USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 600 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 25 ASN : amide:sc= -0.303 K(o=-0.36,f=-3.4!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -144:sc= -0.0542 (180deg=-1.43!) USER MOD Set 2.1: A 6 CYS SG : rot 180:sc= -0.593 USER MOD Set 2.2: A 7 GLN : amide:sc= 0 X(o=-0.59,f=-0.59) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -107:sc= -1.55 (180deg=-8.54!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0823) USER MOD Single : A 16 TYR OH : rot -137:sc= -3.41! USER MOD Single : A 19 SER OG : rot -151:sc= 0.892 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0148) USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.0695 (180deg=-0.387) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.98! C(o=-2!,f=-4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.35) USER MOD Single : A 52 TYR OH : rot 59:sc= -4.96! USER MOD Single : A 54 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.4!) USER MOD Single : A 55 SER OG : rot 133:sc= -1.35! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -16.6! C(o=-17!,f=-19!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 66:sc= 1.01 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 9.484 3.965 -4.587 1.00 0.00 N ATOM 47 CA LEU A 4 8.085 3.726 -4.898 1.00 0.00 C ATOM 48 C LEU A 4 7.396 3.103 -3.684 1.00 0.00 C ATOM 49 O LEU A 4 6.170 3.136 -3.575 1.00 0.00 O ATOM 50 CB LEU A 4 7.955 2.892 -6.174 1.00 0.00 C ATOM 51 CG LEU A 4 7.811 1.381 -5.977 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.932 0.641 -7.310 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.813 0.866 -4.941 1.00 0.00 C ATOM 0 HA LEU A 4 7.575 4.667 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.089 3.250 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.832 3.075 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 4 6.813 1.180 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.826 -0.431 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.149 0.981 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.907 0.844 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.690 -0.210 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.827 1.080 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.636 1.361 -3.986 1.00 0.00 H new ATOM 65 N SER A 5 8.212 2.547 -2.800 1.00 0.00 N ATOM 66 CA SER A 5 7.696 1.918 -1.596 1.00 0.00 C ATOM 67 C SER A 5 6.651 2.822 -0.938 1.00 0.00 C ATOM 68 O SER A 5 5.616 2.346 -0.477 1.00 0.00 O ATOM 69 CB SER A 5 8.823 1.605 -0.611 1.00 0.00 C ATOM 70 OG SER A 5 8.405 0.707 0.413 1.00 0.00 O ATOM 0 H SER A 5 9.227 2.519 -2.894 1.00 0.00 H new ATOM 0 HA SER A 5 7.225 0.976 -1.878 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.666 1.172 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.176 2.532 -0.158 1.00 0.00 H new ATOM 0 HG SER A 5 9.154 0.532 1.020 1.00 0.00 H new ATOM 76 N CYS A 6 6.960 4.110 -0.917 1.00 0.00 N ATOM 77 CA CYS A 6 6.061 5.085 -0.324 1.00 0.00 C ATOM 78 C CYS A 6 4.745 5.062 -1.103 1.00 0.00 C ATOM 79 O CYS A 6 3.700 4.719 -0.554 1.00 0.00 O ATOM 80 CB CYS A 6 6.682 6.483 -0.294 1.00 0.00 C ATOM 81 SG CYS A 6 5.555 7.834 -0.796 1.00 0.00 S ATOM 0 H CYS A 6 7.820 4.501 -1.301 1.00 0.00 H new ATOM 0 HA CYS A 6 5.871 4.821 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.041 6.684 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.553 6.493 -0.950 1.00 0.00 H new ATOM 0 HG CYS A 6 6.184 8.970 -0.731 1.00 0.00 H new ATOM 86 N GLN A 7 4.839 5.432 -2.372 1.00 0.00 N ATOM 87 CA GLN A 7 3.669 5.458 -3.233 1.00 0.00 C ATOM 88 C GLN A 7 2.770 4.254 -2.944 1.00 0.00 C ATOM 89 O GLN A 7 1.557 4.399 -2.800 1.00 0.00 O ATOM 90 CB GLN A 7 4.074 5.498 -4.708 1.00 0.00 C ATOM 91 CG GLN A 7 4.279 6.938 -5.181 1.00 0.00 C ATOM 92 CD GLN A 7 5.745 7.194 -5.539 1.00 0.00 C ATOM 93 OE1 GLN A 7 6.230 6.805 -6.589 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.419 7.867 -4.612 1.00 0.00 N ATOM 0 H GLN A 7 5.708 5.716 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 7 3.106 6.367 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.993 4.930 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.305 5.019 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.650 7.132 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.966 7.630 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.951 8.163 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.404 8.088 -4.757 1.00 0.00 H new ATOM 103 N MET A 8 3.400 3.091 -2.867 1.00 0.00 N ATOM 104 CA MET A 8 2.673 1.861 -2.597 1.00 0.00 C ATOM 105 C MET A 8 1.785 2.011 -1.360 1.00 0.00 C ATOM 106 O MET A 8 0.642 1.557 -1.354 1.00 0.00 O ATOM 107 CB MET A 8 3.665 0.719 -2.379 1.00 0.00 C ATOM 108 CG MET A 8 4.470 0.440 -3.651 1.00 0.00 C ATOM 109 SD MET A 8 5.678 -0.836 -3.342 1.00 0.00 S ATOM 110 CE MET A 8 6.027 -1.346 -5.016 1.00 0.00 C ATOM 0 H MET A 8 4.406 2.974 -2.987 1.00 0.00 H new ATOM 0 HA MET A 8 2.036 1.641 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.343 0.972 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.128 -0.181 -2.079 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.801 0.132 -4.454 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.968 1.351 -3.983 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.575 -2.321 -5.201 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.614 -0.616 -5.712 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.106 -1.413 -5.159 1.00 0.00 H new ATOM 120 N CYS A 9 2.345 2.648 -0.342 1.00 0.00 N ATOM 121 CA CYS A 9 1.618 2.861 0.898 1.00 0.00 C ATOM 122 C CYS A 9 0.360 3.674 0.583 1.00 0.00 C ATOM 123 O CYS A 9 -0.665 3.517 1.244 1.00 0.00 O ATOM 124 CB CYS A 9 2.489 3.545 1.954 1.00 0.00 C ATOM 125 SG CYS A 9 1.582 4.641 3.105 1.00 0.00 S ATOM 0 H CYS A 9 3.293 3.023 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 9 1.332 1.900 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.002 2.778 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.257 4.129 1.448 1.00 0.00 H new ATOM 130 N GLU A 10 0.480 4.524 -0.427 1.00 0.00 N ATOM 131 CA GLU A 10 -0.635 5.361 -0.836 1.00 0.00 C ATOM 132 C GLU A 10 -1.607 4.561 -1.705 1.00 0.00 C ATOM 133 O GLU A 10 -2.695 5.038 -2.026 1.00 0.00 O ATOM 134 CB GLU A 10 -0.142 6.608 -1.573 1.00 0.00 C ATOM 135 CG GLU A 10 -0.290 7.855 -0.698 1.00 0.00 C ATOM 136 CD GLU A 10 0.989 8.694 -0.716 1.00 0.00 C ATOM 137 OE1 GLU A 10 1.154 9.456 -1.693 1.00 0.00 O ATOM 138 OE2 GLU A 10 1.774 8.554 0.247 1.00 0.00 O ATOM 0 H GLU A 10 1.332 4.651 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.164 5.692 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.903 6.479 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.708 6.737 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.128 8.455 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.521 7.560 0.326 1.00 0.00 H new ATOM 146 N LEU A 11 -1.181 3.358 -2.061 1.00 0.00 N ATOM 147 CA LEU A 11 -2.002 2.487 -2.885 1.00 0.00 C ATOM 148 C LEU A 11 -2.872 1.610 -1.984 1.00 0.00 C ATOM 149 O LEU A 11 -4.054 1.409 -2.260 1.00 0.00 O ATOM 150 CB LEU A 11 -1.128 1.693 -3.859 1.00 0.00 C ATOM 151 CG LEU A 11 -1.857 0.668 -4.731 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.801 1.359 -5.718 1.00 0.00 C ATOM 153 CD2 LEU A 11 -0.863 -0.255 -5.438 1.00 0.00 C ATOM 0 H LEU A 11 -0.278 2.966 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.678 3.075 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.615 2.398 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.360 1.173 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.472 0.043 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.306 0.608 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.542 1.939 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.228 2.023 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.407 -0.974 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.204 0.338 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.269 -0.788 -4.695 1.00 0.00 H new ATOM 165 N VAL A 12 -2.254 1.108 -0.924 1.00 0.00 N ATOM 166 CA VAL A 12 -2.957 0.256 0.019 1.00 0.00 C ATOM 167 C VAL A 12 -3.994 1.088 0.776 1.00 0.00 C ATOM 168 O VAL A 12 -5.152 0.687 0.893 1.00 0.00 O ATOM 169 CB VAL A 12 -1.955 -0.437 0.945 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.863 -1.144 0.140 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.350 0.555 1.939 1.00 0.00 C ATOM 0 H VAL A 12 -1.274 1.276 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.494 -0.534 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.493 -1.194 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.164 -1.628 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.317 -1.894 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.329 -0.414 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.642 0.036 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.834 1.346 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.143 0.991 2.547 1.00 0.00 H new ATOM 