USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 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 Set 1.1: A 17 MET CE :methyl 167:sc= -0.0271 (180deg=0) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -121:sc= 0.00444 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot -69:sc= 1.28 USER MOD Set 2.2: A 30 GLN : amide:sc= 1.02 K(o=2.2,f=-1.7) USER MOD Set 2.3: A 34 GLN : amide:sc= -0.0666 X(o=2.2,f=1.7) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0114 (180deg=-0.221) USER MOD Single : A 18 THR OG1 : rot -71:sc= 0.594 USER MOD Single : A 19 GLN : amide:sc= -9.72! C(o=-9.7!,f=-4.6!) USER MOD Single : A 24 THR OG1 : rot 78:sc= 0.261 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.931 K(o=0.93,f=-5.5!) USER MOD Single : A 32 SER OG : rot -150:sc= -0.731 USER MOD Single : A 41 THR OG1 : rot -167:sc= -1.77! USER MOD Single : A 42 LYS NZ :NH3+ -141:sc= -0.152 (180deg=-0.983) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -1.36 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.465 5.900 1.537 1.00 0.00 N ATOM 29 CA LEU A 4 4.100 4.540 1.085 1.00 0.00 C ATOM 30 C LEU A 4 3.088 3.837 1.995 1.00 0.00 C ATOM 31 O LEU A 4 1.984 3.507 1.566 1.00 0.00 O ATOM 32 CB LEU A 4 5.350 3.663 0.960 1.00 0.00 C ATOM 33 CG LEU A 4 6.231 4.048 -0.229 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.321 5.046 0.192 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.887 2.777 -0.756 1.00 0.00 C ATOM 0 HA LEU A 4 3.623 4.673 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.934 3.738 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.048 2.621 0.859 1.00 0.00 H new ATOM 0 HG LEU A 4 5.619 4.522 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.933 5.303 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.855 5.948 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.949 4.596 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.523 3.022 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.491 2.326 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.116 2.073 -1.070 1.00 0.00 H new ATOM 37 N SER A 5 3.334 3.944 3.301 1.00 0.00 N ATOM 38 CA SER A 5 2.545 3.283 4.355 1.00 0.00 C ATOM 39 C SER A 5 1.152 3.892 4.528 1.00 0.00 C ATOM 40 O SER A 5 0.159 3.316 4.086 1.00 0.00 O ATOM 41 CB SER A 5 3.367 3.383 5.653 1.00 0.00 C ATOM 42 OG SER A 5 3.796 4.730 5.865 1.00 0.00 O ATOM 0 H SER A 5 4.103 4.504 3.669 1.00 0.00 H new ATOM 0 HA SER A 5 2.364 2.244 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.767 3.048 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.233 2.723 5.595 1.00 0.00 H new ATOM 0 HG SER A 5 4.316 4.781 6.694 1.00 0.00 H new ATOM 45 N GLU A 6 1.196 5.187 4.794 1.00 0.00 N ATOM 46 CA GLU A 6 0.056 6.047 5.177 1.00 0.00 C ATOM 47 C GLU A 6 -0.981 6.186 4.068 1.00 0.00 C ATOM 48 O GLU A 6 -2.167 5.905 4.242 1.00 0.00 O ATOM 49 CB GLU A 6 0.649 7.399 5.541 1.00 0.00 C ATOM 50 CG GLU A 6 1.218 7.376 6.967 1.00 0.00 C ATOM 51 CD GLU A 6 1.731 8.751 7.399 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.780 9.182 6.862 1.00 0.00 O ATOM 53 OE2 GLU A 6 1.047 9.362 8.257 1.00 0.00 O ATOM 0 H GLU A 6 2.071 5.709 4.750 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.482 5.601 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.437 7.658 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.117 8.171 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.446 7.042 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.031 6.652 7.022 1.00 0.00 H new ATOM 55 N ARG A 7 -0.461 6.498 2.895 1.00 0.00 N ATOM 56 CA ARG A 7 -1.225 6.688 1.653 1.00 0.00 C ATOM 57 C ARG A 7 -1.894 5.395 1.131 1.00 0.00 C ATOM 58 O ARG A 7 -3.085 5.393 0.805 1.00 0.00 O ATOM 59 CB ARG A 7 -0.208 7.320 0.705 1.00 0.00 C ATOM 60 CG ARG A 7 -0.658 7.523 -0.735 1.00 0.00 C ATOM 61 CD ARG A 7 0.467 8.127 -1.574 1.00 0.00 C ATOM 62 NE ARG A 7 1.668 7.269 -1.548 1.00 0.00 N ATOM 63 CZ ARG A 7 2.935 7.668 -1.451 1.00 0.00 C ATOM 64 NH1 ARG A 7 3.309 8.938 -1.410 1.00 0.00 N ATOM 65 NH2 ARG A 7 3.896 6.769 -1.412 1.00 0.00 N ATOM 0 H ARG A 7 0.542 6.633 2.765 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.098 7.327 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.082 8.289 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.686 6.697 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.965 6.569 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.529 8.178 -0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.130 8.255 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.716 9.118 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 7 1.511 6.263 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.608 9.678 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.298 9.176 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.667 5.776 -1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.869 7.066 -1.338 1.00 0.00 H new ATOM 68 N LEU A 8 -1.145 4.294 1.163 1.00 0.00 N ATOM 69 CA LEU A 8 -1.651 2.960 0.776 1.00 0.00 C ATOM 70 C LEU A 8 -2.703 2.435 1.768 1.00 0.00 C ATOM 71 O LEU A 8 -3.775 1.972 1.349 1.00 0.00 O ATOM 72 CB LEU A 8 -0.451 2.010 0.657 1.00 0.00 C ATOM 73 CG LEU A 8 -0.735 0.658 -0.003 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.331 0.813 -1.403 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.582 -0.123 -0.080 1.00 0.00 C ATOM 0 H LEU A 8 -0.168 4.292 1.457 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.161 3.027 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.332 2.513 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.054 1.829 1.656 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.471 0.124 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.515 -0.172 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.270 1.363 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.633 1.359 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.404 -1.091 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.304 0.439 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.976 -0.272 0.925 1.00 0.00 H new ATOM 77 N LYS A 9 -2.429 2.632 3.062 1.00 0.00 N ATOM 78 CA LYS A 9 -3.362 2.360 4.175 1.00 0.00 C ATOM 79 C LYS A 9 -4.780 2.921 3.916 1.00 0.00 C ATOM 80 O LYS A 9 -5.776 2.201 3.925 1.00 0.00 O ATOM 81 CB LYS A 9 -2.763 2.999 5.424 1.00 0.00 C ATOM 82 CG LYS A 9 -3.530 2.670 6.704 1.00 0.00 C ATOM 83 CD LYS A 9 -3.138 3.654 7.799 1.00 0.00 C ATOM 84 CE LYS A 9 -3.926 3.356 9.075 1.00 0.00 C ATOM 85 NZ LYS A 9 -3.716 4.440 10.037 1.00 0.00 N ATOM 0 H LYS A 9 -1.530 2.995 3.379 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.482 1.283 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.731 2.667 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.738 4.081 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.603 2.722 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.310 