USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 SER OG : rot -12:sc= 1.14 USER MOD Set 1.2: A 81 LYS NZ :NH3+ -113:sc=-0.00791 (180deg=-0.159) USER MOD Set 2.1: A 45 TYR OH : rot -7:sc= 1.53 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 157:sc= 0.952 (180deg=0.0937) USER MOD Set 3.1: A 52 SER OG : rot 80:sc= 0.215 USER MOD Set 3.2: A 57 HIS :FLIP no HD1:sc= 0.195 F(o=-0.32,f=0.41) USER MOD Set 4.1: A 38 ASN : amide:sc= 1.88 K(o=2.6,f=-0.22) USER MOD Set 4.2: A 51 TYR OH : rot -151:sc= 0.709 USER MOD Set 5.1: A 50 HIS : no HD1:sc= 0.799 K(o=1.7,f=-4.9!) USER MOD Set 5.2: A 59 TYR OH : rot 171:sc= 0.936 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 145:sc= 2.26 (180deg=-0.622) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.314 F(o=-1.4,f=-0.31) USER MOD Single : A 19 THR OG1 : rot 26:sc= 0.551 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.49) USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.178 USER MOD Single : A 32 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.62) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0406) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -157:sc= 1.26 USER MOD Single : A 71 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.5!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.23) USER MOD Single : A 78 THR OG1 : rot -20:sc= 0.727 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -10.612 0.361 2.583 1.00 0.00 N ATOM 2 CA LYS A 5 -10.868 1.680 1.986 1.00 0.00 C ATOM 3 C LYS A 5 -9.583 2.501 1.943 1.00 0.00 C ATOM 4 O LYS A 5 -9.068 2.804 0.865 1.00 0.00 O ATOM 5 CB LYS A 5 -11.984 2.455 2.714 1.00 0.00 C ATOM 6 CG LYS A 5 -13.394 1.961 2.398 1.00 0.00 C ATOM 7 CD LYS A 5 -13.634 0.558 2.925 1.00 0.00 C ATOM 8 CE LYS A 5 -14.877 -0.069 2.322 1.00 0.00 C ATOM 9 NZ LYS A 5 -14.963 -1.520 2.638 1.00 0.00 N ATOM 0 HA LYS A 5 -11.218 1.508 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.818 2.385 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.912 3.510 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.124 2.643 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.550 1.975 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.768 -0.066 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.734 0.590 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.763 0.440 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.868 0.069 1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.824 -1.918 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.129 -2.009 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.997 -1.649 3.669 1.00 0.00 H new ATOM 23 N LEU A 6 -9.050 2.830 3.114 1.00 0.00 N ATOM 24 CA LEU A 6 -7.778 3.537 3.208 1.00 0.00 C ATOM 25 C LEU A 6 -6.653 2.655 2.675 1.00 0.00 C ATOM 26 O LEU A 6 -5.659 3.145 2.145 1.00 0.00 O ATOM 27 CB LEU A 6 -7.473 3.946 4.658 1.00 0.00 C ATOM 28 CG LEU A 6 -8.361 5.050 5.249 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.436 6.246 4.313 1.00 0.00 C ATOM 30 CD2 LEU A 6 -9.753 4.530 5.563 1.00 0.00 C ATOM 0 H LEU A 6 -9.480 2.618 4.014 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.850 4.443 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.559 3.062 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.435 4.275 4.711 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.905 5.374 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.071 7.014 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.435 6.648 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.856 5.934 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.357 5.336 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.219 4.163 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.683 3.717 6.286 1.00 0.00 H new ATOM 42 N ARG A 7 -6.837 1.342 2.818 1.00 0.00 N ATOM 43 CA ARG A 7 -5.877 0.366 2.312 1.00 0.00 C ATOM 44 C ARG A 7 -5.744 0.506 0.799 1.00 0.00 C ATOM 45 O ARG A 7 -4.646 0.461 0.251 1.00 0.00 O ATOM 46 CB ARG A 7 -6.337 -1.061 2.634 1.00 0.00 C ATOM 47 CG ARG A 7 -6.820 -1.277 4.056 1.00 0.00 C ATOM 48 CD ARG A 7 -5.752 -1.001 5.101 1.00 0.00 C ATOM 49 NE ARG A 7 -6.121 -1.594 6.387 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.681 -1.179 7.578 1.00 0.00 C ATOM 51 NH1 ARG A 7 -4.981 -0.058 7.688 1.00 0.00 N ATOM 52 NH2 ARG A 7 -5.978 -1.869 8.672 1.00 0.00 N ATOM 0 H ARG A 7 -7.647 0.931 3.283 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.917 0.554 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.141 -1.330 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.511 -1.745 2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.678 -0.631 4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.166 -2.305 4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.797 -1.407 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.618 0.075 5.216 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.764 -2.386 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.773 0.497 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.650 0.249 8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.542 -2.716 8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.642 -1.552 9.582 1.00 0.00 H new ATOM 66 N TYR A 8 -6.887 0.692 0.143 1.00 0.00 N ATOM 67 CA TYR A 8 -6.942 0.801 -1.310 1.00 0.00 C ATOM 68 C TYR A 8 -6.242 2.064 -1.793 1.00 0.00 C ATOM 69 O TYR A 8 -5.509 2.037 -2.782 1.00 0.00 O ATOM 70 CB TYR A 8 -8.397 0.798 -1.786 1.00 0.00 C ATOM 71 CG TYR A 8 -8.552 1.125 -3.254 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.254 0.184 -4.226 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.991 2.379 -3.667 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.388 0.479 -5.567 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.126 2.682 -5.010 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.823 1.725 -5.956 1.00 0.00 C ATOM 77 OH TYR A 8 -8.956 2.011 -7.296 1.00 0.00 O ATOM 0 H TYR A 8 -7.795 0.771 0.601 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.424 -0.060 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.832 -0.182 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.964 1.520 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.911 -0.796 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.230 3.128 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.152 -0.267 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.466 3.660 -5.315 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.274 2.932 -7.404 1.00 0.00 H new ATOM 87 N ALA A 9 -6.482 3.167 -1.093 1.00 0.00 N ATOM 88 CA ALA A 9 -5.881 4.442 -1.451 1.00 0.00 C ATOM 89 C ALA A 9 -4.363 4.329 -1.477 1.00 0.00 C ATOM 90 O ALA A 9 -3.720 4.747 -2.438 1.00 0.00 O ATOM 91 CB ALA A 9 -6.328 5.528 -0.485 1.00 0.00 C ATOM 0 H ALA A 9 -7.089 3.202 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.216 4.716 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.870 6.476 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.413 5.624 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.022 5.263 0.527 1.00 0.00 H new ATOM 97 N ILE A 10 -3.802 3.727 -0.433 1.00 0.00 N ATOM 98 CA ILE A 10 -2.359 3.540 -0.345 1.00 0.00 C ATOM 99 C ILE A 10 -1.850 2.679 -1.499 1.00 0.00 C ATOM 100 O ILE A 10 -0.836 2.998 -2.118 1.00 0.00 O ATOM 101 CB ILE A 10 -1.951 2.904 1.006 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.427 3.790 2.163 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.441 2.696 1.069 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.040 3.278 3.531 1.00 0.00 C ATOM 0 H ILE A 10 -4.325 3.361 0.363 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.901 4.527 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.427 1.927 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.017 4.791 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.512 3.881 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.175 2.248 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.131 2.034 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.063 3.657 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.414 3.961 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.472 2.289 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.954 3.214 3.602 1.00 0.00 H new ATOM 116 N LEU A 11 -2.574 1.605 -1.796 1.00 0.00 N ATOM 117 CA LEU A 11 -2.215 0.715 -2.895 1.00 0.00 C ATOM 118 C LEU A 11 -2.103 1.478 -4.212 1.00 0.00 C ATOM 119 O LEU A 11 -1.132 1.316 -4.955 1.00 0.00 O ATOM 120 CB LEU A 11 -3.248 -0.404 -3.043 1.00 0.00 C ATOM 121 CG LEU A 11 -3.254 -1.448 -1.924 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.395 -2.436 -2.122 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.921 -2.177 -1.869 1.00 0.00 C ATOM 0 H LEU A 11 -3.415 1.329 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.243 0.281 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.239 0.046 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.073 -0.914 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.405 -0.934 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.384 -3.171 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.345 -1.902 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.275 -2.944 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.943 -2.916 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.741 -2.679 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.122 -1.460 -1.680 1.00 0.00 H new ATOM 135 N LYS A 12 -3.092 2.318 -4.493 1.00 0.00 N ATOM 136 CA LYS A 12 -3.112 3.065 -5.741 1.00 0.00 C ATOM 137 C LYS A 12 -2.003 4.107 -5.770 1.00 0.00 C ATOM 138 O LYS A 12 -1.331 4.263 -6.779 1.00 0.00 O ATOM 139 CB LYS A 12 -4.466 3.739 -5.960 1.00 0.00 C ATOM 140 CG LYS A 12 -4.615 4.363 -7.336 1.00 0.00 C ATOM 141 CD LYS A 12 -5.978 5.008 -7.521 1.00 0.00 C ATOM 142 CE LYS A 12 -6.167 6.214 -6.610 1.00 0.00 C ATOM 143 NZ LYS A 12 -5.148 7.268 -6.858 1.00 0.00 N ATOM 0 H LYS A 12 -3.885 2.497 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.945 2.353 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.257 3.003 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.606 4.510 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.836 5.112 -7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.469 3.599 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.095 5.317 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.757 4.274 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.163 6.630 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.111 5.894 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.579 8.205 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.359 7.152 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.792 7.185 -7.832 1.00 0.00 H new ATOM 157 N GLU A 13 -1.802 4.802 -4.659 1.00 0.00 N ATOM 158 CA GLU A 13 -0.778 5.844 -4.597 1.00 0.00 C ATOM 159 C GLU A 13 0.619 5.250 -4.767 1.00 0.00 C ATOM 160 O GLU A 13 1.490 5.859 -5.386 1.00 0.00 O ATOM 161 CB GLU A 13 -0.875 6.626 -3.284 1.00 0.00 C ATOM 162 CG GLU A 13 -2.209 7.334 -3.097 1.00 0.00 C ATOM 163 CD GLU A 13 -2.572 8.232 -4.263 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.180 7.735 -5.232 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.260 9.443 -4.213 1.00 0.00 O ATOM 0 H GLU A 13 -2.327 4.668 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.955 6.536 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.715 5.942 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.073 7.363 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.993 6.589 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.173 7.929 -2.185 1.00 0.00 H new ATOM 172 N ILE A 14 0.827 4.057 -4.222 1.00 0.00 N ATOM 173 CA ILE A 14 2.073 3.335 -4.439 1.00 0.00 C ATOM 174 C ILE A 14 2.209 2.953 -5.911 1.00 0.00 C ATOM 175 O ILE A 14 3.276 3.097 -6.506 1.00 0.00 O ATOM 176 CB ILE A 14 2.158 2.061 -3.565 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.247 2.432 -2.082 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.352 1.206 -3.970 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.271 1.236 -1.152 1.00 0.00 C ATOM 0 H ILE A 14 0.153 3.572 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 14 2.889 3.998 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 14 1.250 1.479 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.147 3.025 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.397 3.064 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.392 0.316 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.250 0.910 -5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.270 1.780 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.335 1.579 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.359 0.653 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.136 0.614 -1.382 1.00 0.00 H new ATOM 191 N PHE A 15 1.110 2.500 -6.493 1.00 0.00 N ATOM 192 CA PHE A 15 1.090 2.059 -7.880 1.00 0.00 C ATOM 193 C PHE A 15 1.302 3.231 -8.842 1.00 0.00 C ATOM 194 O PHE A 15 2.155 3.168 -9.726 1.00 0.00 O ATOM 195 CB PHE A 15 -0.239 1.358 -8.172 1.00 0.00 C ATOM 196 CG PHE A 15 -0.348 0.789 -9.562 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.428 -0.294 -9.945 1.00 0.00 C ATOM 198 CD2 PHE A 15 -1.236 1.330 -10.480 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.321 -0.826 -11.217 1.00 0.00 C ATOM 200 CE2 PHE A 15 -1.345 0.802 -11.754 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.566 -0.278 -12.121 1.00 0.00 C ATOM 0 H PHE A 15 0.209 2.427 -6.020 1.00 0.00 H new ATOM 0 HA PHE A 15 1.911 1.359 -8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.378 0.553 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.052 2.067 -8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.124 -0.727 -9.242 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.849 2.173 -10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.931 -1.670 -11.503 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.038 1.234 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.651 -0.693 -13.114 1.00 0.00 H new ATOM 211 N GLU A 16 0.538 4.304 -8.658 1.00 0.00 N ATOM 212 CA GLU A 16 0.605 5.452 -9.558 1.00 0.00 C ATOM 213 C GLU A 16 1.878 6.260 -9.321 1.00 0.00 C ATOM 214 O GLU A 16 2.441 6.837 -10.252 1.00 0.00 O ATOM 215 CB GLU A 16 -0.617 6.368 -9.391 1.00 0.00 C ATOM 216 CG GLU A 16 -1.961 5.653 -9.450 1.00 0.00 C ATOM 217 CD GLU A 16 -3.077 6.558 -9.935 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.267 6.666 -11.164 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.765 7.171 -9.094 1.00 0.00 O ATOM 0 H GLU A 16 -0.133 4.403 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 16 0.613 5.060 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.538 6.886 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.592 7.130 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.882 4.791 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.210 5.272 -8.460 1.00 0.00 H new ATOM 226 N GLY A 17 2.326 6.302 -8.075 1.00 0.00 N ATOM 227 CA GLY A 17 3.480 7.110 -7.726 1.00 0.00 C ATOM 228 C GLY A 17 4.797 6.375 -7.889 1.00 0.00 C ATOM 229 O GLY A 17 5.814 6.995 -8.198 1.00 0.00 O ATOM 0 H GLY A 17 1.911 5.790 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.491 8.004 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.383 7.443 -6.693 1.00 0.00 H new ATOM 233 N ASN A 18 4.769 5.056 -7.680 1.00 0.00 N ATOM 234 CA ASN A 18 5.966 4.204 -7.753 1.00 0.00 C ATOM 235 C ASN A 18 6.881 4.453 -6.546 1.00 0.00 C ATOM 236 O ASN A 18 8.056 4.096 -6.563 1.00 0.00 O ATOM 237 CB ASN A 18 6.720 4.431 -9.077 1.00 0.00 C ATOM 238 CG ASN A 18 7.817 3.410 -9.348 1.00 0.00 C ATOM 239 OD1 ASN A 18 7.624 2.181 -8.889 1.00 0.00 O flip ATOM 240 ND2 ASN A 18 8.825 3.722 -9.985 1.00 0.00 N flip ATOM 0 H ASN A 18 3.916 4.545 -7.455 1.00 0.00 H new ATOM 0 HA ASN A 18 5.647 3.162 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.005 4.407 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.160 5.428 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.939 4.678 -10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.545 3.025 -10.175 1.00 0.00 H new ATOM 247 N THR A 19 6.298 5.041 -5.490 1.00 0.00 N ATOM 248 CA THR A 19 6.991 5.336 -4.221 1.00 0.00 C ATOM 249 C THR A 19 8.250 6.201 -4.406 1.00 0.00 C ATOM 250 O THR A 19 8.679 6.461 -5.528 1.00 0.00 O ATOM 251 CB THR A 19 7.322 4.046 -3.415 1.00 0.00 C ATOM 252 OG1 THR A 19 7.888 3.027 -4.248 1.00 0.00 O ATOM 253 CG2 THR A 19 6.071 3.511 -2.737 1.00 0.00 C ATOM 0 H THR A 19 5.320 5.330 -5.491 1.00 0.00 H new ATOM 0 HA THR A 19 6.283 5.924 -3.638 1.00 0.00 H new ATOM 0 HB THR A 19 8.061 4.317 -2.661 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.330 3.442 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.318 2.609 -2.177 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.676 4.264 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.321 3.276 -3.492 1.00 0.00 H new ATOM 261 N PRO A 20 8.842 6.714 -3.310 1.00 0.00 N ATOM 262 CA PRO A 20 8.357 6.537 -1.941 1.00 0.00 C ATOM 263 C PRO A 20 7.397 7.649 -1.518 1.00 0.00 C ATOM 264 O PRO A 20 7.425 8.749 -2.072 1.00 0.00 O ATOM 265 CB PRO A 20 9.646 6.632 -1.136 1.00 0.00 C ATOM 266 CG PRO A 20 10.493 7.601 -1.890 1.00 0.00 C ATOM 267 CD PRO A 20 10.064 7.531 -3.336 1.00 0.00 C ATOM 0 HA PRO A 20 7.798 5.611 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.454 6.980 -0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.134 5.661 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.366 8.610 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.549 7.350 -1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.871 8.524 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.834 7.076 -3.958 1.00 0.00 H new ATOM 275 N LEU A 21 6.550 7.364 -0.540 1.00 0.00 N ATOM 276 CA LEU A 21 5.654 8.377 0.000 1.00 0.00 C ATOM 277 C LEU A 21 5.369 8.108 1.474 1.00 0.00 C ATOM 278 O LEU A 21 5.079 6.977 1.871 1.00 0.00 O ATOM 279 CB LEU A 21 4.337 8.461 -0.798 1.00 0.00 C ATOM 280 CG LEU A 21 3.336 7.313 -0.601 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.994 7.682 -1.208 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.845 6.021 -1.221 1.00 0.00 C ATOM 0 H LEU A 21 6.464 6.445 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 21 6.155 9.340 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.840 9.395 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.585 8.518 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 21 3.218 7.152 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.291 6.862 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.610 8.579 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.117 7.871 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.113 5.229 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.998 6.166 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.789 5.740 -0.754 1.00 0.00 H new ATOM 294 N SER A 22 5.500 9.141 2.289 1.00 0.00 N ATOM 295 CA SER A 22 5.181 9.049 3.701 1.00 0.00 C ATOM 296 C SER A 22 3.689 9.293 3.916 1.00 0.00 C ATOM 297 O SER A 22 2.977 9.683 2.986 1.00 0.00 O ATOM 298 CB SER A 22 6.021 10.053 4.491 1.00 0.00 C ATOM 299 OG SER A 22 7.404 9.874 4.226 1.00 0.00 O