USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 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 19 THR OG1 : rot 61:sc= 0.328! USER MOD Set 1.2: A 20 ASN :FLIP amide:sc= -8.34! C(o=-9!,f=-8!) USER MOD Single : A 1 SER N :NH3+ 166:sc= -0.0832 (180deg=-0.333) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.83 K(o=-3.8,f=-4.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -2.3! C(o=-2.8!,f=-2.3!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0673 F(o=-0.59,f=-0.067) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.413 K(o=-0.41,f=-3!) USER MOD Single : A 41 THR OG1 : rot 80:sc= -0.549 USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= 0.0341 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.128 (180deg=-0.827) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.039 9.860 11.159 1.00 0.00 N ATOM 2 CA SER A 1 8.399 10.985 10.304 1.00 0.00 C ATOM 3 C SER A 1 9.807 10.810 9.741 1.00 0.00 C ATOM 4 O SER A 1 10.481 11.787 9.415 1.00 0.00 O ATOM 5 CB SER A 1 8.308 12.296 11.086 1.00 0.00 C ATOM 6 OG SER A 1 7.150 13.027 10.722 1.00 0.00 O ATOM 0 H1 SER A 1 7.193 10.102 11.714 1.00 0.00 H new ATOM 0 H2 SER A 1 7.840 9.026 10.570 1.00 0.00 H new ATOM 0 H3 SER A 1 8.827 9.648 11.804 1.00 0.00 H new ATOM 0 HA SER A 1 7.696 11.018 9.472 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.288 12.085 12.155 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.197 12.898 10.897 1.00 0.00 H new ATOM 0 HG SER A 1 7.114 13.860 11.237 1.00 0.00 H new ATOM 12 N ASP A 2 10.243 9.561 9.632 1.00 0.00 N ATOM 13 CA ASP A 2 11.570 9.258 9.109 1.00 0.00 C ATOM 14 C ASP A 2 11.473 8.456 7.814 1.00 0.00 C ATOM 15 O ASP A 2 12.486 8.020 7.265 1.00 0.00 O ATOM 16 CB ASP A 2 12.385 8.480 10.144 1.00 0.00 C ATOM 17 CG ASP A 2 12.723 9.318 11.362 1.00 0.00 C ATOM 18 OD1 ASP A 2 13.728 10.058 11.313 1.00 0.00 O ATOM 19 OD2 ASP A 2 11.981 9.235 12.363 1.00 0.00 O ATOM 0 H ASP A 2 9.697 8.742 9.899 1.00 0.00 H new ATOM 0 HA ASP A 2 12.073 10.201 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.824 7.599 10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.307 8.124 9.684 1.00 0.00 H new ATOM 24 N ARG A 3 10.250 8.265 7.333 1.00 0.00 N ATOM 25 CA ARG A 3 10.021 7.515 6.104 1.00 0.00 C ATOM 26 C ARG A 3 10.139 6.014 6.354 1.00 0.00 C ATOM 27 O ARG A 3 11.033 5.353 5.824 1.00 0.00 O ATOM 28 CB ARG A 3 11.018 7.943 5.026 1.00 0.00 C ATOM 29 CG ARG A 3 11.267 9.441 4.988 1.00 0.00 C ATOM 30 CD ARG A 3 10.478 10.109 3.872 1.00 0.00 C ATOM 31 NE ARG A 3 11.351 10.733 2.882 1.00 0.00 N ATOM 32 CZ ARG A 3 10.904 11.401 1.824 1.00 0.00 C ATOM 33 NH1 ARG A 3 9.600 11.531 1.621 1.00 0.00 N ATOM 34 NH2 ARG A 3 11.762 11.941 0.967 1.00 0.00 N ATOM 0 H ARG A 3 9.402 8.619 7.775 1.00 0.00 H new ATOM 0 HA ARG A 3 9.010 7.731 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.965 7.430 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.649 7.620 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.989 9.882 5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.331 9.631 4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.845 9.369 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.816 10.863 4.297 1.00 0.00 H new ATOM 0 HE ARG A 3 12.360 10.652 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.938 11.118 2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.259 12.044 0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.766 11.843 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.418 12.454 0.155 1.00 0.00 H new ATOM 48 N THR A 4 9.230 5.481 7.165 1.00 0.00 N ATOM 49 CA THR A 4 9.233 4.059 7.487 1.00 0.00 C ATOM 50 C THR A 4 7.970 3.377 6.973 1.00 0.00 C ATOM 51 O THR A 4 6.904 3.989 6.907 1.00 0.00 O ATOM 52 CB THR A 4 9.346 3.828 9.005 1.00 0.00 C ATOM 53 OG1 THR A 4 9.675 5.055 9.666 1.00 0.00 O ATOM 54 CG2 THR A 4 10.403 2.780 9.315 1.00 0.00 C ATOM 0 H THR A 4 8.482 6.013 7.611 1.00 0.00 H new ATOM 0 HA THR A 4 10.103 3.625 6.995 1.00 0.00 H new ATOM 0 HB THR A 4 8.383 3.469 9.367 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.743 4.899 10.631 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.465 2.634 10.393 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.134 1.839 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.369 3.115 8.938 1.00 0.00 H new ATOM 62 N CYS A 5 8.097 2.105 6.610 1.00 0.00 N ATOM 63 CA CYS A 5 6.966 1.338 6.102 1.00 0.00 C ATOM 64 C CYS A 5 5.850 1.262 7.139 1.00 0.00 C ATOM 65 O CYS A 5 6.108 1.213 8.342 1.00 0.00 O ATOM 66 CB CYS A 5 7.413 -0.073 5.713 1.00 0.00 C ATOM 67 SG CYS A 5 6.176 -1.007 4.755 1.00 0.00 S ATOM 0 H CYS A 5 8.972 1.584 6.658 1.00 0.00 H new ATOM 0 HA CYS A 5 6.582 1.847 5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.332 -0.004 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.651 -0.630 6.619 1.00 0.00 H new ATOM 72 N ALA A 6 4.608 1.253 6.665 1.00 0.00 N ATOM 73 CA ALA A 6 3.453 1.181 7.550 1.00 0.00 C ATOM 74 C ALA A 6 3.043 -0.266 7.803 1.00 0.00 C ATOM 75 O ALA A 6 2.077 -0.532 8.516 1.00 0.00 O ATOM 76 CB ALA A 6 2.288 1.966 6.964 1.00 0.00 C ATOM 0 H ALA A 6 4.377 1.295 5.672 1.00 0.00 H new ATOM 0 HA ALA A 6 3.732 1.625 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.432 1.903 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.577 3.010 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.019 1.548 5.994 1.00 0.00 H new ATOM 82 N ARG A 7 3.787 -1.197 7.214 1.00 0.00 N ATOM 83 CA ARG A 7 3.500 -2.617 7.373 1.00 0.00 C ATOM 84 C ARG A 7 4.697 -3.350 7.972 1.00 0.00 C ATOM 85 O ARG A 7 4.538 -4.286 8.755 1.00 0.00 O ATOM 86 CB ARG A 7 3.129 -3.239 6.026 1.00 0.00 C ATOM 87 CG ARG A 7 2.133 -2.414 5.227 1.00 0.00 C ATOM 88 CD ARG A 7 0.844 -2.193 6.002 1.00 0.00 C ATOM 89 NE ARG A 7 0.447 -3.381 6.754 1.00 0.00 N ATOM 90 CZ ARG A 7 -0.350 -3.346 7.816 1.00 0.00 C ATOM 91 NH1 ARG A 7 -0.832 -2.189 8.250 1.00 0.00 N ATOM 92 NH2 ARG A 7 -0.666 -4.469 8.448 1.00 0.00 N ATOM 0 H ARG A 7 4.593 -0.993 6.623 1.00 0.00 H new ATOM 0 HA ARG A 7 2.656 -2.717 8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.035 -3.371 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.712 -4.231 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.577 -1.451 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.912 -2.919 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.972 -1.356 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.048 -1.919 5.310 1.00 0.00 H new ATOM 0 HE ARG A 7 0.801 -4.287 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.591 -1.323 7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.444 -2.165 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.297 -5.361 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.278 -4.440 9.263 1.00 0.00 H new ATOM 106 N CYS A 8 5.897 -2.916 7.597 1.00 0.00 N ATOM 107 CA CYS A 8 7.121 -3.530 8.095 1.00 0.00 C ATOM 108 C CYS A 8 7.795 -2.638 9.133 1.00 0.00 C ATOM 109 O CYS A 8 8.570 -3.112 9.964 1.00 0.00 O ATOM 110 CB CYS A 8 8.086 -3.803 6.939 1.00 0.00 C ATOM 111 SG CYS A 8 7.349 -4.737 5.560 1.00 0.00 S ATOM 0 H CYS A 8 6.046 -2.142 6.950 1.00 0.00 H new ATOM 0 HA CYS A 8 6.856 -4.474 8.570 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.461 -2.852 6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.945 -4.355 7.320 1.00 0.00 H new ATOM 116 N GLN A 9 7.491 -1.345 9.079 1.00 0.00 N ATOM 117 CA GLN A 9 8.067 -0.386 10.015 1.00 0.00 C ATOM 118 C GLN A 9 9.583 -0.314 9.857 1.00 0.00 C ATOM 119 O GLN A 9 10.306 -0.070 10.822 1.00 0.00 O ATOM 120 CB GLN A 9 7.710 -0.767 11.453 1.00 0.00 C ATOM 121 CG GLN A 9 6.436 -0.111 11.958 1.00 0.00 C ATOM 122 CD GLN A 9 5.362 -0.023 10.891 1.00 0.00 C ATOM 123 OE1 GLN A 9 4.800 1.045 10.646 1.00 0.00 O ATOM 124 NE2 GLN A 9 5.073 -1.148 10.249 1.00 0.00 N ATOM 0 H GLN A 9 6.850 -0.938 8.398 1.00 0.00 H new ATOM 0 HA GLN A 9 7.650 0.596 9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.601 -1.850 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.536 -0.491 12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.053 -0.676 12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.667 0.891 12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.564 -2.010 10.485 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.360 -1.150 9.520 1.00 0.00 H new ATOM 133 N GLU A 10 10.056 -0.528 8.633 1.00 0.00 N ATOM 134 CA GLU A 10 11.486 -0.488 8.350 1.00 0.00 C ATOM 135 C GLU A 10 11.856 0.785 7.593 1.00 0.00 C ATOM 136 O GLU A 10 10.997 1.442 7.004 1.00 0.00 O ATOM 137 CB GLU A 10 11.902 -1.716 7.537 1.00 0.00 C ATOM 138 CG GLU A 10 12.454 -2.848 8.387 1.00 0.00 C ATOM 139 CD GLU A 10 13.796 -2.512 9.007 1.00 0.00 C ATOM 140 OE1 GLU A 10 13.810 -1.828 10.053 1.00 0.00 O ATOM 141 OE2 GLU A 10 14.831 -2.931 8.449 1.00 0.00 O ATOM 0 H GLU A 10 9.471 -0.731 7.823 1.00 0.00 H new ATOM 0 HA GLU A 10 12.018 -0.493 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.041 -2.080 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.655 -1.420 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.742 -3.084 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.556 -3.742 7.772 1.00 0.00 H new ATOM 148 N SER A 11 13.140 1.127 7.614 1.00 0.00 N ATOM 149 CA SER A 11 13.623 2.323 6.934 1.00 0.00 C ATOM 150 C SER A 11 13.378 2.231 5.432 1.00 0.00 C ATOM 151 O SER A 11 13.549 1.171 4.827 1.00 0.00 O ATOM 152 CB SER A 11 15.115 2.522 7.207 1.00 0.00 C ATOM 153 OG SER A 11 15.830 1.309 7.045 1.00 0.00 O ATOM 0 H SER A 11 13.864 0.593 8.094 1.00 0.00 H new ATOM 0 HA SER A 11 13.072 3.179 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.514 3.276 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.255 2.898 8.220 1.00 0.00 H new ATOM 0 HG SER A 11 16.781 1.464 7.223 1.00 0.00 H new ATOM 159 N LEU A 12 12.976 3.347 4.834 1.00 0.00 N ATOM 160 CA LEU A 12 12.707 3.394 3.402 1.00 0.00 C ATOM 161 C LEU A 12 13.968 3.749 2.621 1.00 0.00 C ATOM 162 O LEU A 12 13.902 4.384 1.570 1.00 0.00 O ATOM 163 CB LEU A 12 11.605 4.412 3.103 1.00 0.00 C ATOM 164 CG LEU A 12 10.170 3.934 3.328 1.00 0.00 C ATOM 165 CD1 LEU A 12 9.544 3.489 2.016 1.00 0.00 C ATOM 166 CD2 LEU A 12 10.137 2.805 4.347 1.00 0.00 C ATOM 0 H LEU A 12 12.829 4.232 5.319 1.00 0.00 H new ATOM 0 HA LEU A 12 12.375 2.405 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.774 5.293 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.703 4.729 2.065 1.00 0.00 H new ATOM 0 HG LEU A 12 9.587 4.767 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.523 3.152 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.533 4.325 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.127 2.670 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.108 2.478 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.735 1.969 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.545 3.158 5.294 1.00 0.00 H new ATOM 178 N GLY A 13 15.118 3.332 3.143 1.00 0.00 N ATOM 179 CA GLY A 13 16.378 3.613 2.481 1.00 0.00 C ATOM 180 C GLY A 13 16.290 3.455 0.976 1.00 0.00 C ATOM 181 O GLY A 13 15.923 2.392 0.477 1.00 0.00 O ATOM 0 H GLY A 13 15.199 2.805 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.691 4.630 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 13 17.146 2.944 2.869 1.00 0.00 H new ATOM 185 N ARG A 14 16.628 4.517 0.250 1.00 0.00 N ATOM 186 CA ARG A 14 16.583 4.491 -1.206 1.00 0.00 C ATOM 187 C ARG A 14 15.420 3.635 -1.699 1.00 0.00 C ATOM 188 O ARG A 14 15.624 2.575 -2.294 1.00 0.00 O ATOM 189 CB ARG A 14 17.901 3.955 -1.770 1.00 0.00 C ATOM 190 CG ARG A 14 17.849 3.656 -3.259 1.00 0.00 C ATOM 191 CD ARG A 14 19.176 3.963 -3.934 1.00 0.00 C ATOM 192 NE ARG A 14 19.814 2.760 -4.461 1.00 0.00 N ATOM 193 CZ ARG A 14 20.764 2.778 -5.390 1.00 0.00 C ATOM 194 NH1 ARG A 14 21.182 3.932 -5.892 1.00 0.00 N ATOM 195 NH2 ARG A 14 21.296 1.641 -5.818 1.00 0.00 N ATOM 0 H ARG A 14 16.936 5.405 0.647 1.00 0.00 H new ATOM 0 HA ARG A 14 16.435 5.512 -1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.690 4.683 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.172 3.045 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.595 2.607 