USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 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 19 GLN : amide:sc= 0.204 K(o=-0.61,f=-3.9!) USER MOD Set 1.2: A 30 GLN : amide:sc= -0.687 K(o=-0.61,f=0.46) USER MOD Set 1.3: A 34 GLN : amide:sc= -0.129 K(o=-0.61,f=-6.3!) USER MOD Set 2.1: A 18 THR OG1 : rot 108:sc= 0.0696 USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0273) USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0275) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0079 (180deg=-0.218) USER MOD Single : A 17 MET CE :methyl 171:sc= -0.0122 (180deg=-0.0346) USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.638 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0899) USER MOD Single : A 31 GLN : amide:sc= -1.03! C(o=-1!,f=-3.9!) USER MOD Single : A 32 SER OG : rot -170:sc= -0.243 USER MOD Single : A 41 THR OG1 : rot -150:sc= -3.2! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.582 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.375 5.925 0.776 1.00 0.00 N ATOM 29 CA LEU A 4 4.024 4.515 0.538 1.00 0.00 C ATOM 30 C LEU A 4 2.933 3.997 1.488 1.00 0.00 C ATOM 31 O LEU A 4 1.796 3.788 1.089 1.00 0.00 O ATOM 32 CB LEU A 4 5.238 3.594 0.747 1.00 0.00 C ATOM 33 CG LEU A 4 6.445 3.865 -0.146 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.429 4.804 0.546 1.00 0.00 C ATOM 35 CD2 LEU A 4 7.132 2.540 -0.440 1.00 0.00 C ATOM 0 HA LEU A 4 3.667 4.491 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.555 3.674 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.919 2.564 0.590 1.00 0.00 H new ATOM 0 HG LEU A 4 6.112 4.338 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.282 4.984 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.935 5.750 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.774 4.350 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.999 2.713 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.455 2.083 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.435 1.874 -0.948 1.00 0.00 H new ATOM 37 N SER A 5 3.249 4.121 2.778 1.00 0.00 N ATOM 38 CA SER A 5 2.459 3.555 3.880 1.00 0.00 C ATOM 39 C SER A 5 1.156 4.313 4.164 1.00 0.00 C ATOM 40 O SER A 5 0.065 3.755 4.061 1.00 0.00 O ATOM 41 CB SER A 5 3.366 3.570 5.114 1.00 0.00 C ATOM 42 OG SER A 5 4.006 4.831 5.277 1.00 0.00 O ATOM 0 H SER A 5 4.076 4.627 3.095 1.00 0.00 H new ATOM 0 HA SER A 5 2.142 2.549 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.777 3.343 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.120 2.788 5.022 1.00 0.00 H new ATOM 0 HG SER A 5 4.576 4.808 6.074 1.00 0.00 H new ATOM 45 N GLU A 6 1.325 5.631 4.196 1.00 0.00 N ATOM 46 CA GLU A 6 0.305 6.620 4.554 1.00 0.00 C ATOM 47 C GLU A 6 -0.910 6.569 3.617 1.00 0.00 C ATOM 48 O GLU A 6 -2.028 6.300 4.055 1.00 0.00 O ATOM 49 CB GLU A 6 0.965 8.003 4.492 1.00 0.00 C ATOM 50 CG GLU A 6 0.855 8.709 5.847 1.00 0.00 C ATOM 51 CD GLU A 6 1.634 10.030 5.836 1.00 0.00 C ATOM 52 OE1 GLU A 6 1.135 10.976 5.200 1.00 0.00 O ATOM 53 OE2 GLU A 6 2.729 10.043 6.431 1.00 0.00 O ATOM 0 H GLU A 6 2.219 6.063 3.962 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.070 6.404 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.014 7.900 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.487 8.607 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.193 8.901 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.241 8.060 6.633 1.00 0.00 H new ATOM 55 N ARG A 7 -0.631 6.701 2.315 1.00 0.00 N ATOM 56 CA ARG A 7 -1.731 6.700 1.342 1.00 0.00 C ATOM 57 C ARG A 7 -2.259 5.303 0.970 1.00 0.00 C ATOM 58 O ARG A 7 -3.439 5.168 0.657 1.00 0.00 O ATOM 59 CB ARG A 7 -1.387 7.550 0.120 1.00 0.00 C ATOM 60 CG ARG A 7 -2.678 8.166 -0.403 1.00 0.00 C ATOM 61 CD ARG A 7 -2.409 9.159 -1.527 1.00 0.00 C ATOM 62 NE ARG A 7 -3.691 9.544 -2.137 1.00 0.00 N ATOM 63 CZ ARG A 7 -3.881 10.481 -3.062 1.00 0.00 C ATOM 64 NH1 ARG A 7 -2.910 11.280 -3.483 1.00 0.00 N ATOM 65 NH2 ARG A 7 -5.099 10.685 -3.523 1.00 0.00 N ATOM 0 H ARG A 7 0.304 6.806 1.922 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.575 7.169 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.673 8.330 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.917 6.938 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.338 7.377 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.198 8.670 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.897 10.039 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.754 8.713 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.519 9.041 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.971 11.190 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.102 11.985 -4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.878 10.128 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.263 11.399 -4.232 1.00 0.00 H new ATOM 68 N LEU A 8 -1.409 4.288 1.132 1.00 0.00 N ATOM 69 CA LEU A 8 -1.796 2.869 1.020 1.00 0.00 C ATOM 70 C LEU A 8 -2.919 2.516 2.008 1.00 0.00 C ATOM 71 O LEU A 8 -4.032 2.202 1.601 1.00 0.00 O ATOM 72 CB LEU A 8 -0.567 1.977 1.281 1.00 0.00 C ATOM 73 CG LEU A 8 -0.874 0.478 1.135 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.971 0.097 -0.342 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.238 -0.316 1.802 1.00 0.00 C ATOM 0 H LEU A 8 -0.421 4.423 1.347 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.170 2.695 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.227 2.249 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.191 2.170 2.286 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.829 0.254 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.189 -0.967 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.769 0.671 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.025 0.316 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.032 -1.382 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.189 -0.085 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.291 -0.051 2.858 1.00 0.00 H new ATOM 77 N LYS A 9 -2.596 2.713 3.291 1.00 0.00 N ATOM 78 CA LYS A 9 -3.481 2.404 4.429 1.00 0.00 C ATOM 79 C LYS A 9 -4.895 3.005 4.233 1.00 0.00 C ATOM 80 O LYS A 9 -5.871 2.274 4.103 1.00 0.00 O ATOM 81 CB LYS A 9 -2.784 2.955 5.668 1.00 0.00 C ATOM 82 CG LYS A 9 -3.488 2.636 6.975 1.00 0.00 C ATOM 83 CD LYS A 9 -2.758 3.365 8.110 1.00 0.00 C ATOM 84 CE LYS A 9 -3.483 3.198 9.453 1.00 0.00 C ATOM 85 NZ LYS A 9 -3.382 1.810 9.911 1.00 0.00 N ATOM 0 H LYS A 9 -1.696 3.099 3.577 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.643 1.330 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.770 2.556 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.697 4.037 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.530 2.951 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.488 1.561 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.742 