USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 51 TYR OH : rot -61:sc= 0.00915 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -173:sc= 0.247 (180deg=0.242) USER MOD Set 1.3: A 61 TYR OH : rot 180:sc= -2.4! USER MOD Set 2.1: A 33 CYS SG : rot 100:sc= -1.18 USER MOD Set 2.2: A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -57:sc= 0.107 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.44) USER MOD Single : A 46 GLN : amide:sc= -1.88 K(o=-1.9,f=-2.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0.122 (180deg=0.115) USER MOD Single : A 60 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.5!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0224 F(o=-1,f=-0.022) USER MOD Single : A 70 HIS : +bothHN:sc= 0.295 K(o=0.29,f=-4.3!) USER MOD Single : A 83 CYS SG : rot -34:sc= 1.26 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.572 9.671 3.314 1.00 0.00 N ATOM 28 CA PHE A 18 -7.589 9.436 2.263 1.00 0.00 C ATOM 29 C PHE A 18 -7.569 7.966 1.857 1.00 0.00 C ATOM 30 O PHE A 18 -8.036 7.101 2.599 1.00 0.00 O ATOM 31 CB PHE A 18 -6.198 9.867 2.731 1.00 0.00 C ATOM 32 CG PHE A 18 -5.406 10.584 1.675 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.726 9.873 0.700 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.342 11.967 1.661 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.996 10.530 -0.271 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.611 12.629 0.691 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.939 11.910 -0.276 1.00 0.00 C ATOM 0 HA PHE A 18 -7.873 10.031 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.301 10.516 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.643 8.986 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.767 8.794 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.868 12.534 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.470 9.965 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.566 13.708 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.370 12.425 -1.035 1.00 0.00 H new ATOM 47 N LYS A 19 -7.024 7.687 0.678 1.00 0.00 N ATOM 48 CA LYS A 19 -6.942 6.319 0.180 1.00 0.00 C ATOM 49 C LYS A 19 -5.964 6.214 -0.985 1.00 0.00 C ATOM 50 O LYS A 19 -6.132 6.869 -2.014 1.00 0.00 O ATOM 51 CB LYS A 19 -8.326 5.831 -0.255 1.00 0.00 C ATOM 52 CG LYS A 19 -9.076 5.078 0.833 1.00 0.00 C ATOM 53 CD LYS A 19 -9.507 3.695 0.369 1.00 0.00 C ATOM 54 CE LYS A 19 -10.997 3.475 0.578 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.294 2.929 1.931 1.00 0.00 N ATOM 0 H LYS A 19 -6.633 8.389 0.050 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.576 5.688 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.922 6.688 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.217 5.183 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.441 4.984 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.954 5.651 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.265 3.573 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.946 2.936 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.526 4.419 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.372 2.788 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.320 2.794 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.811 2.016 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.959 3.596 2.656 1.00 0.00 H new ATOM 69 N VAL A 20 -4.943 5.379 -0.815 1.00 0.00 N ATOM 70 CA VAL A 20 -3.938 5.178 -1.852 1.00 0.00 C ATOM 71 C VAL A 20 -3.659 3.693 -2.058 1.00 0.00 C ATOM 72 O VAL A 20 -3.886 2.881 -1.161 1.00 0.00 O ATOM 73 CB VAL A 20 -2.617 5.895 -1.509 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.789 7.403 -1.598 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.129 5.485 -0.129 1.00 0.00 C ATOM 0 H VAL A 20 -4.790 4.831 0.032 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.341 5.605 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.863 5.596 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.846 7.892 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.087 7.676 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.558 7.724 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.196 6.001 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.879 5.751 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.962 4.408 -0.107 1.00 0.00 H new ATOM 85 N THR A 21 -3.172 3.343 -3.242 1.00 0.00 N ATOM 86 CA THR A 21 -2.869 1.953 -3.560 1.00 0.00 C ATOM 87 C THR A 21 -1.382 1.765 -3.840 1.00 0.00 C ATOM 88 O THR A 21 -0.832 2.363 -4.766 1.00 0.00 O ATOM 89 CB THR A 21 -3.687 1.496 -4.770 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.068 1.732 -4.560 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.517 0.026 -5.089 1.00 0.00 C ATOM 0 H THR A 21 -2.979 4.001 -3.997 1.00 0.00 H new ATOM 0 HA THR A 21 -3.135 1.345 -2.695 1.00 0.00 H new ATOM 0 HB THR A 21 -3.309 2.079 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.356 1.279 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.124 -0.231 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.469 -0.180 -5.306 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.835 -0.571 -4.234 1.00 0.00 H new ATOM 99 N VAL A 22 -0.736 0.926 -3.036 1.00 0.00 N ATOM 100 CA VAL A 22 0.686 0.655 -3.199 1.00 0.00 C ATOM 101 C VAL A 22 0.906 -0.638 -3.977 1.00 0.00 C ATOM 102 O VAL A 22 0.757 -1.733 -3.435 1.00 0.00 O ATOM 103 CB VAL A 22 1.401 0.550 -1.838 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.906 0.440 -2.031 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.053 1.742 -0.960 1.00 0.00 C ATOM 0 H VAL A 22 -1.176 0.423 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 22 1.108 1.492 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 22 1.057 -0.354 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.393 0.367 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.133 -0.449 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.271 1.324 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.567 1.651 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.366 2.662 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.024 1.769 -0.793 1.00 0.00 H new ATOM 115 N CYS A 23 1.254 -0.504 -5.251 1.00 0.00 N ATOM 116 CA CYS A 23 1.487 -1.662 -6.105 1.00 0.00 C ATOM 117 C CYS A 23 2.907 -2.191 -5.939 1.00 0.00 C ATOM 118 O CYS A 23 3.856 -1.634 -6.492 1.00 0.00 O ATOM 119 CB CYS A 23 1.234 -1.300 -7.570 1.00 0.00 C ATOM 120 SG CYS A 23 0.839 -2.717 -8.622 1.00 0.00 S ATOM 0 H CYS A 23 1.381 0.395 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 23 0.792 -2.446 -5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.414 -0.584 -7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.118 -0.801 -7.968 1.00 0.00 H new ATOM 0 HG CYS A 23 0.640 -2.311 -9.841 1.00 0.00 H new ATOM 126 N PHE A 24 3.043 -3.271 -5.179 1.00 0.00 N ATOM 127 CA PHE A 24 4.346 -3.881 -4.946 1.00 0.00 C ATOM 128 C PHE A 24 4.710 -4.818 -6.092 1.00 0.00 C ATOM 129 O PHE A 24 4.240 -5.953 -6.150 1.00 0.00 O ATOM 130 CB PHE A 24 4.344 -4.653 -3.626 1.00 0.00 C ATOM 131 CG PHE A 24 4.444 -3.770 -2.415 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.638 -3.145 -2.093 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.343 -3.568 -1.599 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.732 -2.333 -0.979 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.432 -2.758 -0.483 1.00 0.00 C ATOM 136 CZ PHE A 24 4.627 -2.139 -0.173 1.00 0.00 C ATOM 0 H PHE A 24 2.267 -3.742 -4.714 1.00 0.00 H new ATOM 0 HA PHE A 24 5.090 -3.086 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.430 -5.243 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.178 -5.355 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.505 -3.294 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.406 -4.048 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.668 -1.851 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.567 -2.609 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.697 -1.504 0.698 1.00 0.00 H new ATOM 146 N GLY A 25 5.545 -4.332 -7.006 1.00 0.00 N ATOM 147 CA GLY A 25 5.950 -5.140 -8.142 1.00 0.00 C ATOM 148 C GLY A 25 4.773 -5.549 -9.006 1.00 0.00 C ATOM 149 O GLY A 25 4.481 -4.907 -10.013 1.00 0.00 O ATOM 0 H GLY A 25 5.947 -3.395 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.665 -4.581 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.464 -6.033 -7.785 1.00 0.00 H new ATOM 153 N ARG A 26 4.095 -6.621 -8.607 1.00 0.00 N ATOM 154 CA ARG A 26 2.939 -7.115 -9.347 1.00 0.00 C ATOM 155 C ARG A 26 1.774 -7.398 -8.404 1.00 0.00 C ATOM 156 O ARG A 26 0.967 -8.296 -8.649 1.00 0.00 O ATOM 157 CB ARG A 26 3.305 -8.383 -10.121 1.00 0.00 C ATOM 158 CG ARG A 26 3.913 -8.107 -11.486 1.00 0.00 C ATOM 159 CD ARG A 26 5.428 -8.222 -11.458 1.00 0.00 C ATOM 160 NE ARG A 26 6.024 -7.931 -12.759 1.00 0.00 N ATOM 161 CZ ARG A 26 7.257 -8.293 -13.109 1.00 0.00 C ATOM 162 NH1 ARG A 26 8.027 -8.961 -12.257 1.00 0.00 N ATOM 163 NH2 ARG A 26 7.720 -7.987 -14.313 1.00 0.00 N ATOM 0 H ARG A 26 4.326 -7.164 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 26 2.633 -6.344 -10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.009 -8.969 -9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.410 -8.993 -10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.508 -8.810 -12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.630 -7.107 -11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.830 -7.535 -10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.709 -9.228 -11.148 1.00 0.00 H new ATOM 0 HE ARG A 26 5.463 -7.420 -13.440 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.675 -9.199 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.971 -9.236 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.132 -7.475 -14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.664 -8.264 -14.582 1.00 0.00 H new ATOM 177 N THR A 27 1.692 -6.624 -7.325 1.00 0.00 N ATOM 178 CA THR A 27 0.626 -6.788 -6.342 1.00 0.00 C ATOM 179 C THR A 27 0.097 -5.432 -5.887 1.00 0.00 C ATOM 180 