USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 56 ASN : amide:sc= -2.2 K(o=-3.7,f=-4.6!) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 GLN : amide:sc= -2.66 K(o=-3.7,f=-12!) USER MOD Set 1.4: A 70 TYR OH : rot -87:sc= 1.13 USER MOD Set 2.1: A 12 THR OG1 : rot -9:sc= 0.202 USER MOD Set 2.2: A 21 GLN : amide:sc= -2.66 K(o=-2.5,f=-0.8) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -125:sc= 0.00302 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 22 SER OG : rot 96:sc= 0.0375 USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.00818 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0786) USER MOD Single : A 34 GLN : amide:sc= -0.65 K(o=-0.65,f=-0.08) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.457 USER MOD Single : A 36 GLN : amide:sc=-0.00386 X(o=-0.0039,f=0) USER MOD Single : A 41 SER OG : rot 57:sc= -0.792 USER MOD Single : A 42 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.39) USER MOD Single : A 44 ASN : amide:sc= -0.892 K(o=-0.89,f=-5.8!) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.754 (180deg=-0.754) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot 160:sc= -0.867 USER MOD Single : A 74 TYR OH : rot 36:sc= -0.44 USER MOD Single : A 83 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.014) USER MOD Single : A 84 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 10.122 1.443 -1.164 1.00 0.00 N ATOM 39 CA LEU A 4 8.730 1.030 -1.027 1.00 0.00 C ATOM 40 C LEU A 4 8.051 1.775 0.118 1.00 0.00 C ATOM 41 O LEU A 4 8.409 1.601 1.284 1.00 0.00 O ATOM 42 CB LEU A 4 8.645 -0.480 -0.793 1.00 0.00 C ATOM 43 CG LEU A 4 7.506 -1.187 -1.530 1.00 0.00 C ATOM 44 CD1 LEU A 4 7.468 -2.662 -1.164 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.174 -0.523 -1.214 1.00 0.00 C ATOM 0 HA LEU A 4 8.211 1.276 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.589 -0.933 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.533 -0.661 0.276 1.00 0.00 H new ATOM 0 HG LEU A 4 7.686 -1.104 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.652 -3.148 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.413 -3.130 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.313 -2.767 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.375 -1.039 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.987 -0.574 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.204 0.521 -1.527 1.00 0.00 H new ATOM 57 N ARG A 5 7.071 2.606 -0.221 1.00 0.00 N ATOM 58 CA ARG A 5 6.342 3.379 0.779 1.00 0.00 C ATOM 59 C ARG A 5 4.845 3.098 0.701 1.00 0.00 C ATOM 60 O ARG A 5 4.140 3.661 -0.136 1.00 0.00 O ATOM 61 CB ARG A 5 6.602 4.874 0.588 1.00 0.00 C ATOM 62 CG ARG A 5 6.259 5.379 -0.804 1.00 0.00 C ATOM 63 CD ARG A 5 6.944 6.703 -1.100 1.00 0.00 C ATOM 64 NE ARG A 5 8.397 6.566 -1.166 1.00 0.00 N ATOM 65 CZ ARG A 5 9.239 7.596 -1.164 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.779 8.839 -1.097 1.00 0.00 N ATOM 67 NH2 ARG A 5 10.547 7.383 -1.227 1.00 0.00 N ATOM 0 H ARG A 5 6.763 2.762 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 5 6.699 3.078 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.020 5.432 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.653 5.080 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.560 4.639 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.179 5.499 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.574 7.099 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.683 7.427 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 5 8.789 5.626 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.775 9.009 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.430 9.624 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.907 6.430 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.193 8.172 -1.226 1.00 0.00 H new ATOM 81 N VAL A 6 4.365 2.225 1.580 1.00 0.00 N ATOM 82 CA VAL A 6 2.951 1.871 1.612 1.00 0.00 C ATOM 83 C VAL A 6 2.144 2.920 2.368 1.00 0.00 C ATOM 84 O VAL A 6 2.528 3.347 3.457 1.00 0.00 O ATOM 85 CB VAL A 6 2.729 0.498 2.272 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.283 0.055 2.112 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.680 -0.536 1.688 1.00 0.00 C ATOM 0 H VAL A 6 4.935 1.749 2.280 1.00 0.00 H new ATOM 0 HA VAL A 6 2.612 1.826 0.577 1.00 0.00 H new ATOM 0 HB VAL A 6 2.940 0.590 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.146 -0.917 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.625 0.784 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.041 -0.020 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.508 -1.500 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.505 -0.627 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.709 -0.223 1.862 1.00 0.00 H new ATOM 97 N TYR A 7 1.024 3.333 1.784 1.00 0.00 N ATOM 98 CA TYR A 7 0.165 4.335 2.405 1.00 0.00 C ATOM 99 C TYR A 7 -0.866 3.681 3.316 1.00 0.00 C ATOM 100 O TYR A 7 -1.345 2.580 3.042 1.00 0.00 O ATOM 101 CB TYR A 7 -0.540 5.170 1.334 1.00 0.00 C ATOM 102 CG TYR A 7 0.313 6.285 0.771 1.00 0.00 C ATOM 103 CD1 TYR A 7 1.131 6.071 -0.331 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.299 7.552 1.342 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.911 7.088 -0.849 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.075 8.573 0.830 1.00 0.00 C ATOM 107 CZ TYR A 7 1.879 8.337 -0.265 1.00 0.00 C ATOM 108 OH TYR A 7 2.654 9.352 -0.778 1.00 0.00 O ATOM 0 H TYR A 7 0.690 2.990 0.883 1.00 0.00 H new ATOM 0 HA TYR A 7 0.794 4.989 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.848 4.514 0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.447 5.599 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.158 5.094 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.329 7.741 2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.542 6.905 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.052 9.552 1.285 1.00 0.00 H new ATOM 0 HH TYR A 7 2.515 10.167 -0.253 1.00 0.00 H new ATOM 118 N SER A 8 -1.204 4.369 4.401 1.00 0.00 N ATOM 119 CA SER A 8 -2.180 3.862 5.358 1.00 0.00 C ATOM 120 C SER A 8 -2.777 5.000 6.180 1.00 0.00 C ATOM 121 O SER A 8 -2.424 6.164 5.994 1.00 0.00 O ATOM 122 CB SER A 8 -1.530 2.831 6.284 1.00 0.00 C ATOM 123 OG SER A 8 -2.342 1.677 6.413 1.00 0.00 O ATOM 0 H SER A 8 -0.815 5.281 4.640 1.00 0.00 H new ATOM 0 HA SER A 8 -2.984 3.381 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.553 2.550 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.363 3.274 7.266 1.00 0.00 H new ATOM 0 HG SER A 8 -1.904 1.033 7.008 1.00 0.00 H new ATOM 129 N THR A 9 -3.683 4.656 7.089 1.00 0.00 N ATOM 130 CA THR A 9 -4.328 5.650 7.939 1.00 0.00 C ATOM 131 C THR A 9 -4.213 5.263 9.410 1.00 0.00 C ATOM 132 O THR A 9 -4.937 4.391 9.892 1.00 0.00 O ATOM 133 CB THR A 9 -5.799 5.806 7.554 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.452 6.715 8.422 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.569 4.504 7.590 1.00 0.00 C ATOM 0 H THR A 9 -3.987 3.697 7.256 1.00 0.00 H new ATOM 0 HA THR A 9 -3.820 6.603 7.791 1.00 0.00 H new ATOM 0 HB THR A 9 -5.790 6.176 6.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.392 6.802 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.606 4.686 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.121 3.797 6.892 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.536 4.090 8.598 1.00 0.00 H new ATOM 143 N SER A 10 -3.297 5.915 10.118 1.00 0.00 N ATOM 144 CA SER A 10 -3.085 5.639 11.534 1.00 0.00 C ATOM 145 C SER A 10 -4.337 5.954 12.347 1.00 0.00 C ATOM 146 O SER A 10 -4.925 5.069 12.968 1.00 0.00 O ATOM 147 CB SER A 10 -1.902 6.453 12.062 1.00 0.00 C ATOM 148 OG SER A 10 -0.694 5.720 11.966 1.00 0.00 O ATOM 0 H SER A 10 -2.689 6.639 9.734 1.00 0.00 H new ATOM 0 HA SER A 10 -2.864 4.577 11.641 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.814 7.381 11.496 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.082 6.729 13.101 1.00 0.00 H new ATOM 0 HG SER A 10 0.046 6.263 12.308 1.00 0.00 H new ATOM 154 N VAL A 11 -4.738 7.221 12.340 1.00 0.00 N ATOM 155 CA VAL A 11 -5.919 7.653 13.079 1.00 0.00 C ATOM 156 C VAL A 11 -7.165 6.899 12.622 1.00 0.00 C ATOM 157 O VAL A 11 -8.103 6.706 13.395 1.00 0.00 O ATOM 158 CB VAL A 11 -6.157 9.168 12.922 1.00 0.00 C ATOM 159 CG1 VAL A 11 -6.430 9.524 11.468 1.00 0.00 C ATOM 160 CG2 VAL A 11 -7.302 9.625 13.815 1.00 0.00 C ATOM 0 H VAL A 11 -4.263 7.966 11.831 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.733 7.430 14.130 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.252 9.690 13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.595 10.598 11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.574 9.238 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.317 8.992 11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.455 10.697 13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.213 9.094 13.539 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.059 9.412 14.856 1.00 0.00 H new ATOM 170 N THR A 12 -7.169 6.476 11.361 1.00 0.00 N ATOM 171 CA THR A 12 -8.301 5.744 10.803 1.00 0.00 C ATOM 172 C THR A 12 -9.555 6.612 10.789 1.00 0.00 C ATOM 173 O THR A 12 -9.771 7.422 11.691 1.00 0.00 O ATOM 174 CB THR A 12 -8.558 4.467 11.607 1.00 0.00 C ATOM 175 OG1 THR A 12 -7.389 3.671 11.671 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.666 3.611 11.033 1.00 0.00 C ATOM 0 H THR A 12 -6.401 6.628 10.707 1.00 0.00 H new ATOM 0 HA THR A 12 -8.056 5.474 9.776 1.00 0.00 H new ATOM 0 HB THR A 12 -8.860 4.806 12.598 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.711 4.037 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.796 2.722 11.650 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.595 4.181 11.017 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.406 3.312 10.017 1.00 0.00 H new ATOM 184 N GLY A 13 -10.377 6.440 9.759 1.00 0.00 N ATOM 185 CA GLY A 13 -11.599 7.217 9.646 1.00 0.00 C ATOM 186 C GLY A 13 -12.840 6.348 9.590 1.00 0.00 C ATOM 187 O GLY A 13 -13.792 6.565 10.339 1.00 0.00 O ATOM 0 H GLY A 13 -10.219 5.777 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.673 7.896 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.551 7.834 8.749 1.00 0.00 H new ATOM 191 N SER A 14 -12.831 5.362 8.697 1.00 0.00 N ATOM 192 CA SER A 14 -13.967 4.460 8.545 1.00 0.00 C ATOM 193 C SER A 14 -13.849 3.267 9.489 1.00 0.00 C ATOM 194 O SER A 14 -12.976 3.232 10.356 1.00 0.00 O ATOM 195 CB SER A 14 -14.069 3.976 7.097 1.00 0.00 C ATOM 196 OG SER A 14 -15.359 4.224 6.565 1.00 0.00 O ATOM 0 H SER A 14 -12.051 5.168 8.069 1.00 0.00 H new ATOM 0 HA SER A 14 -14.872 5.010 8.