USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 71 ASN : amide:sc= 1.44 K(o=1.7,f=-6.6!) USER MOD Set 1.2: A 74 CYS SG : rot 38:sc= 0.534 USER MOD Set 1.3: A 86 ASN : amide:sc= -0.237 K(o=1.7,f=-2.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 0.135 (180deg=0.0262) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.0039) USER MOD Single : A 92 ASN : amide:sc= -1.57 K(o=-1.6,f=-3!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00297 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -2.2 X(o=-2.2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 17.227 -21.875 -10.860 1.00 0.00 N ATOM 2 CA GLY A 50 16.981 -20.569 -11.443 1.00 0.00 C ATOM 3 C GLY A 50 17.627 -19.449 -10.651 1.00 0.00 C ATOM 4 O GLY A 50 17.573 -19.437 -9.422 1.00 0.00 O ATOM 0 HA2 GLY A 50 17.361 -20.553 -12.465 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.906 -20.397 -11.500 1.00 0.00 H new ATOM 8 N SER A 51 18.244 -18.507 -11.358 1.00 0.00 N ATOM 9 CA SER A 51 18.909 -17.381 -10.713 1.00 0.00 C ATOM 10 C SER A 51 18.275 -16.059 -11.137 1.00 0.00 C ATOM 11 O SER A 51 18.000 -15.841 -12.317 1.00 0.00 O ATOM 12 CB SER A 51 20.400 -17.377 -11.056 1.00 0.00 C ATOM 13 OG SER A 51 20.620 -16.880 -12.365 1.00 0.00 O ATOM 0 H SER A 51 18.297 -18.501 -12.377 1.00 0.00 H new ATOM 0 HA SER A 51 18.791 -17.491 -9.635 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.941 -16.764 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.798 -18.389 -10.976 1.00 0.00 H new ATOM 0 HG SER A 51 21.580 -16.886 -12.560 1.00 0.00 H new ATOM 19 N SER A 52 18.044 -15.182 -10.166 1.00 0.00 N ATOM 20 CA SER A 52 17.439 -13.883 -10.437 1.00 0.00 C ATOM 21 C SER A 52 17.930 -12.836 -9.442 1.00 0.00 C ATOM 22 O SER A 52 18.098 -13.120 -8.257 1.00 0.00 O ATOM 23 CB SER A 52 15.913 -13.985 -10.375 1.00 0.00 C ATOM 24 OG SER A 52 15.303 -12.823 -10.910 1.00 0.00 O ATOM 0 H SER A 52 18.267 -15.347 -9.184 1.00 0.00 H new ATOM 0 HA SER A 52 17.736 -13.574 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.581 -14.862 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.596 -14.123 -9.341 1.00 0.00 H new ATOM 0 HG SER A 52 14.328 -12.913 -10.861 1.00 0.00 H new ATOM 30 N GLY A 53 18.160 -11.623 -9.934 1.00 0.00 N ATOM 31 CA GLY A 53 18.631 -10.551 -9.077 1.00 0.00 C ATOM 32 C GLY A 53 17.503 -9.669 -8.579 1.00 0.00 C ATOM 33 O GLY A 53 16.551 -10.154 -7.967 1.00 0.00 O ATOM 0 H GLY A 53 18.028 -11.363 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.159 -10.977 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.350 -9.942 -9.624 1.00 0.00 H new ATOM 37 N SER A 54 17.610 -8.370 -8.839 1.00 0.00 N ATOM 38 CA SER A 54 16.593 -7.418 -8.408 1.00 0.00 C ATOM 39 C SER A 54 15.335 -7.543 -9.263 1.00 0.00 C ATOM 40 O SER A 54 15.135 -6.779 -10.207 1.00 0.00 O ATOM 41 CB SER A 54 17.136 -5.990 -8.485 1.00 0.00 C ATOM 42 OG SER A 54 17.836 -5.646 -7.302 1.00 0.00 O ATOM 0 H SER A 54 18.391 -7.953 -9.346 1.00 0.00 H new ATOM 0 HA SER A 54 16.333 -7.645 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.800 -5.896 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.313 -5.292 -8.640 1.00 0.00 H new ATOM 0 HG SER A 54 18.174 -4.729 -7.377 1.00 0.00 H new ATOM 48 N SER A 55 14.490 -8.511 -8.923 1.00 0.00 N ATOM 49 CA SER A 55 13.253 -8.739 -9.661 1.00 0.00 C ATOM 50 C SER A 55 12.472 -7.439 -9.827 1.00 0.00 C ATOM 51 O SER A 55 12.243 -6.978 -10.944 1.00 0.00 O ATOM 52 CB SER A 55 12.390 -9.778 -8.941 1.00 0.00 C ATOM 53 OG SER A 55 11.138 -9.935 -9.586 1.00 0.00 O ATOM 0 H SER A 55 14.639 -9.150 -8.142 1.00 0.00 H new ATOM 0 HA SER A 55 13.513 -9.115 -10.651 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.912 -10.734 -8.915 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.234 -9.472 -7.906 1.00 0.00 H new ATOM 0 HG SER A 55 10.606 -10.605 -9.108 1.00 0.00 H new ATOM 59 N GLY A 56 12.065 -6.853 -8.705 1.00 0.00 N ATOM 60 CA GLY A 56 11.314 -5.612 -8.747 1.00 0.00 C ATOM 61 C GLY A 56 9.824 -5.830 -8.573 1.00 0.00 C ATOM 62 O GLY A 56 9.071 -5.821 -9.546 1.00 0.00 O ATOM 0 H GLY A 56 12.242 -7.215 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.675 -4.946 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.496 -5.113 -9.699 1.00 0.00 H new ATOM 66 N GLU A 57 9.398 -6.028 -7.329 1.00 0.00 N ATOM 67 CA GLU A 57 7.988 -6.252 -7.032 1.00 0.00 C ATOM 68 C GLU A 57 7.229 -4.930 -6.967 1.00 0.00 C ATOM 69 O GLU A 57 7.718 -3.929 -6.442 1.00 0.00 O ATOM 70 CB GLU A 57 7.836 -7.005 -5.709 1.00 0.00 C ATOM 71 CG GLU A 57 6.391 -7.199 -5.281 1.00 0.00 C ATOM 72 CD GLU A 57 5.797 -8.493 -5.804 1.00 0.00 C ATOM 73 OE1 GLU A 57 6.259 -8.974 -6.859 1.00 0.00 O ATOM 74 OE2 GLU A 57 4.869 -9.024 -5.158 1.00 0.00 O ATOM 0 H GLU A 57 10.008 -6.038 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 57 7.565 -6.855 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.313 -7.981 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.367 -6.461 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.334 -7.191 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.794 -6.359 -5.637 1.00 0.00 H new ATOM 81 N PRO A 58 6.004 -4.923 -7.514 1.00 0.00 N ATOM 82 CA PRO A 58 5.151 -3.731 -7.531 1.00 0.00 C ATOM 83 C PRO A 58 4.639 -3.365 -6.142 1.00 0.00 C ATOM 84 O PRO A 58 4.489 -4.228 -5.277 1.00 0.00 O ATOM 85 CB PRO A 58 3.988 -4.141 -8.438 1.00 0.00 C ATOM 86 CG PRO A 58 3.936 -5.626 -8.340 1.00 0.00 C ATOM 87 CD PRO A 58 5.358 -6.080 -8.157 1.00 0.00 C ATOM 0 HA PRO A 58 5.690 -2.849 -7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.052 -3.690 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.154 -3.818 -9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.315 -5.940 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.500 -6.061 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.418 -6.972 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.828 -6.325 -9.110 1.00 0.00 H new ATOM 95 N VAL A 59 4.373 -2.079 -5.935 1.00 0.00 N ATOM 96 CA VAL A 59 3.876 -1.598 -4.651 1.00 0.00 C ATOM 97 C VAL A 59 2.382 -1.865 -4.505 1.00 0.00 C ATOM 98 O VAL A 59 1.553 -1.112 -5.019 1.00 0.00 O ATOM 99 CB VAL A 59 4.137 -0.090 -4.478 1.00 0.00 C ATOM 100 CG1 VAL A 59 3.579 0.399 -3.150 1.00 0.00 C ATOM 101 CG2 VAL A 59 5.625 0.208 -4.582 1.00 0.00 C ATOM 0 H VAL A 59 4.493 -1.352 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 59 4.416 -2.144 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 59 3.626 0.444 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.773 