USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 651 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 80 SER OG : rot 180:sc= 0.00818 USER MOD Set 1.2: A 96 LYS NZ :NH3+ -157:sc= 0.00957 (180deg=0) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.0427 X(o=0.085,f=-0.23) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 147:sc= 0.0419 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5!) USER MOD Single : A 28 GLN : amide:sc= -0.355 K(o=-0.35,f=-0.94) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.29 F(o=-3.9!,f=-1.3) USER MOD Single : A 48 HIS : no HD1:sc= -4.02! C(o=-4!,f=-3.9!) USER MOD Single : A 49 THR OG1 : rot -68:sc= 1.56 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -89:sc= -5.54! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.703 X(o=-0.7,f=-0.28) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.081 K(o=0.081,f=-0.44) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.37 F(o=-1.9!,f=-1.4) USER MOD Single : A 79 HIS : no HD1:sc= -2.05 K(o=-2,f=-5.4!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.5!) USER MOD Single : A 89 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-3.4!) USER MOD Single : A 93 SER OG : rot -160:sc= -0.962 USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.699 -4.085 1.402 1.00 0.00 N ATOM 102 CA ALA A 11 -13.356 -3.522 1.471 1.00 0.00 C ATOM 103 C ALA A 11 -12.558 -4.144 2.612 1.00 0.00 C ATOM 104 O ALA A 11 -11.327 -4.143 2.595 1.00 0.00 O ATOM 105 CB ALA A 11 -13.425 -2.011 1.635 1.00 0.00 C ATOM 0 HA ALA A 11 -12.844 -3.752 0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.415 -1.604 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.950 -1.576 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.960 -1.769 2.553 1.00 0.00 H new ATOM 111 N ARG A 12 -13.267 -4.674 3.604 1.00 0.00 N ATOM 112 CA ARG A 12 -12.625 -5.297 4.754 1.00 0.00 C ATOM 113 C ARG A 12 -11.825 -6.526 4.331 1.00 0.00 C ATOM 114 O ARG A 12 -10.958 -6.998 5.066 1.00 0.00 O ATOM 115 CB ARG A 12 -13.671 -5.691 5.798 1.00 0.00 C ATOM 116 CG ARG A 12 -14.574 -6.831 5.355 1.00 0.00 C ATOM 117 CD ARG A 12 -15.454 -7.320 6.495 1.00 0.00 C ATOM 118 NE ARG A 12 -14.700 -8.101 7.472 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.258 -8.976 8.302 1.00 0.00 C ATOM 120 NH1 ARG A 12 -16.567 -9.180 8.272 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.505 -9.649 9.163 1.00 0.00 N ATOM 0 H ARG A 12 -14.287 -4.684 3.634 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.940 -4.572 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.163 -5.978 6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.285 -4.821 6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.200 -6.500 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.965 -7.656 4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.913 -6.465 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.264 -7.928 6.092 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.690 -7.968 7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.148 -8.665 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.993 -9.852 8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.497 -9.495 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.934 -10.320 9.800 1.00 0.00 H new ATOM 135 N ARG A 13 -12.124 -7.039 3.142 1.00 0.00 N ATOM 136 CA ARG A 13 -11.435 -8.214 2.621 1.00 0.00 C ATOM 137 C ARG A 13 -10.096 -7.828 2.000 1.00 0.00 C ATOM 138 O ARG A 13 -9.151 -8.618 1.992 1.00 0.00 O ATOM 139 CB ARG A 13 -12.305 -8.924 1.583 1.00 0.00 C ATOM 140 CG ARG A 13 -13.615 -9.451 2.145 1.00 0.00 C ATOM 141 CD ARG A 13 -14.513 -9.998 1.046 1.00 0.00 C ATOM 142 NE ARG A 13 -15.643 -10.750 1.586 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.598 -11.283 0.832 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.559 -11.149 -0.486 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.594 -11.954 1.397 1.00 0.00 N ATOM 0 H ARG A 13 -12.839 -6.659 2.521 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.248 -8.893 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.521 -8.233 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.742 -9.754 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.410 -10.236 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.133 -8.651 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.884 -9.174 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.930 -10.643 0.388 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.702 -10.872 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.794 -10.636 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.294 -11.559 -1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.627 -12.061 2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.327 -12.363 0.817 1.00 0.00 H new ATOM 159 N LEU A 14 -10.022 -6.608 1.479 1.00 0.00 N ATOM 160 CA LEU A 14 -8.799 -6.116 0.854 1.00 0.00 C ATOM 161 C LEU A 14 -7.636 -6.139 1.840 1.00 0.00 C ATOM 162 O LEU A 14 -7.799 -5.815 3.017 1.00 0.00 O ATOM 163 CB LEU A 14 -9.008 -4.695 0.327 1.00 0.00 C ATOM 164 CG LEU A 14 -10.282 -4.461 -0.485 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.475 -2.978 -0.760 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.236 -5.245 -1.788 1.00 0.00 C ATOM 0 H LEU A 14 -10.794 -5.942 1.477 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.557 -6.774 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.011 -4.011 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.152 -4.429 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.132 -4.815 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.387 -2.831 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.554 -2.440 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.622 -2.598 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.151 -5.066 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.377 -4.922 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.147 -6.309 -1.569 1.00 0.00 H new ATOM 178 N THR A 15 -6.460 -6.522 1.353 1.00 0.00 N ATOM 179 CA THR A 15 -5.269 -6.585 2.191 1.00 0.00 C ATOM 180 C THR A 15 -4.000 -6.489 1.351 1.00 0.00 C ATOM 181 O THR A 15 -4.034 -6.671 0.134 1.00 0.00 O ATOM 182 CB THR A 15 -5.229 -7.888 3.012 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.038 -7.931 3.805 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.282 -9.104 2.101 1.00 0.00 C ATOM 0 H THR A 15 -6.307 -6.793 0.382 1.00 0.00 H new ATOM 0 HA THR A 15 -5.316 -5.735 2.872 1.00 0.00 H new ATOM 0 HB THR A 15 -6.101 -7.906 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.021 -8.761 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.252 -10.012 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.204 -9.084 1.520 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.427 -9.090 1.425 1.00 0.00 H new ATOM 192 N VAL A 16 -2.881 -6.202 2.009 1.00 0.00 N ATOM 193 CA VAL A 16 -1.600 -6.083 1.323 1.00 0.00 C ATOM 194 C VAL A 16 -0.518 -6.886 2.036 1.00 0.00 C ATOM 195 O VAL A 16 -0.419 -6.863 3.264 1.00 0.00 O ATOM 196 CB VAL A 16 -1.151 -4.613 1.224 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.142 -4.502 0.430 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.246 -3.763 0.596 1.00 0.00 C ATOM 0 H VAL A 16 -2.836 -6.048 3.016 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.741 -6.481 0.318 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.965 -4.239 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.444 -3.456 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.924 -5.078 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.014 -4.892 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.912 -2.727 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.466 -4.134 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.146 -3.818 1.209 1.00 0.00 H new ATOM 208 N THR A 17 0.293 -7.597 1.259 1.00 0.00 N ATOM 209 CA THR A 17 1.368 -8.408 1.815 1.00 0.00 C ATOM 210 C THR A 17 2.714 -8.027 1.210 1.00 0.00 C ATOM 211 O THR A 17 3.644 -7.655 1.926 1.00 0.00 O ATOM 212 CB THR A 17 1.118 -9.910 1.579 1.00 0.00 C ATOM 213 OG1 THR A 17 -0.194 -10.265 2.029 1.00 0.00 O ATOM 214 CG2 THR A 17 2.155 -10.752 2.307 1.00 0.00 C ATOM 0 H THR A 17 0.225 -7.627 0.242 1.00 0.00 H new ATOM 0 HA THR A 17 1.388 -8.214 2.888 1.00 0.00 H new ATOM 0 HB THR A 17 1.200 -10.106 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.346 -11.221 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.958 -11.809 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.150 -10.500 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.101 -10.551 3.377 1.00 0.00 H new ATOM 222 N SER A 18 2.812 -8.122 -0.112 1.00 0.00 N ATOM 223 CA SER A 18 4.046 -7.790 -0.813 1.00 0.00 C ATOM 224 C SER A 18 4.688 -6.540 -0.220 1.00 0.00 C ATOM 225 O SER A 18 5.900 -6.494 0.000 1.00 0.00 O ATOM 226 CB SER A 18 3.770 -7.578 -2.303 1.00 0.00 C ATOM 227 OG SER A 18 3.426 -8.797 -2.937 1.00 0.00 O ATOM 0 H SER A 18 2.051 -8.426 -0.719 1.00 0.00 H new ATOM 0 HA SER A 18 4.738 -8.624 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.960 -6.859 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.651 -7.152 -2.782 1.00 0.00 H new ATOM 0 HG SER A 18 3.253 -8.634 -3.888 1.00 0.00 H new ATOM 233 N LEU A 19 3.869 -5.527 0.037 1.00 0.00 N ATOM 234 CA LEU A 19 4.355 -4.274 0.605 1.00 0.00 C ATOM 235 C LEU A 19 5.179 -4.530 1.863 1.00 0.00 C ATOM 236 O LEU A 19 4.733 -5.222 2.777 1.00 0.00 O ATOM 237 CB LEU A 19 3.181 -3.349 0.931 1.00 0.00 C ATOM 238 CG LEU A 19 3.501 -2.144 1.815 1.00 0.00 C ATOM 239 CD1 LEU A 19 4.159 -1.042 0.999 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.239 -1.628 2.491 1.00 0.00 C ATOM 0 H LEU A 19 2.864 -5.548 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 19 4.994 -3.793 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.760 -2.985 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.406 -3.938 1.421 1.00 0.00 