USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 542 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 58 ASN : amide:sc= -0.494 K(o=-0.69,f=-1.9!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.2 X(o=-0.69,f=-0.85) USER MOD Set 2.1: A 35 GLN : amide:sc=-0.00442 X(o=-0.054,f=-0.13) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -158:sc= -0.0497 (180deg=-0.128) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 0.596 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -69:sc= 1.13 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.2) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 63:sc= 1.12 USER MOD Single : A 44 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.95) USER MOD Single : A 50 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-7.1!) USER MOD Single : A 51 THR OG1 : rot -176:sc= -0.99 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= -0.115 (180deg=-1.07) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.29! C(o=-3.7!,f=-1.3!) USER MOD Single : A 59 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.61) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.517 4.607 -23.902 1.00 0.00 N ATOM 2 CA GLY A 1 -21.236 4.246 -23.318 1.00 0.00 C ATOM 3 C GLY A 1 -20.967 2.748 -23.470 1.00 0.00 C ATOM 4 O GLY A 1 -20.403 2.313 -24.473 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.676 5.628 -23.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.516 4.370 -24.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.277 4.082 -23.424 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.440 4.813 -23.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.225 4.516 -22.262 1.00 0.00 H new ATOM 8 N SER A 2 -21.383 1.999 -22.459 1.00 0.00 N ATOM 9 CA SER A 2 -21.194 0.558 -22.467 1.00 0.00 C ATOM 10 C SER A 2 -19.731 0.221 -22.177 1.00 0.00 C ATOM 11 O SER A 2 -19.431 -0.477 -21.210 1.00 0.00 O ATOM 12 CB SER A 2 -21.623 -0.046 -23.806 1.00 0.00 C ATOM 13 OG SER A 2 -22.615 -1.055 -23.643 1.00 0.00 O ATOM 0 H SER A 2 -21.850 2.363 -21.629 1.00 0.00 H new ATOM 0 HA SER A 2 -21.821 0.126 -21.687 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.010 0.742 -24.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.753 -0.470 -24.308 1.00 0.00 H new ATOM 0 HG SER A 2 -22.863 -1.414 -24.520 1.00 0.00 H new ATOM 19 N SER A 3 -18.858 0.733 -23.032 1.00 0.00 N ATOM 20 CA SER A 3 -17.432 0.494 -22.880 1.00 0.00 C ATOM 21 C SER A 3 -16.748 1.748 -22.332 1.00 0.00 C ATOM 22 O SER A 3 -16.359 2.631 -23.095 1.00 0.00 O ATOM 23 CB SER A 3 -16.798 0.081 -24.209 1.00 0.00 C ATOM 24 OG SER A 3 -17.019 1.049 -25.230 1.00 0.00 O ATOM 0 H SER A 3 -19.110 1.313 -23.833 1.00 0.00 H new ATOM 0 HA SER A 3 -17.295 -0.325 -22.174 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.726 -0.061 -24.070 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.209 -0.878 -24.524 1.00 0.00 H new ATOM 0 HG SER A 3 -16.843 1.945 -24.875 1.00 0.00 H new ATOM 30 N GLY A 4 -16.621 1.787 -21.014 1.00 0.00 N ATOM 31 CA GLY A 4 -15.991 2.918 -20.355 1.00 0.00 C ATOM 32 C GLY A 4 -16.974 4.079 -20.198 1.00 0.00 C ATOM 33 O GLY A 4 -16.869 5.085 -20.898 1.00 0.00 O ATOM 0 H GLY A 4 -16.944 1.053 -20.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.623 2.614 -19.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.126 3.245 -20.933 1.00 0.00 H new ATOM 37 N SER A 5 -17.908 3.902 -19.275 1.00 0.00 N ATOM 38 CA SER A 5 -18.909 4.923 -19.017 1.00 0.00 C ATOM 39 C SER A 5 -18.704 5.517 -17.623 1.00 0.00 C ATOM 40 O SER A 5 -18.526 6.726 -17.479 1.00 0.00 O ATOM 41 CB SER A 5 -20.323 4.353 -19.148 1.00 0.00 C ATOM 42 OG SER A 5 -20.485 3.150 -18.401 1.00 0.00 O ATOM 0 H SER A 5 -17.993 3.066 -18.696 1.00 0.00 H new ATOM 0 HA SER A 5 -18.793 5.711 -19.