USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 82 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 Single : A 5 SER OG : rot 115:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -0.0456 (180deg=-0.476) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -168:sc= -0.401 (180deg=-0.57) USER MOD Single : A 18 THR OG1 : rot -84:sc= 1.17 USER MOD Single : A 19 GLN :FLIP amide:sc= -5.83! C(o=-11!,f=-5.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0653) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc=-0.00883 (180deg=-0.225) USER MOD Single : A 30 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.4!) USER MOD Single : A 31 GLN : amide:sc= 0.934 K(o=0.93,f=-5.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 THR OG1 : rot -155:sc= -2.07! USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0635) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 3.486 5.308 0.398 1.00 0.00 N ATOM 29 CA LEU A 4 3.866 3.888 0.500 1.00 0.00 C ATOM 30 C LEU A 4 3.206 3.149 1.674 1.00 0.00 C ATOM 31 O LEU A 4 2.643 2.080 1.495 1.00 0.00 O ATOM 32 CB LEU A 4 5.385 3.786 0.610 1.00 0.00 C ATOM 33 CG LEU A 4 5.994 4.001 -0.778 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.219 4.905 -0.685 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.268 2.651 -1.455 1.00 0.00 C ATOM 0 HA LEU A 4 3.504 3.398 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.764 4.532 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.671 2.809 1.001 1.00 0.00 H new ATOM 0 HG LEU A 4 5.283 4.522 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.641 5.049 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.928 5.871 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.964 4.443 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.701 2.820 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.964 2.074 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.333 2.100 -1.559 1.00 0.00 H new ATOM 37 N SER A 5 3.140 3.845 2.793 1.00 0.00 N ATOM 38 CA SER A 5 2.484 3.317 3.997 1.00 0.00 C ATOM 39 C SER A 5 1.115 3.965 4.267 1.00 0.00 C ATOM 40 O SER A 5 0.086 3.387 3.917 1.00 0.00 O ATOM 41 CB SER A 5 3.428 3.505 5.206 1.00 0.00 C ATOM 42 OG SER A 5 2.735 3.399 6.446 1.00 0.00 O ATOM 0 H SER A 5 3.531 4.781 2.904 1.00 0.00 H new ATOM 0 HA SER A 5 2.287 2.257 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.219 2.756 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.909 4.481 5.142 1.00 0.00 H new ATOM 0 HG SER A 5 3.055 2.611 6.933 1.00 0.00 H new ATOM 45 N GLU A 6 1.194 5.272 4.462 1.00 0.00 N ATOM 46 CA GLU A 6 0.097 6.124 4.966 1.00 0.00 C ATOM 47 C GLU A 6 -1.148 6.135 4.071 1.00 0.00 C ATOM 48 O GLU A 6 -2.222 5.683 4.455 1.00 0.00 O ATOM 49 CB GLU A 6 0.628 7.544 5.184 1.00 0.00 C ATOM 50 CG GLU A 6 1.302 7.672 6.561 1.00 0.00 C ATOM 51 CD GLU A 6 1.736 9.109 6.864 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.878 9.449 6.494 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.902 9.854 7.428 1.00 0.00 O ATOM 0 H GLU A 6 2.046 5.799 4.271 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.237 5.693 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.343 7.794 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.191 8.259 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.612 7.333 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.172 7.016 6.600 1.00 0.00 H new ATOM 55 N ARG A 7 -0.910 6.538 2.838 1.00 0.00 N ATOM 56 CA ARG A 7 -1.931 6.681 1.802 1.00 0.00 C ATOM 57 C ARG A 7 -2.378 5.320 1.219 1.00 0.00 C ATOM 58 O ARG A 7 -3.573 5.116 1.013 1.00 0.00 O ATOM 59 CB ARG A 7 -1.340 7.615 0.741 1.00 0.00 C ATOM 60 CG ARG A 7 -2.190 7.851 -0.492 1.00 0.00 C ATOM 61 CD ARG A 7 -1.325 8.491 -1.582 1.00 0.00 C ATOM 62 NE ARG A 7 -0.970 9.877 -1.243 1.00 0.00 N ATOM 63 CZ ARG A 7 -0.559 10.784 -2.130 1.00 0.00 C ATOM 64 NH1 ARG A 7 -0.079 10.424 -3.313 1.00 0.00 N ATOM 65 NH2 ARG A 7 -0.318 12.036 -1.782 1.00 0.00 N ATOM 0 H ARG A 7 0.025 6.784 2.513 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.846 7.105 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.138 8.579 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.380 7.208 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.607 6.909 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.031 8.500 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.416 7.904 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.861 8.473 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.043 10.163 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.019 9.436 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.230 11.135 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.445 12.330 -0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.004 12.709 -2.482 1.00 0.00 H new ATOM 68 N LEU A 8 -1.432 4.394 1.066 1.00 0.00 N ATOM 69 CA LEU A 8 -1.732 2.994 0.682 1.00 0.00 C ATOM 70 C LEU A 8 -2.746 2.371 1.666 1.00 0.00 C ATOM 71 O LEU A 8 -3.798 1.889 1.255 1.00 0.00 O ATOM 72 CB LEU A 8 -0.432 2.179 0.643 1.00 0.00 C ATOM 73 CG LEU A 8 -0.630 0.823 -0.054 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.777 1.009 -1.562 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.561 -0.087 0.224 1.00 0.00 C ATOM 0 H LEU A 8 -0.438 4.580 1.201 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.180 2.983 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.338 2.747 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.074 2.016 1.660 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.539 0.368 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.916 0.038 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.641 1.641 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.121 1.482 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.411 -1.045 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.471 0.379 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.654 -0.247 1.298 1.00 0.00 H new ATOM 77 N LYS A 9 -2.458 2.554 2.952 1.00 0.00 N ATOM 78 CA LYS A 9 -3.362 2.184 4.062 1.00 0.00 C ATOM 79 C LYS A 9 -4.742 2.854 3.982 1.00 0.00 C ATOM 80 O LYS A 9 -5.770 2.187 4.001 1.00 0.00 O ATOM 81 CB LYS A 9 -2.681 2.601 5.357 1.00 0.00 C ATOM 82 CG LYS A 9 -2.754 1.474 6.376 1.00 0.00 C ATOM 83 CD LYS A 9 -2.275 1.918 7.754 1.00 0.00 C ATOM 84 CE LYS A 9 -0.771 2.205 7.829 1.00 0.00 C ATOM 85 NZ LYS A 9 -0.468 2.362 9.261 1.00 0.00 N ATOM 0 H LYS A 9 -1.581 2.968 3.267 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.542 1.110 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.640 2.858 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.160 3.494 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.781 1.116 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.147 0.636 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.821 2.816 