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 14 17.058 4.246 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 14 19.014 4.672 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.844 4.444 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 14 19.514 1.856 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 14 20.774 4.808 -5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.911 3.944 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 14 20.976 0.752 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.025 1.656 -6.531 1.00 0.00 H new ATOM 209 N LEU A 15 14.202 4.100 -1.450 1.00 0.00 N ATOM 210 CA LEU A 15 13.005 3.377 -1.867 1.00 0.00 C ATOM 211 C LEU A 15 12.110 4.258 -2.732 1.00 0.00 C ATOM 212 O LEU A 15 11.352 3.763 -3.566 1.00 0.00 O ATOM 213 CB LEU A 15 12.228 2.885 -0.645 1.00 0.00 C ATOM 214 CG LEU A 15 11.648 1.475 -0.741 1.00 0.00 C ATOM 215 CD1 LEU A 15 11.714 0.777 0.608 1.00 0.00 C ATOM 216 CD2 LEU A 15 10.213 1.523 -1.249 1.00 0.00 C ATOM 0 H LEU A 15 14.016 4.976 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 15 13.319 2.517 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.889 2.926 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.410 3.580 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 15 12.246 0.904 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.296 -0.226 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.752 0.710 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.141 1.345 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.815 0.510 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.603 2.111 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.192 1.983 -2.237 1.00 0.00 H new ATOM 228 N SER A 16 12.204 5.569 -2.528 1.00 0.00 N ATOM 229 CA SER A 16 11.401 6.521 -3.288 1.00 0.00 C ATOM 230 C SER A 16 10.007 6.659 -2.684 1.00 0.00 C ATOM 231 O SER A 16 9.031 6.094 -3.177 1.00 0.00 O ATOM 232 CB SER A 16 11.296 6.079 -4.748 1.00 0.00 C ATOM 233 OG SER A 16 11.032 7.183 -5.598 1.00 0.00 O ATOM 0 H SER A 16 12.828 5.996 -1.843 1.00 0.00 H new ATOM 0 HA SER A 16 11.894 7.492 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.224 5.596 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.502 5.339 -4.851 1.00 0.00 H new ATOM 0 HG SER A 16 10.971 6.874 -6.526 1.00 0.00 H new ATOM 239 N PRO A 17 9.912 7.429 -1.590 1.00 0.00 N ATOM 240 CA PRO A 17 8.642 7.661 -0.894 1.00 0.00 C ATOM 241 C PRO A 17 7.685 8.527 -1.707 1.00 0.00 C ATOM 242 O PRO A 17 6.563 8.800 -1.281 1.00 0.00 O ATOM 243 CB PRO A 17 9.066 8.388 0.384 1.00 0.00 C ATOM 244 CG PRO A 17 10.356 9.045 0.036 1.00 0.00 C ATOM 245 CD PRO A 17 11.034 8.132 -0.948 1.00 0.00 C ATOM 0 HA PRO A 17 8.101 6.732 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.319 9.120 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.188 7.692 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.187 10.030 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.972 9.189 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.626 8.691 -1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.712 7.438 -0.451 1.00 0.00 H new ATOM 253 N LYS A 18 8.135 8.955 -2.881 1.00 0.00 N ATOM 254 CA LYS A 18 7.320 9.789 -3.755 1.00 0.00 C ATOM 255 C LYS A 18 6.246 8.960 -4.452 1.00 0.00 C ATOM 256 O LYS A 18 5.268 9.499 -4.971 1.00 0.00 O ATOM 257 CB LYS A 18 8.199 10.483 -4.799 1.00 0.00 C ATOM 258 CG LYS A 18 7.453 11.507 -5.638 1.00 0.00 C ATOM 259 CD LYS A 18 7.056 12.720 -4.815 1.00 0.00 C ATOM 260 CE LYS A 18 7.869 13.947 -5.201 1.00 0.00 C ATOM 261 NZ LYS A 18 7.063 15.196 -5.111 1.00 0.00 N ATOM 0 H LYS A 18 9.061 8.738 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 18 6.831 10.544 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.029 10.976 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.629 9.729 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.080 11.822 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.561 11.048 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.995 12.926 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.200 12.505 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.738 14.027 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.244 13.829 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.652 16.009 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.248 15.130 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.726 15.322 -4.135 1.00 0.00 H new ATOM 275 N THR A 19 6.433 7.643 -4.458 1.00 0.00 N ATOM 276 CA THR A 19 5.480 6.739 -5.090 1.00 0.00 C ATOM 277 C THR A 19 5.254 5.496 -4.237 1.00 0.00 C ATOM 278 O THR A 19 4.797 4.467 -4.733 1.00 0.00 O ATOM 279 CB THR A 19 5.958 6.307 -6.489 1.00 0.00 C ATOM 280 OG1 THR A 19 6.715 5.096 -6.396 1.00 0.00 O ATOM 281 CG2 THR A 19 6.808 7.395 -7.130 1.00 0.00 C ATOM 0 H THR A 19 7.236 7.179 -4.032 1.00 0.00 H new ATOM 0 HA THR A 19 4.542 7.286 -5.188 1.00 0.00 H new ATOM 0 HB THR A 19 5.080 6.139 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.149 4.384 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.134 7.068 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.219 8.307 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.680 7.590 -6.506 1.00 0.00 H new ATOM 289 N ASN A 20 5.576 5.598 -2.952 1.00 0.00 N ATOM 290 CA ASN A 20 5.407 4.481 -2.030 1.00 0.00 C ATOM 291 C ASN A 20 4.344 4.796 -0.983 1.00 0.00 C ATOM 292 O ASN A 20 4.281 4.156 0.068 1.00 0.00 O ATOM 293 CB ASN A 20 6.734 4.155 -1.342 1.00 0.00 C ATOM 294 CG ASN A 20 7.867 3.962 -2.333 1.00 0.00 C ATOM 295 OD1 ASN A 20 9.096 3.956 -1.832 1.00 0.00 O flip ATOM 296 ND2 ASN A 20 7.637 3.820 -3.535 1.00 0.00 N flip ATOM 0 H ASN A 20 5.956 6.443 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 20 5.080 3.614 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.990 4.960 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.618 3.250 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.675 3.831 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.408 3.691 -4.190 1.00 0.00 H new ATOM 303 N THR A 21 3.506 5.787 -1.277 