2.980 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.678 4.425 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.048 3.867 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.531 3.479 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.802 1.726 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.891 1.189 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.381 1.529 9.949 1.00 0.00 H new ATOM 90 N LYS A 10 -4.913 4.302 3.941 1.00 0.00 N ATOM 91 CA LYS A 10 -6.157 5.081 3.783 1.00 0.00 C ATOM 92 C LYS A 10 -7.044 4.667 2.605 1.00 0.00 C ATOM 93 O LYS A 10 -8.237 4.452 2.765 1.00 0.00 O ATOM 94 CB LYS A 10 -5.801 6.576 3.736 1.00 0.00 C ATOM 95 CG LYS A 10 -5.317 7.050 5.106 1.00 0.00 C ATOM 96 CD LYS A 10 -6.461 7.128 6.128 1.00 0.00 C ATOM 97 CE LYS A 10 -5.960 7.499 7.526 1.00 0.00 C ATOM 98 NZ LYS A 10 -5.324 6.330 8.147 1.00 0.00 N ATOM 0 H LYS A 10 -4.066 4.854 3.805 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.778 4.862 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.026 6.749 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.673 7.155 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.549 6.370 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.853 8.031 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.192 7.866 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.975 6.168 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.248 8.322 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.791 7.844 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.075 6.552 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.983 5.526 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.462 6.083 7.620 1.00 0.00 H new ATOM 103 N ARG A 11 -6.412 4.430 1.461 1.00 0.00 N ATOM 104 CA ARG A 11 -7.118 3.945 0.259 1.00 0.00 C ATOM 105 C ARG A 11 -7.698 2.527 0.393 1.00 0.00 C ATOM 106 O ARG A 11 -8.841 2.300 0.021 1.00 0.00 O ATOM 107 CB ARG A 11 -6.141 4.082 -0.917 1.00 0.00 C ATOM 108 CG ARG A 11 -6.689 3.700 -2.289 1.00 0.00 C ATOM 109 CD ARG A 11 -7.603 4.757 -2.912 1.00 0.00 C ATOM 110 NE ARG A 11 -8.026 4.218 -4.211 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.266 3.896 -4.576 1.00 0.00 C ATOM 112 NH1 ARG A 11 -10.261 3.893 -3.682 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.509 3.414 -5.782 1.00 0.00 N ATOM 0 H ARG A 11 -5.409 4.563 1.331 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.008 4.553 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.797 5.116 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.267 3.464 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.853 3.514 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.241 2.764 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.464 4.953 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.076 5.703 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.294 4.075 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.074 4.139 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.207 3.645 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.743 3.285 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.462 3.171 -6.051 1.00 0.00 H new ATOM 116 N ARG A 12 -6.963 1.643 1.087 1.00 0.00 N ATOM 117 CA ARG A 12 -7.496 0.321 1.485 1.00 0.00 C ATOM 118 C ARG A 12 -8.809 0.439 2.273 1.00 0.00 C ATOM 119 O ARG A 12 -9.812 -0.137 1.871 1.00 0.00 O ATOM 120 CB ARG A 12 -6.496 -0.488 2.314 1.00 0.00 C ATOM 121 CG ARG A 12 -5.839 -1.575 1.479 1.00 0.00 C ATOM 122 CD ARG A 12 -5.245 -2.685 2.363 1.00 0.00 C ATOM 123 NE ARG A 12 -4.140 -2.188 3.188 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.109 -2.111 4.528 1.00 0.00 C ATOM 125 NH1 ARG A 12 -5.105 -2.539 5.283 1.00 0.00 N ATOM 126 NH2 ARG A 12 -3.223 -1.318 5.114 1.00 0.00 N ATOM 0 H ARG A 12 -6.003 1.814 1.385 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.685 -0.205 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.732 0.177 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.006 -0.939 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.573 -2.005 0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.052 -1.137 0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.024 -3.094 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.891 -3.501 1.733 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.308 -1.867 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.935 -2.945 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.044 -2.463 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.573 -0.773 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.191 -1.253 6.131 1.00 0.00 H new ATOM 129 N ILE A 13 -8.835 1.385 3.202 1.00 0.00 N ATOM 130 CA ILE A 13 -10.018 1.685 4.040 1.00 0.00 C ATOM 131 C ILE A 13 -11.202 2.132 3.167 1.00 0.00 C ATOM 132 O ILE A 13 -12.273 1.519 3.220 1.00 0.00 O ATOM 133 CB ILE A 13 -9.639 2.728 5.111 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.536 2.180 6.032 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.864 3.132 5.960 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.785 3.242 6.839 1.00 0.00 C ATOM 0 H ILE A 13 -8.032 1.980 3.408 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.342 0.783 4.559 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.270 3.612 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.982 1.466 6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.817 1.629 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.563 3.868 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.629 3.562 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.266 2.251 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.028 2.761 7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.304 3.944 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.487 3.779 7.477 1.00 0.00 H new ATOM 138 N ALA A 14 -10.966 3.096 2.273 1.00 0.00 N ATOM 139 CA ALA A 14 -11.979 3.627 1.333 1.00 0.00 C ATOM 140 C ALA A 14 -12.615 2.569 0.398 1.00 0.00 C ATOM 141 O ALA A 14 -13.779 2.684 0.028 1.00 0.00 O ATOM 142 CB ALA A 14 -11.368 4.754 0.508 1.00 0.00 C ATOM 0 H ALA A 14 -10.054 3.542 2.174 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.798 3.994 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.114 5.144 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.036 5.552 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.516 4.372 -0.055 1.00 0.00 H new ATOM 144 N LEU A 15 -11.819 1.578 0.010 1.00 0.00 N ATOM 145 CA LEU A 15 -12.257 0.425 -0.817 1.00 0.00 C ATOM 146 C LEU A 15 -12.879 -0.723 0.000 1.00 0.00 C ATOM 147 O LEU A 15 -13.393 -1.690 -0.558 1.00 0.00 O ATOM 148 CB LEU A 15 -11.018 -0.055 -1.569 1.00 0.00 C ATOM 149 CG LEU A 15 -11.332 -0.466 -3.016 1.00 0.00 C ATOM 150 CD1 LEU A 15 -11.734 0.743 -3.868 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.111 -1.141 -3.639 1.00 0.00 C ATOM 0 H LEU A 15 -10.830 1.539 0.259 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.052 0.746 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.270 0.738 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.581 -0.902 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.171 -1.162 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.949 0.416 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.622 1.210 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.917 1.465 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.339 -1.430 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.271 -0.447 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.851 -2.028 -3.061 1.00 0.00 H new ATOM 153 N LYS A 16 -12.872 -0.559 1.325 1.00 0.00 N ATOM 154 CA LYS A 16 -13.191 -1.578 2.358 1.00 0.00 C ATOM 155 C LYS A 16 -12.373 -2.870 2.167 1.00 0.00 C ATOM 156 O LYS A 16 -12.798 -4.000 2.418 1.00 0.00 O ATOM 157 CB LYS A 16 -14.695 -1.804 2.438 1.00 0.00 C ATOM 158 CG LYS A 16 -15.062 -2.400 3.794 1.00 0.00 C ATOM 159 CD LYS A 16 -16.563 -2.650 3.893 1.00 0.00 C ATOM 160 CE LYS A 16 -16.910 -3.320 5.216 1.00 0.00 C ATOM 161 NZ LYS A 16 -16.442 -4.718 5.191 1.00 0.00 N ATOM 0 H LYS A 16 -12.630 0.340 1.743 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.884 -1.196 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.221 -0.861 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.013 -2.474 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.523 -3.336 3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.749 -1.723 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.101 -1.706 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.887 -3.280 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.444 -2.783 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.987 -3.288 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.902 -5.252 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.683 -5.148 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.411 -4.741 5.324 1.00 0.00 H new ATOM 166 N MET A 17 -11.099 -2.629 1.929 1.00 0.00 N ATOM 167 CA MET A 17 -10.121 -3.676 1.620 1.00 0.00 C ATOM 168 C MET A 17 -9.084 -3.750 2.735 1.00 0.00 C ATOM 169 O MET A 17 -8.640 -2.749 3.299 1.00 0.00 O ATOM 170 CB MET A 17 -9.474 -3.351 0.262 1.00 0.00 C ATOM 171 CG MET A 17 -8.700 -4.550 -0.292 1.00 0.00 C ATOM 172 SD MET A 17 -7.942 -4.226 -1.914 1.00 0.00 S ATOM 173 CE MET A 17 -9.004 -5.210 -2.947 1.00 0.00 C ATOM 0 H MET A 17 -10.700 -1.691 1.943 1.00 0.00 H new ATOM 0 HA MET A 17 -10.603 -4.651 1.553 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.246 -3.055 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.800 -2.501 0.373 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.921 -4.830 0.417 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.375 -5.402 -0.377 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.785 -5.004 -3.995 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.834 -6.267 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.045 -4.963 -2.739 1.00 0.00 H new ATOM 175 N THR A 18 -8.826 -4.989 3.113 1.00 0.00 N ATOM 176 CA THR A 18 -7.766 -5.350 4.069 1.00 0.00 C ATOM 177 C THR A 18 -6.612 -5.995 3.314 1.00 0.00 C ATOM 178 O THR A 18 -6.771 -6.525 2.214 1.00 0.00 O ATOM 179 CB THR A 18 -8.274 -6.313 5.138 1.00 0.00 C ATOM 180 OG1 THR A 18 -9.165 -7.271 4.554 1.00 0.00 O ATOM 181 CG2 THR A 18 -8.899 -5.575 6.322 1.00 0.00 C ATOM 0 H THR A 18 -9.349 -5.793 2.766 1.00 0.00 H new ATOM 0 HA THR A 18 -7.435 -4.440 4.569 1.00 0.00 H new ATOM 0 HB THR A 18 -7.422 -6.857 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.727 -8.147 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.247 -6.299 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.155 -4.922 6.778 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.742 -4.977 5.974 1.00 0.00 H new ATOM 184 N GLN A 19 -5.428 -5.918 3.913 1.00 0.00 N ATOM 185 CA GLN A 19 -4.220 -6.486 3.298 1.00 0.00 C ATOM 186 C GLN A 19 -4.266 -7.962 2.894 1.00 0.00 C ATOM 187 O GLN A 19 -3.695 -8.331 1.884 1.00 0.00 O ATOM 188 CB GLN A 19 -3.043 -6.285 4.222 1.00 0.00 C ATOM 189 CG GLN A 19 -2.178 -5.152 3.675 1.00 0.00 C ATOM 190 CD GLN A 19 -0.987 -5.002 4.613 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.165 -5.886 4.751 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.986 -3.935 5.381 1.00 0.00 N ATOM 0 H GLN A 19 -5.273 -5.472 4.817 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.131 -5.941 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.389 -6.045 5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.460 -7.203 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.844 -5.377 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.747 -4.224 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.688 -3.207 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.284 -3.835 6.114 1.00 0.00 H new ATOM 194 N THR A 20 -4.962 -8.787 3.681 1.00 0.00 N ATOM 195 CA THR A 20 -5.254 -10.198 3.350 1.00 0.00 C ATOM 196 C THR A 20 -5.939 -10.364 1.984 1.00 0.00 C ATOM 197 O THR A 20 -5.490 -11.109 1.115 1.00 0.00 O ATOM 198 CB THR A 20 -6.176 -10.766 4.438 1.00 0.00 C ATOM 199 OG1 THR A 20 -7.324 -9.926 4.606 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.461 -10.946 5.780 1.00 0.00 C ATOM 0 H THR A 20 -5.347 -8.497 4.580 1.00 0.00 H new ATOM 0 HA THR A 20 -4.304 -10.731 3.301 1.00 0.00 H new ATOM 0 HB THR A 20 -6.490 -11.754 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.904 -10.300 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.159 -11.350 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.625 -11.634 5.657 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.089 -9.982 6.126 1.00 0.00 H new ATOM 203 N GLU A 21 -6.919 -9.496 1.784 1.00 0.00 N ATOM 204 CA GLU A 21 -7.683 -9.356 0.529 1.00 0.00 C ATOM 205 C GLU A 21 -6.807 -8.894 -0.638 1.00 0.00 C ATOM 206 O GLU A 21 -6.800 -9.487 -1.716 1.00 0.00 O ATOM 207 CB GLU A 21 -8.791 -8.330 0.751 1.00 0.00 C ATOM 208 CG GLU A 21 -9.962 -8.946 1.505 1.00 0.00 C ATOM 209 CD GLU A 21 -11.220 -9.026 0.620 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.661 -7.953 0.172 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.737 -10.156 0.508 1.00 0.00 O ATOM 0 H GLU A 21 -7.223 -8.844 2.507 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.088 -10.334 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.399 -7.481 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.134 -7.946 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.692 -9.945 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.177 -8.352 2.394 1.00 0.00 H new ATOM 213 N LEU A 22 -6.012 -7.867 -0.343 1.00 0.00 N ATOM 214 CA LEU A 22 -5.096 -7.239 -1.287 1.00 0.00 C ATOM 215 C LEU A 22 -3.997 -8.207 -1.744 1.00 0.00 C ATOM 216 O LEU A 22 -3.836 -8.419 -2.944 1.00 0.00 O ATOM 217 CB LEU A 22 -4.580 -6.002 -0.545 1.00 0.00 C ATOM 218 CG LEU A 22 -3.551 -5.206 -1.339 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.125 -4.681 -2.670 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.058 -4.055 -0.476 1.00 0.00 C ATOM 0 H LEU A 22 -5.988 -7.440 0.583 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.573 -6.953 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.423 -5.354 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.137 -6.313 0.401 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.722 -5.865 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.356 -4.120 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.450 -5.522 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.975 -4.030 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.320 -3.475 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.898 -3.414 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.602 -4.450 0.432 1.00 0.00 H new ATOM 222 N ALA A 23 -3.398 -8.893 -0.773 1.00 0.00 N ATOM 223 CA ALA A 23 -2.433 -9.992 -0.951 1.00 0.00 C ATOM 224 C ALA A 23 -2.906 -11.052 -1.963 1.00 0.00 C ATOM 225 O ALA A 23 -2.238 -11.277 -2.967 1.00 0.00 O ATOM 226 CB ALA A 23 -2.154 -10.653 0.399 1.00 0.00 C ATOM 0 H ALA A 23 -3.577 -8.693 0.211 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.521 -9.554 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.440 -11.466 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.740 -9.915 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.083 -11.050 0.809 1.00 0.00 H new ATOM 228 N THR A 24 -4.134 -11.503 -1.742 1.00 0.00 N ATOM 229 CA THR A 24 -4.806 -12.535 -2.555 1.00 0.00 C ATOM 230 C THR A 24 -4.961 -12.071 -4.015 1.00 0.00 C ATOM 231 O THR A 24 -4.319 -12.632 -4.906 1.00 0.00 O ATOM 232 CB THR A 24 -6.136 -12.882 -1.871 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.838 -13.461 -0.600 1.00 0.00 O ATOM 234 CG2 THR A 24 -7.000 -13.854 -2.675 1.00 0.00 C ATOM 0 H THR A 24 -4.713 -11.159 -0.976 1.00 0.00 H new ATOM 0 HA THR A 24 -4.206 -13.443 -2.612 1.00 0.00 H new ATOM 0 HB THR A 24 -6.712 -11.961 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.699 -12.749 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.924 -14.054 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.237 -13.414 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.456 -14.787 -2.823 1.00 0.00 H new ATOM 237 N LYS A 25 -5.626 -10.922 -4.197 1.00 0.00 N ATOM 238 CA LYS A 25 -5.801 -10.325 -5.531 1.00 0.00 C ATOM 239 C LYS A 25 -4.488 -10.020 -6.282 1.00 0.00 C ATOM 240 O LYS A 25 -4.336 -10.387 -7.435 1.00 0.00 O ATOM 241 CB LYS A 25 -6.649 -9.058 -5.433 1.00 0.00 C ATOM 242 CG LYS A 25 -8.140 -9.382 -5.531 1.00 0.00 C ATOM 243 CD LYS A 25 -8.972 -8.100 -5.548 1.00 0.00 C ATOM 244 CE LYS A 25 -8.900 -7.342 -6.877 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.915 -7.854 -7.801 1.00 0.00 N ATOM 0 H LYS A 25 -6.051 -10.387 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.309 -11.086 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.445 -8.553 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.371 -8.368 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.333 -9.959 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.438 -10.004 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.012 -8.349 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.632 -7.445 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.056 -6.277 -6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.908 -7.453 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.859 -7.334 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.748 -8.866 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.859 -7.726 -7.385 1.00 0.00 H new ATOM 250 N ALA A 26 -3.537 -9.436 -5.550 1.00 0.00 N ATOM 251 CA ALA A 26 -2.198 -9.095 -6.063 1.00 0.00 C ATOM 252 C ALA A 26 -1.245 -10.279 -6.364 1.00 0.00 C ATOM 253 O ALA A 26 -0.205 -10.081 -6.981 1.00 0.00 O ATOM 254 CB ALA A 26 -1.525 -8.133 -5.094 1.00 0.00 C ATOM 0 H ALA A 26 -3.672 -9.181 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.382 -8.646 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.533 -7.876 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.125 -7.228 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.434 -8.606 -4.116 1.00 0.00 H new ATOM 256 N GLY A 27 -1.579 -11.473 -5.867 1.00 0.00 N ATOM 257 CA GLY A 27 -0.721 -12.672 -5.944 1.00 0.00 C ATOM 258 C GLY A 27 0.562 -12.552 -5.093 1.00 0.00 C ATOM 259 O GLY A 27 1.639 -13.000 -5.498 1.00 0.00 O ATOM 0 H GLY A 27 -2.465 -11.643 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.290 -13.541 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.445 -12.849 -6.984 1.00 0.00 H new ATOM 261 N VAL A 28 0.421 -11.907 -3.943 1.00 0.00 N ATOM 262 CA VAL A 28 1.498 -11.746 -2.940 1.00 0.00 C ATOM 263 C VAL A 28 1.039 -12.170 -1.545 1.00 0.00 C ATOM 264 O VAL A 28 -0.078 -12.634 -1.325 1.00 0.00 O ATOM 265 CB VAL A 28 2.065 -10.311 -2.919 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.098 -10.102 -4.029 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.025 -9.192 -2.867 1.00 0.00 C ATOM 0 H VAL A 28 -0.456 -11.468 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 28 2.306 -12.411 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 28 2.573 -10.227 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.477 -9.081 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.923 -10.801 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.630 -10.275 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.530 -8.226 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.380 -9.254 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.423 -9.297 -1.965 1.00 0.00 H new ATOM 269 N LYS A 29 1.938 -11.958 -0.580 1.00 0.00 N ATOM 270 CA LYS A 29 1.679 -12.254 0.836 1.00 0.00 C ATOM 271 C LYS A 29 1.350 -10.979 1.597 1.00 0.00 C ATOM 272 O LYS A 29 1.810 -9.877 1.289 1.00 0.00 O ATOM 273 CB LYS A 29 2.875 -12.991 1.463 1.00 0.00 C ATOM 274 CG LYS A 29 3.029 -14.438 0.968 1.00 0.00 C ATOM 275 CD LYS A 29 3.721 -14.552 -0.406 1.00 0.00 C ATOM 276 CE LYS A 29 3.696 -15.980 -0.964 1.00 0.00 C ATOM 277 NZ LYS A 29 2.331 -16.356 -1.377 1.00 0.00 N ATOM 0 H LYS A 29 2.867 -11.576 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 29 0.813 -12.913 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.789 -12.440 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.761 -12.996 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.602 -15.005 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.043 -14.899 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.231 -13.882 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.755 -14.219 