O THR A 27 0.837 -4.624 -5.325 1.00 0.00 O ATOM 181 CB THR A 27 1.136 -7.581 -5.138 1.00 0.00 C ATOM 182 OG1 THR A 27 1.959 -8.656 -5.557 1.00 0.00 O ATOM 183 CG2 THR A 27 0.026 -8.160 -4.286 1.00 0.00 C ATOM 0 H THR A 27 2.352 -5.877 -7.110 1.00 0.00 H new ATOM 0 HA THR A 27 -0.190 -7.338 -6.811 1.00 0.00 H new ATOM 0 HB THR A 27 1.696 -6.864 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.276 -9.150 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.458 -8.710 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.599 -7.352 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.581 -8.835 -4.889 1.00 0.00 H new ATOM 191 N ARG A 28 -1.186 -5.187 -6.133 1.00 0.00 N ATOM 192 CA ARG A 28 -1.809 -3.926 -5.749 1.00 0.00 C ATOM 193 C ARG A 28 -2.440 -4.025 -4.363 1.00 0.00 C ATOM 194 O ARG A 28 -3.324 -4.849 -4.130 1.00 0.00 O ATOM 195 CB ARG A 28 -2.867 -3.520 -6.777 1.00 0.00 C ATOM 196 CG ARG A 28 -4.037 -4.485 -6.860 1.00 0.00 C ATOM 197 CD ARG A 28 -4.705 -4.434 -8.225 1.00 0.00 C ATOM 198 NE ARG A 28 -4.215 -5.488 -9.112 1.00 0.00 N ATOM 199 CZ ARG A 28 -4.629 -6.752 -9.062 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.537 -7.125 -8.168 1.00 0.00 N ATOM 201 NH2 ARG A 28 -4.134 -7.645 -9.907 1.00 0.00 N ATOM 0 H ARG A 28 -1.814 -5.844 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.031 -3.163 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.242 -2.528 -6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.398 -3.445 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.689 -5.499 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.766 -4.242 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.784 -4.533 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.523 -3.461 -8.682 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.514 -5.240 -9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.921 -6.442 -7.515 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.851 -8.095 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.436 -7.364 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.451 -8.614 -9.869 1.00 0.00 H new ATOM 215 N VAL A 29 -1.979 -3.179 -3.448 1.00 0.00 N ATOM 216 CA VAL A 29 -2.497 -3.167 -2.085 1.00 0.00 C ATOM 217 C VAL A 29 -3.088 -1.804 -1.737 1.00 0.00 C ATOM 218 O VAL A 29 -2.523 -0.766 -2.082 1.00 0.00 O ATOM 219 CB VAL A 29 -1.399 -3.516 -1.061 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.991 -3.651 0.334 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.674 -4.789 -1.466 1.00 0.00 C ATOM 0 H VAL A 29 -1.247 -2.492 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.279 -3.924 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.673 -2.703 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.200 -3.898 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.457 -2.709 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.740 -4.443 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.097 -5.018 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.386 -5.613 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.213 -4.650 -2.444 1.00 0.00 H new ATOM 231 N ASP A 30 -4.228 -1.814 -1.055 1.00 0.00 N ATOM 232 CA ASP A 30 -4.896 -0.579 -0.662 1.00 0.00 C ATOM 233 C ASP A 30 -4.429 -0.119 0.716 1.00 0.00 C ATOM 234 O ASP A 30 -4.197 -0.935 1.609 1.00 0.00 O ATOM 235 CB ASP A 30 -6.412 -0.772 -0.661 1.00 0.00 C ATOM 236 CG ASP A 30 -7.047 -0.383 -1.982 1.00 0.00 C ATOM 237 OD1 ASP A 30 -7.007 0.816 -2.329 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.582 -1.277 -2.670 1.00 0.00 O ATOM 0 H ASP A 30 -4.709 -2.665 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.635 0.191 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.642 -1.815 -0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.851 -0.176 0.139 1.00 0.00 H new ATOM 243 N VAL A 31 -4.293 1.192 0.882 1.00 0.00 N ATOM 244 CA VAL A 31 -3.855 1.764 2.151 1.00 0.00 C ATOM 245 C VAL A 31 -4.610 3.060 2.453 1.00 0.00 C ATOM 246 O VAL A 31 -4.214 4.135 2.004 1.00 0.00 O ATOM 247 CB VAL A 31 -2.335 2.051 2.164 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.635 1.179 3.197 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.721 1.846 0.785 1.00 0.00 C ATOM 0 H VAL A 31 -4.480 1.880 0.153 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.074 1.022 2.919 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.195 3.096 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.567 1.395 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.042 1.388 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.794 0.128 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.652 2.056 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.876 0.815 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.195 2.521 0.072 1.00 0.00 H new ATOM 259 N PRO A 32 -5.716 2.971 3.213 1.00 0.00 N ATOM 260 CA PRO A 32 -6.525 4.138 3.569 1.00 0.00 C ATOM 261 C PRO A 32 -5.915 4.951 4.706 1.00 0.00 C ATOM 262 O PRO A 32 -5.080 4.453 5.461 1.00 0.00 O ATOM 263 CB PRO A 32 -7.848 3.515 4.008 1.00 0.00 C ATOM 264 CG PRO A 32 -7.465 2.190 4.573 1.00 0.00 C ATOM 265 CD PRO A 32 -6.265 1.725 3.785 1.00 0.00 C ATOM 0 HA PRO A 32 -6.615 4.842 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.351 4.133 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.534 3.405 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.225 2.274 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.286 1.478 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.538 1.223 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.548 1.017 3.006 1.00 0.00 H new ATOM 273 N CYS A 33 -6.341 6.206 4.822 1.00 0.00 N ATOM 274 CA CYS A 33 -5.843 7.090 5.869 1.00 0.00 C ATOM 275 C CYS A 33 -6.998 7.744 6.618 1.00 0.00 C ATOM 276 O CYS A 33 -7.912 8.302 6.008 1.00 0.00 O ATOM 277 CB CYS A 33 -4.929 8.162 5.271 1.00 0.00 C ATOM 278 SG CYS A 33 -3.439 8.485 6.244 1.00 0.00 S ATOM 0 H CYS A 33 -7.030 6.633 4.203 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.268 6.491 6.576 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.635 7.856 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.492 9.090 5.169 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.431 7.857 5.715 1.00 0.00 H new ATOM 284 N GLY A 34 -6.958 7.664 7.944 1.00 0.00 N ATOM 285 CA GLY A 34 -8.011 8.244 8.757 1.00 0.00 C ATOM 286 C GLY A 34 -7.898 9.751 8.887 1.00 0.00 C ATOM 287 O GLY A 34 -8.903 10.460 8.837 1.00 0.00 O ATOM 0 H GLY A 34 -6.214 7.207 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.978 7.994 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.984 7.796 9.750 1.00 0.00 H new ATOM 291 N ASP A 35 -6.676 10.245 9.062 1.00 0.00 N ATOM 292 CA ASP A 35 -6.449 11.678 9.207 1.00 0.00 C ATOM 293 C ASP A 35 -5.695 12.241 8.007 1.00 0.00 C ATOM 294 O ASP A 35 -5.905 13.388 7.612 1.00 0.00 O ATOM 295 CB ASP A 35 -5.670 11.964 10.492 1.00 0.00 C ATOM 296 CG ASP A 35 -6.547 11.899 11.727 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.163 10.838 11.962 1.00 0.00 O ATOM 298 OD2 ASP A 35 -6.619 12.910 12.457 1.00 0.00 O ATOM 0 H ASP A 35 -5.831 9.676 9.107 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.422 12.167 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.857 11.244 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.214 12.952 10.425 1.00 0.00 H new ATOM 303 N GLY A 36 -4.813 11.431 7.434 1.00 0.00 N ATOM 304 CA GLY A 36 -4.038 11.873 6.291 1.00 0.00 C ATOM 305 C GLY A 36 -2.674 12.412 6.685 1.00 0.00 C ATOM 306 O GLY A 36 -1.893 12.825 5.828 1.00 0.00 O ATOM 0 H GLY A 36 -4.621 10.477 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.910 11.040 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.591 12.647 5.759 1.00 0.00 H new ATOM 310 N ARG A 37 -2.386 12.406 7.984 1.00 0.00 N ATOM 311 CA ARG A 37 -1.109 12.896 8.487 1.00 0.00 C ATOM 312 C ARG A 37 -0.116 11.749 8.651 1.00 0.00 C ATOM 313 O ARG A 37 0.582 11.653 9.661 1.00 0.00 O ATOM 314 CB ARG A 37 -1.309 13.619 9.821 1.00 0.00 C ATOM 315 CG ARG A 37 -1.422 15.129 9.684 1.00 0.00 C ATOM 316 CD ARG A 37 -0.497 15.852 10.650 1.00 0.00 C ATOM 317 NE ARG A 37 -0.279 17.243 10.263 1.00 0.00 N ATOM 318 CZ ARG A 37 0.738 17.984 10.700 1.00 0.00 C ATOM 319 NH1 ARG A 37 1.629 17.471 11.539 1.00 0.00 N ATOM 320 NH2 ARG A 37 0.863 19.240 10.297 1.00 0.00 N ATOM 0 H ARG A 37 -3.021 12.067 8.706 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.701 13.600 7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.211 13.238 10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.474 13.384 10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.181 15.421 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.452 15.435 9.868 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.922 15.817 11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.461 15.333 10.692 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.945 17.672 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.537 16.505 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.406 18.043 11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.181 19.639 9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.642 19.808 10.631 1.00 0.00 H new ATOM 334 N MET A 38 -0.057 10.880 7.647 1.00 0.00 N ATOM 335 CA MET A 38 0.849 9.737 7.675 1.00 0.00 C ATOM 336 C MET A 38 1.904 9.858 6.582 1.00 0.00 C ATOM 337 O MET A 38 1.607 9.695 5.398 1.00 0.00 O ATOM 338 CB MET A 38 0.065 8.434 7.504 1.00 0.00 C ATOM 339 CG MET A 38 0.491 7.336 8.465 1.00 0.00 C ATOM 340 SD MET A 38 -0.905 6.387 9.101 1.00 0.00 S ATOM 341 CE MET A 38 -1.384 5.469 7.641 1.00 0.00 C ATOM 0 H MET A 38 -0.626 10.946 6.803 1.00 0.00 H new ATOM 0 HA MET A 38 1.352 9.724 8.642 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.996 8.637 7.646 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.188 8.078 6.481 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.182 6.663 7.958 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.034 7.780 9.300 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.238 4.833 