USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 765 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 68 SER OG : rot -86:sc= 0.122 USER MOD Set 1.2: A 69 GLN : amide:sc= -3.4! C(o=-3.3!,f=-8.7!) USER MOD Single : A 6 SER OG : rot -30:sc= 0.104 USER MOD Single : A 9 THR OG1 : rot 15:sc= 0.336 USER MOD Single : A 11 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.6) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.976 USER MOD Single : A 22 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.23) USER MOD Single : A 24 LYS NZ :NH3+ -125:sc= -0.881 (180deg=-2.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 34 HIS : no HD1:sc= 0.155 K(o=0.16,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0368 (180deg=-0.605) USER MOD Single : A 43 THR OG1 : rot -47:sc= 0.386 USER MOD Single : A 50 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 52 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.7) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= -1.46 (180deg=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.52) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -4.78! (180deg=-7.24!) USER MOD Single : A 82 GLN :FLIP amide:sc= -2.56 F(o=-3.5,f=-2.6) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -3.27! (180deg=-3.91!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.37) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.177 F(o=-1.5,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 6 13.391 -0.393 6.334 1.00 0.00 N ATOM 70 CA SER A 6 12.660 0.449 5.420 1.00 0.00 C ATOM 71 C SER A 6 11.175 0.128 5.519 1.00 0.00 C ATOM 72 O SER A 6 10.743 -0.563 6.433 1.00 0.00 O ATOM 73 CB SER A 6 13.158 0.241 3.989 1.00 0.00 C ATOM 74 OG SER A 6 12.981 -1.122 3.622 1.00 0.00 O ATOM 0 HA SER A 6 12.820 1.494 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.610 0.888 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.210 0.516 3.915 1.00 0.00 H new ATOM 0 HG SER A 6 13.044 -1.687 4.420 1.00 0.00 H new ATOM 80 N ALA A 7 10.413 0.631 4.567 1.00 0.00 N ATOM 81 CA ALA A 7 8.967 0.403 4.521 1.00 0.00 C ATOM 82 C ALA A 7 8.308 1.476 3.677 1.00 0.00 C ATOM 83 O ALA A 7 7.203 1.293 3.166 1.00 0.00 O ATOM 84 CB ALA A 7 8.357 0.438 5.923 1.00 0.00 C ATOM 0 H ALA A 7 10.769 1.207 3.804 1.00 0.00 H new ATOM 0 HA ALA A 7 8.796 -0.582 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.283 0.266 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.812 -0.339 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.541 1.412 6.376 1.00 0.00 H new ATOM 90 N VAL A 8 8.996 2.600 3.545 1.00 0.00 N ATOM 91 CA VAL A 8 8.479 3.709 2.769 1.00 0.00 C ATOM 92 C VAL A 8 9.623 4.605 2.311 1.00 0.00 C ATOM 93 O VAL A 8 10.688 4.634 2.930 1.00 0.00 O ATOM 94 CB VAL A 8 7.471 4.506 3.613 1.00 0.00 C ATOM 95 CG1 VAL A 8 8.217 5.415 4.598 1.00 0.00 C ATOM 96 CG2 VAL A 8 6.578 5.361 2.706 1.00 0.00 C ATOM 0 H VAL A 8 9.911 2.765 3.965 1.00 0.00 H new ATOM 0 HA VAL A 8 7.970 3.325 1.885 1.00 0.00 H new ATOM 0 HB VAL A 8 6.849 3.803 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.496 5.976 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.836 4.807 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.850 6.109 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.869 5.920 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.196 6.057 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.034 4.715 2.018 1.00 0.00 H new ATOM 106 N THR A 9 9.399 5.320 1.216 1.00 0.00 N ATOM 107 CA THR A 9 10.419 6.201 0.665 1.00 0.00 C ATOM 108 C THR A 9 9.773 7.379 -0.063 1.00 0.00 C ATOM 109 O THR A 9 8.724 7.231 -0.691 1.00 0.00 O ATOM 110 CB THR A 9 11.302 5.395 -0.292 1.00 0.00 C ATOM 111 OG1 THR A 9 12.270 4.675 0.459 1.00 0.00 O ATOM 112 CG2 THR A 9 12.013 6.330 -1.276 1.00 0.00 C ATOM 0 H THR A 9 8.523 5.307 0.694 1.00 0.00 H new ATOM 0 HA THR A 9 11.030 6.604 1.473 1.00 0.00 H new ATOM 0 HB THR A 9 10.676 4.702 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.008 4.662 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.637 5.743 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.272 6.880 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.637 7.033 -0.724 1.00 0.00 H new ATOM 120 N VAL A 10 10.412 8.543 0.028 1.00 0.00 N ATOM 121 CA VAL A 10 9.908 9.751 -0.620 1.00 0.00 C ATOM 122 C VAL A 10 10.858 10.193 -1.730 1.00 0.00 C ATOM 123 O VAL A 10 11.920 10.761 -1.466 1.00 0.00 O ATOM 124 CB VAL A 10 9.750 10.878 0.410 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.428 10.701 1.163 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.914 10.838 1.409 1.00 0.00 C ATOM 0 H VAL A 10 11.281 8.675 0.545 1.00 0.00 H new ATOM 0 HA VAL A 10 8.934 9.529 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 10 9.752 11.838 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.316 11.501 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.599 10.737 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.427 9.739 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.796 11.640 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.918 9.878 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.856 10.968 0.876 1.00 0.00 H new ATOM 136 N ASN A 11 10.464 9.928 -2.969 1.00 0.00 N ATOM 137 CA ASN A 11 11.279 10.297 -4.124 1.00 0.00 C ATOM 138 C ASN A 11 10.858 11.667 -4.654 1.00 0.00 C ATOM 139 O ASN A 11 10.342 12.499 -3.906 1.00 0.00 O ATOM 140 CB ASN A 11 11.130 9.234 -5.220 1.00 0.00 C ATOM 141 CG ASN A 11 11.551 7.867 -4.685 1.00 0.00 C ATOM 142 OD1 ASN A 11 12.517 7.767 -3.926 1.00 0.00 O ATOM 143 ND2 ASN A 11 10.885 6.802 -5.041 1.00 0.00 N ATOM 0 H ASN A 11 9.588 9.460 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 11 12.324 10.352 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.096 9.196 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.742 9.500 -6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.164 5.885 -4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.086 6.887 -5.669 1.00 0.00 H new ATOM 150 N ASP A 12 11.070 11.891 -5.948 1.00 0.00 N ATOM 151 CA ASP A 12 10.702 13.156 -6.574 1.00 0.00 C ATOM 152 C ASP A 12 9.464 12.948 -7.430 1.00 0.00 C ATOM 153 O ASP A 12 8.997 13.860 -8.114 1.00 0.00 O ATOM 154 CB ASP A 12 11.852 13.661 -7.448 1.00 0.00 C ATOM 155 CG ASP A 12 13.052 14.028 -6.578 1.00 0.00 C ATOM 156 OD1 ASP A 12 13.607 13.134 -5.957 1.00 0.00 O ATOM 157 OD2 ASP A 12 13.400 15.196 -6.547 1.00 0.00 O ATOM 0 H ASP A 12 11.494 11.214 -6.582 1.00 0.00 H new ATOM 0 HA ASP A 12 10.495 13.895 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.136 12.893 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.529 14.530 -8.021 1.00 0.00 H new ATOM 162 N ASP A 13 8.955 11.723 -7.389 1.00 0.00 N ATOM 163 CA ASP A 13 7.783 11.350 -8.161 1.00 0.00 C ATOM 164 C ASP A 13 6.576 11.176 -7.244 1.00 0.00 C ATOM 165 O ASP A 13 5.428 11.273 -7.682 1.00 0.00 O ATOM 166 CB ASP A 13 8.088 10.040 -8.891 1.00 0.00 C ATOM 167 CG ASP A 13 6.928 9.643 -9.797 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.530 10.461 -10.612 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.462 8.524 -9.671 1.00 0.00 O ATOM 0 H ASP A 13 9.342 10.967 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 13 7.547 12.133 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.996 10.151 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.276 9.249 -8.165 1.00 0.00 H new ATOM 174 N GLY A 14 6.850 10.926 -5.965 1.00 0.00 N ATOM 175 CA GLY A 14 5.791 10.744 -4.981 1.00 0.00 C ATOM 176 C GLY A 14 6.312 9.993 -3.764 1.00 0.00 C ATOM 177 O GLY A 14 7.258 10.433 -3.107 1.00 0.00 O ATOM 0 H GLY A 14 7.795 10.845 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.400 11.715 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.963 10.193 -5.428 1.00 0.00 H new ATOM 181 N LEU A 15 5.684 8.861 -3.468 1.00 0.00 N ATOM 182 CA LEU A 15 6.086 8.058 -2.320 1.00 0.00 C ATOM 183 C LEU A 15 5.843 6.575 -2.571 1.00 0.00 C ATOM 184 O LEU A 15 4.806 6.184 -3.109 1.00 0.00 O ATOM 185 CB LEU A 15 5.300 8.492 -1.078 1.00 0.00 C ATOM 186 CG LEU A 15 3.826 8.717 -1.441 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.941 7.798 -0.596 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.451 10.178 -1.169 1.00 0.00 C ATOM 0 H LEU A 15 4.902 8.481 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 15 7.153 8.215 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.380 7.730 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.726 9.408 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 15 3.676 8.492 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.895 7.960 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.206 6.759 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.091 8.020 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.404 10.339 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.604 10.402 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.078 10.833 -1.773 1.00 0.00 H new ATOM 200 N VAL A 16 6.803 5.756 -2.151 1.00 0.00 N ATOM 201 CA VAL A 16 6.694 4.309 -2.301 1.00 0.00 C ATOM 202 C VAL A 16 6.275 3.701 -0.968 1.00 0.00 C ATOM 203 O VAL A 16 6.715 4.156 0.087 1.00 0.00 O ATOM 204 CB VAL A 16 8.038 3.721 -2.749 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.966 2.188 -2.742 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.363 4.209 -4.165 1.00 0.00 C ATOM 0 H VAL A 16 7.665 6.070 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 16 5.946 4.077 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 16 8.818 4.047 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.924 1.777 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.739 1.839 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.184 1.857 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.318 3.791 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.579 3.886 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.423 5.297 -4.170 1.00 0.00 H new ATOM 216 N LEU A 17 5.415 2.691 -1.016 1.00 0.00 N ATOM 217 CA LEU A 17 4.942 2.055 0.206 1.00 0.00 C ATOM 218 C LEU A 17 5.256 0.563 0.196 1.00 0.00 C ATOM 219 O LEU A 17 4.594 -0.223 -0.481 1.00 0.00 O ATOM 220 CB LEU A 17 3.433 2.301 0.354 1.00 0.00 C ATOM 221 CG LEU A 17 2.804 1.308 1.342 1.00 0.00 C ATOM 222 CD1 LEU A 17 3.557 1.341 2.678 1.00 0.00 C ATOM 223 CD2 LEU A 17 1.340 1.695 1.575 1.00 0.00 C ATOM 0 H LEU A 17 5.035 2.299 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 17 5.458 2.491 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.260 3.320 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.949 2.207 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 17 2.864 0.302 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.101 0.633 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.600 1.069 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.505 2.345 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.886 0.995 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.291 2.703 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.800 1.663 0.629 1.00 0.00 H new ATOM 235 N ARG A 18 6.276 0.195 0.967 1.00 0.00 N ATOM 236 CA ARG A 18 6.709 -1.192 1.080 1.00 0.00 C ATOM 237 C ARG A 18 6.036 -1.843 2.280 1.00 0.00 C ATOM 238 O ARG A 18 6.080 -1.304 3.387 1.00 0.00 O ATOM 239 CB ARG A 18 8.230 -1.218 1.251 1.00 0.00 C ATOM 240 CG ARG A 18 8.874 -1.907 0.048 1.00 0.00 C ATOM 241 CD ARG A 18 