181 N VAL A 13 -3.542 2.231 1.271 1.00 0.00 N ATOM 182 CA VAL A 13 -4.416 3.123 2.013 1.00 0.00 C ATOM 183 C VAL A 13 -5.566 3.572 1.109 1.00 0.00 C ATOM 184 O VAL A 13 -6.733 3.353 1.427 1.00 0.00 O ATOM 185 CB VAL A 13 -3.610 4.292 2.582 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.565 3.801 3.585 1.00 0.00 C ATOM 187 CG2 VAL A 13 -2.957 5.104 1.461 1.00 0.00 C ATOM 0 H VAL A 13 -2.581 2.560 1.173 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.856 2.605 2.865 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.300 4.948 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.006 4.652 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.063 3.287 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.880 3.113 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.390 5.929 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.286 4.462 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.729 5.500 0.801 1.00 0.00 H new ATOM 197 N LYS A 14 -5.194 4.195 -0.001 1.00 0.00 N ATOM 198 CA LYS A 14 -6.180 4.678 -0.953 1.00 0.00 C ATOM 199 C LYS A 14 -7.254 3.608 -1.155 1.00 0.00 C ATOM 200 O LYS A 14 -8.418 3.929 -1.398 1.00 0.00 O ATOM 201 CB LYS A 14 -5.499 5.118 -2.250 1.00 0.00 C ATOM 202 CG LYS A 14 -6.531 5.592 -3.277 1.00 0.00 C ATOM 203 CD LYS A 14 -5.963 5.527 -4.696 1.00 0.00 C ATOM 204 CE LYS A 14 -6.971 4.905 -5.664 1.00 0.00 C ATOM 205 NZ LYS A 14 -7.982 5.906 -6.073 1.00 0.00 N ATOM 0 H LYS A 14 -4.225 4.376 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.682 5.565 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.794 5.922 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.924 4.289 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.426 4.973 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.833 6.614 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.702 6.530 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.044 4.941 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.452 4.523 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.463 4.055 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.659 5.468 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.489 6.251 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.510 6.704 -6.544 1.00 0.00 H new ATOM 219 N LYS A 15 -6.829 2.359 -1.047 1.00 0.00 N ATOM 220 CA LYS A 15 -7.740 1.239 -1.214 1.00 0.00 C ATOM 221 C LYS A 15 -8.503 1.009 0.092 1.00 0.00 C ATOM 222 O LYS A 15 -9.701 0.730 0.074 1.00 0.00 O ATOM 223 CB LYS A 15 -6.986 0.004 -1.713 1.00 0.00 C ATOM 224 CG LYS A 15 -6.522 0.192 -3.159 1.00 0.00 C ATOM 225 CD LYS A 15 -7.712 0.199 -4.120 1.00 0.00 C ATOM 226 CE LYS A 15 -7.242 0.239 -5.575 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.387 0.060 -6.496 1.00 0.00 N ATOM 0 H LYS A 15 -5.864 2.097 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.481 1.462 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.124 -0.184 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.631 -0.872 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.972 1.129 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.835 -0.609 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.322 -0.689 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.345 1.063 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.750 1.190 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.504 -0.545 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.053 -0.359 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.089 -0.571 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.824 0.983 -6.690 1.00 0.00 H new ATOM 241 N TYR A 16 -7.777 1.132 1.193 1.00 0.00 N ATOM 242 CA TYR A 16 -8.370 0.941 2.506 1.00 0.00 C ATOM 243 C TYR A 16 -9.281 2.114 2.872 1.00 0.00 C ATOM 244 O TYR A 16 -10.496 1.951 2.980 1.00 0.00 O ATOM 245 CB TYR A 16 -7.202 0.888 3.493 1.00 0.00 C ATOM 246 CG TYR A 16 -7.628 0.921 4.963 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.937 0.654 5.308 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.702 1.217 5.943 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.338 0.684 6.691 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.103 1.248 7.326 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.400 0.981 7.631 1.00 0.00 C ATOM 252 OH TYR A 16 -8.779 1.009 8.937 1.00 0.00 O ATOM 0 H TYR A 16 -6.783 1.362 1.203 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.975 0.034 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.628 -0.020 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.537 1.730 3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.661 0.422 4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.677 1.425 5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.359 0.476 6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.389 1.478 8.103 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.378 1.787 9.377 1.00 0.00 H new ATOM 262 N GLU A 17 -8.659 3.270 3.054 1.00 0.00 N ATOM 263 CA GLU A 17 -9.398 4.470 3.407 1.00 0.00 C ATOM 264 C GLU A 17 -10.627 4.619 2.508 1.00 0.00 C ATOM 265 O GLU A 17 -11.690 5.034 2.967 1.00 0.00 O ATOM 266 CB GLU A 17 -8.504 5.708 3.324 1.00 0.00 C ATOM 267 CG GLU A 17 -7.623 5.833 4.568 1.00 0.00 C ATOM 268 CD GLU A 17 -8.472 6.046 5.823 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.871 5.022 6.419 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.703 7.228 6.158 1.00 0.00 O ATOM 0 H GLU A 17 -7.651 3.401 2.964 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.736 4.376 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.877 5.649 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.121 6.600 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.019 4.933 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.932 6.667 4.446 1.00 0.00 H new ATOM 278 N GLY A 18 -10.441 4.273 1.242 1.00 0.00 N ATOM 279 CA GLY A 18 -11.521 4.363 0.274 1.00 0.00 C ATOM 280 C GLY A 18 -12.036 2.974 -0.104 1.00 0.00 C ATOM 281 O GLY A 18 -12.384 2.730 -1.259 1.00 0.00 O ATOM 0 H GLY A 18 -9.558 3.930 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.336 4.957 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.171 4.880 -0.619 1.00 0.00 H new ATOM 285 N SER A 19 -12.069 2.099 0.891 1.00 0.00 N ATOM 286 CA SER A 19 -12.536 0.740 0.676 1.00 0.00 C ATOM 287 C SER A 19 -14.053 0.673 0.860 1.00 0.00 C ATOM 288 O SER A 19 -14.774 0.254 -0.045 1.00 0.00 O ATOM 289 CB SER A 19 -11.842 -0.238 1.628 1.00 0.00 C ATOM 290 OG SER A 19 -11.767 -1.551 1.082 1.00 0.00 O ATOM 0 H SER A 19 -11.780 2.305 1.847 1.00 0.00 H new ATOM 0 HA SER A 19 -12.287 0.450 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.837 0.121 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.383 -0.269 2.574 1.00 0.00 H new ATOM 0 HG SER A 19 -11.769 -2.208 1.809 1.00 0.00 H new ATOM 296 N ALA A 20 -14.494 1.092 2.037 1.00 0.00 N ATOM 297 CA ALA A 20 -15.912 1.084 2.351 1.00 0.00 C ATOM 298 C ALA A 20 -16.329 -0.325 2.777 1.00 0.00 C ATOM 299 O ALA A 20 -17.487 -0.558 3.120 1.00 0.00 O ATOM 300 CB ALA A 20 -16.706 1.587 1.143 1.00 0.00 C ATOM 0 H ALA A 20 -13.894 1.439 2.785 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.124 1.756 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.770 1.581 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.394 2.603 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.520 0.936 0.289 1.00 0.00 H new ATOM 306 N ASP A 21 -15.362 -1.230 2.739 1.00 0.00 N ATOM 307 CA ASP A 21 -15.614 -2.611 3.116 1.00 0.00 C ATOM 308 C ASP A 21 -14.871 -2.923 4.416 1.00 0.00 C ATOM 309 O ASP A 21 -15.160 -3.920 5.077 1.00 0.00 O ATOM 310 CB ASP A 21 -15.111 -3.576 2.041 1.00 0.00 C ATOM 311 CG ASP A 21 -13.596 -3.790 2.021 1.00 0.00 C ATOM 312 OD1 ASP A 21 -12.899 -2.972 2.660 1.00 0.00 O ATOM 313 OD2 ASP A 21 -13.169 -4.765 1.367 1.00 0.00 O ATOM 0 H ASP A 21 -14.403 -1.034 2.453 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.690 -2.736 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.597 -4.541 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.423 -3.204 1.065 1.00 0.00 H new ATOM 319 N LYS A 22 -13.927 -2.053 4.746 1.00 0.00 N ATOM 320 CA LYS A 22 -13.141 -2.223 5.956 1.00 0.00 C ATOM 321 C LYS A 22 -12.568 -3.642 5.991 1.00 0.00 C ATOM 322 O LYS A 22 -12.798 -4.385 6.944 1.00 0.00 O ATOM 323 CB LYS A 22 -13.972 -1.866 7.190 1.00 0.00 C ATOM 324 CG LYS A 22 -14.764 -0.576 6.962 1.00 0.00 C ATOM 325 CD LYS A 22 -13.827 0.625 6.821 1.00 0.00 C ATOM 326 CE LYS A 22 -13.967 1.573 8.014 1.00 0.00 C ATOM 327 NZ LYS A 22 -12.672 2.223 8.315 1.00 0.00 N ATOM 0 H LYS A 22 -13.689 -1.228 4.196 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.295 -1.536 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.657 -2.682 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.316 -1.747 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.374 -0.673 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.448 -0.413 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.796 0.279 