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.523 1.144 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.194 1.389 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.516 3.107 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.546 2.560 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.024 3.151 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.712 1.486 9.766 1.00 0.00 H new ATOM 90 N LYS A 10 -4.724 4.171 3.826 1.00 0.00 N ATOM 91 CA LYS A 10 -5.943 5.001 3.753 1.00 0.00 C ATOM 92 C LYS A 10 -6.909 4.567 2.629 1.00 0.00 C ATOM 93 O LYS A 10 -8.102 4.421 2.854 1.00 0.00 O ATOM 94 CB LYS A 10 -5.444 6.430 3.552 1.00 0.00 C ATOM 95 CG LYS A 10 -6.529 7.486 3.751 1.00 0.00 C ATOM 96 CD LYS A 10 -5.865 8.841 3.581 1.00 0.00 C ATOM 97 CE LYS A 10 -6.829 9.985 3.919 1.00 0.00 C ATOM 98 NZ LYS A 10 -7.134 9.934 5.356 1.00 0.00 N ATOM 0 H LYS A 10 -3.861 4.708 3.745 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.535 4.897 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.628 6.623 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.035 6.526 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.332 7.356 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.977 7.397 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.988 8.901 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.515 8.950 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.382 10.945 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.745 9.893 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.492 10.859 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.856 9.206 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.270 9.700 5.886 1.00 0.00 H new ATOM 103 N ARG A 11 -6.326 4.249 1.475 1.00 0.00 N ATOM 104 CA ARG A 11 -7.104 3.736 0.336 1.00 0.00 C ATOM 105 C ARG A 11 -7.683 2.345 0.587 1.00 0.00 C ATOM 106 O ARG A 11 -8.853 2.095 0.306 1.00 0.00 O ATOM 107 CB ARG A 11 -6.201 3.743 -0.917 1.00 0.00 C ATOM 108 CG ARG A 11 -6.988 3.752 -2.231 1.00 0.00 C ATOM 109 CD ARG A 11 -7.604 2.403 -2.618 1.00 0.00 C ATOM 110 NE ARG A 11 -8.288 2.490 -3.917 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.520 2.936 -4.163 1.00 0.00 C ATOM 112 NH1 ARG A 11 -10.408 3.154 -3.188 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.991 2.907 -5.402 1.00 0.00 N ATOM 0 H ARG A 11 -5.325 4.335 1.299 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.964 4.389 0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.552 4.618 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.554 2.866 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.785 4.492 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.326 4.077 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.824 1.643 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.311 2.089 -1.851 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.756 2.171 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.152 2.979 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.342 3.496 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.412 2.545 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.933 3.247 -5.598 1.00 0.00 H new ATOM 116 N ARG A 12 -6.869 1.485 1.205 1.00 0.00 N ATOM 117 CA ARG A 12 -7.315 0.142 1.602 1.00 0.00 C ATOM 118 C ARG A 12 -8.610 0.161 2.454 1.00 0.00 C ATOM 119 O ARG A 12 -9.585 -0.523 2.133 1.00 0.00 O ATOM 120 CB ARG A 12 -6.194 -0.531 2.405 1.00 0.00 C ATOM 121 CG ARG A 12 -6.182 -2.039 2.206 1.00 0.00 C ATOM 122 CD ARG A 12 -5.072 -2.691 3.041 1.00 0.00 C ATOM 123 NE ARG A 12 -3.749 -2.225 2.575 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.732 -1.809 3.326 1.00 0.00 C ATOM 125 NH1 ARG A 12 -2.793 -1.793 4.650 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.632 -1.382 2.739 1.00 0.00 N ATOM 0 H ARG A 12 -5.899 1.692 1.442 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.541 -0.411 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.232 -0.117 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.320 -0.305 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.149 -2.455 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.033 -2.270 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.204 -2.442 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.134 -3.776 2.959 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.599 -2.222 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.639 -2.106 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.994 -1.467 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.568 -1.373 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.845 -1.060 3.303 1.00 0.00 H new ATOM 129 N ILE A 13 -8.672 1.142 3.349 1.00 0.00 N ATOM 130 CA ILE A 13 -9.856 1.434 4.199 1.00 0.00 C ATOM 131 C ILE A 13 -11.025 1.876 3.305 1.00 0.00 C ATOM 132 O ILE A 13 -12.099 1.272 3.322 1.00 0.00 O ATOM 133 CB ILE A 13 -9.530 2.516 5.243 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.302 2.132 6.092 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.740 2.740 6.173 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.658 3.318 6.815 1.00 0.00 C ATOM 0 H ILE A 13 -7.893 1.778 3.519 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.138 0.530 4.739 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.303 3.435 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.600 1.387 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.558 1.663 5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.497 3.508 6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.598 3.061 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.981 1.810 6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.801 2.971 7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.328 4.055 6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.386 3.774 7.486 1.00 0.00 H new ATOM 138 N ALA A 14 -10.762 2.885 2.470 1.00 0.00 N ATOM 139 CA ALA A 14 -11.751 3.448 1.524 1.00 0.00 C ATOM 140 C ALA A 14 -12.374 2.404 0.564 1.00 0.00 C ATOM 141 O ALA A 14 -13.567 2.438 0.312 1.00 0.00 O ATOM 142 CB ALA A 14 -11.103 4.573 0.724 1.00 0.00 C ATOM 0 H ALA A 14 -9.852 3.343 2.425 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.576 3.826 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.830 4.989 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.764 5.355 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.251 4.181 0.169 1.00 0.00 H new ATOM 144 N LEU A 15 -11.568 1.423 0.145 1.00 0.00 N ATOM 145 CA LEU A 15 -11.996 0.336 -0.754 1.00 0.00 C ATOM 146 C LEU A 15 -12.588 -0.883 -0.014 1.00 0.00 C ATOM 147 O LEU A 15 -13.028 -1.857 -0.636 1.00 0.00 O ATOM 148 CB LEU A 15 -10.786 -0.049 -1.630 1.00 0.00 C ATOM 149 CG LEU A 15 -11.231 -0.677 -2.959 1.00 0.00 C ATOM 150 CD1 LEU A 15 -10.570 -0.008 -4.153 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.874 -2.161 -3.019 1.00 0.00 C ATOM 