H new ATOM 0 HG LEU A 19 4.200 -2.461 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.379 -0.193 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.085 -1.416 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.485 -0.727 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.486 -0.770 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.516 -1.328 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.809 -2.416 3.109 1.00 0.00 H new ATOM 252 N GLN A 20 6.382 -3.966 1.901 1.00 0.00 N ATOM 253 CA GLN A 20 7.267 -4.133 3.047 1.00 0.00 C ATOM 254 C GLN A 20 7.008 -3.057 4.096 1.00 0.00 C ATOM 255 O GLN A 20 7.512 -1.939 3.990 1.00 0.00 O ATOM 256 CB GLN A 20 8.729 -4.084 2.600 1.00 0.00 C ATOM 257 CG GLN A 20 9.716 -4.420 3.707 1.00 0.00 C ATOM 258 CD GLN A 20 9.821 -5.910 3.962 1.00 0.00 C ATOM 259 OE1 GLN A 20 9.244 -6.431 4.917 1.00 0.00 O ATOM 260 NE2 GLN A 20 10.561 -6.606 3.107 1.00 0.00 N ATOM 0 H GLN A 20 6.766 -3.390 1.152 1.00 0.00 H new ATOM 0 HA GLN A 20 7.063 -5.106 3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.871 -4.781 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.950 -3.087 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.699 -4.030 3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.411 -3.919 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.022 -6.134 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.669 -7.613 3.228 1.00 0.00 H new ATOM 269 N GLU A 21 6.219 -3.402 5.109 1.00 0.00 N ATOM 270 CA GLU A 21 5.892 -2.464 6.176 1.00 0.00 C ATOM 271 C GLU A 21 7.094 -1.589 6.518 1.00 0.00 C ATOM 272 O GLU A 21 7.009 -0.360 6.497 1.00 0.00 O ATOM 273 CB GLU A 21 5.425 -3.218 7.423 1.00 0.00 C ATOM 274 CG GLU A 21 4.011 -3.764 7.310 1.00 0.00 C ATOM 275 CD GLU A 21 3.495 -4.322 8.622 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.445 -3.561 9.611 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.142 -5.519 8.661 1.00 0.00 O ATOM 0 H GLU A 21 5.795 -4.324 5.213 1.00 0.00 H new ATOM 0 HA GLU A 21 5.084 -1.821 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.110 -4.044 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.480 -2.550 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.345 -2.971 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.987 -4.547 6.552 1.00 0.00 H new ATOM 284 N THR A 22 8.215 -2.230 6.835 1.00 0.00 N ATOM 285 CA THR A 22 9.434 -1.512 7.183 1.00 0.00 C ATOM 286 C THR A 22 10.647 -2.117 6.485 1.00 0.00 C ATOM 287 O THR A 22 10.748 -3.334 6.338 1.00 0.00 O ATOM 288 CB THR A 22 9.675 -1.520 8.705 1.00 0.00 C ATOM 289 OG1 THR A 22 9.828 -2.866 9.170 1.00 0.00 O ATOM 290 CG2 THR A 22 8.522 -0.853 9.439 1.00 0.00 C ATOM 0 H THR A 22 8.303 -3.246 6.858 1.00 0.00 H new ATOM 0 HA THR A 22 9.301 -0.483 6.848 1.00 0.00 H new ATOM 0 HB THR A 22 10.587 -0.960 8.909 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.982 -2.862 10.138 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.715 -0.871 10.512 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.427 0.180 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.597 -1.390 9.228 1.00 0.00 H new ATOM 298 N GLY A 23 11.567 -1.257 6.057 1.00 0.00 N ATOM 299 CA GLY A 23 12.761 -1.726 5.379 1.00 0.00 C ATOM 300 C GLY A 23 13.084 -0.911 4.143 1.00 0.00 C ATOM 301 O GLY A 23 14.253 -0.714 3.807 1.00 0.00 O ATOM 0 H GLY A 23 11.506 -0.245 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.605 -1.686 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.628 -2.771 5.097 1.00 0.00 H new ATOM 305 N LEU A 24 12.047 -0.436 3.461 1.00 0.00 N ATOM 306 CA LEU A 24 12.226 0.361 2.253 1.00 0.00 C ATOM 307 C LEU A 24 13.159 1.540 2.511 1.00 0.00 C ATOM 308 O LEU A 24 13.210 2.073 3.620 1.00 0.00 O ATOM 309 CB LEU A 24 10.874 0.867 1.748 1.00 0.00 C ATOM 310 CG LEU A 24 9.797 -0.197 1.531 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.486 0.449 1.109 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.252 -1.212 0.493 1.00 0.00 C ATOM 0 H LEU A 24 11.074 -0.589 3.724 1.00 0.00 H new ATOM 0 HA LEU A 24 12.677 -0.275 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.494 1.600 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.034 1.391 0.806 1.00 0.00 H new ATOM 0 HG LEU A 24 9.634 -0.719 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.732 -0.323 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.152 1.136 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.634 0.997 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.473 -1.962 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.444 -0.705 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.166 -1.698 0.835 1.00 0.00 H new ATOM 324 N LYS A 25 13.893 1.943 1.480 1.00 0.00 N ATOM 325 CA LYS A 25 14.822 3.061 1.593 1.00 0.00 C ATOM 326 C LYS A 25 14.368 4.235 0.731 1.00 0.00 C ATOM 327 O LYS A 25 13.452 4.104 -0.080 1.00 0.00 O ATOM 328 CB LYS A 25 16.230 2.625 1.180 1.00 0.00 C ATOM 329 CG LYS A 25 16.814 1.537 2.064 1.00 0.00 C ATOM 330 CD LYS A 25 17.962 0.817 1.377 1.00 0.00 C ATOM 331 CE LYS A 25 18.912 0.192 2.387 1.00 0.00 C ATOM 332 NZ LYS A 25 19.565 -1.034 1.849 1.00 0.00 N ATOM 0 H LYS A 25 13.863 1.512 0.556 1.00 0.00 H new ATOM 0 HA LYS A 25 14.839 3.383 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.204 2.269 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.890 3.492 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.165 1.975 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.035 0.819 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.566 0.042 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.509 1.519 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.676 0.918 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.364 -0.057 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.205 -1.430 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.838 -1.737 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.109 -0.792 0.996 1.00 0.00 H new ATOM 346 N VAL A 26 15.017 5.382 0.912 1.00 0.00 N ATOM 347 CA VAL A 26 14.681 6.578 0.149 1.00 0.00 C ATOM 348 C VAL A 26 15.086 6.428 -1.314 1.00 0.00 C ATOM 349 O VAL A 26 16.148 5.890 -1.622 1.00 0.00 O ATOM 350 CB VAL A 26 15.366 7.827 0.734 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.878 7.712 0.617 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.862 9.084 0.040 1.00 0.00 C ATOM 0 H VAL A 26 15.778 5.507 1.580 1.00 0.00 H new ATOM 0 HA VAL A 26 13.600 6.702 0.213 1.00 0.00 H new ATOM 0 HB VAL A 26 15.113 7.897 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.344 8.604 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.219 6.833 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.155 7.616 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.356 9.957 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.083 9.025 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.785 9.171 0.182 1.00 0.00 H new ATOM 362 N ASN A 27 14.231 6.909 -2.211 1.00 0.00 N ATOM 363 CA ASN A 27 14.499 6.829 -3.642 1.00 0.00 C ATOM 364 C ASN A 27 14.572 5.376 -4.101 1.00 0.00 C ATOM 365 O ASN A 27 15.453 5.003 -4.875 1.00 0.00 O ATOM 366 CB ASN A 27 15.808 7.547 -3.977 1.00 0.00 C ATOM 367 CG ASN A 27 15.816 8.987 -3.500 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.424 9.311 -2.480 1.00 0.00 O ATOM 369 ND2 ASN A 27 15.138 9.858 -4.237 1.00 0.00 N ATOM 0 H ASN A 27 13.347 7.358 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 27 13.679 7.317 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.640 7.011 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.967 7.523 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.106 10.841 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.648 9.545 -5.075 1.00 0.00 H new ATOM 376 N GLN A 28 13.639 4.561 -3.619 1.00 0.00 N ATOM 377 CA GLN A 28 13.598 3.149 -3.980 1.00 0.00 C ATOM 378 C GLN A 28 12.235 2.773 -4.553 1.00 0.00 C ATOM 379 O GLN A 28 11.188 3.115 -4.004 1.00 0.00 O ATOM 380 CB GLN A 28 13.909 2.280 -2.760 1.00 0.00 C ATOM 381 CG GLN A 28 15.396 2.078 -2.520 1.00 0.00 C ATOM 382 CD GLN A 28 16.062 1.276 -3.621 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.473 1.825 -4.643 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.172 -0.032 -3.417 1.00 0.00 N ATOM 0 H GLN A 28 12.902 4.854 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 28 14.354 2.973 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.466 2.738 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.434 1.307 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.882 3.050 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.540 1.569 -1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.817 -0.445 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.611 -0.623 -4.123 1.00 0.00 H new ATOM 393 N PRO A 29 12.247 2.053 -5.684 1.00 0.00 N ATOM 394 CA PRO A 29 11.020 1.614 -6.356 1.00 0.00 C ATOM 395 C PRO A 29 10.277 0.543 -5.566 1.00 0.00 C ATOM 396 O PRO A 29 10.567 -0.646 -5.690 1.00 0.00 O ATOM 397 CB PRO A 29 11.527 1.045 -7.683 1.00 0.00 C ATOM 398 CG PRO A 29 12.931 0.631 -7.407 1.00 0.00 C ATOM 399 CD PRO A 29 13.459 1.609 -6.394 1.00 0.00 C ATOM 0 HA PRO A 29 10.305 2.428 -6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.922 0.199 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.483 1.791 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.969 -0.388 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.530 0.651 -8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.172 1.140 -5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.974 2.443 -6.871 1.00 0.00 H new ATOM 407 N ALA A 30 9.317 0.973 -4.753 1.00 0.00 N ATOM 408 CA ALA A 30 8.531 0.050 -3.944 1.00 0.00 C ATOM 409 C ALA A 30 7.215 -0.298 -4.631 1.00 0.00 C ATOM 410 O ALA A 30 6.375 0.572 -4.861 1.00 0.00 O ATOM 411 CB ALA A 30 8.270 0.645 -2.568 1.00 0.00 C ATOM 0 H ALA A 30 9.065 1.955 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 