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.052 1.160 5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.719 2.331 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.314 1.020 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.785 2.863 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.964 1.496 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.356 2.767 7.487 1.00 0.00 H new ATOM 341 N ASP A 23 -11.833 -3.974 4.940 1.00 0.00 N ATOM 342 CA ASP A 23 -11.225 -5.290 4.838 1.00 0.00 C ATOM 343 C ASP A 23 -9.819 -5.154 4.252 1.00 0.00 C ATOM 344 O ASP A 23 -9.661 -4.785 3.089 1.00 0.00 O ATOM 345 CB ASP A 23 -12.036 -6.202 3.914 1.00 0.00 C ATOM 346 CG ASP A 23 -12.812 -7.315 4.622 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.147 -8.276 5.067 1.00 0.00 O ATOM 348 OD2 ASP A 23 -14.052 -7.179 4.703 1.00 0.00 O ATOM 0 H ASP A 23 -11.645 -3.355 4.152 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.194 -5.725 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.741 -5.590 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.359 -6.656 3.190 1.00 0.00 H new ATOM 354 N ALA A 24 -8.834 -5.459 5.083 1.00 0.00 N ATOM 355 CA ALA A 24 -7.446 -5.375 4.662 1.00 0.00 C ATOM 356 C ALA A 24 -7.156 -6.485 3.649 1.00 0.00 C ATOM 357 O ALA A 24 -6.065 -6.545 3.083 1.00 0.00 O ATOM 358 CB ALA A 24 -6.534 -5.454 5.888 1.00 0.00 C ATOM 0 H ALA A 24 -8.969 -5.765 6.047 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.252 -4.421 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.493 -5.391 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.759 -4.628 6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.700 -6.400 6.404 1.00 0.00 H new ATOM 364 N ASN A 25 -8.153 -7.334 3.450 1.00 0.00 N ATOM 365 CA ASN A 25 -8.020 -8.439 2.515 1.00 0.00 C ATOM 366 C ASN A 25 -8.328 -7.943 1.100 1.00 0.00 C ATOM 367 O ASN A 25 -7.546 -8.164 0.177 1.00 0.00 O ATOM 368 CB ASN A 25 -9.003 -9.563 2.846 1.00 0.00 C ATOM 369 CG ASN A 25 -8.358 -10.935 2.634 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.177 -11.057 2.355 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.198 -11.955 2.781 1.00 0.00 N ATOM 0 H ASN A 25 -9.057 -7.279 3.920 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.001 -8.820 2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.334 -9.469 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.889 -9.473 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.865 -12.911 2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.175 -11.781 3.015 1.00 0.00 H new ATOM 378 N VAL A 26 -9.469 -7.281 0.975 1.00 0.00 N ATOM 379 CA VAL A 26 -9.890 -6.754 -0.311 1.00 0.00 C ATOM 380 C VAL A 26 -9.081 -5.495 -0.631 1.00 0.00 C ATOM 381 O VAL A 26 -9.122 -4.994 -1.754 1.00 0.00 O ATOM 382 CB VAL A 26 -11.400 -6.507 -0.307 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.971 -6.579 -1.725 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.114 -7.492 0.621 1.00 0.00 C ATOM 0 H VAL A 26 -10.114 -7.098 1.743 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.694 -7.478 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.574 -5.501 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.046 -6.400 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.495 -5.822 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.780 -7.567 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.186 -7.295 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.928 -8.511 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.738 -7.373 1.637 1.00 0.00 H new ATOM 394 N ILE A 27 -8.363 -5.020 0.377 1.00 0.00 N ATOM 395 CA ILE A 27 -7.544 -3.830 0.218 1.00 0.00 C ATOM 396 C ILE A 27 -6.178 -4.227 -0.344 1.00 0.00 C ATOM 397 O ILE A 27 -5.899 -4.007 -1.521 1.00 0.00 O ATOM 398 CB ILE A 27 -7.467 -3.054 1.534 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.825 -2.450 1.895 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.364 -1.994 1.481 1.00 0.00 C ATOM 401 CD1 ILE A 27 -8.891 -2.098 3.383 1.00 0.00 C ATOM 0 H ILE A 27 -8.332 -5.438 1.307 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.998 -3.148 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.205 -3.753 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.999 -1.555 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.618 -3.156 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.330 -1.456 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.403 -2.477 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.572 -1.292 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.867 -1.670 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.741 -2.999 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.112 -1.373 3.620 1.00 0.00 H new ATOM 413 N LYS A 28 -5.362 -4.806 0.525 1.00 0.00 N ATOM 414 CA LYS A 28 -4.032 -5.236 0.130 1.00 0.00 C ATOM 415 C LYS A 28 -4.101 -5.895 -1.249 1.00 0.00 C ATOM 416 O LYS A 28 -3.189 -5.743 -2.061 1.00 0.00 O ATOM 417 CB LYS A 28 -3.416 -6.131 1.208 1.00 0.00 C ATOM 418 CG LYS A 28 -3.696 -7.607 0.921 1.00 0.00 C ATOM 419 CD LYS A 28 -2.978 -8.507 1.929 1.00 0.00 C ATOM 420 CE LYS A 28 -3.567 -8.338 3.331 1.00 0.00 C ATOM 421 NZ LYS A 28 -4.613 -9.355 3.580 1.00 0.00 N ATOM 0 H LYS A 28 -5.597 -4.987 1.501 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.366 -4.378 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.340 -5.963 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.822 -5.863 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.769 -7.792 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.369 -7.853 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.063 -9.548 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.915 -8.265 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.778 -8.430 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.990 -7.339 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.374 -8.938 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.003 -9.681 2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.199 -10.162 4.089 1.00 0.00 H new ATOM 435 N LYS A 29 -5.192 -6.612 -1.473 1.00 0.00 N ATOM 436 CA LYS A 29 -5.393 -7.294 -2.740 1.00 0.00 C ATOM 437 C LYS A 29 -5.590 -6.257 -3.847 1.00 0.00 C ATOM 438 O LYS A 29 -4.971 -6.350 -4.906 1.00 0.00 O ATOM 439 CB LYS A 29 -6.539 -8.302 -2.631 1.00 0.00 C ATOM 440 CG LYS A 29 -6.042 -9.643 -2.088 1.00 0.00 C ATOM 441 CD LYS A 29 -7.206 -10.501 -1.591 1.00 0.00 C ATOM 442 CE LYS A 29 -8.395 -10.421 -2.551 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.047 -11.025 -3.856 1.00 0.00 N ATOM 0 H LYS A 29 -5.947 -6.736 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.510 -7.877 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.315 -7.906 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.993 -8.449 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.500 -10.177 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.339 -9.471 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.883 -11.537 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.511 -10.167 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.253 -10.938 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.688 -9.380 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.108 -10.302 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.078 -11.401 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.710 -11.798 -4.069 1.00 0.00 H new ATOM 457 N ASP A 30 -6.454 -5.293 -3.565 1.00 0.00 N ATOM 458 CA ASP A 30 -6.739 -4.240 -4.523 1.00 0.00 C ATOM 459 C ASP A 30 -5.433 -3.551 -4.923 1.00 0.00 C ATOM 460 O ASP A 30 -5.174 -3.341 -6.107 1.00 0.00 O ATOM 461 CB ASP A 30 -7.666 -3.182 -3.920 1.00 0.00 C ATOM 462 CG ASP A 30 -8.944 -2.911 -4.717 1.00 0.00 C ATOM 463 OD1 ASP A 30 -8.921 -3.186 -5.936 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.915 -2.437 -4.088 1.00 0.00 O ATOM 0 H ASP A 30 -6.966 -5.220 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.224 -4.694 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.943 -3.495 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.112 -2.248 -3.822 1.00 0.00 H new ATOM 470 N PHE A 31 -4.644 -3.217 -3.911 1.00 0.00 N ATOM 471 CA PHE A 31 -3.371 -2.557 -4.142 1.00 0.00 C ATOM 472 C PHE A 31 -2.595 -3.240 -5.270 1.00 0.00 C ATOM 473 O PHE A 31 -2.202 -2.592 -6.238 1.00 0.00 O ATOM 474 CB PHE A 31 -2.567 -2.671 -2.845 1.00 0.00 C ATOM 475 CG PHE A 31 -1.066 -2.429 -3.020 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.260 -3.438 -3.445 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.538 -1.205 -2.752 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.133 -3.214 -3.607 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.854 -0.980 -2.913 1.00 0.00 C ATOM 480 CZ PHE A 31 1.661 -1.990 -3.338 1.00 0.00 C ATOM 0 H PHE A 31 -4.862 -3.391 -2.930 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.537 -1.519 -4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.958 -1.955 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.718 -3.664 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.679 -4.410 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.179 -0.403 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.773 -4.016 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.273 -0.008 -2.698 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.720 -1.820 -3.462 1.00 0.00 H new ATOM 490 N ASP A 32 -2.399 -4.540 -5.108 1.00 0.00 N ATOM 491 CA ASP A 32 -1.677 -5.318 -6.101 1.00 0.00 C ATOM 492 C ASP A 32 -2.380 -5.188 -7.453 1.00 0.00 C ATOM 493 O ASP A 32 -1.760 -5.370 -8.500 1.00 0.00 O ATOM 494 CB ASP A 32 -1.647 -6.800 -5.723 1.00 0.00 C ATOM 495 CG ASP A 32 -0.259 -7.358 -5.405 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.498 -6.638 -4.717 1.00 0.00 O ATOM 497 OD2 ASP A 32 0.014 -8.493 -5.854 1.00 0.00 O ATOM 0 H ASP A 32 -2.728 -5.075 -4.304 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.657 -4.938 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.290 -6.951 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.075 -7.377 -6.542 1.00 0.00 H new ATOM 503 N ALA A 33 -3.665 -4.873 -7.388 1.00 0.00 N ATOM 504 CA ALA A 33 -4.460 -4.718 -8.595 1.00 0.00 C ATOM 505 C ALA A 33 -3.974 -3.487 -9.364 1.00 0.00 C ATOM 506 O ALA A 33 -3.321 -3.614 -10.398 1.00 0.00 O ATOM 507 CB ALA A 33 -5.941 -4.626 -8.223 1.00 0.00 C ATOM 0 H ALA A 33 -4.176 -4.721 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.342 -5.583 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.537 -4.510 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.243 -5.536 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.100 -3.767 -7.571 1.00 0.00 H new ATOM 513 N GLU A 34 -4.312 -2.323 -8.828 1.00 0.00 N ATOM 514 CA GLU A 34 -3.919 -1.071 -9.451 1.00 0.00 C ATOM 515 C GLU A 34 -2.409 -1.051 -9.699 1.00 0.00 C ATOM 516 O GLU A 34 -1.939 -0.414 -10.639 1.00 0.00 O ATOM 517 CB GLU A 34 -4.350 0.125 -8.599 1.00 0.00 C ATOM 518 CG GLU A 34 -4.080 1.443 -9.326 1.00 0.00 C ATOM 519 CD GLU A 34 -4.739 1.451 -10.707 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.171 0.803 -11.612 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.797 2.107 -10.828 1.00 0.00 O ATOM 0 H GLU A 34 -4.853 -2.221 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.426 -0.992 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.412 0.046 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.813 0.112 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.460 2.275 -8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.005 1.591 -9.431 1.00 0.00 H new ATOM 529 N CYS A 35 -1.692 -1.759 -8.838 1.00 0.00 N ATOM 530 CA CYS A 35 -0.245 -1.832 -8.951 1.00 0.00 C ATOM 531 C CYS A 35 0.098 -2.597 -10.231 1.00 0.00 C ATOM 532 O CYS A 35 0.837 -2.097 -11.078 1.00 0.00 O ATOM 533 CB CYS A 35 0.388 -2.474 -7.715 1.00 0.00 C ATOM 534 SG CYS A 35 2.012 -3.263 -8.007 1.00 0.00 S ATOM 0 H CYS A 35 -2.086 -2.287 -8.059 1.00 0.00 H new ATOM 0 HA CYS A 35 0.169 -0.825 -9.008 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.504 -1.711 -6.946 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.298 -3.223 -7.320 1.00 0.00 H new ATOM 539 N LYS A 36 -0.454 -3.797 -10.332 1.00 0.00 N ATOM 540 CA LYS A 36 -0.215 -4.636 -11.493 1.00 0.00 C ATOM 541 C LYS A 36 -0.477 -3.825 -12.765 1.00 0.00 C ATOM 542 O LYS A 36 -0.042 -4.208 -13.849 1.00 0.00 O ATOM 543 CB LYS A 36 -1.039 -5.922 -11.404 1.00 0.00 C ATOM 544 CG LYS A 36 -0.406 -6.910 -10.422 1.00 0.00 C ATOM 545 CD LYS A 36 0.862 -7.533 -11.012 1.00 0.00 C ATOM 546 CE LYS A 36 0.531 -8.798 -11.807 1.00 0.00 C ATOM 547 NZ LYS A 36 0.114 -9.888 -10.898 1.00 0.00 N ATOM 0 H LYS A 36 -1.067 -4.208 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 36 0.827 -4.954 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.054 -5.687 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.113 -6.380 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.165 -6.398 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.122 -7.695 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.359 -6.811 -11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.560 -7.775 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.265 -8.588 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.402 -9.110 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.267 -10.806 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.675 -9.845 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.894 -9.781 -10.668 1.00 0.00 H new ATOM 561 N LYS A 37 -1.188 -2.721 -12.588 1.00 0.00 N ATOM 562 CA LYS A 37 -1.513 -1.854 -13.708 1.00 0.00 C ATOM 563 C LYS A 37 -0.586 -0.636 -13.690 1.00 0.00 C ATOM 564 O LYS A 37 0.262 -0.484 -14.567 1.00 0.00 O ATOM 565 CB LYS A 37 -2.999 -1.495 -13.693 1.00 0.00 C ATOM 566 CG LYS A 37 -3.864 -2.744 -13.513 1.00 0.00 C ATOM 567 CD LYS A 37 -5.349 -2.411 -13.666 1.00 0.00 C ATOM 568 CE LYS A 37 -5.712 -2.188 -15.136 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.078 -3.469 -15.779 1.00 0.00 N ATOM 0 H LYS A 37 -1.548 -2.407 -11.687 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.343 -2.371 -14.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.198 -0.791 -12.885 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.265 -0.995 -14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.579 -3.497 -14.248 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.684 -3.176 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.951 -3.223 -13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.586 -1.517 -13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.543 -1.487 -15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.869 -1.739 -15.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.321 -3.300 -16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.274 -4.126 -15.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.896 -3.882 -15.288 1.00 0.00 H new ATOM 583 N LEU A 38 -0.780 0.200 -12.681 1.00 0.00 N ATOM 584 CA LEU A 38 0.029 1.400 -12.537 1.00 0.00 C ATOM 585 C LEU A 38 1.509 1.016 -12.546 1.00 0.00 C ATOM 586 O LEU A 38 2.294 1.572 -13.314 1.00 0.00 O ATOM 587 CB LEU A 38 -0.396 2.186 -11.294 1.00 0.00 C ATOM 588 CG LEU A 38 0.725 2.561 -10.324 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.533 3.748 -10.851 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.172 2.822 -8.921 1.00 0.00 C ATOM 0 H LEU A 38 -1.485 0.071 -11.955 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.131 2.071 -13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.890 3.102 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.137 1.598 -10.752 1.00 0.00 H new ATOM 0 HG LEU A 38 1.408 1.715 -10.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.323 3.994 -10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.976 3.488 -11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.876 4.609 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.990 3.087 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.545 3.642 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.323 1.924 -8.552 1.00 0.00 H new ATOM 602 N PHE A 39 1.847 0.067 -11.685 1.00 0.00 N ATOM 603 CA PHE A 39 3.220 -0.397 -11.585 1.00 0.00 C ATOM 604 C PHE A 39 3.484 -1.543 -12.563 1.00 0.00 C ATOM 605 O PHE A 39 4.227 -2.472 -12.251 1.00 0.00 O ATOM 606 CB PHE A 39 3.416 -0.907 -10.156 1.00 0.00 C ATOM 607 CG PHE A 39 3.435 0.198 -9.097 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.318 1.227 -9.206 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.571 0.150 -8.049 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.335 2.253 -8.223 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.589 1.175 -7.066 1.00 0.00 C ATOM 612 CZ PHE A 39 3.470 2.205 -7.175 1.00 0.00 C ATOM 0 H PHE A 39 1.194 -0.393 -11.051 1.00 0.00 H new ATOM 0 HA PHE A 39 3.906 0.415 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.617 -1.609 -9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.353 -1.461 -10.104 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.005 1.264 -10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.871 -0.668 -7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.035 3.071 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.903 1.136 -6.232 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.483 2.986 -6.429 1.00 0.00 H new ATOM 622 N HIS A 40 2.862 -1.439 -13.728 1.00 0.00 N ATOM 623 CA HIS A 40 3.021 -2.455 -14.755 1.00 0.00 C ATOM 624 C HIS A 40 4.179 -2.074 -15.679 1.00 0.00 C ATOM 625 O HIS A 40 3.961 -1.710 -16.835 1.00 0.00 O ATOM 626 CB HIS A 40 1.708 -2.676 -15.509 1.00 0.00 C ATOM 627 CG HIS A 40 1.602 -4.026 -16.177 1.00 0.00 C ATOM 628 ND1 HIS A 40 0.420 -4.741 -16.238 1.00 0.00 N ATOM 629 CD2 HIS A 40 2.543 -4.782 -16.812 1.00 0.00 C ATOM 630 CE1 HIS A 40 0.650 -5.875 -16.882 1.00 0.00 C ATOM 631 NE2 HIS A 40 1.967 -5.900 -17.236 1.00 0.00 N ATOM 0 H HIS A 40 2.247 -0.667 -13.984 1.00 0.00 H new ATOM 0 HA HIS A 40 3.271 -3.409 -14.292 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.877 -2.561 -14.813 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.600 -1.899 -16.265 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.477 -4.445 -15.852 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.581 -4.516 -16.947 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.078 -6.645 -17.090 1.00 0.00 H new ATOM 640 N THR A 41 5.384 -2.169 -15.138 1.00 0.00 N ATOM 641 CA THR A 41 6.576 -1.839 -15.899 1.00 0.00 C ATOM 642 C THR A 41 7.774 -1.660 -14.965 1.00 0.00 C ATOM 643 O THR A 41 8.881 -2.095 -15.278 1.00 0.00 O ATOM 644 CB THR A 41 6.270 -0.598 -16.740 1.00 0.00 C ATOM 645 OG1 THR A 41 7.532 0.052 -16.871 1.00 0.00 O ATOM 646 CG2 THR A 41 5.405 0.417 -15.993 1.00 0.00 C ATOM 0 H THR A 41 5.561 -2.470 -14.180 1.00 0.00 H new ATOM 0 HA THR A 41 6.851 -2.649 -16.575 1.00 0.00 H new ATOM 0 HB THR A 41 5.766 -0.898 -17.659 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.426 0.867 -17.405 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.218 1.278 -16.635 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.456 -0.045 -15.720 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.923 0.743 -15.091 1.00 0.00 H new ATOM 654 N ILE A 42 7.511 -1.019 -13.835 1.00 0.00 N ATOM 655 CA ILE A 42 8.555 -0.777 -12.852 1.00 0.00 C ATOM 656 C ILE A 42 9.448 -2.015 -12.748 1.00 0.00 C ATOM 657 O ILE A 42 8.965 -3.143 -12.834 1.00 0.00 O ATOM 658 CB ILE A 42 7.943 -0.347 -11.518 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.192 0.978 -11.661 1.00 0.00 C ATOM 660 CG2 ILE A 42 9.009 -0.286 -10.420 1.00 0.00 C ATOM 661 CD1 ILE A 42 8.090 2.054 -12.275 1.00 0.00 C ATOM 0 H ILE A 42 6.591 -0.660 -13.578 1.00 0.00 H new ATOM 0 HA ILE A 42 9.191 0.050 -13.167 1.00 0.00 H new ATOM 0 HB ILE A 42 7.214 -1.100 -11.218 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.311 0.835 -12.286 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.840 1.308 -10.684 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.548 0.022 -9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.461 -1.270 -10.296 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.778 0.434 -10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.532 2.986 -12.366 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.958 2.212 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.421 1.732 -13.262 1.00 0.00 H new ATOM 673 N PRO A 43 10.770 -1.755 -12.561 1.00 0.00 N ATOM 674 CA PRO A 43 11.735 -2.834 -12.444 1.00 0.00 C ATOM 675 C PRO A 43 11.638 -3.511 -11.076 1.00 0.00 C ATOM 676 O PRO A 43 12.614 -4.082 -10.591 1.00 0.00 O ATOM 677 CB PRO A 43 13.087 -2.181 -12.689 1.00 0.00 C ATOM 678 CG PRO A 43 12.874 -0.692 -12.473 1.00 0.00 C ATOM 679 CD PRO A 43 11.378 -0.432 -12.454 1.00 0.00 C ATOM 0 HA PRO A 43 11.558 -3.636 -13.161 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.840 -2.572 -12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.441 -2.383 -13.700 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.328 -0.374 -11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.351 -0.119 -13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.075 0.070 -11.535 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.077 0.210 -13.282 1.00 0.00 H new ATOM 687 N PHE A 44 10.452 -3.426 -10.491 1.00 0.00 N ATOM 688 CA PHE A 44 10.215 -4.024 -9.188 1.00 0.00 C ATOM 689 C PHE A 44 8.959 -3.440 -8.538 1.00 0.00 C ATOM 690 O PHE A 44 8.937 -3.193 -7.333 1.00 0.00 O ATOM 691 CB PHE A 44 11.428 -3.691 -8.316 1.00 0.00 C ATOM 692 CG PHE A 44 12.033 -2.313 -8.591 1.00 0.00 C ATOM 693 CD1 PHE A 44 11.242 -1.206 -8.565 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.360 -2.195 -8.861 1.00 0.00 C ATOM 695 CE1 PHE A 44 11.804 0.073 -8.821 1.00 0.00 C ATOM 696 CE2 PHE A 44 13.921 -0.915 -9.116 1.00 0.00 C ATOM 697 CZ PHE A 44 13.131 0.192 -9.090 1.00 0.00 C ATOM 0 H PHE A 44 9.645 -2.952 -10.896 1.00 0.00 H new ATOM 0 HA PHE A 44 10.072 -5.100 -9.292 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.135 -3.745 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.194 -4.450 -8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.188 -1.300 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.987 -3.074 -8.882 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.176 0.952 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.975 -0.821 -9.331 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.558 1.165 -9.283 1.00 0.00 H new ATOM 707 N GLY A 45 7.943 -3.237 -9.364 1.00 0.00 N ATOM 708 CA GLY A 45 6.687 -2.688 -8.885 1.00 0.00 C ATOM 709 C GLY A 45 5.689 -3.802 -8.560 1.00 0.00 C ATOM 710 O GLY A 45 5.276 -3.955 -7.412 1.00 0.00 O ATOM 0 H GLY A 45 7.965 -3.443 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.866 -2.084 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.264 -2.025 -9.640 1.00 0.00 H new ATOM 714 N THR A 46 5.332 -4.552 -9.593 1.00 0.00 N ATOM 715 CA THR A 46 4.391 -5.648 -9.432 1.00 0.00 C ATOM 716 C THR A 46 4.953 -6.697 -8.472 1.00 0.00 C ATOM 717 O THR A 46 4.199 -7.374 -7.775 1.00 0.00 O ATOM 718 CB THR A 46 4.072 -6.204 -10.821 1.00 0.00 C ATOM 719 OG1 THR A 46 5.282 -6.834 -11.229 1.00 0.00 O ATOM 720 CG2 THR A 46 3.856 -5.101 -11.859 1.00 0.00 C ATOM 0 H THR A 46 5.677 -4.422 -10.544 1.00 0.00 H new ATOM 0 HA THR A 46 3.459 -5.307 -8.980 1.00 0.00 H new ATOM 0 HB THR A 46 3.180 -6.828 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.163 -7.224 -12.120 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.633 -5.551 -12.827 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.022 -4.470 -11.551 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.759 -4.496 -11.940 1.00 0.00 H new ATOM 728 N ARG A 47 6.275 -6.799 -8.465 1.00 0.00 N ATOM 729 CA ARG A 47 6.947 -7.754 -7.602 1.00 0.00 C ATOM 730 C ARG A 47 6.871 -7.298 -6.143 1.00 0.00 C ATOM 731 O ARG A 47 6.211 -7.935 -5.323 1.00 0.00 O ATOM 732 CB ARG A 47 8.415 -7.919 -8.000 1.00 0.00 C ATOM 733 CG ARG A 47 8.548 -8.188 -9.501 1.00 0.00 C ATOM 734 CD ARG A 47 7.917 -9.530 -9.876 1.00 0.00 C ATOM 735 NE ARG A 47 7.833 -9.656 -11.349 1.00 0.00 N ATOM 736 CZ ARG A 47 7.334 -10.725 -11.984 1.00 0.00 C ATOM 737 NH1 ARG A 47 6.872 -11.767 -11.281 1.00 0.00 N ATOM 738 NH2 ARG A 47 7.297 -10.751 -13.324 1.00 0.00 N ATOM 0 H ARG A 47 6.898 -6.235 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 47 6.441 -8.713 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.970 -7.019 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.858 -8.742 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.067 -7.387 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.601 -8.186 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.510 -10.347 -9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.922 -9.608 -9.439 1.00 0.00 H new ATOM 0 HE ARG A 47 8.176 -8.881 -11.916 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.900 -11.747 -10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.492 -12.581 -11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.649 -9.957 -13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.917 -11.565 -13.808 1.00 0.00 H new ATOM 752 N GLU A 48 7.554 -6.197 -5.864 1.00 0.00 N ATOM 753 CA GLU A 48 7.573 -5.648 -4.520 1.00 0.00 C ATOM 754 C GLU A 48 6.144 -5.474 -3.998 1.00 0.00 C ATOM 755 O GLU A 48 5.912 -5.506 -2.790 1.00 0.00 O ATOM 756 CB GLU A 48 8.336 -4.323 -4.478 1.00 0.00 C ATOM 757 CG GLU A 48 9.215 -4.235 -3.230 1.00 0.00 C ATOM 758 CD GLU A 48 8.472 -4.759 -1.998 1.00 0.00 C ATOM 759 OE1 GLU A 48 7.629 -3.999 -1.478 1.00 0.00 O ATOM 760 OE2 GLU A 48 8.766 -5.910 -1.606 1.00 0.00 O ATOM 0 H GLU A 48 8.099 -5.671 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 48 8.095 -6.350 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.955 -4.227 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.630 -3.492 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.127 -4.812 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.516 -3.200 -3.065 1.00 0.00 H new ATOM 768 N CYS A 49 5.225 -5.293 -4.934 1.00 0.00 N ATOM 769 CA CYS A 49 3.826 -5.114 -4.585 1.00 0.00 C ATOM 770 C CYS A 49 3.342 -6.380 -3.874 1.00 0.00 C ATOM 771 O CYS A 49 2.827 -6.311 -2.759 1.00 0.00 O ATOM 772 CB CYS A 49 2.973 -4.788 -5.813 1.00 0.00 C ATOM 773 SG CYS A 49 2.833 -3.005 -6.198 1.00 0.00 S ATOM 0 H CYS A 49 5.422 -5.266 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 49 3.723 -4.260 -3.915 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.395 -5.300 -6.678 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.972 -5.192 -5.661 1.00 0.00 H new ATOM 778 N ASP A 50 3.525 -7.505 -4.549 1.00 0.00 N ATOM 779 CA ASP A 50 3.114 -8.785 -3.995 1.00 0.00 C ATOM 780 C ASP A 50 3.811 -9.001 -2.651 1.00 0.00 C ATOM 781 O ASP A 50 3.389 -9.842 -1.857 1.00 0.00 O ATOM 782 CB ASP A 50 3.505 -9.937 -4.923 1.00 0.00 C ATOM 783 CG ASP A 50 3.082 -11.327 -4.442 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.890 -11.466 -4.092 1.00 0.00 O ATOM 785 OD2 ASP A 50 3.960 -12.216 -4.436 1.00 