ATOM 0 H SER A 22 5.828 10.060 1.992 1.00 0.00 H new ATOM 0 HA SER A 22 5.417 8.048 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.724 11.068 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.832 9.932 5.558 1.00 0.00 H new ATOM 0 HG SER A 22 7.923 10.527 4.740 1.00 0.00 H new ATOM 305 N GLU A 23 3.214 9.046 5.131 1.00 0.00 N ATOM 306 CA GLU A 23 1.801 9.210 5.445 1.00 0.00 C ATOM 307 C GLU A 23 1.331 10.649 5.213 1.00 0.00 C ATOM 308 O GLU A 23 0.217 10.874 4.732 1.00 0.00 O ATOM 309 CB GLU A 23 1.504 8.739 6.881 1.00 0.00 C ATOM 310 CG GLU A 23 2.629 8.966 7.889 1.00 0.00 C ATOM 311 CD GLU A 23 2.840 10.423 8.250 1.00 0.00 C ATOM 312 OE1 GLU A 23 2.071 10.956 9.080 1.00 0.00 O ATOM 313 OE2 GLU A 23 3.784 11.035 7.713 1.00 0.00 O ATOM 0 H GLU A 23 3.787 8.732 5.914 1.00 0.00 H new ATOM 0 HA GLU A 23 1.232 8.580 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.611 9.253 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.271 7.675 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.410 8.404 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.557 8.564 7.481 1.00 0.00 H new ATOM 320 N ASN A 24 2.190 11.612 5.513 1.00 0.00 N ATOM 321 CA ASN A 24 1.866 13.018 5.313 1.00 0.00 C ATOM 322 C ASN A 24 1.770 13.350 3.823 1.00 0.00 C ATOM 323 O ASN A 24 1.068 14.283 3.429 1.00 0.00 O ATOM 324 CB ASN A 24 2.914 13.911 5.991 1.00 0.00 C ATOM 325 CG ASN A 24 4.271 13.858 5.312 1.00 0.00 C ATOM 326 OD1 ASN A 24 5.100 12.996 5.609 1.00 0.00 O ATOM 327 ND2 ASN A 24 4.512 14.793 4.406 1.00 0.00 N ATOM 0 H ASN A 24 3.120 11.445 5.897 1.00 0.00 H new ATOM 0 HA ASN A 24 0.895 13.210 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.557 14.941 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.023 13.607 7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.411 14.817 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.798 15.489 4.189 1.00 0.00 H new ATOM 334 N ASP A 25 2.470 12.576 2.999 1.00 0.00 N ATOM 335 CA ASP A 25 2.462 12.782 1.553 1.00 0.00 C ATOM 336 C ASP A 25 1.148 12.308 0.955 1.00 0.00 C ATOM 337 O ASP A 25 0.508 13.023 0.181 1.00 0.00 O ATOM 338 CB ASP A 25 3.614 12.027 0.879 1.00 0.00 C ATOM 339 CG ASP A 25 4.981 12.562 1.246 1.00 0.00 C ATOM 340 OD1 ASP A 25 5.543 12.120 2.266 1.00 0.00 O ATOM 341 OD2 ASP A 25 5.515 13.407 0.504 1.00 0.00 O ATOM 0 H ASP A 25 3.052 11.798 3.309 1.00 0.00 H new ATOM 0 HA ASP A 25 2.584 13.851 1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.558 10.974 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.490 12.080 -0.203 1.00 0.00 H new ATOM 346 N ILE A 26 0.750 11.099 1.326 1.00 0.00 N ATOM 347 CA ILE A 26 -0.453 10.486 0.779 1.00 0.00 C ATOM 348 C ILE A 26 -1.722 11.078 1.403 1.00 0.00 C ATOM 349 O ILE A 26 -2.744 11.216 0.731 1.00 0.00 O ATOM 350 CB ILE A 26 -0.429 8.950 0.960 1.00 0.00 C ATOM 351 CG1 ILE A 26 -1.697 8.320 0.380 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.255 8.575 2.425 1.00 0.00 C ATOM 353 CD1 ILE A 26 -1.750 6.819 0.530 1.00 0.00 C ATOM 0 H ILE A 26 1.244 10.521 2.006 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.469 10.707 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 26 0.428 8.557 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.567 8.757 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.767 8.574 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.242 7.490 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.684 8.985 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.083 8.982 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.676 6.442 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.900 6.372 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.712 6.557 1.587 1.00 0.00 H new ATOM 365 N GLY A 27 -1.652 11.436 2.680 1.00 0.00 N ATOM 366 CA GLY A 27 -2.784 12.065 3.330 1.00 0.00 C ATOM 367 C GLY A 27 -3.405 11.206 4.413 1.00 0.00 C ATOM 368 O GLY A 27 -4.598 11.322 4.698 1.00 0.00 O ATOM 0 H GLY A 27 -0.834 11.302 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.464 13.012 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.541 12.298 2.581 1.00 0.00 H new ATOM 372 N VAL A 28 -2.604 10.350 5.027 1.00 0.00 N ATOM 373 CA VAL A 28 -3.086 9.508 6.116 1.00 0.00 C ATOM 374 C VAL A 28 -2.191 9.667 7.335 1.00 0.00 C ATOM 375 O VAL A 28 -1.156 10.321 7.267 1.00 0.00 O ATOM 376 CB VAL A 28 -3.151 8.013 5.722 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.113 7.799 4.563 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.769 7.479 5.376 1.00 0.00 C ATOM 0 H VAL A 28 -1.620 10.218 4.793 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.099 9.836 6.347 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.524 7.457 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.141 6.740 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.111 8.129 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.777 8.374 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.844 6.426 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.360 8.043 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.112 7.584 6.239 1.00 0.00 H new ATOM 388 N THR A 29 -2.595 9.088 8.451 1.00 0.00 N ATOM 389 CA THR A 29 -1.806 9.161 9.671 1.00 0.00 C ATOM 390 C THR A 29 -0.746 8.064 9.699 1.00 0.00 C ATOM 391 O THR A 29 -0.827 7.103 8.929 1.00 0.00 O ATOM 392 CB THR A 29 -2.708 9.030 10.911 1.00 0.00 C ATOM 393 OG1 THR A 29 -3.491 7.830 10.814 1.00 0.00 O ATOM 394 CG2 THR A 29 -3.631 10.233 11.042 1.00 0.00 C ATOM 0 H THR A 29 -3.464 8.562 8.540 1.00 0.00 H new ATOM 0 HA THR A 29 -1.313 10.133 9.688 1.00 0.00 H new ATOM 0 HB THR A 29 -2.073 8.985 11.795 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.267 7.897 11.408 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.258 10.116 11.926 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.035 11.140 11.138 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.262 10.305 10.156 1.00 0.00 H new ATOM 402 N GLU A 30 0.247 8.210 10.577 1.00 0.00 N ATOM 403 CA GLU A 30 1.227 7.151 10.812 1.00 0.00 C ATOM 404 C GLU A 30 0.485 5.890 11.200 1.00 0.00 C ATOM 405 O GLU A 30 0.798 4.795 10.740 1.00 0.00 O ATOM 406 CB GLU A 30 2.179 7.527 11.948 1.00 0.00 C ATOM 407 CG GLU A 30 2.759 8.920 11.830 1.00 0.00 C ATOM 408 CD GLU A 30 3.616 9.285 13.022 1.00 0.00 C ATOM 409 OE1 GLU A 30 4.761 8.797 13.111 1.00 0.00 O ATOM 410 OE2 GLU A 30 3.140 10.060 13.880 1.00 0.00 O ATOM 0 H GLU A 30 0.393 9.050 11.136 1.00 0.00 H new ATOM 0 HA GLU A 30 1.810 7.002 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.647 7.445 12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.996 6.806 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.357 8.987 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.948 9.642 11.733 1.00 0.00 H new ATOM 417 N ASP A 31 -0.514 6.090 12.053 1.00 0.00 N ATOM 418 CA ASP A 31 -1.417 5.035 12.490 1.00 0.00 C ATOM 419 C ASP A 31 -1.917 4.237 11.303 1.00 0.00 C ATOM 420 O ASP A 31 -1.659 3.044 11.177 1.00 0.00 O ATOM 421 CB ASP A 31 -2.623 5.668 13.176 1.00 0.00 C ATOM 422 CG ASP A 31 -3.491 4.654 13.890 1.00 0.00 C ATOM 423 OD1 ASP A 31 -3.156 4.273 15.030 1.00 0.00 O ATOM 424 OD2 ASP A 31 -4.514 4.230 13.315 1.00 0.00 O ATOM 0 H ASP A 31 -0.721 7.000 12.464 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.879 4.376 13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.278 6.413 13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.223 6.194 12.433 1.00 0.00 H new ATOM 429 N GLN A 32 -2.616 4.939 10.433 1.00 0.00 N ATOM 430 CA GLN A 32 -3.271 4.346 9.288 1.00 0.00 C ATOM 431 C GLN A 32 -2.266 3.735 8.320 1.00 0.00 C ATOM 432 O GLN A 32 -2.434 2.605 7.876 1.00 0.00 O ATOM 433 CB GLN A 32 -4.073 5.428 8.587 1.00 0.00 C ATOM 434 CG GLN A 32 -5.097 4.906 7.610 1.00 0.00 C ATOM 435 CD GLN A 32 -6.099 3.969 8.253 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.915 2.753 8.262 1.00 0.00 O ATOM 437 NE2 GLN A 32 -7.156 4.535 8.812 1.00 0.00 N ATOM 0 H GLN A 32 -2.745 5.948 10.504 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.923 3.541 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.580 6.033 9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.386 6.088 8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.628 5.747 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.587 4.385 6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.268 5.548 8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.859 3.958 9.274 1.00 0.00 H new ATOM 446 N PHE A 33 -1.224 4.494 8.003 1.00 0.00 N ATOM 447 CA PHE A 33 -0.232 4.076 7.020 1.00 0.00 C ATOM 448 C PHE A 33 0.505 2.828 7.489 1.00 0.00 C ATOM 449 O PHE A 33 0.572 1.831 6.771 1.00 0.00 O ATOM 450 CB PHE A 33 0.762 5.209 6.767 1.00 0.00 C ATOM 451 CG PHE A 33 1.634 4.995 5.563 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.175 5.326 4.299 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.907 4.464 5.693 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.968 5.133 3.186 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.704 4.268 4.582 1.00 0.00 C ATOM 456 CZ PHE A 33 3.234 4.602 3.327 1.00 0.00 C ATOM 0 H PHE A 33 -1.043 5.409 8.416 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.749 3.838 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.211 6.142 6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.396 5.327 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.184 5.740 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.280 4.201 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.598 5.397 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.695 