7.875 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.656 6.164 6.847 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.550 4.849 7.311 1.00 0.00 H new ATOM 351 N LYS A 39 3.137 10.146 6.984 1.00 0.00 N ATOM 352 CA LYS A 39 4.236 10.290 6.038 1.00 0.00 C ATOM 353 C LYS A 39 4.346 9.064 5.134 1.00 0.00 C ATOM 354 O LYS A 39 3.853 7.986 5.469 1.00 0.00 O ATOM 355 CB LYS A 39 5.554 10.506 6.783 1.00 0.00 C ATOM 356 CG LYS A 39 5.750 11.933 7.271 1.00 0.00 C ATOM 357 CD LYS A 39 7.157 12.436 6.983 1.00 0.00 C ATOM 358 CE LYS A 39 7.736 13.185 8.172 1.00 0.00 C ATOM 359 NZ LYS A 39 8.893 14.039 7.782 1.00 0.00 N ATOM 0 H LYS A 39 3.400 10.284 7.960 1.00 0.00 H new ATOM 0 HA LYS A 39 4.030 11.160 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.594 9.830 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.381 10.239 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.024 12.586 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.558 11.981 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.802 11.593 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.139 13.092 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.962 13.806 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.052 12.470 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.259 14.533 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.643 13.443 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.586 14.738 7.076 1.00 0.00 H new ATOM 373 N VAL A 40 4.996 9.237 3.988 1.00 0.00 N ATOM 374 CA VAL A 40 5.171 8.144 3.037 1.00 0.00 C ATOM 375 C VAL A 40 5.751 6.911 3.721 1.00 0.00 C ATOM 376 O VAL A 40 5.201 5.819 3.624 1.00 0.00 O ATOM 377 CB VAL A 40 6.097 8.553 1.876 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.174 7.447 0.831 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.629 9.860 1.251 1.00 0.00 C ATOM 0 H VAL A 40 5.410 10.122 3.695 1.00 0.00 H new ATOM 0 HA VAL A 40 4.184 7.908 2.640 1.00 0.00 H new ATOM 0 HB VAL A 40 7.099 8.708 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.833 7.758 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.566 6.539 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.178 7.252 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.296 10.132 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.616 9.738 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.639 10.648 2.004 1.00 0.00 H new ATOM 389 N PHE A 41 6.862 7.093 4.422 1.00 0.00 N ATOM 390 CA PHE A 41 7.507 5.989 5.122 1.00 0.00 C ATOM 391 C PHE A 41 6.495 5.213 5.962 1.00 0.00 C ATOM 392 O PHE A 41 6.651 4.013 6.192 1.00 0.00 O ATOM 393 CB PHE A 41 8.637 6.513 6.008 1.00 0.00 C ATOM 394 CG PHE A 41 9.433 5.428 6.675 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.462 4.789 6.000 1.00 0.00 C ATOM 396 CD2 PHE A 41 9.154 5.046 7.978 1.00 0.00 C ATOM 397 CE1 PHE A 41 11.196 3.791 6.611 1.00 0.00 C ATOM 398 CE2 PHE A 41 9.885 4.048 8.595 1.00 0.00 C ATOM 399 CZ PHE A 41 10.907 3.420 7.909 1.00 0.00 C ATOM 0 H PHE A 41 7.335 7.991 4.521 1.00 0.00 H new ATOM 0 HA PHE A 41 7.926 5.311 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.307 7.124 5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.215 7.164 6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.692 5.075 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.356 5.534 8.518 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.995 3.302 6.074 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.658 3.760 9.611 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.479 2.639 8.388 1.00 0.00 H new ATOM 409 N SER A 42 5.456 5.909 6.417 1.00 0.00 N ATOM 410 CA SER A 42 4.418 5.290 7.231 1.00 0.00 C ATOM 411 C SER A 42 3.478 4.436 6.381 1.00 0.00 C ATOM 412 O SER A 42 3.137 3.312 6.758 1.00 0.00 O ATOM 413 CB SER A 42 3.619 6.361 7.972 1.00 0.00 C ATOM 414 OG SER A 42 4.478 7.263 8.646 1.00 0.00 O ATOM 0 H SER A 42 5.312 6.902 6.235 1.00 0.00 H new ATOM 0 HA SER A 42 4.907 4.638 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.995 6.908 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.949 5.888 8.689 1.00 0.00 H new ATOM 0 HG SER A 42 3.942 7.939 9.111 1.00 0.00 H new ATOM 420 N LEU A 43 3.053 4.967 5.235 1.00 0.00 N ATOM 421 CA LEU A 43 2.147 4.234 4.356 1.00 0.00 C ATOM 422 C LEU A 43 2.876 3.099 3.649 1.00 0.00 C ATOM 423 O LEU A 43 2.302 2.035 3.415 1.00 0.00 O ATOM 424 CB LEU A 43 1.492 5.172 3.336 1.00 0.00 C ATOM 425 CG LEU A 43 2.453 5.995 2.480 1.00 0.00 C ATOM 426 CD1 LEU A 43 2.905 5.201 1.264 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.795 7.299 2.052 1.00 0.00 C ATOM 0 H LEU A 43 3.319 5.892 4.897 1.00 0.00 H new ATOM 0 HA LEU A 43 1.360 3.802 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.864 4.577 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.833 5.857 3.870 1.00 0.00 H new ATOM 0 HG LEU A 43 3.333 6.230 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.589 5.806 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.413 4.294 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.037 4.934 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.491 7.875 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.899 7.081 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.523 7.876 2.936 1.00 0.00 H new ATOM 439 N ILE A 44 4.145 3.320 3.319 1.00 0.00 N ATOM 440 CA ILE A 44 4.937 2.299 2.655 1.00 0.00 C ATOM 441 C ILE A 44 5.161 1.113 3.583 1.00 0.00 C ATOM 442 O ILE A 44 4.957 -0.034 3.197 1.00 0.00 O ATOM 443 CB ILE A 44 6.298 2.848 2.191 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.089 4.107 1.343 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.058 1.782 1.414 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.286 4.493 0.500 1.00 0.00 C ATOM 0 H ILE A 44 4.641 4.192 3.501 1.00 0.00 H new ATOM 0 HA ILE A 44 4.379 1.977 1.776 1.00 0.00 H new ATOM 0 HB ILE A 44 6.894 3.117 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.232 3.952 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.840 4.938 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.019 2.183 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.223 0.914 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.477 1.485 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.055 5.394 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.142 4.683 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.524 3.681 -0.187 1.00 0.00 H new ATOM 458 N GLN A 45 5.570 1.401 4.815 1.00 0.00 N ATOM 459 CA GLN A 45 5.808 0.355 5.803 1.00 0.00 C ATOM 460 C GLN A 45 4.549 -0.472 6.020 1.00 0.00 C ATOM 461 O GLN A 45 4.597 -1.702 6.042 1.00 0.00 O ATOM 462 CB GLN A 45 6.272 0.965 7.128 1.00 0.00 C ATOM 463 CG GLN A 45 7.781 1.110 7.235 1.00 0.00 C ATOM 464 CD GLN A 45 8.426 -0.041 7.980 1.00 0.00 C ATOM 465 OE1 GLN A 45 7.936 -0.475 9.021 1.00 0.00 O ATOM 466 NE2 GLN A 45 9.535 -0.542 7.447 1.00 0.00 N ATOM 0 H GLN A 45 5.743 2.348 5.152 1.00 0.00 H new ATOM 0 HA GLN A 45 6.594 -0.299 5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.812 1.946 7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.916 0.343 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.208 1.175 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.017 2.045 7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.907 -0.151 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.015 -1.318 7.903 1.00 0.00 H new ATOM 475 N GLN A 46 3.419 0.210 6.169 1.00 0.00 N ATOM 476 CA GLN A 46 2.145 -0.468 6.372 1.00 0.00 C ATOM 477 C GLN A 46 1.810 -1.335 5.165 1.00 0.00 C ATOM 478 O GLN A 46 1.267 -2.431 5.303 1.00 0.00 O ATOM 479 CB GLN A 46 1.030 0.553 6.608 1.00 0.00 C ATOM 480 CG GLN A 46 0.801 0.873 8.076 1.00 0.00 C ATOM 481 CD GLN A 46 1.992 1.555 8.718 1.00 0.00 C ATOM 482 OE1 GLN A 46 2.002 2.772 8.898 1.00 0.00 O ATOM 483 NE2 GLN A 46 3.005 0.771 9.067 1.00 0.00 N ATOM 0 H GLN A 46 3.359 1.228 6.153 1.00 0.00 H new ATOM 0 HA GLN A 46 2.229 -1.106 7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.273 1.474 6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.103 0.173 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.075 1.515 8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.581 -0.049 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.954 -0.234 8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.834 1.173 9.503 1.00 0.00 H new ATOM 492 N ALA A 47 2.149 -0.837 3.980 1.00 0.00 N ATOM 493 CA ALA A 47 1.896 -1.564 2.744 1.00 0.00 C ATOM 494 C ALA A 47 2.847 -2.748 2.607 1.00 0.00 C ATOM 495 O ALA A 47 2.463 -3.814 2.128 1.00 0.00 O ATOM 496 CB ALA A 47 2.028 -0.633 1.547 1.00 0.00 C ATOM 0 H ALA A 47 2.600 0.069 3.851 1.00 0.00 H new ATOM 0 HA ALA A 47 0.877 -1.949 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.836 -1.190 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.306 0.179 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.036 -0.220 1.517 1.00 0.00 H new ATOM 502 N VAL A 48 4.089 -2.553 3.042 1.00 0.00 N ATOM 503 CA VAL A 48 5.094 -3.605 2.978 1.00 0.00 C ATOM 504 C VAL A 48 4.639 -4.821 3.776 1.00 0.00 C ATOM 505 O VAL A 48 4.570 -5.935 3.253 1.00 0.00 O ATOM 506 CB VAL A 48 6.454 -3.117 3.521 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.502 -4.218 3.419 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.908 -1.870 2.778 1.00 0.00 C ATOM 0 H VAL A 48 4.422 -1.676 3.442 1.00 0.00 H new ATOM 0 HA VAL A 48 5.217 -3.879 1.930 1.00 0.00 H new ATOM 0 HB VAL A 48 6.332 -2.863 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.453 -3.852 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.180 -5.082 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.624 -4.509 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.868 -1.540 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.011 -2.096 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.170 -1.079 2.910 1.00 0.00 H new ATOM 518 N THR A 49 4.317 -4.596 5.043 1.00 0.00 N ATOM 519 CA THR A 49 3.851 -5.669 5.915 1.00 0.00 C ATOM 520 C THR A 49 2.603 -6.323 5.331 1.00 0.00 C ATOM 521 O THR A 49 