30 9.103 -0.870 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.682 -0.055 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.220 0.836 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.721 1.581 -2.674 1.00 0.00 H new ATOM 417 N SER A 31 7.042 -1.575 -4.957 1.00 0.00 N ATOM 418 CA SER A 31 5.829 -2.037 -5.622 1.00 0.00 C ATOM 419 C SER A 31 5.275 -3.282 -4.938 1.00 0.00 C ATOM 420 O SER A 31 6.030 -4.136 -4.471 1.00 0.00 O ATOM 421 CB SER A 31 6.112 -2.333 -7.096 1.00 0.00 C ATOM 422 OG SER A 31 6.913 -3.494 -7.238 1.00 0.00 O ATOM 0 H SER A 31 7.726 -2.308 -4.771 1.00 0.00 H new ATOM 0 HA SER A 31 5.083 -1.245 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.172 -2.469 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.617 -1.481 -7.551 1.00 0.00 H new ATOM 0 HG SER A 31 7.078 -3.663 -8.189 1.00 0.00 H new ATOM 428 N PHE A 32 3.951 -3.379 -4.882 1.00 0.00 N ATOM 429 CA PHE A 32 3.294 -4.520 -4.254 1.00 0.00 C ATOM 430 C PHE A 32 1.945 -4.799 -4.910 1.00 0.00 C ATOM 431 O PHE A 32 1.535 -4.098 -5.835 1.00 0.00 O ATOM 432 CB PHE A 32 3.103 -4.265 -2.758 1.00 0.00 C ATOM 433 CG PHE A 32 2.831 -2.826 -2.425 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.846 -1.884 -2.484 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.562 -2.414 -2.053 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.599 -0.559 -2.177 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.308 -1.091 -1.745 1.00 0.00 C ATOM 438 CZ PHE A 32 2.328 -0.162 -1.809 1.00 0.00 C ATOM 0 H PHE A 32 3.312 -2.682 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 32 3.931 -5.394 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.276 -4.876 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.997 -4.590 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.841 -2.189 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.761 -3.136 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.399 0.165 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.314 -0.784 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.132 0.873 -1.572 1.00 0.00 H new ATOM 448 N ALA A 33 1.260 -5.829 -4.425 1.00 0.00 N ATOM 449 CA ALA A 33 -0.043 -6.202 -4.963 1.00 0.00 C ATOM 450 C ALA A 33 -1.119 -6.145 -3.883 1.00 0.00 C ATOM 451 O ALA A 33 -0.900 -6.577 -2.751 1.00 0.00 O ATOM 452 CB ALA A 33 0.017 -7.592 -5.578 1.00 0.00 C ATOM 0 H ALA A 33 1.585 -6.420 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.306 -5.485 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.963 -7.857 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.750 -7.602 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.307 -8.315 -4.815 1.00 0.00 H new ATOM 458 N VAL A 34 -2.282 -5.609 -4.240 1.00 0.00 N ATOM 459 CA VAL A 34 -3.392 -5.496 -3.302 1.00 0.00 C ATOM 460 C VAL A 34 -4.436 -6.577 -3.554 1.00 0.00 C ATOM 461 O VAL A 34 -5.158 -6.537 -4.550 1.00 0.00 O ATOM 462 CB VAL A 34 -4.067 -4.114 -3.395 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.253 -4.035 -2.446 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.063 -3.011 -3.099 1.00 0.00 C ATOM 0 H VAL A 34 -2.480 -5.246 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.976 -5.622 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.435 -3.976 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.717 -3.052 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.981 -4.803 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.912 -4.194 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.556 -2.042 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.663 -3.143 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.249 -3.057 -3.822 1.00 0.00 H new ATOM 474 N GLN A 35 -4.512 -7.543 -2.644 1.00 0.00 N ATOM 475 CA GLN A 35 -5.469 -8.636 -2.768 1.00 0.00 C ATOM 476 C GLN A 35 -6.878 -8.168 -2.422 1.00 0.00 C ATOM 477 O GLN A 35 -7.060 -7.268 -1.601 1.00 0.00 O ATOM 478 CB GLN A 35 -5.067 -9.800 -1.860 1.00 0.00 C ATOM 479 CG GLN A 35 -5.933 -11.036 -2.036 1.00 0.00 C ATOM 480 CD GLN A 35 -5.513 -11.878 -3.225 1.00 0.00 C ATOM 481 OE1 GLN A 35 -6.013 -11.699 -4.336 1.00 0.00 O ATOM 482 NE2 GLN A 35 -4.588 -12.804 -2.998 1.00 0.00 N ATOM 0 H GLN A 35 -3.922 -7.591 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.463 -8.975 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.028 -10.063 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.120 -9.474 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.883 -11.642 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.972 -10.732 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.200 -12.919 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.266 -13.400 -3.760 1.00 0.00 H new ATOM 491 N LEU A 36 -7.872 -8.783 -3.053 1.00 0.00 N ATOM 492 CA LEU A 36 -9.267 -8.429 -2.812 1.00 0.00 C ATOM 493 C LEU A 36 -9.929 -9.434 -1.875 1.00 0.00 C ATOM 494 O LEU A 36 -10.781 -9.073 -1.064 1.00 0.00 O ATOM 495 CB LEU A 36 -10.033 -8.365 -4.134 1.00 0.00 C ATOM 496 CG LEU A 36 -9.326 -7.649 -5.285 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.940 -8.048 -6.619 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.391 -6.141 -5.095 1.00 0.00 C ATOM 0 H LEU A 36 -7.738 -9.529 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.291 -7.448 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.258 -9.384 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.987 -7.868 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.278 -7.950 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.424 -7.529 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.840 -9.125 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.996 -7.777 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.883 -5.648 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.433 -5.822 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.904 -5.871 -4.158 1.00 0.00 H new ATOM 510 N ASN A 37 -9.530 -10.697 -1.991 1.00 0.00 N ATOM 511 CA ASN A 37 -10.085 -11.754 -1.153 1.00 0.00 C ATOM 512 C ASN A 37 -11.603 -11.815 -1.288 1.00 0.00 C ATOM 513 O ASN A 37 -12.317 -11.995 -0.302 1.00 0.00 O ATOM 514 CB ASN A 37 -9.699 -11.528 0.310 1.00 0.00 C ATOM 515 CG ASN A 37 -8.215 -11.723 0.554 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.446 -10.650 0.408 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.766 -12.824 0.870 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.825 -11.013 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.671 -12.705 -1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.983 -10.518 0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.262 -12.216 0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.394 -13.621 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.765 -12.940 1.031 1.00 0.00 H new ATOM 524 N GLY A 38 -12.090 -11.663 -2.516 1.00 0.00 N ATOM 525 CA GLY A 38 -13.520 -11.704 -2.757 1.00 0.00 C ATOM 526 C GLY A 38 -14.051 -10.401 -3.320 1.00 0.00 C ATOM 527 O GLY A 38 -14.895 -10.402 -4.215 1.00 0.00 O ATOM 0 H GLY A 38 -11.519 -11.512 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.745 -12.514 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.036 -11.930 -1.824 1.00 0.00 H new ATOM 531 N ALA A 39 -13.557 -9.286 -2.792 1.00 0.00 N ATOM 532 CA ALA A 39 -13.987 -7.969 -3.248 1.00 0.00 C ATOM 533 C ALA A 39 -13.719 -7.790 -4.738 1.00 0.00 C ATOM 534 O ALA A 39 -12.923 -8.521 -5.328 1.00 0.00 O ATOM 535 CB ALA A 39 -13.287 -6.880 -2.449 1.00 0.00 C ATOM 0 H ALA A 39 -12.859 -9.268 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.062 -7.888 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.617 -5.902 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.533 -6.989 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.209 -6.968 -2.581 1.00 0.00 H new ATOM 541 N ARG A 40 -14.389 -6.813 -5.342 1.00 0.00 N ATOM 542 CA ARG A 40 -14.224 -6.539 -6.764 1.00 0.00 C ATOM 543 C ARG A 40 -14.701 -5.131 -7.106 1.00 0.00 C ATOM 544 O ARG A 40 -15.899 -4.849 -7.089 1.00 0.00 O ATOM 545 CB ARG A 40 -14.995 -7.566 -7.596 1.00 0.00 C ATOM 546 CG ARG A 40 -14.984 -7.274 -9.087 1.00 0.00 C ATOM 547 CD ARG A 40 -13.779 -7.903 -9.769 1.00 0.00 C ATOM 548 NE ARG A 40 -13.495 -7.282 -11.060 1.00 0.00 N ATOM 549 CZ ARG A 40 -12.534 -7.695 -11.879 1.00 0.00 C ATOM 550 NH1 ARG A 40 -11.769 -8.725 -11.543 1.00 0.00 N ATOM 551 NH2 ARG A 40 -12.336 -7.078 -13.037 1.00 0.00 N ATOM 0 H ARG A 40 -15.051 -6.198 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.163 -6.612 -7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.568 -8.554 -7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.028 -7.601 -7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.900 -7.654 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.973 -6.196 -9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.907 -7.810 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.958 -8.969 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.066 -6.488 -11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.918 -9.202 -10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.032 -9.040 -12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.922 -6.285 -13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.598 -7.396 -13.665 1.00 0.00 H new ATOM 565 N GLY A 41 -13.755 -4.250 -7.415 1.00 0.00 N ATOM 566 CA GLY A 41 -14.098 -2.881 -7.755 1.00 0.00 C ATOM 567 C GLY A 41 -12.914 -2.102 -8.292 1.00 0.00 C ATOM 568 O GLY A 41 -12.225 -2.557 -9.206 1.00 0.00 O ATOM 0 H GLY A 41 -12.757 -4.459 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.895 -2.884 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.489 -2.378 -6.871 1.00 0.00 H new ATOM 572 N VAL A 42 -12.677 -0.924 -7.726 1.00 0.00 N ATOM 573 CA VAL A 42 -11.568 -0.079 -8.153 1.00 0.00 C ATOM 574 C VAL A 42 -10.684 0.307 -6.973 1.00 0.00 C ATOM 575 O VAL A 42 -11.172 0.800 -5.955 1.00 0.00 O ATOM 576 CB VAL A 42 -12.072 1.201 -8.845 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.901 2.078 -9.264 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.943 0.853 -10.042 1.00 0.00 C ATOM 0 H VAL A 42 -13.238 -0.532 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.983 -0.661 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.679 1.762 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.276 2.978 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.322 2.357 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.265 1.528 -9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.290 1.770 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.363 0.270 -10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.802 0.269 -9.710 1.00 0.00 H new ATOM 588 N ILE A 43 -9.383 0.082 -7.116 1.00 0.00 N ATOM 589 CA ILE A 43 -8.431 0.408 -6.061 1.00 0.00 C ATOM 590 C ILE A 43 -7.666 1.687 -6.388 1.00 0.00 C ATOM 591 O ILE A 43 -7.026 1.790 -7.434 1.00 0.00 O ATOM 592 CB ILE A 43 -7.424 -0.736 -5.837 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.160 -2.032 -5.493 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.442 -0.369 -4.735 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.571 -2.126 -4.040 1.00 0.00 C ATOM 0 H ILE A 43 -8.963 -0.325 -7.952 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.009 0.555 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.863 -0.893 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.048 -2.113 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.520 -2.880 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.737 -1.187 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.898 0.532 -5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.986 -0.189 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.088 -3.070 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.685 -2.077 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.237 -1.299 -3.796 1.00 0.00 H new ATOM 607 N ASP A 44 -7.736 2.658 -5.484 1.00 0.00 N ATOM 608 CA ASP A 44 -7.047 3.930 -5.674 1.00 0.00 C ATOM 609 C ASP A 44 -5.862 4.053 -4.722 1.00 0.00 C ATOM 610 O ASP A 44 -6.031 4.082 -3.504 1.00 0.00 O ATOM 611 CB ASP A 44 -8.015 5.094 -5.457 1.00 0.00 C ATOM 612 CG ASP A 44 -9.211 5.034 -6.386 1.00 0.00 C ATOM 613 OD1 ASP A 44 -9.789 3.937 -6.539 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.570 6.084 -6.959 1.00 0.00 O ATOM 0 H ASP A 44 -8.262 2.589 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.673 3.964 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.361 5.087 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.487 6.035 -5.610 1.00 0.00 H new ATOM 619 N ALA A 45 -4.661 4.124 -5.287 1.00 0.00 N ATOM 620 CA ALA A 45 -3.447 4.246 -4.489 1.00 0.00 C ATOM 621 C ALA A 45 -2.874 5.657 -4.571 1.00 0.00 C ATOM 622 O ALA A 45 -2.758 6.227 -5.656 1.00 0.00 O ATOM 623 CB ALA A 45 -2.412 3.227 -4.945 1.00 0.00 C ATOM 0 H ALA A 45 -4.503 4.099 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.704 4.047 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.510 3.329 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.815 2.221 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.168 3.400 -5.993 1.00 0.00 H new ATOM 629 N ARG A 46 -2.520 6.214 -3.419 1.00 0.00 N ATOM 630 CA ARG A 46 -1.961 7.560 -3.360 1.00 0.00 C ATOM 631 C ARG A 46 -1.072 7.727 -2.132 1.00 0.00 C ATOM 632 O ARG A 46 -1.455 7.358 -1.021 1.00 0.00 O ATOM 633 CB ARG A 46 -3.083 8.600 -3.337 1.00 0.00 C ATOM 634 CG ARG A 46 -3.721 8.838 -4.696 1.00 0.00 C ATOM 635 CD ARG A 46 -4.325 10.230 -4.791 1.00 0.00 C ATOM 636 NE ARG A 46 -4.710 10.567 -6.159 1.00 0.00 N ATOM 637 CZ ARG A 46 -5.808 10.106 -6.749 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.624 9.292 -6.093 1.00 0.00 N ATOM 639 NH2 ARG A 46 -6.090 10.458 -7.996 1.00 0.00 N ATOM 0 H ARG A 46 -2.610 5.755 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.351 7.713 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.852 8.277 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.685 9.543 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.972 8.711 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.495 8.091 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.199 10.291 -4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.606 10.963 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.103 11.191 -6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.409 9.019 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.466 8.939 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.464 11.083 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.933 10.104 -8.448 1.00 0.00 H new ATOM 653 N VAL A 47 0.116 8.285 -2.339 1.00 0.00 N ATOM 654 CA VAL A 47 1.060 8.501 -1.248 1.00 0.00 C ATOM 655 C VAL A 47 1.098 9.969 -0.838 1.00 0.00 C ATOM 656 O VAL A 47 1.083 10.862 -1.686 1.00 0.00 O ATOM 657 CB VAL A 47 2.480 8.051 -1.637 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.563 6.533 -1.693 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.887 8.664 -2.969 1.00 0.00 C ATOM 0 H VAL A 47 0.448 8.596 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 47 0.715 7.900 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 47 3.175 8.401 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.574 6.234 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.317 6.119 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.858 6.157 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.893 8.335 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.190 8.346 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.870 9.751 -2.890 1.00 0.00 H new ATOM 669 N HIS A 48 1.147 10.212 0.468 1.00 0.00 N ATOM 670 CA HIS A 48 1.189 11.573 0.991 1.00 0.00 C ATOM 671 C HIS A 48 2.559 11.884 1.586 1.00 0.00 C ATOM 672 O HIS A 48 2.950 11.314 2.605 1.00 0.00 O ATOM 673 CB HIS A 48 0.104 11.768 2.051 1.00 0.00 C ATOM 674 CG HIS A 48 -1.270 11.934 1.478 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.884 13.160 1.338 1.00 0.00 N ATOM 676 CD2 HIS A 48 -2.149 11.019 1.006 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.082 12.993 0.807 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.267 11.702 0.595 1.00 0.00 N ATOM 0 H HIS A 48 1.159 9.485 1.183 1.00 0.00 H new ATOM 0 HA HIS A 48 1.007 12.260 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.107 10.911 2.724 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.347 12.645 2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.999 9.950 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.790 13.778 0.584 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.104 11.281 0.192 1.00 0.00 H new ATOM 687 N THR A 49 3.286 12.793 0.942 1.00 0.00 N ATOM 688 CA THR A 49 4.612 13.179 1.406 1.00 0.00 C ATOM 689 C THR A 49 4.536 13.921 2.735 1.00 0.00 C ATOM 690 O THR A 49 3.595 14.668 3.003 1.00 0.00 O ATOM 691 CB THR A 49 5.331 14.069 0.374 1.00 0.00 C ATOM 692 OG1 THR A 49 4.638 15.313 0.233 1.00 0.00 O ATOM 693 CG2 THR A 49 5.414 13.373 -0.976 1.00 0.00 C ATOM 0 H THR A 49 2.978 13.275 0.098 1.00 0.00 H new ATOM 0 HA THR A 49 5.180 12.258 1.540 1.00 0.00 H new ATOM 0 HB THR A 49 6.344 14.256 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.769 15.157 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.925 14.020 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.968 12.440 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.408 13.159 -1.338 1.00 0.00 H new ATOM 701 N PRO A 50 5.549 13.713 3.589 1.00 0.00 N ATOM 702 CA PRO A 50 5.620 14.356 4.904 1.00 0.00 C ATOM 703 C PRO A 50 5.882 15.854 4.805 1.00 0.00 C ATOM 704 O PRO A 50 5.788 16.578 5.796 1.00 0.00 O ATOM 705 CB PRO A 50 6.798 13.651 5.580 1.00 0.00 C ATOM 706 CG PRO A 50 7.650 13.172 4.455 1.00 0.00 C ATOM 707 CD PRO A 50 6.704 12.836 3.335 1.00 0.00 C ATOM 0 HA PRO A 50 4.681 14.268 5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.347 14.332 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.459 12.822 6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.361 13.940 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.232 12.299 4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.150 13.032 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.421 11.784 3.351 1.00 0.00 H new ATOM 715 N SER A 51 6.211 16.314 3.602 1.00 0.00 N ATOM 716 CA SER A 51 6.490 17.727 3.373 1.00 0.00 C ATOM 717 C SER A 51 5.197 18.535 3.323 1.00 0.00 C ATOM 718 O SER A 51 5.140 19.667 3.801 1.00 0.00 O ATOM 719 CB SER A 51 7.271 17.910 2.070 1.00 0.00 C ATOM 720 OG SER A 51 8.563 17.338 2.165 1.00 0.00 O ATOM 0 H SER A 51 6.291 15.728 2.771 1.00 0.00 H new ATOM 0 HA SER A 51 7.094 18.092 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.725 17.448 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.356 18.972 1.840 1.00 0.00 H new ATOM 0 HG SER A 51 9.041 17.467 1.319 1.00 0.00 H new ATOM 726 N GLY A 52 4.159 17.944 2.739 1.00 0.00 N ATOM 727 CA GLY A 52 2.881 18.622 2.636 1.00 0.00 C ATOM 728 C GLY A 52 2.335 18.618 1.222 1.00 0.00 C ATOM 729 O GLY A 52 1.533 19.477 0.856 1.00 0.00 O ATOM 0 H GLY A 52 4.181 17.007 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.163 18.141 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.991 19.651 2.977 1.00 0.00 H new ATOM 733 N ALA A 53 2.770 17.649 0.424 1.00 0.00 N ATOM 734 CA ALA A 53 2.320 17.537 -0.958 1.00 0.00 C ATOM 735 C ALA A 53 1.671 16.181 -1.216 1.00 0.00 C ATOM 736 O ALA A 53 2.277 15.136 -0.979 1.00 0.00 O ATOM 737 CB ALA A 53 3.484 17.756 -1.912 1.00 0.00 C ATOM 0 H ALA A 53 3.434 16.930 0.711 1.00 0.00 H new ATOM 0 HA ALA A 53 1.571 18.309 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.133 17.669 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.902 18.750 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.253 17.006 -1.727 1.00 0.00 H new ATOM 743 N VAL A 54 0.433 16.205 -1.701 1.00 0.00 