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.046 5.093 -18.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.540 4.159 -20.199 1.00 0.00 H new ATOM 0 HG SER A 5 -21.401 2.819 -18.509 1.00 0.00 H new ATOM 48 N SER A 6 -18.735 4.640 -16.630 1.00 0.00 N ATOM 49 CA SER A 6 -18.554 5.063 -15.252 1.00 0.00 C ATOM 50 C SER A 6 -19.754 5.897 -14.799 1.00 0.00 C ATOM 51 O SER A 6 -20.509 6.405 -15.626 1.00 0.00 O ATOM 52 CB SER A 6 -17.260 5.861 -15.086 1.00 0.00 C ATOM 53 OG SER A 6 -16.135 5.172 -15.624 1.00 0.00 O ATOM 0 H SER A 6 -18.883 3.638 -16.753 1.00 0.00 H new ATOM 0 HA SER A 6 -18.482 4.172 -14.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.364 6.827 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.091 6.061 -14.028 1.00 0.00 H new ATOM 0 HG SER A 6 -15.329 5.715 -15.500 1.00 0.00 H new ATOM 59 N GLY A 7 -19.892 6.012 -13.486 1.00 0.00 N ATOM 60 CA GLY A 7 -20.988 6.776 -12.913 1.00 0.00 C ATOM 61 C GLY A 7 -20.715 7.110 -11.445 1.00 0.00 C ATOM 62 O GLY A 7 -19.569 7.339 -11.060 1.00 0.00 O ATOM 0 H GLY A 7 -19.264 5.589 -12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.129 7.697 -13.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.914 6.207 -12.994 1.00 0.00 H new ATOM 66 N PRO A 8 -21.815 7.128 -10.646 1.00 0.00 N ATOM 67 CA PRO A 8 -21.705 7.430 -9.229 1.00 0.00 C ATOM 68 C PRO A 8 -21.122 6.243 -8.459 1.00 0.00 C ATOM 69 O PRO A 8 -21.814 5.618 -7.657 1.00 0.00 O ATOM 70 CB PRO A 8 -23.117 7.785 -8.792 1.00 0.00 C ATOM 71 CG PRO A 8 -24.038 7.222 -9.862 1.00 0.00 C ATOM 72 CD PRO A 8 -23.187 6.862 -11.068 1.00 0.00 C ATOM 0 HA PRO A 8 -21.020 8.254 -9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -23.344 7.355 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -23.238 8.864 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.563 6.343 -9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -24.797 7.954 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -23.320 5.817 -11.348 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -23.457 7.462 -11.937 1.00 0.00 H new ATOM 80 N ARG A 9 -19.854 5.968 -8.730 1.00 0.00 N ATOM 81 CA ARG A 9 -19.170 4.867 -8.073 1.00 0.00 C ATOM 82 C ARG A 9 -18.457 5.362 -6.813 1.00 0.00 C ATOM 83 O ARG A 9 -18.269 6.565 -6.634 1.00 0.00 O ATOM 84 CB ARG A 9 -18.149 4.217 -9.007 1.00 0.00 C ATOM 85 CG ARG A 9 -18.771 3.047 -9.772 1.00 0.00 C ATOM 86 CD ARG A 9 -17.696 2.067 -10.245 1.00 0.00 C ATOM 87 NE ARG A 9 -18.330 0.846 -10.790 1.00 0.00 N ATOM 88 CZ ARG A 9 -18.856 0.756 -12.019 1.00 0.00 C ATOM 89 NH1 ARG A 9 -18.828 1.816 -12.839 1.00 0.00 N ATOM 90 NH2 ARG A 9 -19.410 -0.393 -12.429 1.00 0.00 N ATOM 0 H ARG A 9 -19.283 6.489 -9.396 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.921 4.125 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.773 4.958 -9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.295 3.865 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -19.485 2.528 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -19.327 3.424 -10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.075 2.536 -11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.039 1.806 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.369 0.021 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.406 2.691 -12.527 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.228 1.748 -13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.432 -1.200 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.810 -0.461 -13.365 1.00 0.00 H new ATOM 104 N