1.467 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.504 0.220 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.060 -0.139 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.791 1.278 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.160 -0.335 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.991 -0.105 -5.560 1.00 0.00 H new ATOM 111 N LEU A 60 2.045 -2.940 -3.802 1.00 0.00 N ATOM 112 CA LEU A 60 0.649 -3.306 -3.586 1.00 0.00 C ATOM 113 C LEU A 60 0.109 -2.669 -2.310 1.00 0.00 C ATOM 114 O LEU A 60 0.808 -2.591 -1.299 1.00 0.00 O ATOM 115 CB LEU A 60 0.507 -4.827 -3.511 1.00 0.00 C ATOM 116 CG LEU A 60 1.001 -5.609 -4.729 1.00 0.00 C ATOM 117 CD1 LEU A 60 0.892 -7.106 -4.482 1.00 0.00 C ATOM 118 CD2 LEU A 60 0.216 -5.213 -5.971 1.00 0.00 C ATOM 0 H LEU A 60 2.719 -3.574 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 60 0.067 -2.934 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.049 -5.180 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.545 -5.066 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 60 2.050 -5.364 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.248 -7.646 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.499 -7.377 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.149 -7.369 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.581 -5.779 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.841 -5.429 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.345 -4.147 -6.159 1.00 0.00 H new ATOM 130 N CYS A 61 -1.139 -2.217 -2.362 1.00 0.00 N ATOM 131 CA CYS A 61 -1.774 -1.589 -1.210 1.00 0.00 C ATOM 132 C CYS A 61 -2.037 -2.612 -0.109 1.00 0.00 C ATOM 133 O CYS A 61 -2.469 -3.732 -0.378 1.00 0.00 O ATOM 134 CB CYS A 61 -3.087 -0.923 -1.626 1.00 0.00 C ATOM 135 SG CYS A 61 -3.943 -0.056 -0.272 1.00 0.00 S ATOM 0 H CYS A 61 -1.731 -2.274 -3.191 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.095 -0.829 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.884 -0.212 -2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.753 -1.682 -2.035 1.00 0.00 H new ATOM 140 N SER A 62 -1.772 -2.217 1.133 1.00 0.00 N ATOM 141 CA SER A 62 -1.976 -3.100 2.275 1.00 0.00 C ATOM 142 C SER A 62 -3.369 -3.721 2.240 1.00 0.00 C ATOM 143 O SER A 62 -3.516 -4.942 2.194 1.00 0.00 O ATOM 144 CB SER A 62 -1.780 -2.330 3.583 1.00 0.00 C ATOM 145 OG SER A 62 -1.690 -3.215 4.686 1.00 0.00 O ATOM 0 H SER A 62 -1.416 -1.292 1.373 1.00 0.00 H new ATOM 0 HA SER A 62 -1.239 -3.901 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.874 -1.727 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.612 -1.642 3.732 1.00 0.00 H new ATOM 0 HG SER A 62 -1.563 -2.699 5.510 1.00 0.00 H new ATOM 151 N ARG A 63 -4.390 -2.870 2.264 1.00 0.00 N ATOM 152 CA ARG A 63 -5.772 -3.333 2.236 1.00 0.00 C ATOM 153 C ARG A 63 -5.957 -4.430 1.192 1.00 0.00 C ATOM 154 O ARG A 63 -5.679 -4.230 0.009 1.00 0.00 O ATOM 155 CB ARG A 63 -6.717 -2.167 1.940 1.00 0.00 C ATOM 156 CG ARG A 63 -8.156 -2.430 2.354 1.00 0.00 C ATOM 157 CD ARG A 63 -9.112 -1.445 1.700 1.00 0.00 C ATOM 158 NE ARG A 63 -10.283 -1.184 2.532 1.00 0.00 N ATOM 159 CZ ARG A 63 -11.448 -0.763 2.051 1.00 0.00 C ATOM 160 NH1 ARG A 63 -11.596 -0.557 0.749 1.00 0.00 N ATOM 161 NH2 ARG A 63 -12.468 -0.548 2.872 1.00 0.00 N ATOM 0 H ARG A 63 -4.286 -1.856 2.303 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.011 -3.745 3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.356 -1.278 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.689 -1.949 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.435 -3.447 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.243 -2.358 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.590 -0.508 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.433 -1.838 0.735 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.202 -1.333 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.815 -0.722 0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.491 -0.234 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.358 -0.706 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.362 -0.225 2.501 1.00 0.00 H new ATOM 175 N THR A 64 -6.427 -5.591 1.638 1.00 0.00 N ATOM 176 CA THR A 64 -6.648 -6.720 0.743 1.00 0.00 C ATOM 177 C THR A 64 -7.689 -6.385 -0.319 1.00 0.00 C ATOM 178 O THR A 64 -7.500 -6.672 -1.502 1.00 0.00 O ATOM 179 CB THR A 64 -7.106 -7.970 1.518 1.00 0.00 C ATOM 180 OG1 THR A 64 -7.287 -9.067 0.616 1.00 0.00 O ATOM 181 CG2 THR A 64 -8.405 -7.699 2.263 1.00 0.00 C ATOM 0 H THR A 64 -6.662 -5.774 2.614 1.00 0.00 H new ATOM 0 HA THR A 64 -5.694 -6.930 0.259 1.00 0.00 H new ATOM 0 HB THR A 64 -6.334 -8.222 2.245 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.577 -9.858 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.709 -8.596 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.255 -6.883 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.182 -7.424 1.550 1.00 0.00 H new ATOM 189 N THR A 65 -8.789 -5.775 0.109 1.00 0.00 N ATOM 190 CA THR A 65 -9.861 -5.401 -0.805 1.00 0.00 C ATOM 191 C THR A 65 -9.377 -4.383 -1.832 1.00 0.00 C ATOM 192 O THR A 65 -9.798 -4.405 -2.989 1.00 0.00 O ATOM 193 CB THR A 65 -11.067 -4.815 -0.047 1.00 0.00 C ATOM 194 OG1 THR A 65 -10.637 -3.757 0.816 1.00 0.00 O ATOM 195 CG2 THR A 65 -11.767 -5.891 0.770 1.00 0.00 C ATOM 0 H THR A 65 -8.961 -5.529 1.084 1.00 0.00 H new ATOM 0 HA THR A 65 -10.171 -6.311 -1.318 1.00 0.00 H new ATOM 0 HB THR A 65 -11.772 -4.421 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.410 -3.389 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.615 -5.454 1.