00 0.00 C ATOM 1307 C ARG A 87 -5.625 -22.669 3.322 1.00 0.00 C ATOM 1308 O ARG A 87 -5.870 -21.481 3.115 1.00 0.00 O ATOM 1309 CB ARG A 87 -7.409 -24.400 3.535 1.00 0.00 C ATOM 1310 CG ARG A 87 -6.702 -25.055 4.723 1.00 0.00 C ATOM 1311 CD ARG A 87 -7.641 -26.012 5.460 1.00 0.00 C ATOM 1312 NE ARG A 87 -8.429 -25.271 6.470 1.00 0.00 N ATOM 1313 CZ ARG A 87 -9.384 -25.823 7.231 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -9.675 -27.124 7.102 1.00 0.00 N ATOM 1315 NH2 ARG A 87 -10.048 -25.073 8.121 1.00 0.00 N ATOM 0 H ARG A 87 -5.619 -25.699 2.411 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.936 -23.323 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.105 -23.642 3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.998 -25.146 3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.824 -25.598 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.349 -24.286 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.310 -26.497 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.064 -26.800 5.944 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.233 -24.278 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.170 -27.695 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.402 -27.544 7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.827 -24.082 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.775 -25.493 8.700 1.00 0.00 H new ATOM 1329 N GLN A 88 -4.708 -23.109 4.170 1.00 0.00 N ATOM 1330 CA GLN A 88 -3.898 -22.183 4.943 1.00 0.00 C ATOM 1331 C GLN A 88 -3.181 -21.201 4.014 1.00 0.00 C ATOM 1332 O GLN A 88 -2.834 -20.094 4.423 1.00 0.00 O ATOM 1333 CB GLN A 88 -2.897 -22.934 5.824 1.00 0.00 C ATOM 1334 CG GLN A 88 -3.617 -23.748 6.901 1.00 0.00 C ATOM 1335 CD GLN A 88 -4.123 -22.841 8.025 1.00 0.00 C ATOM 1336 OE1 GLN A 88 -3.696 -21.710 8.186 1.00 0.00 O ATOM 1337 NE2 GLN A 88 -5.056 -23.400 8.792 1.00 0.00 N ATOM 0 H GLN A 88 -4.508 -24.095 4.339 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.557 -21.616 5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.290 -23.597 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.217 -22.224 6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.455 -24.285 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.939 -24.497 7.310 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.369 -24.352 8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.458 -22.876 9.570 1.00 0.00 H new ATOM 1346 N GLN A 89 -2.981 -21.642 2.780 1.00 0.00 N ATOM 1347 CA GLN A 89 -2.312 -20.816 1.790 1.00 0.00 C ATOM 1348 C GLN A 89 -3.259 -19.727 1.280 1.00 0.00 C ATOM 1349 O GLN A 89 -2.987 -18.538 1.439 1.00 0.00 O ATOM 1350 CB GLN A 89 -1.781 -21.666 0.634 1.00 0.00 C ATOM 1351 CG GLN A 89 -0.265 -21.842 0.735 1.00 0.00 C ATOM 1352 CD GLN A 89 0.337 -22.198 -0.626 1.00 0.00 C ATOM 1353 OE1 GLN A 89 -0.344 -22.269 -1.636 1.00 0.00 O ATOM 1354 NE2 GLN A 89 1.648 -22.419 -0.597 1.00 0.00 N ATOM 0 H GLN A 89 -3.271 -22.560 2.444 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.457 -20.334 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.266 -22.642 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.034 -21.194 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.187 -20.923 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.033 -22.626 1.456 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.159 -22.343 0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.143 -22.665 -1.454 1.00 0.00 H new ATOM 1363 N ARG A 90 -4.351 -20.173 0.677 1.00 0.00 N ATOM 1364 CA ARG A 90 -5.340 -19.252 0.142 1.00 0.00 C ATOM 1365 C ARG A 90 -5.899 -18.367 1.258 1.00 0.00 C ATOM 1366 O ARG A 90 -6.186 -17.192 1.038 1.00 0.00 O ATOM 1367 CB ARG A 90 -6.491 -20.006 -0.526 1.00 0.00 C ATOM 1368 CG ARG A 90 -7.170 -20.958 0.461 1.00 0.00 C ATOM 1369 CD ARG A 90 -8.151 -21.885 -0.258 1.00 0.00 C ATOM 1370 NE ARG A 90 -9.513 -21.306 -0.222 1.00 0.00 N ATOM 1371 CZ ARG A 90 -10.617 -21.958 -0.612 1.00 0.00 C ATOM 1372 NH1 ARG A 90 -10.527 -23.214 -1.069 1.00 0.00 N ATOM 1373 NH2 ARG A 90 -11.811 -21.353 -0.545 1.00 0.00 N ATOM 0 H ARG A 90 -4.573 -21.160 0.547 