3.853 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.856 4.448 2.458 1.00 0.00 H new ATOM 466 N ASP A 34 1.034 2.885 8.704 1.00 0.00 N ATOM 467 CA ASP A 34 1.810 1.781 9.256 1.00 0.00 C ATOM 468 C ASP A 34 0.933 0.548 9.438 1.00 0.00 C ATOM 469 O ASP A 34 1.314 -0.559 9.052 1.00 0.00 O ATOM 470 CB ASP A 34 2.443 2.202 10.586 1.00 0.00 C ATOM 471 CG ASP A 34 3.155 1.074 11.304 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.158 0.554 10.775 1.00 0.00 O ATOM 473 OD2 ASP A 34 2.742 0.736 12.432 1.00 0.00 O ATOM 0 H ASP A 34 0.940 3.686 9.328 1.00 0.00 H new ATOM 0 HA ASP A 34 2.607 1.525 8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.152 3.009 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.666 2.603 11.237 1.00 0.00 H new ATOM 478 N ASP A 35 -0.254 0.747 9.999 1.00 0.00 N ATOM 479 CA ASP A 35 -1.205 -0.346 10.197 1.00 0.00 C ATOM 480 C ASP A 35 -1.619 -0.940 8.853 1.00 0.00 C ATOM 481 O ASP A 35 -1.743 -2.158 8.712 1.00 0.00 O ATOM 482 CB ASP A 35 -2.437 0.148 10.964 1.00 0.00 C ATOM 483 CG ASP A 35 -3.414 -0.960 11.315 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.123 -1.748 12.241 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.491 -1.035 10.683 1.00 0.00 O ATOM 0 H ASP A 35 -0.583 1.655 10.326 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.720 -1.124 10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.112 0.639 11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.951 0.899 10.365 1.00 0.00 H new ATOM 490 N ALA A 36 -1.817 -0.074 7.860 1.00 0.00 N ATOM 491 CA ALA A 36 -2.180 -0.523 6.522 1.00 0.00 C ATOM 492 C ALA A 36 -1.102 -1.404 5.910 1.00 0.00 C ATOM 493 O ALA A 36 -1.400 -2.491 5.423 1.00 0.00 O ATOM 494 CB ALA A 36 -2.461 0.658 5.613 1.00 0.00 C ATOM 0 H ALA A 36 -1.732 0.938 7.959 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.087 -1.119 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.730 0.297 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.285 1.244 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.571 1.283 5.543 1.00 0.00 H new ATOM 500 N VAL A 37 0.143 -0.939 5.933 1.00 0.00 N ATOM 501 CA VAL A 37 1.246 -1.690 5.337 1.00 0.00 C ATOM 502 C VAL A 37 1.369 -3.075 5.970 1.00 0.00 C ATOM 503 O VAL A 37 1.572 -4.070 5.272 1.00 0.00 O ATOM 504 CB VAL A 37 2.593 -0.944 5.463 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.725 -1.771 4.869 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.521 0.414 4.784 1.00 0.00 C ATOM 0 H VAL A 37 0.414 -0.051 6.355 1.00 0.00 H new ATOM 0 HA VAL A 37 1.014 -1.796 4.277 1.00 0.00 H new ATOM 0 HB VAL A 37 2.796 -0.791 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.664 -1.227 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.798 -2.721 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.524 -1.958 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.480 0.922 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.290 0.281 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.741 1.014 5.253 1.00 0.00 H new ATOM 516 N ASN A 38 1.221 -3.136 7.289 1.00 0.00 N ATOM 517 CA ASN A 38 1.275 -4.408 8.003 1.00 0.00 C ATOM 518 C ASN A 38 0.151 -5.331 7.557 1.00 0.00 C ATOM 519 O ASN A 38 0.379 -6.510 7.292 1.00 0.00 O ATOM 520 CB ASN A 38 1.215 -4.199 9.519 1.00 0.00 C ATOM 521 CG ASN A 38 2.554 -3.796 10.106 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.381 -4.647 10.433 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.779 -2.501 10.252 1.00 0.00 N ATOM 0 H ASN A 38 1.063 -2.323 7.884 1.00 0.00 H new ATOM 0 HA ASN A 38 2.228 -4.877 7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.476 -3.430 9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.876 -5.119 9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.662 -2.178 10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.069 -1.825 9.969 1.00 0.00 H new ATOM 530 N PHE A 39 -1.058 -4.787 7.458 1.00 0.00 N ATOM 531 CA PHE A 39 -2.212 -5.558 7.002 1.00 0.00 C ATOM 532 C PHE A 39 -2.030 -5.995 5.548 1.00 0.00 C ATOM 533 O PHE A 39 -2.348 -7.126 5.178 1.00 0.00 O ATOM 534 CB PHE A 39 -3.494 -4.733 7.147 1.00 0.00 C ATOM 535 CG PHE A 39 -4.727 -5.431 6.645 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.302 -6.457 7.375 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.310 -5.056 5.443 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.439 -7.097 6.917 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.445 -5.693 4.981 1.00 0.00 C ATOM 540 CZ PHE A 39 -7.011 -6.715 5.718 1.00 0.00 C ATOM 0 H PHE A 39 -1.265 -3.815 7.687 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.294 -6.450 7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.634 -4.479 8.198 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.374 -3.795 6.606 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.858 -6.761 8.312 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.872 -4.258 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.880 -7.895 7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.890 -5.392 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.898 -7.214 5.358 1.00 0.00 H new ATOM 550 N LEU A 40 -1.506 -5.091 4.734 1.00 0.00 N ATOM 551 CA LEU A 40 -1.279 -5.363 3.324 1.00 0.00 C ATOM 552 C LEU A 40 -0.255 -6.478 3.135 1.00 0.00 C ATOM 553 O LEU A 40 -0.469 -7.397 2.345 1.00 0.00 O ATOM 554 CB LEU A 40 -0.810 -4.094 2.613 1.00 0.00 C ATOM 555 CG LEU A 40 -1.863 -2.999 2.459 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.217 -1.710 1.976 1.00 0.00 C ATOM 557 CD2 LEU A 40 -2.941 -3.443 1.487 1.00 0.00 C ATOM 0 H LEU A 40 -1.228 -4.155 5.030 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.222 -5.692 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.038 -3.684 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.447 -4.367 1.622 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.321 -2.815 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.979 -0.938 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.469 -1.385 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.739 -1.882 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.686 -2.654 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.493 -3.646 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.419 -4.348 1.862 1.00 0.00 H new ATOM 569 N LYS A 41 0.851 -6.404 3.867 1.00 0.00 N ATOM 570 CA LYS A 41 1.889 -7.425 3.780 1.00 0.00 C ATOM 571 C LYS A 41 1.401 -8.724 4.407 1.00 0.00 C ATOM 572 O LYS A 41 1.838 -9.809 4.025 1.00 0.00 O ATOM 573 CB LYS A 41 3.176 -6.956 4.471 1.00 0.00 C ATOM 574 CG LYS A 41 4.364 -7.884 4.244 1.00 0.00 C ATOM 575 CD LYS A 41 5.620 -7.385 4.944 1.00 0.00 C ATOM 576 CE LYS A 41 5.523 -7.503 6.460 1.00 0.00 C ATOM 577 NZ LYS A 41 5.582 -8.914 6.927 1.00 0.00 N ATOM 0 H LYS A 41 1.052 -5.651 4.525 1.00 0.00 H new ATOM 0 HA LYS A 41 2.110 -7.599 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.430 -5.959 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.993 -6.870 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.119 -8.882 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.556 -7.972 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.480 -7.955 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.795 -6.344 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.335 -6.938 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.590 -7.051 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.615 -8.935 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.738 -9.425 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.435 -9.371 6.545 1.00 0.00 H new ATOM 591 N ARG A 42 0.473 -8.597 5.350 1.00 0.00 N ATOM 592 CA ARG A 42 -0.071 -9.744 6.067 1.00 0.00 C ATOM 593 C ARG A 42 -0.662 -10.762 5.098 1.00 0.00 C ATOM 594 O ARG A 42 -0.303 -11.936 5.130 1.00 0.00 O ATOM 595 CB ARG A 42 -1.152 -9.294 7.053 1.00 0.00 C ATOM 596 CG ARG A 42 -1.374 -10.263 8.200 1.00 0.00 C ATOM 597 CD ARG A 42 -0.274 -10.138 9.243 1.00 0.00 C ATOM 598 NE ARG A 42 -0.360 -11.183 10.260 1.00 0.00 N ATOM 599 CZ ARG A 42 -0.789 -10.987 11.505 1.00 0.00 C ATOM 600 NH1 ARG A 42 -1.199 -9.783 11.898 1.00 0.00 N ATOM 601 NH2 ARG A 42 -0.808 -12.000 12.362 1.00 0.00 N ATOM 0 H ARG A 42 0.079 -7.701 5.637 1.00 0.00 H new ATOM 0 HA ARG A 42 0.746 -10.212 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.878 -8.321 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.090 -9.162 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.342 -10.068 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.403 -11.283 7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.698 -10.189 8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.338 -9.161 9.722 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.072 -12.126 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.186 -9.001 11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.526 -9.642 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.495 -12.924 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.136 -11.854 13.317 1.00 0.00 H new ATOM 615 N GLU A 43 -1.565 -10.308 4.235 1.00 0.00 N ATOM 616 CA GLU A 43 -2.195 -11.201 3.269 1.00 0.00 C ATOM 617 C GLU A 43 -1.386 -11.259 1.975 1.00 0.00 C ATOM 618 O GLU A 43 -1.667 -12.069 1.090 1.00 0.00 O ATOM 619 CB GLU A 43 -3.633 -10.764 2.972 1.00 0.00 C ATOM 620 CG GLU A 43 -4.505 -10.625 4.211 1.00 0.00 C ATOM 621 CD GLU A 43 -5.985 -10.640 3.885 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.449 -9.755 3.137 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.690 -11.553 4.369 1.00 0.00 O ATOM 0 H GLU A 43 -1.875 -9.337 4.184 