1.651 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.068 3.583 7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.335 4.674 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.987 3.258 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.603 2.407 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.251 4.241 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.703 4.513 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.045 5.337 9.626 1.00 0.00 H new ATOM 90 N LYS A 10 -4.804 4.211 3.597 1.00 0.00 N ATOM 91 CA LYS A 10 -6.042 4.959 3.324 1.00 0.00 C ATOM 92 C LYS A 10 -6.835 4.429 2.129 1.00 0.00 C ATOM 93 O LYS A 10 -8.058 4.245 2.199 1.00 0.00 O ATOM 94 CB LYS A 10 -5.581 6.400 3.076 1.00 0.00 C ATOM 95 CG LYS A 10 -6.722 7.327 3.452 1.00 0.00 C ATOM 96 CD LYS A 10 -6.402 8.750 3.008 1.00 0.00 C ATOM 97 CE LYS A 10 -5.604 9.534 4.040 1.00 0.00 C ATOM 98 NZ LYS A 10 -5.522 10.858 3.420 1.00 0.00 N ATOM 0 H LYS A 10 -3.960 4.779 3.518 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.732 4.865 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.695 6.625 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.306 6.538 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.646 6.989 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.884 7.301 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.841 8.715 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.333 9.277 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.107 9.566 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.618 9.101 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.989 11.500 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.038 10.782 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.481 11.234 3.276 1.00 0.00 H new ATOM 103 N ARG A 11 -6.127 4.143 1.047 1.00 0.00 N ATOM 104 CA ARG A 11 -6.730 3.552 -0.161 1.00 0.00 C ATOM 105 C ARG A 11 -7.348 2.159 0.056 1.00 0.00 C ATOM 106 O ARG A 11 -8.472 1.901 -0.368 1.00 0.00 O ATOM 107 CB ARG A 11 -5.652 3.550 -1.263 1.00 0.00 C ATOM 108 CG ARG A 11 -6.241 3.235 -2.638 1.00 0.00 C ATOM 109 CD ARG A 11 -7.240 4.306 -3.057 1.00 0.00 C ATOM 110 NE ARG A 11 -8.051 3.794 -4.165 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.113 4.404 -4.686 1.00 0.00 C ATOM 112 NH1 ARG A 11 -9.391 5.662 -4.410 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.771 3.791 -5.657 1.00 0.00 N ATOM 0 H ARG A 11 -5.123 4.309 0.971 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.583 4.162 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.162 4.523 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.886 2.814 -1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.441 3.170 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.732 2.262 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.879 4.575 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.716 5.212 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.780 2.898 -4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.786 6.192 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.211 6.105 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.460 2.877 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.589 4.233 -6.077 1.00 0.00 H new ATOM 116 N ARG A 12 -6.673 1.360 0.886 1.00 0.00 N ATOM 117 CA ARG A 12 -7.183 0.061 1.350 1.00 0.00 C ATOM 118 C ARG A 12 -8.530 0.197 2.083 1.00 0.00 C ATOM 119 O ARG A 12 -9.480 -0.530 1.791 1.00 0.00 O ATOM 120 CB ARG A 12 -6.111 -0.523 2.272 1.00 0.00 C ATOM 121 CG ARG A 12 -6.183 -2.045 2.347 1.00 0.00 C ATOM 122 CD ARG A 12 -5.133 -2.597 3.324 1.00 0.00 C ATOM 123 NE ARG A 12 -3.773 -2.358 2.828 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.839 -1.602 3.415 1.00 0.00 C ATOM 125 NH1 ARG A 12 -3.089 -0.939 4.535 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.619 -1.528 2.925 1.00 0.00 N ATOM 0 H ARG A 12 -5.753 1.594 1.259 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.375 -0.595 0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.125 -0.225 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.228 -0.106 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.179 -2.350 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.022 -2.470 1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.256 -2.126 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.289 -3.666 3.465 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.515 -2.812 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.010 -0.999 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.360 -0.369 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.374 -2.052 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.919 -0.946 3.385 1.00 0.00 H new ATOM 129 N ILE A 13 -8.638 1.262 2.877 1.00 0.00 N ATOM 130 CA ILE A 13 -9.872 1.622 3.629 1.00 0.00 C ATOM 131 C ILE A 13 -11.000 2.043 2.664 1.00 0.00 C ATOM 132 O ILE A 13 -12.129 1.572 2.809 1.00 0.00 O ATOM 133 CB ILE A 13 -9.550 2.716 4.665 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.460 2.228 5.642 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.808 3.103 5.463 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.795 3.335 6.475 1.00 0.00 C ATOM 0 H ILE A 13 -7.870 1.916 3.028 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.234 0.747 4.169 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.189 3.591 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.901 1.498 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.689 1.709 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.555 3.877 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.570 3.480 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.191 2.227 5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.044 2.895 7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.319 4.055 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.550 3.841 7.076 1.00 0.00 H new ATOM 138 N ALA A 14 -10.669 2.859 1.663 1.00 0.00 N ATOM 139 CA ALA A 14 -11.626 3.334 0.626 1.00 0.00 C ATOM 140 C ALA A 14 -12.382 2.185 -0.070 1.00 0.00 C ATOM 141 O ALA A 14 -13.586 2.271 -0.272 1.00 0.00 O ATOM 142 CB ALA A 14 -10.876 4.182 -0.409 1.00 0.00 C ATOM 0 H ALA A 14 -9.724 3.220 1.535 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.381 3.936 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.575 4.531 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.420 5.040 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.099 3.579 -0.880 1.00 0.00 H new ATOM 144 N LEU A 15 -11.660 1.102 -0.345 1.00 0.00 N ATOM 145 CA LEU A 15 -12.209 -0.133 -0.946 1.00 0.00 C ATOM 146 C LEU A 15 -12.772 -1.164 0.049 1.00 0.00 C ATOM 147 O LEU A 15 -13.273 -2.204 -0.361 1.00 0.00 O ATOM 148 CB LEU A 15 -11.155 -0.792 -1.827 1.00 0.00 C ATOM 149 CG LEU A 15 -10.986 -0.091 -3.174 1.00 0.00 C ATOM 150 CD1 LEU A 15 -10.018 1.093 -3.081 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.425 -1.092 -4.183 1.00 0.00 C ATOM 0 H LEU A 15 -10.659 1.046 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.068 0.196 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.200 -0.795 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.429 -1.833 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.962 0.284 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.925 1.565 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.399 1.819 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.040 0.739 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.300 -0.603 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.460 -1.458 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.115 -1.929 -4.287 1.00 0.00 H new ATOM 153 N LYS A 16 -12.680 -0.854 1.344 1.00 0.00 N ATOM 154 CA LYS A 16 -13.044 -1.767 2.460 1.00 0.00 C ATOM 155 C LYS A 16 -12.301 -3.111 2.445 1.00 0.00 C ATOM 156 O LYS A 16 -12.791 -4.144 2.915 1.00 0.00 O ATOM 157 CB LYS A 16 -14.568 -1.915 2.539 1.00 0.00 C ATOM 158 CG LYS A 16 -15.170 -0.768 3.353 1.00 0.00 C ATOM 159 CD LYS A 16 -14.944 -1.020 4.845 1.00 0.00 C ATOM 160 CE LYS A 16 -15.278 0.213 5.696 1.00 0.00 C ATOM 161 NZ LYS A 16 -14.243 1.238 5.486 1.00 0.00 N ATOM 0 H LYS A 16 -12.345 0.054 1.666 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.698 -1.301 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.992 -1.920 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.824 -2.870 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.713 0.177 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.237 -0.683 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.559 -1.860 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.905 -1.304 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.257 0.605 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.328 -0.060 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.291 1.942 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.305 0.789 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.401 1.708 4.572 1.00 0.00 H new ATOM 166 N MET A 17 -11.028 -3.006 2.107 1.00 0.00 N ATOM 167 CA MET A 17 -10.142 -4.162 1.975 1.00 0.00 C ATOM 168 C MET A 17 -9.157 -4.282 3.140 1.00 0.00 C ATOM 169 O MET A 17 -8.726 -3.301 3.752 1.00 0.00 O ATOM 170 CB MET A 17 -9.368 -4.101 0.662 1.00 0.00 C ATOM 171 CG MET A 17 -10.270 -4.286 -0.570 1.00 0.00 C ATOM 172 SD MET A 17 -11.476 -5.645 -0.433 1.00 0.00 S ATOM 173 CE MET A 17 -12.290 -5.467 -2.006 1.00 0.00 C ATOM 0 H MET A 17 -10.572 -2.114 1.914 1.00 0.00 H new ATOM 0 HA MET A 17 -10.782 -5.044 1.986 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.856 -3.141 0.591 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.599 -4.873 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.810 -3.356 -0.751 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.640 -4.464 -1.441 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.900 -6.349 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.926 -4.582 -1.988 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.543 -5.361 -2.792 1.00 0.00 H new ATOM 175 N THR A 18 -8.938 -5.539 3.481 1.00 0.00 N ATOM 176 CA THR A 18 -7.875 -5.937 4.417 1.00 0.00 C ATOM 177 C THR A 18 -6.622 -6.237 3.587 1.00 0.00 C ATOM 178 O THR A 18 -6.696 -6.611 2.414 1.00 0.00 O ATOM 179 CB THR A 18 -8.265 -7.197 5.208 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.391 -8.316 4.328 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.549 -7.002 6.026 1.00 0.00 C ATOM 0 H THR A 18 -9.486 -6.321 3.123 1.00 0.00 H new ATOM 0 HA THR A 18 -7.704 -5.133 5.133 1.00 0.00 H new ATOM 0 HB THR A 18 -7.464 -7.392 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.193 -8.209 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.780 -7.921 6.565 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.407 -6.189 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.373 -6.757 5.356 1.00 0.00 H new ATOM 184 N GLN A 19 -5.463 -6.154 4.237 1.00 0.00 N ATOM 185 CA GLN A 19 -4.196 -6.499 3.578 1.00 0.00 C ATOM 186 C GLN A 19 -4.159 -7.937 3.033 1.00 0.00 C ATOM 187 O GLN A 19 -3.643 -8.152 1.946 1.00 0.00 O ATOM 188 CB GLN A 19 -3.016 -6.312 4.505 1.00 0.00 C ATOM 189 CG GLN A 19 -2.204 -5.141 3.959 1.00 0.00 C ATOM 190 CD GLN A 19 -1.112 -4.674 4.911 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.600 -5.395 5.740 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.794 -3.401 4.852 1.00 0.00 N ATOM 0 H GLN A 19 -5.370 -5.855 5.208 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.127 -5.812 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.352 -6.108 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.410 -7.217 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.751 -5.432 3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.875 -4.308 3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.228 -2.799 4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.113 -3.015 5.506 1.00 0.00 H new ATOM 194 N THR A 20 -4.760 -8.855 3.780 1.00 0.00 N ATOM 195 CA THR A 20 -4.964 -10.261 3.382 1.00 0.00 C ATOM 196 C THR A 20 -5.692 -10.382 2.035 1.00 0.00 C ATOM 197 O THR A 20 -5.183 -10.983 1.089 1.00 0.00 O ATOM 198 CB THR A 20 -5.807 -10.910 4.484 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.362 -10.471 5.777 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.780 -12.437 4.404 1.00 0.00 C ATOM 0 H THR A 20 -5.133 -8.646 4.706 1.00 0.00 H new ATOM 0 HA THR A 20 -3.998 -10.752 3.260 1.00 0.00 H new ATOM 0 HB THR A 20 -6.839 -10.594 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.478 -10.850 5.965 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.391 -12.854 5.204 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.176 -12.758 3.440 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.754 -12.789 4.510 1.00 0.00 H new ATOM 203 N GLU A 21 -6.785 -9.629 1.918 1.00 0.00 N ATOM 204 CA GLU A 21 -7.597 -9.506 0.690 1.00 0.00 C ATOM 205 C GLU A 21 -6.775 -8.941 -0.486 1.00 0.00 C ATOM 206 O GLU A 21 -6.667 -9.565 -1.538 1.00 0.00 O ATOM 207 CB GLU A 21 -8.805 -8.618 0.958 1.00 0.00 C ATOM 208 CG GLU A 21 -9.969 -9.430 1.528 1.00 0.00 C ATOM 209 CD GLU A 21 -11.135 -8.526 1.947 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.897 -7.662 2.818 1.00 0.00 O ATOM 211 OE2 GLU A 21 -12.253 -8.762 1.425 1.00 0.00 O ATOM 0 H GLU A 21 -7.147 -9.070 2.690 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.931 -10.505 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.532 -7.828 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.115 -8.132 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.313 -10.147 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.626 -10.005 2.388 1.00 0.00 H new ATOM 213 N LEU A 22 -6.028 -7.885 -0.183 1.00 0.00 N ATOM 214 CA LEU A 22 -5.131 -7.200 -1.124 1.00 0.00 C ATOM 215 C LEU A 22 -4.004 -8.142 -1.596 1.00 0.00 C ATOM 216 O LEU A 22 -3.840 -8.334 -2.801 1.00 0.00 O ATOM 217 CB LEU A 22 -4.650 -5.961 -0.372 1.00 0.00 C ATOM 218 CG LEU A 22 -3.626 -5.117 -1.135 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.200 -4.548 -2.443 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.155 -3.973 -0.249 1.00 0.00 C ATOM 0 H LEU A 22 -6.025 -7.466 0.747 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.619 -6.902 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.512 -5.338 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.212 -6.273 0.576 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.791 -5.767 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.437 -3.957 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.512 -5.368 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.059 -3.916 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.426 -3.370 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.007 -3.351 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.695 -4.377 0.653 1.00 0.00 H new ATOM 222 N ALA A 23 -3.382 -8.835 -0.646 1.00 0.00 N ATOM 223 CA ALA A 23 -2.376 -9.905 -0.850 1.00 0.00 C ATOM 224 C ALA A 23 -2.823 -10.983 -1.841 1.00 0.00 C ATOM 225 O ALA A 23 -2.143 -11.199 -2.844 1.00 0.00 O ATOM 226 CB ALA A 23 -2.028 -10.528 0.502 1.00 0.00 C ATOM 0 H ALA A 23 -3.567 -8.666 0.343 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.495 -9.442 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.288 -11.316 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.620 -9.762 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.927 -10.951 0.950 1.00 0.00 H new ATOM 228 N THR A 24 -4.019 -11.515 -1.612 1.00 0.00 N ATOM 229 CA THR A 24 -4.672 -12.510 -2.495 1.00 0.00 C ATOM 230 C THR A 24 -4.780 -11.976 -3.933 1.00 0.00 C ATOM 231 O THR A 24 -4.134 -12.489 -4.836 1.00 0.00 O ATOM 232 CB THR A 24 -6.045 -12.854 -1.881 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.830 -13.470 -0.610 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.902 -13.755 -2.770 1.00 0.00 C ATOM 0 H THR A 24 -4.582 -11.271 -0.797 1.00 0.00 H new ATOM 0 HA THR A 24 -4.077 -13.421 -2.562 1.00 0.00 H new ATOM 0 HB THR A 24 -6.604 -11.924 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.622 -12.782 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.853 -13.956 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.086 -13.258 -3.722 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.379 -14.695 -2.947 1.00 0.00 H new ATOM 237 N LYS A 25 -5.443 -10.825 -4.069 1.00 0.00 N ATOM 238 CA LYS A 25 -5.670 -10.148 -5.355 1.00 0.00 C ATOM 239 C LYS A 25 -4.391 -9.790 -6.119 1.00 0.00 C ATOM 240 O LYS A 25 -4.265 -10.071 -7.309 1.00 0.00 O ATOM 241 CB LYS A 25 -6.474 -8.891 -5.072 1.00 0.00 C ATOM 242 CG LYS A 25 -7.928 -9.109 -5.473 1.00 0.00 C ATOM 243 CD LYS A 25 -8.841 -8.106 -4.784 1.00 0.00 C ATOM 244 CE LYS A 25 -9.130 -8.568 -3.358 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.254 -7.782 -2.870 1.00 0.00 N ATOM 0 H LYS A 25 -5.846 -10.326 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.202 -10.843 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.413 -8.639 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.057 -8.049 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.029 -9.014 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.233 -10.122 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.372 -7.122 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.773 -8.006 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.367 -9.632 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.256 -8.425 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.968 -7.260 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.551 -7.108 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.046 -8.415 -2.640 1.00 0.00 H new ATOM 250 N ALA A 26 -3.444 -9.221 -5.378 1.00 0.00 N ATOM 251 CA ALA A 26 -2.104 -8.838 -5.868 1.00 0.00 C ATOM 252 C ALA A 26 -1.192 -10.020 -6.238 1.00 0.00 C ATOM 253 O ALA A 26 -0.143 -9.827 -6.851 1.00 0.00 O ATOM 254 CB ALA A 26 -1.424 -7.947 -4.815 1.00 0.00 C ATOM 0 H ALA A 26 -3.582 -9.004 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.258 -8.298 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.434 -7.659 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.026 -7.053 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.330 -8.497 -3.879 1.00 0.00 H new ATOM 256 N GLY A 27 -1.592 -11.235 -5.845 1.00 0.00 N ATOM 257 CA GLY A 27 -0.790 -12.470 -5.998 1.00 0.00 C ATOM 258 C GLY A 27 0.515 -12.435 -5.183 1.00 0.00 C ATOM 259 O GLY A 27 1.537 -12.986 -5.603 1.00 0.00 O ATOM 0 H GLY A 27 -2.497 -11.398 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.386 -13.327 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.552 -12.616 -7.052 1.00 0.00 H new ATOM 261 N VAL A 28 0.437 -11.834 -4.001 1.00 0.00 N ATOM 262 CA VAL A 28 1.594 -11.684 -3.094 1.00 0.00 C ATOM 263 C VAL A 28 1.185 -12.058 -1.659 1.00 0.00 C ATOM 264 O VAL A 28 0.058 -12.447 -1.364 1.00 0.00 O ATOM 265 CB VAL A 28 2.195 -10.275 -3.283 1.00 0.00 C ATOM 266 CG1 VAL A 28 1.347 -9.142 -2.699 1.00 0.00 C ATOM 267 CG2 VAL A 28 3.652 -10.162 -2.804 1.00 0.00 C ATOM 0 H VAL A 28 -0.426 -11.433 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 28 2.399 -12.378 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 28 2.190 -10.143 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.843 -8.188 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.368 -9.136 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.226 -9.294 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.011 -9.146 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.705 -10.400 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.274 -10.860 -3.364 1.00 0.00 H new ATOM 269 N LYS A 29 2.157 -11.937 -0.767 1.00 0.00 N ATOM 270 CA LYS A 29 1.990 -12.229 0.665 1.00 0.00 C ATOM 271 C LYS A 29 1.519 -10.991 1.414 1.00 0.00 C ATOM 272 O LYS A 29 1.836 -9.851 1.068 1.00 0.00 O ATOM 273 CB LYS A 29 3.306 -12.719 1.264 1.00 0.00 C ATOM 274 CG LYS A 29 3.818 -13.989 0.590 1.00 0.00 C ATOM 275 CD LYS A 29 5.254 -14.242 1.055 1.00 0.00 C ATOM 276 CE LYS A 29 5.926 -15.391 0.304 1.00 0.00 C ATOM 277 NZ LYS A 29 5.296 -16.674 0.643 1.00 0.00 N ATOM 0 H LYS A 29 3.099 -11.630 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 29 1.237 -13.011 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.057 -11.935 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.169 -12.907 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.182 -14.836 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.784 -13.882 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.840 -13.333 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.252 -14.464 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.857 -15.219 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.986 -15.424 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.768 -17.441 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.384 -16.845 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.290 -16.646 0.382 1.00 0.00 H new ATOM 282 N GLN A 30 0.848 -11.263 2.524 1.00 0.00 N ATOM 283 CA GLN A 30 0.370 -10.209 3.415 1.00 0.00 C ATOM 284 C GLN A 30 1.548 -9.485 4.082 1.00 0.00 C ATOM 285 O GLN A 30 1.633 -8.254 4.012 1.00 0.00 O ATOM 286 CB GLN A 30 -0.530 -10.846 4.469 1.00 0.00 C ATOM 287 CG GLN A 30 -1.542 -9.814 4.974 1.00 0.00 C ATOM 288 CD GLN A 30 -2.018 -10.220 6.368 1.00 0.00 C ATOM 289 OE1 GLN A 30 -2.908 -11.038 6.544 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.355 -9.685 7.364 1.00 0.00 N ATOM 0 H GLN A 30 0.620 -12.208 2.832 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.190 -9.469 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.052 -11.704 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.071 -11.216 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.086 -8.825 5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.389 -9.753 4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.618 -9.005 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.576 -9.949 8.324 1.00 0.00 H new ATOM 292 N GLN A 31 2.506 -10.281 4.570 1.00 0.00 N ATOM 293 CA GLN A 31 3.831 -9.855 5.060 1.00 0.00 C ATOM 294 C GLN A 31 4.502 -8.787 4.182 1.00 0.00 C ATOM 295 O GLN A 31 4.863 -7.716 4.664 1.00 0.00 O ATOM 296 CB GLN A 31 4.755 -11.074 5.178 1.00 0.00 C ATOM 297 CG GLN A 31 4.395 -12.043 6.318 1.00 0.00 C ATOM 298 CD GLN A 31 3.304 -13.083 6.019 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.411 -12.940 5.197 1.00 0.00 O ATOM 300 NE2 GLN A 31 3.391 -14.201 6.697 1.00 0.00 N ATOM 0 H GLN A 31 2.376 -11.290 4.639 1.00 0.00 H new ATOM 0 HA GLN A 31 3.665 -9.397 6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.736 -11.620 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.777 -10.726 5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.300 -12.574 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.077 -11.454 7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.135 -14.324 7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.715 -14.948 6.538 1.00 0.00 H new ATOM 302 N SER A 32 4.489 -9.038 2.874 1.00 0.00 N ATOM 303 CA SER A 32 5.035 -8.147 1.828 1.00 0.00 C ATOM 304 C SER A 32 4.411 -6.744 1.824 1.00 0.00 C ATOM 305 O SER A 32 5.119 -5.742 1.724 1.00 0.00 O ATOM 306 CB SER A 32 4.766 -8.803 0.481 1.00 0.00 C ATOM 307 OG SER A 32 5.278 -10.136 0.482 1.00 0.00 O ATOM 0 H SER A 32 4.087 -9.893 2.491 1.00 0.00 H new ATOM 0 HA SER A 32 6.098 -8.013 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.695 -8.815 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.234 -8.224 -0.316 1.00 0.00 H new ATOM 0 HG SER A 32 5.546 -10.384 -0.427 1.00 0.00 H new ATOM 310 N ILE A 33 3.093 -6.710 1.936 1.00 0.00 N ATOM 311 CA ILE A 33 2.326 -5.439 1.989 1.00 0.00 C ATOM 312 C ILE A 33 2.430 -4.773 3.378 1.00 0.00 C ATOM 313 O ILE A 33 2.510 -3.552 3.482 1.00 0.00 O ATOM 314 CB ILE A 33 0.873 -5.594 1.536 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.813 -6.411 0.238 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.271 -4.193 1.278 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.578 -6.922 -0.093 1.00 0.00 C ATOM 0 H ILE A 33 2.512 -7.546 1.994 1.00 0.00 H new ATOM 0 HA ILE A 33 2.792 -4.770 1.266 1.00 0.00 H new ATOM 0 HB ILE A 33 0.308 -6.109 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.171 -5.795 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.493 -7.259 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.765 -4.296 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.308 -3.606 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.845 -3.688 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.545 -7.490 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.931 -7.565 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.258 -6.078 -0.208 1.00 0.00 H new ATOM 319 N GLN A 34 2.512 -5.583 4.435 1.00 0.00 N ATOM 320 CA GLN A 34 2.804 -5.083 5.794 1.00 0.00 C ATOM 321 C GLN A 34 4.155 -4.367 5.855 1.00 0.00 C ATOM 322 O GLN A 34 4.292 -3.413 6.601 1.00 0.00 O ATOM 323 CB GLN A 34 2.862 -6.147 6.885 1.00 0.00 C ATOM 324 CG GLN A 34 1.625 -7.028 6.901 1.00 0.00 C ATOM 325 CD GLN A 34 1.606 -7.981 8.088 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.631 -9.195 7.940 1.00 0.00 O ATOM 327 NE2 GLN A 34 1.419 -7.444 9.279 1.00 0.00 N ATOM 0 H GLN A 34 2.381 -6.593 4.383 1.00 0.00 H new ATOM 0 HA GLN A 34 1.960 -4.420 5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.745 -6.768 6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.973 -5.663 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.735 -6.399 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.580 -7.603 5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.401 -6.430 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.292 -8.043 10.095 1.00 0.00 H new ATOM 329 N LEU A 35 5.141 -4.886 5.133 1.00 0.00 N ATOM 330 CA LEU A 35 6.452 -4.240 4.994 1.00 0.00 C ATOM 331 C LEU A 35 6.407 -2.811 4.409 1.00 0.00 C ATOM 332 O LEU A 35 7.227 -1.967 4.777 1.00 0.00 O ATOM 333 CB LEU A 35 7.354 -5.162 4.171 1.00 0.00 C ATOM 334 CG LEU A 35 7.890 -6.284 5.074 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.464 -7.392 4.215 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.927 -5.769 6.075 1.00 0.00 C ATOM 0 H LEU A 35 5.060 -5.767 4.625 1.00 0.00 H new ATOM 0 HA LEU A 35 6.857 -4.097 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.796 -5.586 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.182 -4.595 3.745 1.00 0.00 H new ATOM 0 HG LEU A 35 7.060 -6.677 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.844 -8.188 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.684 -7.790 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.277 -6.996 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.279 -6.596 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.769 -5.335 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.473 -5.009 6.711 1.00 0.00 H new ATOM 338 N ILE A 36 5.426 -2.561 3.544 1.00 0.00 N ATOM 339 CA ILE A 36 5.098 -1.189 3.085 1.00 0.00 C ATOM 340 C ILE A 36 4.460 -0.416 4.251 1.00 0.00 C ATOM 341 O ILE A 36 4.889 0.678 4.589 1.00 0.00 O ATOM 342 CB ILE A 36 4.111 -1.150 1.901 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.271 -2.268 0.846 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.097 0.227 1.249 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.692 -2.497 0.330 1.00 0.00 C ATOM 0 H