0 H LEU A 15 -10.588 1.357 0.421 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.818 0.695 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.183 0.837 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.152 -0.751 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.311 -0.539 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.913 -0.483 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.835 1.049 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.488 -0.110 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.202 -2.576 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.795 -2.280 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.370 -2.688 -2.204 1.00 0.00 H new ATOM 153 N LYS A 16 -12.698 -0.763 1.304 1.00 0.00 N ATOM 154 CA LYS A 16 -13.216 -1.790 2.243 1.00 0.00 C ATOM 155 C LYS A 16 -12.454 -3.127 2.214 1.00 0.00 C ATOM 156 O LYS A 16 -12.946 -4.175 2.642 1.00 0.00 O ATOM 157 CB LYS A 16 -14.718 -1.970 2.046 1.00 0.00 C ATOM 158 CG LYS A 16 -15.392 -0.735 2.628 1.00 0.00 C ATOM 159 CD LYS A 16 -16.822 -0.600 2.141 1.00 0.00 C ATOM 160 CE LYS A 16 -17.435 0.585 2.857 1.00 0.00 C ATOM 161 NZ LYS A 16 -18.777 0.800 2.292 1.00 0.00 N ATOM 0 H LYS A 16 -12.418 0.091 1.786 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.035 -1.410 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.958 -2.079 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.068 -2.873 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.381 -0.792 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.826 0.154 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.847 -0.451 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.386 -1.509 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.496 0.395 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.817 1.473 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.227 1.610 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.698 0.993 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.356 -0.051 2.439 1.00 0.00 H new ATOM 166 N MET A 17 -11.153 -2.942 2.075 1.00 0.00 N ATOM 167 CA MET A 17 -10.217 -4.038 1.822 1.00 0.00 C ATOM 168 C MET A 17 -9.281 -4.200 3.024 1.00 0.00 C ATOM 169 O MET A 17 -8.807 -3.258 3.645 1.00 0.00 O ATOM 170 CB MET A 17 -9.450 -3.713 0.544 1.00 0.00 C ATOM 171 CG MET A 17 -8.827 -4.969 -0.069 1.00 0.00 C ATOM 172 SD MET A 17 -7.939 -4.665 -1.632 1.00 0.00 S ATOM 173 CE MET A 17 -9.014 -5.517 -2.749 1.00 0.00 C ATOM 0 H MET A 17 -10.708 -2.026 2.134 1.00 0.00 H new ATOM 0 HA MET A 17 -10.741 -4.985 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.123 -3.250 -0.178 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.667 -2.987 0.763 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.136 -5.408 0.651 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.613 -5.703 -0.246 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.524 -5.621 -3.717 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.244 -6.505 -2.351 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.938 -4.951 -2.868 1.00 0.00 H new ATOM 175 N THR A 18 -9.002 -5.472 3.255 1.00 0.00 N ATOM 176 CA THR A 18 -8.021 -5.917 4.268 1.00 0.00 C ATOM 177 C THR A 18 -6.733 -6.215 3.496 1.00 0.00 C ATOM 178 O THR A 18 -6.740 -6.366 2.273 1.00 0.00 O ATOM 179 CB THR A 18 -8.472 -7.190 5.002 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.736 -8.238 4.063 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.669 -6.950 5.920 1.00 0.00 C ATOM 0 H THR A 18 -9.444 -6.240 2.750 1.00 0.00 H new ATOM 0 HA THR A 18 -7.898 -5.146 5.028 1.00 0.00 H new ATOM 0 HB THR A 18 -7.651 -7.498 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.649 -8.147 3.719 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.943 -7.883 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.407 -6.207 6.673 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.512 -6.589 5.331 1.00 0.00 H new ATOM 184 N GLN A 19 -5.642 -6.352 4.233 1.00 0.00 N ATOM 185 CA GLN A 19 -4.363 -6.694 3.582 1.00 0.00 C ATOM 186 C GLN A 19 -4.294 -8.118 3.033 1.00 0.00 C ATOM 187 O GLN A 19 -3.689 -8.326 1.991 1.00 0.00 O ATOM 188 CB GLN A 19 -3.202 -6.442 4.507 1.00 0.00 C ATOM 189 CG GLN A 19 -2.389 -5.317 3.866 1.00 0.00 C ATOM 190 CD GLN A 19 -1.137 -4.934 4.644 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.677 -3.732 4.396 1.00 0.00 O flip ATOM 192 NE2 GLN A 19 -0.637 -5.626 5.517 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.601 -6.239 5.246 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.300 -6.033 2.718 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.549 -6.156 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.597 -7.341 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.100 -5.620 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.024 -4.437 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.004 -6.560 5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.148 -5.270 6.063 1.00 0.00 H new ATOM 194 N THR A 20 -4.873 -9.079 3.756 1.00 0.00 N ATOM 195 CA THR A 20 -4.988 -10.475 3.262 1.00 0.00 C ATOM 196 C THR A 20 -5.739 -10.596 1.936 1.00 0.00 C ATOM 197 O THR A 20 -5.311 -11.291 1.013 1.00 0.00 O ATOM 198 CB THR A 20 -5.568 -11.398 4.356 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.385 -12.747 3.937 1.00 0.00 O ATOM 200 CG2 THR A 20 -7.034 -11.128 4.722 1.00 0.00 C ATOM 0 H THR A 20 -5.271 -8.929 4.683 1.00 0.00 H new ATOM 0 HA THR A 20 -3.976 -10.812 3.039 1.00 0.00 H new ATOM 0 HB THR A 20 -5.024 -11.189 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.745 -13.353 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.350 -11.826 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.135 -10.107 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.660 -11.259 3.839 1.00 0.00 H new ATOM 203 N GLU A 21 -6.733 -9.719 1.784 1.00 0.00 N ATOM 204 CA GLU A 21 -7.458 -9.505 0.518 1.00 0.00 C ATOM 205 C GLU A 21 -6.550 -8.896 -0.570 1.00 0.00 C ATOM 206 O GLU A 21 -6.382 -9.500 -1.634 1.00 0.00 O ATOM 207 CB GLU A 21 -8.657 -8.600 0.766 1.00 0.00 C ATOM 208 CG GLU A 21 -9.922 -9.422 1.017 1.00 0.00 C ATOM 209 CD GLU A 21 -11.076 -8.512 1.442 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.941 -7.945 2.555 1.00 0.00 O ATOM 211 OE2 GLU A 21 -12.029 -8.371 0.657 1.00 0.00 O ATOM 0 H GLU A 21 -7.066 -9.126 2.544 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.795 -10.476 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.461 -7.957 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.808 -7.947 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.194 -9.967 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.732 -10.165 1.792 1.00 0.00 H new ATOM 213 N LEU A 22 -5.837 -7.821 -0.217 1.00 0.00 N ATOM 214 CA LEU A 22 -4.896 -7.157 -1.138 1.00 0.00 C ATOM 215 C LEU A 22 -3.763 -8.098 -1.591 