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.318 4.480 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.852 2.909 7.051 1.00 0.00 H new ATOM 0 HG SER A 14 -15.738 3.388 6.223 1.00 0.00 H new ATOM 202 N ARG A 15 -14.734 2.291 9.312 1.00 0.00 N ATOM 203 CA ARG A 15 -14.732 1.092 10.148 1.00 0.00 C ATOM 204 C ARG A 15 -14.306 -0.135 9.363 1.00 0.00 C ATOM 205 O ARG A 15 -13.997 -1.185 9.927 1.00 0.00 O ATOM 206 CB ARG A 15 -16.116 0.866 10.748 1.00 0.00 C ATOM 207 CG ARG A 15 -16.110 -0.016 11.986 1.00 0.00 C ATOM 208 CD ARG A 15 -16.630 -1.412 11.682 1.00 0.00 C ATOM 209 NE ARG A 15 -17.481 -1.925 12.753 1.00 0.00 N ATOM 210 CZ ARG A 15 -17.770 -3.213 12.920 1.00 0.00 C ATOM 211 NH1 ARG A 15 -17.278 -4.123 12.088 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.551 -3.594 13.921 1.00 0.00 N ATOM 0 H ARG A 15 -15.462 2.305 8.598 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.009 1.249 10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.554 1.831 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.760 0.413 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.096 -0.083 12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.725 0.441 12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.193 -1.394 10.749 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.788 -2.088 11.533 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.877 -1.255 13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.676 -3.836 11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.502 -5.109 12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.931 -2.900 14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.772 -4.582 14.048 1.00 0.00 H new ATOM 226 N GLU A 16 -14.288 0.023 8.063 1.00 0.00 N ATOM 227 CA GLU A 16 -13.896 -1.044 7.151 1.00 0.00 C ATOM 228 C GLU A 16 -12.456 -0.850 6.694 1.00 0.00 C ATOM 229 O GLU A 16 -11.742 -1.815 6.421 1.00 0.00 O ATOM 230 CB GLU A 16 -14.830 -1.079 5.939 1.00 0.00 C ATOM 231 CG GLU A 16 -16.300 -0.946 6.299 1.00 0.00 C ATOM 232 CD GLU A 16 -16.734 0.499 6.451 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.548 1.279 5.494 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.260 0.850 7.528 1.00 0.00 O ATOM 0 H GLU A 16 -14.544 0.894 7.598 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.971 -1.994 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.557 -0.273 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.679 -2.015 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.904 -1.424 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.492 -1.479 7.230 1.00 0.00 H new ATOM 241 N ILE A 17 -12.035 0.409 6.619 1.00 0.00 N ATOM 242 CA ILE A 17 -10.679 0.743 6.203 1.00 0.00 C ATOM 243 C ILE A 17 -9.652 0.042 7.087 1.00 0.00 C ATOM 244 O ILE A 17 -8.561 -0.304 6.633 1.00 0.00 O ATOM 245 CB ILE A 17 -10.442 2.266 6.254 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.456 2.990 5.366 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.021 2.605 5.824 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.313 2.665 3.895 1.00 0.00 C ATOM 0 H ILE A 17 -12.617 1.217 6.842 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.560 0.401 5.175 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.576 2.601 7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.463 2.729 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.345 4.065 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.875 3.684 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.312 2.116 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.857 2.257 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.064 3.214 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.318 2.952 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.454 1.595 3.743 1.00 0.00 H new ATOM 260 N LYS A 18 -10.011 -0.168 8.349 1.00 0.00 N ATOM 261 CA LYS A 18 -9.124 -0.832 9.295 1.00 0.00 C ATOM 262 C LYS A 18 -8.914 -2.291 8.903 1.00 0.00 C ATOM 263 O LYS A 18 -7.860 -2.870 9.166 1.00 0.00 O ATOM 264 CB LYS A 18 -9.698 -0.749 10.711 1.00 0.00 C ATOM 265 CG LYS A 18 -10.131 0.651 11.111 1.00 0.00 C ATOM 266 CD LYS A 18 -11.382 0.623 11.974 1.00 0.00 C ATOM 267 CE LYS A 18 -11.044 0.747 13.451 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.265 0.758 14.302 1.00 0.00 N ATOM 0 H LYS A 18 -10.910 0.112 8.740 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.160 -0.323 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.553 -1.420 10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.949 -1.105 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.324 1.141 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.318 1.244 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.045 1.438 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.924 -0.307 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.403 -0.083 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.477 1.663 13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.991 0.844 15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.865 1.565 14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.793 -0.127 14.163 1.00 0.00 H new ATOM 282 N SER A 19 -9.926 -2.879 8.272 1.00 0.00 N ATOM 283 CA SER A 19 -9.853 -4.270 7.842 1.00 0.00 C ATOM 284 C SER A 19 -8.921 -4.423 6.643 1.00 0.00 C ATOM 285 O SER A 19 -8.303 -5.471 6.455 1.00 0.00 O ATOM 286 CB SER A 19 -11.247 -4.791 7.488 1.00 0.00 C ATOM 287 OG SER A 19 -11.329 -6.194 7.667 1.00 0.00 O ATOM 0 H SER A 19 -10.805 -2.414 8.048 1.00 0.00 H new ATOM 0 HA SER A 19 -9.452 -4.857 8.668 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.992 -4.298 8.112 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.481 -4.539 6.454 1.00 0.00 H new ATOM 0 HG SER A 19 -12.230 -6.501 7.435 1.00 0.00 H new ATOM 293 N GLN A 20 -8.824 -3.371 5.836 1.00 0.00 N ATOM 294 CA GLN A 20 -7.968 -3.389 4.655 1.00 0.00 C ATOM 295 C GLN A 20 -6.508 -3.169 5.037 1.00 0.00 C ATOM 296 O GLN A 20 -5.633 -3.947 4.658 1.00 0.00 O ATOM 297 CB GLN A 20 -8.414 -2.317 3.660 1.00 0.00 C ATOM 298 CG GLN A 20 -9.459 -2.804 2.669 1.00 0.00 C ATOM 299 CD GLN A 20 -10.845 -2.268 2.971 1.00 0.00 C ATOM 300 OE1 GLN A 20 -11.250 -1.230 2.448 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.580 -2.976 3.821 1.00 0.00 N ATOM 0 H GLN A 20 -9.328 -2.495 5.978 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.058 -4.369 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.816 -1.467 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.544 -1.958 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.168 -2.502 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.485 -3.894 2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.204 -3.831 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.521 -2.665 4.064 1.00 0.00 H new ATOM 310 N GLN A 21 -6.251 -2.104 5.789 1.00 0.00 N ATOM 311 CA GLN A 21 -4.896 -1.781 6.221 1.00 0.00 C ATOM 312 C GLN A 21 -4.288 -2.930 7.019 1.00 0.00 C ATOM 313 O GLN A 21 -3.084 -3.177 6.951 1.00 0.00 O ATOM 314 CB GLN A 21 -4.898 -0.505 7.065 1.00 0.00 C ATOM 315 CG GLN A 21 -5.666 -0.639 8.369 1.00 0.00 C ATOM 316 CD GLN A 21 -5.771 0.674 9.121 1.00 0.00 C ATOM 317 OE1 GLN A 21 -4.973 0.956 10.015 1.00 0.00 O ATOM 318 NE2 GLN A 21 -6.760 1.484 8.762 1.00 0.00 N ATOM 0 H GLN A 21 -6.964 -1.450 6.112 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.288 -1.620 5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.868 -0.225 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.331 0.307 6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.668 -1.015 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.174 -1.378 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.398 1.210 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.881 2.381 9.233 1.00 0.00 H new ATOM 327 N SER A 22 -5.129 -3.630 7.774 1.00 0.00 N ATOM 328 CA SER A 22 -4.673 -4.753 8.585 1.00 0.00 C ATOM 329 C SER A 22 -4.201 -5.904 7.703 1.00 0.00 C ATOM 330 O SER A 22 -3.122 -6.458 7.914 1.00 0.00 O ATOM 331 CB SER A 22 -5.795 -5.229 9.509 1.00 0.00 C ATOM 332 OG SER A 22 -5.777 -4.526 10.739 1.00 0.00 O ATOM 0 H SER A 22 -6.129 -3.439 7.841 1.00 0.00 H new ATOM 0 HA SER A 22 -3.832 -4.415 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.758 -5.086 9.019 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.687 -6.297 9.696 1.00 0.00 H new ATOM 0 HG SER A 22 -6.414 -3.783 10.700 1.00 0.00 H new ATOM 338 N GLU A 23 -5.016 -6.260 6.716 1.00 0.00 N ATOM 339 CA GLU A 23 -4.682 -7.347 5.802 1.00 0.00 C ATOM 340 C GLU A 23 -3.377 -7.060 5.065 1.00 0.00 C ATOM 341 O GLU A 23 -2.557 -7.955 4.863 1.00 0.00 O ATOM 342 CB GLU A 23 -5.814 -7.561 4.795 1.00 0.00 C ATOM 343 CG GLU A 23 -6.055 -9.022 4.453 1.00 0.00 C ATOM 344 CD GLU A 23 -6.701 -9.203 3.093 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.074 -8.820 2.083 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.833 -9.728 3.038 1.00 0.00 O ATOM 0 H GLU A 23 -5.913 -5.812 6.528 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.552 -8.255 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.733 -7.134 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.583 -7.015 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.106 -9.558 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.692 -9.470 5.216 1.00 0.00 H new ATOM 353 N VAL A 24 -3.192 -5.806 4.666 1.00 0.00 N ATOM 354 CA VAL A 24 -1.987 -5.402 3.951 1.00 0.00 C ATOM 355 C VAL A 24 -0.748 -5.573 4.823 1.00 0.00 C ATOM 356 O VAL A 24 0.154 -6.343 4.494 1.00 0.00 O ATOM 357 CB VAL A 24 -2.075 -3.936 3.483 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.884 -3.582 2.606 1.00 0.00 C ATOM 359 CG2 VAL A 24 -3.382 -3.686 2.745 1.00 0.00 C ATOM 0 H VAL A 24 -3.861 -5.052 4.826 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.905 -6.049 3.078 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.053 -3.293 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.964 -2.543 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.038 -3.717 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.871 -4.232 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.425 -2.646 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.438 -4.338 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.221 -3.895 3.409 1.00 0.00 H new ATOM 369 N THR A 25 -0.710 -4.848 5.937 1.00 0.00 N ATOM 370 CA THR A 25 0.419 -4.919 6.857 1.00 0.00 C ATOM 371 C THR A 25 0.594 -6.335 7.397 1.00 0.00 C ATOM 372 O THR A 25 1.706 -6.751 7.724 1.00 0.00 O ATOM 373 CB THR A 25 0.222 -3.938 8.014 1.00 0.00 C ATOM 374 OG1 THR A 25 0.070 -2.614 7.530 1.00 0.00 O ATOM 375 CG2 THR A 25 1.371 -3.935 9.000 1.00 0.00 C ATOM 0 H THR A 25 -1.448 -4.205 6.224 1.00 0.00 H new ATOM 0 HA THR A 25 1.321 -4.647 6.309 1.00 0.00 H new ATOM 0 HB THR A 25 -0.677 -4.277 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.856 -2.476 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.167 -3.217 9.795 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.484 -4.930 9.430 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.291 -3.655 8.486 1.00 0.00 H new ATOM 383 N ARG A 26 -0.509 -7.072 7.489 1.00 0.00 N ATOM 384 CA ARG A 26 -0.473 -8.441 7.990 1.00 0.00 C ATOM 385 C ARG A 26 0.460 -9.305 7.147 1.00 0.00 C ATOM 386 O ARG A 26 1.358 -9.962 7.674 1.00 0.00 O ATOM 387 CB ARG A 26 -1.881 -9.042 7.994 1.00 0.00 C ATOM 388 CG ARG A 26 -2.568 -8.971 9.348 1.00 0.00 C ATOM 389 CD ARG A 26 -3.842 -9.801 9.371 1.00 0.00 C ATOM 390 NE ARG A 26 -3.631 -11.141 8.829 1.00 0.00 N ATOM 391 CZ ARG A 26 -3.007 -12.117 9.485 1.00 0.00 C ATOM 392 NH1 ARG A 26 -2.532 -11.906 10.707 1.00 0.00 N ATOM 393 NH2 ARG A 26 -2.858 -13.307 8.919 1.00 0.00 N ATOM 0 H ARG A 26 -1.438 -6.744 7.223 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.093 -8.418 9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.492 -8.520 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.823 -10.084 7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.887 -9.326 10.