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.845 -18.632 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.221 -19.294 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.114 -20.570 -1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.415 -21.551 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.698 -20.383 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.836 -22.031 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.151 -22.866 0.216 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.618 -20.351 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.618 -23.674 -1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.367 -23.710 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.879 -20.397 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.651 -21.849 -0.842 1.00 0.00 H new ATOM 1387 N LEU A 91 -6.036 -18.966 2.432 1.00 0.00 N ATOM 1388 CA LEU A 91 -6.556 -18.248 3.583 1.00 0.00 C ATOM 1389 C LEU A 91 -5.697 -17.007 3.835 1.00 0.00 C ATOM 1390 O LEU A 91 -6.215 -15.895 3.918 1.00 0.00 O ATOM 1391 CB LEU A 91 -6.662 -19.178 4.793 1.00 0.00 C ATOM 1392 CG LEU A 91 -7.854 -20.138 4.798 1.00 0.00 C ATOM 1393 CD1 LEU A 91 -7.802 -21.070 6.010 1.00 0.00 C ATOM 1394 CD2 LEU A 91 -9.176 -19.372 4.720 1.00 0.00 C ATOM 0 H LEU A 91 -5.796 -19.941 2.611 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.571 -17.901 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.747 -19.766 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.710 -18.566 5.694 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.792 -20.764 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.660 -21.742 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.883 -21.655 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.826 -20.478 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.006 -20.078 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.261 -18.705 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.203 -18.786 3.801 1.00 0.00 H new ATOM 1406 N GLN A 92 -4.397 -17.240 3.949 1.00 0.00 N ATOM 1407 CA GLN A 92 -3.461 -16.155 4.190 1.00 0.00 C ATOM 1408 C GLN A 92 -3.621 -15.070 3.124 1.00 0.00 C ATOM 1409 O GLN A 92 -3.877 -13.911 3.446 1.00 0.00 O ATOM 1410 CB GLN A 92 -2.022 -16.673 4.233 1.00 0.00 C ATOM 1411 CG GLN A 92 -1.726 -17.359 5.569 1.00 0.00 C ATOM 1412 CD GLN A 92 -1.508 -16.328 6.678 1.00 0.00 C ATOM 1413 OE1 GLN A 92 -2.391 -16.028 7.465 1.00 0.00 O ATOM 1414 NE2 GLN A 92 -0.285 -15.805 6.698 1.00 0.00 N ATOM 0 H GLN A 92 -3.970 -18.164 3.879 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.684 -15.717 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.860 -17.376 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.329 -15.845 4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.554 -18.016 5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.840 -17.986 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.407 -16.100 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.040 -15.109 7.402 1.00 0.00 H new ATOM 1423 N LYS A 93 -3.463 -15.483 1.875 1.00 0.00 N ATOM 1424 CA LYS A 93 -3.587 -14.561 0.759 1.00 0.00 C ATOM 1425 C LYS A 93 -4.919 -13.816 0.865 1.00 0.00 C ATOM 1426 O LYS A 93 -4.945 -12.587 0.923 1.00 0.00 O ATOM 1427 CB LYS A 93 -3.397 -15.297 -0.568 1.00 0.00 C ATOM 1428 CG LYS A 93 -2.474 -14.512 -1.503 1.00 0.00 C ATOM 1429 CD LYS A 93 -2.842 -14.755 -2.968 1.00 0.00 C ATOM 1430 CE LYS A 93 -4.050 -13.911 -3.377 1.00 0.00 C ATOM 1431 NZ LYS A 93 -5.265 -14.752 -3.463 1.00 0.00 N ATOM 0 H LYS A 93 -3.250 -16.445 1.611 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.798 -13.810 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.977 -16.286 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.365 -15.446 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.543 -13.448 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.439 -14.807 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.992 -14.512 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.063 -15.811 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.205 -13.112 