10.345 -2.206 0.349 1.00 0.00 C ATOM 242 NE ARG A 18 11.111 -2.268 -0.891 1.00 0.00 N ATOM 243 CZ ARG A 18 11.079 -3.348 -1.666 1.00 0.00 C ATOM 244 NH1 ARG A 18 9.996 -3.642 -2.335 1.00 0.00 N ATOM 245 NH2 ARG A 18 12.131 -4.115 -1.758 1.00 0.00 N ATOM 0 H ARG A 18 6.823 0.848 1.528 1.00 0.00 H new ATOM 0 HA ARG A 18 6.432 -1.745 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.612 -0.202 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.493 -1.745 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.344 -2.832 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.796 -1.270 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.755 -1.434 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.429 -3.152 0.885 1.00 0.00 H new ATOM 0 HE ARG A 18 11.681 -1.469 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.174 -3.043 -2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.973 -4.471 -2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.977 -3.886 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.108 -4.944 -2.352 1.00 0.00 H new ATOM 259 N LEU A 19 5.399 -2.992 2.059 1.00 0.00 N ATOM 260 CA LEU A 19 4.711 -3.675 3.151 1.00 0.00 C ATOM 261 C LEU A 19 4.618 -5.183 2.930 1.00 0.00 C ATOM 262 O LEU A 19 5.048 -5.713 1.905 1.00 0.00 O ATOM 263 CB LEU A 19 3.300 -3.093 3.316 1.00 0.00 C ATOM 264 CG LEU A 19 2.390 -3.537 2.159 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.515 -4.716 2.608 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.485 -2.372 1.745 1.00 0.00 C ATOM 0 H LEU A 19 5.345 -3.460 1.155 1.00 0.00 H new ATOM 0 HA LEU A 19 5.297 -3.513 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.875 -3.420 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.352 -2.005 3.348 1.00 0.00 H new ATOM 0 HG LEU A 19 3.009 -3.843 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.872 -5.026 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.152 -5.549 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.899 -4.411 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.840 -2.686 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.872 -2.068 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.099 -1.531 1.422 1.00 0.00 H new ATOM 278 N TYR A 20 4.030 -5.849 3.918 1.00 0.00 N ATOM 279 CA TYR A 20 3.832 -7.290 3.889 1.00 0.00 C ATOM 280 C TYR A 20 2.340 -7.569 3.750 1.00 0.00 C ATOM 281 O TYR A 20 1.597 -7.560 4.733 1.00 0.00 O ATOM 282 CB TYR A 20 4.367 -7.899 5.187 1.00 0.00 C ATOM 283 CG TYR A 20 4.545 -9.392 5.047 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.435 -9.911 4.098 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.831 -10.258 5.883 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.609 -11.295 3.985 1.00 0.00 C ATOM 287 CE2 TYR A 20 4.003 -11.641 5.770 1.00 0.00 C ATOM 288 CZ TYR A 20 4.892 -12.160 4.822 1.00 0.00 C ATOM 289 OH TYR A 20 5.064 -13.524 4.716 1.00 0.00 O ATOM 0 H TYR A 20 3.677 -5.401 4.764 1.00 0.00 H new ATOM 0 HA TYR A 20 4.366 -7.733 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.320 -7.437 5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.678 -7.686 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.987 -9.243 3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.146 -9.858 6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.295 -11.696 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.450 -12.309 6.414 1.00 0.00 H new ATOM 0 HH TYR A 20 4.493 -13.978 5.370 1.00 0.00 H new ATOM 299 N ILE A 21 1.909 -7.782 2.513 1.00 0.00 N ATOM 300 CA ILE A 21 0.502 -8.025 2.228 1.00 0.00 C ATOM 301 C ILE A 21 0.094 -9.421 2.703 1.00 0.00 C ATOM 302 O ILE A 21 0.735 -10.417 2.366 1.00 0.00 O ATOM 303 CB ILE A 21 0.261 -7.832 0.713 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.649 -6.617 0.482 1.00 0.00 C ATOM 305 CG2 ILE A 21 -0.385 -9.065 0.079 1.00 0.00 C ATOM 306 CD1 ILE A 21 -2.089 -6.947 0.887 1.00 0.00 C ATOM 0 H ILE A 21 2.514 -7.791 1.692 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.121 -7.314 2.771 1.00 0.00 H new ATOM 0 HB ILE A 21 1.232 -7.674 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.287 -5.767 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.617 -6.324 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.538 -8.889 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.267 -9.928 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.346 -9.258 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.723 -6.077 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.453 -7.783 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.117 -7.217 1.943 1.00 0.00 H new ATOM 318 N GLN A 22 -0.972 -9.470 3.502 1.00 0.00 N ATOM 319 CA GLN A 22 -1.475 -10.730 4.048 1.00 0.00 C ATOM 320 C GLN A 22 -2.915 -10.962 3.589 1.00 0.00 C ATOM 321 O GLN A 22 -3.863 -10.529 4.243 1.00 0.00 O ATOM 322 CB GLN A 22 -1.424 -10.687 5.583 1.00 0.00 C ATOM 323 CG GLN A 22 -0.361 -11.657 6.101 1.00 0.00 C ATOM 324 CD GLN A 22 -0.732 -13.089 5.732 1.00 0.00 C ATOM 325 OE1 GLN A 22 -1.828 -13.548 6.053 1.00 0.00 O ATOM 326 NE2 GLN A 22 0.119 -13.824 5.072 1.00 0.00 N ATOM 0 H GLN A 22 -1.505 -8.648 3.786 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.850 -11.547 3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.198 -9.675 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.399 -10.950 5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.611 -11.404 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.270 -11.564 7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.026 -13.441 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.123 -14.782 4.820 1.00 0.00 H new ATOM 335 N PRO A 23 -3.091 -11.624 2.474 1.00 0.00 N ATOM 336 CA PRO A 23 -4.440 -11.905 1.911 1.00 0.00 C ATOM 337 C PRO A 23 -5.180 -13.006 2.669 1.00 0.00 C ATOM 338 O PRO A 23 -4.560 -13.902 3.240 1.00 0.00 O ATOM 339 CB PRO A 23 -4.168 -12.330 0.457 1.00 0.00 C ATOM 340 CG PRO A 23 -2.683 -12.272 0.250 1.00 0.00 C ATOM 341 CD PRO A 23 -2.033 -12.180 1.628 1.00 0.00 C ATOM 0 HA PRO A 23 -5.087 -11.031 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.543 -13.337 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.680 -11.667 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.335 -13.158 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.414 -11.409 -0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.708 -13.158 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.153 -11.537 1.613 1.00 0.00 H new ATOM 349 N LYS A 24 -6.514 -12.920 2.648 1.00 0.00 N ATOM 350 CA LYS A 24 -7.382 -13.901 3.305 1.00 0.00 C ATOM 351 C LYS A 24 -7.487 -13.655 4.809 1.00 0.00 C ATOM 352 O LYS A 24 -7.461 -14.599 5.599 1.00 0.00 O ATOM 353 CB LYS A 24 -6.886 -15.332 3.048 1.00 0.00 C ATOM 354 CG LYS A 24 -6.716 -15.561 1.542 1.00 0.00 C ATOM 355 CD LYS A 24 -6.171 -16.970 1.291 1.00 0.00 C ATOM 356 CE LYS A 24 -4.797 -17.119 1.957 1.00 0.00 C ATOM 357 NZ LYS A 24 -4.963 -17.696 3.321 1.00 0.00 N ATOM 0 H LYS A 24 -7.021 -12.171 2.177 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.375 -13.782 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.937 -15.495 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.596 -16.051 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.673 -15.435 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.035 -14.818 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.861 -17.714 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.088 -17.153 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.157 -17.763 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.304 -16.149 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.512 -17.071 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.976 -17.786 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.517 -18.635 3.358 1.00 0.00 H new ATOM 371 N ALA A 25 -7.646 -12.390 5.204 1.00 0.00 N ATOM 372 CA ALA A 25 -7.799 -12.061 6.601 1.00 0.00 C ATOM 373 C ALA A 25 -9.271 -11.806 6.867 1.00 0.00 C ATOM 374 O ALA A 25 -10.064 -11.703 5.929 1.00 0.00 O ATOM 375 CB ALA A 25 -6.977 -10.819 6.933 1.00 0.00 C ATOM 0 H ALA A 25 -7.671 -11.590 4.572 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.445 -12.881 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.096 -10.575 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.925 -11.012 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.322 -9.982 6.326 1.00 0.00 H new ATOM 381 N SER A 26 -9.642 -11.700 8.128 1.00 0.00 N ATOM 382 CA SER A 26 -11.037 -11.453 8.464 1.00 0.00 C ATOM 383 C SER A 26 -11.476 -10.099 7.915 1.00 0.00 C ATOM 384 O SER A 26 -12.671 -9.837 7.766 1.00 0.00 O ATOM 385 CB SER A 26 -11.222 -11.485 9.982 1.00 0.00 C ATOM 386 OG SER A 26 -10.134 -10.813 10.603 1.00 0.00 O ATOM 0 H SER A 26 -9.012 -11.779 8.927 1.00 0.00 H new ATOM 0 HA SER A 26 -11.652 -12.233 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.163 -11.007 10.255 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.275 -12.516 10.332 1.00 0.00 H new ATOM 0 HG SER A 26 -10.251 -10.831 11.576 1.00 0.00 H new ATOM 392 N ARG A 27 -10.500 -9.243 7.614 1.00 0.00 N ATOM 393 CA ARG A 27 -10.791 -7.912 7.078 1.00 0.00 C ATOM 394 C ARG A 27 -9.494 -7.184 6.748 1.00 0.00 C ATOM 395 O ARG A 27 -8.438 -7.556 7.250 1.00 0.00 O ATOM 396 CB ARG A 27 -11.594 -7.093 8.097 1.00 0.00 C ATOM 397 CG ARG A 27 -10.946 -7.212 9.483 1.00 0.00 C ATOM 398 CD ARG A 27 -11.817 -6.504 10.528 1.00 0.00 C ATOM 399 NE ARG A 27 -12.416 -5.298 9.964 1.00 0.00 N ATOM 400 CZ ARG A 27 -12.266 -4.113 10.549 1.00 0.00 C ATOM 401 NH1 ARG A 27 -11.119 -3.493 10.487 1.00 0.00 N ATOM 402 NH2 ARG A 27 -13.268 -3.568 11.185 1.00 0.00 N ATOM 0 H ARG A 27 -9.507 -9.445 7.731 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.380 -8.027 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.630 -6.048 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.623 -7.450 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.825 -8.262 9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.950 -6.770 9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.600 -7.178 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.213 -6.244 11.397 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.960 -5.366 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.336 -3.917 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.006 -2.584 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.165 -4.051 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.154 -2.659 11.634 1.00 0.00 H new ATOM 416 N ASP A 28 -9.582 -6.121 5.942 1.00 0.00 N ATOM 417 CA ASP A 28 -8.400 -5.331 5.597 1.00 0.00 C ATOM 418 C ASP A 28 -8.088 -4.363 6.730 1.00 0.00 C ATOM 419 O ASP A 28 -8.629 -3.260 6.798 1.00 0.00 O ATOM 420 CB ASP A 28 -8.616 -4.533 4.311 1.00 0.00 C ATOM 421 CG ASP A 28 -9.626 -5.224 3.394 1.00 0.00 C ATOM 422 OD1 ASP A 28 -9.588 -6.440 3.306 1.00 0.00 O ATOM 423 OD2 ASP A 28 -10.417 -4.523 2.785 1.00 0.00 O ATOM 0 H ASP A 28 -10.451 -5.792 5.521 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.570 -6.020 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.970 -3.532 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.667 -4.417 3.788 1.00 0.00 H new ATOM 428 N SER A 29 -7.227 -4.803 7.625 1.00 0.00 N ATOM 429 CA SER A 29 -6.847 -3.995 8.780 1.00 0.00 C ATOM 430 C SER A 29 -5.329 -3.924 8.948 1.00 0.00 C ATOM 431 O SER A 29 -4.633 -4.936 8.852 