N ATOM 744 CA VAL A 54 -0.298 14.977 -1.991 1.00 0.00 C ATOM 745 C VAL A 54 0.134 14.383 -3.327 1.00 0.00 C ATOM 746 O VAL A 54 -0.241 14.881 -4.388 1.00 0.00 O ATOM 747 CB VAL A 54 -1.818 15.223 -2.018 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.558 13.951 -2.406 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.298 15.738 -0.669 1.00 0.00 C ATOM 0 H VAL A 54 -0.084 17.061 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.065 14.273 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.032 15.983 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.631 14.144 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.234 13.629 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.340 13.167 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.374 15.906 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.072 15.002 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.792 16.675 -0.436 1.00 0.00 H new ATOM 759 N GLU A 55 0.923 13.315 -3.266 1.00 0.00 N ATOM 760 CA GLU A 55 1.405 12.653 -4.473 1.00 0.00 C ATOM 761 C GLU A 55 0.451 11.542 -4.902 1.00 0.00 C ATOM 762 O GLU A 55 -0.478 11.193 -4.176 1.00 0.00 O ATOM 763 CB GLU A 55 2.804 12.078 -4.241 1.00 0.00 C ATOM 764 CG GLU A 55 3.921 13.084 -4.465 1.00 0.00 C ATOM 765 CD GLU A 55 3.921 13.652 -5.870 1.00 0.00 C ATOM 766 OE1 GLU A 55 3.553 12.914 -6.808 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.289 14.834 -6.033 1.00 0.00 O ATOM 0 H GLU A 55 1.242 12.890 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 55 1.452 13.395 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.867 11.699 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.953 11.228 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.820 13.899 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.881 12.605 -4.271 1.00 0.00 H new ATOM 774 N GLU A 56 0.689 10.992 -6.089 1.00 0.00 N ATOM 775 CA GLU A 56 -0.149 9.922 -6.616 1.00 0.00 C ATOM 776 C GLU A 56 0.675 8.664 -6.879 1.00 0.00 C ATOM 777 O GLU A 56 1.881 8.738 -7.117 1.00 0.00 O ATOM 778 CB GLU A 56 -0.839 10.372 -7.906 1.00 0.00 C ATOM 779 CG GLU A 56 0.096 11.058 -8.888 1.00 0.00 C ATOM 780 CD GLU A 56 -0.636 11.632 -10.085 1.00 0.00 C ATOM 781 OE1 GLU A 56 -1.482 12.529 -9.888 1.00 0.00 O ATOM 782 OE2 GLU A 56 -0.363 11.185 -11.219 1.00 0.00 O ATOM 0 H GLU A 56 1.455 11.270 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.908 9.689 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.288 9.505 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.652 11.053 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.631 11.858 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.844 10.343 -9.232 1.00 0.00 H new ATOM 789 N CYS A 57 0.015 7.512 -6.835 1.00 0.00 N ATOM 790 CA CYS A 57 0.685 6.238 -7.067 1.00 0.00 C ATOM 791 C CYS A 57 0.670 5.878 -8.549 1.00 0.00 C ATOM 792 O CYS A 57 0.132 6.618 -9.373 1.00 0.00 O ATOM 793 CB CYS A 57 0.015 5.130 -6.253 1.00 0.00 C ATOM 794 SG CYS A 57 0.137 5.352 -4.463 1.00 0.00 S ATOM 0 H CYS A 57 -0.983 7.434 -6.641 1.00 0.00 H new ATOM 0 HA CYS A 57 1.722 6.337 -6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.038 5.076 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.465 4.174 -6.521 1.00 0.00 H new ATOM 0 HG CYS A 57 1.222 4.783 -4.028 1.00 0.00 H new ATOM 800 N TYR A 58 1.265 4.737 -8.881 1.00 0.00 N ATOM 801 CA TYR A 58 1.324 4.280 -10.264 1.00 0.00 C ATOM 802 C TYR A 58 0.651 2.920 -10.417 1.00 0.00 C ATOM 803 O TYR A 58 1.218 1.889 -10.053 1.00 0.00 O ATOM 804 CB TYR A 58 2.776 4.200 -10.736 1.00 0.00 C ATOM 805 CG TYR A 58 2.920 4.078 -12.236 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.622 2.887 -12.887 1.00 0.00 C ATOM 807 CD2 TYR A 58 3.356 5.152 -13.001 1.00 0.00 C ATOM 808 CE1 TYR A 58 2.753 2.771 -14.258 1.00 0.00 C ATOM 809 CE2 TYR A 58 3.488 5.046 -14.372 1.00 0.00 C ATOM 810 CZ TYR A 58 3.186 3.853 -14.996 1.00 0.00 C ATOM 811 OH TYR A 58 3.317 3.742 -16.361 1.00 0.00 O ATOM 0 H TYR A 58 1.713 4.112 -8.211 1.00 0.00 H new ATOM 0 HA TYR A 58 0.789 5.001 -10.881 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.308 5.090 -10.400 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.256 3.344 -10.263 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.282 2.038 -12.312 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.596 6.086 -12.516 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.518 1.838 -14.749 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.826 5.892 -14.952 1.00 0.00 H new ATOM 0 HH TYR A 58 3.631 4.594 -16.730 1.00 0.00 H new ATOM 821 N VAL A 59 -0.562 2.924 -10.960 1.00 0.00 N ATOM 822 CA VAL A 59 -1.313 1.691 -11.165 1.00 0.00 C ATOM 823 C VAL A 59 -1.879 1.620 -12.579 1.00 0.00 C ATOM 824 O VAL A 59 -2.510 2.564 -13.054 1.00 0.00 O ATOM 825 CB VAL A 59 -2.469 1.564 -10.154 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.262 2.860 -10.084 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.372 0.397 -10.523 1.00 0.00 C ATOM 0 H VAL A 59 -1.046 3.768 -11.266 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.616 0.867 -11.015 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.047 1.371 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.074 2.751 -9.365 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.606 3.672 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.675 3.087 -11.067 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.183 0.321 -9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.787 0.559 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.793 -0.527 -10.517 1.00 0.00 H new ATOM 917 N LYS A 66 -6.147 -8.472 -8.421 1.00 0.00 N ATOM 918 CA LYS A 66 -5.100 -7.773 -7.685 1.00 0.00 C ATOM 919 C LYS A 66 -4.646 -6.526 -8.437 1.00 0.00 C ATOM 920 O LYS A 66 -4.607 -6.511 -9.668 1.00 0.00 O ATOM 921 CB LYS A 66 -3.907 -8.701 -7.448 1.00 0.00 C ATOM 922 CG LYS A 66 -4.102 -9.657 -6.283 1.00 0.00 C ATOM 923 CD LYS A 66 -2.899 -10.567 -6.102 1.00 0.00 C ATOM 924 CE LYS A 66 -2.959 -11.764 -7.039 1.00 0.00 C ATOM 925 NZ LYS A 66 -3.736 -12.890 -6.451 1.00 0.00 N ATOM 0 HA LYS A 66 -5.510 -7.467 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.721 -9.278 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.018 -8.097 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.270 -9.088 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.994 -10.260 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.984 -10.004 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.856 -10.914 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.413 -11.464 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.947 -12.100 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.227 -13.406 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.090 -13.536 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.435 -12.515 -5.778 1.00 0.00 H new ATOM 939 N HIS A 67 -4.302 -5.482 -7.690 1.00 0.00 N ATOM 940 CA HIS A 67 -3.849 -4.231 -8.287 1.00 0.00 C ATOM 941 C HIS A 67 -2.378 -3.979 -7.968 1.00 0.00 C ATOM 942 O HIS A 67 -1.955 -4.080 -6.816 1.00 0.00 O ATOM 943 CB HIS A 67 -4.699 -3.064 -7.785 1.00 0.00 C ATOM 944 CG HIS A 67 -6.093 -3.059 -8.332 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.550 -2.108 -9.220 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.133 -3.898 -8.114 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.810 -2.362 -9.523 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.188 -3.443 -8.865 1.00 0.00 N ATOM 0 H HIS A 67 -4.328 -5.478 -6.670 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.960 -4.312 -9.368 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.745 -3.101 -6.697 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.209 -2.127 -8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.133 -4.764 -7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.427 -1.784 -10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.113 -3.870 -8.908 1.00 0.00 H new ATOM 957 N THR A 68 -1.602 -3.651 -8.997 1.00 0.00 N ATOM 958 CA THR A 68 -0.179 -3.386 -8.827 1.00 0.00 C ATOM 959 C THR A 68 0.082 -1.900 -8.607 1.00 0.00 C ATOM 960 O THR A 68 -0.437 -1.055 -9.336 1.00 0.00 O ATOM 961 CB THR A 68 0.631 -3.863 -10.047 1.00 0.00 C ATOM 962 OG1 THR A 68 0.235 -5.190 -10.410 1.00 0.00 O ATOM 963 CG2 THR A 68 2.123 -3.836 -9.751 1.00 0.00 C ATOM 0 H THR A 68 -1.936 -3.563 -9.957 1.00 0.00 H new ATOM 0 HA THR A 68 0.143 -3.942 -7.947 1.00 0.00 H new ATOM 0 HB THR A 68 0.429 -3.185 -10.876 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.754 -5.485 -11.187 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.674 -4.177 -10.627 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.427 -2.819 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.339 -4.493 -8.908 1.00 0.00 H new ATOM 971 N ILE A 69 0.888 -1.589 -7.598 1.00 0.00 N ATOM 972 CA ILE A 69 1.219 -0.204 -7.284 1.00 0.00 C ATOM 973 C ILE A 69 2.724 0.032 -7.357 1.00 0.00 C ATOM 974 O ILE A 69 3.517 -0.853 -7.035 1.00 0.00 O ATOM 975 CB ILE A 69 0.716 0.191 -5.883 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.640 -0.460 -5.602 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.618 1.704 -5.763 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.745 0.026 -6.514 1.00 0.00 C ATOM 0 H ILE A 69 1.324 -2.277 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 69 0.720 0.416 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 69 1.431 -0.167 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.543 -1.541 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.921 -0.263 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.261 1.968 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.601 2.146 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.078 2.084 -6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.677 -0.478 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.869 1.102 -6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.486 -0.195 -7.549 1.00 0.00 H new ATOM 990 N ARG A 70 3.109 1.231 -7.780 1.00 0.00 N ATOM 991 CA ARG A 70 4.519 1.584 -7.895 1.00 0.00 C ATOM 992 C ARG A 70 4.738 3.058 -7.566 1.00 0.00 C ATOM 993 O ARG A 70 4.159 3.939 -8.201 1.00 0.00 O ATOM 994 CB ARG A 70 5.029 1.283 -9.305 1.00 0.00 C ATOM 995 CG ARG A 70 6.516 0.974 -9.362 1.00 0.00 C ATOM 996 CD ARG A 70 6.949 0.574 -10.764 1.00 0.00 C ATOM 997 NE ARG A 70 7.286 1.734 -11.584 1.00 0.00 N ATOM 998 CZ ARG A 70 8.289 2.560 -11.312 1.00 0.00 C ATOM 999 NH1 ARG A 70 9.051 2.355 -10.247 1.00 0.00 N ATOM 1000 NH2 ARG A 70 8.533 3.595 -12.107 1.00 0.00 N ATOM 0 H ARG A 70 2.465 1.975 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 70 5.078 0.982 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.475 0.436 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.819 2.138 -9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.083 1.848 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.748 0.169 -8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.812 -0.089 -10.702 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.149 0.011 -11.244 1.00 0.00 H new ATOM 0 HE ARG A 70 6.719 1.920 -12.412 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.867 1.561 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.821 2.991 -10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.949 3.756 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.304 4.229 -11.897 1.00 0.00 H new ATOM 1014 N PHE A 71 5.579 3.318 -6.570 1.00 0.00 N ATOM 1015 CA PHE A 71 5.874 4.685 -6.156 1.00 0.00 C ATOM 1016 C PHE A 71 7.194 4.749 -5.393 1.00 0.00 C ATOM 1017 O PHE A 71 7.558 3.813 -4.682 1.00 0.00 O ATOM 1018 CB PHE A 71 4.741 5.232 -5.285 1.00 0.00 C ATOM 1019 CG PHE A 71 4.422 4.364 -4.102 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.327 4.228 -3.062 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.217 3.684 -4.030 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.036 3.430 -1.971 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.920 2.885 -2.942 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.831 2.757 -1.912 1.00 0.00 C ATOM 0 H PHE A 71 6.068 2.600 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 71 5.963 5.299 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.012 6.227 -4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.845 5.343 -5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.271 4.751 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.501 3.779 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.750 3.333 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.977 2.361 -2.897 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.602 2.132 -1.062 1.00 0.00 H new ATOM 1034 N ILE A 72 7.906 5.860 -5.548 1.00 0.00 N ATOM 1035 CA ILE A 72 9.185 6.047 -4.874 1.00 0.00 C ATOM 1036 C ILE A 72 9.129 7.224 -3.906 1.00 0.00 C ATOM 1037 O ILE A 72 8.770 8.344 -4.270 1.00 0.00 O ATOM 1038 CB ILE A 72 10.324 6.281 -5.884 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.590 5.008 -6.690 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.586 6.732 -5.163 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.483 5.230 -7.891 1.00 0.00 C ATOM 0 H ILE A 72 7.619 6.644 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 72 9.386 5.131 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 72 10.022 7.069 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.049 4.264 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.639 4.595 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.382 6.893 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.388 7.662 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.893 5.964 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.629 4.286 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.016 5.950 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.448 5.614 -7.561 1.00 0.00 H new ATOM 1053 N PRO A 73 9.494 6.967 -2.641 1.00 0.00 N ATOM 1054 CA PRO A 73 9.497 7.993 -1.594 1.00 0.00 C ATOM 1055 C PRO A 73 10.593 9.032 -1.803 1.00 0.00 C ATOM 1056 O PRO A 73 11.709 8.879 -1.307 1.00 0.00 O ATOM 1057 CB PRO A 73 9.755 7.193 -0.314 1.00 0.00 C ATOM 1058 CG PRO A 73 10.477 5.972 -0.770 1.00 0.00 C ATOM 1059 CD PRO A 73 9.933 5.655 -2.136 1.00 0.00 C ATOM 0 HA PRO A 73 8.567 8.561 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.353 7.764 0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.822 6.937 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.552 6.146 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.313 5.142 -0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.694 5.211 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.106 4.947 -2.085 1.00 0.00 H new ATOM 1067 N HIS A 74 10.267 10.089 -2.540 1.00 0.00 N ATOM 1068 CA HIS A 74 11.225 11.155 -2.813 1.00 0.00 C ATOM 1069 C HIS A 74 11.975 11.550 -1.545 1.00 0.00 C ATOM 1070 O HIS A 74 13.203 11.502 -1.499 1.00 0.00 O ATOM 1071 CB HIS A 74 10.510 12.374 -3.398 1.00 0.00 C ATOM 1072 CG HIS A 74 10.284 12.284 -4.876 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.878 11.126 -5.506 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.409 13.216 -5.849 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.764 11.351 -6.803 1.00 0.00 C ATOM 1076 NE2 HIS A 74 10.080 12.612 -7.037 1.00 0.00 N ATOM 0 H HIS A 74 9.348 10.230 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 74 11.947 10.783 -3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.549 12.495 -2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.096 13.267 -3.182 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.695 10.236 -5.043 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.711 14.244 -5.716 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.463 10.627 -7.546 1.00 0.00 H new ATOM 1085 N GLU A 75 11.226 11.941 -0.518 1.00 0.00 N ATOM 1086 CA GLU A 75 11.822 12.346 0.750 1.00 0.00 C ATOM 1087 C GLU A 75 11.612 11.275 1.816 1.00 0.00 C ATOM 1088 O GLU A 75 10.639 10.523 1.773 1.00 0.00 O ATOM 1089 CB GLU A 75 11.222 13.673 1.220 1.00 0.00 C ATOM 1090 CG GLU A 75 11.736 14.127 2.576 1.00 0.00 C ATOM 1091 CD GLU A 75 13.236 14.350 2.586 1.00 0.00 C ATOM 1092 OE1 GLU A 75 13.709 15.236 1.843 1.00 0.00 O ATOM 1093 OE2 GLU A 75 13.936 13.639 3.337 1.00 0.00 O ATOM 0 H GLU A 75 10.207 11.986 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 75 12.893 12.474 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.442 14.443 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.137 13.576 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.233 15.051 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.478 13.380 3.327 1.00 0.00 H new ATOM 1100 N ASN A 76 12.533 11.211 2.772 1.00 0.00 N ATOM 1101 CA ASN A 76 12.451 10.232 3.849 1.00 0.00 C ATOM 1102 C ASN A 76 11.238 10.497 4.735 1.00 0.00 C ATOM 1103 O ASN A 76 10.542 11.499 4.569 1.00 0.00 O ATOM 1104 CB ASN A 76 13.728 10.261 4.692 1.00 0.00 C ATOM 1105 CG ASN A 76 14.785 9.306 4.173 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.397 8.056 3.954 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.938 9.689 3.972 1.00 0.00 N flip ATOM 0 H ASN A 76 13.345 11.826 2.823 1.00 0.00 H new ATOM 0 HA ASN A 76 12.342 9.245 3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.131 11.274 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.485 10.004 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.192 10.660 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.639 9.035 3.623 1.00 0.00 H new ATOM 1114 N GLY A 77 10.989 9.592 5.677 1.00 0.00 N ATOM 1115 CA GLY A 77 9.860 9.747 6.575 1.00 0.00 C ATOM 1116 C GLY A 77 8.746 8.762 6.281 1.00 0.00 C ATOM 1117 O GLY A 77 8.734 8.123 5.229 1.00 0.00 O ATOM 0 H GLY A 77 11.549 8.754 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.197 9.614 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.473 10.763 6.495 1.00 0.00 H new ATOM 1121 N VAL A 78 7.808 8.636 7.214 1.00 0.00 N ATOM 1122 CA VAL A 78 6.685 7.721 7.050 1.00 0.00 C ATOM 1123 C VAL A 78 5.636 8.301 6.107 1.00 0.00 C ATOM 1124 O VAL A 78 5.088 9.375 6.356 1.00 0.00 O ATOM 1125 CB VAL A 78 6.021 7.400 8.402 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.817 6.491 8.204 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.026 6.766 9.352 1.00 0.00 C ATOM 0 H VAL A 78 7.804 9.156 8.091 1.00 0.00 H new ATOM 0 HA VAL A 78 7.086 6.802 6.622 1.00 0.00 H new ATOM 0 HB VAL A 78 5.673 8.333 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.361 6.275 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.089 6.986 7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.137 5.559 7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.540 6.546 10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.406 5.842 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.854 7.455 9.519 1.00 0.00 H new ATOM 1137 N HIS A 79 5.362 7.582 5.023 1.00 0.00 N ATOM 1138 CA HIS A 79 4.377 8.025 4.042 1.00 0.00 C ATOM 1139 C HIS A 79 3.019 7.384 4.308 1.00 0.00 C ATOM 1140 O HIS A 79 2.936 6.294 4.874 1.00 0.00 O ATOM 1141 CB HIS A 79 4.847 7.683 2.627 1.00 0.00 C ATOM 1142 CG HIS A 79 6.137 8.342 2.249 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.101 8.695 3.170 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.622 8.711 1.040 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.121 9.254 2.545 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.856 9.275 1.251 1.00 0.00 N ATOM 0 H HIS A 79 5.807 6.691 4.802 1.00 0.00 H new ATOM 0 HA HIS A 79 4.272 9.106 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.962 6.602 2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.076 7.978 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.130 8.585 0.087 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.019 9.630 3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.469 