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.120 -6.680 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.068 -6.311 1.493 1.00 0.00 H new ATOM 203 N CYS A 66 -8.491 -3.491 -1.402 1.00 0.00 N ATOM 204 CA CYS A 66 -7.949 -2.464 -2.284 1.00 0.00 C ATOM 205 C CYS A 66 -6.873 -3.043 -3.196 1.00 0.00 C ATOM 206 O CYS A 66 -7.050 -3.119 -4.412 1.00 0.00 O ATOM 207 CB CYS A 66 -7.371 -1.310 -1.462 1.00 0.00 C ATOM 208 SG CYS A 66 -7.133 0.229 -2.407 1.00 0.00 S ATOM 0 H CYS A 66 -8.133 -3.459 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.762 -2.087 -2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -8.035 -1.109 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.413 -1.619 -1.045 1.00 0.00 H new ATOM 213 N ARG A 67 -5.757 -3.451 -2.601 1.00 0.00 N ATOM 214 CA ARG A 67 -4.651 -4.023 -3.359 1.00 0.00 C ATOM 215 C ARG A 67 -4.457 -3.283 -4.680 1.00 0.00 C ATOM 216 O ARG A 67 -4.219 -3.898 -5.718 1.00 0.00 O ATOM 217 CB ARG A 67 -4.902 -5.508 -3.627 1.00 0.00 C ATOM 218 CG ARG A 67 -4.862 -6.368 -2.374 1.00 0.00 C ATOM 219 CD ARG A 67 -3.439 -6.555 -1.871 1.00 0.00 C ATOM 220 NE ARG A 67 -2.670 -7.453 -2.728 1.00 0.00 N ATOM 221 CZ ARG A 67 -1.610 -8.137 -2.311 1.00 0.00 C ATOM 222 NH1 ARG A 67 -1.196 -8.025 -1.057 1.00 0.00 N ATOM 223 NH2 ARG A 67 -0.962 -8.935 -3.150 1.00 0.00 N ATOM 0 H ARG A 67 -5.595 -3.396 -1.595 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.743 -3.916 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.875 -5.623 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.155 -5.873 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.467 -5.905 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.305 -7.341 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.942 -5.586 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.462 -6.953 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.962 -7.561 -3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.691 -7.412 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.382 -8.551 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.278 -9.024 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.148 -9.460 -2.829 1.00 0.00 H new ATOM 237 N ALA A 68 -4.562 -1.959 -4.631 1.00 0.00 N ATOM 238 CA ALA A 68 -4.397 -1.135 -5.822 1.00 0.00 C ATOM 239 C ALA A 68 -2.934 -0.760 -6.032 1.00 0.00 C ATOM 240 O ALA A 68 -2.260 -0.306 -5.107 1.00 0.00 O ATOM 241 CB ALA A 68 -5.255 0.117 -5.721 1.00 0.00 C ATOM 0 H ALA A 68 -4.761 -1.434 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.723 -1.717 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.122 0.723 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.303 -0.167 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.956 0.693 -4.846 1.00 0.00 H new ATOM 247 N VAL A 69 -2.447 -0.953 -7.254 1.00 0.00 N ATOM 248 CA VAL A 69 -1.064 -0.634 -7.585 1.00 0.00 C ATOM 249 C VAL A 69 -0.802 0.863 -7.472 1.00 0.00 C ATOM 250 O VAL A 69 -1.601 1.681 -7.932 1.00 0.00 O ATOM 251 CB VAL A 69 -0.706 -1.100 -9.009 1.00 0.00 C ATOM 252 CG1 VAL A 69 0.724 -0.713 -9.354 1.00 0.00 C ATOM 253 CG2 VAL A 69 -0.907 -2.602 -9.144 1.00 0.00 C ATOM 0 H VAL A 69 -2.990 -1.329 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.437 -1.164 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.372 -0.602 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.959 -1.050 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.831 0.370 -9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.408 -1.181 -8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.649 -2.914 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.267 -3.120 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.949 -2.849 -8.942 1.00 0.00 H new ATOM 263 N LEU A 70 0.321 1.217 -6.857 1.00 0.00 N ATOM 264 CA LEU A 70 0.689 2.618 -6.683 1.00 0.00 C ATOM 265 C LEU A 70 0.443 3.409 -7.964 1.00 0.00 C ATOM 266 O LEU A 70 0.831 2.985 -9.052 1.00 0.00 O ATOM 267 CB LEU A 70 2.159 2.733 -6.274 1.00 0.00 C ATOM 268 CG LEU A 70 2.659 4.142 -5.954 1.00 0.00 C ATOM 269 CD1 LEU A 70 2.040 4.646 -4.659 1.00 0.00 C ATOM 270 CD2 LEU A 70 4.178 4.161 -5.864 1.00 0.00 C ATOM 0 H LEU A 70 0.992 0.554 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 70 0.065 3.036 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.322 2.104 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.772 2.326 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 70 2.355 4.808 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.407 5.650 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.955 4.670 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.314 3.979 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.516 5.172 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.504 3.482 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.603 3.843 -6.816 1.00 0.00 H new ATOM 282 N ASN A 71 -0.203 4.562 -7.826 1.00 0.00 N ATOM 283 CA ASN A 71 -0.500 5.414 -8.973 1.00 0.00 C ATOM 284 C ASN A 71 -0.068 6.852 -8.708 1.00 0.00 C ATOM 285 O ASN A 71 0.094 7.278 -7.564 1.00 0.00 O ATOM 286 CB ASN A 71 -1.996 5.369 -9.294 1.00 0.00 C ATOM 287 CG ASN A 71 -2.852 5.280 -8.046 1.00 0.00 C ATOM 288 OD1 ASN A 71 -3.313 6.294 -7.521 1.00 0.00 O ATOM 289 ND2 ASN A 71 -3.070 4.062 -7.564 1.00 0.00 N ATOM 0 H ASN A 71 -0.531 4.928 -6.932 1.00 0.00 H new ATOM 0 HA ASN A 71 0.060 5.037 -9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.271 6.261 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.202 4.511 -9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.639 3.939 -6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.668 3.249 -8.031 1.00 0.00 H new ATOM 296 N PRO A 72 0.124 7.621 -9.790 1.00 0.00 N ATOM 297 CA PRO A 72 0.539 9.024 -9.701 1.00 0.00 C ATOM 298 C PRO A 72 -0.560 9.919 -9.139 1.00 0.00 C ATOM 299 O PRO A 72 -0.397 11.137 -9.047 1.00 0.00 O ATOM 300 CB PRO A 72 0.842 9.398 -11.154 1.00 0.00 C ATOM 301 CG PRO A 72 0.013 8.463 -11.966 1.00 0.00 C ATOM 302 CD PRO A 72 -0.050 7.180 -11.184 1.00 0.00 C ATOM 0 HA PRO A 72 1.386 9.156 -9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.582 10.437 -11.358 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.902 9.285 -11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.985 8.869 -12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.457 8.300 -12.948 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.002 6.668 -11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.734 6.486 -11.487 1.00 0.00 H new ATOM 310 N LEU A 73 -1.679 9.310 -8.764 1.00 0.00 N ATOM 311 CA LEU A 73 -2.806 10.052 -8.209 1.00 0.00 C ATOM 312 C LEU A 73 -2.761 10.051 -6.685 1.00 0.00 C ATOM 313 O LEU A 73 -3.127 11.037 -6.043 1.00 0.00 O ATOM 314 CB LEU A 73 -4.126 9.449 -8.692 1.00 0.00 C ATOM 315 CG LEU A 73 -4.686 10.016 -9.998 1.00 0.00 C ATOM 316 CD1 LEU A 73 -5.724 9.074 -10.587 1.00 0.00 C ATOM 317 CD2 LEU A 73 -5.285 11.395 -9.766 1.00 0.00 C ATOM 0 H LEU A 73 -1.831 8.304 -8.834 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.736 11.083 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.988 8.375 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.873 9.587 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.867 10.112 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.111 9.494 -11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.264 