1.00 0.00 C ATOM 216 O LEU A 22 -3.576 -8.292 -2.785 1.00 0.00 O ATOM 217 CB LEU A 22 -4.394 -5.898 -0.416 1.00 0.00 C ATOM 218 CG LEU A 22 -3.349 -5.122 -1.222 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.874 -4.653 -2.577 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.907 -3.899 -0.419 1.00 0.00 C ATOM 0 H LEU A 22 -5.891 -7.387 0.704 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.389 -6.877 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.241 -5.245 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.965 -6.184 0.545 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.516 -5.800 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.089 -4.109 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.176 -5.517 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.732 -3.998 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.162 -3.341 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.769 -3.260 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.474 -4.222 0.528 1.00 0.00 H new ATOM 222 N ALA A 23 -3.224 -8.839 -0.613 1.00 0.00 N ATOM 223 CA ALA A 23 -2.186 -9.880 -0.799 1.00 0.00 C ATOM 224 C ALA A 23 -2.602 -10.954 -1.819 1.00 0.00 C ATOM 225 O ALA A 23 -1.965 -11.048 -2.866 1.00 0.00 O ATOM 226 CB ALA A 23 -1.906 -10.517 0.559 1.00 0.00 C ATOM 0 H ALA A 23 -3.503 -8.732 0.362 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.289 -9.409 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.144 -11.288 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.553 -9.754 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.821 -10.964 0.947 1.00 0.00 H new ATOM 228 N THR A 24 -3.788 -11.531 -1.592 1.00 0.00 N ATOM 229 CA THR A 24 -4.410 -12.561 -2.448 1.00 0.00 C ATOM 230 C THR A 24 -4.436 -12.088 -3.916 1.00 0.00 C ATOM 231 O THR A 24 -3.767 -12.657 -4.775 1.00 0.00 O ATOM 232 CB THR A 24 -5.823 -12.863 -1.898 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.730 -13.386 -0.580 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.618 -13.829 -2.784 1.00 0.00 C ATOM 0 H THR A 24 -4.363 -11.290 -0.784 1.00 0.00 H new ATOM 0 HA THR A 24 -3.829 -13.483 -2.429 1.00 0.00 H new ATOM 0 HB THR A 24 -6.366 -11.918 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.830 -12.658 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.601 -14.001 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.736 -13.398 -3.778 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.084 -14.776 -2.860 1.00 0.00 H new ATOM 237 N LYS A 25 -5.016 -10.902 -4.089 1.00 0.00 N ATOM 238 CA LYS A 25 -5.173 -10.251 -5.403 1.00 0.00 C ATOM 239 C LYS A 25 -3.859 -9.835 -6.086 1.00 0.00 C ATOM 240 O LYS A 25 -3.657 -10.158 -7.255 1.00 0.00 O ATOM 241 CB LYS A 25 -6.083 -9.050 -5.243 1.00 0.00 C ATOM 242 CG LYS A 25 -7.538 -9.473 -5.379 1.00 0.00 C ATOM 243 CD LYS A 25 -8.425 -8.253 -5.195 1.00 0.00 C ATOM 244 CE LYS A 25 -9.894 -8.627 -5.373 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.667 -7.391 -5.270 1.00 0.00 N ATOM 0 H LYS A 25 -5.397 -10.354 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.606 -10.999 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.920 -8.588 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.843 -8.299 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.711 -9.920 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.781 -10.231 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.269 -7.829 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.150 -7.484 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.056 -9.103 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.205 -9.341 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.659 -7.580 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.618 -7.031 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.275 -6.681 -5.921 1.00 0.00 H new ATOM 250 N ALA A 26 -2.978 -9.187 -5.333 1.00 0.00 N ATOM 251 CA ALA A 26 -1.646 -8.777 -5.811 1.00 0.00 C ATOM 252 C ALA A 26 -0.721 -9.963 -6.180 1.00 0.00 C ATOM 253 O ALA A 26 0.340 -9.772 -6.777 1.00 0.00 O ATOM 254 CB ALA A 26 -0.959 -7.886 -4.769 1.00 0.00 C ATOM 0 H ALA A 26 -3.161 -8.925 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.816 -8.220 -6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.024 -7.590 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.564 -6.996 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.848 -8.437 -3.835 1.00 0.00 H new ATOM 256 N GLY A 27 -1.094 -11.170 -5.752 1.00 0.00 N ATOM 257 CA GLY A 27 -0.356 -12.428 -5.989 1.00 0.00 C ATOM 258 C GLY A 27 0.764 -12.693 -4.971 1.00 0.00 C ATOM 259 O GLY A 27 1.698 -13.440 -5.253 1.00 0.00 O ATOM 0 H GLY A 27 -1.947 -11.312 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.059 -13.260 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.075 -12.402 -6.990 1.00 0.00 H new ATOM 261 N VAL A 28 0.617 -12.111 -3.784 1.00 0.00 N ATOM 262 CA VAL A 28 1.606 -12.203 -2.687 1.00 0.00 C ATOM 263 C VAL A 28 0.979 -12.508 -1.319 1.00 0.00 C ATOM 264 O VAL A 28 -0.227 -12.694 -1.183 1.00 0.00 O ATOM 265 CB VAL A 28 2.511 -10.955 -2.640 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.709 -11.101 -3.588 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.789 -9.620 -2.872 1.00 0.00 C ATOM 0 H VAL A 28 -0.201 -11.551 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 28 2.233 -13.064 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 28 2.867 -10.910 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.328 -10.206 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.300 -11.969 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.351 -11.232 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.509 -8.803 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.318 -9.627 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.026 -9.481 -2.106 1.00 0.00 H new ATOM 269 N LYS A 29 1.832 -12.584 -0.302 1.00 0.00 N ATOM 270 CA LYS A 29 1.425 -12.879 1.098 1.00 0.00 C ATOM 271 C LYS A 29 1.218 -11.576 1.886 1.00 0.00 C ATOM 272 O LYS A 29 1.857 -10.571 1.616 1.00 0.00 O ATOM 273 CB LYS A 29 2.565 -13.676 1.717 1.00 0.00 C ATOM 274 CG LYS A 29 2.044 -14.748 2.680 1.00 0.00 C ATOM 275 CD LYS A 29 3.231 -15.339 3.443 1.00 0.00 C ATOM 276 CE LYS A 29 2.823 -16.561 4.271 1.00 0.00 C ATOM 277 NZ LYS A 29 2.547 -17.682 3.364 1.00 0.00 N ATOM 0 H LYS A 29 2.836 -12.444 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 29 0.486 -13.432 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.150 -14.148 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.234 -13.001 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.326 -14.314 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.522 -15.530 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.012 -15.622 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.655 -14.580 