SER A 10 -18.078 4.410 -5.973 1.00 0.00 N ATOM 105 CA SER A 10 -17.389 4.734 -4.735 1.00 0.00 C ATOM 106 C SER A 10 -15.919 5.044 -5.021 1.00 0.00 C ATOM 107 O SER A 10 -15.439 6.135 -4.715 1.00 0.00 O ATOM 108 CB SER A 10 -17.505 3.591 -3.725 1.00 0.00 C ATOM 109 OG SER A 10 -17.655 4.070 -2.391 1.00 0.00 O ATOM 0 H SER A 10 -18.235 3.414 -6.125 1.00 0.00 H new ATOM 0 HA SER A 10 -17.861 5.615 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.359 2.964 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.617 2.961 -3.786 1.00 0.00 H new ATOM 0 HG SER A 10 -17.727 3.310 -1.777 1.00 0.00 H new ATOM 115 N ARG A 11 -15.243 4.065 -5.604 1.00 0.00 N ATOM 116 CA ARG A 11 -13.837 4.219 -5.935 1.00 0.00 C ATOM 117 C ARG A 11 -12.999 4.316 -4.658 1.00 0.00 C ATOM 118 O ARG A 11 -13.304 5.111 -3.770 1.00 0.00 O ATOM 119 CB ARG A 11 -13.604 5.469 -6.785 1.00 0.00 C ATOM 120 CG ARG A 11 -12.250 5.406 -7.494 1.00 0.00 C ATOM 121 CD ARG A 11 -12.198 4.230 -8.472 1.00 0.00 C ATOM 122 NE ARG A 11 -11.976 4.726 -9.849 1.00 0.00 N ATOM 123 CZ ARG A 11 -12.955 5.136 -10.667 1.00 0.00 C ATOM 124 NH1 ARG A 11 -14.229 5.111 -10.252 1.00 0.00 N ATOM 125 NH2 ARG A 11 -12.660 5.570 -11.900 1.00 0.00 N ATOM 0 H ARG A 11 -15.644 3.161 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.534 3.343 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.401 5.565 -7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.646 6.356 -6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.073 6.338 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.454 5.306 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.397 3.546 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.130 3.666 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.018 4.758 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.453 4.780 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.974 5.423 -10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.690 5.588 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.405 5.882 -12.523 1.00 0.00 H new ATOM 139 N THR A 12 -11.960 3.496 -4.606 1.00 0.00 N ATOM 140 CA THR A 12 -11.076 3.480 -3.453 1.00 0.00 C ATOM 141 C THR A 12 -9.614 3.539 -3.900 1.00 0.00 C ATOM 142 O THR A 12 -8.827 2.649 -3.582 1.00 0.00 O ATOM 143 CB THR A 12 -11.407 2.239 -2.621 1.00 0.00 C ATOM 144 OG1 THR A 12 -10.283 2.090 -1.757 1.00 0.00 O ATOM 145 CG2 THR A 12 -11.407 0.957 -3.457 1.00 0.00 C ATOM 0 H THR A 12 -11.710 2.838 -5.344 1.00 0.00 H new ATOM 0 HA THR A 12 -11.227 4.359 -2.827 1.00 0.00 H new ATOM 0 HB THR A 12 -12.382 2.366 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.499 1.825 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.647 0.107 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.152 1.039 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.422 0.811 -3.900 1.00 0.00 H new ATOM 153 N LYS A 13 -9.295 4.597 -4.631 1.00 0.00 N ATOM 154 CA LYS A 13 -7.942 4.785 -5.125 1.00 0.00 C ATOM 155 C LYS A 13 -7.617 3.687 -6.140 1.00 0.00 C ATOM 156 O LYS A 13 -7.807 3.871 -7.341 1.00 0.00 O ATOM 157 CB LYS A 13 -6.952 4.859 -3.961 1.00 0.00 C ATOM 158 CG LYS A 13 -6.782 6.300 -3.476 1.00 0.00 C ATOM 159 CD LYS A 13 -6.879 6.380 -1.952 1.00 0.00 C ATOM 160 CE LYS A 13 -7.708 7.591 -1.518 1.00 0.00 C ATOM 161 NZ LYS A 13 -8.103 7.467 -0.097 1.00 0.00 N ATOM 0 H LYS A 13 -9.951 5.333 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.856 5.738 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.303 4.234 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.987 4.461 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.817 6.686 