8.107 -10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.542 8.945 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.679 11.783 -10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.092 11.323 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.514 12.068 -9.390 1.00 0.00 H new ATOM 329 N CYS A 74 -2.309 8.942 -6.112 1.00 0.00 N ATOM 330 CA CYS A 74 -2.215 8.814 -4.662 1.00 0.00 C ATOM 331 C CYS A 74 -1.359 9.929 -4.072 1.00 0.00 C ATOM 332 O CYS A 74 -0.623 10.605 -4.790 1.00 0.00 O ATOM 333 CB CYS A 74 -1.629 7.452 -4.286 1.00 0.00 C ATOM 334 SG CYS A 74 -2.635 6.045 -4.814 1.00 0.00 S ATOM 0 H CYS A 74 -2.002 8.118 -6.629 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.221 8.895 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.636 7.361 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.502 7.409 -3.204 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.152 6.294 -5.981 1.00 0.00 H new ATOM 340 N GLN A 75 -1.462 10.117 -2.760 1.00 0.00 N ATOM 341 CA GLN A 75 -0.698 11.153 -2.075 1.00 0.00 C ATOM 342 C GLN A 75 0.568 10.574 -1.453 1.00 0.00 C ATOM 343 O GLN A 75 0.512 9.876 -0.440 1.00 0.00 O ATOM 344 CB GLN A 75 -1.554 11.816 -0.994 1.00 0.00 C ATOM 345 CG GLN A 75 -2.555 12.820 -1.542 1.00 0.00 C ATOM 346 CD GLN A 75 -3.657 13.145 -0.553 1.00 0.00 C ATOM 347 OE1 GLN A 75 -4.773 12.635 -0.660 1.00 0.00 O ATOM 348 NE2 GLN A 75 -3.350 13.997 0.417 1.00 0.00 N ATOM 0 H GLN A 75 -2.067 9.566 -2.151 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.409 11.903 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.091 11.044 -0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.900 12.319 -0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.032 13.738 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.998 12.424 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.413 14.396 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.051 14.253 1.112 1.00 0.00 H new ATOM 357 N VAL A 76 1.710 10.868 -2.066 1.00 0.00 N ATOM 358 CA VAL A 76 2.992 10.377 -1.572 1.00 0.00 C ATOM 359 C VAL A 76 3.629 11.374 -0.611 1.00 0.00 C ATOM 360 O VAL A 76 3.518 12.587 -0.795 1.00 0.00 O ATOM 361 CB VAL A 76 3.970 10.099 -2.729 1.00 0.00 C ATOM 362 CG1 VAL A 76 5.304 9.604 -2.192 1.00 0.00 C ATOM 363 CG2 VAL A 76 3.372 9.094 -3.702 1.00 0.00 C ATOM 0 H VAL A 76 1.774 11.444 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 76 2.792 9.445 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 76 4.145 11.031 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.982 9.413 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.736 10.361 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.151 8.683 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.076 8.909 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.167 8.160 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.444 9.492 -4.111 1.00 0.00 H new ATOM 373 N ASP A 77 4.295 10.856 0.415 1.00 0.00 N ATOM 374 CA ASP A 77 4.952 11.701 1.405 1.00 0.00 C ATOM 375 C ASP A 77 6.413 11.298 1.580 1.00 0.00 C ATOM 376 O ASP A 77 6.856 10.994 2.688 1.00 0.00 O ATOM 377 CB ASP A 77 4.222 11.613 2.746 1.00 0.00 C ATOM 378 CG ASP A 77 4.342 12.889 3.556 1.00 0.00 C ATOM 379 OD1 ASP A 77 5.455 13.455 3.611 1.00 0.00 O ATOM 380 OD2 ASP A 77 3.324 13.323 4.134 1.00 0.00 O ATOM 0 H ASP A 77 4.394 9.855 0.583 1.00 0.00 H new ATOM 0 HA ASP A 77 4.918 12.730 1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.169 11.396 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.626 10.781 3.322 1.00 0.00 H new ATOM 385 N TYR A 78 7.156 11.298 0.479 1.00 0.00 N ATOM 386 CA TYR A 78 8.567 10.929 0.509 1.00 0.00 C ATOM 387 C TYR A 78 9.219 11.377 1.814 1.00 0.00 C ATOM 388 O TYR A 78 10.006 10.642 2.412 1.00 0.00 O ATOM 389 CB TYR A 78 9.303 11.547 -0.680 1.00 0.00 C ATOM 390 CG TYR A 78 9.317 10.666 -1.908 1.00 0.00 C ATOM 391 CD1 TYR A 78 8.205 10.578 -2.737 1.00 0.00 C ATOM 392 CD2 TYR A 78 10.441 9.920 -2.240 1.00 0.00 C ATOM 393 CE1 TYR A 78 8.213 9.773 -3.860 1.00 0.00 C ATOM 394 CE2 TYR A 78 10.458 9.113 -3.361 1.00 0.00 C ATOM 395 CZ TYR A 78 9.342 9.043 -4.168 1.00 0.00 C ATOM 396 OH TYR A 78 9.355 8.240 -5.286 1.00 0.00 O ATOM 0 H TYR A 78 6.805 11.549 -0.445 1.00 0.00 H new ATOM 0 HA TYR A 78 8.634 9.843 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.835 12.499 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.330 11.764 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.319 11.149 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.317 9.972 -1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.340 9.716 -4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.341 8.540 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 78 10.225 7.796 -5.359 1.00 0.00 H new ATOM 406 N ARG A 79 8.885 12.587 2.250 1.00 0.00 N ATOM 407 CA ARG A 79 9.438 13.134 3.483 1.00 0.00 C ATOM 408 C ARG A 79 9.284 12.145 4.634 1.00 0.00 C ATOM 409 O ARG A 79 10.254 11.816 5.316 1.00 0.00 O ATOM 410 CB ARG A 79 8.747 14.453 3.835 1.00 0.00 C ATOM 411 CG ARG A 79 9.427 15.675 3.238 1.00 0.00 C ATOM 412 CD ARG A 79 8.765 16.963 3.703 1.00 0.00 C ATOM 413 NE ARG A 79 7.502 17.209 3.013 1.00 0.00 N ATOM 414 CZ ARG A 79 6.774 18.308 3.182 1.00 0.00 C ATOM 415 NH1 ARG A 79 7.182 19.256 4.014 1.00 0.00 N ATOM 416 NH2 ARG A 79 5.635 18.459 2.518 1.00 0.00 N ATOM 0 H ARG A 79 8.234 13.207 1.768 1.00 0.00 H new ATOM 0 HA ARG A 79 10.501 13.318 3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.714 14.416 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.715 14.559 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.479 15.682 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.391 15.618 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.587 16.912 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.441 17.801 3.531 1.00 0.00 H new ATOM 0 HE ARG A 79 7.160 16.499 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.057 19.143 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.621 20.098 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.318 17.731 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.077 19.303 2.648 1.00 0.00 H new ATOM 430 N ALA A 80 8.059 11.674 4.843 1.00 0.00 N ATOM 431 CA ALA A 80 7.779 10.721 5.910 1.00 0.00 C ATOM 432 C ALA A 80 7.648 9.304 5.360 1.00 0.00 C ATOM 433 O ALA A 80 6.963 8.463 5.941 1.00 0.00 O ATOM 434 CB ALA A 80 6.514 11.119 6.655 1.00 0.00 C ATOM 0 H ALA A 80 7.245 