1.00 0.00 O ATOM 432 CB SER A 29 -7.471 -4.589 10.044 1.00 0.00 C ATOM 433 OG SER A 29 -8.211 -3.582 10.721 1.00 0.00 O ATOM 0 H SER A 29 -6.774 -5.716 7.580 1.00 0.00 H new ATOM 0 HA SER A 29 -7.214 -2.982 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.123 -5.423 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.692 -4.985 10.696 1.00 0.00 H new ATOM 0 HG SER A 29 -8.613 -3.960 11.531 1.00 0.00 H new ATOM 439 N ILE A 30 -4.829 -2.717 9.224 1.00 0.00 N ATOM 440 CA ILE A 30 -3.396 -2.513 9.436 1.00 0.00 C ATOM 441 C ILE A 30 -3.072 -2.679 10.922 1.00 0.00 C ATOM 442 O ILE A 30 -2.703 -1.727 11.614 1.00 0.00 O ATOM 443 CB ILE A 30 -2.967 -1.121 8.937 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.191 -0.201 8.807 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.292 -1.262 7.571 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.760 1.145 8.216 1.00 0.00 C ATOM 0 H ILE A 30 -5.393 -1.871 9.305 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.841 -3.258 8.866 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.271 -0.685 9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.942 -0.666 8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.651 -0.050 9.784 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.986 -0.279 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.416 -1.904 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.993 -1.704 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.629 1.797 8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.024 1.611 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.320 0.986 7.232 1.00 0.00 H new ATOM 458 N VAL A 31 -3.246 -3.909 11.396 1.00 0.00 N ATOM 459 CA VAL A 31 -3.015 -4.262 12.795 1.00 0.00 C ATOM 460 C VAL A 31 -1.635 -4.898 12.991 1.00 0.00 C ATOM 461 O VAL A 31 -1.396 -5.578 13.990 1.00 0.00 O ATOM 462 CB VAL A 31 -4.114 -5.230 13.263 1.00 0.00 C ATOM 463 CG1 VAL A 31 -3.959 -5.527 14.759 1.00 0.00 C ATOM 464 CG2 VAL A 31 -5.486 -4.595 13.013 1.00 0.00 C ATOM 0 H VAL A 31 -3.552 -4.693 10.819 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.047 -3.350 13.391 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.027 -6.163 12.706 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.744 -6.214 15.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.985 -5.980 14.941 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.038 -4.599 15.324 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.269 -5.278 13.343 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.561 -3.661 13.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.605 -4.394 11.948 1.00 0.00 H new ATOM 474 N GLY A 32 -0.732 -4.696 12.032 1.00 0.00 N ATOM 475 CA GLY A 32 0.598 -5.285 12.126 1.00 0.00 C ATOM 476 C GLY A 32 1.635 -4.337 11.564 1.00 0.00 C ATOM 477 O GLY A 32 2.655 -4.753 11.019 1.00 0.00 O ATOM 0 H GLY A 32 -0.895 -4.137 11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.829 -5.512 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.624 -6.228 11.580 1.00 0.00 H new ATOM 481 N LEU A 33 1.360 -3.055 11.725 1.00 0.00 N ATOM 482 CA LEU A 33 2.257 -2.019 11.256 1.00 0.00 C ATOM 483 C LEU A 33 3.510 -1.978 12.123 1.00 0.00 C ATOM 484 O LEU A 33 3.426 -1.818 13.342 1.00 0.00 O ATOM 485 CB LEU A 33 1.525 -0.681 11.305 1.00 0.00 C ATOM 486 CG LEU A 33 0.378 -0.691 10.290 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.138 0.736 10.090 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.880 -1.248 8.952 1.00 0.00 C ATOM 0 H LEU A 33 0.516 -2.707 12.180 1.00 0.00 H new ATOM 0 HA LEU A 33 2.564 -2.228 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.136 -0.503 12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.216 0.132 11.082 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.430 -1.321 10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.954 0.730 9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.498 1.129 11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.670 1.366 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.063 -1.254 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.689 -0.621 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.245 -2.265 9.095 1.00 0.00 H new ATOM 500 N HIS A 34 4.669 -2.146 11.487 1.00 0.00 N ATOM 501 CA HIS A 34 5.937 -2.152 12.210 1.00 0.00 C ATOM 502 C HIS A 34 6.761 -0.897 11.899 1.00 0.00 C ATOM 503 O HIS A 34 6.570 -0.253 10.869 1.00 0.00 O ATOM 504 CB HIS A 34 6.716 -3.424 11.839 1.00 0.00 C ATOM 505 CG HIS A 34 7.739 -3.740 12.901 1.00 0.00 C ATOM 506 ND1 HIS A 34 8.975 -3.113 12.963 1.00 0.00 N ATOM 507 CD2 HIS A 34 7.718 -4.622 13.952 1.00 0.00 C ATOM 508 CE1 HIS A 34 9.638 -3.620 14.017 1.00 0.00 C ATOM 509 NE2 HIS A 34 8.918 -4.545 14.656 1.00 0.00 N ATOM 0 H HIS A 34 4.755 -2.279 10.479 1.00 0.00 H new ATOM 0 HA HIS A 34 5.737 -2.146 13.281 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.027 -4.261 11.728 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.210 -3.288 10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.895 -5.277 14.197 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.632 -3.316 14.311 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.188 -5.080 15.481 1.00 0.00 H new ATOM 517 N GLY A 35 7.671 -0.545 12.804 1.00 0.00 N ATOM 518 CA GLY A 35 8.508 0.640 12.614 1.00 0.00 C ATOM 519 C GLY A 35 9.445 0.464 11.422 1.00 0.00 C ATOM 520 O GLY A 35 9.914 1.441 10.836 1.00 0.00 O ATOM 0 H GLY A 35 7.848 -1.057 13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.876 1.514 12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.092 0.825 13.516 1.00 0.00 H new ATOM 524 N ASP A 36 9.702 -0.792 11.069 1.00 0.00 N ATOM 525 CA ASP A 36 10.573 -1.113 9.945 1.00 0.00 C ATOM 526 C ASP A 36 9.815 -1.945 8.916 1.00 0.00 C ATOM 527 O ASP A 36 10.377 -2.341 7.897 1.00 0.00 O ATOM 528 CB ASP A 36 11.801 -1.902 10.420 1.00 0.00 C ATOM 529 CG ASP A 36 12.545 -1.159 11.535 1.00 0.00 C ATOM 530 OD1 ASP A 36 12.293 0.022 11.720 1.00 0.00 O ATOM 531 OD2 ASP A 36 13.366 -1.786 12.186 1.00 0.00 O ATOM 0 H ASP A 36 9.317 -1.606 11.548 1.00 0.00 H new ATOM 0 HA ASP A 36 10.901 -0.177 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.489 -2.883 10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.475 -2.070 9.580 1.00 0.00 H new ATOM 536 N GLU A 37 8.541 -2.220 9.191 1.00 0.00 N ATOM 537 CA GLU A 37 7.727 -3.015 8.275 1.00 0.00 C ATOM 538 C GLU A 37 6.267 -2.571 8.344 1.00 0.00 C ATOM 539 O GLU A 37 5.902 -1.721 9.147 1.00 0.00 O ATOM 540 CB GLU A 37 7.812 -4.515 8.618 1.00 0.00 C ATOM 541 CG GLU A 37 9.178 -4.868 9.239 1.00 0.00 C ATOM 542 CD GLU A 37 10.263 -4.992 8.162 1.00 0.00 C ATOM 543 OE1 GLU A 37 9.926 -5.003 6.988 1.00 0.00 O ATOM 544 OE2 GLU A 37 11.423 -5.079 8.534 1.00 0.00 O ATOM 0 H GLU A 37 8.055 -1.908 10.032 1.00 0.00 H new ATOM 0 HA GLU A 37 8.113 -2.859 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.015 -4.778 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.656 -5.107 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.462 -4.100 9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.099 -5.806 9.789 1.00 0.00 H new ATOM 551 N VAL A 38 5.436 -3.166 7.504 1.00 0.00 N ATOM 552 CA VAL A 38 4.013 -2.847 7.483 1.00 0.00 C ATOM 553 C VAL A 38 3.241 -4.122 7.227 1.00 0.00 C ATOM 554 O VAL A 38 3.286 -4.664 6.127 1.00 0.00 O ATOM 555 CB VAL A 38 3.706 -1.818 6.387 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.192 -1.766 6.115 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.188 -0.438 6.836 1.00 0.00 C ATOM 0 H VAL A 38 5.720 -3.873 6.826 1.00 0.00 H new ATOM 0 HA VAL A 38 3.721 -2.416 8.441 1.00 0.00 H new ATOM 0 HB VAL A 38 4.222 -2.110 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.987 -1.032 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.847 -2.747 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.668 -1.482 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.971 0.294 6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.675 -0.155 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.263 -0.469 7.015 1.00 0.00 H new ATOM 567 N LYS A 39 2.553 -4.620 8.241 1.00 0.00 N ATOM 568 CA LYS A 39 1.813 -5.850 8.072 1.00 0.00 C ATOM 569 C LYS A 39 0.315 -5.598 8.079 1.00 0.00 C ATOM 570 O LYS A 39 -0.282 -5.307 9.116 1.00 0.00 O ATOM 571 CB LYS A 39 2.214 -6.845 9.160 1.00 0.00 C ATOM 572 CG LYS A 39 2.453 -8.206 8.500 1.00 0.00 C ATOM 573 CD LYS A 39 2.174 -9.341 9.489 1.00 0.00 C ATOM 574 CE LYS A 39 0.688 -9.348 9.863 1.00 0.00 C ATOM 575 NZ LYS A 39 0.188 -10.751 9.881 1.00 0.00 N ATOM 0 H LYS A 39 2.494 -4.200 9.169 1.00 0.00 H new ATOM 0 HA LYS A 39 2.060 -6.276 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.116 -6.507 9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.430 -6.920 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.809 -8.311 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.482 -8.269 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.452 -10.298 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.783 -9.214 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.546 -8.887 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.119 -8.757 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.845 -10.753 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.627 -11.286 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.432 -11.195 10.789 1.00 0.00 H new ATOM 589 N VAL A 40 -0.282 -5.720 6.896 1.00 0.00 N ATOM 590 CA VAL A 40 -1.712 -5.519 6.733 1.00 0.00 C ATOM 591 C VAL A 40 -2.356 -6.808 6.252 1.00 0.00 C ATOM 592 O VAL A 40 -1.886 -7.425 5.294 1.00 0.00 O ATOM 593 CB VAL A 40 -1.980 -4.399 5.711 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.661 -4.886 4.293 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.454 -3.983 5.785 1.00 0.00 C ATOM 0 H VAL A 40 0.209 -5.958 6.034 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.139 -5.232 7.694 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.342 -3.547 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.855 -4.084 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.612 -5.177 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.289 -5.744 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.645 -3.190 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.086 -4.841 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.680 -3.621 6.788 1.00 0.00 H new ATOM 605 N ALA A 41 -3.436 -7.206 6.905 1.00 0.00 N ATOM 606 CA ALA A 41 -4.135 -8.416 6.508 1.00 0.00 C ATOM 607 C ALA A 41 -5.351 -8.035 5.689 1.00 0.00 C ATOM 608 O ALA A 41 -6.323 -7.523 6.228 1.00 0.00 O ATOM 609 CB ALA A 41 -4.575 -9.219 7.736 1.00 0.00 C ATOM 0 H ALA A 41 -3.843 -6.716 7.702 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.461 -9.036 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.096 -10.120 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.699 -9.496 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.243 -8.612 8.347 1.00 0.00 H new ATOM 615 N ILE A 42 -5.293 -8.283 4.387 1.00 0.00 N ATOM 616 CA ILE A 42 -6.409 -7.952 3.514 1.00 0.00 C ATOM 617 C ILE A 42 -7.258 -9.198 3.288 1.00 0.00 C ATOM 618 O ILE A 42 -6.763 -10.320 3.381 1.00 0.00 O ATOM 619 CB ILE A 42 -5.883 -7.391 2.182 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.037 -6.748 1.404 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.260 -8.511 1.343 