4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.619 -16.827 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.940 -16.334 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.519 -18.569 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.630 -17.533 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.296 -17.739 2.645 1.00 0.00 H new ATOM 282 N GLN A 30 0.407 -11.659 2.940 1.00 0.00 N ATOM 283 CA GLN A 30 0.122 -10.483 3.791 1.00 0.00 C ATOM 284 C GLN A 30 1.391 -9.780 4.325 1.00 0.00 C ATOM 285 O GLN A 30 1.565 -8.593 4.062 1.00 0.00 O ATOM 286 CB GLN A 30 -0.844 -10.823 4.926 1.00 0.00 C ATOM 287 CG GLN A 30 -1.490 -9.532 5.422 1.00 0.00 C ATOM 288 CD GLN A 30 -2.554 -9.755 6.499 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.752 -9.667 6.284 1.00 0.00 O ATOM 290 NE2 GLN A 30 -2.114 -9.823 7.729 1.00 0.00 N ATOM 0 H GLN A 30 -0.065 -12.515 3.231 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.367 -9.763 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.608 -11.518 4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.312 -11.316 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.715 -8.877 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.943 -9.014 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.113 -9.897 7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.772 -9.802 8.508 1.00 0.00 H new ATOM 292 N GLN A 31 2.338 -10.557 4.846 1.00 0.00 N ATOM 293 CA GLN A 31 3.655 -10.086 5.319 1.00 0.00 C ATOM 294 C GLN A 31 4.376 -9.134 4.345 1.00 0.00 C ATOM 295 O GLN A 31 4.767 -8.030 4.723 1.00 0.00 O ATOM 296 CB GLN A 31 4.600 -11.248 5.627 1.00 0.00 C ATOM 297 CG GLN A 31 4.229 -12.009 6.895 1.00 0.00 C ATOM 298 CD GLN A 31 3.205 -13.134 6.706 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.362 -13.168 5.805 1.00 0.00 O ATOM 300 NE2 GLN A 31 3.215 -14.042 7.655 1.00 0.00 N ATOM 0 H GLN A 31 2.215 -11.563 4.958 1.00 0.00 H new ATOM 0 HA GLN A 31 3.421 -9.529 6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.601 -11.939 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.616 -10.865 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.137 -12.434 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.835 -11.300 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.918 -14.001 8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.520 -14.788 7.654 1.00 0.00 H new ATOM 302 N SER A 32 4.298 -9.501 3.074 1.00 0.00 N ATOM 303 CA SER A 32 4.903 -8.757 1.948 1.00 0.00 C ATOM 304 C SER A 32 4.367 -7.328 1.840 1.00 0.00 C ATOM 305 O SER A 32 5.134 -6.374 1.767 1.00 0.00 O ATOM 306 CB SER A 32 4.596 -9.503 0.644 1.00 0.00 C ATOM 307 OG SER A 32 5.206 -10.802 0.666 1.00 0.00 O ATOM 0 H SER A 32 3.804 -10.342 2.777 1.00 0.00 H new ATOM 0 HA SER A 32 5.976 -8.695 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.518 -9.601 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.967 -8.932 -0.207 1.00 0.00 H new ATOM 0 HG SER A 32 5.004 -11.273 -0.170 1.00 0.00 H new ATOM 310 N ILE A 33 3.047 -7.198 1.945 1.00 0.00 N ATOM 311 CA ILE A 33 2.349 -5.894 1.906 1.00 0.00 C ATOM 312 C ILE A 33 2.554 -5.112 3.221 1.00 0.00 C ATOM 313 O ILE A 33 2.648 -3.885 3.239 1.00 0.00 O ATOM 314 CB ILE A 33 0.843 -6.085 1.612 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.548 -7.120 0.518 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.182 -4.732 1.305 1.00 0.00 C ATOM 317 CD1 ILE A 33 1.040 -6.807 -0.894 1.00 0.00 C ATOM 0 H ILE A 33 2.418 -7.993 2.061 1.00 0.00 H new ATOM 0 HA ILE A 33 2.784 -5.308 1.096 1.00 0.00 H new ATOM 0 HB ILE A 33 0.402 -6.499 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.986 -8.070 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.531 -7.266 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.878 -4.883 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.295 -4.069 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.660 -4.283 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.764 -7.621 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.583 -5.880 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.124 -6.696 -0.885 1.00 0.00 H new ATOM 319 N GLN A 34 2.668 -5.838 4.340 1.00 0.00 N ATOM 320 CA GLN A 34 2.910 -5.234 5.659 1.00 0.00 C ATOM 321 C GLN A 34 4.222 -4.459 5.745 1.00 0.00 C ATOM 322 O GLN A 34 4.285 -3.450 6.439 1.00 0.00 O ATOM 323 CB GLN A 34 2.952 -6.229 6.823 1.00 0.00 C ATOM 324 CG GLN A 34 1.690 -7.075 6.842 1.00 0.00 C ATOM 325 CD GLN A 34 1.522 -7.779 8.185 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.698 -8.988 8.320 1.00 0.00 O ATOM 327 NE2 GLN A 34 1.113 -7.031 9.173 1.00 0.00 N ATOM 0 H GLN A 34 2.596 -6.855 4.359 1.00 0.00 H new ATOM 0 HA GLN A 34 2.047 -4.575 5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.827 -6.872 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.051 -5.691 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.823 -6.444 6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.732 -7.815 6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.976 -6.030 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.931 -7.447 10.086 1.00 0.00 H new ATOM 329 N LEU A 35 5.231 -4.911 5.016 1.00 0.00 N ATOM 330 CA LEU A 35 6.517 -4.200 4.874 1.00 0.00 C ATOM 331 C LEU A 35 6.378 -2.776 4.306 1.00 0.00 C ATOM 332 O LEU A 35 7.139 -1.872 4.654 1.00 0.00 O ATOM 333 CB LEU A 35 7.410 -5.073 4.019 1.00 0.00 C ATOM 334 CG LEU A 35 7.971 -6.207 4.892 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.347 -7.392 4.017 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.151 -5.725 5.747 1.00 0.00 C ATOM 0 H LEU A 35 5.192 -5.788 4.497 1.00 0.00 H new ATOM 0 HA LEU A 35 6.954 -4.043 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.847 -5.484 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.224 -4.483 3.597 1.00 0.00 H new ATOM 0 HG LEU A 35 7.198 -6.530 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.744 -8.193 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.463 -7.748 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.104 -7.085 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.524 -6.552 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.948 -5.363 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.821 -4.917 6.400 1.00 0.00 H new ATOM 338 N ILE A 36 5.360 -2.587 3.476 1.00 0.00 N ATOM 339 CA ILE A 36 4.994 -1.271 2.898 1.00 0.00 C ATOM 340 C ILE A 36 4.192 -0.465 3.934 1.00 0.00 C ATOM 341 O ILE A 36 4.600 0.615 4.335 1.00 0.00 O ATOM 342 CB ILE A 36 4.181 -1.392 1.607 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.392 -2.673 0.757 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.437 -0.136 0.754 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.828 -3.031 0.378 1.00 0.00 C ATOM 0 H ILE A 36 4.748 -3.345 3.172 1.00 0.00 H new ATOM 0 HA ILE A 36 5.923 -0.761 2.645 1.00 