11.937 4.288 1.00 0.00 H new ATOM 0 HA ALA A 80 8.617 10.736 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.317 10.398 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.644 12.110 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.673 11.134 5.962 1.00 0.00 H new ATOM 440 N LYS A 81 8.308 9.047 4.236 1.00 0.00 N ATOM 441 CA LYS A 81 8.266 7.733 3.607 1.00 0.00 C ATOM 442 C LYS A 81 6.896 7.087 3.787 1.00 0.00 C ATOM 443 O LYS A 81 6.794 5.893 4.076 1.00 0.00 O ATOM 444 CB LYS A 81 9.350 6.828 4.197 1.00 0.00 C ATOM 445 CG LYS A 81 10.757 7.375 4.029 1.00 0.00 C ATOM 446 CD LYS A 81 11.091 8.395 5.104 1.00 0.00 C ATOM 447 CE LYS A 81 12.569 8.752 5.095 1.00 0.00 C ATOM 448 NZ LYS A 81 12.848 9.981 5.887 1.00 0.00 N ATOM 0 H LYS A 81 8.879 9.733 3.742 1.00 0.00 H new ATOM 0 HA LYS A 81 8.450 7.862 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.151 6.681 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.291 5.848 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.474 6.555 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.854 7.836 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.497 9.296 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.818 7.997 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.146 7.920 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.901 8.899 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.719 10.429 5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.054 10.645 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.967 9.729 6.889 1.00 0.00 H new ATOM 462 N LEU A 82 5.845 7.881 3.614 1.00 0.00 N ATOM 463 CA LEU A 82 4.480 7.386 3.757 1.00 0.00 C ATOM 464 C LEU A 82 3.624 7.801 2.565 1.00 0.00 C ATOM 465 O LEU A 82 3.549 8.981 2.223 1.00 0.00 O ATOM 466 CB LEU A 82 3.859 7.909 5.053 1.00 0.00 C ATOM 467 CG LEU A 82 4.097 7.059 6.302 1.00 0.00 C ATOM 468 CD1 LEU A 82 3.828 7.872 7.559 1.00 0.00 C ATOM 469 CD2 LEU A 82 3.223 5.814 6.273 1.00 0.00 C ATOM 0 H LEU A 82 5.912 8.870 3.375 1.00 0.00 H new ATOM 0 HA LEU A 82 4.516 6.297 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.247 8.910 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.784 8.006 4.904 1.00 0.00 H new ATOM 0 HG LEU A 82 5.141 6.746 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.002 7.251 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.495 8.733 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.793 8.215 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.405 5.221 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.174 6.107 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.463 5.221 5.390 1.00 0.00 H new ATOM 481 N TRP A 83 2.977 6.824 1.939 1.00 0.00 N ATOM 482 CA TRP A 83 2.123 7.088 0.786 1.00 0.00 C ATOM 483 C TRP A 83 0.685 6.668 1.067 1.00 0.00 C ATOM 484 O TRP A 83 0.409 5.496 1.318 1.00 0.00 O ATOM 485 CB TRP A 83 2.652 6.352 -0.446 1.00 0.00 C ATOM 486 CG TRP A 83 2.618 4.860 -0.305 1.00 0.00 C ATOM 487 CD1 TRP A 83 3.566 4.070 0.280 1.00 0.00 C ATOM 488 CD2 TRP A 83 1.586 3.980 -0.762 1.00 0.00 C ATOM 489 NE1 TRP A 83 3.185 2.752 0.216 1.00 0.00 N ATOM 490 CE2 TRP A 83 1.974 2.670 -0.418 1.00 0.00 C ATOM 491 CE3 TRP A 83 0.371 4.170 -1.425 1.00 0.00 C ATOM 492 CZ2 TRP A 83 1.189 1.559 -0.717 1.00 0.00 C ATOM 493 CZ3 TRP A 83 -0.406 3.066 -1.722 1.00 0.00 C ATOM 494 CH2 TRP A 83 0.005 1.775 -1.368 1.00 0.00 C ATOM 0 H TRP A 83 3.027 5.842 2.210 1.00 0.00 H new ATOM 0 HA TRP A 83 2.137 8.161 0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 83 2.061 6.641 -1.315 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.677 6.669 -0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 83 4.481 4.429 0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 83 3.718 1.963 0.581 1.00 0.00 H new ATOM 0 HE3 TRP A 83 0.045 5.162 -1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.504 0.562 -0.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.346 3.201 -2.236 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -0.625 0.933 -1.614 1.00 0.00 H new ATOM 505 N ALA A 84 -0.228 7.633 1.022 1.00 0.00 N ATOM 506 CA ALA A 84 -1.639 7.362 1.270 1.00 0.00 C ATOM 507 C ALA A 84 -2.359 6.983 -0.020 1.00 0.00 C ATOM 508 O ALA A 84 -2.127 7.580 -1.071 1.00 0.00 O ATOM 509 CB ALA A 84 -2.304 8.570 1.913 1.00 0.00 C ATOM 0 H ALA A 84 -0.016 8.609 0.816 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.707 6.517 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.357 8.353 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.813 8.794 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.219 9.429 1.248 1.00 0.00 H new ATOM 515 N CYS A 85 -3.234 5.986 0.067 1.00 0.00 N ATOM 516 CA CYS A 85 -3.988 5.526 -1.093 1.00 0.00 C ATOM 517 C CYS A 85 -5.022 6.565 -1.516 1.00 0.00 C ATOM 518 O CYS A 85 -5.479 7.367 -0.703 1.00 0.00 O ATOM 519 CB CYS A 85 -4.680 4.197 -0.783 1.00 0.00 C ATOM 520 SG CYS A 85 -4.900 3.117 -2.233 1.00 0.00 S ATOM 0 H CYS A 85 -3.438 5.481 0.929 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.288 5.380 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.098 3.664 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -5.657 4.402 -0.344 1.00 0.00 H new ATOM 525 N ASN A 86 -5.386 6.542 -2.794 1.00 0.00 N ATOM 526 CA ASN A 86 -6.367 7.482 -3.326 1.00 0.00 C ATOM 527 C ASN A 86 -7.774 6.898 -3.256 1.00 0.00 C ATOM 528 O ASN A 86 -8.762 7.632 -3.220 1.00 0.00 O ATOM 529 CB ASN A 86 -6.024 7.844 -4.772 1.00 0.00 C ATOM 530 CG ASN A 86 -6.190 6.670 -5.717 1.00 0.00 C ATOM 531 OD1 ASN A 86 -5.735 5.562 -5.434 1.00 0.00 O ATOM 532 ND2 ASN A 86 -6.845 6.908 -6.848 1.00 0.00 N ATOM 0 H ASN A 86 -5.017 5.884 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.337 8.384 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.663 8.664 -5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.996 8.203 -4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.988 6.156 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.205 7.842 -7.042 1.00 0.00 H new ATOM 539 N PHE A 87 -7.858 5.572 -3.236 1.00 0.00 N ATOM 540 CA PHE A 87 -9.145 4.888 -3.170 1.00 0.00 C ATOM 541 C PHE A 87 -9.525 4.582 -1.725 1.00 0.00 C ATOM 542 O PHE A 87 -10.387 5.243 -1.144 1.00 0.00 O ATOM 543 CB PHE A 87 -9.099 3.592 -3.983 1.00 0.00 C ATOM 544 CG PHE A 87 -8.781 3.806 -5.435 1.00 0.00 C ATOM 545 CD1 PHE A 87 -9.711 4.385 -6.284 1.00 0.00 C ATOM 546 CD2 PHE A 87 -7.551 3.429 -5.951 1.00 0.00 C ATOM 547 CE1 PHE A 87 -9.420 4.582 -7.621 1.00 0.00 C ATOM 548 