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.804 -7.933 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.207 -9.877 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.616 -9.294 8.794 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.983 -11.341 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.645 -10.993 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.055 -12.657 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.222 -13.475 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.380 -14.055 9.422 1.00 0.00 H new ATOM 407 N ILE A 27 0.243 -9.299 5.836 1.00 0.00 N ATOM 408 CA ILE A 27 1.065 -10.081 4.922 1.00 0.00 C ATOM 409 C ILE A 27 2.519 -9.621 4.964 1.00 0.00 C ATOM 410 O ILE A 27 3.433 -10.431 5.117 1.00 0.00 O ATOM 411 CB ILE A 27 0.548 -9.982 3.473 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.953 -10.276 3.420 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.314 -10.938 2.568 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.724 -9.322 2.533 1.00 0.00 C ATOM 0 H ILE A 27 -0.496 -8.761 5.383 1.00 0.00 H new ATOM 0 HA ILE A 27 1.003 -11.119 5.250 1.00 0.00 H new ATOM 0 HB ILE A 27 0.712 -8.965 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.103 -11.294 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.360 -10.230 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.936 -10.855 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.374 -10.684 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.181 -11.960 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.781 -9.590 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.604 -8.304 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.343 -9.385 1.514 1.00 0.00 H new ATOM 426 N LEU A 28 2.724 -8.315 4.829 1.00 0.00 N ATOM 427 CA LEU A 28 4.067 -7.744 4.853 1.00 0.00 C ATOM 428 C LEU A 28 4.764 -8.052 6.174 1.00 0.00 C ATOM 429 O LEU A 28 5.926 -8.463 6.196 1.00 0.00 O ATOM 430 CB LEU A 28 4.002 -6.232 4.639 1.00 0.00 C ATOM 431 CG LEU A 28 3.447 -5.791 3.282 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.511 -4.604 3.446 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.581 -5.449 2.328 1.00 0.00 C ATOM 0 H LEU A 28 1.978 -7.631 4.702 1.00 0.00 H new ATOM 0 HA LEU A 28 4.643 -8.195 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.386 -5.796 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.005 -5.821 4.755 1.00 0.00 H new ATOM 0 HG LEU A 28 2.879 -6.619 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.127 -4.306 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.680 -4.883 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.054 -3.771 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.168 -5.138 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.177 -4.638 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.212 -6.326 2.184 1.00 0.00 H new ATOM 445 N ASP A 29 4.045 -7.852 7.274 1.00 0.00 N ATOM 446 CA ASP A 29 4.587 -8.109 8.602 1.00 0.00 C ATOM 447 C ASP A 29 5.032 -9.562 8.728 1.00 0.00 C ATOM 448 O ASP A 29 6.160 -9.843 9.133 1.00 0.00 O ATOM 449 CB ASP A 29 3.544 -7.787 9.675 1.00 0.00 C ATOM 450 CG ASP A 29 4.113 -7.869 11.078 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.306 -7.546 11.255 1.00 0.00 O ATOM 452 OD2 ASP A 29 3.364 -8.257 11.999 1.00 0.00 O ATOM 0 H ASP A 29 3.083 -7.512 7.271 1.00 0.00 H new ATOM 0 HA ASP A 29 5.454 -7.464 8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.148 -6.786 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.708 -8.480 9.584 1.00 0.00 H new ATOM 457 N GLY A 30 4.140 -10.481 8.369 1.00 0.00 N ATOM 458 CA GLY A 30 4.465 -11.893 8.441 1.00 0.00 C ATOM 459 C GLY A 30 5.676 -12.240 7.598 1.00 0.00 C ATOM 460 O GLY A 30 6.425 -13.162 7.920 1.00 0.00 O ATOM 0 H GLY A 30 3.201 -10.273 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.654 -12.169 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.610 -12.480 8.106 1.00 0.00 H new ATOM 464 N LYS A 31 5.870 -11.488 6.519 1.00 0.00 N ATOM 465 CA LYS A 31 7.001 -11.707 5.625 1.00 0.00 C ATOM 466 C LYS A 31 8.290 -11.152 6.227 1.00 0.00 C ATOM 467 O LYS A 31 9.377 -11.368 5.691 1.00 0.00 O ATOM 468 CB LYS A 31 6.737 -11.053 4.268 1.00 0.00 C ATOM 469 CG LYS A 31 5.612 -11.710 3.485 1.00 0.00 C ATOM 470 CD LYS A 31 5.020 -10.760 2.457 1.00 0.00 C ATOM 471 CE LYS A 31 5.766 -10.833 1.135 1.00 0.00 C ATOM 472 NZ LYS A 31 4.877 -10.537 -0.021 1.00 0.00 N ATOM 0 H LYS A 31 5.257 -10.721 6.243 1.00 0.00 H new ATOM 0 HA LYS A 31 7.120 -12.782 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.496 -10.001 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.650 -11.087 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.989 -12.602 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.831 -12.037 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.970 -11.004 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.055 -9.740 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.595 -10.125 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.197 -11.827 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.250 -11.001 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.920 -10.893 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.839 -9.509 -0.175 1.00 0.00 H new ATOM 486 N ARG A 32 8.165 -10.433 7.342 1.00 0.00 N ATOM 487 CA ARG A 32 9.322 -9.848 8.009 1.00 0.00 C ATOM 488 C ARG A 32 10.001 -8.820 7.111 1.00 0.00 C ATOM 489 O ARG A 32 11.225 -8.801 6.983 1.00 0.00 O ATOM 490 CB ARG A 32 10.318 -10.941 8.407 1.00 0.00 C ATOM 491 CG ARG A 32 10.086 -11.495 9.803 1.00 0.00 C ATOM 492 CD ARG A 32 10.406 -10.464 10.875 1.00 0.00 C ATOM 493 NE ARG A 32 9.336 -10.352 11.863 1.00 0.00 N ATOM 494 CZ ARG A 32 9.300 -9.422 12.815 1.00 0.00 C ATOM 495 NH1 ARG A 32 10.273 -8.524 12.912 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.289 -9.390 13.672 1.00 0.00 N ATOM 0 H ARG A 32 7.274 -10.243 7.800 1.00 0.00 H new ATOM 0 HA ARG A 32 8.976 -9.343 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.257 -11.757 7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.329 -10.539 8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.048 -11.813 9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.705 -12.380 9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.335 -10.738 11.376 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.570 -9.493 10.407 1.00 0.00 H new ATOM 0 HE ARG A 32 8.571 -11.026 11.821 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.053 -8.544 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.240 -7.814 13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.539 -10.078 13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.261 -8.678 14.401 1.00 0.00 H new ATOM 510 N ILE A 33 9.195 -7.965 6.490 1.00 0.00 N ATOM 511 CA ILE A 33 9.712 -6.934 5.606 1.00 0.00 C ATOM 512 C ILE A 33 10.141 -5.704 6.396 1.00 0.00 C ATOM 513 O ILE A 33 9.724 -5.506 7.537 1.00 0.00 O ATOM 514 CB ILE A 33 8.665 -6.523 4.554 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.090 -7.764 3.871 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.280 -5.584 3.527 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.059 -7.448 2.811 1.00 0.00 C ATOM 0 H ILE A 33 8.179 -7.968 6.585 1.00 0.00 H new ATOM 0 HA ILE A 33 10.579 -7.353 5.096 1.00 0.00 H new ATOM 0 HB ILE A 33 7.855 -5.995 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.904 -8.329 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.638 -8.407 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.525 -5.304 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.649 -4.689 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.107 -6.085 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.695 -8.376 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.226 -6.910 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.512 -6.830 2.036 1.00 0.00 H new ATOM 529 N GLN A 34 10.977 -4.885 5.777 1.00 0.00 N ATOM 530 CA GLN A 34 11.474 -3.668 6.412 1.00 0.00 C ATOM 531 C GLN A 34 11.048 -2.434 5.624 1.00 0.00 C ATOM 532 O GLN A 34 11.831 -1.504 5.432 1.00 0.00 O ATOM 533 CB GLN A 34 12.999 -3.714 6.528 1.00 0.00 C ATOM 534 CG GLN A 34 13.512 -4.897 7.333 1.00 0.00 C ATOM 535 CD GLN A 34 14.369 -5.838 6.509 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.391 -6.338 6.979 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.956 -6.083 5.271 1.00 0.00 N ATOM 0 H GLN A 34 11.328 -5.039 4.832 1.00 0.00 H new ATOM 0 HA GLN A 34 11.044 -3.606 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.430 -3.751 5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.348 -2.791 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.093 -4.531 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.665 -5.448 7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.102 -5.647 4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.492 -6.708 4.669 1.00 0.00 H new ATOM 546 N TYR A 35 9.800 -2.437 5.171 1.00 0.00 N ATOM 547 CA TYR A 35 9.260 -1.323 