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.480 -5.908 0.252 1.00 0.00 C ATOM 0 H ILE A 42 -4.494 -8.708 3.917 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.030 -7.187 3.980 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.120 -6.641 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.701 -7.520 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.632 -6.122 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.892 -8.100 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.432 -8.959 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.012 -9.272 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.304 -5.453 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.834 -5.126 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.905 -6.546 -0.419 1.00 0.00 H new ATOM 634 N THR A 43 -8.544 -8.995 3.028 1.00 0.00 N ATOM 635 CA THR A 43 -9.461 -10.114 2.827 1.00 0.00 C ATOM 636 C THR A 43 -9.583 -10.477 1.349 1.00 0.00 C ATOM 637 O THR A 43 -10.560 -11.100 0.932 1.00 0.00 O ATOM 638 CB THR A 43 -10.842 -9.768 3.406 1.00 0.00 C ATOM 639 OG1 THR A 43 -11.613 -10.955 3.524 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.566 -8.776 2.491 1.00 0.00 C ATOM 0 H THR A 43 -8.975 -8.074 2.951 1.00 0.00 H new ATOM 0 HA THR A 43 -9.057 -10.981 3.349 1.00 0.00 H new ATOM 0 HB THR A 43 -10.713 -9.313 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.557 -11.466 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.543 -8.539 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.977 -7.863 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.694 -9.219 1.503 1.00 0.00 H new ATOM 648 N ALA A 44 -8.582 -10.088 0.562 1.00 0.00 N ATOM 649 CA ALA A 44 -8.585 -10.380 -0.868 1.00 0.00 C ATOM 650 C ALA A 44 -8.020 -11.774 -1.139 1.00 0.00 C ATOM 651 O ALA A 44 -7.321 -12.344 -0.299 1.00 0.00 O ATOM 652 CB ALA A 44 -7.750 -9.340 -1.624 1.00 0.00 C ATOM 0 H ALA A 44 -7.764 -9.573 0.888 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.617 -10.342 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.761 -9.570 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.171 -8.348 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.723 -9.362 -1.258 1.00 0.00 H new ATOM 658 N PRO A 45 -8.306 -12.323 -2.295 1.00 0.00 N ATOM 659 CA PRO A 45 -7.820 -13.671 -2.702 1.00 0.00 C ATOM 660 C PRO A 45 -6.348 -13.652 -3.121 1.00 0.00 C ATOM 661 O PRO A 45 -5.742 -12.587 -3.245 1.00 0.00 O ATOM 662 CB PRO A 45 -8.722 -14.061 -3.887 1.00 0.00 C ATOM 663 CG PRO A 45 -9.686 -12.934 -4.086 1.00 0.00 C ATOM 664 CD PRO A 45 -9.124 -11.722 -3.349 1.00 0.00 C ATOM 0 HA PRO A 45 -7.873 -14.382 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.129 -14.226 -4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.252 -14.991 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.809 -12.716 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.670 -13.197 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.530 -11.089 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.917 -11.098 -2.937 1.00 0.00 H new ATOM 672 N PRO A 46 -5.770 -14.810 -3.336 1.00 0.00 N ATOM 673 CA PRO A 46 -4.342 -14.948 -3.745 1.00 0.00 C ATOM 674 C PRO A 46 -4.109 -14.583 -5.213 1.00 0.00 C ATOM 675 O PRO A 46 -3.014 -14.782 -5.742 1.00 0.00 O ATOM 676 CB PRO A 46 -4.010 -16.430 -3.486 1.00 0.00 C ATOM 677 CG PRO A 46 -5.254 -17.068 -2.939 1.00 0.00 C ATOM 678 CD PRO A 46 -6.417 -16.119 -3.217 1.00 0.00 C ATOM 0 HA PRO A 46 -3.704 -14.265 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.697 -16.922 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.186 -16.523 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.428 -18.035 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.154 -17.248 -1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.946 -16.390 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.148 -16.133 -2.409 1.00 0.00 H new ATOM 686 N VAL A 47 -5.138 -14.041 -5.862 1.00 0.00 N ATOM 687 CA VAL A 47 -5.026 -13.644 -7.264 1.00 0.00 C ATOM 688 C VAL A 47 -4.830 -12.133 -7.367 1.00 0.00 C ATOM 689 O VAL A 47 -5.404 -11.368 -6.591 1.00 0.00 O ATOM 690 CB VAL A 47 -6.276 -14.074 -8.045 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.509 -13.332 -7.520 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.084 -13.759 -9.534 1.00 0.00 C ATOM 0 H VAL A 47 -6.052 -13.868 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.159 -14.141 -7.700 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.425 -15.146 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.389 -13.645 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.651 -13.564 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.366 -12.258 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.972 -14.064 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.927 -12.688 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.217 -14.300 -9.912 1.00 0.00 H new ATOM 702 N ASP A 48 -4.003 -11.713 -8.321 1.00 0.00 N ATOM 703 CA ASP A 48 -3.719 -10.291 -8.512 1.00 0.00 C ATOM 704 C ASP A 48 -4.980 -9.521 -8.888 1.00 0.00 C ATOM 705 O ASP A 48 -5.240 -8.449 -8.352 1.00 0.00 O ATOM 706 CB ASP A 48 -2.666 -10.093 -9.611 1.00 0.00 C ATOM 707 CG ASP A 48 -1.733 -11.303 -9.691 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.292 -11.762 -8.649 1.00 0.00 O ATOM 709 OD2 ASP A 48 -1.473 -11.753 -10.794 1.00 0.00 O ATOM 0 H ASP A 48 -3.519 -12.332 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.338 -9.906 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.159 -9.944 -10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.086 -9.193 -9.408 1.00 0.00 H new ATOM 714 N GLY A 49 -5.752 -10.065 -9.820 1.00 0.00 N ATOM 715 CA GLY A 49 -6.977 -9.409 -10.268 1.00 0.00 C ATOM 716 C GLY A 49 -7.804 -8.882 -9.095 1.00 0.00 C ATOM 717 O GLY A 49 -8.158 -7.704 -9.053 1.00 0.00 O ATOM 0 H GLY A 49 -5.555 -10.954 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.724 -8.584 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.575 -10.113 -10.846 1.00 0.00 H new ATOM 721 N GLN A 50 -8.116 -9.765 -8.153 1.00 0.00 N ATOM 722 CA GLN A 50 -8.919 -9.386 -6.992 1.00 0.00 C ATOM 723 C GLN A 50 -8.078 -8.684 -5.922 1.00 0.00 C ATOM 724 O GLN A 50 -8.548 -7.744 -5.282 1.00 0.00 O ATOM 725 CB GLN A 50 -9.579 -10.632 -6.398 1.00 0.00 C ATOM 726 CG GLN A 50 -10.711 -11.099 -7.321 1.00 0.00 C ATOM 727 CD GLN A 50 -11.694 -11.978 -6.549 1.00 0.00 C ATOM 728 OE1 GLN A 50 -11.983 -13.101 -6.965 1.00 0.00 O ATOM 729 NE2 GLN A 50 -12.226 -11.533 -5.443 1.00 0.00 N ATOM 0 H GLN A 50 -7.828 -10.743 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.682 -8.683 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.841 -11.426 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.972 -10.411 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.232 -10.236 -7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.298 -11.655 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.986 -10.603 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.882 -12.115 -4.922 1.00 0.00 H new ATOM 738 N ALA A 51 -6.841 -9.143 -5.725 1.00 0.00 N ATOM 739 CA ALA A 51 -5.966 -8.537 -4.719 1.00 0.00 C ATOM 740 C ALA A 51 -5.565 -7.124 -5.134 1.00 0.00 C ATOM 741 O ALA A 51 -5.858 -6.153 -4.435 1.00 0.00 O ATOM 742 CB ALA A 51 -4.712 -9.394 -4.528 1.00 0.00 C ATOM 0 H ALA A 51 -6.427 -9.920 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.513 -8.483 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.068 -8.935 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.000 -10.392 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.174 -9.467 -5.473 1.00 0.00 H new ATOM 748 N ASN A 52 -4.901 -7.023 -6.283 1.00 0.00 N ATOM 749 CA ASN A 52 -4.464 -5.735 -6.812 1.00 0.00 C ATOM 750 C ASN A 52 -5.626 -4.741 -6.830 1.00 0.00 C ATOM 751 O ASN A 52 -5.452 -3.568 -6.494 1.00 0.00 O ATOM 752 CB ASN A 52 -3.913 -5.929 -8.233 1.00 0.00 C ATOM 753 CG ASN A 52 -3.232 -4.655 -8.727 1.00 0.00 C ATOM 754 OD1 ASN A 52 -3.760 -3.556 -8.561 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.082 -4.742 -9.339 1.00 0.00 N ATOM 0 H ASN A 52 -4.653 -7.822 -6.867 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.680 -5.334 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.202 -6.755 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.724 -6.199 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.621 -3.899 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.645 -5.653 -9.476 1.00 0.00 H new ATOM 762 N SER A 53 -6.812 -5.220 -7.216 1.00 0.00 N ATOM 763 CA SER A 53 -7.997 -4.363 -7.262 1.00 0.00 C ATOM 764 C SER A 53 -8.205 -3.653 -5.925 1.00 0.00 C ATOM 765 O SER A 53 -8.377 -2.434 -5.878 1.00 0.00 O ATOM 766 CB SER A 53 -9.238 -5.200 -7.586 1.00 0.00 C ATOM 767 OG SER A 53 -10.403 -4.408 -7.393 1.00 0.00 O ATOM 0 H SER A 53 -6.975 -6.186 -7.498 1.00 0.00 H new ATOM 0 HA SER A 53 -7.844 -3.615 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.192 -5.555 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.273 -6.081 -6.946 1.00 0.00 H new ATOM 0 HG SER A 53 -11.199 -4.941 -7.601 1.00 0.00 H new ATOM 773 N HIS A 54 -8.193 -4.427 -4.842 1.00 0.00 N ATOM 774 CA HIS A 54 -8.388 -3.870 -3.504 1.00 0.00 C ATOM 775 C HIS A 54 -7.390 -2.754 -3.230 1.00 0.00 C ATOM 776 O HIS A 54 -7.781 -1.648 -2.879 1.00 0.00 O ATOM 777 CB HIS A 54 -8.215 -4.959 -2.448 1.00 0.00 C ATOM 778 CG HIS A 54 -9.519 -5.670 -2.216 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.559 -5.634 -3.130 1.00 0.00 N ATOM 780 CD2 HIS A 54 -9.964 -6.442 -1.171 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.570 -6.362 -2.624 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.260 -6.878 -1.430 1.00 0.00 N ATOM 0 H HIS A 54 -8.051 -5.437 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.399 -3.466 -3.456 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.456 -5.672 -2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.862 -4.519 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.395 -6.675 -0.283 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.517 -6.512 -3.121 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.847 -7.465 -0.837 1.00 0.00 H new ATOM 790 N LEU A 55 -6.101 -3.049 -3.378 1.00 0.00 N ATOM 791 CA LEU A 55 -5.073 -2.041 -3.131 1.00 0.00 C ATOM 792 C LEU A 55 -5.419 -0.755 -3.872 1.00 0.00 C ATOM 793 O LEU A 55 -5.449 0.322 -3.284 1.00 0.00 O ATOM 794 CB LEU A 55 -3.705 -2.555 -3.589 1.00 0.00 C ATOM 795 CG LEU A 55 -2.947 -3.174 -2.406 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.779 -2.143 -1.282 1.00 0.00 C ATOM 797 CD2 LEU A 55 -3.714 -4.391 -1.876 1.00 0.00 C ATOM 0 H LEU A 55 -5.747 -3.962 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.031 -1.837 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.833 -3.297 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.124 -1.736 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.961 -3.487 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.240 -2.596 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.217 -1.287 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.760 -1.813 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.171 -4.826 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.705 -4.081 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.812 -5.133 -2.669 1.00 0.00 H new ATOM 809 N VAL A 56 -5.698 -0.886 -5.165 1.00 