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.372 -16.055 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.057 -16.677 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.364 -17.243 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.737 -16.487 -0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.928 -15.603 -1.971 1.00 0.00 H new ATOM 282 N GLN A 30 0.550 -11.161 2.639 1.00 0.00 N ATOM 283 CA GLN A 30 0.097 -10.051 3.502 1.00 0.00 C ATOM 284 C GLN A 30 1.289 -9.341 4.178 1.00 0.00 C ATOM 285 O GLN A 30 1.427 -8.123 4.087 1.00 0.00 O ATOM 286 CB GLN A 30 -0.904 -10.659 4.502 1.00 0.00 C ATOM 287 CG GLN A 30 -1.715 -9.626 5.292 1.00 0.00 C ATOM 288 CD GLN A 30 -1.010 -9.172 6.568 1.00 0.00 C ATOM 289 OE1 GLN A 30 -0.602 -9.947 7.422 1.00 0.00 O ATOM 290 NE2 GLN A 30 -0.846 -7.876 6.721 1.00 0.00 N ATOM 0 H GLN A 30 0.192 -12.074 2.919 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.394 -9.266 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.593 -11.307 3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.360 -11.290 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.906 -8.759 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.685 -10.052 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.187 -7.231 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.378 -7.516 7.553 1.00 0.00 H new ATOM 292 N GLN A 31 2.253 -10.159 4.609 1.00 0.00 N ATOM 293 CA GLN A 31 3.558 -9.728 5.136 1.00 0.00 C ATOM 294 C GLN A 31 4.351 -8.835 4.160 1.00 0.00 C ATOM 295 O GLN A 31 4.875 -7.798 4.561 1.00 0.00 O ATOM 296 CB GLN A 31 4.419 -10.947 5.509 1.00 0.00 C ATOM 297 CG GLN A 31 3.845 -11.799 6.650 1.00 0.00 C ATOM 298 CD GLN A 31 2.531 -12.503 6.313 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.277 -12.954 5.198 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.561 -12.383 7.197 1.00 0.00 N ATOM 0 H GLN A 31 2.147 -11.173 4.602 1.00 0.00 H new ATOM 0 HA GLN A 31 3.337 -9.130 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.540 -11.576 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.413 -10.602 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.583 -12.550 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.689 -11.161 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.760 -12.010 8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.611 -12.663 6.953 1.00 0.00 H new ATOM 302 N SER A 32 4.305 -9.167 2.870 1.00 0.00 N ATOM 303 CA SER A 32 4.969 -8.413 1.785 1.00 0.00 C ATOM 304 C SER A 32 4.470 -6.963 1.734 1.00 0.00 C ATOM 305 O SER A 32 5.264 -6.025 1.653 1.00 0.00 O ATOM 306 CB SER A 32 4.625 -9.052 0.443 1.00 0.00 C ATOM 307 OG SER A 32 4.886 -10.451 0.449 1.00 0.00 O ATOM 0 H SER A 32 3.796 -9.984 2.534 1.00 0.00 H new ATOM 0 HA SER A 32 6.042 -8.431 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.573 -8.878 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.205 -8.576 -0.347 1.00 0.00 H new ATOM 0 HG SER A 32 4.807 -10.802 -0.462 1.00 0.00 H new ATOM 310 N ILE A 33 3.152 -6.812 1.795 1.00 0.00 N ATOM 311 CA ILE A 33 2.489 -5.490 1.770 1.00 0.00 C ATOM 312 C ILE A 33 2.687 -4.725 3.102 1.00 0.00 C ATOM 313 O ILE A 33 2.812 -3.500 3.072 1.00 0.00 O ATOM 314 CB ILE A 33 1.002 -5.633 1.414 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.842 -6.539 0.190 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.405 -4.239 1.110 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.556 -7.128 0.113 1.00 0.00 C ATOM 0 H ILE A 33 2.503 -7.596 1.863 1.00 0.00 H new ATOM 0 HA ILE A 33 2.963 -4.894 0.990 1.00 0.00 H new ATOM 0 HB ILE A 33 0.474 -6.078 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.048 -5.969 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.575 -7.344 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.650 -4.342 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.507 -3.600 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.937 -3.791 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.634 -7.766 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.752 -7.719 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.287 -6.322 0.044 1.00 0.00 H new ATOM 319 N GLN A 34 2.790 -5.446 4.222 1.00 0.00 N ATOM 320 CA GLN A 34 3.140 -4.830 5.517 1.00 0.00 C ATOM 321 C GLN A 34 4.433 -4.026 5.446 1.00 0.00 C ATOM 322 O GLN A 34 4.502 -2.909 5.940 1.00 0.00 O ATOM 323 CB GLN A 34 3.347 -5.824 6.663 1.00 0.00 C ATOM 324 CG GLN A 34 2.065 -6.551 7.029 1.00 0.00 C ATOM 325 CD GLN A 34 1.159 -5.688 7.909 1.00 0.00 C ATOM 326 OE1 GLN A 34 0.660 -4.636 7.559 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.891 -6.184 9.101 1.00 0.00 N ATOM 0 H GLN A 34 2.638 -6.454 4.264 1.00 0.00 H new ATOM 0 HA GLN A 34 2.272 -4.203 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.107 -6.552 6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.725 -5.294 7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.532 -6.829 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.307 -7.476 7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.311 -7.067 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.264 -5.685 9.732 1.00 0.00 H new ATOM 329 N LEU A 35 5.382 -4.554 4.694 1.00 0.00 N ATOM 330 CA LEU A 35 6.654 -3.878 4.395 1.00 0.00 C ATOM 331 C LEU A 35 6.532 -2.483 3.755 1.00 0.00 C ATOM 332 O LEU A 35 7.338 -1.602 4.024 1.00 0.00 O ATOM 333 CB LEU A 35 7.466 -4.840 3.550 1.00 0.00 C ATOM 334 CG LEU A 35 8.158 -5.890 4.429 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.738 -6.979 3.539 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.264 -5.270 5.298 1.00 0.00 C ATOM 0 H LEU A 35 5.300 -5.475 4.264 1.00 0.00 H new ATOM 0 HA LEU A 35 7.153 -3.648 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.816 -5.335 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.213 -4.288 2.979 1.00 0.00 H new ATOM 0 HG LEU A 35 7.416 -6.315 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.232 -7.729 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.936 -7.449 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.462 -6.541 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.728 -6.047 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.017 -4.812 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.832 -4.511 5.950 1.00 0.00 H new ATOM 338 N ILE A 36 5.442 -2.271 3.021 1.00 0.00 N ATOM 339 CA ILE A 36 5.069 -0.954 2.452 1.00 0.00 C ATOM 340 C ILE A 36 4.370 -0.134 3.539 1.00 0.00 C ATOM 341 O ILE A 36 4.841 0.933 3.921 1.00 0.00 O ATOM 342 CB ILE A 36 4.126 -1.098 1.220 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.522 -2.198 0.214 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.861 0.256 0.548 1.00 0.00 C ATOM 345 CD1 ILE A 36 6.017 -2.289 -0.127 1.00 0.00 C ATOM 0 H ILE A 36 4.777 -3.011 2.795 1.00 0.00 H new ATOM 0 HA ILE A 36 5.977 -0.455 2.112 