0.00 H new ATOM 0 HB ILE A 36 3.143 -1.478 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.967 -3.515 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.816 -2.567 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.866 -0.202 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.127 0.750 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.499 -0.065 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.831 -3.946 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.263 -2.220 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.416 -3.183 1.283 1.00 0.00 H new ATOM 347 N GLU A 37 3.161 -1.121 4.496 1.00 0.00 N ATOM 348 CA GLU A 37 2.313 -0.616 5.607 1.00 0.00 C ATOM 349 C GLU A 37 3.147 -0.114 6.811 1.00 0.00 C ATOM 350 O GLU A 37 2.858 0.936 7.374 1.00 0.00 O ATOM 351 CB GLU A 37 1.412 -1.786 6.017 1.00 0.00 C ATOM 352 CG GLU A 37 0.439 -1.492 7.160 1.00 0.00 C ATOM 353 CD GLU A 37 -0.226 -2.771 7.689 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.525 -3.657 8.164 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.473 -2.822 7.625 1.00 0.00 O ATOM 0 H GLU A 37 2.880 -2.050 4.183 1.00 0.00 H new ATOM 0 HA GLU A 37 1.735 0.247 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.839 -2.104 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.044 -2.626 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.972 -0.997 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.329 -0.800 6.814 1.00 0.00 H new ATOM 357 N ALA A 38 4.157 -0.890 7.175 1.00 0.00 N ATOM 358 CA ALA A 38 5.126 -0.605 8.262 1.00 0.00 C ATOM 359 C ALA A 38 6.160 0.475 7.932 1.00 0.00 C ATOM 360 O ALA A 38 7.032 0.777 8.753 1.00 0.00 O ATOM 361 CB ALA A 38 5.812 -1.930 8.622 1.00 0.00 C ATOM 0 H ALA A 38 4.346 -1.778 6.710 1.00 0.00 H new ATOM 0 HA ALA A 38 4.572 -0.192 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.534 -1.761 9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.063 -2.648 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.326 -2.323 7.745 1.00 0.00 H new ATOM 363 N GLY A 39 6.108 0.983 6.697 1.00 0.00 N ATOM 364 CA GLY A 39 6.997 2.043 6.177 1.00 0.00 C ATOM 365 C GLY A 39 8.466 1.626 6.002 1.00 0.00 C ATOM 366 O GLY A 39 9.340 2.473 5.954 1.00 0.00 O ATOM 0 H GLY A 39 5.429 0.663 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.613 2.380 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.955 2.897 6.853 1.00 0.00 H new ATOM 368 N VAL A 40 8.669 0.349 5.675 1.00 0.00 N ATOM 369 CA VAL A 40 10.035 -0.247 5.595 1.00 0.00 C ATOM 370 C VAL A 40 10.502 -0.455 4.139 1.00 0.00 C ATOM 371 O VAL A 40 11.666 -0.229 3.803 1.00 0.00 O ATOM 372 CB VAL A 40 10.059 -1.552 6.428 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.349 -2.371 6.278 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.854 -1.239 7.917 1.00 0.00 C ATOM 0 H VAL A 40 7.916 -0.305 5.459 1.00 0.00 H new ATOM 0 HA VAL A 40 10.756 0.451 6.020 1.00 0.00 H new ATOM 0 HB VAL A 40 9.243 -2.158 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.284 -3.268 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.480 -2.656 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.200 -1.771 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.873 -2.166 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.651 -0.582 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.892 -0.747 8.056 1.00 0.00 H new ATOM 376 N THR A 41 9.601 -0.944 3.294 1.00 0.00 N ATOM 377 CA THR A 41 9.927 -1.268 1.900 1.00 0.00 C ATOM 378 C THR A 41 9.507 -0.122 0.967 1.00 0.00 C ATOM 379 O THR A 41 8.481 -0.179 0.282 1.00 0.00 O ATOM 380 CB THR A 41 9.287 -2.612 1.559 1.00 0.00 C ATOM 381 OG1 THR A 41 9.733 -3.558 2.522 1.00 0.00 O ATOM 382 CG2 THR A 41 9.641 -3.127 0.160 1.00 0.00 C ATOM 0 H THR A 41 8.630 -1.128 3.548 1.00 0.00 H new ATOM 0 HA THR A 41 11.003 -1.370 1.760 1.00 0.00 H new ATOM 0 HB THR A 41 8.206 -2.476 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.687 -4.460 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.150 -4.085 -0.010 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.304 -2.409 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.721 -3.253 0.081 1.00 0.00 H new ATOM 385 N LYS A 42 10.397 0.853 0.892 1.00 0.00 N ATOM 386 CA LYS A 42 10.172 2.096 0.128 1.00 0.00 C ATOM 387 C LYS A 42 9.925 1.893 -1.381 1.00 0.00 C ATOM 388 O LYS A 42 9.333 2.760 -2.010 1.00 0.00 O ATOM 389 CB LYS A 42 11.260 3.130 0.455 1.00 0.00 C ATOM 390 CG LYS A 42 12.688 2.649 0.180 1.00 0.00 C ATOM 391 CD LYS A 42 13.130 3.106 -1.207 1.00 0.00 C ATOM 392 CE LYS A 42 14.494 2.527 -1.557 1.00 0.00 C ATOM 393 NZ LYS A 42 14.925 3.236 -2.757 1.00 0.00 N ATOM 0 H LYS A 42 11.304 0.817 1.357 1.00 0.00 H new ATOM 0 HA LYS A 42 9.219 2.505 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.074 4.032 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.178 3.407 1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.366 3.044 0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.734 1.562 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.396 2.793 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.173 4.195 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.202 2.671 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.430 1.454 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.648 2.675 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.110 3.381 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.324 4.159 -2.491 1.00 0.00 H new ATOM 398 N ARG A 43 10.508 0.850 -1.955 1.00 0.00 N ATOM 399 CA ARG A 43 10.128 0.373 -3.304 1.00 0.00 C ATOM 400 C ARG A 43 9.861 -1.140 -3.356 1.00 0.00 C ATOM 401 O ARG A 43 10.810 -1.924 -3.336 1.00 0.00 O ATOM 402 CB ARG A 43 11.149 0.801 -4.364 1.00 0.00 C ATOM 403 CG ARG A 43 10.820 2.235 -4.773 1.00 0.00 C ATOM 404 CD ARG A 43 11.924 2.908 -5.572 1.00 0.00 C ATOM 405 NE ARG A 43 11.532 4.330 -5.667 1.00 0.00 N ATOM 406 CZ ARG A 43 12.359 5.377 -5.686 1.00 0.00 C ATOM 407 NH1 ARG A 43 13.651 5.236 -5.951 1.00 0.00 N ATOM 408 NH2 ARG A 43 11.844 6.589 -5.684 1.00 0.00 N ATOM 0 H ARG A 43 11.251 0.307 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 43 9.180 0.857 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.162 0.740 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.105 0.137 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.904 2.234 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.621 2.823 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.889 2.799 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.021 2.461 -6.561 1.00 0.00 H new ATOM 0 HE ARG A 43 10.533 4.530 -5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.034 4.311 -6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.262 6.053 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.832 6.713 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.457 