4.401 1.00 0.00 C ATOM 548 C TYR A 35 8.684 -0.249 5.322 1.00 0.00 C ATOM 549 O TYR A 35 8.312 -0.530 6.462 1.00 0.00 O ATOM 550 CB TYR A 35 8.181 -1.823 3.433 1.00 0.00 C ATOM 551 CG TYR A 35 6.851 -2.120 4.095 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.677 -3.256 4.875 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.772 -1.258 3.942 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.465 -3.525 5.483 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.558 -1.520 4.549 1.00 0.00 C ATOM 556 CZ TYR A 35 4.410 -2.655 5.317 1.00 0.00 C ATOM 557 OH TYR A 35 3.203 -2.919 5.922 1.00 0.00 O ATOM 0 H TYR A 35 9.141 -3.201 5.324 1.00 0.00 H new ATOM 0 HA TYR A 35 10.074 -0.879 3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.029 -1.074 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.540 -2.726 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.502 -3.940 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.884 -0.369 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.346 -4.413 6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.730 -0.839 4.422 1.00 0.00 H new ATOM 0 HH TYR A 35 2.566 -2.207 5.705 1.00 0.00 H new ATOM 567 N GLN A 36 8.605 0.978 4.817 1.00 0.00 N ATOM 568 CA GLN A 36 8.064 2.089 5.590 1.00 0.00 C ATOM 569 C GLN A 36 6.553 2.172 5.413 1.00 0.00 C ATOM 570 O GLN A 36 5.961 1.366 4.697 1.00 0.00 O ATOM 571 CB GLN A 36 8.717 3.405 5.160 1.00 0.00 C ATOM 572 CG GLN A 36 8.478 3.755 3.700 1.00 0.00 C ATOM 573 CD GLN A 36 9.726 4.277 3.014 1.00 0.00 C ATOM 574 OE1 GLN A 36 9.791 5.441 2.620 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.725 3.414 2.867 1.00 0.00 N ATOM 0 H GLN A 36 8.909 1.228 3.876 1.00 0.00 H new ATOM 0 HA GLN A 36 8.284 1.916 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.335 4.212 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.790 3.344 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.120 2.871 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.691 4.506 3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.628 2.458 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.590 3.707 2.412 1.00 0.00 H new ATOM 584 N LEU A 37 5.929 3.147 6.063 1.00 0.00 N ATOM 585 CA LEU A 37 4.489 3.320 5.963 1.00 0.00 C ATOM 586 C LEU A 37 4.135 4.793 5.871 1.00 0.00 C ATOM 587 O LEU A 37 4.078 5.496 6.879 1.00 0.00 O ATOM 588 CB LEU A 37 3.791 2.686 7.164 1.00 0.00 C ATOM 589 CG LEU A 37 2.346 2.249 6.918 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.303 0.832 6.367 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.535 2.348 8.201 1.00 0.00 C ATOM 0 H LEU A 37 6.397 3.827 6.662 1.00 0.00 H new ATOM 0 HA LEU A 37 4.146 2.822 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.368 1.818 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.804 3.398 7.989 1.00 0.00 H new ATOM 0 HG LEU A 37 1.905 2.918 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.267 0.538 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.850 0.791 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.762 0.149 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.509 2.033 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.976 1.703 8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.538 3.379 8.555 1.00 0.00 H new ATOM 603 N VAL A 38 3.897 5.250 4.653 1.00 0.00 N ATOM 604 CA VAL A 38 3.544 6.643 4.425 1.00 0.00 C ATOM 605 C VAL A 38 2.074 6.875 4.739 1.00 0.00 C ATOM 606 O VAL A 38 1.230 6.921 3.844 1.00 0.00 O ATOM 607 CB VAL A 38 3.836 7.086 2.976 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.317 7.385 2.799 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.377 6.032 1.979 1.00 0.00 C ATOM 0 H VAL A 38 3.941 4.680 3.809 1.00 0.00 H new ATOM 0 HA VAL A 38 4.163 7.243 5.092 1.00 0.00 H new ATOM 0 HB VAL A 38 3.273 7.999 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.505 7.696 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.611 8.184 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.898 6.489 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.595 6.370 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.903 5.097 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.304 5.873 2.086 1.00 0.00 H new ATOM 619 N ASP A 39 1.777 7.011 6.025 1.00 0.00 N ATOM 620 CA ASP A 39 0.406 7.228 6.473 1.00 0.00 C ATOM 621 C ASP A 39 -0.006 8.683 6.281 1.00 0.00 C ATOM 622 O ASP A 39 0.608 9.595 6.836 1.00 0.00 O ATOM 623 CB ASP A 39 0.260 6.836 7.944 1.00 0.00 C ATOM 624 CG ASP A 39 0.693 5.407 8.208 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.816 5.043 7.800 1.00 0.00 O ATOM 626 OD2 ASP A 39 -0.090 4.653 8.823 1.00 0.00 O ATOM 0 H ASP A 39 2.466 6.975 6.776 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.250 6.601 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.855 7.512 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.779 6.960 8.249 1.00 0.00 H new ATOM 631 N ILE A 40 -1.051 8.889 5.487 1.00 0.00 N ATOM 632 CA ILE A 40 -1.555 10.228 5.208 1.00 0.00 C ATOM 633 C ILE A 40 -2.323 10.799 6.398 1.00 0.00 C ATOM 634 O ILE A 40 -2.564 12.004 6.471 1.00 0.00 O ATOM 635 CB ILE A 40 -2.472 10.234 3.969 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.639 9.263 4.166 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.681 9.873 2.719 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.677 9.335 3.067 1.00 0.00 C ATOM 0 H ILE A 40 -1.567 8.142 5.023 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.684 10.854 5.015 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.876 11.238 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.250 8.246 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.119 9.473 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.344 9.882 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.882 10.600 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.250 8.879 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.474 8.620 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.094 10.341 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.212 9.095 2.111 1.00 0.00 H new ATOM 650 N SER A 41 -2.705 9.930 7.330 1.00 0.00 N ATOM 651 CA SER A 41 -3.444 10.355 8.513 1.00 0.00 C ATOM 652 C SER A 41 -2.638 11.364 9.326 1.00 0.00 C ATOM 653 O SER A 41 -3.203 12.197 10.034 1.00 0.00 O ATOM 654 CB SER A 41 -3.792 9.146 9.383 1.00 0.00 C ATOM 655 OG SER A 41 -2.638 8.377 9.672 1.00 0.00 O ATOM 0 H SER A 41 -2.515 8.929 7.288 1.00 0.00 H new ATOM 0 HA SER A 41 -4.365 10.835 8.182 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.251 9.483 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.528 8.525 8.871 1.00 0.00 H new ATOM 0 HG SER A 41 -1.968 8.944 10.107 1.00 0.00 H new ATOM 661 N GLN A 42 -1.316 11.281 9.219 1.00 0.00 N ATOM 662 CA GLN A 42 -0.431 12.185 9.943 1.00 0.00 C ATOM 663 C GLN A 42 -0.711 13.637 9.571 1.00 0.00 C ATOM 664 O GLN A 42 -1.183 14.421 10.395 1.00 0.00 O ATOM 665 CB GLN A 42 1.029 11.845 9.645 1.00 0.00 C ATOM 666 CG GLN A 42 2.022 12.633 10.484 1.00 0.00 C ATOM 667 CD GLN A 42 1.754 12.512 11.971 1.00 0.00 C ATOM 668 OE1 GLN A 42 1.441 11.431 12.471 1.00 0.00 O ATOM 669 NE2 GLN A 42 1.876 13.623 12.687 1.00 0.00 N ATOM 0 H GLN A 42 -0.834 10.596 8.637 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.618 12.060 11.009 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.187 10.780 9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.229 12.032 8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.032 12.282 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.983 13.683 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.137 14.497 12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.708 13.602 13.693 1.00 0.00 H new ATOM 678 N ASP A 43 -0.414 13.988 8.325 1.00 0.00 N ATOM 679 CA ASP A 43 -0.631 15.347 7.840 1.00 0.00 C ATOM 680 C ASP A 43 -1.618 15.361 6.678 1.00 0.00 C ATOM 681 O ASP A 43 -1.600 14.476 5.823 1.00 0.00 O ATOM 682 CB ASP A 43 0.695 15.973 7.406 1.00 0.00 C ATOM 683 CG ASP A 43 0.687 17.485 7.524 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.602 17.991 8.663 1.00 0.00 O ATOM 685 OD2 ASP A 43 0.765 18.163 6.478 1.00 0.00 O ATOM 0 H ASP A 43 -0.022 13.351 7.632 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.053 15.934 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.502 15.568 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.905 15.693 6.374 1.00 0.00 H new ATOM 690 N ASN A 44 -2.477 16.375 6.652 1.00 0.00 N ATOM 691 CA ASN A 44 -3.472 16.508 5.595 1.00 0.00 C ATOM 692 C ASN A 44 -2.803 16.659 4.231 1.00 0.00 C ATOM 693 O ASN A 44 -3.388 16.320 3.202 1.00 0.00 O ATOM 694 CB ASN A 44 -4.377 17.711 5.866 1.00 0.00 C ATOM 695 CG ASN A 44 -5.619 17.335 6.650 1.00 0.00 C ATOM 696 OD1 ASN A 44 -6.124 16.217 6.537 1.00 0.00 O ATOM 697 ND2 ASN A 44 -6.120 18.269 7.450 1.00 0.00 N ATOM 0 H ASN A 44 -2.504 17.117 7.352 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.076 15.601 5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.817 18.466 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.671 18.162 4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.955 18.074 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.669 19.182 7.513 1.00 0.00 H new ATOM 704 N ALA A 45 -1.576 17.170 4.230 1.00 0.00 N ATOM 705 CA ALA A 45 -0.831 17.365 2.992 1.00 0.00 C ATOM 706 C ALA A 45 -0.643 16.047 2.253 1.00 0.00 C ATOM 707 O ALA A 45 -0.693 16.000 1.024 1.00 0.00 O ATOM 708 CB ALA A 45 0.517 18.008 3.281 1.00 0.00 C ATOM 0 H ALA A 45 -1.077 17.456 5.072 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.408 18.032 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.061 18.147 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.364 18.975 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.093 17.363 3.944 1.00 0.00 H new ATOM 714 N LEU A 46 -0.430 14.977 3.009 1.00 0.00 N ATOM 715 CA LEU A 46 -0.238 13.656 2.425 1.00 0.00 C ATOM 716 C LEU A 46 -1.503 13.195 1.710 1.00 0.00 C ATOM 717 O LEU A 46 -1.439 12.462 0.723 1.00 0.00 O ATOM 718 CB LEU A 46 0.150 12.648 3.508 1.00 0.00 C ATOM 719 CG LEU A 46 1.585 12.774 4.026 1.00 0.00 C ATOM 720 CD1 LEU A 46 1.639 12.506 5.523 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.505 11.821 3.279 1.00 0.00 C ATOM 0 H LEU A 46 -0.386 14.998 4.028 1.00 0.00 H new ATOM 0 HA LEU A 46 0.569 13.718 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.535 12.759 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.009 11.642 3.114 1.00 0.00 H new ATOM 0 HG LEU A 46 1.927 13.794 