ILE A 36 4.835 -3.286 3.138 1.00 0.00 H new ATOM 0 HA ILE A 36 6.034 -0.744 2.748 1.00 0.00 H new ATOM 0 HB ILE A 36 3.141 -1.355 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.905 -3.201 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.629 -2.035 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.393 0.228 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.793 0.974 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.095 0.465 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.687 -3.303 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.061 -1.584 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.342 -2.768 1.162 1.00 0.00 H new ATOM 347 N GLU A 37 3.417 -1.008 4.831 1.00 0.00 N ATOM 348 CA GLU A 37 2.654 -0.435 5.964 1.00 0.00 C ATOM 349 C GLU A 37 3.499 -0.109 7.222 1.00 0.00 C ATOM 350 O GLU A 37 3.171 0.808 7.964 1.00 0.00 O ATOM 351 CB GLU A 37 1.474 -1.357 6.285 1.00 0.00 C ATOM 352 CG GLU A 37 0.411 -0.692 7.176 1.00 0.00 C ATOM 353 CD GLU A 37 -0.073 0.655 6.625 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.531 0.652 5.462 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.071 1.656 7.350 1.00 0.00 O ATOM 0 H GLU A 37 3.064 -1.916 4.529 1.00 0.00 H new ATOM 0 HA GLU A 37 2.291 0.541 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.008 -1.679 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.846 -2.253 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.441 -1.364 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.822 -0.544 8.174 1.00 0.00 H new ATOM 357 N ALA A 38 4.520 -0.923 7.462 1.00 0.00 N ATOM 358 CA ALA A 38 5.545 -0.727 8.502 1.00 0.00 C ATOM 359 C ALA A 38 6.652 0.266 8.098 1.00 0.00 C ATOM 360 O ALA A 38 7.611 0.466 8.834 1.00 0.00 O ATOM 361 CB ALA A 38 6.124 -2.110 8.811 1.00 0.00 C ATOM 0 H ALA A 38 4.670 -1.774 6.920 1.00 0.00 H new ATOM 0 HA ALA A 38 5.085 -0.277 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.892 -2.020 9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.330 -2.766 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.564 -2.531 7.907 1.00 0.00 H new ATOM 363 N GLY A 39 6.493 0.888 6.922 1.00 0.00 N ATOM 364 CA GLY A 39 7.421 1.883 6.341 1.00 0.00 C ATOM 365 C GLY A 39 8.871 1.393 6.142 1.00 0.00 C ATOM 366 O GLY A 39 9.794 2.203 6.194 1.00 0.00 O ATOM 0 H GLY A 39 5.687 0.710 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.027 2.203 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.437 2.761 6.986 1.00 0.00 H new ATOM 368 N VAL A 40 9.024 0.123 5.772 1.00 0.00 N ATOM 369 CA VAL A 40 10.370 -0.498 5.625 1.00 0.00 C ATOM 370 C VAL A 40 10.754 -0.598 4.137 1.00 0.00 C ATOM 371 O VAL A 40 11.780 -0.062 3.715 1.00 0.00 O ATOM 372 CB VAL A 40 10.443 -1.869 6.335 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.836 -2.494 6.232 1.00 0.00 C ATOM 374 CG2 VAL A 40 10.078 -1.761 7.815 1.00 0.00 C ATOM 0 H VAL A 40 8.247 -0.506 5.566 1.00 0.00 H new ATOM 0 HA VAL A 40 11.100 0.146 6.116 1.00 0.00 H new ATOM 0 HB VAL A 40 9.720 -2.505 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.842 -3.456 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.093 -2.640 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.567 -1.832 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.141 -2.746 8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.770 -1.081 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.062 -1.379 7.912 1.00 0.00 H new ATOM 376 N THR A 41 9.936 -1.319 3.378 1.00 0.00 N ATOM 377 CA THR A 41 10.134 -1.553 1.932 1.00 0.00 C ATOM 378 C THR A 41 9.835 -0.272 1.132 1.00 0.00 C ATOM 379 O THR A 41 8.723 -0.021 0.668 1.00 0.00 O ATOM 380 CB THR A 41 9.254 -2.725 1.483 1.00 0.00 C ATOM 381 OG1 THR A 41 9.535 -3.851 2.306 1.00 0.00 O ATOM 382 CG2 THR A 41 9.510 -3.122 0.013 1.00 0.00 C ATOM 0 H THR A 41 9.099 -1.770 3.747 1.00 0.00 H new ATOM 0 HA THR A 41 11.175 -1.813 1.741 1.00 0.00 H new ATOM 0 HB THR A 41 8.214 -2.410 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.140 -4.654 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.863 -3.956 -0.257 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.296 -2.273 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.552 -3.418 -0.108 1.00 0.00 H new ATOM 385 N LYS A 42 10.889 0.518 1.034 1.00 0.00 N ATOM 386 CA LYS A 42 10.930 1.830 0.344 1.00 0.00 C ATOM 387 C LYS A 42 10.440 1.811 -1.103 1.00 0.00 C ATOM 388 O LYS A 42 9.925 2.799 -1.600 1.00 0.00 O ATOM 389 CB LYS A 42 12.369 2.346 0.317 1.00 0.00 C ATOM 390 CG LYS A 42 12.894 2.487 1.728 1.00 0.00 C ATOM 391 CD LYS A 42 14.345 2.951 1.709 1.00 0.00 C ATOM 392 CE LYS A 42 14.872 3.089 3.134 1.00 0.00 C ATOM 393 NZ LYS A 42 13.987 4.008 3.873 1.00 0.00 N ATOM 0 H LYS A 42 11.788 0.267 1.446 1.00 0.00 H new ATOM 0 HA LYS A 42 10.254 2.468 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.000 1.659 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.409 3.309 -0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.284 3.202 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.817 1.533 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.955 2.238 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.422 3.907 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.901 2.115 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.893 3.471 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.558 4.616 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.460 4.600 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.317 3.458 4.448 1.00 0.00 H new ATOM 398 N ARG A 43 10.893 0.792 -1.821 1.00 0.00 N ATOM 399 CA ARG A 43 10.424 0.569 -3.201 1.00 0.00 C ATOM 400 C ARG A 43 10.061 -0.910 -3.445 1.00 0.00 C ATOM 401 O ARG A 43 10.924 -1.788 -3.453 1.00 0.00 O ATOM 402 CB ARG A 43 11.389 1.156 -4.232 1.00 0.00 C ATOM 403 CG ARG A 43 12.859 0.775 -4.014 1.00 0.00 C ATOM 404 CD ARG A 43 13.602 0.672 -5.337 1.00 0.00 C ATOM 405 NE ARG A 43 12.964 -0.411 -6.117 1.00 0.00 N ATOM 406 CZ ARG A 43 12.204 -0.242 -7.202 1.00 0.00 C ATOM 407 NH1 ARG A 43 11.949 0.952 -7.713 1.00 0.00 N ATOM 408 NH2 ARG A 43 11.639 -1.303 -7.768 1.00 0.00 N ATOM 0 H ARG A 43 11.574 0.111 -1.486 1.00 0.00 H new ATOM 0 HA ARG A 43 9.494 1.121 -3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.085 0.826 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.302 2.242 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.340 1.520 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.916 -0.177 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.553 1.616 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.657 0.455 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 43 13.118 -1.368 -5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.338 1.787 -7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.363 1.037 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.788 -2.232 -7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.056 -1.189 -8.597 1.00 0.00 H new ATOM 411 N PRO A 44 8.749 -1.194 -3.370 1.00 0.00 N ATOM 412 CA PRO A 44 8.221 -2.519 -3.701 1.00 0.00 C ATOM 413 C PRO A 44 8.188 -2.754 -5.208 1.00 0.00 C ATOM 414 O PRO A 44 7.604 -1.988 -5.972 1.00 0.00 O ATOM 415 CB PRO A 44 6.814 -2.546 -3.106 1.00 0.00 C ATOM 416 CG PRO A 44 6.398 -1.072 -3.067 1.00 0.00 C ATOM 417 CD PRO A 44 7.703 -0.342 -2.769 1.00 0.00 C ATOM 0 HA PRO A 44 8.851 -3.312 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.133 -3.137 -3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.811 -2.988 -2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.966 -0.752 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.649 -0.886 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.707 0.657 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.855 -0.223 -1.696 1.00 0.00 H new ATOM 418 N ARG A 45 8.792 -3.865 -5.603 1.00 0.00 N ATOM 419 CA ARG A 45 8.659 -4.403 -6.973 1.00 0.00 C ATOM 420 C ARG A 45 7.205 -4.823 -7.245 1.00 0.00 C ATOM 421 O ARG A 45 6.640 -4.521 -8.300 1.00 0.00 O ATOM 422 CB ARG A 45 9.663 -5.549 -7.129 1.00 0.00 C ATOM 423 CG ARG A 45 10.031 -5.813 -8.594 1.00 0.00 C ATOM 424 CD ARG A 45 8.977 -6.652 -9.314 1.00 0.00 C ATOM 425 NE ARG A 45 9.173 -6.522 -10.765 1.00 0.00 N ATOM 426 CZ ARG A 45 8.355 -5.876 -11.609 1.00 0.00 C ATOM 427 NH1 ARG A 45 7.361 -5.114 -11.197 1.00 0.00 N ATOM 428 NH2 ARG A 45 8.626 -5.914 -12.904 1.00 0.00 N ATOM 0 H ARG A 45 9.389 -4.426 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 45 8.890 -3.645 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.567 -5.314 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.244 -6.456 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.152 -4.862 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.992 -6.325 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.059 -7.697 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.977 -6.319 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 45 10.003 -6.961 -11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.188 -4.996 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.765 -4.642 -11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.442 -6.427 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.019 -5.431 -13.566 1.00 0.00 H new ATOM 431 N PHE A 46 6.563 -5.395 -6.222 1.00 0.00 N ATOM 432 CA PHE A 46 5.107 -5.686 -6.229 1.00 0.00 C ATOM 433 C PHE A 46 4.147 -4.473 -6.182 1.00 0.00 C ATOM 434 O PHE A 46 2.931 -4.673 -6.138 1.00 0.00 O ATOM 435 CB PHE A 46 4.723 -6.755 -5.189 1.00 0.00 C ATOM 436 CG PHE A 46 5.403 -6.623 -3.818 1.00 0.00 C ATOM 437 CD1 PHE A 46 6.646 -7.262 -3.580 1.00 0.00 C ATOM 438 CD2 PHE A 46 4.791 -5.844 -2.816 1.00 0.00 C ATOM 439 CE1 PHE A 46 7.287 -7.081 -2.331 1.00 0.00 C ATOM 440 CE2 PHE A 46 5.422 -5.667 -1.574 1.00 0.00 C ATOM 441 CZ PHE A 46 6.674 -6.284 -1.339 1.00 0.00 C ATOM 0 H PHE A 46 7.030 -5.674 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 46 4.951 -6.088 -7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.643 -6.723 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.960 -7.737 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.098 -7.879 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.833 -5.381 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.240 -7.550 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.957 -5.066 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.167 -6.144 -0.389 1.00 0.00 H new ATOM 443 N LEU A 47 4.664 -3.258 -6.402 1.00 0.00 N ATOM 444 CA LEU A 47 3.837 -2.028 -6.481 1.00 0.00 C ATOM 445 C LEU A 47 2.709 -2.110 -7.531 1.00 0.00 C ATOM 446 O LEU A 47 1.551 -1.828 -7.218 1.00 0.00 O ATOM 447 CB LEU A 47 4.692 -0.749 -6.671 1.00 0.00 C ATOM 448 CG LEU A 47 5.130 -0.389 -8.115 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.578 1.070 -8.181 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.203 -1.322 -8.680 1.00 0.00 C ATOM 0 H LEU A 47 5.662 -3.091 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 47 3.348 -1.954 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.130 0.094 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.591 -0.851 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 47 4.256 -0.528 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.883 1.311 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.752 1.718 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.419 1.223 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.460 -1.010 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.092 -1.278 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.823 -2.343 -8.701 1.00 0.00 H new ATOM 452 N PHE A 48 3.056 -2.706 -8.672 1.00 0.00 N ATOM 453 CA PHE A 48 2.166 -2.902 -9.827 1.00 0.00 C ATOM 454 C PHE A 48 0.951 -3.761 -9.458 1.00 0.00 C ATOM 455 O PHE A 48 -0.194 -3.315 -9.527 1.00 0.00 O ATOM 456 CB PHE A 48 2.996 -3.573 -10.919 1.00 0.00 C ATOM 457 CG PHE A 48 2.593 -3.108 -12.306 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.424 -3.622 -12.906 1.00 0.00 C ATOM 459 CD2 PHE A 48 3.307 -2.038 -12.904 1.00 0.00 C ATOM 460 CE1 PHE A 48 0.938 -3.045 -14.101 1.00 0.00 C ATOM 461 CE2 PHE A 48 2.821 -1.461 -14.100 1.00 0.00 C ATOM 462 CZ PHE A 48 1.644 -1.964 -14.681 1.00 0.00 C ATOM 0 H PHE A 48 3.993 -3.079 -8.827 1.00 0.00 H new ATOM 0 HA PHE A 48 1.773 -1.945 -10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.052 -3.356 -10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.878 -4.654 -10.851 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.903 -4.453 -12.454 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.214 -1.667 -12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.040 -3.424 -14.566 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.350 -0.641 -14.563 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.270 -1.516 -15.590 1.00 0.00 H new ATOM 464 N GLU A 49 1.279 -4.867 -8.798 1.00 0.00 N ATOM 465 CA GLU A 49 0.325 -5.890 -8.315 1.00 0.00 C ATOM 466 C GLU A 49 -0.644 -5.325 -7.277 1.00 0.00 C ATOM 467 O GLU A 49 -1.853 -5.333 -7.514 1.00 0.00 O ATOM 468 CB GLU A 49 1.109 -7.089 -7.782 1.00 0.00 C ATOM 469 CG GLU A 49 1.769 -7.952 -8.870 1.00 0.00 C ATOM 470 CD GLU A 49 2.884 -7.233 -9.637 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.708 -6.571 -8.974 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.808 -7.237 -10.880 1.00 0.00 O ATOM 0 H GLU A 49 2.247 -5.095 -8.571 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.297 -6.218 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.882 -6.729 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.437 -7.716 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.179 -8.851 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.005 -8.276 -9.577 1.00 0.00 H new ATOM 474 N ILE A 50 -0.098 -4.673 -6.244 1.00 0.00 N ATOM 475 CA ILE A 50 -0.915 -4.014 -5.194 1.00 0.00 C ATOM 476 C ILE A 50 -1.851 -2.960 -5.802 1.00 0.00 C ATOM 477 O ILE A 50 -3.056 -2.977 -5.543 1.00 0.00 O ATOM 478 CB ILE A 50 -0.042 -3.418 -4.076 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.855 -4.508 -3.463 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.915 -2.749 -3.001 1.00 0.00 C ATOM 481 CD1 ILE A 50 1.958 -3.929 -2.560 1.00 0.00 C ATOM 0 H ILE A 50 0.908 -4.582 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.535 -4.783 -4.734 1.00 0.00 H new ATOM 0 HB ILE A 50 0.600 -2.650 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.240 -5.196 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.314 -5.088 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.277 -2.334 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.501 -1.949 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.587 -3.489 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.560 -4.742 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.593 -3.263 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.503 -3.372 -1.741 1.00 0.00 H new ATOM 483 N ALA A 51 -1.296 -2.104 -6.659 1.00 0.00 N ATOM 484 CA ALA A 51 -2.054 -1.042 -7.359 1.00 0.00 C ATOM 485 C ALA A 51 -3.245 -1.560 -8.168 1.00 0.00 C ATOM 486 O ALA A 51 -4.372 -1.149 -7.919 1.00 0.00 O ATOM 487 CB ALA A 51 -1.103 -0.278 -8.275 1.00 0.00 C ATOM 0 H ALA A 51 -0.304 -2.119 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.472 -0.392 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.651 0.507 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.306 0.169 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.671 -0.963 -9.004 1.00 0.00 H new ATOM 489 N MET A 52 -3.002 -2.560 -9.011 1.00 0.00 N ATOM 490 CA MET A 52 -4.053 -3.180 -9.836 1.00 0.00 C ATOM 491 C MET A 52 -5.092 -3.966 -9.037 1.00 0.00 C ATOM 492 O MET A 52 -6.292 -3.835 -9.279 1.00 0.00 O ATOM 493 CB MET A 52 -3.397 -4.001 -10.950 1.00 0.00 C ATOM 494 CG MET A 52 -2.724 -3.071 -11.955 1.00 0.00 C ATOM 495 SD MET A 52 -3.871 -1.883 -12.750 1.00 0.00 S ATOM 496 CE MET A 52 -2.708 -0.667 -13.317 1.00 0.00 C ATOM 0 H MET A 52 -2.077 -2.967 -9.146 1.00 0.00 H new ATOM 0 HA MET A 52 -4.640 -2.380 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.662 -4.684 -10.525 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.147 -4.612 -11.453 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.934 -2.516 -11.449 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.246 -3.672 -12.728 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.240 0.135 -13.828 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.166 -0.257 -12.465 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.003 -1.131 -14.006 1.00 0.00 H new ATOM 498 N ALA A 53 -4.625 -4.616 -7.972 1.00 0.00 N ATOM 499 CA ALA A 53 -5.481 -5.274 -6.958 1.00 0.00 C ATOM 500 C ALA A 53 -6.406 -4.275 -6.218 1.00 0.00 C ATOM 501 O ALA A 53 -7.593 -4.533 -6.045 1.00 0.00 O ATOM 502 CB ALA A 53 -4.557 -5.960 -5.949 1.00 0.00 C ATOM 0 H ALA A 53 -3.628 -4.708 -7.777 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.133 -5.988 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.156 -6.456 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.941 -6.698 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.915 -5.215 -5.479 1.00 0.00 H new ATOM 504 N LEU A 54 -5.858 -3.108 -5.896 1.00 0.00 N ATOM 505 CA LEU A 54 -6.561 -2.037 -5.151 1.00 0.00 C ATOM 506 C LEU A 54 -7.149 -0.939 -6.066 1.00 0.00 C ATOM 507 O LEU A 54 -7.640 0.086 -5.597 1.00 0.00 O ATOM 508 CB LEU A 54 -5.507 -1.487 -4.174 1.00 0.00 C ATOM 509 CG LEU A 54 -6.046 -0.845 -2.891 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.953 -1.800 -2.098 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.883 -0.401 -2.006 1.00 0.00 C ATOM 0 H LEU A 54 -4.899 -2.863 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.438 -2.426 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.839 -2.302 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.904 -0.747 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.646 0.015 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.310 -1.299 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.804 -2.089 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.389 -2.690 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.272 0.055 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.272 -1.266 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.274 0.325 -2.543 1.00 0.00 H new ATOM 513 N ASN A 55 -7.191 -1.236 -7.365 1.00 0.00 N ATOM 514 CA ASN A 55 -7.643 -0.342 -8.457 1.00 0.00 C ATOM 515 C ASN A 55 -7.145 1.109 -8.394 1.00 0.00 C ATOM 516 O ASN A 55 -7.859 2.074 -8.667 1.00 0.00 O ATOM 517 CB ASN A 55 -9.165 -0.448 -8.632 1.00 0.00 C ATOM 518 CG ASN A 55 -9.527 -1.752 -9.335 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.796 -1.813 -10.525 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.552 -2.843 -8.597 1.00 0.00 N ATOM 0 H ASN A 55 -6.898 -2.149 -7.712 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.152 -0.712 -9.357 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.654 -0.404 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.531 0.399 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.796 -3.739 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.327 -2.792 -7.603 1.00 0.00 H new ATOM 522 N CYS A 56 -5.835 1.213 -8.150 1.00 0.00 N ATOM 523 CA CYS A 56 -5.101 2.485 -8.068 1.00 0.00 C ATOM 524 C CYS A 56 -3.813 2.472 -8.918 1.00 0.00 C ATOM 525 O CYS A 56 -3.467 1.464 -9.544 1.00 0.00 O ATOM 526 CB CYS A 56 -4.812 2.861 -6.604 1.00 0.00 C ATOM 527 SG CYS A 56 -3.768 1.684 -5.681 1.00 0.00 S ATOM 0 H CYS A 56 -5.240 0.398 -8.000 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.744 3.257 -8.491 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.330 3.838 -6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.762 2.965 -6.080 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.598 2.115 -4.466 1.00 0.00 H new ATOM 529 N ASP A 57 -3.047 3.547 -8.834 1.00 0.00 N ATOM 530 CA ASP A 57 -1.886 3.812 -9.712 1.00 0.00 C ATOM 531 C ASP A 57 -0.554 3.349 -9.073 1.00 0.00 C ATOM 532 O ASP A 57 -0.222 3.836 -7.986 1.00 0.00 O ATOM 533 CB ASP A 57 -1.925 5.310 -10.054 1.00 0.00 C ATOM 534 CG ASP A 57 -0.847 5.839 -11.006 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.336 5.538 -10.748 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.234 6.579 -11.938 1.00 0.00 O ATOM 0 H ASP A 57 -3.206 4.283 -8.145 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.945 3.230 -10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.899 5.532 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.858 5.871 -9.122 1.00 0.00 H new