1.00 0.00 N ATOM 304 CA THR A 21 2.445 6.187 -0.361 1.00 0.00 C ATOM 305 C THR A 21 1.100 5.615 -0.795 1.00 0.00 C ATOM 306 O THR A 21 0.415 6.188 -1.643 1.00 0.00 O ATOM 307 CB THR A 21 2.333 7.721 -0.268 1.00 0.00 C ATOM 308 OG1 THR A 21 3.622 8.292 -0.017 1.00 0.00 O ATOM 309 CG2 THR A 21 1.369 8.126 0.836 1.00 0.00 C ATOM 0 H THR A 21 3.542 6.326 -2.142 1.00 0.00 H new ATOM 0 HA THR A 21 2.706 5.789 0.620 1.00 0.00 H new ATOM 0 HB THR A 21 1.950 8.094 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.543 9.267 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.306 9.213 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.382 7.714 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.727 7.742 1.791 1.00 0.00 H new ATOM 317 N CYS A 22 0.726 4.484 -0.207 1.00 0.00 N ATOM 318 CA CYS A 22 -0.537 3.835 -0.533 1.00 0.00 C ATOM 319 C CYS A 22 -1.643 4.867 -0.735 1.00 0.00 C ATOM 320 O CYS A 22 -1.901 5.695 0.139 1.00 0.00 O ATOM 321 CB CYS A 22 -0.933 2.858 0.576 1.00 0.00 C ATOM 322 SG CYS A 22 -2.401 1.850 0.191 1.00 0.00 S ATOM 0 H CYS A 22 1.280 3.998 0.498 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.404 3.284 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.092 2.194 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.121 3.420 1.491 1.00 0.00 H new ATOM 327 N ARG A 23 -2.294 4.810 -1.892 1.00 0.00 N ATOM 328 CA ARG A 23 -3.371 5.740 -2.209 1.00 0.00 C ATOM 329 C ARG A 23 -4.661 5.342 -1.497 1.00 0.00 C ATOM 330 O ARG A 23 -5.701 5.974 -1.675 1.00 0.00 O ATOM 331 CB ARG A 23 -3.605 5.786 -3.721 1.00 0.00 C ATOM 332 CG ARG A 23 -2.454 5.216 -4.533 1.00 0.00 C ATOM 333 CD ARG A 23 -2.365 5.864 -5.906 1.00 0.00 C ATOM 334 NE ARG A 23 -1.023 6.368 -6.187 1.00 0.00 N ATOM 335 CZ ARG A 23 0.053 5.592 -6.258 1.00 0.00 C ATOM 336 NH1 ARG A 23 -0.055 4.284 -6.069 1.00 0.00 N ATOM 337 NH2 ARG A 23 1.240 6.124 -6.519 1.00 0.00 N ATOM 0 H ARG A 23 -2.094 4.130 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.075 6.730 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.514 5.232 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.774 6.820 -4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.518 5.369 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.585 4.140 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.647 5.138 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.080 6.684 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.906 7.370 -6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.966 3.871 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.773 3.691 -6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.327 7.130 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.065 5.527 -6.573 1.00 0.00 H new ATOM 351 N GLY A 24 -4.584 4.288 -0.689 1.00 0.00 N ATOM 352 CA GLY A 24 -5.751 3.824 0.038 1.00 0.00 C ATOM 353 C GLY A 24 -5.590 3.958 1.539 1.00 0.00 C ATOM 354 O GLY A 24 -6.556 3.811 2.289 1.00 0.00 O ATOM 0 H GLY A 24 -3.734 3.748 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.624 4.392 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.940 2.780 -0.212 1.00 0.00 H new ATOM 358 N CYS A 25 -4.368 4.236 1.979 1.00 0.00 N ATOM 359 CA CYS A 25 -4.084 4.388 3.401 1.00 0.00 C ATOM 360 C CYS A 25 -3.403 5.725 3.680 1.00 0.00 C ATOM 361 O CYS A 25 -3.555 6.298 4.757 1.00 0.00 O ATOM 362 CB CYS A 25 -3.198 3.241 3.890 1.00 0.00 C ATOM 363 SG CYS A 25 -4.004 1.609 3.847 1.00 0.00 S ATOM 0 H CYS A 25 -3.558 4.361 1.371 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.031 4.363 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.297 3.206 3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.881 3.451 4.912 1.00 0.00 H new ATOM 368 N ASN A 26 -2.652 6.217 2.699 1.00 0.00 N ATOM 369 CA ASN A 26 -1.948 7.486 2.838 1.00 0.00 C ATOM 370 C ASN A 26 -0.641 7.302 3.604 1.00 0.00 C ATOM 371 O ASN A 26 -0.026 8.273 4.046 1.00 0.00 O ATOM 372 CB ASN A 26 -2.832 8.508 3.554 1.00 0.00 C ATOM 373 CG ASN A 26 -4.294 8.380 3.168 1.00 0.00 C ATOM 374 OD1 ASN A 26 -4.546 8.082 1.899 1.00 0.00 O flip ATOM 375 ND2 ASN A 26 -5.184 8.545 4.002 1.00 0.00 N flip ATOM 0 H ASN A 26 -2.516 5.756 1.800 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.714 7.855 1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.731 8.380 4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.484 9.514 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.943 8.773 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.162 8.454 3.729 1.00 0.00 H new ATOM 382 N HIS A 27 -0.223 6.050 3.758 1.00 0.00 N ATOM 383 CA HIS A 27 1.012 5.738 4.470 1.00 0.00 C ATOM 384 C HIS A 27 2.056 5.160 3.519 1.00 0.00 C ATOM 385 O HIS A 27 1.737 4.761 2.398 1.00 0.00 O ATOM 386 CB HIS A 27 0.736 4.750 5.603 1.00 0.00 C ATOM 387 CG HIS A 27 -0.196 5.282 6.648 1.00 0.00 C ATOM 388 ND1 HIS A 27 -0.066 6.537 7.205 1.00 0.00 N ATOM 389 CD2 HIS A 27 -1.280 4.723 7.235 1.00 0.00 C ATOM 390 CE1 HIS A 27 -1.028 6.725 8.091 1.00 0.00 C ATOM 391 NE2 HIS A 27 -1.778 5.640 8.128 1.00 0.00 N ATOM 0 H HIS A 27 -0.721 5.235 3.400 1.00 0.00 H new ATOM 0 HA HIS A 27 1.403 6.664 4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.314 3.837 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.680 4.478 6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.679 3.739 7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.175 7.615 8.684 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.595 5.504 8.723 1.00 0.00 H new ATOM 399 N LEU A 28 3.304 5.120 3.973 1.00 0.00 N ATOM 400 CA LEU A 28 4.396 4.592 3.163 1.00 0.00 C ATOM 401 C LEU A 28 4.364 3.068 3.131 1.00 0.00 C ATOM 402 O LEU A 28 3.849 2.428 4.050 1.00 0.00 O ATOM 403 CB LEU A 28 5.742 5.075 3.708 1.00 0.00 C ATOM 404 CG LEU A 28 6.090 6.538 3.436 1.00 0.00 C ATOM 405 CD1 LEU A 28 7.357 6.932 4.181 1.00 0.00 C ATOM 406 CD2 LEU A 28 6.252 6.779 1.942 1.00 0.00 C ATOM 0 H LEU A 28 3.585 5.447 4.898 1.00 0.00 H new ATOM 0 HA LEU A 28 4.270 4.960 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.754 4.914 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.528 