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.222 -12.198 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.611 -9.809 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.090 -11.488 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.280 -11.437 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.258 -9.694 4.722 1.00 0.00 H new ATOM 630 N GLY A 44 -0.386 -10.393 1.871 1.00 0.00 N ATOM 631 CA GLY A 44 0.506 -10.415 0.729 1.00 0.00 C ATOM 632 C GLY A 44 -0.016 -9.611 -0.443 1.00 0.00 C ATOM 633 O GLY A 44 -0.137 -10.130 -1.554 1.00 0.00 O ATOM 0 H GLY A 44 -0.176 -9.672 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.479 -10.024 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.660 -11.447 0.415 1.00 0.00 H new ATOM 637 N TYR A 45 -0.344 -8.351 -0.197 1.00 0.00 N ATOM 638 CA TYR A 45 -0.779 -7.453 -1.260 1.00 0.00 C ATOM 639 C TYR A 45 0.420 -6.812 -1.947 1.00 0.00 C ATOM 640 O TYR A 45 0.423 -6.625 -3.165 1.00 0.00 O ATOM 641 CB TYR A 45 -1.715 -6.373 -0.710 1.00 0.00 C ATOM 642 CG TYR A 45 -3.085 -6.897 -0.345 1.00 0.00 C ATOM 643 CD1 TYR A 45 -3.321 -7.492 0.887 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.141 -6.810 -1.243 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.568 -7.984 1.213 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.391 -7.303 -0.923 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.598 -7.887 0.307 1.00 0.00 C ATOM 648 OH TYR A 45 -6.834 -8.395 0.621 1.00 0.00 O ATOM 0 H TYR A 45 -0.318 -7.926 0.730 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.327 -8.042 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.260 -5.922 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.822 -5.583 -1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.515 -7.571 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.982 -6.350 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.735 -8.444 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.201 -7.231 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.779 -8.891 1.465 1.00 0.00 H new ATOM 658 N ILE A 46 1.435 -6.471 -1.163 1.00 0.00 N ATOM 659 CA ILE A 46 2.667 -5.917 -1.711 1.00 0.00 C ATOM 660 C ILE A 46 3.876 -6.632 -1.120 1.00 0.00 C ATOM 661 O ILE A 46 3.832 -7.117 0.013 1.00 0.00 O ATOM 662 CB ILE A 46 2.812 -4.383 -1.483 1.00 0.00 C ATOM 663 CG1 ILE A 46 3.128 -4.036 -0.018 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.562 -3.648 -1.944 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.039 -4.392 0.967 1.00 0.00 C ATOM 0 H ILE A 46 1.430 -6.568 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 46 2.618 -6.077 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 46 3.659 -4.053 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.044 -4.550 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.327 -2.967 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.686 -2.578 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.403 -3.832 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.700 -4.007 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.352 -4.110 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.125 -3.857 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.853 -5.466 0.932 1.00 0.00 H new ATOM 677 N ILE A 47 4.943 -6.707 -1.898 1.00 0.00 N ATOM 678 CA ILE A 47 6.171 -7.362 -1.469 1.00 0.00 C ATOM 679 C ILE A 47 7.357 -6.420 -1.645 1.00 0.00 C ATOM 680 O ILE A 47 7.236 -5.388 -2.299 1.00 0.00 O ATOM 681 CB ILE A 47 6.425 -8.664 -2.262 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.364 -8.392 -3.767 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.419 -9.736 -1.861 1.00 0.00 C ATOM 684 CD1 ILE A 47 6.599 -9.617 -4.622 1.00 0.00 C ATOM 0 H ILE A 47 4.984 -6.318 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 47 6.058 -7.619 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 47 7.424 -9.030 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.388 -7.973 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.108 -7.636 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.612 -10.646 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.516 -9.945 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.409 -9.384 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.540 -9.342 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.587 -10.026 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.840 -10.367 -4.399 1.00 0.00 H new ATOM 696 N GLY A 48 8.493 -6.767 -1.059 1.00 0.00 N ATOM 697 CA GLY A 48 9.669 -5.923 -1.165 1.00 0.00 C ATOM 698 C GLY A 48 9.747 -4.893 -0.056 1.00 0.00 C ATOM 699 O GLY A 48 10.582 -3.986 -0.094 1.00 0.00 O ATOM 0 H GLY A 48 8.623 -7.618 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.563 -6.546 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.661 -5.414 -2.129 1.00 0.00 H new ATOM 703 N VAL A 49 8.880 -5.038 0.935 1.00 0.00 N ATOM 704 CA VAL A 49 8.846 -4.115 2.057 1.00 0.00 C ATOM 705 C VAL A 49 9.949 -4.445 3.058 1.00 0.00 C ATOM 706 O VAL A 49 10.052 -5.578 3.532 1.00 0.00 O ATOM 707 CB VAL A 49 7.479 -4.147 2.775 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.435 -3.120 3.894 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.345 -3.909 1.790 1.00 0.00 C ATOM 0 H VAL A 49 8.190 -5.788 0.984 1.00 0.00 H new ATOM 0 HA VAL A 49 9.005 -3.114 1.656 1.00 0.00 H new ATOM 0 HB VAL A 49 7.351 -5.137 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.463 -3.160 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.219 -3.339 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.592 -2.124 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.392 -3.936 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.471 -2.934 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.358 -4.686 1.026 1.00 0.00 H new ATOM 719 N HIS A 50 10.779 -3.459 3.365 1.00 0.00 N ATOM 720 CA HIS A 50 11.860 -3.646 4.319 1.00 0.00 C ATOM 721 C HIS A 50 11.471 -3.094 5.684 1.00 0.00 C ATOM 722 O HIS A 50 11.081 -1.932 5.810 1.00 0.00 O ATOM 723 CB HIS A 50 13.143 -2.967 3.818 1.00 0.00 C ATOM 724 CG HIS A 50 14.294 -3.062 4.778 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.945 -1.959 5.289 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.906 -4.140 5.323 1.00 0.00 C ATOM 727 CE1 HIS A 50 15.902 -2.356 6.109 1.00 0.00 C ATOM 728 NE2 HIS A 50 15.900 -3.675 6.145 1.00 0.00 N ATOM 0 H HIS A 50 10.724 -2.522 2.967 1.00 0.00 H new ATOM 0 HA HIS A 50 12.047 -4.715 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.435 -3.418 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.933 -1.916 3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.657 -5.175 5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.572 -1.710 6.657 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.535 -4.254 6.695 1.00 0.00 H new ATOM 737 N TYR A 51 11.568 -3.943 6.694 1.00 0.00 N ATOM 738 CA TYR A 51 11.348 -3.533 8.072 1.00 0.00 C ATOM 739 C TYR A 51 12.681 -3.270 8.749 1.00 0.00 C ATOM 740 O TYR A 51 13.635 -4.025 8.559 1.00 0.00 O ATOM 741 CB TYR A 51 10.603 -4.620 8.854 1.00 0.00 C ATOM 742 CG TYR A 51 9.105 -4.658 8.629 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.520 -4.053 7.523 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.272 -5.299 9.540 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.151 -4.087 7.332 1.00 0.00 C ATOM 746 CE2 TYR A 51 6.903 -5.335 9.355 1.00 0.00 C ATOM 747 CZ TYR A 51 6.348 -4.728 8.249 1.00 0.00 C ATOM 748 OH TYR A 51 4.986 -4.766 8.055 1.00 0.00 O ATOM 0 H TYR A 51 11.800 -4.930 6.584 1.00 0.00 H new ATOM 0 HA TYR A 51 10.745 -2.625 8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.020 -5.590 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.792 -4.475 9.918 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.145 -3.548 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.703 -5.777 10.407 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.713 -3.612 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.271 -5.836 10.073 1.00 0.00 H new ATOM 0 HH TYR A 51 4.533 -4.818 8.923 1.00 0.00 H new ATOM 758 N SER A 52 12.751 -2.202 9.527 1.00 0.00 N ATOM 759 CA SER A 52 13.946 -1.922 10.304 1.00 0.00 C ATOM 760 C SER A 52 13.981 -2.827 11.524 1.00 0.00 C ATOM 761 O SER A 52 14.724 -3.811 11.565 1.00 0.00 O ATOM 762 CB SER A 52 13.984 -0.449 10.714 1.00 0.00 C ATOM 763 OG SER A 52 13.917 0.385 9.575 1.00 0.00 O ATOM 0 H SER A 52 12.001 -1.520 9.637 1.00 0.00 H new ATOM 0 HA SER A 52 14.827 -2.121 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.151 -0.230 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.899 -0.244 11.269 1.00 0.00 H new ATOM 0 HG SER A 52 12.987 0.456 9.275 1.00 0.00 H new ATOM 769 N ASP A 53 13.160 -2.500 12.505 1.00 0.00 N ATOM 770 CA ASP A 53 12.963 -3.360 13.664 1.00 0.00 C ATOM 771 C ASP A 53 11.527 -3.846 13.690 1.00 0.00 C ATOM 772 O ASP A 53 11.209 -4.872 14.296 1.00 0.00 O ATOM 773 CB ASP A 53 13.275 -2.614 14.964 1.00 0.00 C ATOM 774 CG ASP A 53 14.749 -2.326 15.137 1.00 0.00 C ATOM 775 OD1 ASP A 53 15.494 -3.250 15.513 1.00 0.00 O ATOM 776 OD2 ASP A 53 15.170 -1.171 14.911 1.00 0.00 O ATOM 0 H ASP A 53 12.614 -1.639 12.524 1.00 0.00 H new ATOM 0 HA ASP A 53 13.644 -4.208 13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.722 -1.675 14.980 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.924 -3.205 15.810 1.00 0.00 H new ATOM 781 N ASP A 54 10.667 -3.098 13.010 1.00 0.00 N ATOM 782 CA ASP A 54 9.235 -3.372 12.988 1.00 0.00 C ATOM 783 C ASP A 54 8.520 -2.441 12.009 1.00 0.00 C ATOM 784 O ASP A 54 7.496 -2.808 11.431 1.00 0.00 O ATOM 