CE2 PHE A 87 -7.255 3.624 -7.287 1.00 0.00 C ATOM 549 CZ PHE A 87 -8.191 4.202 -8.123 1.00 0.00 C ATOM 0 H PHE A 87 -7.051 4.949 -3.265 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.902 5.548 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.352 2.927 -3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.061 3.087 -3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.673 4.686 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.815 2.978 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.154 5.033 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.293 3.325 -7.677 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.962 4.356 -9.167 1.00 0.00 H new ATOM 559 N CYS A 88 -8.876 3.575 -1.149 1.00 0.00 N ATOM 560 CA CYS A 88 -9.146 3.179 0.228 1.00 0.00 C ATOM 561 C CYS A 88 -8.777 4.298 1.198 1.00 0.00 C ATOM 562 O CYS A 88 -9.332 4.392 2.293 1.00 0.00 O ATOM 563 CB CYS A 88 -8.366 1.909 0.577 1.00 0.00 C ATOM 564 SG CYS A 88 -6.589 2.184 0.867 1.00 0.00 S ATOM 0 H CYS A 88 -8.159 3.018 -1.615 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.214 2.979 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -8.804 1.460 1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -8.484 1.189 -0.233 1.00 0.00 H new ATOM 569 N TYR A 89 -7.839 5.143 0.787 1.00 0.00 N ATOM 570 CA TYR A 89 -7.394 6.255 1.620 1.00 0.00 C ATOM 571 C TYR A 89 -6.790 5.749 2.926 1.00 0.00 C ATOM 572 O TYR A 89 -7.188 6.173 4.011 1.00 0.00 O ATOM 573 CB TYR A 89 -8.563 7.196 1.916 1.00 0.00 C ATOM 574 CG TYR A 89 -8.764 8.261 0.862 1.00 0.00 C ATOM 575 CD1 TYR A 89 -7.756 9.170 0.563 1.00 0.00 C ATOM 576 CD2 TYR A 89 -9.962 8.360 0.165 1.00 0.00 C ATOM 577 CE1 TYR A 89 -7.936 10.146 -0.399 1.00 0.00 C ATOM 578 CE2 TYR A 89 -10.150 9.331 -0.799 1.00 0.00 C ATOM 579 CZ TYR A 89 -9.134 10.221 -1.077 1.00 0.00 C ATOM 580 OH TYR A 89 -9.318 11.191 -2.036 1.00 0.00 O ATOM 0 H TYR A 89 -7.372 5.080 -0.117 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.625 6.802 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.477 6.609 2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.396 7.677 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.816 9.113 1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.760 7.665 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.143 10.846 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.087 9.393 -1.332 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.216 11.106 -2.419 1.00 0.00 H new ATOM 590 N GLN A 90 -5.826 4.841 2.813 1.00 0.00 N ATOM 591 CA GLN A 90 -5.166 4.277 3.984 1.00 0.00 C ATOM 592 C GLN A 90 -3.663 4.533 3.939 1.00 0.00 C ATOM 593 O GLN A 90 -2.983 4.127 2.996 1.00 0.00 O ATOM 594 CB GLN A 90 -5.438 2.775 4.075 1.00 0.00 C ATOM 595 CG GLN A 90 -4.553 2.056 5.081 1.00 0.00 C ATOM 596 CD GLN A 90 -4.807 2.504 6.507 1.00 0.00 C ATOM 597 OE1 GLN A 90 -5.820 2.149 7.110 1.00 0.00 O ATOM 598 NE2 GLN A 90 -3.887 3.290 7.054 1.00 0.00 N ATOM 0 H GLN A 90 -5.485 4.480 1.922 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.572 4.766 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.482 2.619 4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.293 2.328 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.723 0.982 5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.507 2.232 4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.062 3.560 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.005 3.624 8.011 1.00 0.00 H new ATOM 607 N ARG A 91 -3.151 5.208 4.962 1.00 0.00 N ATOM 608 CA ARG A 91 -1.729 5.519 5.038 1.00 0.00 C ATOM 609 C ARG A 91 -0.906 4.252 5.249 1.00 0.00 C ATOM 610 O ARG A 91 -1.068 3.554 6.249 1.00 0.00 O ATOM 611 CB ARG A 91 -1.461 6.509 6.173 1.00 0.00 C ATOM 612 CG ARG A 91 -1.564 7.965 5.748 1.00 0.00 C ATOM 613 CD ARG A 91 -2.018 8.850 6.899 1.00 0.00 C ATOM 614 NE ARG A 91 -2.575 10.116 6.429 1.00 0.00 N ATOM 615 CZ ARG A 91 -2.768 11.170 7.214 1.00 0.00 C ATOM 616 NH1 ARG A 91 -2.451 11.110 8.500 1.00 0.00 N ATOM 617 NH2 ARG A 91 -3.279 12.287 6.713 1.00 0.00 N ATOM 0 H ARG A 91 -3.700 5.550 5.750 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.431 5.972 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.170 6.324 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.465 6.326 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.596 8.308 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.267 8.055 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.767 8.321 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.173 9.048 7.559 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.830 10.195 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.058 10.253 8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.600 11.921 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.524 12.337 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.427 13.096 7.317 1.00 0.00 H new ATOM 631 N ASN A 92 -0.023 3.961 4.299 1.00 0.00 N ATOM 632 CA ASN A 92 0.825 2.777 4.381 1.00 0.00 C ATOM 633 C ASN A 92 2.295 3.148 4.212 1.00 0.00 C ATOM 634 O ASN A 92 2.626 4.110 3.519 1.00 0.00 O ATOM 635 CB ASN A 92 0.418 1.758 3.314 1.00 0.00 C ATOM 636 CG ASN A 92 -1.083 1.549 3.256 1.00 0.00 C ATOM 637 OD1 ASN A 92 -1.690 1.059 4.208 1.00 0.00 O ATOM 638 ND2 ASN A 92 -1.689 1.922 2.135 1.00 0.00 N ATOM 0 H ASN A 92 0.124 4.528 3.464 1.00 0.00 H new ATOM 0 HA ASN A 92 0.692 2.333 5.367 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.773 2.095 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.907 0.806 3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.698 1.807 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.146 2.324 1.371 1.00 0.00 H new ATOM 645 N GLN A 93 3.171 2.377 4.849 1.00 0.00 N ATOM 646 CA GLN A 93 4.606 2.626 4.769 1.00 0.00 C ATOM 647 C GLN A 93 5.206 1.954 3.538 1.00 0.00 C ATOM 648 O GLN A 93 4.782 0.868 3.142 1.00 0.00 O ATOM 649 CB GLN A 93 5.303 2.120 6.033 1.00 0.00 C ATOM 650 CG GLN A 93 5.209 3.082 7.206 1.00 0.00 C ATOM 651 CD GLN A 93 5.389 2.391 8.543 1.00 0.00 C ATOM 652 OE1 GLN A 93 4.424 2.173 9.277 1.00 0.00 O ATOM 653 NE2 GLN A 93 6.628 2.042 8.868 1.00 0.00 N ATOM 0 H GLN A 93 2.913 1.576 5.425 1.00 0.00 H new ATOM 0 HA GLN A 93 4.760 3.702 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.865 1.164 6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.354 1.935 5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.967 3.857 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.239 