0.00 O ATOM 0 H ASP A 50 3.952 -7.558 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 50 2.031 -8.770 -3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.065 -9.759 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.587 -9.928 -5.053 1.00 0.00 H new ATOM 791 N HIS A 51 4.867 -8.230 -2.436 1.00 0.00 N ATOM 792 CA HIS A 51 5.626 -8.328 -1.202 1.00 0.00 C ATOM 793 C HIS A 51 5.303 -7.131 -0.305 1.00 0.00 C ATOM 794 O HIS A 51 5.909 -6.961 0.752 1.00 0.00 O ATOM 795 CB HIS A 51 7.122 -8.463 -1.494 1.00 0.00 C ATOM 796 CG HIS A 51 7.702 -9.805 -1.115 1.00 0.00 C ATOM 797 ND1 HIS A 51 7.031 -10.998 -1.323 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.896 -10.130 -0.543 1.00 0.00 C ATOM 799 CE1 HIS A 51 7.795 -11.989 -0.890 1.00 0.00 C ATOM 800 NE2 HIS A 51 8.951 -11.449 -0.406 1.00 0.00 N ATOM 0 H HIS A 51 5.215 -7.535 -3.096 1.00 0.00 H new ATOM 0 HA HIS A 51 5.337 -9.230 -0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.291 -8.292 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.659 -7.681 -0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.667 -9.432 -0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.547 -13.040 -0.915 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.729 -11.973 -0.005 1.00 0.00 H new ATOM 809 N TYR A 52 4.350 -6.331 -0.760 1.00 0.00 N ATOM 810 CA TYR A 52 3.940 -5.155 -0.012 1.00 0.00 C ATOM 811 C TYR A 52 2.599 -5.392 0.688 1.00 0.00 C ATOM 812 O TYR A 52 2.477 -5.169 1.891 1.00 0.00 O ATOM 813 CB TYR A 52 3.773 -4.037 -1.042 1.00 0.00 C ATOM 814 CG TYR A 52 3.729 -2.632 -0.436 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.865 -2.091 0.131 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.554 -1.909 -0.455 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.823 -0.770 0.702 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.513 -0.588 0.116 1.00 0.00 C ATOM 819 CZ TYR A 52 3.650 -0.083 0.666 1.00 0.00 C ATOM 820 OH TYR A 52 3.611 1.164 1.206 1.00 0.00 O ATOM 0 H TYR A 52 3.850 -6.474 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 52 4.676 -4.911 0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.596 -4.088 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.854 -4.208 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.784 -2.658 0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.665 -2.334 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.704 -0.334 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.600 -0.011 0.108 1.00 0.00 H new ATOM 0 HH TYR A 52 4.267 1.736 0.756 1.00 0.00 H new ATOM 830 N VAL A 53 1.629 -5.838 -0.095 1.00 0.00 N ATOM 831 CA VAL A 53 0.303 -6.106 0.434 1.00 0.00 C ATOM 832 C VAL A 53 0.426 -6.968 1.692 1.00 0.00 C ATOM 833 O VAL A 53 -0.346 -6.806 2.636 1.00 0.00 O ATOM 834 CB VAL A 53 -0.572 -6.745 -0.646 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.548 -5.918 -1.933 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.144 -8.190 -0.914 1.00 0.00 C ATOM 0 H VAL A 53 1.735 -6.021 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.188 -5.177 0.723 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.598 -6.762 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.178 -6.395 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.923 -4.915 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.474 -5.854 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.782 -8.621 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.893 -8.206 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.238 -8.773 0.002 1.00 0.00 H new ATOM 846 N ASN A 54 1.401 -7.864 1.664 1.00 0.00 N ATOM 847 CA ASN A 54 1.635 -8.751 2.791 1.00 0.00 C ATOM 848 C ASN A 54 2.880 -8.287 3.549 1.00 0.00 C ATOM 849 O ASN A 54 3.602 -9.104 4.121 1.00 0.00 O ATOM 850 CB ASN A 54 1.874 -10.187 2.320 1.00 0.00 C ATOM 851 CG ASN A 54 0.558 -10.863 1.929 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.084 -10.755 0.809 1.00 0.00 O ATOM 853 ND2 ASN A 54 -0.003 -11.563 2.909 1.00 0.00 N ATOM 0 H ASN A 54 2.038 -7.995 0.879 1.00 0.00 H new ATOM 0 HA ASN A 54 0.753 -8.724 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.553 -10.185 1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.358 -10.757 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.884 -12.051 2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.447 -11.612 3.823 1.00 0.00 H new ATOM 860 N SER A 55 3.094 -6.981 3.529 1.00 0.00 N ATOM 861 CA SER A 55 4.240 -6.399 4.208 1.00 0.00 C ATOM 862 C SER A 55 4.173 -4.872 4.134 1.00 0.00 C ATOM 863 O SER A 55 4.555 -4.279 3.127 1.00 0.00 O ATOM 864 CB SER A 55 5.552 -6.903 3.604 1.00 0.00 C ATOM 865 OG SER A 55 5.364 -8.083 2.827 1.00 0.00 O ATOM 0 H SER A 55 2.493 -6.308 3.053 1.00 0.00 H new ATOM 0 HA SER A 55 4.211 -6.707 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.987 -6.123 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.265 -7.105 4.403 1.00 0.00 H new ATOM 0 HG SER A 55 5.826 -7.986 1.968 1.00 0.00 H new ATOM 871 N LYS A 56 3.684 -4.280 5.213 1.00 0.00 N ATOM 872 CA LYS A 56 3.562 -2.833 5.283 1.00 0.00 C ATOM 873 C LYS A 56 2.101 -2.438 5.062 1.00 0.00 C ATOM 874 O LYS A 56 1.766 -1.255 5.071 1.00 0.00 O ATOM 875 CB LYS A 56 4.535 -2.167 4.308 1.00 0.00 C ATOM 876 CG LYS A 56 5.958 -2.693 4.507 1.00 0.00 C ATOM 877 CD LYS A 56 6.829 -1.660 5.223 1.00 0.00 C ATOM 878 CE LYS A 56 8.179 -2.261 5.621 1.00 0.00 C ATOM 879 NZ LYS A 56 9.216 -1.209 5.688 1.00 0.00 N ATOM 0 H LYS A 56 3.367 -4.775 6.046 1.00 0.00 H new ATOM 0 HA LYS A 56 3.843 -2.473 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.214 -2.355 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.519 -1.087 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.931 -3.616 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.398 -2.937 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.988 -0.800 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.313 -1.297 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.092 -2.756 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.472 -3.023 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.125 -1.635 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.310 -0.755 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.943 -0.497 6.395 1.00 0.00 H new ATOM 893 N VAL A 57 1.270 -3.451 4.868 1.00 0.00 N ATOM 894 CA VAL A 57 -0.148 -3.225 4.644 1.00 0.00 C ATOM 895 C VAL A 57 -0.906 -3.429 5.956 1.00 0.00 C ATOM 896 O VAL A 57 -2.013 -2.918 6.124 1.00 0.00 O ATOM 897 CB VAL A 57 -0.651 -4.128 3.516 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.808 -5.007 3.994 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.057 -3.304 2.293 1.00 0.00 C ATOM 0 H VAL A 57 1.552 -4.431 4.861 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.325 -2.198 4.323 1.00 0.00 H new ATOM 0 HB VAL A 57 0.168 -4.783 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.147 -5.639 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.472 -5.634 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.630 -4.375 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.411 -3.970 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.854 -2.613 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.197 -2.741 1.932 1.00 0.00 H new ATOM 909 N ASP A 58 -0.281 -4.176 6.855 1.00 0.00 N ATOM 910 CA ASP A 58 -0.883 -4.453 8.147 1.00 0.00 C ATOM 911 C ASP A 58 -0.713 -3.234 9.057 1.00 0.00 C ATOM 912 O ASP A 58 -1.639 -2.855 9.770 1.00 0.00 O ATOM 913 CB ASP A 58 -0.205 -5.646 8.825 1.00 0.00 C ATOM 914 CG ASP A 58 -1.151 -6.585 9.577 1.00 0.00 C ATOM 915 OD1 ASP A 58 -2.316 -6.178 9.775 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.688 -7.690 9.934 1.00 0.00 O ATOM 0 H ASP A 58 0.637 -4.598 6.713 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.937 -4.679 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.327 -6.221 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.542 -5.271 9.524 1.00 0.00 H new ATOM 922 N PRO A 59 0.509 -2.640 8.998 1.00 0.00 N ATOM 923 CA PRO A 59 0.811 -1.472 9.808 1.00 0.00 C ATOM 924 C PRO A 59 0.138 -0.221 9.240 1.00 0.00 C ATOM 925 O PRO A 59 -0.559 0.493 9.958 1.00 0.00 O ATOM 926 CB PRO A 59 2.328 -1.378 9.812 1.00 0.00 C ATOM 927 CG PRO A 59 2.801 -2.214 8.633 1.00 0.00 C ATOM 928 CD PRO A 59 1.630 -3.062 8.164 1.00 0.00 C ATOM 0 HA PRO A 59 0.426 -1.555 10.825 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.655 -0.343 9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.740 -1.755 10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.154 -1.571 7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.638 -2.848 8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.421 -2.898 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.837 -4.125 8.287 1.00 0.00 H new ATOM 936 N ILE A 60 0.369 0.005 7.955 1.00 0.00 N ATOM 937 CA ILE A 60 -0.207 1.156 7.282 1.00 0.00 C ATOM 938 C ILE A 60 -1.690 1.265 7.645 1.00 0.00 C ATOM 939 O ILE A 60 -2.167 2.339 8.006 1.00 0.00 O ATOM 940 CB ILE A 60 0.054 1.083 