785 CB ASP A 54 8.625 -3.212 14.388 1.00 0.00 C ATOM 786 CG ASP A 54 8.609 -1.774 14.869 1.00 0.00 C ATOM 787 OD1 ASP A 54 9.697 -1.206 15.116 1.00 0.00 O ATOM 788 OD2 ASP A 54 7.510 -1.203 15.001 1.00 0.00 O ATOM 0 H ASP A 54 10.942 -2.285 12.459 1.00 0.00 H new ATOM 0 HA ASP A 54 9.101 -4.403 12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.605 -3.597 14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.190 -3.819 15.095 1.00 0.00 H new ATOM 793 N ARG A 55 9.055 -1.237 11.822 1.00 0.00 N ATOM 794 CA ARG A 55 8.451 -0.272 10.912 1.00 0.00 C ATOM 795 C ARG A 55 8.946 -0.467 9.486 1.00 0.00 C ATOM 796 O ARG A 55 10.124 -0.757 9.259 1.00 0.00 O ATOM 797 CB ARG A 55 8.732 1.165 11.368 1.00 0.00 C ATOM 798 CG ARG A 55 7.489 1.883 11.863 1.00 0.00 C ATOM 799 CD ARG A 55 6.938 1.235 13.117 1.00 0.00 C ATOM 800 NE ARG A 55 5.522 1.521 13.303 1.00 0.00 N ATOM 801 CZ ARG A 55 5.039 2.371 14.200 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.858 3.096 14.954 1.00 0.00 N ATOM 803 NH2 ARG A 55 3.726 2.506 14.331 1.00 0.00 N ATOM 0 H ARG A 55 9.902 -0.909 12.287 1.00 0.00 H new ATOM 0 HA ARG A 55 7.375 -0.443 10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.477 1.149 12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.163 1.726 10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.727 2.927 12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.728 1.875 11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.086 0.156 13.062 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.496 1.590 13.983 1.00 0.00 H new ATOM 0 HE ARG A 55 4.856 1.035 12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.868 3.002 14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.477 3.747 15.641 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.096 1.959 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.346 3.157 15.018 1.00 0.00 H new ATOM 817 N PRO A 56 8.040 -0.324 8.511 1.00 0.00 N ATOM 818 CA PRO A 56 8.361 -0.431 7.092 1.00 0.00 C ATOM 819 C PRO A 56 8.942 0.862 6.532 1.00 0.00 C ATOM 820 O PRO A 56 8.580 1.959 6.963 1.00 0.00 O ATOM 821 CB PRO A 56 7.004 -0.717 6.428 1.00 0.00 C ATOM 822 CG PRO A 56 5.991 -0.743 7.531 1.00 0.00 C ATOM 823 CD PRO A 56 6.617 -0.059 8.710 1.00 0.00 C ATOM 0 HA PRO A 56 9.114 -1.198 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.760 0.052 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.024 -1.669 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.077 -0.232 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.716 -1.768 7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.401 1.009 8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.256 -0.467 9.654 1.00 0.00 H new ATOM 831 N HIS A 57 9.850 0.729 5.577 1.00 0.00 N ATOM 832 CA HIS A 57 10.400 1.883 4.882 1.00 0.00 C ATOM 833 C HIS A 57 10.238 1.723 3.380 1.00 0.00 C ATOM 834 O HIS A 57 10.785 0.797 2.780 1.00 0.00 O ATOM 835 CB HIS A 57 11.875 2.095 5.231 1.00 0.00 C ATOM 836 CG HIS A 57 12.091 2.645 6.605 1.00 0.00 C ATOM 837 ND1 HIS A 57 12.167 2.026 7.804 1.00 0.00 N flip ATOM 838 CD2 HIS A 57 12.254 3.990 6.860 1.00 0.00 C flip ATOM 839 CE1 HIS A 57 12.374 2.996 8.750 1.00 0.00 C flip ATOM 840 NE2 HIS A 57 12.424 4.171 8.156 1.00 0.00 N flip ATOM 0 H HIS A 57 10.222 -0.168 5.265 1.00 0.00 H new ATOM 0 HA HIS A 57 9.846 2.762 5.210 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.401 1.145 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.318 2.774 4.503 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.244 4.773 6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.479 2.825 9.811 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.569 5.068 8.619 1.00 0.00 H new ATOM 849 N LEU A 58 9.459 2.615 2.791 1.00 0.00 N ATOM 850 CA LEU A 58 9.253 2.625 1.356 1.00 0.00 C ATOM 851 C LEU A 58 10.311 3.482 0.688 1.00 0.00 C ATOM 852 O LEU A 58 10.449 4.663 0.997 1.00 0.00 O ATOM 853 CB LEU A 58 7.854 3.145 1.014 1.00 0.00 C ATOM 854 CG LEU A 58 6.698 2.290 1.541 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.367 2.859 1.084 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.845 0.847 1.082 1.00 0.00 C ATOM 0 H LEU A 58 8.956 3.347 3.292 1.00 0.00 H new ATOM 0 HA LEU A 58 9.337 1.604 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.751 4.154 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.766 3.220 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 58 6.727 2.308 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.556 2.240 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.257 3.876 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.331 2.871 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.014 0.256 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.843 0.810 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.784 0.440 1.457 1.00 0.00 H new ATOM 868 N TYR A 59 11.074 2.868 -0.199 1.00 0.00 N ATOM 869 CA TYR A 59 12.100 3.573 -0.950 1.00 0.00 C ATOM 870 C TYR A 59 11.573 3.880 -2.342 1.00 0.00 C ATOM 871 O TYR A 59 10.406 3.628 -2.626 1.00 0.00 O ATOM 872 CB TYR A 59 13.370 2.722 -1.038 1.00 0.00 C ATOM 873 CG TYR A 59 13.797 2.130 0.286 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.189 2.943 1.341 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.810 0.754 0.477 1.00 0.00 C ATOM 876 CE1 TYR A 59 14.581 2.402 2.550 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.199 0.204 1.683 1.00 0.00 C ATOM 878 CZ TYR A 59 14.582 1.034 2.717 1.00 0.00 C ATOM 879 OH TYR A 59 14.979 0.491 3.919 1.00 0.00 O ATOM 0 H TYR A 59 11.002 1.875 -0.419 1.00 0.00 H new ATOM 0 HA TYR A 59 12.348 4.505 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.207 1.914 -1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.181 3.335 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.187 4.016 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.511 0.103 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.885 3.048 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.203 -0.868 1.816 1.00 0.00 H new ATOM 0 HH TYR A 59 14.780 -0.469 3.926 1.00 0.00 H new ATOM 889 N LYS A 60 12.417 4.421 -3.208 1.00 0.00 N ATOM 890 CA LYS A 60 12.008 4.701 -4.581 1.00 0.00 C ATOM 891 C LYS A 60 11.816 3.399 -5.355 1.00 0.00 C ATOM 892 O LYS A 60 11.061 3.334 -6.320 1.00 0.00 O ATOM 893 CB LYS A 60 13.037 5.598 -5.266 1.00 0.00 C ATOM 894 CG LYS A 60 13.202 6.942 -4.575 1.00 0.00 C ATOM 895 CD LYS A 60 14.150 7.860 -5.326 1.00 0.00 C ATOM 896 CE LYS A 60 14.210 9.234 -4.676 1.00 0.00 C ATOM 897 NZ LYS A 60 15.094 10.165 -5.422 1.00 0.00 N ATOM 0 H LYS A 60 13.381 4.674 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 60 11.054 5.228 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.999 5.087 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.737 5.762 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.228 7.424 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.576 6.785 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.147 7.420 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.823 7.958 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.205 9.653 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.570 9.135 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.106 11.089 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.059 9.778 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.737 10.281 -6.392 1.00 0.00 H new ATOM 911 N LEU A 61 12.523 2.367 -4.919 1.00 0.00 N ATOM 912 CA LEU A 61 12.355 1.027 -5.458 1.00 0.00 C ATOM 913 C LEU A 61 12.170 0.047 -4.306 1.00 0.00 C ATOM 914 O LEU A 61 13.141 -0.321 -3.643 1.00 0.00 O ATOM 915 CB LEU A 61 13.566 0.599 -6.305 1.00 0.00 C ATOM 916 CG LEU A 61 13.780 1.356 -7.622 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.437 2.708 -7.382 1.00 0.00 C ATOM 918 CD2 LEU A 61 14.619 0.520 -8.577 1.00 0.00 C ATOM 0 H LEU A 61 13.227 2.435 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 61 11.478 1.027 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.464 0.710 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.465 -0.462 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 61 12.803 1.535 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.575 3.220 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.801 3.312 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.406 2.562 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.764 1.067 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.588 0.312 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.107 -0.419 -8.785 1.00 0.00 H new ATOM 930 N GLY A 62 10.934 -0.354 -4.050 1.00 0.00 N ATOM 931 CA GLY A 62 10.673 -1.230 -2.925 1.00 0.00 C ATOM 932 C GLY A 62 9.450 -2.113 -3.107 1.00 0.00 C ATOM 933 O GLY A 62 9.582 -3.291 -3.441 1.00 0.00 O ATOM 0 H GLY A 62 10.113 -0.092 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.545 -1.863 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.543 -0.625 -2.028 1.00 0.00 H new ATOM 937 N PRO A 63 8.243 -1.566 -2.896 1.00 0.00 N ATOM 938 CA PRO A 63 7.012 -2.358 -2.886 1.00 0.00 C ATOM 939 C PRO A 63 6.511 -2.757 -4.277 1.00 0.00 C ATOM 940 O PRO A 63 6.229 -1.910 -5.125 1.00 0.00 O ATOM 941 CB PRO A 63 6.011 -1.431 -2.200 1.00 0.00 C ATOM 942 CG PRO A 63 6.484 -0.054 -2.520 1.00 0.00 C ATOM 943 CD PRO A 63 7.981 -0.132 -2.648 1.00 0.00 C ATOM 0 HA PRO A 63 7.165 -3.314 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.000 -1.598 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.988 -1.601 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.034 0.305 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.198 