3.580 7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.398 2.242 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.810 1.574 9.756 1.00 0.00 H new ATOM 662 N PHE A 94 6.197 2.606 2.938 1.00 0.00 N ATOM 663 CA PHE A 94 6.855 2.072 1.752 1.00 0.00 C ATOM 664 C PHE A 94 7.372 0.659 2.006 1.00 0.00 C ATOM 665 O PHE A 94 7.795 0.314 3.110 1.00 0.00 O ATOM 666 CB PHE A 94 8.011 2.982 1.331 1.00 0.00 C ATOM 667 CG PHE A 94 7.577 4.159 0.506 1.00 0.00 C ATOM 668 CD1 PHE A 94 6.943 3.973 -0.712 1.00 0.00 C ATOM 669 CD2 PHE A 94 7.802 5.453 0.948 1.00 0.00 C ATOM 670 CE1 PHE A 94 6.543 5.054 -1.473 1.00 0.00 C ATOM 671 CE2 PHE A 94 7.404 6.539 0.191 1.00 0.00 C ATOM 672 CZ PHE A 94 6.773 6.339 -1.021 1.00 0.00 C ATOM 0 H PHE A 94 6.562 3.505 3.254 1.00 0.00 H new ATOM 0 HA PHE A 94 6.121 2.032 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.522 3.343 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.735 2.397 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.759 2.971 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.294 5.615 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.051 4.895 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.586 7.542 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.460 7.185 -1.614 1.00 0.00 H new ATOM 682 N PRO A 95 7.338 -0.181 0.961 1.00 0.00 N ATOM 683 CA PRO A 95 7.799 -1.569 1.045 1.00 0.00 C ATOM 684 C PRO A 95 9.313 -1.669 1.201 1.00 0.00 C ATOM 685 O PRO A 95 10.057 -0.745 0.875 1.00 0.00 O ATOM 686 CB PRO A 95 7.359 -2.171 -0.292 1.00 0.00 C ATOM 687 CG PRO A 95 7.279 -1.010 -1.222 1.00 0.00 C ATOM 688 CD PRO A 95 6.848 0.162 -0.385 1.00 0.00 C ATOM 0 HA PRO A 95 7.389 -2.082 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.074 -2.914 -0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.396 -2.673 -0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.244 -0.820 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.565 -1.201 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.283 1.094 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 95 5.765 0.289 -0.398 1.00 0.00 H new ATOM 696 N PRO A 96 9.781 -2.818 1.712 1.00 0.00 N ATOM 697 CA PRO A 96 11.210 -3.066 1.922 1.00 0.00 C ATOM 698 C PRO A 96 11.970 -3.226 0.609 1.00 0.00 C ATOM 699 O PRO A 96 13.128 -2.823 0.498 1.00 0.00 O ATOM 700 CB PRO A 96 11.231 -4.376 2.714 1.00 0.00 C ATOM 701 CG PRO A 96 9.957 -5.058 2.351 1.00 0.00 C ATOM 702 CD PRO A 96 8.951 -3.963 2.123 1.00 0.00 C ATOM 0 HA PRO A 96 11.696 -2.235 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.095 -4.985 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.289 -4.190 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.082 -5.666 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.632 -5.727 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.230 -4.234 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.383 -3.744 3.027 1.00 0.00 H new ATOM 710 N SER A 97 11.311 -3.816 -0.383 1.00 0.00 N ATOM 711 CA SER A 97 11.926 -4.032 -1.687 1.00 0.00 C ATOM 712 C SER A 97 11.591 -2.889 -2.642 1.00 0.00 C ATOM 713 O SER A 97 11.288 -3.113 -3.814 1.00 0.00 O ATOM 714 CB SER A 97 11.458 -5.362 -2.282 1.00 0.00 C ATOM 715 OG SER A 97 10.044 -5.457 -2.267 1.00 0.00 O ATOM 0 H SER A 97 10.351 -4.153 -0.308 1.00 0.00 H new ATOM 0 HA SER A 97 13.007 -4.064 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.821 -5.454 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.887 -6.189 -1.716 1.00 0.00 H new ATOM 0 HG SER A 97 9.770 -6.315 -2.654 1.00 0.00 H new ATOM 721 N TYR A 98 11.647 -1.665 -2.130 1.00 0.00 N ATOM 722 CA TYR A 98 11.347 -0.486 -2.935 1.00 0.00 C ATOM 723 C TYR A 98 12.617 0.086 -3.557 1.00 0.00 C ATOM 724 O TYR A 98 12.797 1.302 -3.621 1.00 0.00 O ATOM 725 CB TYR A 98 10.659 0.579 -2.080 1.00 0.00 C ATOM 726 CG TYR A 98 11.623 1.449 -1.306 1.00 0.00 C ATOM 727 CD1 TYR A 98 12.371 0.928 -0.256 1.00 0.00 C ATOM 728 CD2 TYR A 98 11.786 2.792 -1.622 1.00 0.00 C ATOM 729 CE1 TYR A 98 13.252 1.720 0.455 1.00 0.00 C ATOM 730 CE2 TYR A 98 12.667 3.591 -0.918 1.00 0.00 C ATOM 731 CZ TYR A 98 13.397 3.050 0.120 1.00 0.00 C ATOM 732 OH TYR A 98 14.274 3.842 0.825 1.00 0.00 O ATOM 0 H TYR A 98 11.897 -1.463 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 98 10.675 -0.787 -3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.049 1.212 -2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 98 9.982 0.089 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 98 12.261 -0.113 0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.214 3.219 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 98 13.824 1.300 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.783 4.633 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 98 14.257 4.752 0.462 1.00 0.00 H new ATOM 742 N ALA A 99 13.496 -0.800 -4.014 1.00 0.00 N ATOM 743 CA ALA A 99 14.748 -0.384 -4.633 1.00 0.00 C ATOM 744 C ALA A 99 14.586 -0.216 -6.140 1.00 0.00 C ATOM 745 O ALA A 99 14.929 0.825 -6.698 1.00 0.00 O ATOM 746 CB ALA A 99 15.848 -1.391 -4.328 1.00 0.00 C ATOM 0 H ALA A 99 13.364 -1.810 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 99 15.028 0.582 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 99 16.777 -1.068 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 99 15.990 -1.459 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 99 15.565 -2.368 -4.719 1.00 0.00 H new ATOM 752 N GLY A 100 14.061 -1.248 -6.793 1.00 0.00 N ATOM 753 CA GLY A 100 13.864 -1.194 -8.230 1.00 0.00 C ATOM 754 C GLY A 100 12.423 -0.916 -8.607 1.00 0.00 C ATOM 755 O GLY A 100 11.860 -1.588 -9.472 1.00 0.00 O ATOM 0 H GLY A 100 13.769 -2.120 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.503 -0.419 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.176 -2.140 -8.672 1.00 0.00 H new ATOM 759 N ILE A 101 11.823 0.075 -7.956 1.00 0.00 N ATOM 760 CA ILE A 101 10.438 0.439 -8.228 1.00 0.00 C ATOM 761 C ILE A 101 10.337 1.342 -9.452 1.00 0.00 C ATOM 762 O ILE A 101 11.130 2.269 -9.620 1.00 0.00 O ATOM 763 CB ILE A 101 9.796 1.151 -7.023 1.00 0.00 C ATOM 764 CG1 ILE A 101 9.941 0.298 -5.762 1.00 0.00 C ATOM 765 CG2 ILE A 101 8.330 1.448 -7.303 1.00 0.00 C ATOM 766 CD1 ILE A 101 9.114 -0.968 -5.790 1.00 0.00 C ATOM 0 H ILE A 101 12.274 0.640 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 101 9.900 -0.489 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 101 10.314 2.096 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.990 