4.450 3.284 1.00 0.00 H new ATOM 0 HG LEU A 28 5.271 7.160 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.590 7.977 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.206 6.798 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.184 6.304 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.500 7.826 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.052 6.148 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.320 6.536 1.431 1.00 0.00 H new ATOM 418 N VAL A 29 4.919 2.490 2.071 1.00 0.00 N ATOM 419 CA VAL A 29 4.956 1.040 1.922 1.00 0.00 C ATOM 420 C VAL A 29 6.079 0.613 0.983 1.00 0.00 C ATOM 421 O VAL A 29 6.089 0.971 -0.195 1.00 0.00 O ATOM 422 CB VAL A 29 3.618 0.496 1.385 1.00 0.00 C ATOM 423 CG1 VAL A 29 3.096 -0.616 2.281 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.598 1.617 1.264 1.00 0.00 C ATOM 0 H VAL A 29 5.349 3.004 1.302 1.00 0.00 H new ATOM 0 HA VAL A 29 5.137 0.624 2.913 1.00 0.00 H new ATOM 0 HB VAL A 29 3.787 0.080 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.151 -0.988 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.821 -1.429 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.941 -0.229 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.659 1.215 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.431 2.064 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.972 2.377 0.578 1.00 0.00 H new ATOM 434 N CYS A 30 7.025 -0.155 1.513 1.00 0.00 N ATOM 435 CA CYS A 30 8.154 -0.633 0.724 1.00 0.00 C ATOM 436 C CYS A 30 7.679 -1.244 -0.591 1.00 0.00 C ATOM 437 O CYS A 30 6.479 -1.406 -0.814 1.00 0.00 O ATOM 438 CB CYS A 30 8.958 -1.664 1.518 1.00 0.00 C ATOM 439 SG CYS A 30 8.024 -3.169 1.942 1.00 0.00 S ATOM 0 H CYS A 30 7.032 -0.460 2.486 1.00 0.00 H new ATOM 0 HA CYS A 30 8.794 0.220 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.838 -1.946 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.316 -1.200 2.437 1.00 0.00 H new ATOM 444 N ARG A 31 8.629 -1.581 -1.458 1.00 0.00 N ATOM 445 CA ARG A 31 8.308 -2.173 -2.751 1.00 0.00 C ATOM 446 C ARG A 31 8.005 -3.662 -2.606 1.00 0.00 C ATOM 447 O ARG A 31 7.890 -4.382 -3.599 1.00 0.00 O ATOM 448 CB ARG A 31 9.465 -1.970 -3.730 1.00 0.00 C ATOM 449 CG ARG A 31 10.797 -2.491 -3.216 1.00 0.00 C ATOM 450 CD ARG A 31 11.861 -2.472 -4.302 1.00 0.00 C ATOM 451 NE ARG A 31 13.172 -2.861 -3.792 1.00 0.00 N ATOM 452 CZ ARG A 31 14.301 -2.713 -4.477 1.00 0.00 C ATOM 453 NH1 ARG A 31 14.278 -2.185 -5.693 1.00 0.00 N ATOM 454 NH2 ARG A 31 15.456 -3.092 -3.944 1.00 0.00 N ATOM 0 H ARG A 31 9.627 -1.454 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 31 7.420 -1.675 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.227 -2.470 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.561 -0.907 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.126 -1.883 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.672 -3.509 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.570 -3.148 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.922 -1.472 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 31 13.224 -3.269 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.392 -1.891 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.146 -2.072 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.477 -3.497 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.322 -2.978 -4.470 1.00 0.00 H new ATOM 468 N ASP A 32 7.878 -4.117 -1.364 1.00 0.00 N ATOM 469 CA ASP A 32 7.587 -5.520 -1.090 1.00 0.00 C ATOM 470 C ASP A 32 6.193 -5.679 -0.494 1.00 0.00 C ATOM 471 O ASP A 32 5.653 -6.785 -0.437 1.00 0.00 O ATOM 472 CB ASP A 32 8.633 -6.101 -0.137 1.00 0.00 C ATOM 473 CG ASP A 32 8.570 -7.614 -0.062 1.00 0.00 C ATOM 474 OD1 ASP A 32 9.189 -8.277 -0.920 1.00 0.00 O ATOM 475 OD2 ASP A 32 7.902 -8.134 0.856 1.00 0.00 O ATOM 0 H ASP A 32 7.972 -3.535 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 32 7.623 -6.065 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.627 -5.797 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.484 -5.684 0.859 1.00 0.00 H new ATOM 480 N CYS A 33 5.614 -4.569 -0.049 1.00 0.00 N ATOM 481 CA CYS A 33 4.283 -4.585 0.544 1.00 0.00 C ATOM 482 C CYS A 33 3.244 -4.045 -0.435 1.00 0.00 C ATOM 483 O CYS A 33 2.065 -3.924 -0.101 1.00 0.00 O ATOM 484 CB CYS A 33 4.265 -3.757 1.831 1.00 0.00 C ATOM 485 SG CYS A 33 5.186 -4.510 3.212 1.00 0.00 S ATOM 0 H CYS A 33 6.047 -3.646 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 33 4.031 -5.619 0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.684 -2.772 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.230 -3.605 2.138 1.00 0.00 H new ATOM 490 N ARG A 34 3.691 -3.723 -1.645 1.00 0.00 N ATOM 491 CA ARG A 34 2.801 -3.196 -2.672 1.00 0.00 C ATOM 492 C ARG A 34 2.292 -4.315 -3.577 1.00 0.00 C ATOM 493 O ARG A 34 3.064 -5.158 -4.031 1.00 0.00 O ATOM 494 CB ARG A 34 3.523 -2.138 -3.508 1.00 0.00 C ATOM 495 CG ARG A 34 4.757 -1.565 -2.831 1.00 0.00 C ATOM 496 CD ARG A 34 5.388 -0.460 -3.664 1.00 0.00 C ATOM 497 NE ARG A 34 5.833 -0.943 -4.968 1.00 0.00 N ATOM 498 CZ ARG A 34 6.283 -0.149 -5.932 1.00 0.00 C ATOM 499 NH1 ARG A 34 6.346 1.162 -5.740 1.00 0.00 N ATOM 500 NH2 ARG A 34 6.670 -0.664 -7.092 1.00 0.00 N ATOM 0 H ARG A 34 4.664 -3.818 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 34 1.946 -2.736 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.813 -2.577 -4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.830 -1.326 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.486 -1.173 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.485 -2.359 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.667 0.346 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.237 -0.039 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 34 5.796 -1.946 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.048 1.562 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.692 1.770 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.622 -1.671 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.015 -0.052 -7.832 1.00 0.00 H new ATOM 514 N ILE A 35 0.988 -4.314 -3.833 1.00 0.00 N ATOM 515 CA ILE A 35 0.377 -5.327 -4.684 1.00 0.00 C ATOM 516 C ILE A 35 -0.114 -4.721 -5.995 1.00 0.00 C ATOM 517 O ILE A 35 -1.104 -3.991 -6.019 1.00 0.00 O ATOM 518 CB ILE A 35 -0.803 -6.019 -3.977 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.311 -7.224 -3.175 1.00 0.00 C ATOM 520 CG2 ILE A 35 -1.853 -6.444 -4.992 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.392 -6.850 -1.889 1.00 0.00 C ATOM 0 H ILE A 35 0.335 -3.623 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 35 1.148 -6.068 -4.896 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.259 -5.310 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.161 -7.866 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.369 -7.809 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.681 -6.932 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.222 -5.566 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.409 -7.139 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.713 -7.755 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.262 -6.234 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.292 -6.291 -1.250 1.00 0.00 H new ATOM 533 N GLN A 36 0.584 -5.032 -7.082 1.00 0.00 N ATOM 534 CA GLN A 36 0.218 -4.520 -8.397 1.00 0.00 C ATOM 535 C GLN A 36 -1.270 -4.720 -8.664 1.00 0.00 C ATOM 536 O GLN A 36 -1.756 -5.851 -8.704 1.00 0.00 O ATOM 537 CB GLN A 36 1.042 -5.211 -9.485 1.00 0.00 C ATOM 538 CG GLN A 36 2.122 -4.325 -10.085 1.00 0.00 C ATOM 539 CD GLN A 36 1.554 -3.215 -10.947 1.00 0.00 C ATOM 540 OE1 GLN A 36 1.268 -2.075 -10.330 1.00 0.00 O flip ATOM 541 NE2 GLN A 36 1.375 -3.380 -12.153 1.00 0.00 N flip ATOM 0 H GLN A 36 1.406 -5.636 -7.078 1.00 0.00 H new ATOM 0 HA GLN A 36 0.431 -3.451 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.507 -6.103 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.374 -5.544 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.716 -3.888 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.797 -4.936 -10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.609 -4.273 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.992 -2.623 -12.720 1.00 0.00 H new ATOM 550 N GLU A 37 -1.988 -3.617 -8.848 1.00 0.00 N ATOM 551 CA GLU A 37 -3.421 -3.673 -9.110 1.00 0.00 C ATOM 552 C GLU A 37 -3.701 -3.644 -10.610 1.00 0.00 C ATOM 553 O GLU A 37 -2.827 -3.309 -11.409 1.00 0.00 O ATOM 554 CB GLU A 37 -4.134 -2.507 -8.424 1.00 0.00 C ATOM 555 CG GLU A 37 -4.104 -2.582 -6.907 1.00 0.00 C ATOM 556 CD GLU A 37 -4.994 -3.681 -6.359 1.00 0.00 C ATOM 557 OE1 GLU A 37 -5.035 -3.848 -5.122 1.00 0.00 O ATOM 558 OE2 GLU A 37 -5.648 -4.372 -7.166 1.00 0.00 O ATOM 0 H GLU A 37 -1.601 -2.674 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.802 -4.610 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.672 -1.572 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.171 -2.480 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.079 -2.750 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.419 -1.624 -6.493 1.00 0.00 H new ATOM 565 N SER A 38 -4.926 -3.998 -10.985 1.00 0.00 N ATOM 566 CA SER A 38 -5.321 -4.016 -12.388 1.00 0.00 C ATOM 567 C SER A 38 -5.995 -2.705 -12.780 1.00 0.00 C ATOM 568 O SER A 38 -6.723 -2.640 -13.770 1.00 0.00 O ATOM 569 CB SER A 38 -6.265 -5.189 -12.658 1.00 0.00 C ATOM 570 OG SER A 38 -5.552 -6.411 -12.736 1.00 0.00 O ATOM 0 H SER A 38 -5.662 -4.276 -10.336 1.00 0.00 H new ATOM 0 HA SER A 38 -4.422 -4.136 -12.992 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.011 -5.250 -11.865 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.804 -5.019 -13.590 1.00 0.00 H new ATOM 0 HG SER A 38 -6.178 -7.145 -12.907 1.00 0.00 H new ATOM 576 N ASN A 39 -5.747 -1.661 -11.996 1.00 0.00 N ATOM 577 CA ASN A 39 -6.330 -0.350 -12.259 1.00 0.00 C ATOM 578 C ASN A 39 -5.260 0.640 -12.712 1.00 0.00 C ATOM 579 O ASN A 39 -5.545 1.812 -12.947 1.00 0.00 O ATOM 580 CB ASN A 39 -7.033 0.179 -11.008 1.00 0.00 C ATOM 581 CG ASN A 39 -8.481 0.545 -11.270 1.00 0.00 C ATOM 582 OD1 ASN A 39 -9.030 0.234 -12.327 1.00 0.00 O ATOM 583 ND2 ASN A 39 -9.108 1.207 -10.305 1.00 0.00 N ATOM 0 H ASN A 39 -5.146 -1.697 -11.173 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.062 -0.459 -13.060 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.988 -0.576 -10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.501 1.055 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.084 1.478 -10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.614 1.444 -9.445 1.00 0.00 H new ATOM 590 N GLY A 40 -4.026 0.156 -12.830 1.00 0.00 N ATOM 591 CA GLY A 40 -2.934 1.011 -13.255 1.00 0.00 C ATOM 592 C GLY A 40 -2.108 1.519 -12.088 1.00 0.00 C ATOM 593 O GLY A 40 -1.048 2.115 -12.281 1.00 0.00 O ATOM 0 H GLY A 40 -3.765 -0.811 -12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.290 0.459 -13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.335 1.860 -13.809 1.00 0.00 H new ATOM 597 N THR A 41 -2.596 1.285 -10.874 1.00 0.00 N ATOM 598 CA THR A 41 -1.899 1.726 -9.673 1.00 0.00 C ATOM 599 C THR A 41 -1.513 0.540 -8.795 1.00 0.00 C ATOM 600 O THR A 41 -1.449 -0.596 -9.265 1.00 0.00 O ATOM 601 CB THR A 41 -2.760 2.700 -8.848 1.00 0.00 C ATOM 602 OG1 THR A 41 -1.957 3.341 -7.851 1.00 0.00 O ATOM 603 CG2 THR A 41 -3.917 1.971 -8.183 1.00 0.00 C ATOM 0 H THR A 41 -3.471 0.792 -10.697 1.00 0.00 H new ATOM 0 HA THR A 41 -0.997 2.241 -10.003 1.00 0.00 H new ATOM 0 HB THR A 41 -3.167 3.452 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.450 4.073 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.510 2.680 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.544 1.510 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.527 1.199 -7.519 1.00 0.00 H new ATOM 611 N TRP A 42 -1.257 0.812 -7.520 1.00 0.00 N ATOM 612 CA TRP A 42 -0.878 -0.234 -6.577 1.00 0.00 C ATOM 613 C TRP A 42 -1.427 0.063 -5.186 1.00 0.00 C ATOM 614 O TRP A 42 -1.686 1.217 -4.845 1.00 0.00 O ATOM 615 CB TRP A 42 0.645 -0.371 -6.520 1.00 0.00 