0.00 N ATOM 810 CA VAL A 56 -6.062 0.265 -5.983 1.00 0.00 C ATOM 811 C VAL A 56 -7.272 0.976 -5.372 1.00 0.00 C ATOM 812 O VAL A 56 -7.457 2.178 -5.557 1.00 0.00 O ATOM 813 CB VAL A 56 -6.367 -0.202 -7.419 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.820 0.121 -7.803 1.00 0.00 C ATOM 815 CG2 VAL A 56 -5.417 0.499 -8.397 1.00 0.00 C ATOM 0 H VAL A 56 -5.679 -1.774 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.232 0.971 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.225 -1.282 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.011 -0.218 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.499 -0.387 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.982 1.197 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.632 0.169 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.556 1.578 -8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.386 0.249 -8.145 1.00 0.00 H new ATOM 825 N LYS A 57 -8.085 0.215 -4.639 1.00 0.00 N ATOM 826 CA LYS A 57 -9.274 0.759 -3.990 1.00 0.00 C ATOM 827 C LYS A 57 -8.905 1.382 -2.645 1.00 0.00 C ATOM 828 O LYS A 57 -9.022 2.589 -2.461 1.00 0.00 O ATOM 829 CB LYS A 57 -10.297 -0.361 -3.778 1.00 0.00 C ATOM 830 CG LYS A 57 -11.664 0.240 -3.456 1.00 0.00 C ATOM 831 CD LYS A 57 -12.690 -0.879 -3.254 1.00 0.00 C ATOM 832 CE LYS A 57 -12.361 -1.656 -1.976 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.481 -2.811 -2.309 1.00 0.00 N ATOM 0 H LYS A 57 -7.940 -0.782 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.705 1.531 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.363 -0.979 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.975 -1.011 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.599 0.853 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.983 0.896 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.693 -0.458 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.683 -1.551 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.865 -1.003 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.279 -2.008 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.921 -3.691 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.349 -2.861 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.557 -2.688 -1.848 1.00 0.00 H new ATOM 847 N PHE A 58 -8.448 0.547 -1.715 1.00 0.00 N ATOM 848 CA PHE A 58 -8.048 1.014 -0.392 1.00 0.00 C ATOM 849 C PHE A 58 -7.062 2.174 -0.520 1.00 0.00 C ATOM 850 O PHE A 58 -7.280 3.253 0.027 1.00 0.00 O ATOM 851 CB PHE A 58 -7.394 -0.143 0.372 1.00 0.00 C ATOM 852 CG PHE A 58 -7.573 0.039 1.863 1.00 0.00 C ATOM 853 CD1 PHE A 58 -8.805 -0.249 2.464 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.499 0.481 2.646 1.00 0.00 C ATOM 855 CE1 PHE A 58 -8.961 -0.097 3.847 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.657 0.636 4.028 1.00 0.00 C ATOM 857 CZ PHE A 58 -7.887 0.347 4.630 1.00 0.00 C ATOM 0 H PHE A 58 -8.346 -0.458 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.927 1.362 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.836 -1.089 0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.332 -0.192 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.634 -0.588 1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.549 0.702 2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.910 -0.322 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.829 0.979 4.631 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.008 0.466 5.697 1.00 0.00 H new ATOM 867 N LEU A 59 -5.981 1.938 -1.257 1.00 0.00 N ATOM 868 CA LEU A 59 -4.961 2.960 -1.469 1.00 0.00 C ATOM 869 C LEU A 59 -5.531 4.134 -2.266 1.00 0.00 C ATOM 870 O LEU A 59 -5.429 5.284 -1.845 1.00 0.00 O ATOM 871 CB LEU A 59 -3.771 2.345 -2.226 1.00 0.00 C ATOM 872 CG LEU A 59 -2.435 2.874 -1.686 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.274 4.351 -2.046 1.00 0.00 C ATOM 874 CD2 LEU A 59 -2.380 2.700 -0.163 1.00 0.00 C ATOM 0 H LEU A 59 -5.789 1.048 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.628 3.331 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.799 1.259 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.854 2.576 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.621 2.307 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.323 4.718 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.293 4.466 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.090 4.924 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.429 3.078 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.198 3.255 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.474 1.643 0.086 1.00 0.00 H new ATOM 886 N GLY A 60 -6.125 3.833 -3.419 1.00 0.00 N ATOM 887 CA GLY A 60 -6.698 4.870 -4.278 1.00 0.00 C ATOM 888 C GLY A 60 -7.689 5.759 -3.526 1.00 0.00 C ATOM 889 O GLY A 60 -7.686 6.977 -3.697 1.00 0.00 O ATOM 0 H GLY A 60 -6.223 2.884 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.896 5.486 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.202 4.402 -5.124 1.00 0.00 H new ATOM 893 N LYS A 61 -8.539 5.146 -2.710 1.00 0.00 N ATOM 894 CA LYS A 61 -9.540 5.898 -1.951 1.00 0.00 C ATOM 895 C LYS A 61 -8.893 6.658 -0.792 1.00 0.00 C ATOM 896 O LYS A 61 -9.208 7.823 -0.554 1.00 0.00 O ATOM 897 CB LYS A 61 -10.609 4.941 -1.405 1.00 0.00 C ATOM 898 CG LYS A 61 -12.005 5.528 -1.638 1.00 0.00 C ATOM 899 CD LYS A 61 -13.073 4.518 -1.201 1.00 0.00 C ATOM 900 CE LYS A 61 -12.860 4.137 0.267 1.00 0.00 C ATOM 901 NZ LYS A 61 -14.165 3.761 0.881 1.00 0.00 N ATOM 0 H LYS A 61 -8.558 4.138 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.003 6.621 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.526 3.972 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.449 4.773 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.118 6.456 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.134 5.775 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.067 4.946 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.022 3.628 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.160 3.305 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.419 4.973 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.018 3.503 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.820 4.567 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.569 2.951 0.369 1.00 0.00 H new ATOM 915 N GLN A 62 -7.995 5.990 -0.072 1.00 0.00 N ATOM 916 CA GLN A 62 -7.320 6.615 1.064 1.00 0.00 C ATOM 917 C GLN A 62 -6.429 7.767 0.607 1.00 0.00 C ATOM 918 O GLN A 62 -6.409 8.831 1.228 1.00 0.00 O ATOM 919 CB GLN A 62 -6.472 5.577 1.804 1.00 0.00 C ATOM 920 CG GLN A 62 -7.384 4.521 2.437 1.00 0.00 C ATOM 921 CD GLN A 62 -7.766 4.942 3.852 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.796 5.586 4.052 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.991 4.616 4.852 1.00 0.00 N ATOM 0 H GLN A 62 -7.719 5.025 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.083 7.011 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.776 5.103 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.874 6.064 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.282 4.394 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.876 3.557 2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.138 4.082 4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.239 4.895 5.801 1.00 0.00 H new ATOM 932 N PHE A 63 -5.691 7.543 -0.478 1.00 0.00 N ATOM 933 CA PHE A 63 -4.796 8.566 -1.007 1.00 0.00 C ATOM 934 C PHE A 63 -5.540 9.505 -1.945 1.00 0.00 C ATOM 935 O PHE A 63 -5.080 10.614 -2.218 1.00 0.00 O ATOM 936 CB PHE A 63 -3.635 7.912 -1.763 1.00 0.00 C ATOM 937 CG PHE A 63 -2.438 7.826 -0.856 1.00 0.00 C ATOM 938 CD1 PHE A 63 -2.263 6.710 -0.027 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.506 8.868 -0.840 1.00 0.00 C ATOM 940 CE1 PHE A 63 -1.152 6.639 0.820 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.394 8.797 0.007 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.218 7.683 0.838 1.00 0.00 C ATOM 0 H PHE A 63 -5.695 6.669 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.408 9.141 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.921 6.916 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.391 8.493 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.984 5.906 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.644 9.727 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.014 5.780 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.328 9.600 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.639 7.629 1.493 1.00 0.00 H new ATOM 952 N ARG A 64 -6.689 9.052 -2.437 1.00 0.00 N ATOM 953 CA ARG A 64 -7.493 9.852 -3.347 1.00 0.00 C ATOM 954 C ARG A 64 -6.711 10.182 -4.622 1.00 0.00 C ATOM 955 O ARG A 64 -7.196 10.924 -5.478 1.00 0.00 O ATOM 956 CB ARG A 64 -7.930 11.145 -2.657 1.00 0.00 C ATOM 957 CG ARG A 64 -9.368 10.998 -2.146 1.00 0.00 C ATOM 958 CD ARG A 64 -9.862 12.342 -1.604 1.00 0.00 C ATOM 959 NE ARG A 64 -10.979 12.136 -0.684 1.00 0.00 N ATOM 960 CZ ARG A 64 -12.136 11.633 -1.106 1.00 0.00 C ATOM 961 NH1 ARG A 64 -12.187 10.417 -1.574 1.00 0.00 N ATOM 962 NH2 ARG A 64 -13.222 12.356 -1.046 1.00 0.00 N ATOM 0 H ARG A 64 -7.082 8.136 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.374 9.273 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.260 11.370 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.865 11.980 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.018 10.659 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.410 10.241 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.049 12.856 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.174 12.982 -2.429 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.869 12.382 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.340 9.851 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.074 10.032 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.183 13.306 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.109 11.971 -1.369 1.00 0.00 H new ATOM 976 N VAL A 65 -5.508 9.619 -4.752 1.00 0.00 N ATOM 977 CA VAL A 65 -4.690 9.862 -5.937 1.00 0.00 C ATOM 978 C VAL A 65 -5.233 9.051 -7.106 1.00 0.00 C ATOM 979 O VAL A 65 -5.903 8.035 -6.909 1.00 0.00 O ATOM 980 CB VAL A 65 -3.220 9.493 -5.670 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.669 10.363 -4.538 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.105 8.015 -5.280 1.00 0.00 C ATOM 0 H VAL A 65 -5.085 9.000 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.733 10.923 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.644 9.666 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.628 10.100 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.732 11.413 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.254 10.196 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.060 7.768 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.688 7.830 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.486 7.394 -6.091 1.00 0.00 H new ATOM 992 N ALA A 66 -4.959 9.517 -8.319 1.00 0.00 N ATOM 993 CA ALA A 66 -5.443 8.846 -9.521 1.00 0.00 C ATOM 994 C ALA A 66 -5.097 7.357 -9.510 1.00 0.00 C ATOM 995 O ALA A 66 -4.185 6.924 -8.805 1.00 0.00 O ATOM 996 CB ALA A 66 -4.840 9.511 -10.757 1.00 0.00 C ATOM 0 H ALA A 66 -4.405 10.355 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.529 8.936 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.203 