9.649 0.526 1.00 0.00 H new ATOM 1155 N SER A 80 1.956 8.069 3.897 1.00 0.00 N ATOM 1156 CA SER A 80 0.601 7.569 4.096 1.00 0.00 C ATOM 1157 C SER A 80 0.016 7.050 2.785 1.00 0.00 C ATOM 1158 O SER A 80 -0.180 7.811 1.837 1.00 0.00 O ATOM 1159 CB SER A 80 -0.294 8.671 4.667 1.00 0.00 C ATOM 1160 OG SER A 80 -0.154 8.763 6.074 1.00 0.00 O ATOM 0 H SER A 80 2.007 8.971 3.424 1.00 0.00 H new ATOM 0 HA SER A 80 0.645 6.743 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.037 9.626 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.334 8.466 4.414 1.00 0.00 H new ATOM 0 HG SER A 80 -0.735 9.475 6.415 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.261 5.752 2.741 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.825 5.132 1.548 1.00 0.00 C ATOM 1168 C ILE A 81 -2.346 5.066 1.630 1.00 0.00 C ATOM 1169 O ILE A 81 -2.904 4.270 2.385 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.272 3.710 1.338 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.215 3.659 1.696 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.492 3.263 -0.099 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.107 4.310 0.662 1.00 0.00 C ATOM 0 H ILE A 81 -0.104 5.109 3.517 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.535 5.755 0.702 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.808 3.027 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.366 4.151 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.515 2.619 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.096 2.256 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.559 3.265 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.021 3.947 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.147 4.237 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.984 3.803 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.833 5.360 0.554 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.012 5.908 0.846 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.469 5.944 0.826 1.00 0.00 C ATOM 1187 C ASP A 82 -5.026 4.904 -0.141 1.00 0.00 C ATOM 1188 O ASP A 82 -4.895 5.040 -1.358 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.961 7.338 0.434 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.473 7.447 0.459 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.136 6.674 -0.263 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.993 8.306 1.201 1.00 0.00 O ATOM 0 H ASP A 82 -2.565 6.574 0.216 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.827 5.710 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.535 8.075 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.599 7.580 -0.565 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.646 3.865 0.408 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.223 2.801 -0.406 1.00 0.00 C ATOM 1199 C VAL A 83 -7.742 2.770 -0.274 1.00 0.00 C ATOM 1200 O VAL A 83 -8.280 2.299 0.728 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.657 1.424 -0.013 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.254 0.331 -0.887 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.138 1.425 -0.110 1.00 0.00 C ATOM 0 H VAL A 83 -5.762 3.737 1.413 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.955 3.014 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.933 1.220 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.842 -0.635 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.337 0.316 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.012 0.527 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.755 0.444 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.839 1.652 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.731 2.180 0.563 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.429 3.275 -1.294 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.886 3.304 -1.294 1.00 0.00 C ATOM 1215 C LYS A 84 -10.452 2.208 -2.191 1.00 0.00 C ATOM 1216 O LYS A 84 -9.793 1.756 -3.128 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.389 4.672 -1.763 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.400 5.724 -0.668 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.248 6.923 -1.056 1.00 0.00 C ATOM 1220 CE LYS A 84 -11.389 7.903 0.099 1.00 0.00 C ATOM 1221 NZ LYS A 84 -12.540 8.828 -0.095 1.00 0.00 N ATOM 0 H LYS A 84 -7.999 3.670 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.228 3.127 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.760 5.019 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.398 4.562 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.785 5.287 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.380 6.049 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.797 7.428 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.235 6.585 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.520 7.351 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.471 8.482 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.602 9.480 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.403 9.374 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.420 8.278 -0.164 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.678 1.785 -1.900 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.332 0.742 -2.681 1.00 0.00 C ATOM 1237 C PHE A 85 -13.817 1.045 -2.857 1.00 0.00 C ATOM 1238 O PHE A 85 -14.590 0.991 -1.902 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.155 -0.619 -2.003 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.519 -1.779 -2.885 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.784 -2.056 -4.026 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.596 -2.593 -2.573 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.115 -3.123 -4.840 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.932 -3.662 -3.382 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.191 -3.927 -4.517 1.00 0.00 C ATOM 0 H PHE A 85 -12.238 2.149 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.865 0.714 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.118 -0.726 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.769 -0.650 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.942 -1.431 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.180 -2.390 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.534 -3.328 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.773 -4.290 -3.127 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.452 -4.761 -5.151 1.00 0.00 H new ATOM 1255 N ASN A 86 -14.208 1.366 -4.086 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.600 1.679 -4.389 1.00 0.00 C ATOM 1257 C ASN A 86 -16.150 2.712 -3.410 1.00 0.00 C ATOM 1258 O ASN A 86 -17.240 2.547 -2.865 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.452 0.410 -4.341 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.280 -0.449 -5.579 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -15.964 0.053 -6.658 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.486 -1.753 -5.428 1.00 0.00 N ATOM 0 H ASN A 86 -13.580 1.416 -4.888 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.642 2.098 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.184 -0.171 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.502 0.684 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.384 -2.381 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.747 -2.126 -4.515 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.386 3.778 -3.191 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.813 4.822 -2.279 1.00 0.00 C ATOM 1271 C GLY A 87 -15.878 4.345 -0.841 1.00 0.00 C ATOM 1272 O GLY A 87 -16.921 4.436 -0.196 1.00 0.00 O ATOM 0 H GLY A 87 -14.479 3.937 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -15.125 5.665 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.794 5.186 -2.582 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.759 3.834 -0.339 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.692 3.341 1.032 1.00 0.00 C ATOM 1278 C ALA A 88 -13.246 3.168 1.483 1.00 0.00 C ATOM 1279 O ALA A 88 -12.378 2.796 0.692 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.447 2.026 1.157 1.00 0.00 C ATOM 0 H ALA A 88 -13.886 3.750 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.161 4.080 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.389 1.669 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.491 2.179 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.003 1.287 0.491 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.992 3.441 2.759 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.650 3.315 3.316 1.00 0.00 C ATOM 1288 C HIS A 89 -11.433 1.924 3.903 1.00 0.00 C ATOM 1289 O HIS A 89 -12.220 1.459 4.728 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.420 4.377 4.391 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.841 5.652 3.860 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.484 5.879 3.761 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.443 6.772 3.396 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.277 7.084 3.260 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.450 7.647 3.029 1.00 0.00 N ATOM 0 H HIS A 89 -13.698 3.751 3.427 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.933 3.464 2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.368 4.595 4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.752 3.973 5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.507 6.945 3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.313 7.533 3.071 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.594 8.579 2.641 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.363 1.265 3.472 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.044 -0.072 3.956 1.00 0.00 C ATOM 1306 C ILE A 90 -9.537 -0.030 5.394 1.00 0.00 C ATOM 1307 O ILE A 90 -8.946 0.953 5.841 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.984 -0.754 3.070 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.636 -0.044 3.212 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.435 -0.760 1.616 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.450 -0.936 2.916 1.00 0.00 C ATOM 0 H ILE A 90 -9.702 1.635 2.789 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.967 -0.650 3.915 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.866 -1.787 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.613 0.813 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.544 0.345 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.676 -1.245 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.375 -1.305 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.577 0.265 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.528 -0.367 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.448 -1.780 3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.518 -1.304 1.892 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.769 -1.123 6.135 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.342 -1.238 7.533 1.00 0.00 C ATOM 1325 C PRO A 91 -7.827 -1.348 7.669 1.00 0.00 C ATOM 1326 O PRO A 91 -7.244 -2.393 7.385 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.017 -2.527 8.006 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.216 -3.328 6.765 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.467 -2.332 5.666 1.00 0.00 C ATOM 0 HA PRO A 91 -9.616 -0.359 8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.394 -3.059 8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.966 -2.319 8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.338 -3.936 6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.058 -4.011 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.072 -2.679 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.532 -2.151 5.523 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.196 -0.262 8.105 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.754 -0.259 8.272 1.00 0.00 C ATOM 1339 C GLY A 92 -5.093 0.914 7.575 1.00 0.00 C ATOM 1340 O GLY A 92 -3.981 1.307 7.927 1.00 0.00 O ATOM 0 H GLY A 92 -7.657 0.615 8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.514 -0.228 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.344 -1.189 7.879 1.00 0.00 H new ATOM 1344 N SER A 93 -5.778 1.473 6.583 1.00 0.00 N ATOM 1345 CA SER A 93 -5.247 2.604 5.831 1.00 0.00 C ATOM 1346 C SER A 93 -5.547 3.919 6.545 1.00 0.00 C ATOM 1347 O SER A 93 -6.516 4.041 7.294 1.00 0.00 O ATOM 1348 CB SER A 93 -5.840 2.630 4.421 1.00 0.00 C ATOM 1349 OG SER A 93 -5.956 3.958 3.940 1.00 0.00 O ATOM 0 H SER A 93 -6.701 1.162 6.281 1.00 0.00 H new ATOM 0 HA SER A 93 -4.166 2.486 5.760 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.209 2.050 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.821 2.155 4.427 1.00 0.00 H new ATOM 0 HG SER A 93 -6.605 3.985 3.207 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.695 4.928 6.308 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.538 4.794 5.418 1.00 0.00 C ATOM 1357 C PRO A 94 -2.458 3.890 6.004 1.00 0.00 C ATOM 1358 O PRO A 94 -2.228 3.885 7.213 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.022 6.229 5.289 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.480 6.910 6.532 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.796 6.277 6.890 1.00 0.00 C ATOM 0 HA PRO A 94 -3.807 4.336 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.936 6.253 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.424 6.716 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.755 6.784 7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.594 7.982 6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.943 6.239 7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.636 6.833 6.473 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.799 3.127 5.139 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.743 2.218 5.571 1.00 0.00 C ATOM 1371 C PHE A 95 0.561 2.974 5.810 1.00 0.00 C ATOM 1372 O PHE A 95 1.249 3.362 4.866 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.526 1.121 4.527 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.611 0.082 4.514 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.854 -0.698 5.632 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.388 -0.113 3.383 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.852 -1.655 5.624 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.387 -1.068 3.369 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.619 -1.840 4.490 1.00 0.00 C ATOM 0 H PHE A 95 -1.977 3.120 4.135 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.054 1.760 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.460 1.578 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.430 0.634 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.257 -0.557 6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.211 0.488 2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.032 -2.257 6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.986 -1.210 2.482 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.399 -2.587 4.480 1.00 0.00 H new ATOM 1389 N LYS A 96 0.894 3.180 7.079 1.00 0.00 N ATOM 1390 CA LYS A 96 2.115 3.888 7.445 1.00 0.00 C ATOM 1391 C LYS A 96 3.346 3.035 7.158 1.00 0.00 C ATOM 1392 O LYS A 96 3.639 2.087 7.887 1.00 0.00 O ATOM 1393 CB LYS A 96 2.082 4.272 8.926 1.00 0.00 C ATOM 1394 CG LYS A 96 1.021 5.306 9.263 1.00 0.00 C ATOM 1395 CD LYS A 96 1.448 6.701 8.839 1.00 0.00 C ATOM 1396 CE LYS A 96 0.438 7.750 9.277 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.958 9.133 9.090 1.00 0.00 N ATOM 0 H LYS A 96 0.335 2.866 7.872 1.00 0.00 H new ATOM 0 HA LYS A 96 2.174 4.794 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.906 3.376 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.059 4.659 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.086 5.044 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.827 5.294 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.423 6.931 9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.562 6.734 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.483 7.628 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.186 7.596 10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.453 9.783 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.974 9.154 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.810 9.429 8.104 1.00 0.00 H new ATOM 1411 N ILE A 97 4.062 3.377 6.092 1.00 0.00 N ATOM 1412 CA ILE A 97 5.262 2.643 5.711 1.00 0.00 C ATOM 1413 C ILE A 97 6.520 3.444 6.029 1.00 0.00 C ATOM 1414 O ILE A 97 6.599 4.638 5.736 1.00 0.00 O ATOM 1415 CB ILE A 97 5.256 2.293 4.212 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.064 3.557 3.371 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.162 1.279 3.910 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.304 3.341 1.893 1.00 0.00 C ATOM 0 H ILE A 97 3.832 4.158 5.477 1.00 0.00 H new ATOM 0 HA ILE A 97 5.265 1.720 6.291 1.00 0.00 H new ATOM 0 HB ILE A 97 6.218 1.850 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.050 3.929 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.742 4.330 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.170 1.041 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.339 0.371 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.193 1.698 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.150 4.278 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.327 2.998 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.608 2.591 1.517 1.00 0.00 H new ATOM 1430 N ARG A 98 7.503 2.780 6.628 1.00 0.00 N ATOM 1431 CA ARG A 98 8.758 3.429 6.985 1.00 0.00 C ATOM 1432 C ARG A 98 9.727 3.426 5.806 1.00 0.00 C ATOM 1433 O ARG A 98 9.867 2.422 5.107 1.00 0.00 O ATOM 1434 CB ARG A 98 9.397 2.728 8.186 1.00 0.00 C ATOM 1435 CG ARG A 98 10.529 3.518 8.821 1.00 0.00 C ATOM 1436 CD ARG A 98 11.862 3.214 8.156 1.00 0.00 C ATOM 1437 NE ARG A 98 12.964 3.942 8.780 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.457 3.644 9.977 1.00 0.00 C ATOM 1439 NH1 ARG A 98 12.949 2.638 10.675 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.461 4.354 10.477 1.00 0.00 N ATOM 0 H ARG A 98 7.454 1.792 6.876 1.00 0.00 H new ATOM 0 HA ARG A 98 8.539 4.463 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.630 2.541 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.776 1.756 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.318 4.585 8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.589 3.281 9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.058 2.143 8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.808 3.475 7.099 1.00 0.00 H new ATOM 0 HE ARG A 98 13.378 4.722 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.178 2.091 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.329 2.411 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.854 5.128 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.839 4.125 11.396 1.00 0.00 H new ATOM 1454 N VAL A 99 10.393 4.556 5.590 1.00 0.00 N ATOM 1455 CA VAL A 99 11.348 4.684 4.497 1.00 0.00 C ATOM 1456 C VAL A 99 12.692 5.200 4.998 1.00 0.00 C ATOM 1457 O VAL A 99 12.871 6.400 5.202 1.00 0.00 O ATOM 1458 CB VAL A 99 10.824 5.630 3.401 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.873 5.827 2.318 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.529 5.094 2.809 1.00 0.00 C ATOM 0 H VAL A 99 10.288 5.396 6.158 1.00 0.00 H new ATOM 0 HA VAL A 99 11.479 3.688 4.074 1.00 0.00 H new ATOM 0 HB VAL A 99 10.617 6.600 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.484 6.498 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.772 6.259 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.116 4.865 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.173 5.775 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.708 4.111 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.777 5.011 3.594 1.00 0.00 H new