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.860 -13.436 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.073 -14.237 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.461 -14.978 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.116 -15.633 -2.931 1.00 0.00 H new ATOM 1445 N GLU A 94 -5.994 -14.591 0.886 1.00 0.00 N ATOM 1446 CA GLU A 94 -7.327 -14.020 0.983 1.00 0.00 C ATOM 1447 C GLU A 94 -7.338 -12.867 1.989 1.00 0.00 C ATOM 1448 O GLU A 94 -7.783 -11.765 1.670 1.00 0.00 O ATOM 1449 CB GLU A 94 -8.354 -15.088 1.362 1.00 0.00 C ATOM 1450 CG GLU A 94 -8.656 -16.004 0.175 1.00 0.00 C ATOM 1451 CD GLU A 94 -9.730 -15.395 -0.729 1.00 0.00 C ATOM 1452 OE1 GLU A 94 -9.547 -14.221 -1.117 1.00 0.00 O ATOM 1453 OE2 GLU A 94 -10.710 -16.117 -1.012 1.00 0.00 O ATOM 0 H GLU A 94 -5.969 -15.610 0.837 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.605 -13.626 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.977 -15.680 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.273 -14.610 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.745 -16.173 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.989 -16.977 0.537 1.00 0.00 H new ATOM 1460 N ARG A 95 -6.843 -13.160 3.182 1.00 0.00 N ATOM 1461 CA ARG A 95 -6.791 -12.161 4.237 1.00 0.00 C ATOM 1462 C ARG A 95 -5.916 -10.981 3.807 1.00 0.00 C ATOM 1463 O ARG A 95 -6.283 -9.825 4.012 1.00 0.00 O ATOM 1464 CB ARG A 95 -6.233 -12.756 5.531 1.00 0.00 C ATOM 1465 CG ARG A 95 -7.318 -12.844 6.606 1.00 0.00 C ATOM 1466 CD ARG A 95 -7.880 -14.264 6.703 1.00 0.00 C ATOM 1467 NE ARG A 95 -7.412 -14.910 7.950 1.00 0.00 N ATOM 1468 CZ ARG A 95 -8.010 -14.766 9.140 1.00 0.00 C ATOM 1469 NH1 ARG A 95 -9.103 -13.999 9.253 1.00 0.00 N ATOM 1470 NH2 ARG A 95 -7.515 -15.390 10.218 1.00 0.00 N ATOM 0 H ARG A 95 -6.474 -14.075 3.442 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.809 -11.816 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.829 -13.749 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.408 -12.142 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.905 -12.546 7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.122 -12.146 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.969 -14.235 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.563 -14.849 5.840 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.583 -15.502 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.480 -13.524 8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.558 -13.890 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.683 -15.974 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.970 -15.281 11.124 1.00 0.00 H new ATOM 1484 N LEU A 96 -4.776 -11.314 3.219 1.00 0.00 N ATOM 1485 CA LEU A 96 -3.847 -10.296 2.759 1.00 0.00 C ATOM 1486 C LEU A 96 -4.531 -9.427 1.703 1.00 0.00 C ATOM 1487 O LEU A 96 -4.281 -8.225 1.626 1.00 0.00 O ATOM 1488 CB LEU A 96 -2.545 -10.939 2.277 1.00 0.00 C ATOM 1489 CG LEU A 96 -1.596 -11.434 3.371 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -1.105 -12.852 3.070 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -0.436 -10.457 3.573 1.00 0.00 C ATOM 0 H LEU A 96 -4.475 -12.274 3.051 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.566 -9.637 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.796 -11.782 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.012 -10.215 1.661 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.149 -11.477 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.432 -13.180 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.958 -13.528 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.574 -12.859 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.224 -10.832 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.124 -10.359 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.828 -9.483 3.865 1.00 0.00 H new ATOM 1503 N MET A 97 -5.382 -10.068 0.916 1.00 0.00 N ATOM 1504 CA MET A 97 -6.105 -9.367 -0.133 1.00 0.00 C ATOM 1505 C MET A 97 -7.139 -8.408 0.460 1.00 0.00 C ATOM 1506 O MET A 97 -7.345 -7.313 -0.060 1.00 0.00 O ATOM 1507 CB MET A 97 -6.809 -10.384 -1.034 1.00 0.00 C ATOM 1508 