9.009 -11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.133 10.560 -10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.753 9.439 -10.715 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.835 6.584 -10.305 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.612 5.143 -10.394 1.00 0.00 C ATOM 1004 C LYS A 67 -4.295 4.866 -11.102 1.00 0.00 C ATOM 1005 O LYS A 67 -3.650 3.841 -10.879 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.764 4.480 -11.159 1.00 0.00 C ATOM 1007 CG LYS A 67 -6.840 5.040 -12.588 1.00 0.00 C ATOM 1008 CD LYS A 67 -8.222 4.742 -13.183 1.00 0.00 C ATOM 1009 CE LYS A 67 -8.484 5.658 -14.384 1.00 0.00 C ATOM 1010 NZ LYS A 67 -7.236 5.814 -15.185 1.00 0.00 N ATOM 0 H LYS A 67 -6.591 6.931 -10.895 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.570 4.728 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.616 3.401 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.706 4.658 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.661 6.115 -12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.062 4.593 -13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.276 3.698 -13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.993 4.891 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.276 5.240 -15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.830 6.633 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.478 6.118 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.625 6.528 -14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.733 4.905 -15.225 1.00 0.00 H new ATOM 1024 N SER A 68 -3.912 5.804 -11.954 1.00 0.00 N ATOM 1025 CA SER A 68 -2.676 5.703 -12.712 1.00 0.00 C ATOM 1026 C SER A 68 -1.490 6.138 -11.851 1.00 0.00 C ATOM 1027 O SER A 68 -0.334 5.921 -12.218 1.00 0.00 O ATOM 1028 CB SER A 68 -2.784 6.587 -13.956 1.00 0.00 C ATOM 1029 OG SER A 68 -1.489 7.013 -14.360 1.00 0.00 O ATOM 0 H SER A 68 -4.447 6.653 -12.139 1.00 0.00 H new ATOM 0 HA SER A 68 -2.515 4.668 -13.014 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.264 6.035 -14.764 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.412 7.453 -13.744 1.00 0.00 H new ATOM 0 HG SER A 68 -1.241 7.822 -13.865 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.788 6.755 -10.708 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.744 7.223 -9.801 1.00 0.00 C ATOM 1037 C GLN A 69 -0.381 6.136 -8.794 1.00 0.00 C ATOM 1038 O GLN A 69 0.632 6.241 -8.108 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.225 8.465 -9.035 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.292 9.712 -9.940 1.00 0.00 C ATOM 1041 CD GLN A 69 -1.068 9.365 -11.411 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -1.964 8.846 -12.074 1.00 0.00 O ATOM 1043 NE2 GLN A 69 0.076 9.645 -11.969 1.00 0.00 N ATOM 0 H GLN A 69 -2.739 6.941 -10.390 1.00 0.00 H new ATOM 0 HA GLN A 69 0.133 7.473 -10.398 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.211 8.271 -8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.552 8.659 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.264 10.192 -9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.540 10.433 -9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.820 10.076 -11.419 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.228 9.434 -12.955 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.210 5.093 -8.714 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.961 3.990 -7.787 1.00 0.00 C ATOM 1054 C VAL A 70 -0.463 2.761 -8.546 1.00 0.00 C ATOM 1055 O VAL A 70 -1.244 2.029 -9.157 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.239 3.660 -6.992 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -3.451 3.596 -7.927 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.074 2.311 -6.280 1.00 0.00 C ATOM 0 H VAL A 70 -2.054 4.990 -9.277 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.188 4.293 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.401 4.447 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.345 3.362 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.580 4.559 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.291 2.822 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.980 2.082 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.897 1.529 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.227 2.362 -5.596 1.00 0.00 H new ATOM 1068 N VAL A 71 0.852 2.555 -8.516 1.00 0.00 N ATOM 1069 CA VAL A 71 1.464 1.421 -9.217 1.00 0.00 C ATOM 1070 C VAL A 71 2.154 0.456 -8.249 1.00 0.00 C ATOM 1071 O VAL A 71 3.068 0.835 -7.518 1.00 0.00 O ATOM 1072 CB VAL A 71 2.493 1.933 -10.233 1.00 0.00 C ATOM 1073 CG1 VAL A 71 2.920 0.789 -11.159 1.00 0.00 C ATOM 1074 CG2 VAL A 71 1.872 3.056 -11.070 1.00 0.00 C ATOM 0 H VAL A 71 1.513 3.152 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 71 0.665 0.880 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 71 3.364 2.312 -9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.651 1.157 -11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.365 -0.011 -10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.049 0.406 -11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.604 3.419 -11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.999 2.675 -11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.571 3.874 -10.415 1.00 0.00 H new ATOM 1084 N ILE A 72 1.717 -0.803 -8.283 1.00 0.00 N ATOM 1085 CA ILE A 72 2.294 -1.852 -7.442 1.00 0.00 C ATOM 1086 C ILE A 72 3.452 -2.523 -8.180 1.00 0.00 C ATOM 1087 O ILE A 72 3.254 -3.489 -8.917 1.00 0.00 O ATOM 1088 CB ILE A 72 1.219 -2.891 -7.101 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.025 -2.191 -6.439 1.00 0.00 C ATOM 1090 CG2 ILE A 72 1.792 -3.938 -6.137 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -1.205 -3.100 -6.498 1.00 0.00 C ATOM 0 H ILE A 72 0.960 -1.123 -8.888 1.00 0.00 H new ATOM 0 HA ILE A 72 2.667 -1.410 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 72 0.895 -3.385 -8.017 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.261 -1.950 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.183 -1.249 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.023 -4.673 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.640 -4.438 -6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.121 -3.448 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.051 -2.599 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.446 -3.318 -7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.995 -4.031 -5.971 1.00 0.00 H new ATOM 1103 N GLU A 73 4.657 -1.996 -7.981 1.00 0.00 N ATOM 1104 CA GLU A 73 5.850 -2.543 -8.632 1.00 0.00 C ATOM 1105 C GLU A 73 6.159 -3.950 -8.115 1.00 0.00 C ATOM 1106 O GLU A 73 7.167 -4.549 -8.494 1.00 0.00 O ATOM 1107 CB GLU A 73 7.052 -1.627 -8.372 1.00 0.00 C ATOM 1108 CG GLU A 73 7.080 -0.506 -9.415 1.00 0.00 C ATOM 1109 CD GLU A 73 8.012 0.615 -8.956 1.00 0.00 C ATOM 1110 OE1 GLU A 73 9.159 0.323 -8.662 1.00 0.00 O ATOM 1111 OE2 GLU A 73 7.563 1.749 -8.910 1.00 0.00 O ATOM 0 H GLU A 73 4.836 -1.194 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 73 5.657 -2.601 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.989 -1.203 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.977 -2.202 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.417 -0.899 -10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.074 -0.114 -9.566 1.00 0.00 H new ATOM 1118 N LYS A 74 5.282 -4.468 -7.253 1.00 0.00 N ATOM 1119 CA LYS A 74 5.448 -5.794 -6.679 1.00 0.00 C ATOM 1120 C LYS A 74 4.436 -5.968 -5.560 1.00 0.00 C ATOM 1121 O LYS A 74 4.163 -5.031 -4.809 1.00 0.00 O ATOM 1122 CB LYS A 74 6.867 -5.983 -6.129 1.00 0.00 C ATOM 1123 CG LYS A 74 7.617 -7.013 -6.979 1.00 0.00 C ATOM 1124 CD LYS A 74 9.124 -6.880 -6.736 1.00 0.00 C ATOM 1125 CE LYS A 74 9.858 -8.059 -7.380 1.00 0.00 C ATOM 1126 NZ LYS A 74 11.280 -7.686 -7.626 1.00 0.00 N ATOM 0 H LYS A 74 4.444 -3.980 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 74 5.287 -6.541 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.400 -5.032 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.824 -6.315 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.285 -8.020 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.394 -6.860 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.488 -5.941 -7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.328 -6.853 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.807 -8.932 -6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.375 -8.333 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.778 -8.487 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.318 -6.865 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.737 -7.445 -6.723 1.00 0.00 H new ATOM 1140 N GLY A 75 3.868 -7.157 -5.471 1.00 0.00 N ATOM 1141 CA GLY A 75 2.863 -7.445 -4.456 1.00 0.00 C ATOM 1142 C GLY A 75 1.656 -8.099 -5.100 1.00 0.00 C ATOM 1143 O GLY A 75 0.830 -8.708 -4.419 1.00 0.00 O ATOM 0 H GLY A 75 4.083 -7.940 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.281 -8.102 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.565 -6.524 -3.954 1.00 0.00 H new ATOM 1147 N GLU A 76 1.572 -7.965 -6.426 1.00 0.00 N ATOM 1148 CA GLU A 76 0.466 -8.547 -7.189 1.00 0.00 C ATOM 1149 C GLU A 76 0.026 -9.877 -6.587 1.00 0.00 C ATOM 1150 O GLU A 76 -1.167 -10.130 -6.418 1.00 0.00 O ATOM 1151 CB GLU A 76 0.901 -8.785 -8.638 1.00 0.00 C ATOM 1152 CG GLU A 76 0.921 -7.460 -9.395 1.00 0.00 C ATOM 1153 CD GLU A 76 1.458 -7.675 -10.809 1.00 0.00 C ATOM 1154 OE1 GLU A 76 2.539 -8.229 -10.935 1.00 0.00 O ATOM 1155 OE2 GLU A 76 0.781 -7.282 -11.744 1.00 0.00 O ATOM 0 H GLU A 76 2.254 -7.460 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.368 -7.847 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.890 -9.242 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.217 -9.481 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.084 -7.041 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.544 -6.739 -8.866 1.00 0.00 H new ATOM 1162 N LEU A 77 1.003 -10.726 -6.275 1.00 0.00 N ATOM 1163 CA LEU A 77 0.717 -12.036 -5.703 1.00 0.00 C ATOM 1164 C LEU A 77 1.561 -12.280 -4.451 1.00 0.00 C ATOM 1165 O LEU A 77 1.063 -12.792 -3.449 1.00 0.00 O ATOM 1166 CB LEU A 77 1.011 -13.118 -6.747 1.00 0.00 C ATOM 1167 CG LEU A 77 0.117 -14.339 -6.493 1.00 0.00 C ATOM 1168 CD1 LEU A 77 -0.227 -15.015 -7.822 1.00 0.00 C ATOM 1169 CD2 LEU A 77 0.852 -15.339 -5.595 1.00 0.00 C ATOM 0 H LEU A 77 1.995 -10.530 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.334 -12.073 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.834 -12.728 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.061 -13.408 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.800 -14.012 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.862 -15.881 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.755 -14.309 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.690 -15.337 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.214 -16.205 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.771 -15.660 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.094 -14.865 -4.644 1.00 0.00 H new ATOM 1181 N GLY A 78 2.841 -11.915 -4.522 1.00 0.00 N ATOM 1182 CA GLY A 78 3.758 -12.100 -3.396 1.00 0.00 C ATOM 1183 C GLY A 78 3.306 -11.325 -2.163 1.00 0.00 C ATOM 1184 O GLY A 78 2.546 -10.360 -2.266 1.00 0.00 O ATOM 