1.00 0.00 H new ATOM 0 HB ILE A 36 3.182 -1.456 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.201 -3.160 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.968 -2.035 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.200 0.115 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.391 0.931 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.804 0.685 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.179 -3.096 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.349 -1.346 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.586 -2.490 0.781 1.00 0.00 H new ATOM 347 N GLU A 37 3.330 -0.747 4.112 1.00 0.00 N ATOM 348 CA GLU A 37 2.466 -0.197 5.172 1.00 0.00 C ATOM 349 C GLU A 37 3.217 0.318 6.422 1.00 0.00 C ATOM 350 O GLU A 37 2.802 1.287 7.049 1.00 0.00 O ATOM 351 CB GLU A 37 1.459 -1.297 5.539 1.00 0.00 C ATOM 352 CG GLU A 37 0.195 -0.812 6.251 1.00 0.00 C ATOM 353 CD GLU A 37 0.388 -0.384 7.708 1.00 0.00 C ATOM 354 OE1 GLU A 37 1.131 -1.086 8.437 1.00 0.00 O ATOM 355 OE2 GLU A 37 -0.306 0.581 8.095 1.00 0.00 O ATOM 0 H GLU A 37 3.050 -1.689 3.838 1.00 0.00 H new ATOM 0 HA GLU A 37 1.975 0.696 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.166 -1.818 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.958 -2.027 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.216 0.030 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.548 -1.608 6.219 1.00 0.00 H new ATOM 357 N ALA A 38 4.262 -0.405 6.797 1.00 0.00 N ATOM 358 CA ALA A 38 5.184 -0.082 7.902 1.00 0.00 C ATOM 359 C ALA A 38 6.197 1.033 7.587 1.00 0.00 C ATOM 360 O ALA A 38 6.785 1.616 8.492 1.00 0.00 O ATOM 361 CB ALA A 38 5.898 -1.390 8.282 1.00 0.00 C ATOM 0 H ALA A 38 4.511 -1.274 6.325 1.00 0.00 H new ATOM 0 HA ALA A 38 4.601 0.322 8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.594 -1.201 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.161 -2.129 8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.446 -1.769 7.419 1.00 0.00 H new ATOM 363 N GLY A 39 6.309 1.373 6.302 1.00 0.00 N ATOM 364 CA GLY A 39 7.300 2.330 5.755 1.00 0.00 C ATOM 365 C GLY A 39 8.745 1.794 5.718 1.00 0.00 C ATOM 366 O GLY A 39 9.683 2.578 5.873 1.00 0.00 O ATOM 0 H GLY A 39 5.699 0.984 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.001 2.606 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.278 3.240 6.354 1.00 0.00 H new ATOM 368 N VAL A 40 8.898 0.524 5.351 1.00 0.00 N ATOM 369 CA VAL A 40 10.237 -0.129 5.327 1.00 0.00 C ATOM 370 C VAL A 40 10.758 -0.210 3.877 1.00 0.00 C ATOM 371 O VAL A 40 11.773 0.390 3.520 1.00 0.00 O ATOM 372 CB VAL A 40 10.218 -1.540 5.954 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.634 -2.100 6.103 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.553 -1.577 7.341 1.00 0.00 C ATOM 0 H VAL A 40 8.129 -0.082 5.066 1.00 0.00 H new ATOM 0 HA VAL A 40 10.905 0.486 5.930 1.00 0.00 H new ATOM 0 HB VAL A 40 9.631 -2.148 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.587 -3.094 6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.106 -2.163 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.219 -1.443 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.572 -2.596 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.095 -0.921 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.520 -1.240 7.258 1.00 0.00 H new ATOM 376 N THR A 41 10.059 -1.016 3.081 1.00 0.00 N ATOM 377 CA THR A 41 10.391 -1.326 1.676 1.00 0.00 C ATOM 378 C THR A 41 10.036 -0.120 0.797 1.00 0.00 C ATOM 379 O THR A 41 8.969 -0.033 0.211 1.00 0.00 O ATOM 380 CB THR A 41 9.593 -2.576 1.275 1.00 0.00 C ATOM 381 OG1 THR A 41 9.858 -3.620 2.214 1.00 0.00 O ATOM 382 CG2 THR A 41 9.899 -3.070 -0.148 1.00 0.00 C ATOM 0 H THR A 41 9.215 -1.492 3.399 1.00 0.00 H new ATOM 0 HA THR A 41 11.455 -1.525 1.548 1.00 0.00 H new ATOM 0 HB THR A 41 8.539 -2.298 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.781 -4.489 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.300 -3.955 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.657 -2.286 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.957 -3.320 -0.227 1.00 0.00 H new ATOM 385 N LYS A 42 10.954 0.849 0.834 1.00 0.00 N ATOM 386 CA LYS A 42 10.859 2.087 0.035 1.00 0.00 C ATOM 387 C LYS A 42 10.841 1.898 -1.485 1.00 0.00 C ATOM 388 O LYS A 42 10.344 2.755 -2.218 1.00 0.00 O ATOM 389 CB LYS A 42 11.978 3.046 0.419 1.00 0.00 C ATOM 390 CG LYS A 42 11.621 3.633 1.774 1.00 0.00 C ATOM 391 CD LYS A 42 12.652 4.693 2.125 1.00 0.00 C ATOM 392 CE LYS A 42 12.341 5.213 3.516 1.00 0.00 C ATOM 393 NZ LYS A 42 13.274 6.309 3.732 1.00 0.00 N ATOM 0 H LYS A 42 11.789 0.803 1.418 1.00 0.00 H new ATOM 0 HA LYS A 42 9.881 2.500 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.933 2.523 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.082 3.834 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.623 4.070 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.607 2.852 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.657 4.272 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.623 5.506 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.309 5.555 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.470 4.433 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.117 6.718 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.249 5.953 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.123 7.041 3.008 1.00 0.00 H new ATOM 398 N ARG A 43 11.519 0.858 -1.951 1.00 0.00 N ATOM 399 CA ARG A 43 11.372 0.430 -3.349 1.00 0.00 C ATOM 400 C ARG A 43 10.734 -0.975 -3.451 1.00 0.00 C ATOM 401 O ARG A 43 11.428 -1.988 -3.327 1.00 0.00 O ATOM 402 CB ARG A 43 12.717 0.545 -4.055 1.00 0.00 C ATOM 403 CG ARG A 43 12.533 0.501 -5.574 1.00 0.00 C ATOM 404 CD ARG A 43 13.580 1.372 -6.274 1.00 0.00 C ATOM 405 NE ARG A 43 13.382 2.785 -5.914 1.00 0.00 N ATOM 406 CZ ARG A 43 12.476 3.623 -6.442 1.00 0.00 C ATOM 407 NH1 ARG A 43 11.760 3.292 -7.509 1.00 0.00 N ATOM 408 NH2 ARG A 43 12.317 4.850 -5.965 1.00 0.00 N ATOM 0 H ARG A 43 12.168 0.298 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 43 10.676 1.092 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.205 1.477 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.371 -0.268 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.615 -0.528 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.533 0.847 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.582 1.052 -5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.503 1.249 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 43 13.994 3.165 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.891 2.381 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.078 3.948 -7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.888 5.171 -5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.623 