CG MET A 97 -5.800 -11.340 -1.674 1.00 0.00 C ATOM 1509 SD MET A 97 -6.276 -11.691 -3.359 1.00 0.00 S ATOM 1510 CE MET A 97 -5.766 -10.172 -4.147 1.00 0.00 C ATOM 0 H MET A 97 -5.588 -11.065 0.983 1.00 0.00 H new ATOM 0 HA MET A 97 -5.390 -8.785 -0.715 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.534 -10.952 -0.451 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.365 -9.862 -1.813 1.00 0.00 H new ATOM 0 HG2 MET A 97 -4.804 -10.898 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.750 -12.266 -1.101 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.579 -9.793 -4.767 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.515 -9.433 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.892 -10.361 -4.770 1.00 0.00 H new ATOM 1520 N ASN A 98 -7.761 -8.855 1.541 1.00 0.00 N ATOM 1521 CA ASN A 98 -8.769 -8.050 2.211 1.00 0.00 C ATOM 1522 C ASN A 98 -8.080 -6.956 3.030 1.00 0.00 C ATOM 1523 O ASN A 98 -8.417 -5.779 2.908 1.00 0.00 O ATOM 1524 CB ASN A 98 -9.606 -8.900 3.168 1.00 0.00 C ATOM 1525 CG ASN A 98 -11.078 -8.910 2.748 1.00 0.00 C ATOM 1526 OD1 ASN A 98 -11.955 -8.440 3.454 1.00 0.00 O ATOM 1527 ND2 ASN A 98 -11.297 -9.470 1.562 1.00 0.00 N ATOM 0 H ASN A 98 -7.587 -9.764 1.970 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.419 -7.620 1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.222 -9.920 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.516 -8.509 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.246 -9.525 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.516 -9.844 1.023 1.00 0.00 H new ATOM 1534 N ASP A 99 -7.128 -7.384 3.846 1.00 0.00 N ATOM 1535 CA ASP A 99 -6.389 -6.455 4.685 1.00 0.00 C ATOM 1536 C ASP A 99 -5.763 -5.370 3.808 1.00 0.00 C ATOM 1537 O ASP A 99 -5.732 -4.200 4.188 1.00 0.00 O ATOM 1538 CB ASP A 99 -5.260 -7.168 5.433 1.00 0.00 C ATOM 1539 CG ASP A 99 -5.717 -8.110 6.548 1.00 0.00 C ATOM 1540 OD1 ASP A 99 -6.623 -8.925 6.267 1.00 0.00 O ATOM 1541 OD2 ASP A 99 -5.151 -7.994 7.657 1.00 0.00 O ATOM 0 H ASP A 99 -6.851 -8.361 3.944 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.084 -6.025 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.672 -7.739 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.597 -6.416 5.862 1.00 0.00 H new ATOM 1546 N PHE A 100 -5.279 -5.795 2.650 1.00 0.00 N ATOM 1547 CA PHE A 100 -4.656 -4.873 1.716 1.00 0.00 C ATOM 1548 C PHE A 100 -5.663 -3.837 1.213 1.00 0.00 C ATOM 1549 O PHE A 100 -5.312 -2.677 1.002 1.00 0.00 O ATOM 1550 CB PHE A 100 -4.162 -5.704 0.529 1.00 0.00 C ATOM 1551 CG PHE A 100 -3.812 -4.876 -0.708 1.00 0.00 C ATOM 1552 CD1 PHE A 100 -2.783 -3.988 -0.664 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -4.531 -5.027 -1.853 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -2.458 -3.219 -1.812 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -4.206 -4.258 -3.002 1.00 0.00 C ATOM 1556 CZ PHE A 100 -3.177 -3.370 -2.957 1.00 0.00 C ATOM 0 H PHE A 100 -5.306 -6.766 2.338 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.842 -4.340 2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.282 -6.269 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.930 -6.430 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.213 -3.868 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.349 -5.732 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.640 -2.514 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.776 -4.378 -3.911 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.931 -2.785 -3.830 1.00 0.00 H new ATOM 1566 N SER A 101 -6.894 -4.293 1.036 1.00 0.00 N ATOM 1567 CA SER A 101 -7.955 -3.420 0.562 1.00 0.00 C ATOM 1568 C SER A 101 -8.188 -2.288 1.565 1.00 0.00 C ATOM 1569 O SER A 101 -8.112 -1.113 1.209 1.00 0.00 O ATOM 1570 CB SER A 101 -9.250 -4.201 0.333 1.00 0.00 C ATOM 1571 OG SER A 101 -10.389 -3.504 0.832 1.00 0.00 O ATOM 0 H SER A 101 -7.181 -5.256 1.212 1.00 0.00 H new ATOM 0 HA SER A 101 -7.646 -2.994 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.377 -4.387 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.178 -5.173 0.820 1.00 0.00 H new ATOM 0 HG SER A 