2.482 -7.549 5.307 1.00 0.00 O ATOM 522 CB THR A 49 3.555 -5.127 7.315 1.00 0.00 C ATOM 523 OG1 THR A 49 4.715 -4.547 7.884 1.00 0.00 O ATOM 524 CG2 THR A 49 3.053 -6.185 8.273 1.00 0.00 C ATOM 0 H THR A 49 4.369 -3.681 5.491 1.00 0.00 H new ATOM 0 HA THR A 49 4.638 -6.420 5.990 1.00 0.00 H new ATOM 0 HB THR A 49 2.770 -4.384 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.505 -4.205 8.778 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.863 -5.733 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.130 -6.617 7.887 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.804 -6.968 8.377 1.00 0.00 H new ATOM 532 N ARG A 50 1.680 -5.493 4.851 1.00 0.00 N ATOM 533 CA ARG A 50 0.444 -5.987 4.259 1.00 0.00 C ATOM 534 C ARG A 50 0.742 -6.849 3.037 1.00 0.00 C ATOM 535 O ARG A 50 0.056 -7.839 2.782 1.00 0.00 O ATOM 536 CB ARG A 50 -0.465 -4.816 3.870 1.00 0.00 C ATOM 537 CG ARG A 50 -1.838 -4.872 4.521 1.00 0.00 C ATOM 538 CD ARG A 50 -1.751 -4.647 6.022 1.00 0.00 C ATOM 539 NE ARG A 50 -2.843 -3.810 6.514 1.00 0.00 N ATOM 540 CZ ARG A 50 -4.100 -4.229 6.643 1.00 0.00 C ATOM 541 NH1 ARG A 50 -4.428 -5.473 6.315 1.00 0.00 N ATOM 542 NH2 ARG A 50 -5.031 -3.402 7.099 1.00 0.00 N ATOM 0 H ARG A 50 1.766 -4.477 4.861 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.070 -6.600 4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.022 -3.881 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.585 -4.804 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.485 -4.116 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.297 -5.841 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.772 -5.609 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.797 -4.178 6.264 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.629 -2.847 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.716 -6.112 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.392 -5.790 6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.784 -2.445 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.994 -3.723 7.198 1.00 0.00 H new ATOM 556 N TYR A 51 1.773 -6.470 2.287 1.00 0.00 N ATOM 557 CA TYR A 51 2.163 -7.216 1.096 1.00 0.00 C ATOM 558 C TYR A 51 2.528 -8.650 1.467 1.00 0.00 C ATOM 559 O TYR A 51 1.927 -9.601 0.968 1.00 0.00 O ATOM 560 CB TYR A 51 3.343 -6.525 0.403 1.00 0.00 C ATOM 561 CG TYR A 51 3.999 -7.354 -0.680 1.00 0.00 C ATOM 562 CD1 TYR A 51 5.034 -8.229 -0.378 1.00 0.00 C ATOM 563 CD2 TYR A 51 3.585 -7.259 -2.003 1.00 0.00 C ATOM 564 CE1 TYR A 51 5.639 -8.987 -1.362 1.00 0.00 C ATOM 565 CE2 TYR A 51 4.185 -8.014 -2.992 1.00 0.00 C ATOM 566 CZ TYR A 51 5.211 -8.877 -2.667 1.00 0.00 C ATOM 567 OH TYR A 51 5.810 -9.628 -3.650 1.00 0.00 O ATOM 0 H TYR A 51 2.352 -5.653 2.483 1.00 0.00 H new ATOM 0 HA TYR A 51 1.320 -7.241 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.996 -5.588 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.092 -6.270 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.372 -8.319 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.782 -6.585 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.443 -9.662 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.852 -7.929 -4.016 1.00 0.00 H new ATOM 0 HH TYR A 51 6.759 -9.391 -3.710 1.00 0.00 H new ATOM 577 N ARG A 52 3.507 -8.797 2.358 1.00 0.00 N ATOM 578 CA ARG A 52 3.943 -10.114 2.807 1.00 0.00 C ATOM 579 C ARG A 52 2.746 -10.967 3.220 1.00 0.00 C ATOM 580 O ARG A 52 2.655 -12.142 2.868 1.00 0.00 O ATOM 581 CB ARG A 52 4.918 -9.978 3.981 1.00 0.00 C ATOM 582 CG ARG A 52 6.374 -10.178 3.591 1.00 0.00 C ATOM 583 CD ARG A 52 7.310 -9.811 4.732 1.00 0.00 C ATOM 584 NE ARG A 52 7.280 -8.381 5.028 1.00 0.00 N ATOM 585 CZ ARG A 52 7.759 -7.845 6.149 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.304 -8.617 7.082 1.00 0.00 N ATOM 587 NH2 ARG A 52 7.693 -6.534 6.338 1.00 0.00 N ATOM 0 H ARG A 52 4.012 -8.019 2.782 1.00 0.00 H new ATOM 0 HA ARG A 52 4.451 -10.607 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.802 -8.989 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.653 -10.705 4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.536 -11.217 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.605 -9.568 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.031 -10.372 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.327 -10.107 4.475 1.00 0.00 H new ATOM 0 HE ARG A 52 6.868 -7.756 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.357 -9.626 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.669 -8.201 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.275 -5.936 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.060 -6.123 7.197 1.00 0.00 H new ATOM 601 N LYS A 53 1.824 -10.359 3.962 1.00 0.00 N ATOM 602 CA LYS A 53 0.627 -11.057 4.416 1.00 0.00 C ATOM 603 C LYS A 53 -0.275 -11.401 3.233 1.00 0.00 C ATOM 604 O LYS A 53 -1.012 -12.385 3.269 1.00 0.00 O ATOM 605 CB LYS A 53 -0.136 -10.201 5.429 1.00 0.00 C ATOM 606 CG LYS A 53 0.020 -10.674 6.866 1.00 0.00 C ATOM 607 CD LYS A 53 1.433 -10.441 7.377 1.00 0.00 C ATOM 608 CE LYS A 53 2.362 -11.583 6.993 1.00 0.00 C ATOM 609 NZ LYS A 53 3.195 -12.031 8.144 1.00 0.00 N ATOM 0 H LYS A 53 1.884 -9.386 4.261 1.00 0.00 H new ATOM 0 HA LYS A 53 0.933 -11.984 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.210 -9.170 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.194 -10.201 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.690 -10.147 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.221 -11.735 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.818 -9.506 6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.415 -10.334 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.773 -12.422 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.011 -11.265 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.740 -12.874 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.849 -11.270 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.579 -12.263 8.949 1.00 0.00 H new ATOM 623 N ALA A 54 -0.210 -10.582 2.187 1.00 0.00 N ATOM 624 CA ALA A 54 -1.019 -10.801 0.994 1.00 0.00 C ATOM 625 C ALA A 54 -0.410 -11.886 0.112 1.00 0.00 C ATOM 626 O ALA A 54 -1.124 -12.598 -0.596 1.00 0.00 O ATOM 627 CB ALA A 54 -1.168 -9.503 0.214 1.00 0.00 C ATOM 0 H ALA A 54 0.394 -9.762 2.142 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.007 -11.138 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.774 -9.680 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.653 -8.755 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.183 -9.143 -0.084 1.00 0.00 H new ATOM 633 N VAL A 55 0.912 -12.010 0.161 1.00 0.00 N ATOM 634 CA VAL A 55 1.617 -13.012 -0.632 1.00 0.00 C ATOM 635 C VAL A 55 1.941 -14.250 0.201 1.00 0.00 C ATOM 636 O VAL A 55 2.798 -15.051 -0.170 1.00 0.00 O ATOM 637 CB VAL A 55 2.926 -12.458 -1.236 1.00 0.00 C ATOM 638 CG1 VAL A 55 2.655 -11.793 -2.575 1.00 0.00 C ATOM 639 CG2 VAL A 55 3.603 -11.486 -0.279 1.00 0.00 C ATOM 0 H VAL A 55 1.517 -11.429 0.741 1.00 0.00 H new ATOM 0 HA VAL A 55 0.945 -13.285 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 55 3.605 -13.295 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.589 -11.408 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.229 -12.522 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.953 -10.970 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.522 -11.112 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.933 -10.651 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.839 -11.999 0.653 1.00 0.00 H new ATOM 649 N ALA A 56 1.247 -14.404 1.329 1.00 0.00 N ATOM 650 CA ALA A 56 1.459 -15.546 2.211 1.00 0.00 C ATOM 651 C ALA A 56 2.938 -15.727 2.544 1.00 0.00 C ATOM 652 O ALA A 56 3.393 -16.841 2.798 1.00 0.00 O ATOM 653 CB ALA A 56 0.901 -16.811 1.577 1.00 0.00 C ATOM 0 H ALA A 56 0.533 -13.750 1.651 1.00 0.00 H new ATOM 0 HA ALA A 56 0.929 -15.352 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.066 -17.656 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.168 -16.689 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.405 -16.995 0.628 1.00 0.00 H new ATOM 659 N LYS A 57 3.681 -14.625 2.538 1.00 0.00 N ATOM 660 CA LYS A 57 5.107 -14.667 2.841 1.00 0.00 C ATOM 661 C LYS A 57 5.365 -14.360 4.311 1.00 0.00 C ATOM 662 O LYS A 57 4.433 -14.251 5.109 1.00 0.00 O ATOM 663 CB LYS A 57 5.868 -13.675 1.962 1.00 0.00 C ATOM 664 CG LYS A 57 6.303 -14.255 0.629 1.00 0.00 C ATOM 665 CD LYS A 57 6.465 -13.168 -0.417 1.00 0.00 C ATOM 666 CE LYS A 57 7.662 -13.427 -1.316 1.00 0.00 C ATOM 667 NZ LYS A 57 7.918 -12.292 -2.245 1.00 0.00 N ATOM 0 H LYS A 57 3.321 -13.694 2.327 1.00 0.00 H new ATOM 0 HA LYS A 57 5.463 -15.676 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.238 -12.804 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.748 -13.325 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.246 -14.788 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.567 -14.983 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.561 -13.108 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.582 -12.203 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.546 -13.599 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.492 -14.336 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.665 -12.556 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.046 -12.066 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.222 -11.459 -1.701 1.00 0.00 H new ATOM 681 N ASP A 58 6.638 -14.219 4.661 1.00 0.00 N ATOM 682 CA ASP A 58 7.033 -13.923 6.033 1.00 0.00 C ATOM 683 C ASP A 58 8.355 -13.156 6.054 1.00 0.00 C ATOM 684 O ASP A 58 9.000 -12.997 5.020 1.00 0.00 O ATOM 685 CB ASP A 58 7.156 -15.223 6.834 1.00 0.00 C ATOM 686 CG ASP A 58 6.037 -15.388 7.845 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.024 -14.667 7.734 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.177 -16.238 8.749 1.00 0.00 O ATOM 0 H ASP A 58 7.418 -14.305 4.010 1.00 0.00 H new ATOM 0 HA ASP A 58 6.267 -13.298 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.151 -16.071 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.115 -15.238 7.352 1.00 0.00 H new ATOM 693 N PRO A 59 8.780 -12.668 7.235 1.00 0.00 N ATOM 694 CA PRO A 59 10.034 -11.915 7.365 1.00 0.00 C ATOM 695 C PRO A 59 11.269 -12.766 7.074 1.00 0.00 C ATOM 696 O PRO A 59 12.382 -12.248 6.996 1.00 0.00 O ATOM 697 CB PRO A 59 10.033 -11.459 8.828 1.00 0.00 C ATOM 698 CG PRO A 59 9.132 -12.416 9.528 1.00 0.00 C ATOM 699 CD PRO A 59 8.080 -12.802 8.526 1.00 0.00 C ATOM 0 HA PRO A 59 10.083 -11.096 6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.038 -11.482 9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.671 -10.435 8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.683 -13.291 9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.683 -11.956 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.724 -13.820 8.687 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.210 -12.147 8.583 1.00 0.00 H new ATOM 707 N ASN A 60 11.071 -14.075 6.914 1.00 0.00 N ATOM 708 CA ASN A 60 12.172 -14.993 6.632 1.00 0.00 C ATOM 709 C ASN A 60 13.094 -14.442 5.546 1.00 0.00 C ATOM 710 O ASN A 60 14.318 -14.520 5.660 1.00 0.00 O ATOM 711 CB ASN A 60 11.628 -16.359 6.207 1.00 0.00 C ATOM 712 CG ASN A 60 10.813 -16.284 4.929 1.00 0.00 C ATOM 713 OD1 ASN A 60 11.362 -16.141 3.837 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.495 -16.380 5.062 1.00 0.00 N ATOM 0 H ASN A 60 10.157 -14.523 6.975 1.00 0.00 H new ATOM 0 HA ASN A 60 12.753 -15.104 7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.459 -17.050 6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.009 -16.765 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.895 -16.336 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.083 -16.498 5.988 1.00 0.00 H new ATOM 721 N TYR A 61 12.501 -13.883 4.498 1.00 0.00 N ATOM 722 CA TYR A 61 13.272 -13.314 3.398 1.00 0.00 C ATOM 723 C TYR A 61 13.426 -11.804 3.569 1.00 0.00 C ATOM 724 O TYR A 61 12.676 -11.179 4.320 1.00 0.00 O ATOM 725 CB TYR A 61 12.612 -13.643 2.052 1.00 0.00 C ATOM 726 CG TYR A 61 11.408 -12.787 1.722 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.223 -12.911 2.439 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.454 -11.859 0.691 1.00 0.00 C ATOM 729 CE1 TYR A 61 9.123 -12.132 2.136 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.358 -11.078 0.382 1.00 0.00 C ATOM 731 CZ TYR A 61 9.196 -11.217 1.108 1.00 0.00 C ATOM 732 OH TYR A 61 8.101 -10.444 0.803 1.00 0.00 O ATOM 0 H TYR A 61 11.490 -13.811 4.386 1.00 0.00 H new ATOM 0 HA TYR A 61 14.267 -13.760 3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.352 -13.529 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.309 -14.690 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.162 -13.627 3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.364 -11.746 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.210 -12.240 2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.412 -10.362 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 61 8.318 -9.850 0.054 1.00 0.00 H new ATOM 742 N TRP A 62 14.403 -11.223 2.879 1.00 0.00 N ATOM 743 CA TRP A 62 14.645 -9.788 2.969 1.00 0.00 C ATOM 744 C TRP A 62 13.792 -9.023 1.966 1.00 0.00 C ATOM 745 O TRP A 62 13.407 -9.563 0.925 1.00 0.00 O ATOM 746 CB TRP A 62 16.134 -9.481 2.746 1.00 0.00 C ATOM 747 CG TRP A 62 16.464 -9.063 1.342 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.218 -9.767 0.200 1.00 0.00 C ATOM 749 CD2 TRP A 62 17.088 -7.842 0.931 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.662 -9.069 -0.892 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.199 -7.882 -0.472 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.569 -6.720 1.612 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.768 -6.844 -1.205 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.132 -5.690 0.883 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.228 -5.759 -0.513 1.00 0.00 C ATOM 0 H TRP A 62 15.037 -11.721 2.254 1.00 0.00 H new ATOM 0 HA TRP A 62 14.364 -9.462 3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.439 -8.690 3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.719 -10.365 2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.742 -10.736 0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.602 -9.383 -1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.502 -6.659 2.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.843 -6.894 -2.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.504 -4.817 1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.675 -4.938 -1.054 1.00 0.00 H new ATOM 766 N ILE A 63 13.516 -7.761 2.284 1.00 0.00 N ATOM 767 CA ILE A 63 12.723 -6.903 1.415 1.00 0.00 C ATOM 768 C ILE A 63 13.250 -5.472 1.440 1.00 0.00 C ATOM 769 O ILE A 63 13.140 -4.776 2.449 1.00 0.00 O ATOM 770 CB ILE A 63 11.234 -6.903 1.822 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.661 -8.315 1.730 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.431 -5.944 0.949 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.247 -8.427 2.257 1.00 0.00 C ATOM 0 H ILE A 63 13.833 -7.310 3.142 1.00 0.00 H new ATOM 0 HA ILE A 63 12.809 -7.305 0.405 1.00 0.00 H new ATOM 0 HB ILE A 63 11.162 -6.562 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.679 -8.639 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.303 -8.997 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.385 -5.962 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.825 -4.934 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.509 -6.250 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.903 -9.457 2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.226 -8.134 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.592 -7.771 1.684 1.00 0.00 H new ATOM 785 N GLN A 64 13.816 -5.039 0.321 1.00 0.00 N ATOM 786 CA GLN A 64 14.357 -3.687 0.212 1.00 0.00 C ATOM 787 C GLN A 64 13.370 -2.768 -0.497 1.00 0.00 C ATOM 788 O GLN A 64 13.248 -2.798 -1.722 1.00 0.00 O ATOM 789 CB GLN A 64 15.688 -3.707 -0.542 1.00 0.00 C ATOM 790 CG GLN A 64 16.790 -2.921 0.150 1.00 0.00 C ATOM 791 CD GLN A 64 16.816 -1.464 -0.266 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.286 -1.124 -1.352 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.310 -0.592 0.598 1.00 0.00 N ATOM 0 H GLN A 64 13.913 -5.602 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 64 14.526 -3.304 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.012 -4.741 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.536 -3.301 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.653 -2.984 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.754 -3.377 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.930 -0.917 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.301 0.403 0.372 1.00 0.00 H new ATOM 802 N VAL A 65 12.667 -1.949 0.279 1.00 0.00 N ATOM 803 CA VAL A 65 11.690 -1.021 -0.278 1.00 0.00 C ATOM 804 C VAL A 65 12.373 0.235 -0.807 1.00 0.00 C ATOM 805 O VAL A 65 12.642 1.172 -0.056 1.00 0.00 O ATOM 806 CB VAL A 65 10.634 -0.617 0.773 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.461 0.090 0.112 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.154 -1.835 1.555 1.00 0.00 C ATOM 0 H VAL A 65 12.756 -1.909 1.294 1.00 0.00 H new ATOM 0 HA VAL A 65 11.192 -1.536 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 65 11.101 0.075 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.728 0.366 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.816 0.988 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.997 -0.577 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.410 -1.526 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.709 -2.555 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.999 -2.296 2.066 1.00 0.00 H new ATOM 818 N HIS A 66 12.656 0.247 -2.109 1.00 0.00 N ATOM 819 CA HIS A 66 13.313 1.389 -2.738 1.00 0.00 C ATOM 820 C HIS A 66 12.529 2.678 -2.503 1.00 0.00 C ATOM 821 O HIS A 66 12.896 3.496 -1.660 1.00 0.00 O ATOM 822 CB HIS A 66 13.487 1.143 -4.238 1.00 0.00 C ATOM 823 CG HIS A 66 14.370 -0.025 -4.553 1.00 0.00 C ATOM 824 ND1 HIS A 66 14.083 -1.228 -5.103 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.725 -0.033 -4.301 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 15.259 -1.935 -5.171 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 16.234 -1.192 -4.682 1.00 0.00 N flip ATOM 0 H HIS A 66 12.441 -0.520 -2.746 1.00 0.00 H new ATOM 0 HA HIS A 66 14.296 1.503 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.508 0.980 -4.687 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.904 2.038 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.283 0.780 -3.861 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.368 -2.936 -5.561 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.214 -1.466 -4.610 1.00 0.00 H new ATOM 836 N ARG A 67 11.449 2.855 -3.256 1.00 0.00 N ATOM 837 CA ARG A 67 10.616 4.047 -3.129 1.00 0.00 C ATOM 838 C ARG A 67 9.280 3.856 -3.844 1.00 0.00 C ATOM 839 O ARG A 67 9.002 2.787 -4.386 1.00 0.00 O ATOM 840 CB ARG A 67 11.344 5.264 -3.702 1.00 0.00 C ATOM 841 CG ARG A 67 11.982 5.006 -5.059 1.00 0.00 C ATOM 842 CD ARG A 67 11.452 5.960 -6.119 1.00 0.00 C ATOM 843 NE ARG A 67 11.631 5.431 -7.469 1.00 0.00 N ATOM 844 CZ ARG A 67 10.926 4.419 -7.967 1.00 0.00 C ATOM 845 NH1 ARG A 67 9.998 3.821 -7.230 1.00 0.00 N ATOM 846 NH2 ARG A 67 11.149 4.002 -9.205 1.00 0.00 N ATOM 0 H ARG A 67 11.129 2.190 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 67 10.420 4.213 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.639 6.090 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.116 5.579 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.064 5.115 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.786 3.978 -5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.393 6.148 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.965 6.918 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 67 12.338 5.863 -8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.822 