7.404 -5.698 1.00 0.00 H new ATOM 411 N PRO A 44 8.592 -1.542 -3.300 1.00 0.00 N ATOM 412 CA PRO A 44 8.210 -2.939 -3.578 1.00 0.00 C ATOM 413 C PRO A 44 8.301 -3.224 -5.078 1.00 0.00 C ATOM 414 O PRO A 44 7.883 -2.414 -5.910 1.00 0.00 O ATOM 415 CB PRO A 44 6.765 -3.070 -3.084 1.00 0.00 C ATOM 416 CG PRO A 44 6.221 -1.648 -3.116 1.00 0.00 C ATOM 417 CD PRO A 44 7.432 -0.768 -2.810 1.00 0.00 C ATOM 0 HA PRO A 44 8.869 -3.652 -3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.184 -3.732 -3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.726 -3.488 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.792 -1.409 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.432 -1.508 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.358 0.196 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.514 -0.565 -1.742 1.00 0.00 H new ATOM 418 N ARG A 45 8.879 -4.377 -5.410 1.00 0.00 N ATOM 419 CA ARG A 45 8.848 -4.881 -6.808 1.00 0.00 C ATOM 420 C ARG A 45 7.416 -5.045 -7.340 1.00 0.00 C ATOM 421 O ARG A 45 7.058 -4.543 -8.404 1.00 0.00 O ATOM 422 CB ARG A 45 9.538 -6.244 -6.982 1.00 0.00 C ATOM 423 CG ARG A 45 11.059 -6.165 -6.866 1.00 0.00 C ATOM 424 CD ARG A 45 11.501 -6.164 -5.396 1.00 0.00 C ATOM 425 NE ARG A 45 12.865 -5.633 -5.346 1.00 0.00 N ATOM 426 CZ ARG A 45 13.968 -6.292 -5.013 1.00 0.00 C ATOM 427 NH1 ARG A 45 13.946 -7.544 -4.562 1.00 0.00 N ATOM 428 NH2 ARG A 45 15.124 -5.659 -5.037 1.00 0.00 N ATOM 0 H ARG A 45 9.370 -4.981 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 45 9.387 -4.118 -7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.158 -6.936 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.275 -6.656 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.511 -7.011 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.418 -5.261 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.829 -5.552 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.467 -7.173 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 45 12.980 -4.650 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.057 -8.034 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.818 -8.013 -4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.162 -4.677 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.981 -6.152 -4.784 1.00 0.00 H new ATOM 431 N PHE A 46 6.567 -5.574 -6.458 1.00 0.00 N ATOM 432 CA PHE A 46 5.139 -5.843 -6.702 1.00 0.00 C ATOM 433 C PHE A 46 4.227 -4.629 -6.502 1.00 0.00 C ATOM 434 O PHE A 46 3.022 -4.773 -6.271 1.00 0.00 O ATOM 435 CB PHE A 46 4.677 -7.054 -5.872 1.00 0.00 C ATOM 436 CG PHE A 46 5.169 -7.080 -4.421 1.00 0.00 C ATOM 437 CD1 PHE A 46 6.455 -7.604 -4.122 1.00 0.00 C ATOM 438 CD2 PHE A 46 4.301 -6.648 -3.402 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.865 -7.705 -2.770 1.00 0.00 C ATOM 440 CE2 PHE A 46 4.711 -6.750 -2.050 1.00 0.00 C ATOM 441 CZ PHE A 46 5.988 -7.274 -1.754 1.00 0.00 C ATOM 0 H PHE A 46 6.860 -5.839 -5.518 1.00 0.00 H new ATOM 0 HA PHE A 46 5.046 -6.082 -7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.587 -7.077 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.014 -7.964 -6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.113 -7.922 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.331 -6.242 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.836 -8.107 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.054 -6.430 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.301 -7.347 -0.723 1.00 0.00 H new ATOM 443 N LEU A 47 4.765 -3.442 -6.765 1.00 0.00 N ATOM 444 CA LEU A 47 3.988 -2.194 -6.689 1.00 0.00 C ATOM 445 C LEU A 47 2.864 -2.130 -7.740 1.00 0.00 C ATOM 446 O LEU A 47 1.743 -1.767 -7.410 1.00 0.00 O ATOM 447 CB LEU A 47 4.886 -0.951 -6.653 1.00 0.00 C ATOM 448 CG LEU A 47 5.410 -0.403 -7.991 1.00 0.00 C ATOM 449 CD1 LEU A 47 6.031 0.973 -7.743 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.427 -1.334 -8.669 1.00 0.00 C ATOM 0 H LEU A 47 5.740 -3.311 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 47 3.470 -2.200 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.332 -0.153 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.747 -1.179 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 47 4.566 -0.330 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.408 1.377 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.275 1.645 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.853 0.879 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.757 -0.890 -9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.285 -1.475 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.961 -2.299 -8.869 1.00 0.00 H new ATOM 452 N PHE A 48 3.125 -2.674 -8.939 1.00 0.00 N ATOM 453 CA PHE A 48 2.121 -2.837 -10.010 1.00 0.00 C ATOM 454 C PHE A 48 0.965 -3.740 -9.557 1.00 0.00 C ATOM 455 O PHE A 48 -0.211 -3.376 -9.639 1.00 0.00 O ATOM 456 CB PHE A 48 2.820 -3.460 -11.226 1.00 0.00 C ATOM 457 CG PHE A 48 1.990 -3.303 -12.504 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.039 -2.080 -13.200 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.230 -4.389 -12.988 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.303 -1.929 -14.404 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.494 -4.248 -14.189 1.00 0.00 C ATOM 462 CZ PHE A 48 0.544 -3.015 -14.888 1.00 0.00 C ATOM 0 H PHE A 48 4.050 -3.018 -9.198 1.00 0.00 H new ATOM 0 HA PHE A 48 1.700 -1.863 -10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.794 -2.990 -11.365 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.001 -4.518 -11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.633 -1.262 -12.820 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.210 -5.322 -12.445 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.324 -0.994 -14.943 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.098 -5.068 -14.568 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.010 -2.905 -15.809 1.00 0.00 H new ATOM 464 N GLU A 49 1.369 -4.890 -9.022 1.00 0.00 N ATOM 465 CA GLU A 49 0.457 -5.888 -8.442 1.00 0.00 C ATOM 466 C GLU A 49 -0.453 -5.316 -7.350 1.00 0.00 C ATOM 467 O GLU A 49 -1.660 -5.210 -7.575 1.00 0.00 O ATOM 468 CB GLU A 49 1.292 -7.094 -7.977 1.00 0.00 C ATOM 469 CG GLU A 49 1.625 -8.078 -9.107 1.00 0.00 C ATOM 470 CD GLU A 49 2.613 -7.561 -10.152 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.739 -7.205 -9.743 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.204 -7.442 -11.323 1.00 0.00 O ATOM 0 H GLU A 49 2.351 -5.164 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.245 -6.219 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.220 -6.734 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.748 -7.622 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.031 -8.988 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.699 -8.354 -9.611 1.00 0.00 H new ATOM 