C ATOM 616 CG TRP A 42 1.333 0.862 -6.018 1.00 0.00 C ATOM 617 CD1 TRP A 42 1.994 1.794 -6.766 1.00 0.00 C ATOM 618 CD2 TRP A 42 1.430 1.295 -4.656 1.00 0.00 C ATOM 619 NE1 TRP A 42 2.495 2.781 -5.951 1.00 0.00 N ATOM 620 CE2 TRP A 42 2.163 2.498 -4.653 1.00 0.00 C ATOM 621 CE3 TRP A 42 0.968 0.785 -3.441 1.00 0.00 C ATOM 622 CZ2 TRP A 42 2.443 3.195 -3.481 1.00 0.00 C ATOM 623 CZ3 TRP A 42 1.247 1.477 -2.279 1.00 0.00 C ATOM 624 CH2 TRP A 42 1.979 2.673 -2.304 1.00 0.00 C ATOM 0 H TRP A 42 -1.305 1.747 -7.116 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.307 -1.174 -6.923 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.903 -1.211 -5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.019 -0.607 -7.516 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.107 1.760 -7.840 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.028 3.593 -6.263 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.402 -0.135 -3.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.007 4.116 -3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.895 1.090 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.180 3.191 -1.378 1.00 0.00 H new ATOM 635 N ARG A 43 -1.600 -0.985 -4.387 1.00 0.00 N ATOM 636 CA ARG A 43 -2.119 -0.836 -3.033 1.00 0.00 C ATOM 637 C ARG A 43 -1.445 -1.819 -2.081 1.00 0.00 C ATOM 638 O ARG A 43 -1.245 -2.987 -2.417 1.00 0.00 O ATOM 639 CB ARG A 43 -3.633 -1.050 -3.017 1.00 0.00 C ATOM 640 CG ARG A 43 -4.422 0.131 -3.558 1.00 0.00 C ATOM 641 CD ARG A 43 -5.174 0.853 -2.451 1.00 0.00 C ATOM 642 NE ARG A 43 -6.608 0.579 -2.494 1.00 0.00 N ATOM 643 CZ ARG A 43 -7.461 1.250 -3.259 1.00 0.00 C ATOM 644 NH1 ARG A 43 -7.027 2.229 -4.041 1.00 0.00 N ATOM 645 NH2 ARG A 43 -8.751 0.942 -3.244 1.00 0.00 N ATOM 0 H ARG A 43 -1.388 -1.946 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.899 0.177 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.872 -1.936 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.952 -1.251 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.744 0.827 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.128 -0.217 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.776 0.548 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.007 1.926 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.974 -0.168 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.036 2.468 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.685 2.743 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.089 0.189 -2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.405 1.458 -3.832 1.00 0.00 H new ATOM 659 N CYS A 44 -1.097 -1.339 -0.892 1.00 0.00 N ATOM 660 CA CYS A 44 -0.445 -2.175 0.109 1.00 0.00 C ATOM 661 C CYS A 44 -1.089 -3.557 0.167 1.00 0.00 C ATOM 662 O CYS A 44 -2.195 -3.761 -0.334 1.00 0.00 O ATOM 663 CB CYS A 44 -0.516 -1.508 1.485 1.00 0.00 C ATOM 664 SG CYS A 44 -2.167 -1.563 2.253 1.00 0.00 S ATOM 0 H CYS A 44 -1.256 -0.375 -0.598 1.00 0.00 H new ATOM 0 HA CYS A 44 0.600 -2.293 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.199 -1.993 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.206 -0.467 1.389 1.00 0.00 H new ATOM 669 N LYS A 45 -0.390 -4.504 0.785 1.00 0.00 N ATOM 670 CA LYS A 45 -0.892 -5.867 0.911 1.00 0.00 C ATOM 671 C LYS A 45 -2.156 -5.903 1.765 1.00 0.00 C ATOM 672 O LYS A 45 -2.888 -6.894 1.767 1.00 0.00 O ATOM 673 CB LYS A 45 0.177 -6.771 1.526 1.00 0.00 C ATOM 674 CG LYS A 45 1.594 -6.403 1.118 1.00 0.00 C ATOM 675 CD LYS A 45 2.534 -7.590 1.235 1.00 0.00 C ATOM 676 CE LYS A 45 2.892 -8.156 -0.131 1.00 0.00 C ATOM 677 NZ LYS A 45 3.864 -9.279 -0.029 1.00 0.00 N ATOM 0 H LYS A 45 0.526 -4.352 1.206 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.137 -6.232 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.098 -6.726 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.020 -7.803 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.594 -6.037 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.955 -5.589 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.443 -7.285 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.067 -8.367 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.987 -8.504 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.314 -7.366 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.668 -9.976 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.831 -8.913 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.773 -9.734 0.902 1.00 0.00 H new ATOM 691 N VAL A 46 -2.407 -4.818 2.490 1.00 0.00 N ATOM 692 CA VAL A 46 -3.583 -4.725 3.345 1.00 0.00 C ATOM 693 C VAL A 46 -4.764 -4.121 2.593 1.00 0.00 C ATOM 694 O VAL A 46 -5.915 -4.255 3.011 1.00 0.00 O ATOM 695 CB VAL A 46 -3.300 -3.876 4.599 1.00 0.00 C ATOM 696 CG1 VAL A 46 -4.446 -3.993 5.593 1.00 0.00 C ATOM 697 CG2 VAL A 46 -1.985 -4.295 5.239 1.00 0.00 C ATOM 0 H VAL A 46 -1.811 -3.991 2.502 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.832 -5.741 3.651 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.216 -2.832 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.228 -3.387 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.368 -3.642 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.564 -5.035 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.800 -3.685 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.039 -5.345 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.173 -4.155 4.526 1.00 0.00 H new ATOM 707 N CYS A 47 -4.472 -3.455 1.481 1.00 0.00 N ATOM 708 CA CYS A 47 -5.508 -2.830 0.669 1.00 0.00 C ATOM 709 C CYS A 47 -5.881 -3.717 -0.515 1.00 0.00 C ATOM 710 O CYS A 47 -7.060 -3.905 -0.816 1.00 0.00 O ATOM 711 CB CYS A 47 -5.037 -1.463 0.167 1.00 0.00 C ATOM 712 SG CYS A 47 -5.362 -0.094 1.325 1.00 0.00 S ATOM 0 H CYS A 47 -3.525 -3.334 1.122 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.392 -2.696 1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.966 -1.510 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.529 -1.247 -0.782 1.00 0.00 H new ATOM 717 N ALA A 48 -4.869 -4.260 -1.183 