101 -11.196 -4.034 0.665 1.00 0.00 H new ATOM 1577 N ALA A 102 -8.467 -2.682 2.799 1.00 0.00 N ATOM 1578 CA ALA A 102 -8.711 -1.715 3.855 1.00 0.00 C ATOM 1579 C ALA A 102 -7.599 -0.664 3.847 1.00 0.00 C ATOM 1580 O ALA A 102 -7.861 0.524 4.033 1.00 0.00 O ATOM 1581 CB ALA A 102 -8.817 -2.441 5.198 1.00 0.00 C ATOM 0 H ALA A 102 -8.529 -3.657 3.091 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.655 -1.197 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.000 -1.715 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.640 -3.154 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.886 -2.971 5.399 1.00 0.00 H new ATOM 1587 N ALA A 103 -6.382 -1.139 3.629 1.00 0.00 N ATOM 1588 CA ALA A 103 -5.229 -0.255 3.594 1.00 0.00 C ATOM 1589 C ALA A 103 -5.249 0.550 2.293 1.00 0.00 C ATOM 1590 O ALA A 103 -4.743 1.671 2.245 1.00 0.00 O ATOM 1591 CB ALA A 103 -3.949 -1.079 3.750 1.00 0.00 C ATOM 0 H ALA A 103 -6.169 -2.124 3.475 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.263 0.454 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.084 -0.416 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.971 -1.609 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.879 -1.800 2.935 1.00 0.00 H new ATOM 1597 N LEU A 104 -5.838 -0.052 1.271 1.00 0.00 N ATOM 1598 CA LEU A 104 -5.931 0.596 -0.027 1.00 0.00 C ATOM 1599 C LEU A 104 -6.945 1.739 0.050 1.00 0.00 C ATOM 1600 O LEU A 104 -6.586 2.904 -0.115 1.00 0.00 O ATOM 1601 CB LEU A 104 -6.242 -0.431 -1.117 1.00 0.00 C ATOM 1602 CG LEU A 104 -6.826 0.127 -2.417 1.00 0.00 C ATOM 1603 CD1 LEU A 104 -5.752 0.849 -3.234 1.00 0.00 C ATOM 1604 CD2 LEU A 104 -7.517 -0.974 -3.224 1.00 0.00 C ATOM 0 H LEU A 104 -6.256 -0.981 1.315 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.973 1.038 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.324 -0.968 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.942 -1.161 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.587 0.865 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.193 1.236 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.345 1.675 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.952 0.151 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.923 -0.551 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.795 -1.752 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.326 -1.404 -2.634 1.00 0.00 H new ATOM 1616 N ASN A 105 -8.192 1.365 0.299 1.00 0.00 N ATOM 1617 CA ASN A 105 -9.260 2.345 0.399 1.00 0.00 C ATOM 1618 C ASN A 105 -8.774 3.542 1.217 1.00 0.00 C ATOM 1619 O ASN A 105 -9.026 4.690 0.854 1.00 0.00 O ATOM 1620 CB ASN A 105 -10.483 1.755 1.105 1.00 0.00 C ATOM 1621 CG ASN A 105 -11.707 2.656 0.926 1.00 0.00 C ATOM 1622 OD1 ASN A 105 -11.639 3.869 1.041 1.00 0.00 O ATOM 1623 ND2 ASN A 105 -12.826 1.998 0.639 1.00 0.00 N ATOM 0 H ASN A 105 -8.486 0.398 0.434 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.536 2.647 -0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.695 0.764 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.270 1.631 2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.697 2.510 0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.813 0.981 0.557 1.00 0.00 H new ATOM 1630 N ASN A 106 -8.085 3.234 2.306 1.00 0.00 N ATOM 1631 CA ASN A 106 -7.561 4.271 3.178 1.00 0.00 C ATOM 1632 C ASN A 106 -6.778 5.286 2.343 1.00 0.00 C ATOM 1633 O ASN A 106 -7.025 6.488 2.431 1.00 0.00 O ATOM 1634 CB ASN A 106 -6.609 3.683 4.222 1.00 0.00 C ATOM 1635 CG ASN A 106 -7.194 3.808 5.630 1.00 0.00 C ATOM 1636 OD1 ASN A 106 -7.420 4.892 6.143 1.00 0.00 O ATOM 1637 ND2 ASN A 106 -7.426 2.641 6.225 1.00 0.00 N ATOM 0 H ASN A 106 -7.878 2.281 2.604 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.403 4.744 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.418 2.634 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.650 4.199 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.816 2.618 7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.214 1.770 5.739 1.00 0.00 H new ATOM 1644 N PHE A 107 -5.851 4.766 1.553 1.00 0.00 N ATOM 1645 CA PHE A 107 -5.031 5.612 0.703 