0 H GLY A 78 3.267 -11.490 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.826 -13.161 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.757 -11.774 -3.684 1.00 0.00 H new ATOM 1188 N ARG A 79 3.795 -11.751 -0.998 1.00 0.00 N ATOM 1189 CA ARG A 79 3.456 -11.090 0.256 1.00 0.00 C ATOM 1190 C ARG A 79 4.178 -9.753 0.333 1.00 0.00 C ATOM 1191 O ARG A 79 3.648 -8.781 0.870 1.00 0.00 O ATOM 1192 CB ARG A 79 3.868 -11.966 1.440 1.00 0.00 C ATOM 1193 CG ARG A 79 3.096 -13.291 1.395 1.00 0.00 C ATOM 1194 CD ARG A 79 4.029 -14.451 1.766 1.00 0.00 C ATOM 1195 NE ARG A 79 4.871 -14.813 0.628 1.00 0.00 N ATOM 1196 CZ ARG A 79 4.823 -16.029 0.091 1.00 0.00 C ATOM 1197 NH1 ARG A 79 5.039 -17.080 0.833 1.00 0.00 N ATOM 1198 NH2 ARG A 79 4.563 -16.171 -1.179 1.00 0.00 N ATOM 0 H ARG A 79 4.424 -12.548 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 79 2.379 -10.927 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.941 -12.157 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.665 -11.447 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.254 -13.255 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.684 -13.448 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.654 -14.167 2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.440 -15.313 2.080 1.00 0.00 H new ATOM 0 HE ARG A 79 5.509 -14.119 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.245 -16.970 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.002 -18.012 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.396 -15.350 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.526 -17.103 -1.591 1.00 0.00 H new ATOM 1212 N HIS A 80 5.375 -9.705 -0.250 1.00 0.00 N ATOM 1213 CA HIS A 80 6.142 -8.464 -0.280 1.00 0.00 C ATOM 1214 C HIS A 80 5.418 -7.511 -1.213 1.00 0.00 C ATOM 1215 O HIS A 80 4.820 -7.956 -2.191 1.00 0.00 O ATOM 1216 CB HIS A 80 7.562 -8.725 -0.789 1.00 0.00 C ATOM 1217 CG HIS A 80 8.435 -9.163 0.352 1.00 0.00 C ATOM 1218 ND1 HIS A 80 9.538 -8.432 0.759 1.00 0.00 N ATOM 1219 CD2 HIS A 80 8.385 -10.259 1.179 1.00 0.00 C ATOM 1220 CE1 HIS A 80 10.103 -9.088 1.787 1.00 0.00 C ATOM 1221 NE2 HIS A 80 9.438 -10.209 2.085 1.00 0.00 N ATOM 0 H HIS A 80 5.828 -10.499 -0.701 1.00 0.00 H new ATOM 0 HA HIS A 80 6.223 -8.040 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.546 -9.492 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.968 -7.821 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.641 -11.040 1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.986 -8.751 2.309 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.656 -10.883 2.819 1.00 0.00 H new ATOM 1229 N LYS A 81 5.419 -6.214 -0.916 1.00 0.00 N ATOM 1230 CA LYS A 81 4.689 -5.297 -1.771 1.00 0.00 C ATOM 1231 C LYS A 81 5.294 -3.905 -1.739 1.00 0.00 C ATOM 1232 O LYS A 81 5.874 -3.491 -0.741 1.00 0.00 O ATOM 1233 CB LYS A 81 3.223 -5.290 -1.313 1.00 0.00 C ATOM 1234 CG LYS A 81 2.552 -3.949 -1.573 1.00 0.00 C ATOM 1235 CD LYS A 81 1.045 -4.137 -1.384 1.00 0.00 C ATOM 1236 CE LYS A 81 0.390 -4.386 -2.746 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.762 -5.315 -2.584 1.00 0.00 N ATOM 0 H LYS A 81 5.898 -5.791 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 81 4.749 -5.627 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.676 -6.076 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.174 -5.520 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.932 -3.192 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.770 -3.602 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.853 -4.977 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.613 -3.253 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.052 -3.443 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.117 -4.810 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.433 -5.176 -3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.420 -6.297 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.239 -5.122 -1.681 1.00 0.00 H new ATOM 1251 N GLN A 82 5.140 -3.193 -2.851 1.00 0.00 N ATOM 1252 CA GLN A 82 5.653 -1.841 -2.977 1.00 0.00 C ATOM 1253 C GLN A 82 4.720 -1.066 -3.885 1.00 0.00 C ATOM 1254 O GLN A 82 4.593 -1.375 -5.071 1.00 0.00 O ATOM 1255 CB GLN A 82 7.076 -1.842 -3.552 1.00 0.00 C ATOM 1256 CG GLN A 82 7.293 -3.099 -4.398 1.00 0.00 C ATOM 1257 CD GLN A 82 8.623 -3.009 -5.143 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.514 -3.952 -4.991 1.00 0.00 O flip ATOM 1259 NE2 GLN A 82 8.856 -2.056 -5.888 1.00 0.00 N flip ATOM 0 H GLN A 82 4.659 -3.537 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 82 5.700 -1.374 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.233 -0.951 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.805 -1.807 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.284 -3.982 -3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.476 -3.213 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.160 -1.320 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.745 -2.003 -6.386 1.00 0.00 H new ATOM 1268 N ILE A 83 4.046 -0.082 -3.314 1.00 0.00 N ATOM 1269 CA ILE A 83 3.094 0.712 -4.071 1.00 0.00 C ATOM 1270 C ILE A 83 3.628 2.116 -4.282 1.00 0.00 C ATOM 1271 O ILE A 83 4.109 2.758 -3.349 1.00 0.00 O ATOM 1272 CB ILE A 83 1.758 0.764 -3.323 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.432 -0.636 -2.779 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.653 1.220 -4.280 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.077 -0.625 -2.067 1.00 0.00 C ATOM 0 H ILE A 83 4.140 0.185 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 83 2.942 0.249 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 83 1.825 1.470 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.415 -1.357 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.212 -0.956 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.297 1.257 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.892 2.211 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.577 0.517 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.142 -1.623 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.108 0.081 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.701 -0.326 -2.770 1.00 0.00 H new ATOM 1287 N LYS A 84 3.545 2.578 -5.522 1.00 0.00 N ATOM 1288 CA LYS A 84 4.032 3.903 -5.872 1.00 0.00 C ATOM 1289 C LYS A 84 2.866 4.872 -6.019 1.00 0.00 C ATOM 1290 O LYS A 84 2.013 4.695 -6.884 1.00 0.00 O ATOM 1291 CB LYS A 84 4.815 3.831 -7.190 1.00 0.00 C ATOM 1292 CG LYS A 84 6.071 4.704 -7.102 1.00 0.00 C ATOM 1293 CD LYS A 84 5.806 6.063 -7.764 1.00 0.00 C ATOM 1294 CE LYS A 84 4.950 6.935 -6.843 1.00 0.00 C ATOM 1295 NZ LYS A 84 5.480 8.326 -6.844 1.00 0.00 N ATOM 0 H LYS A 84 3.145 2.055 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 84 4.688 4.260 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.094 2.799 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.186 4.166 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.354 4.846 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.907 4.206 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.751 6.563 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.298 5.919 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.913 6.929 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.959 6.532 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.765 8.970 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.342 8.369 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.704 8.611 -7.819 1.00 0.00 H new ATOM 1309 N ILE A 85 2.842 5.896 -5.168 1.00 0.00 N ATOM 1310 CA ILE A 85 1.779 6.896 -5.212 1.00 0.00 C ATOM 1311 C ILE A 85 2.303 8.197 -5.818 1.00 0.00 C ATOM 1312 O ILE A 85 2.946 8.997 -5.137 1.00 0.00 O ATOM 1313 CB ILE A 85 1.240 7.154 -3.795 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.224 6.063 -3.423 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.542 8.520 -3.738 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.934 4.715 -3.266 1.00 0.00 C ATOM 0 H ILE A 85 3.543 6.054 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 85 0.968 6.520 -5.836 1.00 0.00 H new ATOM 0 HB ILE A 85 2.075 7.141 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.281 6.327 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.543 5.991 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.164 8.694 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.254 9.303 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.288 8.534 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.205 3.948 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.418 4.447 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.684 4.788 -2.479 1.00 0.00 H new ATOM 1328 N ILE A 86 2.027 8.398 -7.106 1.00 0.00 N ATOM 1329 CA ILE A 86 2.476 9.604 -7.799 1.00 0.00 C ATOM 1330 C ILE A 86 1.530 10.766 -7.515 1.00 0.00 C ATOM 1331 O ILE A 86 0.340 10.559 -7.275 1.00 0.00 O ATOM 1332 CB ILE A 86 2.533 9.362 -9.313 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.227 8.022 -9.597 1.00 0.00 C ATOM 1334 CG2 ILE A 86 3.317 10.497 -9.986 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.177 7.715 -11.097 1.00 0.00 C ATOM 0 H ILE A 86 1.499 7.747 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 86 3.473 9.851 -7.434 1.00 0.00 H new ATOM 0 HB ILE A 86 1.519 9.335 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.263 8.060 -9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.739 7.224 -9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.357 10.324 -11.061 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.821 11.448 -9.790 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.330 10.526 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.671 6.763 -11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.138 7.657 -11.422 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.686 8.506 -11.647 1.00 0.00 H new ATOM 1347 N ASN A 87 2.069 11.985 -7.557 1.00 0.00 N ATOM 1348 CA ASN A 87 1.268 13.185 -7.316 1.00 0.00 C ATOM 1349 C ASN A 87 0.308 12.973 -6.143 1.00 0.00 C ATOM 1350 O ASN A 87 -0.874 12.684 -6.340 1.00 0.00 O ATOM 1351 CB ASN A 87 0.481 13.533 -8.587 1.00 0.00 C ATOM 1352 CG ASN A 87 1.355 14.342 -9.543 1.00 0.00 C ATOM 1353 OD1 ASN A 87 2.583 14.299 -9.453 1.00 0.00 O ATOM 1354 ND2 ASN A 87 0.792 15.077 -10.461 1.00 0.00 N ATOM 0 H ASN A 87 3.053 12.167 -7.755 1.00 0.00 H new ATOM 0 HA ASN A 87 1.935 14.009 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.143 12.619 -9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.411 14.103 -8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.368 15.618 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.225 15.111 -10.534 1.00 0.00 H new ATOM 1361 N PRO A 88 0.797 13.099 -4.934 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.025 12.905 -3.708 1.00 0.00 C ATOM 1363 C PRO A 88 -0.991 14.061 -3.465 1.00 0.00 C ATOM 1364 O PRO A 88 -0.610 15.229 -3.540 1.00 0.00 O ATOM 1365 CB PRO A 88 0.994 12.799 -2.563 1.00 0.00 C ATOM 1366 CG PRO A 88 2.359 12.935 -3.173 1.00 0.00 C ATOM 1367 CD PRO A 88 2.182 13.446 -4.603 1.00 0.00 C ATOM 0 HA PRO A 88 -0.655 12.020 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.824 13.580 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.896 11.844 -2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.970 13.627 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.876 