5.472 -6.379 1.00 0.00 H new ATOM 411 N PRO A 44 9.393 -1.030 -3.570 1.00 0.00 N ATOM 412 CA PRO A 44 8.677 -2.301 -3.782 1.00 0.00 C ATOM 413 C PRO A 44 8.749 -2.790 -5.228 1.00 0.00 C ATOM 414 O PRO A 44 8.325 -2.125 -6.172 1.00 0.00 O ATOM 415 CB PRO A 44 7.236 -2.026 -3.361 1.00 0.00 C ATOM 416 CG PRO A 44 7.064 -0.520 -3.523 1.00 0.00 C ATOM 417 CD PRO A 44 8.449 0.048 -3.225 1.00 0.00 C ATOM 0 HA PRO A 44 9.133 -3.101 -3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.530 -2.574 -3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.059 -2.336 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.736 -0.262 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.316 -0.128 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.642 0.944 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.541 0.331 -2.176 1.00 0.00 H new ATOM 418 N ARG A 45 9.223 -4.022 -5.334 1.00 0.00 N ATOM 419 CA ARG A 45 9.253 -4.761 -6.604 1.00 0.00 C ATOM 420 C ARG A 45 7.840 -5.071 -7.154 1.00 0.00 C ATOM 421 O ARG A 45 7.487 -4.677 -8.262 1.00 0.00 O ATOM 422 CB ARG A 45 10.049 -6.031 -6.287 1.00 0.00 C ATOM 423 CG ARG A 45 10.365 -6.824 -7.541 1.00 0.00 C ATOM 424 CD ARG A 45 10.785 -8.240 -7.204 1.00 0.00 C ATOM 425 NE ARG A 45 10.515 -8.960 -8.450 1.00 0.00 N ATOM 426 CZ ARG A 45 10.988 -10.152 -8.817 1.00 0.00 C ATOM 427 NH1 ARG A 45 11.605 -10.976 -7.994 1.00 0.00 N ATOM 428 NH2 ARG A 45 10.604 -10.697 -9.949 1.00 0.00 N ATOM 0 H ARG A 45 9.601 -4.546 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 45 9.713 -4.176 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.977 -5.762 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.480 -6.654 -5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.490 -6.847 -8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.161 -6.328 -8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.837 -8.295 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.212 -8.645 -6.370 1.00 0.00 H new ATOM 0 HE ARG A 45 9.894 -8.497 -9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.742 -10.714 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.945 -11.876 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.942 -10.208 -10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.968 -11.609 -10.226 1.00 0.00 H new ATOM 431 N PHE A 46 6.995 -5.571 -6.253 1.00 0.00 N ATOM 432 CA PHE A 46 5.590 -5.947 -6.497 1.00 0.00 C ATOM 433 C PHE A 46 4.550 -4.796 -6.519 1.00 0.00 C ATOM 434 O PHE A 46 3.345 -5.057 -6.565 1.00 0.00 O ATOM 435 CB PHE A 46 5.141 -6.990 -5.458 1.00 0.00 C ATOM 436 CG PHE A 46 5.761 -6.851 -4.066 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.654 -5.649 -3.319 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.474 -7.956 -3.540 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.252 -5.560 -2.038 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.080 -7.866 -2.275 1.00 0.00 C ATOM 441 CZ PHE A 46 6.944 -6.665 -1.524 1.00 0.00 C ATOM 0 H PHE A 46 7.278 -5.735 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 46 5.602 -6.340 -7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.057 -6.934 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.376 -7.983 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.118 -4.804 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.552 -8.869 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.175 -4.649 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.642 -8.698 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.383 -6.604 -0.539 1.00 0.00 H new ATOM 443 N LEU A 47 5.023 -3.563 -6.677 1.00 0.00 N ATOM 444 CA LEU A 47 4.159 -2.369 -6.557 1.00 0.00 C ATOM 445 C LEU A 47 2.960 -2.326 -7.506 1.00 0.00 C ATOM 446 O LEU A 47 1.831 -2.080 -7.090 1.00 0.00 O ATOM 447 CB LEU A 47 5.017 -1.079 -6.589 1.00 0.00 C ATOM 448 CG LEU A 47 5.372 -0.481 -7.957 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.828 0.972 -7.763 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.446 -1.303 -8.681 1.00 0.00 C ATOM 0 H LEU A 47 5.999 -3.354 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 47 3.680 -2.441 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.491 -0.314 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.949 -1.285 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 47 4.485 -0.505 -8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.083 1.406 -8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.023 1.548 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.703 0.995 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.667 -0.844 -9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.352 -1.331 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.083 -2.319 -8.837 1.00 0.00 H new ATOM 452 N PHE A 48 3.219 -2.796 -8.727 1.00 0.00 N ATOM 453 CA PHE A 48 2.226 -3.011 -9.797 1.00 0.00 C ATOM 454 C PHE A 48 1.053 -3.878 -9.317 1.00 0.00 C ATOM 455 O PHE A 48 -0.052 -3.381 -9.139 1.00 0.00 O ATOM 456 CB PHE A 48 3.007 -3.697 -10.921 1.00 0.00 C ATOM 457 CG PHE A 48 2.215 -3.786 -12.221 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.236 -2.692 -13.109 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.612 -5.016 -12.579 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.669 -2.829 -14.392 1.00 0.00 C ATOM 461 CE2 PHE A 48 1.046 -5.153 -13.862 1.00 0.00 C ATOM 462 CZ PHE A 48 1.086 -4.064 -14.760 1.00 0.00 C ATOM 0 H PHE A 48 4.164 -3.050 -9.016 1.00 0.00 H new ATOM 0 HA PHE A 48 1.773 -2.075 -10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.932 -3.150 -11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.288 -4.701 -10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.683 -1.756 -12.809 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.586 -5.838 -11.879 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.680 -2.001 -15.086 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.585 -6.084 -14.156 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.663 -4.176 -15.747 1.00 0.00 H new ATOM 464 N GLU A 49 1.403 -5.104 -8.920 1.00 0.00 N ATOM 465 CA GLU A 49 0.446 -6.137 -8.444 1.00 0.00 C ATOM 466 C GLU A 49 -0.507 -5.605 -7.376 1.00 0.00 C ATOM 467 O GLU A 49 -1.716 -5.522 -7.615 1.00 0.00 O ATOM 468 CB GLU A 49 1.222 -7.367 -7.940 1.00 0.00 C ATOM 469 CG GLU A 49 1.965 -8.112 -9.053 1.00 0.00 C ATOM 470 CD GLU A 49 3.477 -7.891 -8.977 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.901 -6.763 -9.328 1.00 0.00 O ATOM 472 OE2 GLU A 49 4.173 -8.827 -8.557 1.00 0.00 O ATOM 0 H GLU A 49 2.372 -5.424 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.180 -6.429 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.939 -7.050 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.527 -8.052 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.750 -9.178 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.597 -7.776 -10.023 1.00 0.00 H new ATOM 474 N ILE A 50 0.069 -4.934 -6.373 1.00 0.00 N ATOM 475 CA ILE A 50 -0.688 -4.348 -5.250 1.00 0.00 C ATOM 476 C ILE A 50 -1.586 -3.184 -5.704 1.00 0.00 C ATOM 477 O ILE A 50 -2.792 -3.259 -5.525 1.00 0.00 O ATOM 478 CB ILE A 50 0.294 -3.954 -4.129 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.123 -5.175 -3.688 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.473 -3.371 -2.926 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.337 -4.801 -2.826 1.00 0.00 C ATOM 0 H ILE A 50 1.075 -4.779 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.375 -5.094 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 50 0.972 -3.193 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.484 -5.857 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.465 -5.713 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.233 -3.097 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.026 -2.486 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.169 -4.117 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.879 -5.705 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.996 -4.143 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.999 -4.289 -1.925 1.00 0.00 H new ATOM 483 N ALA A 51 -0.994 -2.203 -6.387 1.00 0.00 N ATOM 484 CA ALA A 51 -1.730 -1.003 -6.820 1.00 0.00 C ATOM 485 C ALA A 51 -2.913 -1.326 -7.736 1.00 0.00 C ATOM 486 O ALA A 51 -4.019 -0.852 -7.489 1.00 0.00 O ATOM 487 CB ALA A 51 -0.765 -0.028 -7.505 1.00 0.00 C ATOM 0 H ALA A 51 -0.010 -2.211 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.153 -0.540 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.311 0.860 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.019 0.261 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.316 -0.510 -8.373 1.00 0.00 H new ATOM 489 N MET A 52 -2.712 -2.272 -8.643 1.00 0.00 N ATOM 490 CA MET A 52 -3.760 -2.734 -9.564 1.00 0.00 C ATOM 491 C MET A 52 -4.843 -3.600 -8.915 1.00 0.00 C ATOM 492 O MET A 52 -6.029 -3.405 -9.180 1.00 0.00 O ATOM 493 CB MET A 52 -3.103 -3.467 -10.729 1.00 0.00 C ATOM 494 CG MET A 52 -2.513 -2.425 -11.676 1.00 0.00 C ATOM 495 SD MET A 52 -1.987 -3.150 -13.270 1.00 0.00 S ATOM 496 CE MET A 52 -2.326 -1.739 -14.298 1.00 0.00 C ATOM 0 H MET A 52 -1.818 -2.747 -8.767 1.00 0.00 H new ATOM 0 HA MET A 52 -4.289 -1.847 -9.912 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.323 -4.136 -10.366 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.834 -4.084 -11.251 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.253 -1.646 -11.861 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.658 -1.946 -11.198 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.070 -1.972 -15.332 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.385 -1.488 -14.234 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.731 -0.891 -13.960 1.00 0.00 H new ATOM 498 N ALA A 53 -4.424 -4.455 -7.986 1.00 0.00 N ATOM 499 CA ALA A 53 -5.334 -5.223 -7.110 1.00 0.00 C ATOM 500 C ALA A 53 -6.225 -4.293 -6.259 1.00 0.00 C ATOM 501 O ALA A 53 -7.413 -4.533 -6.067 1.00 0.00 O ATOM 502 CB ALA A 53 -4.504 -6.124 -6.208 1.00 0.00 C ATOM 0 H ALA A 53 -3.437 -4.643 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.996 -5.823 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.165 -6.696 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.916 -6.809 -6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.835 -5.514 -5.601 1.00 0.00 H new ATOM 504 N LEU A 54 -5.631 -3.185 -5.844 1.00 0.00 N ATOM 505 CA LEU A 54 -6.305 -2.066 -5.146 1.00 0.00 C ATOM 506 C LEU A 54 -7.062 -1.102 -6.093 1.00 0.00 C ATOM 507 O LEU A 54 -7.676 -0.145 -5.631 1.00 0.00 O ATOM 508 CB LEU A 54 -5.211 -1.344 -4.357 1.00 0.00 C ATOM 509 CG LEU A 54 -5.626 -1.105 -2.901 1.00 0.00 C ATOM 510 CD1 LEU A 54 -4.373 -0.952 -2.035 1.00 0.00 C ATOM 511 CD2 LEU A 54 -6.554 0.094 -2.730 1.00 0.00 C ATOM 0 H LEU A 54 -4.634 -3.020 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.088 -2.455 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.295 -1.934 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.989 -0.389 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.199 -1.974 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.665 -0.782 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.774 -1.860 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.786 -0.105 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.810 0.208 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.052 0.996 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.463 -0.064 -3.310 1.00 0.00 H new ATOM 513 N ASN A 55 -7.052 -1.388 -7.399 1.00 0.00 N ATOM 514 CA ASN A 55 -7.657 -0.548 -8.465 1.00 0.00 C ATOM 515 C ASN A 55 -7.157 0.902 -8.413 1.00 0.00 C ATOM 516 O ASN A 55 -7.886 1.877 -8.236 1.00 0.00 O ATOM 517 CB ASN A 55 -9.184 -0.624 -8.450 1.00 0.00 C ATOM 518 CG ASN A 55 -9.718 -1.939 -9.027 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.275 -2.000 -10.115 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.614 -3.007 -8.272 1.00 0.00 N ATOM 0 H ASN A 55 -6.613 -2.232 -7.765 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.324 -0.961 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.539 -0.511 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.591 0.210 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.999 -3.896 -8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.148 -2.948 -7.366 1.00 0.00 H new ATOM 522 N CYS A 56 -5.834 0.996 -8.438 1.00 0.00 N ATOM 523 CA CYS A 56 -5.117 2.270 -8.304 1.00 0.00 C ATOM 524 C CYS A 56 -3.760 2.225 -9.039 1.00 0.00 C ATOM 525 O CYS A 56 -3.476 1.309 -9.823 1.00 0.00 O ATOM 526 CB CYS A 56 -4.985 2.585 -6.804 1.00 0.00 C ATOM 527 SG CYS A 56 -4.614 4.346 -6.462 1.00 0.00 S ATOM 0 H CYS A 56 -5.219 0.190 -8.552 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.673 3.078 -8.780 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.912 2.312 -6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.196 1.965 -6.378 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.521 4.528 -5.178 1.00 0.00 H new ATOM 529 N ASP A 57 -2.882 3.136 -8.660 1.00 0.00 N ATOM 530 CA ASP A 57 -1.719 3.503 -9.471 1.00 0.00 C ATOM 531 C ASP A 57 -0.356 3.099 -8.866 1.00 0.00 C ATOM 532 O ASP A 57 -0.134 3.291 -7.671 1.00 0.00 O ATOM 533 CB ASP A 57 -1.916 5.008 -9.681 1.00 0.00 C ATOM 534 CG ASP A 57 -0.816 5.640 -10.517 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.677 5.254 -11.693 1.00 0.00 O ATOM 536 OD2 ASP A 57 0.000 6.318 -9.872 1.00 0.00 O ATOM 0 H ASP A 57 -2.949 3.648 -7.780 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.672 2.955 -10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.877 5.179 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.957 5.502 -8.710 1.00 0.00 H new