1.00 0.00 C ATOM 1646 C PHE A 107 -5.899 6.451 -0.236 1.00 0.00 C ATOM 1647 O PHE A 107 -5.710 7.662 -0.347 1.00 0.00 O ATOM 1648 CB PHE A 107 -4.146 4.684 -0.131 1.00 0.00 C ATOM 1649 CG PHE A 107 -3.042 5.408 -0.906 1.00 0.00 C ATOM 1650 CD1 PHE A 107 -2.407 6.474 -0.350 1.00 0.00 C ATOM 1651 CD2 PHE A 107 -2.697 4.985 -2.152 1.00 0.00 C ATOM 1652 CE1 PHE A 107 -1.383 7.145 -1.069 1.00 0.00 C ATOM 1653 CE2 PHE A 107 -1.673 5.656 -2.871 1.00 0.00 C ATOM 1654 CZ PHE A 107 -1.038 6.722 -2.314 1.00 0.00 C ATOM 0 H PHE A 107 -5.649 3.769 1.483 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.441 6.295 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.689 3.946 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.773 4.138 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.682 6.810 0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.202 4.139 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.878 7.991 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.398 5.320 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.259 7.233 -2.861 1.00 0.00 H new ATOM 1664 N GLN A 108 -6.832 5.775 -0.890 1.00 0.00 N ATOM 1665 CA GLN A 108 -7.730 6.443 -1.816 1.00 0.00 C ATOM 1666 C GLN A 108 -8.441 7.606 -1.122 1.00 0.00 C ATOM 1667 O GLN A 108 -8.344 8.750 -1.563 1.00 0.00 O ATOM 1668 CB GLN A 108 -8.740 5.457 -2.408 1.00 0.00 C ATOM 1669 CG GLN A 108 -8.145 4.715 -3.606 1.00 0.00 C ATOM 1670 CD GLN A 108 -9.222 4.398 -4.645 1.00 0.00 C ATOM 1671 OE1 GLN A 108 -10.156 5.154 -4.859 1.00 0.00 O ATOM 1672 NE2 GLN A 108 -9.041 3.242 -5.277 1.00 0.00 N ATOM 0 H GLN A 108 -6.985 4.771 -0.797 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.138 6.844 -2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.043 4.740 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.638 5.992 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.362 5.322 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.676 3.790 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -8.237 2.657 -5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.706 2.941 -5.989 1.00 0.00 H new ATOM 1681 N ALA A 109 -9.139 7.273 -0.046 1.00 0.00 N ATOM 1682 CA ALA A 109 -9.866 8.275 0.714 1.00 0.00 C ATOM 1683 C ALA A 109 -8.908 9.398 1.117 1.00 0.00 C ATOM 1684 O ALA A 109 -9.336 10.521 1.378 1.00 0.00 O ATOM 1685 CB ALA A 109 -10.533 7.616 1.923 1.00 0.00 C ATOM 0 H ALA A 109 -9.216 6.323 0.317 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.656 8.717 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.078 8.368 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.226 6.847 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.771 7.163 2.557 1.00 0.00 H new ATOM 1691 N VAL A 110 -7.629 9.054 1.156 1.00 0.00 N ATOM 1692 CA VAL A 110 -6.606 10.019 1.523 1.00 0.00 C ATOM 1693 C VAL A 110 -6.149 10.773 0.273 1.00 0.00 C ATOM 1694 O VAL A 110 -5.823 11.957 0.342 1.00 0.00 O ATOM 1695 CB VAL A 110 -5.458 9.314 2.249 1.00 0.00 C ATOM 1696 CG1 VAL A 110 -4.224 10.215 2.328 1.00 0.00 C ATOM 1697 CG2 VAL A 110 -5.891 8.853 3.642 1.00 0.00 C ATOM 0 H VAL A 110 -7.278 8.121 0.940 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.009 10.756 2.218 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.190 8.429 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.423 9.690 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.895 10.471 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.473 11.127 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.057 8.355 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.199 9.716 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.726 8.158 3.552 1.00 0.00 H new ATOM 1707 N GLN A 111 -6.140 10.055 -0.841 1.00 0.00 N ATOM 1708 CA GLN A 111 -5.729 10.642 -2.105 1.00 0.00 C ATOM 1709 C GLN A 111 -6.787 11.629 -2.602 1.00 0.00 C ATOM 1710 O GLN A 111 -6.458 12.630 -3.236 1.00 0.00 O ATOM 1711 CB GLN A 111 -5.458 9.557 -3.150 1.00 0.00 C ATOM 1712 CG GLN A 111 -6.639 9.415 -4.112 1.00 0.00 C ATOM 1713 CD GLN A 111 -6.324 8.411 -5.223 1.00 0.00 C ATOM 1714 OE1 GLN A 111 -5.785 7.275 -4.789 1.00 0.00 O flip ATOM 