4.137 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.461 3.045 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.861 4.457 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.608 3.226 -9.587 1.00 0.00 H new ATOM 860 N LEU A 68 8.455 4.900 -3.837 1.00 0.00 N ATOM 861 CA LEU A 68 7.150 4.842 -4.486 1.00 0.00 C ATOM 862 C LEU A 68 7.078 5.824 -5.652 1.00 0.00 C ATOM 863 O LEU A 68 7.701 6.886 -5.623 1.00 0.00 O ATOM 864 CB LEU A 68 6.041 5.146 -3.473 1.00 0.00 C ATOM 865 CG LEU A 68 5.204 3.939 -3.050 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.365 3.435 -4.214 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.100 2.831 -2.518 1.00 0.00 C ATOM 0 H LEU A 68 8.667 5.792 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 68 7.008 3.834 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.493 5.586 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.377 5.898 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 68 4.530 4.250 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.776 2.576 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.697 4.227 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.020 3.140 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.488 1.979 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.798 2.523 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.657 3.196 -1.655 1.00 0.00 H new ATOM 879 N GLU A 69 6.316 5.461 -6.678 1.00 0.00 N ATOM 880 CA GLU A 69 6.163 6.309 -7.855 1.00 0.00 C ATOM 881 C GLU A 69 4.694 6.433 -8.247 1.00 0.00 C ATOM 882 O GLU A 69 3.974 5.437 -8.316 1.00 0.00 O ATOM 883 CB GLU A 69 6.969 5.743 -9.026 1.00 0.00 C ATOM 884 CG GLU A 69 7.374 6.791 -10.049 1.00 0.00 C ATOM 885 CD GLU A 69 8.779 6.578 -10.576 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.955 5.725 -11.472 1.00 0.00 O ATOM 887 OE2 GLU A 69 9.704 7.266 -10.094 1.00 0.00 O ATOM 0 H GLU A 69 5.795 4.585 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 69 6.541 7.301 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.866 5.260 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.380 4.972 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.671 6.772 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.306 7.780 -9.597 1.00 0.00 H new ATOM 894 N HIS A 70 4.253 7.661 -8.498 1.00 0.00 N ATOM 895 CA HIS A 70 2.868 7.912 -8.879 1.00 0.00 C ATOM 896 C HIS A 70 2.499 7.142 -10.145 1.00 0.00 C ATOM 897 O HIS A 70 1.341 6.778 -10.345 1.00 0.00 O ATOM 898 CB HIS A 70 2.640 9.412 -9.092 1.00 0.00 C ATOM 899 CG HIS A 70 1.947 10.077 -7.943 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.688 9.716 -7.510 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.346 11.088 -7.134 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.342 10.476 -6.487 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.330 11.316 -6.237 1.00 0.00 N ATOM 0 H HIS A 70 4.834 8.498 -8.445 1.00 0.00 H new ATOM 0 HA HIS A 70 2.227 7.565 -8.069 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.601 9.898 -9.258 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.049 9.557 -9.996 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.114 8.977 -7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.287 11.616 -7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.591 10.420 -5.946 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.338 12.019 -5.498 1.00 0.00 H new ATOM 912 N GLY A 71 3.492 6.896 -10.995 1.00 0.00 N ATOM 913 CA GLY A 71 3.248 6.170 -12.226 1.00 0.00 C ATOM 914 C GLY A 71 4.078 6.690 -13.382 1.00 0.00 C ATOM 915 O GLY A 71 4.872 5.953 -13.967 1.00 0.00 O ATOM 0 H GLY A 71 4.459 7.187 -10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.469 5.114 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.191 6.240 -12.482 1.00 0.00 H new ATOM 919 N ASP A 72 3.897 7.965 -13.713 1.00 0.00 N ATOM 920 CA ASP A 72 4.636 8.584 -14.807 1.00 0.00 C ATOM 921 C ASP A 72 4.829 10.075 -14.556 1.00 0.00 C ATOM 922 O ASP A 72 4.858 10.874 -15.494 1.00 0.00 O ATOM 923 CB ASP A 72 3.904 8.363 -16.133 1.00 0.00 C ATOM 924 CG ASP A 72 4.749 7.614 -17.144 1.00 0.00 C ATOM 925 OD1 ASP A 72 5.735 8.197 -17.643 1.00 0.00 O ATOM 926 OD2 ASP A 72 4.427 6.442 -17.437 1.00 0.00 O ATOM 0 H ASP A 72 3.245 8.589 -13.239 1.00 0.00 H new ATOM 0 HA ASP A 72 5.619 8.116 -14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.985 7.806 -15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.614 9.328 -16.550 1.00 0.00 H new ATOM 931 N GLY A 73 4.962 10.445 -13.287 1.00 0.00 N ATOM 932 CA GLY A 73 5.149 11.840 -12.936 1.00 0.00 C ATOM 933 C GLY A 73 4.677 12.151 -11.530 1.00 0.00 C ATOM 934 O GLY A 73 3.592 12.703 -11.340 1.00 0.00 O ATOM 0 H GLY A 73 4.944 9.803 -12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.205 12.096 -13.027 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.607 12.466 -13.645 1.00 0.00 H new ATOM 938 N GLY A 74 5.490 11.796 -10.541 1.00 0.00 N ATOM 939 CA GLY A 74 5.132 12.049 -9.158 1.00 0.00 C ATOM 940 C GLY A 74 5.780 11.065 -8.204 1.00 0.00 C ATOM 941 O GLY A 74 5.092 10.310 -7.517 1.00 0.00 O ATOM 0 H GLY A 74 6.391 11.337 -10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.430 13.062 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.049 11.996 -9.050 1.00 0.00 H new ATOM 945 N ILE A 75 7.108 11.074 -8.160 1.00 0.00 N ATOM 946 CA ILE A 75 7.851 10.176 -7.284 1.00 0.00 C ATOM 947 C ILE A 75 7.474 10.399 -5.823 1.00 0.00 C ATOM 948 O ILE A 75 6.975 11.463 -5.456 1.00 0.00 O ATOM 949 CB ILE A 75 9.372 10.360 -7.446 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.753 10.350 -8.930 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.118 9.270 -6.688 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.246 10.353 -9.178 1.00 0.00 C ATOM 0 H ILE A 75 7.692 11.694 -8.721 1.00 0.00 H new ATOM 0 HA ILE A 75 7.585 9.160 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 75 9.657 11.325 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.318 9.469 -9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.312 11.221 -9.415 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.192 9.411 -6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.863 9.324 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.833 8.294 -7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.437 10.345 -10.251 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.686 11.248 -8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.692 9.468 -8.724 1.00 0.00 H new ATOM 964 N LEU A 76 7.713 9.387 -4.995 1.00 0.00 N ATOM 965 CA LEU A 76 7.396 9.473 -3.573 1.00 0.00 C ATOM 966 C LEU A 76 8.571 9.009 -2.720 1.00 0.00 C ATOM 967 O LEU A 76 9.025 7.870 -2.834 1.00 0.00 O ATOM 968 CB LEU A 76 6.157 8.633 -3.258 1.00 0.00 C ATOM 969 CG LEU A 76 4.873 9.088 -3.956 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.452 8.080 -5.017 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.756 9.294 -2.945 1.00 0.00 C ATOM 0 H LEU A 76 8.124 8.499 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 76 7.192 10.517 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.357 7.598 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.992 8.646 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 76 5.072 10.041 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.537 8.422 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.242 7.984 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.274 7.112 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.852 9.617 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.560 8.357 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.054 10.055 -2.224 1.00 0.00 H new ATOM 983 N ASP A 77 9.054 9.900 -1.858 1.00 0.00 N ATOM 984 CA ASP A 77 10.171 9.591 -0.976 1.00 0.00 C ATOM 985 C ASP A 77 9.666 9.180 0.404 1.00 0.00 C ATOM 986 O ASP A 77 8.463 9.043 0.615 1.00 0.00 O ATOM 987 CB ASP A 77 11.100 10.801 -0.855 1.00 0.00 C ATOM 988 CG ASP A 77 11.937 11.013 -2.101 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.757 10.127 -2.424 1.00 0.00 O ATOM 990 OD2 ASP A 77 11.773 12.065 -2.756 1.00 0.00 O ATOM 0 H ASP A 77 8.686 10.845 -1.753 1.00 0.00 H new ATOM 0 HA ASP A 77 10.728 8.758 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.506 11.694 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.758 10.666 0.003 1.00 0.00 H new ATOM 995 N LEU A 78 10.590 8.981 1.338 1.00 0.00 N ATOM 996 CA LEU A 78 10.232 8.584 2.694 1.00 0.00 C ATOM 997 C LEU A 78 10.347 9.763 3.655 1.00 0.00 C ATOM 998 O LEU A 78 10.706 9.593 4.821 1.00 0.00 O ATOM 999 CB LEU A 78 11.133 7.438 3.163 1.00 0.00 C ATOM 1000 CG LEU A 78 11.444 6.381 2.101 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.804 5.751 2.361 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.356 5.319 2.073 1.00 0.00 C ATOM 0 H LEU A 78 11.592 9.088 1.180 1.00 0.00 H new ATOM 0 HA LEU A 78 9.196 8.246 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.073 7.858 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.659 6.948 4.013 1.00 0.00 H new ATOM 0 HG LEU A 78 11.472 6.867 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.010 5.001 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.574 6.522 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.804 5.278 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.593 4.575 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.295 4.835 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.399 5.785 1.839 1.00 0.00 H new ATOM 1014 N ASP A 79 10.042 10.959 3.159 1.00 0.00 N ATOM 1015 CA ASP A 79 10.114 12.166 3.978 1.00 0.00 C ATOM 1016 C ASP A 79 9.097 13.207 3.517 1.00 0.00 C ATOM 1017 O ASP A 79 9.355 14.409 3.582 1.00 0.00 O ATOM 1018 CB ASP A 79 11.524 12.751 3.921 1.00 0.00 C ATOM 1019 CG ASP A 79 11.913 13.199 2.526 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.458 12.564 1.551 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.669 14.185 2.407 1.00 0.00 O ATOM 0 H ASP A 79 9.743 11.118 2.197 1.00 0.00 H new ATOM 0 HA ASP A 79 9.877 11.894 