0.646 -1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.345 0.488 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.478 0.214 -1.742 1.00 0.00 H new ATOM 951 N GLU A 64 6.414 -4.061 -4.494 1.00 0.00 N ATOM 952 CA GLU A 64 5.803 -4.608 -5.696 1.00 0.00 C ATOM 953 C GLU A 64 4.379 -5.045 -5.376 1.00 0.00 C ATOM 954 O GLU A 64 4.127 -5.569 -4.292 1.00 0.00 O ATOM 955 CB GLU A 64 6.597 -5.813 -6.204 1.00 0.00 C ATOM 956 CG GLU A 64 8.064 -5.529 -6.480 1.00 0.00 C ATOM 957 CD GLU A 64 8.805 -6.768 -6.938 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.651 -7.160 -8.113 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.543 -7.366 -6.123 1.00 0.00 O ATOM 0 H GLU A 64 6.756 -4.768 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 64 5.798 -3.840 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.527 -6.615 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.132 -6.179 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.146 -4.755 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.534 -5.138 -5.577 1.00 0.00 H new ATOM 966 N LEU A 65 3.457 -4.842 -6.303 1.00 0.00 N ATOM 967 CA LEU A 65 2.065 -5.213 -6.077 1.00 0.00 C ATOM 968 C LEU A 65 1.785 -6.594 -6.652 1.00 0.00 C ATOM 969 O LEU A 65 2.193 -6.904 -7.772 1.00 0.00 O ATOM 970 CB LEU A 65 1.098 -4.181 -6.679 1.00 0.00 C ATOM 971 CG LEU A 65 0.954 -2.872 -5.891 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.171 -1.978 -6.074 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.320 -2.142 -6.295 1.00 0.00 C ATOM 0 H LEU A 65 3.643 -4.425 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 65 1.900 -5.234 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.432 -3.942 -7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.114 -4.641 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 65 0.887 -3.124 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.037 -1.059 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.061 -2.498 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.288 -1.735 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.405 -1.216 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.285 -1.911 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.183 -2.775 -6.089 1.00 0.00 H new ATOM 985 N THR A 66 1.099 -7.421 -5.875 1.00 0.00 N ATOM 986 CA THR A 66 0.813 -8.790 -6.275 1.00 0.00 C ATOM 987 C THR A 66 -0.544 -8.895 -6.967 1.00 0.00 C ATOM 988 O THR A 66 -1.267 -7.901 -7.093 1.00 0.00 O ATOM 989 CB THR A 66 0.821 -9.733 -5.053 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.220 -9.358 -4.141 1.00 0.00 O ATOM 991 CG2 THR A 66 2.165 -9.687 -4.337 1.00 0.00 C ATOM 0 H THR A 66 0.729 -7.165 -4.960 1.00 0.00 H new ATOM 0 HA THR A 66 1.595 -9.088 -6.973 1.00 0.00 H new ATOM 0 HB THR A 66 0.651 -10.750 -5.407 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.001 -9.684 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.144 -10.360 -3.480 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.953 -9.997 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.361 -8.671 -3.995 1.00 0.00 H new ATOM 999 N GLU A 67 -0.884 -10.106 -7.401 1.00 0.00 N ATOM 1000 CA GLU A 67 -2.184 -10.386 -8.001 1.00 0.00 C ATOM 1001 C GLU A 67 -3.301 -10.024 -7.022 1.00 0.00 C ATOM 1002 O GLU A 67 -4.320 -9.449 -7.405 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.273 -11.872 -8.370 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.530 -12.250 -9.137 1.00 0.00 C ATOM 1005 CD GLU A 67 -3.498 -11.777 -10.576 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -3.628 -10.561 -10.814 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.338 -12.626 -11.478 1.00 0.00 O ATOM 0 H GLU A 67 -0.268 -10.917 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.298 -9.785 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.402 -12.139 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.226 -12.465 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.652 -13.333 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.399 -11.822 -8.637 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.077 -10.341 -5.750 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.050 -10.068 -4.696 1.00 0.00 C ATOM 1016 C LYS A 68 -4.337 -8.572 -4.614 1.00 0.00 C ATOM 1017 O LYS A 68 -5.483 -8.152 -4.455 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.512 -10.569 -3.351 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.539 -10.594 -2.223 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.621 -11.634 -2.476 1.00 0.00 C ATOM 1021 CE LYS A 68 -6.490 -11.864 -1.247 1.00 0.00 C ATOM 1022 NZ LYS A 68 -7.314 -10.677 -0.898 1.00 0.00 N ATOM 0 H LYS A 68 -2.222 -10.791 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.978 -10.590 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.116 -11.575 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.677 -9.936 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.039 -10.810 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.996 -9.609 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.247 -11.311 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.157 -12.575 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.145 -12.717 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.854 -12.122 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.138 -10.978 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.743 -10.010 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.638 -10.211 -1.769 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.286 -7.773 -4.742 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.436 -6.337 -4.673 1.00 0.00 C ATOM 1038 C GLY A 69 -4.029 -5.757 -5.940 1.00 0.00 C ATOM 1039 O GLY A 69 -4.897 -4.886 -5.882 1.00 0.00 O ATOM 0 H GLY A 69 -2.331 -8.097 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.073 -6.081 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.463 -5.881 -4.489 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.577 -6.254 -7.086 1.00 0.00 N ATOM 1044 CA GLU A 70 -4.026 -5.742 -8.376 1.00 0.00 C ATOM 1045 C GLU A 70 -5.510 -6.032 -8.593 1.00 0.00 C ATOM 1046 O GLU A 70 -6.229 -5.235 -9.206 1.00 0.00 O ATOM 1047 CB GLU A 70 -3.194 -6.345 -9.508 1.00 0.00 C ATOM 1048 CG GLU A 70 -3.396 -5.642 -10.839 1.00 0.00 C ATOM 1049 CD GLU A 70 -2.389 -6.068 -11.885 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -2.606 -7.108 -12.540 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -1.372 -5.367 -12.058 1.00 0.00 O ATOM 0 H GLU A 70 -2.898 -7.013 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.888 -4.661 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.139 -6.301 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.451 -7.398 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.402 -5.848 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.325 -4.565 -10.690 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.968 -7.171 -8.093 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.379 -7.534 -8.184 1.00 0.00 C ATOM 1060 C ASN A 71 -8.219 -6.693 -7.235 1.00 0.00 C ATOM 1061 O ASN A 71 -9.344 -6.307 -7.559 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.575 -9.018 -7.873 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.208 -9.902 -9.044 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.425 -9.542 -10.200 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -6.644 -11.061 -8.758 1.00 0.00 N ATOM 0 H ASN A 71 -5.385 -7.861 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.707 -7.340 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.967 -9.290 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.615 -9.195 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.371 -11.695 -9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.481 -11.323 -7.786 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.657 -6.389 -6.072 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.369 -5.621 -5.063 1.00 0.00 C ATOM 1074 C TYR A 72 -8.590 -4.191 -5.546 1.00 0.00 C ATOM 1075 O TYR A 72 -9.545 -3.526 -5.139 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.595 -5.630 -3.742 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.454 -5.297 -2.541 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.382 -6.214 -2.066 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.340 -4.076 -1.887 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.176 -5.922 -0.976 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -9.131 -3.778 -0.793 1.00 0.00 C ATOM 1082 CZ TYR A 72 -10.049 -4.706 -0.342 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.846 -4.415 0.744 1.00 0.00 O ATOM 0 H TYR A 72 -6.711 -6.663 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.342 -6.083 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.147 -6.613 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.776 -4.913 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.484 -7.170 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.623 -3.349 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.895 -6.645 -0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.032 -2.825 -0.294 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.631 -3.518 1.076 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.709 -3.734 -6.432 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.834 -2.412 -7.035 1.00 0.00 C ATOM 1095 C LEU A 73 -9.149 -2.289 -7.798 1.00 0.00 C ATOM 1096 O LEU A 73 -9.837 -1.270 -7.713 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.660 -2.139 -7.981 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.275 -2.119 -7.326 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.191 -1.937 -8.377 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.188 -1.018 -6.283 1.00 0.00 C ATOM 0 H LEU A 73 -6.897 -4.264 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.822 -1.674 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.662 -2.899 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.825 -1.179 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.121 -3.077 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.214 -1.925 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.233 -2.761 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.348 -0.995 -8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.196 -1.023 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.366 -0.053 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.939 -1.188 -5.511 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.509 -3.341 -8.526 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.726 -3.331 -9.321 1.00 0.00 C ATOM 1114 C LYS A 74 -11.954 -3.364 -8.419 1.00 0.00 C ATOM 1115 O LYS A 74 -12.920 -2.638 -8.644 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.762 -4.523 -10.285 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.976 -4.507 -11.201 1.00 0.00 C ATOM 1118 CD LYS A 74 -12.163 -5.824 -11.935 1.00 0.00 C ATOM 1119 CE LYS A 74 -13.444 -5.808 -12.756 1.00 0.00 C ATOM 1120 NZ LYS A 74 -13.791 -7.149 -13.292 1.00 0.00 N ATOM 0 H LYS A 74 -8.975 -4.208 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.735 -2.410 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.856 -4.521 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.759 -5.449 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.869 -4.291 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.870 -3.701 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.309 -6.006 -12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.196 -6.644 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.264 -5.444 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.333 -5.107 -13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.670 -7.086 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.022 -7.488 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.924 -7.814 -12.504 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.906 -4.203 -7.391 1.00 0.00 N ATOM 1135 CA GLU A 75 -13.042 -4.376 -6.494 1.00 0.00 C ATOM 1136 C GLU A 75 -13.287 -3.136 -5.645 1.00 0.00 C ATOM 1137 O GLU A 75 -14.428 -2.700 -5.495 1.00 0.00 O ATOM 1138 CB GLU A 75 -12.853 -5.605 -5.609 1.00 0.00 C ATOM 1139 CG GLU A 75 -12.994 -6.908 -6.377 1.00 0.00 C ATOM 1140 CD GLU A 75 -14.289 -6.963 -7.166 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -15.345 -7.266 -6.570 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -14.262 -6.679 -8.378 1.00 0.00 O ATOM 0 H GLU A 75 -11.093 -4.774 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.925 -4.528 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.867 -5.566 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.585 -5.583 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.150 -7.022 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.957 -7.746 -5.680 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.224 -2.558 -5.103 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.358 -1.349 -4.301 1.00 0.00 C ATOM 1151 C ASN A 76 -12.290 -0.104 -5.171 1.00 0.00 C ATOM 1152 O ASN A 76 -12.298 1.014 -4.665 1.00 0.00 O ATOM 1153 CB ASN A 76 -11.304 -1.279 -3.195 1.00 0.00 C ATOM 1154 CG ASN A 76 -11.817 -1.833 -1.880 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -12.586 -2.791 -1.849 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -11.413 -1.216 -0.780 1.00 0.00 N ATOM 0 H ASN A 76 -11.269 -2.902 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.339 -1.390 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.420 -1.837 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.995 -0.243 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.741 -1.533 0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.774 -0.424 -0.845 1.00 0.00 H new ATOM 1163 N GLY A 77 -12.230 -0.298 -6.488 1.00 0.00 N ATOM 1164 CA GLY A 77 -12.304 0.818 -7.416 1.00 0.00 C ATOM 1165 C GLY A 77 -13.633 1.557 -7.339 1.00 0.00 C ATOM 1166 O GLY A 77 -13.792 2.627 -7.928 1.00 0.00 O ATOM 0 H GLY A 77 -12.131 -1.212 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.492 1.515 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.155 0.452 -8.432 1.00 0.00 H new ATOM 1170 N THR A 78 -14.587 0.983 -6.614 1.00 0.00 N ATOM 1171 CA THR A 78 -15.878 1.619 -6.391 1.00 0.00 C ATOM 1172 C THR A 78 -15.793 2.639 -5.250 1.00 0.00 C ATOM 1173 O THR A 78 -16.773 3.320 -4.936 1.00 0.00 O ATOM 1174 CB THR A 78 -16.969 0.570 -6.070 1.00 0.00 C ATOM 1175 OG1 THR A 78 -18.236 1.208 -5.854 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.598 -0.248 -4.839 1.00 0.00 C ATOM 0 H THR A 78 -14.488 0.071 -6.168 1.00 0.00 H new ATOM 0 HA THR A 78 -16.151 2.136 -7.311 1.00 0.00 H new ATOM 0 HB THR A 78 -17.044 -0.099 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 78 -18.093 2.152 -5.634 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.382 -0.977 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.657 -0.768 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.489 0.415 -3.981 1.00 0.00 H new ATOM 1184 N TRP A 79 -14.619 2.733 -4.630 1.00 0.00 N ATOM 1185 CA TRP A 79 -14.398 3.668 -3.533 1.00 0.00 C ATOM 1186 C TRP A 79 -14.379 5.103 -4.062 1.00 0.00 C ATOM 1187 O TRP A 79 -14.143 5.319 -5.251 1.00 0.00 O ATOM 1188 CB TRP A 79 -13.087 3.332 -2.805 1.00 0.00 C ATOM 1189 CG TRP A 79 -12.845 4.153 -1.572 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -13.598 4.164 -0.432 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -11.772 5.077 -1.352 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -13.063 5.043 0.478 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -11.941 5.616 -0.062 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -10.686 5.503 -2.122 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -11.063 6.559 0.472 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -9.817 6.437 -1.591 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -10.009 6.956 -0.305 1.00 0.00 C ATOM 0 H TRP A 79 -13.804 2.170 -4.871 1.00 0.00 H new ATOM 0 HA TRP A 79 -15.216 3.578 -2.818 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -13.096 2.277 -2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.254 3.475 -3.494 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -14.484 3.569 -0.270 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.440 5.238 1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.529 5.109 -3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.210 6.961 1.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.975 6.772 -2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.311 7.684 0.081 1.00 0.00 H new ATOM 1208 N SER A 80 -14.641 6.059 -3.161 1.00 0.00 N ATOM 1209 CA SER A 80 -14.768 7.486 -3.484 1.00 0.00 C ATOM 1210 C SER A 80 -15.937 7.738 -4.440 1.00 0.00 C ATOM 1211 O SER A 80 -16.532 6.793 -4.967 1.00 0.00 O ATOM 1212 CB SER A 80 -13.457 8.076 -4.047 1.00 0.00 C ATOM 1213 OG SER A 80 -13.182 7.632 -5.366 1.00 0.00 O ATOM 0 H SER A 80 -14.773 5.859 -2.170 1.00 0.00 H new ATOM 0 HA SER A 80 -14.977 8.003 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.520 9.164 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.629 7.800 -3.394 1.00 0.00 H new ATOM 0 HG SER A 80 -13.776 6.885 -5.590 1.00 0.00 H new ATOM 1219 N LYS A 81 -16.287 9.017 -4.616 1.00 0.00 N ATOM 1220 CA LYS A 81 -17.340 9.445 -5.551 1.00 0.00 C ATOM 1221 C LYS A 81 -18.752 9.078 -5.060 1.00 0.00 C ATOM 1222 O LYS A 81 -19.705 9.821 -5.297 1.00 0.00 O ATOM 1223 CB LYS A 81 -17.105 8.842 -6.942 1.00 0.00 C ATOM 1224 CG LYS A 81 -15.722 9.118 -7.515 1.00 0.00 C ATOM 1225 CD LYS A 81 -15.498 8.360 -8.814 1.00 0.00 C ATOM 1226 CE LYS A 81 -14.109 8.611 -9.383 1.00 0.00 C ATOM 1227 NZ LYS A 81 -13.030 8.131 -8.476 1.00 0.00 N ATOM 0 H LYS A 81 -15.848 9.789 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 81 -17.283 10.532 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -17.256 7.764 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.855 9.235 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.606 10.187 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.962 8.831 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.632 7.292 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.250 8.660 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.018 8.111 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.980 9.678 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.495 8.945 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.451 7.610 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.389 7.503 -9.001 1.00 0.00 H new ATOM 1241 N ALA A 82 -18.873 7.952 -4.357 1.00 0.00 N ATOM 1242 CA ALA A 82 -20.170 7.397 -3.952 1.00 0.00 C ATOM 1243 C ALA A 82 -20.796 8.130 -2.760 1.00 0.00 C ATOM 1244 O ALA A 82 -21.365 7.506 -1.870 1.00 0.00 O ATOM 1245 CB ALA A 82 -20.011 5.919 -3.629 1.00 0.00 C ATOM 0 H ALA A 82 -18.075 7.396 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 82 -20.852 7.533 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -20.974 5.507 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -19.650 5.391 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -19.295 5.799 -2.816 1.00 0.00 H new TER 1251 ALA A 82