1715 NE2 GLN A 111 -6.554 8.652 -6.397 1.00 0.00 N flip ATOM 0 H GLN A 111 -6.411 9.073 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.799 11.187 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.556 9.804 -3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.274 8.605 -2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.523 9.090 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.875 10.385 -4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.970 9.545 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -6.331 7.961 -7.113 1.00 0.00 H new ATOM 1724 N ARG A 112 -8.036 11.312 -2.295 1.00 0.00 N ATOM 1725 CA ARG A 112 -9.145 12.159 -2.702 1.00 0.00 C ATOM 1726 C ARG A 112 -9.279 13.351 -1.752 1.00 0.00 C ATOM 1727 O ARG A 112 -9.749 14.416 -2.149 1.00 0.00 O ATOM 1728 CB ARG A 112 -10.459 11.377 -2.716 1.00 0.00 C ATOM 1729 CG ARG A 112 -10.964 11.127 -1.294 1.00 0.00 C ATOM 1730 CD ARG A 112 -12.065 12.121 -0.920 1.00 0.00 C ATOM 1731 NE ARG A 112 -13.314 11.396 -0.596 1.00 0.00 N ATOM 1732 CZ ARG A 112 -14.408 11.976 -0.084 1.00 0.00 C ATOM 1733 NH1 ARG A 112 -14.414 13.292 0.167 1.00 0.00 N ATOM 1734 NH2 ARG A 112 -15.496 11.239 0.179 1.00 0.00 N ATOM 0 H ARG A 112 -8.305 10.480 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.937 12.515 -3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.210 11.931 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.314 10.425 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.346 10.109 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.136 11.214 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.750 12.720 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.239 12.811 -1.746 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.344 10.392 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.586 13.853 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.247 13.733 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.491 10.237 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.329 11.680 0.569 1.00 0.00 H new ATOM 1748 N ARG A 113 -8.858 13.131 -0.515 1.00 0.00 N ATOM 1749 CA ARG A 113 -8.925 14.174 0.495 1.00 0.00 C ATOM 1750 C ARG A 113 -7.742 15.132 0.348 1.00 0.00 C ATOM 1751 O ARG A 113 -7.799 16.270 0.812 1.00 0.00 O ATOM 1752 CB ARG A 113 -8.918 13.577 1.904 1.00 0.00 C ATOM 1753 CG ARG A 113 -10.321 13.589 2.512 1.00 0.00 C ATOM 1754 CD ARG A 113 -10.307 14.203 3.913 1.00 0.00 C ATOM 1755 NE ARG A 113 -11.245 13.473 4.795 1.00 0.00 N ATOM 1756 CZ ARG A 113 -11.551 13.852 6.044 1.00 0.00 C ATOM 1757 NH1 ARG A 113 -10.996 14.955 6.564 1.00 0.00 N ATOM 1758 NH2 ARG A 113 -12.413 13.128 6.771 1.00 0.00 N ATOM 0 H ARG A 113 -8.469 12.246 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.858 14.719 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.543 12.554 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.238 14.144 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.995 14.156 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.709 12.571 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.299 14.162 4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.588 15.255 3.861 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.686 12.629 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.341 15.506 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.229 15.244 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.836 12.289 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.646 13.416 7.721 1.00 0.00 H new ATOM 1772 N VAL A 114 -6.697 14.637 -0.299 1.00 0.00 N ATOM 1773 CA VAL A 114 -5.502 15.435 -0.513 1.00 0.00 C ATOM 1774 C VAL A 114 -5.716 16.354 -1.718 1.00 0.00 C ATOM 1775 O VAL A 114 -5.371 17.533 -1.673 1.00 0.00 O ATOM 1776 CB VAL A 114 -4.284 14.523 -0.666 1.00 0.00 C ATOM 1777 CG1 VAL A 114 -3.086 15.296 -1.221 1.00 0.00 C ATOM 1778 CG2 VAL A 114 -3.934 13.848 0.662 1.00 0.00 C ATOM 0 H VAL A 114 -6.653 13.693 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.308 16.071 0.351 1.00 0.00 H new ATOM 0 HB VAL A 114 -4.539 13.742 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.234 14.624 