5.776 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.524 1.364 5.461 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.885 2.018 5.011 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.798 1.235 3.961 1.00 0.00 C ATOM 0 H ILE A 60 0.948 -0.590 7.362 1.00 0.00 H new ATOM 0 HA ILE A 60 0.273 2.074 7.621 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.159 0.068 5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.786 2.367 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.157 0.668 6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.679 1.947 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.919 1.730 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.727 3.044 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.850 1.440 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.558 0.224 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.181 1.949 3.416 1.00 0.00 H new ATOM 955 N ILE A 61 -2.377 0.137 7.535 1.00 0.00 N ATOM 956 CA ILE A 61 -3.795 0.092 7.847 1.00 0.00 C ATOM 957 C ILE A 61 -3.993 0.347 9.341 1.00 0.00 C ATOM 958 O ILE A 61 -5.038 0.844 9.757 1.00 0.00 O ATOM 959 CB ILE A 61 -4.408 -1.224 7.361 1.00 0.00 C ATOM 960 CG1 ILE A 61 -4.220 -1.393 5.852 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.879 -1.327 7.770 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.642 -2.792 5.400 1.00 0.00 C ATOM 0 H ILE A 61 -1.978 -0.752 7.234 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.327 0.881 7.316 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.880 -2.046 7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.808 -0.643 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.176 -1.222 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.291 -2.271 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.958 -1.285 8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.437 -0.499 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.498 -2.885 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.036 -3.538 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.693 -2.951 5.641 1.00 0.00 H new ATOM 974 N HIS A 62 -2.972 -0.003 10.110 1.00 0.00 N ATOM 975 CA HIS A 62 -3.020 0.182 11.550 1.00 0.00 C ATOM 976 C HIS A 62 -2.930 1.673 11.879 1.00 0.00 C ATOM 977 O HIS A 62 -3.212 2.084 13.003 1.00 0.00 O ATOM 978 CB HIS A 62 -1.934 -0.644 12.241 1.00 0.00 C ATOM 979 CG HIS A 62 -0.624 0.086 12.415 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.571 -0.566 12.663 1.00 0.00 N ATOM 981 CD2 HIS A 62 -0.333 1.418 12.372 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.531 0.341 12.765 1.00 0.00 C ATOM 983 NE2 HIS A 62 0.968 1.570 12.584 1.00 0.00 N ATOM 0 H HIS A 62 -2.106 -0.414 9.762 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.972 -0.183 11.935 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.297 -0.956 13.220 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.759 -1.551 11.662 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.041 2.214 12.195 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.575 0.142 12.957 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.466 2.460 12.608 1.00 0.00 H new ATOM 992 N GLU A 63 -2.534 2.445 10.877 1.00 0.00 N ATOM 993 CA GLU A 63 -2.402 3.882 11.045 1.00 0.00 C ATOM 994 C GLU A 63 -3.760 4.563 10.871 1.00 0.00 C ATOM 995 O GLU A 63 -4.171 5.361 11.711 1.00 0.00 O ATOM 996 CB GLU A 63 -1.372 4.456 10.070 1.00 0.00 C ATOM 997 CG GLU A 63 -0.186 5.065 10.821 1.00 0.00 C ATOM 998 CD GLU A 63 0.908 4.021 11.058 1.00 0.00 C ATOM 999 OE1 GLU A 63 0.984 3.084 10.235 1.00 0.00 O ATOM 1000 OE2 GLU A 63 1.641 4.185 12.056 1.00 0.00 O ATOM 0 H GLU A 63 -2.300 2.102 9.945 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.045 4.079 12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.019 3.669 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.841 5.217 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.221 5.900 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.523 5.467 11.776 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.421 4.223 9.774 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.725 4.792 9.478 1.00 0.00 C ATOM 1010 C LEU A 64 -6.758 4.222 10.452 1.00 0.00 C ATOM 1011 O LEU A 64 -7.761 4.870 10.748 1.00 0.00 O ATOM 1012 CB LEU A 64 -6.084 4.576 8.006 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.946 4.776 7.003 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -5.073 3.803 5.829 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.877 6.231 6.536 1.00 0.00 C ATOM 0 H LEU A 64 -4.078 3.560 9.079 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.710 5.872 9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.469 3.563 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.895 5.257 7.746 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.005 4.554 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.252 3.966 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.036 2.779 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.022 3.970 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.060 6.346 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.817 6.504 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.705 6.881 7.394 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.477 3.017 10.925 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.369 2.353 11.860 1.00 0.00 C ATOM 1029 C GLU A 65 -7.369 3.084 13.204 1.00 0.00 C ATOM 1030 O GLU A 65 -8.409 3.206 13.849 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.984 0.882 12.035 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.895 -0.025 11.206 1.00 0.00 C ATOM 1033 CD GLU A 65 -8.114 -1.368 11.905 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -8.579 -1.335 13.065 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -7.813 -2.398 11.265 1.00 0.00 O ATOM 0 H GLU A 65 -5.644 2.483 10.678 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.379 2.384 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.947 0.735 11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.052 0.607 13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.855 0.466 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.453 -0.190 10.223 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.189 3.550 13.588 1.00 0.00 N ATOM 1044 CA GLY A 66 -6.039 4.264 14.844 1.00 0.00 C ATOM 1045 C GLY A 66 -6.586 5.690 14.732 1.00 0.00 C ATOM 1046 O GLY A 66 -7.399 6.112 15.553 1.00 0.00 O ATOM 0 H GLY A 66 -5.328 3.447 13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.565 3.730 15.635 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.986 4.295 15.125 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.118 6.390 13.710 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.550 7.759 13.479 1.00 0.00 C ATOM 1052 C GLY A 67 -5.480 8.551 12.723 1.00 0.00 C ATOM 1053 O GLY A 67 -5.208 9.703 13.054 1.00 0.00 O ATOM 0 H GLY A 67 -5.444 6.036 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.479 7.760 12.909 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.761 8.244 14.432 1.00 0.00 H new ATOM 1057 N THR A 68 -4.906 7.901 11.723 1.00 0.00 N ATOM 1058 CA THR A 68 -3.873 8.530 10.917 1.00 0.00 C ATOM 1059 C THR A 68 -4.303 8.587 9.449 1.00 0.00 C ATOM 1060 O THR A 68 -4.533 7.552 8.826 1.00 0.00 O ATOM 1061 CB THR A 68 -2.568 7.764 11.138 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.220 8.055 12.490 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.407 8.338 10.324 1.00 0.00 C ATOM 0 H THR A 68 -5.136 6.945 11.452 1.00 0.00 H new ATOM 0 HA THR A 68 -3.713 9.566 11.217 1.00 0.00 H new ATOM 0 HB THR A 68 -2.713 6.716 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.385 7.596 12.719 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.505 7.758 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.648 8.290 9.262 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.239 9.376 10.611 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.398 9.807 8.940 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.795 10.012 7.558 1.00 0.00 C ATOM 1073 C ALA A 69 -3.917 9.153 6.646 1.00 0.00 C ATOM 1074 O ALA A 69 -2.865 8.672 7.065 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.709 11.501 7.218 1.00 0.00 C ATOM 0 H ALA A 69 -4.207 10.663 9.460 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.829 9.702 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.007 11.655 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.374 12.063 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.685 11.847 7.357 1.00 0.00 H new ATOM 1081 N PRO A 70 -4.394 8.982 5.384 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.664 8.189 4.410 1.00 0.00 C ATOM 1083 C PRO A 70 -2.446 8.952 3.883 1.00 0.00 C ATOM 1084 O PRO A 70 -1.521 8.352 3.337 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.678 7.868 3.324 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.804 8.875 3.495 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.635 9.536 4.853 1.00 