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.667 12.600 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.011 13.228 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.278 11.498 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.521 11.923 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.164 10.796 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.490 12.060 2.216 1.00 0.00 H new ATOM 733 N ARG A 47 -2.653 13.634 2.214 1.00 0.00 N ATOM 734 CA ARG A 47 -3.934 13.270 1.622 1.00 0.00 C ATOM 735 C ARG A 47 -4.085 13.888 0.236 1.00 0.00 C ATOM 736 O ARG A 47 -4.436 13.202 -0.725 1.00 0.00 O ATOM 737 CB ARG A 47 -5.084 13.722 2.524 1.00 0.00 C ATOM 738 CG ARG A 47 -5.181 12.941 3.823 1.00 0.00 C ATOM 739 CD ARG A 47 -6.210 13.548 4.763 1.00 0.00 C ATOM 740 NE ARG A 47 -6.247 12.860 6.051 1.00 0.00 N ATOM 741 CZ ARG A 47 -6.785 11.657 6.234 1.00 0.00 C ATOM 742 NH1 ARG A 47 -7.333 11.006 5.215 1.00 0.00 N ATOM 743 NH2 ARG A 47 -6.776 11.102 7.438 1.00 0.00 N ATOM 0 H ARG A 47 -2.723 14.242 3.030 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.966 12.185 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.960 14.780 2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.023 13.623 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.449 11.907 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.207 12.923 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.980 14.602 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.196 13.503 4.300 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.836 13.330 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.343 11.428 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.744 10.084 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.356 11.597 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.189 10.180 7.578 1.00 0.00 H new ATOM 757 N ASP A 48 -3.816 15.187 0.138 1.00 0.00 N ATOM 758 CA ASP A 48 -3.921 15.892 -1.135 1.00 0.00 C ATOM 759 C ASP A 48 -2.653 15.739 -1.964 1.00 0.00 C ATOM 760 O ASP A 48 -2.553 16.258 -3.075 1.00 0.00 O ATOM 761 CB ASP A 48 -4.228 17.371 -0.907 1.00 0.00 C ATOM 762 CG ASP A 48 -5.258 17.906 -1.883 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.087 17.694 -3.102 1.00 0.00 O ATOM 764 OD2 ASP A 48 -6.235 18.538 -1.428 1.00 0.00 O ATOM 0 H ASP A 48 -3.525 15.771 0.922 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.743 15.443 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.590 17.511 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.308 17.949 -1.001 1.00 0.00 H new ATOM 769 N GLU A 49 -1.701 15.010 -1.417 1.00 0.00 N ATOM 770 CA GLU A 49 -0.434 14.759 -2.092 1.00 0.00 C ATOM 771 C GLU A 49 -0.442 13.374 -2.727 1.00 0.00 C ATOM 772 O GLU A 49 0.191 13.144 -3.758 1.00 0.00 O ATOM 773 CB GLU A 49 0.731 14.878 -1.107 1.00 0.00 C ATOM 774 CG GLU A 49 2.090 14.623 -1.737 1.00 0.00 C ATOM 775 CD GLU A 49 2.877 15.899 -1.964 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.888 16.759 -1.058 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.481 16.040 -3.048 1.00 0.00 O ATOM 0 H GLU A 49 -1.778 14.575 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.305 15.507 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.725 15.876 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.580 14.171 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.665 13.956 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.954 14.110 -2.689 1.00 0.00 H new ATOM 784 N MET A 50 -1.171 12.455 -2.102 1.00 0.00 N ATOM 785 CA MET A 50 -1.276 11.089 -2.597 1.00 0.00 C ATOM 786 C MET A 50 -2.324 10.996 -3.700 1.00 0.00 C ATOM 787 O MET A 50 -2.097 10.373 -4.737 1.00 0.00 O ATOM 788 CB MET A 50 -1.635 10.138 -1.453 1.00 0.00 C ATOM 789 CG MET A 50 -1.318 8.681 -1.748 1.00 0.00 C ATOM 790 SD MET A 50 -2.529 7.915 -2.843 1.00 0.00 S ATOM 791 CE MET A 50 -3.817 7.483 -1.675 1.00 0.00 C ATOM 0 H MET A 50 -1.700 12.634 -1.248 1.00 0.00 H new ATOM 0 HA MET A 50 -0.310 10.799 -3.010 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.097 10.443 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.699 10.232 -1.234 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.329 8.613 -2.202 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.278 8.125 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.639 6.999 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.415 6.801 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.182 8.386 -1.186 1.00 0.00 H new ATOM 801 N ARG A 51 -3.473 11.623 -3.469 1.00 0.00 N ATOM 802 CA ARG A 51 -4.557 11.615 -4.444 1.00 0.00 C ATOM 803 C ARG A 51 -4.116 12.268 -5.750 1.00 0.00 C ATOM 804 O ARG A 51 -4.557 11.878 -6.831 1.00 0.00 O ATOM 805 CB ARG A 51 -5.781 12.343 -3.881 1.00 0.00 C ATOM 806 CG ARG A 51 -6.859 11.406 -3.360 1.00 0.00 C ATOM 807 CD ARG A 51 -6.605 11.014 -1.913 1.00 0.00 C ATOM 808 NE ARG A 51 -7.591 10.052 -1.427 1.00 0.00 N ATOM 809 CZ ARG A 51 -7.804 9.795 -0.138 1.00 0.00 C ATOM 810 NH1 ARG A 51 -7.103 10.426 0.796 1.00 0.00 N ATOM 811 NH2 ARG A 51 -8.721 8.906 0.218 1.00 0.00 N ATOM 0 H ARG A 51 -3.677 12.143 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.823 10.578 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.462 13.002 -3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.207 12.976 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.833 11.889 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.895 10.510 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.606 10.587 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.628 11.905 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.149 9.547 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.397 11.112 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.270 10.225 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.263 8.419 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.884 8.709 1.205 1.00 0.00 H new ATOM 825 N ALA A 52 -3.240 13.262 -5.642 1.00 0.00 N ATOM 826 CA ALA A 52 -2.737 13.968 -6.813 1.00 0.00 C ATOM 827 C ALA A 52 -1.747 13.106 -7.588 1.00 0.00 C ATOM 828 O ALA A 52 -1.951 12.817 -8.767 1.00 0.00 O ATOM 829 CB ALA A 52 -2.086 15.280 -6.399 1.00 0.00 C ATOM 0 H ALA A 52 -2.864 13.596 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.581 14.185 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.715 15.797 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.821 15.907 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.256 15.077 -5.722 1.00 0.00 H new ATOM 835 N LEU A 53 -0.674 12.697 -6.918 1.00 0.00 N ATOM 836 CA LEU A 53 0.347 11.866 -7.545 1.00 0.00 C ATOM 837 C LEU A 53 -0.246 10.544 -8.024 1.00 0.00 C ATOM 838 O LEU A 53 0.224 9.959 -9.000 1.00 0.00 O ATOM 839 CB LEU A 53 1.491 11.600 -6.565 1.00 0.00 C ATOM 840 CG LEU A 53 2.324 12.827 -6.192 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.387 12.460 -5.168 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.964 13.432 -7.433 1.00 0.00 C ATOM 0 H LEU A 53 -0.489 12.928 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 53 0.737 12.403 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.075 11.171 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.152 10.849 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 53 1.662 13.571 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.970 13.346 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.908 12.072 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.046 11.699 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.553 14.304 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.612 12.694 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.185 13.732 -8.134 1.00 0.00 H new ATOM 854 N ALA A 54 -1.280 10.080 -7.330 1.00 0.00 N ATOM 855 CA ALA A 54 -1.937 8.827 -7.684 1.00 0.00 C ATOM 856 C ALA A 54 -2.823 8.990 -8.916 1.00 0.00 C ATOM 857 O ALA A 54 -3.177 8.008 -9.568 1.00 0.00 O ATOM 858 CB ALA A 54 -2.755 8.312 -6.509 1.00 0.00 C ATOM 0 H ALA A 54 -1.681 10.552 -6.520 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.162 8.099 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.240 7.376 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.099 8.142 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.513 9.049 -6.242 1.00 0.00 H new ATOM 864 N GLY A 55 -3.180 10.232 -9.231 1.00 0.00 N ATOM 865 CA GLY A 55 -4.023 10.488 -10.383 1.00 0.00 C ATOM 866 C GLY A 55 -5.401 9.877 -10.234 1.00 0.00 C ATOM 867 O GLY A 55 -5.922 9.264 -11.166 1.00 0.00 O ATOM 0 H GLY A 55 -2.901 11.063 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.119 11.564 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.545 10.087 -11.277 1.00 0.00 H new ATOM 871 N ASN A 56 -5.993 10.045 -9.056 1.00 0.00 N ATOM 872 CA ASN A 56 -7.319 9.508 -8.778 1.00 0.00 C ATOM 873 C ASN A 56 -7.739 9.836 -7.364 1.00 0.00 C ATOM 874 O ASN A 56 -7.148 9.361 -6.394 1.00 0.00 O ATOM 875 CB ASN A 56 -7.360 7.993 -9.003 1.00 0.00 C ATOM 876 CG ASN A 56 -6.083 7.302 -8.564 1.00 0.00 C ATOM 877 OD1 ASN A 56 -5.344 6.759 -9.385 1.00 0.00 O ATOM 878 ND2 ASN A 56 -5.818 7.319 -7.263 1.00 0.00 N ATOM 0 H ASN A 56 -5.573 10.551 -8.276 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.020 9.975 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.203 7.571 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.533 7.791 -10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.973 6.870 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.459 7.781 -6.618 1.00 0.00 H new ATOM 885 N PRO A 57 -8.772 10.673 -7.234 1.00 0.00 N ATOM 886 CA PRO A 57 -9.290 11.098 -5.952 1.00 0.00 C ATOM 887 C PRO A 57 -10.339 10.141 -5.396 1.00 0.00 C ATOM 888 O PRO A 57 -11.191 10.531 -4.597 1.00 0.00 O ATOM 889 CB PRO A 57 -9.911 12.462 -6.271 1.00 0.00 C ATOM 890 CG PRO A 57 -9.840 12.639 -7.755 1.00 0.00 C ATOM 891 CD PRO A 57 -9.519 11.297 -8.327 1.00 0.00 C ATOM 0 HA PRO A 57 -8.517 11.131 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.944 12.505 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.371 13.260 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.786 13.012 -8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.075 13.368 -8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.418 10.735 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.924 11.373 -9.237 1.00 0.00 H new ATOM 899 N LYS A 58 -10.265 8.886 -5.818 1.00 0.00 N ATOM 900 CA LYS A 58 -11.198 7.862 -5.362 1.00 0.00 C ATOM 901 C LYS A 58 -10.459 6.722 -4.662 1.00 0.00 C ATOM 902 O LYS A 58 -11.082 5.827 -4.090 1.00 0.00 