1.00 0.00 N ATOM 718 CA ALA A 48 -5.090 -5.129 -2.332 1.00 0.00 C ATOM 719 C ALA A 48 -5.797 -6.416 -1.918 1.00 0.00 C ATOM 720 O ALA A 48 -6.447 -7.069 -2.735 1.00 0.00 O ATOM 721 CB ALA A 48 -3.768 -5.446 -3.016 1.00 0.00 C ATOM 0 H ALA A 48 -3.887 -4.113 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.733 -4.603 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.948 -6.096 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.302 -4.520 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.105 -5.949 -2.312 1.00 0.00 H new ATOM 727 N LYS A 49 -5.664 -6.776 -0.647 1.00 0.00 N ATOM 728 CA LYS A 49 -6.289 -7.985 -0.124 1.00 0.00 C ATOM 729 C LYS A 49 -7.603 -7.658 0.578 1.00 0.00 C ATOM 730 O LYS A 49 -7.812 -8.035 1.730 1.00 0.00 O ATOM 731 CB LYS A 49 -5.342 -8.695 0.847 1.00 0.00 C ATOM 732 CG LYS A 49 -4.324 -9.588 0.160 1.00 0.00 C ATOM 733 CD LYS A 49 -4.829 -11.016 0.034 1.00 0.00 C ATOM 734 CE LYS A 49 -4.774 -11.502 -1.406 1.00 0.00 C ATOM 735 NZ LYS A 49 -3.432 -11.287 -2.013 1.00 0.00 N ATOM 0 H LYS A 49 -5.128 -6.247 0.041 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.501 -8.647 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.815 -7.947 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.930 -9.296 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.101 -9.191 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.392 -9.579 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.228 -11.672 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.854 -11.074 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.023 -12.563 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.527 -10.978 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.238 -12.041 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.412 -10.365 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.707 -11.305 -1.268 1.00 0.00 H new ATOM 749 N GLU A 50 -8.486 -6.954 -0.125 1.00 0.00 N ATOM 750 CA GLU A 50 -9.780 -6.578 0.432 1.00 0.00 C ATOM 751 C GLU A 50 -10.642 -5.883 -0.616 1.00 0.00 C ATOM 752 O GLU A 50 -10.166 -5.017 -1.352 1.00 0.00 O ATOM 753 CB GLU A 50 -9.591 -5.661 1.643 1.00 0.00 C ATOM 754 CG GLU A 50 -10.734 -4.682 1.849 1.00 0.00 C ATOM 755 CD GLU A 50 -10.577 -3.421 1.022 1.00 0.00 C ATOM 756 OE1 GLU A 50 -11.426 -3.182 0.138 1.00 0.00 O ATOM 757 OE2 GLU A 50 -9.606 -2.672 1.259 1.00 0.00 O ATOM 0 H GLU A 50 -8.328 -6.633 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.289 -7.488 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.482 -6.273 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.662 -5.103 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.675 -5.168 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.793 -4.415 2.904 1.00 0.00 H new ATOM 764 N ILE A 51 -11.912 -6.267 -0.679 1.00 0.00 N ATOM 765 CA ILE A 51 -12.841 -5.681 -1.638 1.00 0.00 C ATOM 766 C ILE A 51 -14.244 -5.576 -1.049 1.00 0.00 C ATOM 767 O ILE A 51 -15.222 -5.414 -1.777 1.00 0.00 O ATOM 768 CB ILE A 51 -12.903 -6.504 -2.938 1.00 0.00 C ATOM 769 CG1 ILE A 51 -12.863 -8.000 -2.623 1.00 0.00 C ATOM 770 CG2 ILE A 51 -11.756 -6.120 -3.862 1.00 0.00 C ATOM 771 CD1 ILE A 51 -13.524 -8.858 -3.679 1.00 0.00 C ATOM 0 H ILE A 51 -12.322 -6.982 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.469 -4.682 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.842 -6.285 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.825 -8.312 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.353 -8.175 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.813 -6.710 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.826 -5.061 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.806 -6.314 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -13.458 -9.907 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.572 -8.574 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.019 -8.713 -4.634 1.00 0.00 H new ATOM 783 N GLU A 52 -14.333 -5.667 0.275 1.00 0.00 N ATOM 784 CA GLU A 52 -15.617 -5.581 0.961 1.00 0.00 C ATOM 785 C GLU A 52 -15.673 -4.347 1.857 1.00 0.00 C ATOM 786 O GLU A 52 -15.981 -4.443 3.046 1.00 0.00 O ATOM 787 CB GLU A 52 -15.861 -6.841 1.793 1.00 0.00 C ATOM 788 CG GLU A 52 -15.436 -8.123 1.096 1.00 0.00 C ATOM 789 CD GLU A 52 -16.440 -8.583 0.059 1.00 0.00 C ATOM 790 OE1 GLU A 52 -17.099 -9.619 0.290 1.00 0.00 O ATOM 791 OE2 GLU A 52 -16.567 -7.910 -0.985 1.00 0.00 O ATOM 0 H GLU A 52 -13.532 -5.800 0.893 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.399 -5.496 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.321 -6.754 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -16.921 -6.905 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.469 -7.968 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.301 -8.909 1.839 1.00 0.00 H new ATOM 798 N LEU A 53 -15.373 -3.190 1.279 1.00 0.00 N ATOM 799 CA LEU A 53 -15.389 -1.936 2.024 1.00 0.00 C ATOM 800 C LEU A 53 -16.420 -0.972 1.447 1.00 0.00 C ATOM 801 O LEU A 53 -17.617 -1.235 1.556 1.00 0.00 O ATOM 802 CB LEU A 53 -14.002 -1.290 2.003 1.00 0.00 C ATOM 803 CG LEU A 53 -13.624 -0.473 3.239 1.00 0.00 C ATOM 804 CD1 LEU A 53 -12.267 -0.907 3.771 1.00 0.00 C ATOM 805 CD2 LEU A 53 -13.621 1.014 2.915 1.00 0.00 C ATOM 0 H LEU A 53 -15.116 -3.094 0.297 1.00 0.00 H new ATOM 0 HA LEU A 53 -15.664 -2.158 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.259 -2.076 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.939 -0.641 1.130 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.370 -0.654 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.015 -0.315 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.303 -1.962 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.509 -0.756 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.350 1.580 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.897 1.213 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.614 1.316 2.582 1.00 0.00 H new TER 817 LEU A 53 HETATM 818 ZN ZN A 201 6.901 -3.083 3.982 1.00 0.00 ZN HETATM 819 ZN ZN A 202 -3.165 0.520 1.945 1.00 0.00 ZN