11.975 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.350 14.521 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.887 12.972 -5.286 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.238 13.716 -3.162 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.265 14.712 -2.891 1.00 0.00 C ATOM 1377 C GLN A 89 -3.774 14.544 -1.464 1.00 0.00 C ATOM 1378 O GLN A 89 -4.245 15.498 -0.842 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.423 14.544 -3.881 1.00 0.00 C ATOM 1380 CG GLN A 89 -5.500 15.606 -3.624 1.00 0.00 C ATOM 1381 CD GLN A 89 -4.946 17.000 -3.909 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -4.366 17.632 -3.025 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -5.092 17.521 -5.097 1.00 0.00 N ATOM 0 H GLN A 89 -2.561 12.751 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.841 15.710 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.053 14.631 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.854 13.548 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.367 15.415 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.840 15.546 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.572 16.997 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.726 18.452 -5.294 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.663 13.321 -0.954 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.099 13.013 0.399 1.00 0.00 C ATOM 1394 C GLN A 90 -3.187 11.959 1.011 1.00 0.00 C ATOM 1395 O GLN A 90 -3.103 10.836 0.518 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.541 12.495 0.378 1.00 0.00 C ATOM 1397 CG GLN A 90 -6.068 12.369 1.811 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.592 12.309 1.804 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -8.251 13.264 1.395 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.194 11.234 2.235 1.00 0.00 N ATOM 0 H GLN A 90 -3.273 12.527 -1.461 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.052 13.921 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.173 13.175 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.582 11.527 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.663 11.472 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.732 13.218 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.646 10.443 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.213 11.185 2.233 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.505 12.333 2.085 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.597 11.416 2.762 1.00 0.00 C ATOM 1411 C ILE A 91 -2.138 11.050 4.146 1.00 0.00 C ATOM 1412 O ILE A 91 -2.232 11.904 5.030 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.204 12.050 2.890 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.741 11.065 3.590 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.287 13.350 3.703 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.166 11.250 3.060 1.00 0.00 C ATOM 0 H ILE A 91 -2.562 13.261 2.505 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.518 10.505 2.169 1.00 0.00 H new ATOM 0 HB ILE A 91 0.177 12.280 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.719 11.229 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.408 10.042 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.706 13.791 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.954 14.051 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.673 13.132 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.834 10.549 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.182 11.064 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.498 12.270 3.256 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.495 9.803 4.347 1.00 0.00 N ATOM 1429 CA PRO A 92 -3.035 9.332 5.651 1.00 0.00 C ATOM 1430 C PRO A 92 -1.985 9.408 6.760 1.00 0.00 C ATOM 1431 O PRO A 92 -0.803 9.158 6.521 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.469 7.880 5.408 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.180 7.555 3.974 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.414 8.725 3.355 1.00 0.00 C ATOM 0 HA PRO A 92 -3.863 9.958 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.929 7.203 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.531 7.757 5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.593 6.639 3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.109 7.381 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.378 8.454 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.857 9.028 2.406 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.398 9.746 7.959 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.483 9.858 9.130 1.00 0.00 C ATOM 1444 C PRO A 93 -0.588 8.629 9.266 1.00 0.00 C ATOM 1445 O PRO A 93 0.498 8.698 9.842 1.00 0.00 O ATOM 1446 CB PRO A 93 -2.410 9.987 10.347 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.821 9.937 9.841 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.783 10.061 8.318 1.00 0.00 C ATOM 0 HA PRO A 93 -0.809 10.708 9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.227 9.180 11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.224 10.923 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.298 9.002 10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.410 10.745 10.274 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.482 9.371 7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.058 11.065 7.994 1.00 0.00 H new ATOM 1456 N GLU A 94 -1.056 7.509 8.724 1.00 0.00 N ATOM 1457 CA GLU A 94 -0.303 6.261 8.772 1.00 0.00 C ATOM 1458 C GLU A 94 1.048 6.429 8.087 1.00 0.00 C ATOM 1459 O GLU A 94 2.098 6.232 8.701 1.00 0.00 O ATOM 1460 CB GLU A 94 -1.095 5.165 8.058 1.00 0.00 C ATOM 1461 CG GLU A 94 -0.455 3.798 8.326 1.00 0.00 C ATOM 1462 CD GLU A 94 0.625 3.505 7.284 1.00 0.00 C ATOM 1463 OE1 GLU A 94 0.267 3.176 6.165 1.00 0.00 O ATOM 1464 OE2 GLU A 94 1.794 3.611 7.621 1.00 0.00 O ATOM 0 H GLU A 94 -1.954 7.440 8.246 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.141 5.987 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.128 5.167 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.118 5.361 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.020 3.782 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.218 3.020 8.298 1.00 0.00 H new ATOM 1471 N VAL A 95 1.007 6.800 6.809 1.00 0.00 N ATOM 1472 CA VAL A 95 2.228 7.000 6.037 1.00 0.00 C ATOM 1473 C VAL A 95 2.870 8.323 6.434 1.00 0.00 C ATOM 1474 O VAL A 95 4.080 8.509 6.292 1.00 0.00 O ATOM 1475 CB VAL A 95 1.904 7.006 4.536 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.193 7.195 3.724 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.249 5.674 4.147 1.00 0.00 C ATOM 0 H VAL A 95 0.145 6.967 6.290 1.00 0.00 H new ATOM 0 HA VAL A 95 2.922 6.186 6.245 1.00 0.00 H new ATOM 0 HB VAL A 95 1.220 7.827 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.956 7.198 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.658 8.143 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.882 6.378 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.019 5.679 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.933 4.854 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.329 5.541 4.716 1.00 0.00 H new ATOM 1487 N ALA A 96 2.043 9.233 6.937 1.00 0.00 N ATOM 1488 CA ALA A 96 2.522 10.543 7.362 1.00 0.00 C ATOM 1489 C ALA A 96 3.264 10.443 8.691 1.00 0.00 C ATOM 1490 O ALA A 96 4.148 11.241 8.970 1.00 0.00 O ATOM 1491 CB ALA A 96 1.346 11.515 7.502 1.00 0.00 C ATOM 0 H ALA A 96 1.041 9.088 7.060 1.00 0.00 H new ATOM 0 HA ALA A 96 3.211 10.915 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.716 12.490 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.840 11.614 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.645 11.133 8.244 1.00 0.00 H new ATOM 1497 N ALA A 97 2.893 9.463 9.509 1.00 0.00 N ATOM 1498 CA ALA A 97 3.529 9.282 10.813 1.00 0.00 C ATOM 1499 C ALA A 97 5.046 9.153 10.675 1.00 0.00 C ATOM 1500 O ALA A 97 5.793 9.547 11.571 1.00 0.00 O ATOM 1501 CB ALA A 97 2.973 8.030 11.494 1.00 0.00 C ATOM 0 H ALA A 97 2.161 8.786 9.296 1.00 0.00 H new ATOM 0 HA ALA A 97 3.310 10.161 11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.451 7.901 12.465 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.897 8.138 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.174 7.158 10.872 1.00 0.00 H new ATOM 1507 N LEU A 98 5.490 8.592 9.553 1.00 0.00 N ATOM 1508 CA LEU A 98 6.920 8.406 9.310 1.00 0.00 C ATOM 1509 C LEU A 98 7.497 9.571 8.510 1.00 0.00 C ATOM 1510 O LEU A 98 8.704 9.633 8.272 1.00 0.00 O ATOM 1511 CB LEU A 98 7.154 7.101 8.543 1.00 0.00 C ATOM 1512 CG LEU A 98 6.296 5.978 9.144 1.00 0.00 C ATOM 1513 CD1 LEU A 98 5.310 5.465 8.089 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.199 4.827 9.599 1.00 0.00 C ATOM 0 H LEU A 98 4.886 8.260 8.802 1.00 0.00 H new ATOM 0 HA LEU A 98 7.423 8.363 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.904 7.238 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.208 6.828 8.587 1.00 0.00 H new ATOM 0 HG LEU A 98 5.744 6.366 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.702 4.668 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.664 6.282 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.862 5.080 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.588 4.032 10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.754 4.440 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.899 5.189 10.352 1.00 0.00 H new ATOM 1526 N ILE A 99 6.626 10.484 8.090 1.00 0.00 N ATOM 1527 CA ILE A 99 7.048 11.643 7.307 1.00 0.00 C ATOM 1528 C ILE A 99 6.766 12.941 8.066 1.00 0.00 C ATOM 1529 O ILE A 99 7.330 13.989 7.755 1.00 0.00 O ATOM 1530 CB ILE A 99 6.310 11.644 5.962 1.00 0.00 C ATOM 1531 CG1 ILE A 99 6.584 10.322 5.227 1.00 0.00 C ATOM 1532 CG2 ILE A 99 6.794 12.817 5.101 1.00 0.00 C ATOM 1533 CD1 ILE A 99 8.090 10.129 5.021 1.00 0.00 C ATOM 0 H ILE A 99 5.624 10.445 8.278 1.00 0.00 H new ATOM 0 HA ILE A 99 8.122 11.580 7.132 1.00 0.00 H new ATOM 0 HB ILE A 99 5.240 11.749 6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.179 9.489 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.075 10.322 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.265 12.811 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.596 13.755 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.865 12.720 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.268 9.189 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.485 10.954 4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.590 10.107 5.989 1.00 0.00 H new ATOM 1545 N ASN A 100 5.885 12.859 9.061 1.00 0.00 N ATOM 1546 CA ASN A 100 5.518 14.023 9.865 1.00 0.00 C ATOM 1547 C ASN A 100 6.385 14.118 11.118 1.00 0.00 C ATOM 1548 O ASN A 100 6.318 15.111 11.841 1.00 0.00 O ATOM 1549 CB ASN A 100 4.043 13.930 10.278 1.00 0.00 C ATOM 1550 CG ASN A 100 3.145 14.455 9.160 1.00 0.00 C ATOM 1551 OD1 ASN A 100 3.465 14.232 7.915 1.00 0.00 O flip ATOM 1552 ND2 ASN A 100 2.122 15.085 9.430 1.00 0.00 N flip ATOM 0 H ASN A 100 5.411 11.997 9.330 1.00 0.00 H new ATOM 0 HA ASN A 100 5.678 14.915 9.259 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.786 12.895 10.504 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.876 14.506 11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.872 15.259 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.524 15.433 8.680 1.00 0.00 H new