O ATOM 903 CB LYS A 58 -12.002 7.314 -6.543 1.00 0.00 C ATOM 904 CG LYS A 58 -13.011 8.303 -7.103 1.00 0.00 C ATOM 905 CD LYS A 58 -13.149 8.164 -8.610 1.00 0.00 C ATOM 906 CE LYS A 58 -13.391 9.510 -9.274 1.00 0.00 C ATOM 907 NZ LYS A 58 -13.245 9.434 -10.754 1.00 0.00 N ATOM 0 H LYS A 58 -9.565 8.550 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.881 8.321 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.314 7.022 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.526 6.412 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.980 8.142 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.702 9.319 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.245 7.713 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.974 7.490 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.392 9.862 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.688 10.242 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.418 10.372 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.282 9.122 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.933 8.754 -11.136 1.00 0.00 H new ATOM 921 N ALA A 59 -9.128 6.760 -4.711 1.00 0.00 N ATOM 922 CA ALA A 59 -8.308 5.730 -4.082 1.00 0.00 C ATOM 923 C ALA A 59 -8.613 5.613 -2.591 1.00 0.00 C ATOM 924 O ALA A 59 -9.616 6.137 -2.107 1.00 0.00 O ATOM 925 CB ALA A 59 -6.833 6.030 -4.300 1.00 0.00 C ATOM 0 H ALA A 59 -8.596 7.493 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.549 4.774 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.230 5.255 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.620 6.053 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.590 6.998 -3.861 1.00 0.00 H new ATOM 931 N THR A 60 -7.738 4.919 -1.871 1.00 0.00 N ATOM 932 CA THR A 60 -7.903 4.726 -0.436 1.00 0.00 C ATOM 933 C THR A 60 -6.546 4.758 0.264 1.00 0.00 C ATOM 934 O THR A 60 -5.506 4.749 -0.391 1.00 0.00 O ATOM 935 CB THR A 60 -8.612 3.398 -0.163 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.249 2.429 -1.129 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.121 3.513 -0.172 1.00 0.00 C ATOM 0 H THR A 60 -6.904 4.479 -2.260 1.00 0.00 H new ATOM 0 HA THR A 60 -8.514 5.537 -0.041 1.00 0.00 H new ATOM 0 HB THR A 60 -8.293 3.099 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.711 1.586 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.562 2.536 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.437 4.218 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.453 3.868 -1.148 1.00 0.00 H new ATOM 945 N PRO A 61 -6.532 4.806 1.608 1.00 0.00 N ATOM 946 CA PRO A 61 -5.286 4.849 2.380 1.00 0.00 C ATOM 947 C PRO A 61 -4.262 3.804 1.928 1.00 0.00 C ATOM 948 O PRO A 61 -3.079 4.112 1.795 1.00 0.00 O ATOM 949 CB PRO A 61 -5.748 4.573 3.810 1.00 0.00 C ATOM 950 CG PRO A 61 -7.150 5.075 3.853 1.00 0.00 C ATOM 951 CD PRO A 61 -7.723 4.834 2.481 1.00 0.00 C ATOM 0 HA PRO A 61 -4.770 5.801 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.700 3.510 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.120 5.088 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.728 4.551 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.177 6.135 4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.275 3.895 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.415 5.625 2.191 1.00 0.00 H new ATOM 959 N PRO A 62 -4.694 2.551 1.686 1.00 0.00 N ATOM 960 CA PRO A 62 -3.794 1.477 1.254 1.00 0.00 C ATOM 961 C PRO A 62 -3.365 1.632 -0.202 1.00 0.00 C ATOM 962 O PRO A 62 -4.143 1.371 -1.119 1.00 0.00 O ATOM 963 CB PRO A 62 -4.629 0.198 1.430 1.00 0.00 C ATOM 964 CG PRO A 62 -5.880 0.618 2.133 1.00 0.00 C ATOM 965 CD PRO A 62 -6.073 2.070 1.811 1.00 0.00 C ATOM 0 HA PRO A 62 -2.869 1.475 1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.857 -0.255 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.085 -0.546 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.732 0.028 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.792 0.466 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.637 2.210 0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.615 2.592 2.599 1.00 0.00 H new ATOM 973 N GLN A 63 -2.121 2.054 -0.407 1.00 0.00 N ATOM 974 CA GLN A 63 -1.588 2.240 -1.753 1.00 0.00 C ATOM 975 C GLN A 63 -0.085 1.984 -1.781 1.00 0.00 C ATOM 976 O GLN A 63 0.674 2.601 -1.033 1.00 0.00 O ATOM 977 CB GLN A 63 -1.886 3.655 -2.253 1.00 0.00 C ATOM 978 CG GLN A 63 -3.367 3.993 -2.275 1.00 0.00 C ATOM 979 CD GLN A 63 -4.140 3.169 -3.285 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.649 2.887 -4.378 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.356 2.776 -2.924 1.00 0.00 N ATOM 0 H GLN A 63 -1.463 2.274 0.341 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.074 1.521 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.367 4.373 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.481 3.769 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.787 3.831 -1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.491 5.051 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.724 3.032 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.922 2.218 -3.563 1.00 0.00 H new ATOM 990 N ILE A 64 0.338 1.070 -2.647 1.00 0.00 N ATOM 991 CA ILE A 64 1.750 0.731 -2.772 1.00 0.00 C ATOM 992 C ILE A 64 2.460 1.675 -3.737 1.00 0.00 C ATOM 993 O ILE A 64 2.047 1.832 -4.886 1.00 0.00 O ATOM 994 CB ILE A 64 1.941 -0.719 -3.256 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.107 -1.679 -2.405 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.412 -1.105 -3.211 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.305 -1.867 -2.913 1.00 0.00 C ATOM 0 H ILE A 64 -0.277 0.550 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 64 2.187 0.834 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 64 1.599 -0.788 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.605 -2.648 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.069 -1.305 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.529 -2.132 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.983 -0.438 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.779 -1.022 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.837 -2.560 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.820 -0.907 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.277 -2.270 -3.925 1.00 0.00 H new ATOM 1009 N VAL A 65 3.531 2.301 -3.261 1.00 0.00 N ATOM 1010 CA VAL A 65 4.303 3.229 -4.078 1.00 0.00 C ATOM 1011 C VAL A 65 5.782 2.856 -4.074 1.00 0.00 C ATOM 1012 O VAL A 65 6.338 2.491 -3.038 1.00 0.00 O ATOM 1013 CB VAL A 65 4.140 4.680 -3.582 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.957 5.646 -4.431 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.671 5.077 -3.578 1.00 0.00 C ATOM 0 H VAL A 65 3.884 2.182 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 65 3.919 3.160 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 65 4.517 4.734 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.823 6.661 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.012 5.376 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.622 5.593 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.573 6.104 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.271 5.000 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.116 4.412 -2.917 1.00 0.00 H new ATOM 1025 N ASN A 66 6.411 2.949 -5.239 1.00 0.00 N ATOM 1026 CA ASN A 66 7.825 2.620 -5.374 1.00 0.00 C ATOM 1027 C ASN A 66 8.655 3.877 -5.613 1.00 0.00 C ATOM 1028 O ASN A 66 9.043 4.173 -6.743 1.00 0.00 O ATOM 1029 CB ASN A 66 8.033 1.631 -6.523 1.00 0.00 C ATOM 1030 CG ASN A 66 9.149 0.644 -6.242 1.00 0.00 C ATOM 1031 OD1 ASN A 66 10.167 0.628 -6.933 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.962 -0.186 -5.222 1.00 0.00 N ATOM 0 H ASN A 66 5.964 3.250 -6.105 1.00 0.00 H new ATOM 0 HA ASN A 66 8.156 2.159 -4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.106 1.086 -6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.260 2.182 -7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.679 -0.872 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.102 -0.137 -4.676 1.00 0.00 H new ATOM 1039 N GLY A 67 8.923 4.614 -4.540 1.00 0.00 N ATOM 1040 CA GLY A 67 9.705 5.831 -4.654 1.00 0.00 C ATOM 1041 C GLY A 67 8.838 7.065 -4.801 1.00 0.00 C ATOM 1042 O GLY A 67 8.550 7.751 -3.820 1.00 0.00 O ATOM 0 H GLY A 67 8.613 4.390 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.337 5.937 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.370 5.753 -5.514 1.00 0.00 H new ATOM 1046 N ASP A 68 8.421 7.349 -6.030 1.00 0.00 N ATOM 1047 CA ASP A 68 7.582 8.509 -6.303 1.00 0.00 C ATOM 1048 C ASP A 68 6.635 8.233 -7.466 1.00 0.00 C ATOM 1049 O ASP A 68 6.359 9.117 -8.278 1.00 0.00 O ATOM 1050 CB ASP A 68 8.449 9.731 -6.613 1.00 0.00 C ATOM 1051 CG ASP A 68 7.896 11.003 -6.003 1.00 0.00 C ATOM 1052 OD1 ASP A 68 7.665 11.021 -4.775 1.00 0.00 O ATOM 1053 OD2 ASP A 68 7.694 11.982 -6.752 1.00 0.00 O ATOM 0 H ASP A 68 8.651 6.791 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 68 6.986 8.713 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.458 9.561 -6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.526 9.853 -7.693 1.00 0.00 H new ATOM 1058 N GLN A 69 6.138 7.002 -7.540 1.00 0.00 N ATOM 1059 CA GLN A 69 5.222 6.613 -8.604 1.00 0.00 C ATOM 1060 C GLN A 69 4.143 5.674 -8.075 1.00 0.00 C ATOM 1061 O GLN A 69 4.275 5.109 -6.990 1.00 0.00 O ATOM 1062 CB GLN A 69 5.987 5.944 -9.748 1.00 0.00 C ATOM 1063 CG GLN A 69 5.863 6.678 -11.074 1.00 0.00 C ATOM 1064 CD GLN A 69 5.763 5.734 -12.256 1.00 0.00 C ATOM 1065 OE1 GLN A 69 6.772 5.358 -12.852 1.00 0.00 O ATOM 1066 NE2 GLN A 69 4.541 5.346 -12.601 1.00 0.00 N ATOM 0 H GLN A 69 6.355 6.258 -6.876 1.00 0.00 H new ATOM 0 HA GLN A 69 4.739 7.514 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.041 5.875 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.622 4.924 -9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.981 7.318 -11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.727 7.330 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.732 5.683 -12.078 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.411 4.711 -13.389 1.00 0.00 H new ATOM 1075 N TYR A 70 3.078 5.512 -8.850 1.00 0.00 N ATOM 1076 CA TYR A 70 1.976 4.642 -8.459 1.00 0.00 C ATOM 1077 C TYR A 70 2.315 3.182 -8.736 1.00 0.00 C ATOM 1078 O TYR A 70 2.235 2.720 -9.874 1.00 0.00 O ATOM 1079 CB TYR A 70 0.703 5.035 -9.209 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.557 