0.034 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.651 0.893 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.890 1.951 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.250 2.091 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.799 0.515 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.266 -1.523 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.059 -0.712 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.419 -1.583 -6.636 1.00 0.00 H new ATOM 778 N SER A 102 9.355 1.068 -10.305 1.00 0.00 N ATOM 779 CA SER A 102 9.151 1.855 -11.515 1.00 0.00 C ATOM 780 C SER A 102 8.376 3.133 -11.208 1.00 0.00 C ATOM 781 O SER A 102 8.791 4.228 -11.584 1.00 0.00 O ATOM 782 CB SER A 102 8.402 1.031 -12.565 1.00 0.00 C ATOM 783 OG SER A 102 9.044 -0.212 -12.790 1.00 0.00 O ATOM 0 H SER A 102 8.688 0.306 -10.180 1.00 0.00 H new ATOM 0 HA SER A 102 10.129 2.130 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.377 0.860 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.347 1.590 -13.499 1.00 0.00 H new ATOM 0 HG SER A 102 8.546 -0.720 -13.463 1.00 0.00 H new ATOM 789 N GLU A 103 7.247 2.982 -10.522 1.00 0.00 N ATOM 790 CA GLU A 103 6.414 4.124 -10.165 1.00 0.00 C ATOM 791 C GLU A 103 7.218 5.164 -9.391 1.00 0.00 C ATOM 792 O GLU A 103 7.110 6.365 -9.644 1.00 0.00 O ATOM 793 CB GLU A 103 5.215 3.668 -9.331 1.00 0.00 C ATOM 794 CG GLU A 103 4.193 2.868 -10.122 1.00 0.00 C ATOM 795 CD GLU A 103 4.805 1.671 -10.823 1.00 0.00 C ATOM 796 OE1 GLU A 103 5.375 0.804 -10.127 1.00 0.00 O ATOM 797 OE2 GLU A 103 4.715 1.601 -12.067 1.00 0.00 O ATOM 0 H GLU A 103 6.889 2.082 -10.203 1.00 0.00 H new ATOM 0 HA GLU A 103 6.055 4.580 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.572 3.063 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.727 4.543 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.405 2.527 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.723 3.516 -10.862 1.00 0.00 H new ATOM 804 N LEU A 104 8.025 4.696 -8.445 1.00 0.00 N ATOM 805 CA LEU A 104 8.849 5.585 -7.633 1.00 0.00 C ATOM 806 C LEU A 104 10.167 5.897 -8.333 1.00 0.00 C ATOM 807 O LEU A 104 10.732 5.049 -9.022 1.00 0.00 O ATOM 808 CB LEU A 104 9.122 4.952 -6.267 1.00 0.00 C ATOM 809 CG LEU A 104 7.890 4.596 -5.434 1.00 0.00 C ATOM 810 CD1 LEU A 104 8.237 3.547 -4.389 1.00 0.00 C ATOM 811 CD2 LEU A 104 7.315 5.841 -4.773 1.00 0.00 C ATOM 0 H LEU A 104 8.126 3.706 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 104 8.304 6.518 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.707 4.045 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.741 5.637 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 104 7.133 4.180 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.348 3.306 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.601 2.647 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.011 3.935 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.439 5.569 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.066 6.287 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.028 6.560 -5.540 1.00 0.00 H new ATOM 823 N ASN A 105 10.653 7.121 -8.151 1.00 0.00 N ATOM 824 CA ASN A 105 11.906 7.545 -8.764 1.00 0.00 C ATOM 825 C ASN A 105 13.080 7.318 -7.816 1.00 0.00 C ATOM 826 O ASN A 105 13.102 7.843 -6.704 1.00 0.00 O ATOM 827 CB ASN A 105 11.831 9.023 -9.156 1.00 0.00 C ATOM 828 CG ASN A 105 10.868 9.269 -10.301 1.00 0.00 C ATOM 829 OD1 ASN A 105 11.131 8.886 -11.441 1.00 0.00 O ATOM 830 ND2 ASN A 105 9.745 9.911 -10.001 1.00 0.00 N ATOM 0 H ASN A 105 10.198 7.836 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 105 12.065 6.945 -9.660 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.521 9.610 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 105 12.824 9.372 -9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.058 10.105 -10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.569 10.210 -9.042 1.00 0.00 H new ATOM 837 N GLN A 106 14.053 6.533 -8.267 1.00 0.00 N ATOM 838 CA GLN A 106 15.230 6.236 -7.459 1.00 0.00 C ATOM 839 C GLN A 106 16.196 7.416 -7.451 1.00 0.00 C ATOM 840 O GLN A 106 16.699 7.845 -8.489 1.00 0.00 O ATOM 841 CB GLN A 106 15.936 4.986 -7.988 1.00 0.00 C ATOM 842 CG GLN A 106 16.970 4.419 -7.028 1.00 0.00 C ATOM 843 CD GLN A 106 16.374 4.038 -5.688 1.00 0.00 C ATOM 844 OE1 GLN A 106 15.299 3.440 -5.620 1.00 0.00 O ATOM 845 NE2 GLN A 106 17.070 4.382 -4.610 1.00 0.00 N ATOM 0 H GLN A 106 14.050 6.092 -9.187 1.00 0.00 H new ATOM 0 HA GLN A 106 14.901 6.053 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.190 4.220 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.423 5.226 -8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.435 3.541 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.760 5.155 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.956 4.877 -4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.718 4.151 -3.681 1.00 0.00 H new ATOM 854 N PRO A 107 16.463 7.954 -6.252 1.00 0.00 N ATOM 855 CA PRO A 107 17.372 9.092 -6.080 1.00 0.00 C ATOM 856 C PRO A 107 18.826 8.718 -6.345 1.00 0.00 C ATOM 857 O PRO A 107 19.209 7.555 -6.224 1.00 0.00 O ATOM 858 CB PRO A 107 17.178 9.481 -4.612 1.00 0.00 C ATOM 859 CG PRO A 107 16.716 8.231 -3.946 1.00 0.00 C ATOM 860 CD PRO A 107 15.900 7.494 -4.972 1.00 0.00 C ATOM 0 HA PRO A 107 17.154 9.898 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 107 18.107 9.843 -4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 107 16.444 10.280 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 107 17.562 7.629 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.120 8.457 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.992 6.414 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 107 14.840 7.734 -4.890 1.00 0.00 H new ATOM 868 N ALA A 108 19.631 9.712 -6.705 1.00 0.00 N ATOM 869 CA ALA A 108 21.044 9.487 -6.985 1.00 0.00 C ATOM 870 C ALA A 108 21.915 10.517 -6.274 1.00 0.00 C ATOM 871 O ALA A 108 23.117 10.604 -6.521 1.00 0.00 O ATOM 872 CB ALA A 108 21.298 9.523 -8.484 1.00 0.00 C ATOM 0 H ALA A 108 19.329 10.681 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 108 21.311 8.500 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 108 22.357 9.354 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 108 20.711 8.745 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 108 21.008 10.497 -8.879 1.00 0.00 H new TER 878 ALA A 108 HETATM 879 ZN ZN A 200 -5.614 1.233 -1.048 1.00 0.00 ZN