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -3.339 15.707 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.830 16.108 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.064 13.205 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.709 14.609 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.779 13.248 0.999 1.00 0.00 H new ATOM 1788 N SER A 115 -6.285 15.778 -2.767 1.00 0.00 N ATOM 1789 CA SER A 115 -6.549 16.530 -3.982 1.00 0.00 C ATOM 1790 C SER A 115 -7.508 17.685 -3.684 1.00 0.00 C ATOM 1791 O SER A 115 -7.283 18.811 -4.123 1.00 0.00 O ATOM 1792 CB SER A 115 -7.129 15.627 -5.073 1.00 0.00 C ATOM 1793 OG SER A 115 -6.394 14.414 -5.208 1.00 0.00 O ATOM 0 H SER A 115 -6.570 14.799 -2.801 1.00 0.00 H new ATOM 0 HA SER A 115 -5.605 16.934 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.168 15.397 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.127 16.160 -6.024 1.00 0.00 H new ATOM 0 HG SER A 115 -6.750 13.745 -4.587 1.00 0.00 H new ATOM 1799 N GLU A 116 -8.556 17.365 -2.940 1.00 0.00 N ATOM 1800 CA GLU A 116 -9.550 18.362 -2.579 1.00 0.00 C ATOM 1801 C GLU A 116 -8.887 19.528 -1.842 1.00 0.00 C ATOM 1802 O GLU A 116 -9.259 20.684 -2.041 1.00 0.00 O ATOM 1803 CB GLU A 116 -10.665 17.743 -1.735 1.00 0.00 C ATOM 1804 CG GLU A 116 -12.030 17.947 -2.396 1.00 0.00 C ATOM 1805 CD GLU A 116 -13.125 18.144 -1.345 1.00 0.00 C ATOM 1806 OE1 GLU A 116 -13.650 17.113 -0.873 1.00 0.00 O ATOM 1807 OE2 GLU A 116 -13.411 19.321 -1.037 1.00 0.00 O ATOM 0 H GLU A 116 -8.739 16.429 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.002 18.745 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.477 16.678 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.667 18.193 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.993 18.815 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.269 17.085 -3.018 1.00 0.00 H new ATOM 1814 N LYS A 117 -7.918 19.185 -1.007 1.00 0.00 N ATOM 1815 CA LYS A 117 -7.201 20.189 -0.239 1.00 0.00 C ATOM 1816 C LYS A 117 -6.472 21.133 -1.198 1.00 0.00 C ATOM 1817 O LYS A 117 -6.579 22.352 -1.075 1.00 0.00 O ATOM 1818 CB LYS A 117 -6.281 19.523 0.786 1.00 0.00 C ATOM 1819 CG LYS A 117 -7.091 18.878 1.912 1.00 0.00 C ATOM 1820 CD LYS A 117 -7.432 19.901 2.997 1.00 0.00 C ATOM 1821 CE LYS A 117 -8.934 20.194 3.021 1.00 0.00 C ATOM 1822 NZ LYS A 117 -9.260 21.143 4.109 1.00 0.00 N ATOM 0 H LYS A 117 -7.612 18.226 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.897 20.796 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.669 18.767 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.598 20.264 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.009 18.453 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -6.524 18.056 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -7.116 19.524 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.880 20.824 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.245 20.610 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.489 19.267 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -10.283 21.331 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.982 20.732 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.745 22.034 3.959 1.00 0.00 H new ATOM 1836 N GLU A 118 -5.748 20.533 -2.132 1.00 0.00 N ATOM 1837 CA GLU A 118 -5.002 21.305 -3.111 1.00 0.00 C ATOM 1838 C GLU A 118 -5.961 22.017 -4.068 1.00 0.00 C ATOM 1839 O GLU A 118 -5.563 22.939 -4.779 1.00 0.00 O ATOM 1840 CB GLU A 118 -4.021 20.417 -3.878 1.00 0.00 C ATOM 1841 CG GLU A 118 -2.710 20.253 -3.105 1.00 0.00 C ATOM 1842 CD GLU A 118 -1.741 21.393 -3.423 1.00 0.00 C ATOM 1843 OE1 GLU A 118 -2.093 22.546 -3.094 1.00 0.00 O ATOM 1844 OE2 GLU A 118 -0.669 21.086 -3.989 1.00 0.00 O ATOM 0 H GLU A 118 -5.662 19.521 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.420 22.060 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -4.470 19.439 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.818 20.853 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.915 20.233 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.250 19.298 -3.360 1.00 0.00 H new