0.00 C ATOM 0 HA PRO A 70 -3.253 7.274 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.229 7.949 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.048 6.848 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.773 9.621 2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.773 8.380 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.577 10.621 4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.478 9.317 5.508 1.00 0.00 H new ATOM 1095 N LYS A 71 -2.485 10.264 4.067 1.00 0.00 N ATOM 1096 CA LYS A 71 -1.396 11.114 3.618 1.00 0.00 C ATOM 1097 C LYS A 71 -0.443 11.376 4.786 1.00 0.00 C ATOM 1098 O LYS A 71 0.442 12.225 4.692 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.944 12.389 2.974 1.00 0.00 C ATOM 1100 CG LYS A 71 -2.464 13.361 4.036 1.00 0.00 C ATOM 1101 CD LYS A 71 -1.578 14.604 4.124 1.00 0.00 C ATOM 1102 CE LYS A 71 -1.182 14.895 5.573 1.00 0.00 C ATOM 1103 NZ LYS A 71 0.196 15.430 5.636 1.00 0.00 N ATOM 0 H LYS A 71 -3.253 10.758 4.521 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.818 10.614 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.161 12.870 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.748 12.135 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.486 13.655 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.495 12.863 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.682 14.459 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.107 15.462 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.877 15.612 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.252 13.983 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.449 15.622 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.858 14.733 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.251 16.312 5.087 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.657 10.632 5.861 1.00 0.00 N ATOM 1118 CA ASP A 72 0.171 10.771 7.047 1.00 0.00 C ATOM 1119 C ASP A 72 0.958 9.479 7.269 1.00 0.00 C ATOM 1120 O ASP A 72 2.122 9.518 7.666 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.685 11.024 8.290 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.482 12.390 8.948 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.289 13.189 8.372 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.103 12.606 10.011 1.00 0.00 O ATOM 0 H ASP A 72 -1.393 9.930 5.936 1.00 0.00 H new ATOM 0 HA ASP A 72 0.841 11.617 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.735 10.922 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.470 10.248 9.025 1.00 0.00 H new ATOM 1130 N VAL A 73 0.294 8.365 7.002 1.00 0.00 N ATOM 1131 CA VAL A 73 0.916 7.063 7.169 1.00 0.00 C ATOM 1132 C VAL A 73 2.256 7.046 6.429 1.00 0.00 C ATOM 1133 O VAL A 73 3.288 6.718 7.013 1.00 0.00 O ATOM 1134 CB VAL A 73 -0.038 5.962 6.703 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.460 4.583 7.140 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.458 6.218 7.209 1.00 0.00 C ATOM 0 H VAL A 73 -0.670 8.337 6.671 1.00 0.00 H new ATOM 0 HA VAL A 73 1.122 6.870 8.222 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.062 5.979 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.237 3.819 6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.444 4.398 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.528 4.549 8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.116 5.421 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.457 6.242 8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.814 7.174 6.826 1.00 0.00 H new ATOM 1146 N CYS A 74 2.197 7.403 5.155 1.00 0.00 N ATOM 1147 CA CYS A 74 3.392 7.433 4.329 1.00 0.00 C ATOM 1148 C CYS A 74 4.203 8.675 4.702 1.00 0.00 C ATOM 1149 O CYS A 74 4.241 9.645 3.947 1.00 0.00 O ATOM 1150 CB CYS A 74 3.050 7.400 2.838 1.00 0.00 C ATOM 1151 SG CYS A 74 1.505 6.513 2.423 1.00 0.00 S ATOM 0 H CYS A 74 1.339 7.674 4.674 1.00 0.00 H new ATOM 0 HA CYS A 74 3.990 6.541 4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.972 8.425 2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.876 6.933 2.301 1.00 0.00 H new ATOM 1156 N THR A 75 4.831 8.606 5.867 1.00 0.00 N ATOM 1157 CA THR A 75 5.639 9.713 6.350 1.00 0.00 C ATOM 1158 C THR A 75 6.233 9.382 7.720 1.00 0.00 C ATOM 1159 O THR A 75 7.451 9.296 7.868 1.00 0.00 O ATOM 1160 CB THR A 75 4.766 10.969 6.353 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.236 11.722 5.237 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.043 11.872 7.556 1.00 0.00 C ATOM 0 H THR A 75 4.796 7.800 6.491 1.00 0.00 H new ATOM 0 HA THR A 75 6.492 9.895 5.697 1.00 0.00 H new ATOM 0 HB THR A 75 3.715 10.680 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.041 11.236 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.397 12.749 7.509 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.844 11.323 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.086 12.189 7.541 1.00 0.00 H new ATOM 1170 N LYS A 76 5.344 9.205 8.686 1.00 0.00 N ATOM 1171 CA LYS A 76 5.766 8.886 10.040 1.00 0.00 C ATOM 1172 C LYS A 76 6.247 7.434 10.091 1.00 0.00 C ATOM 1173 O LYS A 76 7.089 7.084 10.916 1.00 0.00 O ATOM 1174 CB LYS A 76 4.648 9.199 11.038 1.00 0.00 C ATOM 1175 CG LYS A 76 5.022 8.730 12.445 1.00 0.00 C ATOM 1176 CD LYS A 76 3.782 8.288 13.223 1.00 0.00 C ATOM 1177 CE LYS A 76 4.054 8.275 14.729 1.00 0.00 C ATOM 1178 NZ LYS A 76 3.546 9.514 15.357 1.00 0.00 N ATOM 0 H LYS A 76 4.334 9.276 8.559 1.00 0.00 H new ATOM 0 HA LYS A 76 6.609 9.512 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.454 10.272 11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.726 8.711 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.729 7.903 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.523 9.537 12.980 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.953 8.961 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.479 7.293 12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.576 7.407 15.184 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.125 8.181 14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.738 9.489 16.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.021 10.337 14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.521 9.588 15.200 1.00 0.00 H new ATOM 1192 N LEU A 77 5.689 6.629 9.198 1.00 0.00 N ATOM 1193 CA LEU A 77 6.051 5.223 9.132 1.00 0.00 C ATOM 1194 C LEU A 77 7.452 5.089 8.532 1.00 0.00 C ATOM 1195 O LEU A 77 7.980 3.983 8.418 1.00 0.00 O ATOM 1196 CB LEU A 77 4.981 4.430 8.378 1.00 0.00 C ATOM 1197 CG LEU A 77 3.757 4.012 9.195 1.00 0.00 C ATOM 1198 CD1 LEU A 77 4.169 3.206 10.428 1.00 0.00 C ATOM 1199 CD2 LEU A 77 2.902 5.226 9.563 1.00 0.00 C ATOM 0 H LEU A 77 4.990 6.923 8.516 1.00 0.00 H new ATOM 0 HA LEU A 77 6.090 4.792 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.642 5.028 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.444 3.532 7.968 1.00 0.00 H new ATOM 0 HG LEU A 77 3.141 3.360 8.576 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.280 2.922 10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.702 2.309 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.819 3.813 11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.039 4.901 10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.495 5.923 10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.562 5.721 8.653 1.00 0.00 H new ATOM 1211 N ASN A 78 8.015 6.231 8.164 1.00 0.00 N ATOM 1212 CA ASN A 78 9.345 6.254 7.579 1.00 0.00 C ATOM 1213 C ASN A 78 9.329 5.483 6.257 1.00 0.00 C ATOM 1214 O ASN A 78 10.365 4.993 5.809 1.00 0.00 O ATOM 1215 CB ASN A 78 10.366 5.589 8.503 1.00 0.00 C ATOM 1216 CG ASN A 78 11.508 6.549 8.841 1.00 0.00 C ATOM 1217 OD1 ASN A 78 12.636 6.392 8.401 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.155 7.549 9.643 1.00 0.00 N ATOM 0 H ASN A 78 7.575 7.146 8.260 1.00 0.00 H new ATOM 0 HA ASN A 78 9.627 7.295 7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.875 5.266 9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.767 4.696 8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.846 8.244 9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.193 7.621 9.975 1.00 0.00 H new ATOM 1225 N GLU A 79 8.144 5.399 5.672 1.00 0.00 N ATOM 1226 CA GLU A 79 7.981 4.695 4.411 1.00 0.00 C ATOM 1227 C GLU A 79 7.953 5.689 3.249 1.00 0.00 C ATOM 1228 O GLU A 79 7.942 5.289 2.085 1.00 0.00 O ATOM 1229 CB GLU A 79 6.718 3.832 4.425 1.00 0.00 C ATOM 1230 CG GLU A 79 5.465 4.697 4.575 1.00 0.00 C ATOM 1231 CD GLU A 79 4.409 3.988 5.426 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.634 2.799 5.736 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.400 4.653 5.748 1.00 0.00 O ATOM 0 H GLU A 79 7.287 5.806 6.047 1.00 0.00 H new ATOM 0 HA GLU A 79 8.834 4.030 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.657 3.255 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.771 3.117 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.729 5.649 5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.054 4.922 3.591 1.00 0.00 H new