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.589 13.599 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.237 12.005 4.271 1.00 0.00 H new ATOM 1026 N ASP A 80 7.943 12.739 3.052 1.00 0.00 N ATOM 1027 CA ASP A 80 6.890 13.636 2.583 1.00 0.00 C ATOM 1028 C ASP A 80 5.517 13.147 3.034 1.00 0.00 C ATOM 1029 O ASP A 80 5.188 11.971 2.890 1.00 0.00 O ATOM 1030 CB ASP A 80 6.931 13.747 1.057 1.00 0.00 C ATOM 1031 CG ASP A 80 7.522 15.062 0.588 1.00 0.00 C ATOM 1032 OD1 ASP A 80 7.315 16.084 1.275 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.196 15.070 -0.464 1.00 0.00 O ATOM 0 H ASP A 80 7.713 11.747 2.990 1.00 0.00 H new ATOM 0 HA ASP A 80 7.064 14.621 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.518 12.923 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.921 13.644 0.661 1.00 0.00 H new ATOM 1038 N ILE A 81 4.718 14.058 3.582 1.00 0.00 N ATOM 1039 CA ILE A 81 3.384 13.719 4.054 1.00 0.00 C ATOM 1040 C ILE A 81 2.544 13.098 2.943 1.00 0.00 C ATOM 1041 O ILE A 81 2.779 13.337 1.761 1.00 0.00 O ATOM 1042 CB ILE A 81 2.674 14.965 4.617 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.327 15.363 5.934 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.182 14.711 4.812 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.094 14.356 7.039 1.00 0.00 C ATOM 0 H ILE A 81 4.974 15.037 3.709 1.00 0.00 H new ATOM 0 HA ILE A 81 3.494 12.984 4.851 1.00 0.00 H new ATOM 0 HB ILE A 81 2.775 15.780 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.399 15.483 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.940 16.333 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.709 15.609 5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.728 14.456 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.042 13.886 5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.584 14.697 7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.024 14.254 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.506 13.391 6.745 1.00 0.00 H new ATOM 1057 N LEU A 82 1.565 12.291 3.341 1.00 0.00 N ATOM 1058 CA LEU A 82 0.691 11.621 2.391 1.00 0.00 C ATOM 1059 C LEU A 82 -0.120 12.628 1.578 1.00 0.00 C ATOM 1060 O LEU A 82 -0.130 12.585 0.349 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.249 10.659 3.122 1.00 0.00 C ATOM 1062 CG LEU A 82 -1.325 10.007 2.250 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.694 9.057 1.243 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -2.338 9.273 3.115 1.00 0.00 C ATOM 0 H LEU A 82 1.359 12.086 4.319 1.00 0.00 H new ATOM 0 HA LEU A 82 1.318 11.055 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.349 9.872 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.739 11.201 3.931 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.845 10.792 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.475 8.603 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.007 9.610 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.148 8.276 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.096 8.815 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.831 8.498 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.814 9.978 3.796 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.804 13.529 2.274 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.625 14.543 1.618 1.00 0.00 C ATOM 1078 C CYS A 83 -0.771 15.553 0.849 1.00 0.00 C ATOM 1079 O CYS A 83 -1.297 16.353 0.076 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.482 15.273 2.651 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.858 14.292 3.295 1.00 0.00 S ATOM 0 H CYS A 83 -0.807 13.579 3.293 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.269 14.033 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.847 15.579 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.878 16.183 2.201 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.307 13.508 2.360 1.00 0.00 H new ATOM 1087 N ASP A 84 0.541 15.521 1.067 1.00 0.00 N ATOM 1088 CA ASP A 84 1.445 16.447 0.392 1.00 0.00 C ATOM 1089 C ASP A 84 2.099 15.805 -0.832 1.00 0.00 C ATOM 1090 O ASP A 84 2.549 16.506 -1.738 1.00 0.00 O ATOM 1091 CB ASP A 84 2.525 16.933 1.360 1.00 0.00 C ATOM 1092 CG ASP A 84 2.918 18.376 1.111 1.00 0.00 C ATOM 1093 OD1 ASP A 84 3.450 18.664 0.019 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.697 19.215 2.008 1.00 0.00 O ATOM 0 H ASP A 84 1.000 14.868 1.702 1.00 0.00 H new ATOM 0 HA ASP A 84 0.852 17.296 0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.165 16.829 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.406 16.298 1.266 1.00 0.00 H new ATOM 1099 N VAL A 85 2.158 14.477 -0.853 1.00 0.00 N ATOM 1100 CA VAL A 85 2.767 13.763 -1.972 1.00 0.00 C ATOM 1101 C VAL A 85 1.726 12.998 -2.785 1.00 0.00 C ATOM 1102 O VAL A 85 1.750 13.015 -4.015 1.00 0.00 O ATOM 1103 CB VAL A 85 3.854 12.783 -1.490 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.250 11.682 -0.630 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.604 12.191 -2.674 1.00 0.00 C ATOM 0 H VAL A 85 1.794 13.876 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 85 3.226 14.519 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 85 4.564 13.338 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.037 11.003 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.767 12.125 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.513 11.129 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.367 11.502 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.905 11.655 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.078 12.992 -3.242 1.00 0.00 H new ATOM 1115 N ALA A 86 0.822 12.322 -2.090 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.223 11.544 -2.745 1.00 0.00 C ATOM 1117 C ALA A 86 -1.553 12.289 -2.742 1.00 0.00 C ATOM 1118 O ALA A 86 -1.680 13.354 -2.138 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.374 10.191 -2.068 1.00 0.00 C ATOM 0 H ALA A 86 0.790 12.296 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 86 0.072 11.391 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.157 9.620 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.568 9.646 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.641 10.336 -1.021 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.542 11.717 -3.421 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.868 12.321 -3.502 1.00 0.00 C ATOM 1127 C ASP A 87 -4.946 11.305 -3.136 1.00 0.00 C ATOM 1128 O ASP A 87 -4.783 10.106 -3.361 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.118 12.868 -4.908 1.00 0.00 C ATOM 1130 CG ASP A 87 -3.874 11.828 -5.984 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -2.705 11.434 -6.176 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -4.854 11.407 -6.636 1.00 0.00 O ATOM 0 H ASP A 87 -2.450 10.834 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.912 13.145 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.145 13.226 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.469 13.726 -5.082 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.047 11.792 -2.571 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.153 10.927 -2.173 1.00 0.00 C ATOM 1139 C ASP A 88 -7.589 10.025 -3.325 1.00 0.00 C ATOM 1140 O ASP A 88 -7.880 10.501 -4.423 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.338 11.769 -1.695 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.031 11.164 -0.491 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.149 9.920 -0.438 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.454 11.930 0.398 1.00 0.00 O ATOM 0 H ASP A 88 -6.197 12.782 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.807 10.295 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.990 12.771 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.056 11.875 -2.508 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.628 8.722 -3.068 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.027 7.753 -4.083 1.00 0.00 C ATOM 1151 C LYS A 89 -7.070 7.787 -5.271 1.00 0.00 C ATOM 1152 O LYS A 89 -7.443 8.192 -6.372 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.455 8.034 -4.553 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.518 7.336 -3.719 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.774 5.920 -4.211 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.260 5.650 -4.389 1.00 0.00 C ATOM 1157 NZ LYS A 89 -12.938 5.388 -3.090 1.00 0.00 N ATOM 0 H LYS A 89 -7.388 8.312 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.989 6.759 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.632 9.109 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.555 7.720 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.203 7.308 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.445 7.908 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.259 5.765 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.356 5.206 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.728 6.505 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.396 4.793 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.949 5.209 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.509 4.556 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.830 6.215 -2.469 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.832 7.360 -5.040 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.822 7.342 -6.089 1.00 0.00 C ATOM 1173 C ASP A 90 -4.021 6.044 -6.055 1.00 0.00 C ATOM 1174 O ASP A 90 -3.887 5.413 -5.007 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.879 8.538 -5.940 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.116 8.837 -7.215 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.714 9.425 -8.140 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.920 8.482 -7.289 1.00 0.00 O ATOM 0 H ASP A 90 -5.506 7.022 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.334 7.407 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.455 9.417 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.172 8.341 -5.135 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.489 5.654 -7.209 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.699 4.434 -7.314 1.00 0.00 C ATOM 1185 C ARG A 91 -1.213 4.762 -7.412 1.00 0.00 C ATOM 1186 O ARG A 91 -0.829 5.779 -7.989 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.139 3.620 -8.533 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.581 3.142 -8.455 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.288 3.270 -9.796 1.00 0.00 C ATOM 1190 NE ARG A 91 -5.391 4.661 -10.232 1.00 0.00 N ATOM 1191 CZ ARG A 91 -4.568 5.234 -11.109 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -3.566 4.548 -11.645 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -4.746 6.502 -11.451 1.00 0.00 N ATOM 0 H ARG A 91 -3.591 6.166 -8.085 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.864 3.841 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.014 4.227 -9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.483 2.756 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.603 2.102 -8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.117 3.722 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.747 2.694 -10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.286 2.839 -9.722 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.141 5.230 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.420 3.572 -11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.942 4.997 -12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.512 7.038 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.117 6.942 -12.122 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.382 3.897 -6.841 1.00 0.00 N ATOM 1208 CA LEU A 92 1.062 4.103 -6.861 1.00 0.00 C ATOM 1209 C LEU A 92 1.801 2.800 -7.152 1.00 0.00 C ATOM 1210 O LEU A 92 1.310 1.713 -6.846 1.00 0.00 O ATOM 1211 CB LEU A 92 1.537 4.678 -5.524 1.00 0.00 C ATOM 1212 CG LEU A 92 0.610 5.719 -4.893 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.677 5.642 -3.376 1.00 0.00 C ATOM 1214 CD2 LEU A 92 0.973 7.117 -5.374 1.00 0.00 C ATOM 0 H LEU A 92 -0.682 3.049 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 92 1.286 4.812 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.666 3.856 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.518 5.130 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.412 5.503 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.012 6.389 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.369 4.649 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.699 5.832 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.304 7.845 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.002 7.343 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.874 7.166 -6.458 1.00 0.00 H new ATOM 1226 N VAL A 93 2.988 2.920 -7.738 1.00 0.00 N ATOM 1227 CA VAL A 93 3.806 1.758 -8.064 1.00 0.00 C ATOM 1228 C VAL A 93 5.013 1.676 -7.139 1.00 0.00 C ATOM 1229 O VAL A 93 5.937 2.484 -7.235 1.00 0.00 O ATOM 1230 CB VAL A 93 4.290 1.803 -9.526 1.00 0.00 C ATOM 1231 CG1 VAL A 93 4.988 0.505 -9.897 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.125 2.078 -10.465 1.00 0.00 C ATOM 0 H VAL A 93 3.406 3.814 -7.997 1.00 0.00 H new ATOM 0 HA VAL A 93 3.182 0.875 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 93 5.009 2.616 -9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.323 0.555 -10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.848 0.355 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.294 -0.328 -9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.485 2.106 -11.493 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.381 1.288 -10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.673 3.037 -10.213 1.00 0.00 H new ATOM 1242 N ALA A 94 4.996 0.704 -6.235 1.00 0.00 N ATOM 1243 CA ALA A 94 6.086 0.529 -5.282 1.00 0.00 C ATOM 1244 C ALA A 94 7.161 -0.412 -5.817 1.00 0.00 C ATOM 1245 O ALA A 94 6.867 -1.521 -6.266 1.00 0.00 O ATOM 1246 CB ALA A 94 5.548 0.014 -3.956 1.00 0.00 C ATOM 0 H ALA A 94 4.240 0.025 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 94 6.549 1.504 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.372 -0.112 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.832 0.730 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.054 -0.945 -4.112 1.00 0.00 H new ATOM 1252 N VAL A 95 8.409 0.041 -5.751 1.00 0.00 N ATOM 1253 CA VAL A 95 9.542 -0.752 -6.211 1.00 0.00 C ATOM 1254 C VAL A 95 10.398 -1.193 -5.029 1.00 0.00 C ATOM 1255 O VAL A 95 10.816 -0.371 -4.211 1.00 0.00 O ATOM 1256 CB VAL A 95 10.420 0.036 -7.202 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.491 -0.861 -7.801 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.563 0.657 -8.294 1.00 0.00 C ATOM 0 H VAL A 95 8.661 0.958 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 95 9.138 -1.626 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 95 10.917 0.839 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.100 -0.285 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.124 -1.254 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.018 -1.688 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.199 1.210 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.037 -0.129 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.838 1.336 -7.845 1.00 0.00 H new ATOM 1268 N PHE A 96 10.649 -2.493 -4.931 1.00 0.00 N ATOM 1269 CA PHE A 96 11.444 -3.028 -3.834 1.00 0.00 C ATOM 1270 C PHE A 96 12.199 -4.283 -4.254 1.00 0.00 C ATOM 1271 O PHE A 96 12.086 -4.743 -5.390 1.00 0.00 O ATOM 1272 CB PHE A 96 10.539 -3.349 -2.645 1.00 0.00 C ATOM 1273 CG PHE A 96 9.522 -4.413 -2.941 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.537 -4.198 -3.890 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.554 -5.628 -2.275 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.601 -5.175 -4.170 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.620 -6.609 -2.551 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.642 -6.380 -3.500 1.00 0.00 C ATOM 0 H PHE A 96 10.315 -3.192 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 96 12.174 -2.271 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.155 -3.669 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.024 -2.440 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.500 -3.256 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.317 -5.810 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.838 -4.995 -4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.655 -7.552 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.910 -7.144 -3.717 1.00 0.00 H new ATOM 1288 N ASP A 97 12.958 -4.838 -3.316 1.00 0.00 N ATOM 1289 CA ASP A 97 13.727 -6.050 -3.562 1.00 0.00 C ATOM 1290 C ASP A 97 13.216 -7.173 -2.669 1.00 0.00 C ATOM 1291 O ASP A 97 12.523 -6.920 -1.684 1.00 0.00 O ATOM 1292 CB ASP A 97 15.213 -5.801 -3.297 1.00 0.00 C ATOM 1293 CG ASP A 97 16.015 -5.679 -4.577 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.686 -6.384 -5.554 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.972 -4.876 -4.603 1.00 0.00 O ATOM 0 H ASP A 97 13.057 -4.464 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 97 13.606 -6.340 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.327 -4.889 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.614 -6.617 -2.696 1.00 0.00 H new ATOM 1300 N GLU A 98 13.550 -8.412 -3.012 1.00 0.00 N ATOM 1301 CA GLU A 98 13.104 -9.556 -2.224 1.00 0.00 C ATOM 1302 C GLU A 98 13.945 -10.794 -2.513 1.00 0.00 C ATOM 1303 O GLU A 98 14.216 -11.116 -3.670 1.00 0.00 O ATOM 1304 CB GLU A 98 11.633 -9.851 -2.514 1.00 0.00 C ATOM 1305 CG GLU A 98 11.289 -9.833 -3.994 1.00 0.00 C ATOM 1306 CD GLU A 98 9.828 -10.140 -4.258 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.492 -11.334 -4.415 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.020 -9.190 -4.308 1.00 0.00 O ATOM 0 H GLU A 98 14.122 -8.649 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 98 13.225 -9.303 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.379 -10.828 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.015 -9.117 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.531 -8.854 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.909 -10.561 -4.516 1.00 0.00 H new ATOM 1315 N GLN A 99 14.346 -11.493 -1.453 1.00 0.00 N ATOM 1316 CA GLN A 99 15.145 -12.706 -1.605 1.00 0.00 C ATOM 1317 C GLN A 99 14.281 -13.947 -1.405 1.00 0.00 C ATOM 1318 O GLN A 99 14.377 -14.627 -0.383 1.00 0.00 O ATOM 1319 CB GLN A 99 16.321 -12.723 -0.624 1.00 0.00 C ATOM 1320 CG GLN A 99 17.182 -13.974 -0.723 1.00 0.00 C ATOM 1321 CD GLN A 99 18.121 -14.129 0.456 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.330 -13.940 0.332 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.566 -14.478 1.612 1.00 0.00 N ATOM 0 H GLN A 99 14.133 -11.243 -0.487 1.00 0.00 H new ATOM 0 HA GLN A 99 15.545 -12.713 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.945 -11.848 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.936 -12.637 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.537 -14.850 -0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.764 -13.938 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.558 -14.625 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.148 -14.599 2.441 1.00 0.00 H new ATOM 1332 N ASP A 100 13.433 -14.231 -2.386 1.00 0.00 N ATOM 1333 CA ASP A 100 12.547 -15.388 -2.320 1.00 0.00 C ATOM 1334 C ASP A 100 13.338 -16.687 -2.442 1.00 0.00 C ATOM 1335 O ASP A 100 12.814 -17.739 -2.020 1.00 0.00 O ATOM 1336 CB ASP A 100 11.491 -15.311 -3.425 1.00 0.00 C ATOM 1337 CG ASP A 100 10.103 -15.660 -2.922 1.00 0.00 C ATOM 1338 OD1 ASP A 100 10.001 -16.293 -1.851 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.119 -15.299 -3.600 1.00 0.00 O ATOM 1340 OXT ASP A 100 14.473 -16.642 -2.961 1.00 0.00 O ATOM 0 H ASP A 100 13.340 -13.676 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 100 12.048 -15.379 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.480 -14.305 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.764 -15.990 -4.233 1.00 0.00 H new