474 N ILE A 50 0.150 -4.658 -6.345 1.00 0.00 N ATOM 475 CA ILE A 50 -0.611 -3.965 -5.270 1.00 0.00 C ATOM 476 C ILE A 50 -1.567 -2.924 -5.881 1.00 0.00 C ATOM 477 O ILE A 50 -2.775 -2.998 -5.663 1.00 0.00 O ATOM 478 CB ILE A 50 0.301 -3.330 -4.207 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.201 -4.405 -3.568 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.535 -2.587 -3.138 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.245 -3.858 -2.579 1.00 0.00 C ATOM 0 H ILE A 50 1.163 -4.587 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.198 -4.722 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 50 0.943 -2.594 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.571 -5.127 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.718 -4.946 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.131 -2.146 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.119 -1.800 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.208 -3.291 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.834 -4.683 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.904 -3.159 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.738 -3.343 -1.763 1.00 0.00 H new ATOM 483 N ALA A 51 -1.022 -2.104 -6.776 1.00 0.00 N ATOM 484 CA ALA A 51 -1.768 -1.019 -7.448 1.00 0.00 C ATOM 485 C ALA A 51 -3.061 -1.484 -8.124 1.00 0.00 C ATOM 486 O ALA A 51 -4.140 -1.059 -7.702 1.00 0.00 O ATOM 487 CB ALA A 51 -0.853 -0.346 -8.468 1.00 0.00 C ATOM 0 H ALA A 51 -0.045 -2.166 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.075 -0.315 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.395 0.456 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.018 0.067 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.528 -1.080 -9.205 1.00 0.00 H new ATOM 489 N MET A 52 -2.953 -2.532 -8.939 1.00 0.00 N ATOM 490 CA MET A 52 -4.090 -3.098 -9.698 1.00 0.00 C ATOM 491 C MET A 52 -5.090 -3.904 -8.857 1.00 0.00 C ATOM 492 O MET A 52 -6.287 -3.906 -9.120 1.00 0.00 O ATOM 493 CB MET A 52 -3.526 -3.948 -10.835 1.00 0.00 C ATOM 494 CG MET A 52 -2.872 -3.053 -11.887 1.00 0.00 C ATOM 495 SD MET A 52 -4.033 -1.879 -12.670 1.00 0.00 S ATOM 496 CE MET A 52 -2.857 -0.912 -13.598 1.00 0.00 C ATOM 0 H MET A 52 -2.073 -3.022 -9.099 1.00 0.00 H new ATOM 0 HA MET A 52 -4.674 -2.259 -10.078 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.795 -4.655 -10.443 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.324 -4.535 -11.291 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.060 -2.493 -11.422 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.426 -3.680 -12.659 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.382 -0.133 -14.150 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.143 -0.454 -12.914 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.326 -1.558 -14.298 1.00 0.00 H new ATOM 498 N ALA A 53 -4.558 -4.499 -7.787 1.00 0.00 N ATOM 499 CA ALA A 53 -5.317 -5.261 -6.779 1.00 0.00 C ATOM 500 C ALA A 53 -6.180 -4.309 -5.908 1.00 0.00 C ATOM 501 O ALA A 53 -7.306 -4.635 -5.527 1.00 0.00 O ATOM 502 CB ALA A 53 -4.304 -5.984 -5.905 1.00 0.00 C ATOM 0 H ALA A 53 -3.558 -4.466 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.990 -5.966 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.827 -6.562 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.705 -6.655 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.653 -5.255 -5.423 1.00 0.00 H new ATOM 504 N LEU A 54 -5.599 -3.136 -5.638 1.00 0.00 N ATOM 505 CA LEU A 54 -6.192 -2.044 -4.852 1.00 0.00 C ATOM 506 C LEU A 54 -6.759 -0.904 -5.740 1.00 0.00 C ATOM 507 O LEU A 54 -7.026 0.197 -5.276 1.00 0.00 O ATOM 508 CB LEU A 54 -5.045 -1.549 -3.957 1.00 0.00 C ATOM 509 CG LEU A 54 -5.465 -0.758 -2.713 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.392 -1.560 -1.796 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.226 -0.326 -1.944 1.00 0.00 C ATOM 0 H LEU A 54 -4.663 -2.910 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.052 -2.388 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.461 -2.412 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.385 -0.923 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.023 0.115 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.660 -0.955 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.295 -1.834 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.882 -2.464 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.525 0.237 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.661 -1.207 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.603 0.303 -2.581 1.00 0.00 H new ATOM 513 N ASN A 55 -6.913 -1.193 -7.028 1.00 0.00 N ATOM 514 CA ASN A 55 -7.492 -0.290 -8.060 1.00 0.00 C ATOM 515 C ASN A 55 -7.005 1.171 -8.035 1.00 0.00 C ATOM 516 O ASN A 55 -7.765 2.137 -8.047 1.00 0.00 O ATOM 517 CB ASN A 55 -9.017 -0.359 -8.016 1.00 0.00 C ATOM 518 CG ASN A 55 -9.481 -1.771 -8.369 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.668 -2.137 -9.510 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.547 -2.615 -7.354 1.00 0.00 N ATOM 0 H ASN A 55 -6.632 -2.094 -7.414 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.115 -0.671 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.374 -0.087 -7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.443 0.360 -8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.759 -3.599 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.386 -2.283 -6.403 1.00 0.00 H new ATOM 522 N CYS A 56 -5.691 1.299 -7.899 1.00 0.00 N ATOM 523 CA CYS A 56 -4.987 2.591 -8.004 1.00 0.00 C ATOM 524 C CYS A 56 -3.732 2.492 -8.874 1.00 0.00 C ATOM 525 O CYS A 56 -3.425 1.453 -9.467 1.00 0.00 O ATOM 526 CB CYS A 56 -4.702 3.159 -6.604 1.00 0.00 C ATOM 527 SG CYS A 56 -3.521 2.178 -5.616 1.00 0.00 S ATOM 0 H CYS A 56 -5.072 0.511 -7.711 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.641 3.298 -8.515 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.315 4.173 -6.709 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.642 3.232 -6.057 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.350 2.743 -4.458 1.00 0.00 H new ATOM 529 N ASP A 57 -2.964 3.575 -8.879 1.00 0.00 N ATOM 530 CA ASP A 57 -1.817 3.768 -9.790 1.00 0.00 C ATOM 531 C ASP A 57 -0.470 3.469 -9.098 1.00 0.00 C ATOM 532 O ASP A 57 -0.242 3.987 -8.006 1.00 0.00 O ATOM 533 CB ASP A 57 -1.946 5.216 -10.286 1.00 0.00 C ATOM 534 CG ASP A 57 -0.939 5.608 -11.360 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.251 5.699 -10.987 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.357 5.783 -12.520 1.00 0.00 O ATOM 0 H ASP A 57 -3.113 4.361 -8.246 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.831 3.070 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.952 5.364 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.833 5.889 -9.436 1.00 0.00 H new