4.924 -8.378 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.581 5.344 -7.054 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.723 4.399 -8.921 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -1.731 5.244 -6.295 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -2.877 4.296 -8.168 1.00 0.00 C ATOM 1085 CZ TYR A 70 -2.876 4.720 -6.856 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.024 4.620 -6.104 1.00 0.00 O ATOM 0 H TYR A 70 2.954 5.971 -9.752 1.00 0.00 H new ATOM 0 HA TYR A 70 1.810 4.760 -7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.804 6.061 -9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.602 4.402 -10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.314 5.755 -6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.728 4.066 -9.948 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.733 5.575 -5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.775 3.885 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.021 3.771 -5.614 1.00 0.00 H new ATOM 1096 N CYS A 71 2.699 2.462 -7.687 1.00 0.00 N ATOM 1097 CA CYS A 71 3.055 1.054 -7.815 1.00 0.00 C ATOM 1098 C CYS A 71 1.809 0.176 -7.872 1.00 0.00 C ATOM 1099 O CYS A 71 1.726 -0.746 -8.683 1.00 0.00 O ATOM 1100 CB CYS A 71 3.944 0.623 -6.647 1.00 0.00 C ATOM 1101 SG CYS A 71 5.129 -0.678 -7.063 1.00 0.00 S ATOM 0 H CYS A 71 2.772 2.831 -6.739 1.00 0.00 H new ATOM 0 HA CYS A 71 3.605 0.930 -8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.489 1.492 -6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.310 0.275 -5.831 1.00 0.00 H new ATOM 0 HG CYS A 71 6.092 -0.683 -6.190 1.00 0.00 H new ATOM 1107 N GLY A 72 0.840 0.466 -7.007 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.384 -0.312 -6.985 1.00 0.00 C ATOM 1109 C GLY A 72 -1.314 0.090 -5.859 1.00 0.00 C ATOM 1110 O GLY A 72 -1.167 1.163 -5.274 1.00 0.00 O ATOM 0 H GLY A 72 0.881 1.223 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.901 -0.194 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.136 -1.369 -6.886 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.276 -0.776 -5.557 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.241 -0.511 -4.494 1.00 0.00 C ATOM 1116 C ASP A 73 -3.511 -1.776 -3.683 1.00 0.00 C ATOM 1117 O ASP A 73 -2.762 -2.750 -3.767 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.556 0.026 -5.076 1.00 0.00 C ATOM 1119 CG ASP A 73 -4.371 0.747 -6.399 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -3.478 1.615 -6.484 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.122 0.443 -7.350 1.00 0.00 O ATOM 0 H ASP A 73 -2.409 -1.668 -6.033 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.815 0.245 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.250 -0.803 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.013 0.708 -4.358 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.584 -1.755 -2.897 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.951 -2.900 -2.071 1.00 0.00 C ATOM 1128 C TYR A 74 -5.390 -4.079 -2.936 1.00 0.00 C ATOM 1129 O TYR A 74 -4.906 -5.199 -2.767 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.075 -2.514 -1.105 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.588 -3.669 -0.273 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.503 -4.574 -0.796 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.158 -3.853 1.035 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -7.975 -5.629 -0.039 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.625 -4.906 1.798 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.533 -5.791 1.256 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.000 -6.841 2.013 1.00 0.00 O ATOM 0 H TYR A 74 -5.214 -0.957 -2.815 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.074 -3.202 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.716 -1.730 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.903 -2.093 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.851 -4.451 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.447 -3.162 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.687 -6.323 -0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.281 -5.035 2.813 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.126 -7.627 1.441 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.312 -3.821 -3.857 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.825 -4.851 -4.744 1.00 0.00 C ATOM 1149 C GLU A 75 -5.696 -5.563 -5.487 1.00 0.00 C ATOM 1150 O GLU A 75 -5.607 -6.789 -5.468 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.797 -4.224 -5.740 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.052 -5.046 -5.962 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.146 -5.605 -7.368 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.087 -5.874 -7.973 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.280 -5.775 -7.865 1.00 0.00 O ATOM 0 H GLU A 75 -6.720 -2.898 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.344 -5.596 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.080 -3.233 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.289 -4.087 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.074 -5.868 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.927 -4.427 -5.763 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.841 -4.785 -6.143 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.720 -5.341 -6.897 1.00 0.00 C ATOM 1164 C LEU A 76 -2.862 -6.253 -6.025 1.00 0.00 C ATOM 1165 O LEU A 76 -2.842 -7.470 -6.211 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.854 -4.216 -7.466 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.554 -3.304 -8.476 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.078 -2.051 -7.791 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.604 -2.940 -9.608 1.00 0.00 C ATOM 0 H LEU A 76 -4.902 -3.767 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.132 -5.933 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.491 -3.605 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.980 -4.658 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.403 -3.842 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.573 -1.415 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.790 -2.331 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.247 -1.508 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.116 -2.291 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.736 -2.420 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.278 -3.848 -10.116 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.151 -5.651 -5.076 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.279 -6.394 -4.169 1.00 0.00 C ATOM 1183 C PHE A 77 -1.966 -7.656 -3.644 1.00 0.00 C ATOM 1184 O PHE A 77 -1.435 -8.761 -3.766 1.00 0.00 O ATOM 1185 CB PHE A 77 -0.861 -5.499 -2.999 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.048 -6.207 -1.951 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.660 -7.036 -1.024 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.327 -6.044 -1.892 1.00 0.00 C ATOM 1189 CE1 PHE A 77 0.083 -7.688 -0.059 1.00 0.00 C ATOM 1190 CE2 PHE A 77 2.076 -6.694 -0.929 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.453 -7.517 -0.011 1.00 0.00 C ATOM 0 H PHE A 77 -2.162 -4.644 -4.914 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.394 -6.701 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.285 -4.658 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.755 -5.085 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.731 -7.174 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.819 -5.401 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.407 -8.331 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.147 -6.559 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.036 -8.026 0.743 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.146 -7.482 -3.056 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.901 -8.603 -2.508 1.00 0.00 C ATOM 1203 C VAL A 78 -4.317 -9.582 -3.602 1.00 0.00 C ATOM 1204 O VAL A 78 -4.371 -10.791 -3.377 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.160 -8.121 -1.760 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.860 -9.288 -1.080 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.799 -7.045 -0.746 1.00 0.00 C ATOM 0 H VAL A 78 -3.600 -6.575 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.240 -9.111 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.848 -7.689 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.746 -8.927 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.155 -10.022 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.181 -9.753 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.700 -6.717 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.091 -7.450 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.347 -6.197 -1.261 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.612 -9.054 -4.786 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.023 -9.887 -5.912 1.00 0.00 C ATOM 1219 C GLU A 79 -3.842 -10.663 -6.494 1.00 0.00 C ATOM 1220 O GLU A 79 -4.018 -11.505 -7.374 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.665 -9.031 -7.004 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.131 -9.836 -8.208 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.553 -9.503 -8.618 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -8.491 -9.963 -7.933 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.727 -8.784 -9.624 1.00 0.00 O ATOM 0 H GLU A 79 -4.574 -8.055 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.754 -10.605 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.516 -8.496 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.948 -8.279 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.461 -9.648 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.063 -10.899 -7.978 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.638 -10.373 -6.010 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.441 -11.044 -6.498 1.00 0.00 C ATOM 1234 C ALA A 80 -1.065 -12.233 -5.614 1.00 0.00 C ATOM 1235 O ALA A 80 -0.966 -13.363 -6.092 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.291 -10.054 -6.582 1.00 0.00 C ATOM 0 H ALA A 80 -2.467 -9.679 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.651 -11.432 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.601 -10.563 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.555 -9.247 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.093 -9.641 -5.593 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.856 -11.974 -4.325 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.489 -13.031 -3.381 1.00 0.00 C ATOM 1244 C VAL A 81 -1.448 -14.214 -3.474 1.00 0.00 C ATOM 1245 O VAL A 81 -1.058 -15.365 -3.280 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.484 -12.513 -1.928 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.055 -13.575 -0.982 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.326 -11.230 -1.817 1.00 0.00 C ATOM 0 H VAL A 81 -0.934 -11.046 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 81 0.516 -13.355 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.512 -12.291 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.050 -13.190 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.573 -14.464 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.075 -13.833 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.316 -10.882 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.354 -11.421 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.111 -10.467 -2.461 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.706 -13.913 -3.768 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.742 -14.936 -3.886 1.00 0.00 C ATOM 1260 C GLU A 82 -3.354 -16.024 -4.885 1.00 0.00 C ATOM 1261 O GLU A 82 -3.472 -17.214 -4.596 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.060 -14.294 -4.315 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.891 -13.222 -5.381 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.735 -13.486 -6.613 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -6.978 -13.490 -6.492 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.152 -13.688 -7.700 1.00 0.00 O ATOM 0 H GLU A 82 -3.037 -12.962 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.857 -15.403 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.727 -15.069 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.543 -13.855 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.160 -12.252 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.842 -13.164 -5.670 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.894 -15.609 -6.060 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.494 -16.549 -7.101 1.00 0.00 C ATOM 1275 C GLN A 83 -0.979 -16.714 -7.130 1.00 0.00 C ATOM 1276 O GLN A 83 -0.430 -17.339 -8.037 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.991 -16.065 -8.464 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.582 -17.170 -9.325 1.00 0.00 C ATOM 1279 CD GLN A 83 -4.461 -16.634 -10.438 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -4.233 -16.917 -11.615 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -5.471 -15.854 -10.071 1.00 0.00 N ATOM 0 H GLN A 83 -2.789 -14.627 -6.316 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.942 -17.517 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.744 -15.292 -8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.162 -15.602 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.774 -17.760 -9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.167 -17.842 -8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.622 -15.646 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.096 -15.463 -10.776 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.308 -16.135 -6.139 1.00 0.00 N ATOM 1291 CA ASN A 84 1.141 -16.197 -6.050 1.00 0.00 C ATOM 1292 C ASN A 84 1.769 -15.252 -7.065 1.00 0.00 C ATOM 1293 O ASN A 84 2.931 -15.407 -7.442 1.00 0.00 O ATOM 1294 CB ASN A 84 1.644 -17.627 -6.271 1.00 0.00 C ATOM 1295 CG ASN A 84 2.746 -18.008 -5.302 1.00 0.00 C ATOM 1296 OD1 ASN A 84 2.520 -18.753 -4.349 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.948 -17.496 -5.541 1.00 0.00 N ATOM 0 H ASN A 84 -0.752 -15.614 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 84 1.436 -15.887 -5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.812 -18.323 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.012 -17.726 -7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.728 -17.716 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.091 -16.882 -6.343 1.00 0.00 H new ATOM 1304 N THR A 85 0.988 -14.268 -7.501 1.00 0.00 N ATOM 1305 CA THR A 85 1.458 -13.290 -8.467 1.00 0.00 C ATOM 1306 C THR A 85 2.206 -12.156 -7.773 1.00 0.00 C ATOM 1307 O THR A 85 2.946 -11.412 -8.415 1.00 0.00 O ATOM 1308 CB THR A 85 0.284 -12.729 -9.270 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.796 -13.645 -9.286 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.638 -12.412 -10.707 1.00 0.00 C ATOM 0 H THR A 85 0.024 -14.130 -7.197 1.00 0.00 H new ATOM 0 HA THR A 85 2.146 -13.791 -9.148 1.00 0.00 H new ATOM 0 HB THR A 85 0.008 -11.802 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.538 -13.267 -9.803 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.240 -12.018 -11.220 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.435 -11.669 -10.730 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.973 -13.320 -11.208 1.00 0.00 H new ATOM 1318 N LEU A 86 1.997 -12.028 -6.459 1.00 0.00 N ATOM 1319 CA LEU A 86 2.641 -10.984 -5.659 1.00 0.00 C ATOM 1320 C LEU A 86 4.027 -10.616 -6.190 1.00 0.00 C ATOM 1321 O LEU A 86 4.389 -9.439 -6.228 1.00 0.00 O ATOM 1322 CB LEU A 86 2.749 -11.436 -4.202 1.00 0.00 C ATOM 1323 CG LEU A 86 3.045 -10.325 -3.193 1.00 0.00 C ATOM 1324 CD1 LEU A 86 4.510 -9.923 -3.256 1.00 0.00 C ATOM 1325 CD2 LEU A 86 2.149 -9.119 -3.438 1.00 0.00 C ATOM 0 H LEU A 86 1.381 -12.641 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 86 2.017 -10.093 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.815 -11.922 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.534 -12.189 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 86 2.835 -10.708 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.702 -9.132 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.134 -10.786 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.746 -9.563 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.377 -8.342 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.322 -8.735 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.105 -9.415 -3.338 1.00 0.00 H new ATOM 1337 N GLN A 87 4.798 -11.618 -6.604 1.00 0.00 N ATOM 1338 CA GLN A 87 6.135 -11.367 -7.133 1.00 0.00 C ATOM 1339 C GLN A 87 6.065 -10.438 -8.337 1.00 0.00 C ATOM 1340 O GLN A 87 6.713 -9.394 -8.365 1.00 0.00 O ATOM 1341 CB GLN A 87 6.825 -12.671 -7.533 1.00 0.00 C ATOM 1342 CG GLN A 87 8.071 -12.452 -8.379 1.00 0.00 C ATOM 1343 CD GLN A 87 8.907 -13.708 -8.531 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.457 -14.809 -8.214 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.131 -13.549 -9.019 1.00 0.00 N ATOM 0 H GLN A 87 4.524 -12.600 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 87 6.719 -10.893 -6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.097 -13.222 -6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.121 -13.292 -8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.776 -12.096 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.679 -11.669 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.463 -12.618 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.739 -14.358 -9.144 1.00 0.00 H new ATOM 1354 N GLU A 88 5.267 -10.825 -9.330 1.00 0.00 N ATOM 1355 CA GLU A 88 5.102 -10.025 -10.541 1.00 0.00 C ATOM 1356 C GLU A 88 4.891 -8.553 -10.198 1.00 0.00 C ATOM 1357 O GLU A 88 5.189 -7.669 -11.002 1.00 0.00 O ATOM 1358 CB GLU A 88 3.921 -10.545 -11.363 1.00 0.00 C ATOM 1359 CG GLU A 88 4.152 -10.485 -12.864 1.00 0.00 C ATOM 1360 CD GLU A 88 3.660 -9.190 -13.478 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.438 -9.069 -13.711 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.496 -8.296 -13.728 1.00 0.00 O ATOM 0 H GLU A 88 4.724 -11.689 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 88 6.014 -10.113 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.715 -11.576 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.033 -9.963 -11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.217 -10.598 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.645 -11.324 -13.340 1.00 0.00 H new ATOM 1369 N PHE A 89 4.377 -8.298 -8.998 1.00 0.00 N ATOM 1370 CA PHE A 89 4.128 -6.939 -8.545 1.00 0.00 C ATOM 1371 C PHE A 89 5.241 -6.455 -7.617 1.00 0.00 C ATOM 1372 O PHE A 89 5.478 -5.253 -7.495 1.00 0.00 O ATOM 1373 CB PHE A 89 2.775 -6.869 -7.832 1.00 0.00 C ATOM 1374 CG PHE A 89 2.426 -5.505 -7.310 1.00 0.00 C ATOM 1375 CD1 PHE A 89 3.076 -4.983 -6.203 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.445 -4.746 -7.925 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.753 -3.730 -5.720 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.117 -3.493 -7.447 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.773 -2.983 -6.343 1.00 0.00 C ATOM 0 H PHE A 89 4.125 -9.019 -8.322 1.00 0.00 H new ATOM 0 HA PHE A 89 4.110 -6.284 -9.416 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.996 -7.192 -8.522 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.778 -7.574 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.844 -5.563 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.930 -5.139 -8.789 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.266 -3.335 -4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.349 -2.912 -7.935 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.520 -2.002 -5.968 1.00 0.00 H new ATOM 1389 N LEU A 90 5.921 -7.393 -6.964 1.00 0.00 N ATOM 1390 CA LEU A 90 7.005 -7.051 -6.050 1.00 0.00 C ATOM 1391 C LEU A 90 8.363 -7.148 -6.742 1.00 0.00 C ATOM 1392 O LEU A 90 9.039 -6.140 -6.946 1.00 0.00 O ATOM 1393 CB LEU A 90 6.974 -7.968 -4.823 1.00 0.00 C ATOM 1394 CG LEU A 90 6.657 -7.271 -3.497 1.00 0.00 C ATOM 1395 CD1 LEU A 90 6.859 -8.226 -2.330 1.00 0.00 C ATOM 1396 CD2 LEU A 90 7.521 -6.029 -3.325 1.00 0.00 C ATOM 0 H LEU A 90 5.741 -8.393 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 90 6.860 -6.019 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.232 -8.749 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.942 -8.462 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 90 5.612 -6.963 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.629 -7.713 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.198 -9.085 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.895 -8.565 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.281 -5.547 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.573 -6.314 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.328 -5.335 -4.143 1.00 0.00 H new