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.547 6.932 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.332 5.467 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.879 6.447 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.131 8.505 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.597 7.673 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.665 8.297 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.671 6.606 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.251 7.411 0.497 1.00 0.00 H new ATOM 175 N ILE A 14 -7.134 2.569 -5.620 1.00 0.00 N ATOM 176 CA ILE A 14 -6.781 1.441 -6.465 1.00 0.00 C ATOM 177 C ILE A 14 -8.027 0.958 -7.211 1.00 0.00 C ATOM 178 O ILE A 14 -8.979 0.484 -6.593 1.00 0.00 O ATOM 179 CB ILE A 14 -6.095 0.348 -5.643 1.00 0.00 C ATOM 180 CG1 ILE A 14 -5.001 0.939 -4.751 1.00 0.00 C ATOM 181 CG2 ILE A 14 -5.559 -0.764 -6.547 1.00 0.00 C ATOM 182 CD1 ILE A 14 -5.495 1.102 -3.312 1.00 0.00 C ATOM 0 H ILE A 14 -6.979 2.420 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.054 1.744 -7.219 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.839 -0.103 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.124 0.291 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.690 1.907 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.076 -1.528 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.384 -1.211 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.835 -0.347 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.698 1.524 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.357 1.769 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.783 0.129 -2.914 1.00 0.00 H new ATOM 194 N SER A 15 -7.981 1.097 -8.527 1.00 0.00 N ATOM 195 CA SER A 15 -9.094 0.681 -9.363 1.00 0.00 C ATOM 196 C SER A 15 -9.690 -0.624 -8.830 1.00 0.00 C ATOM 197 O SER A 15 -10.905 -0.736 -8.671 1.00 0.00 O ATOM 198 CB SER A 15 -8.656 0.508 -10.819 1.00 0.00 C ATOM 199 OG SER A 15 -8.634 1.748 -11.521 1.00 0.00 O ATOM 0 H SER A 15 -7.190 1.492 -9.036 1.00 0.00 H new ATOM 0 HA SER A 15 -9.855 1.461 -9.331 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.664 0.057 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.334 -0.181 -11.322 1.00 0.00 H new ATOM 0 HG SER A 15 -8.348 1.595 -12.446 1.00 0.00 H new ATOM 205 N LEU A 16 -8.808 -1.577 -8.569 1.00 0.00 N ATOM 206 CA LEU A 16 -9.232 -2.869 -8.057 1.00 0.00 C ATOM 207 C LEU A 16 -8.121 -3.895 -8.292 1.00 0.00 C ATOM 208 O LEU A 16 -7.486 -4.355 -7.345 1.00 0.00 O ATOM 209 CB LEU A 16 -10.578 -3.270 -8.664 1.00 0.00 C ATOM 210 CG LEU A 16 -10.910 -4.763 -8.631 1.00 0.00 C ATOM 211 CD1 LEU A 16 -12.016 -5.057 -7.615 1.00 0.00 C ATOM 212 CD2 LEU A 16 -11.263 -5.277 -10.028 1.00 0.00 C ATOM 0 H LEU A 16 -7.801 -1.480 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.397 -2.817 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.366 -2.731 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.600 -2.936 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.022 -5.303 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.233 -6.125 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.689 -4.750 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.916 -4.505 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.495 -6.341 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.129 -4.735 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.417 -5.122 -10.697 1.00 0.00 H new ATOM 224 N GLU A 17 -7.921 -4.223 -9.560 1.00 0.00 N ATOM 225 CA GLU A 17 -6.899 -5.186 -9.931 1.00 0.00 C ATOM 226 C GLU A 17 -5.672 -5.033 -9.029 1.00 0.00 C ATOM 227 O GLU A 17 -5.533 -5.749 -8.038 1.00 0.00 O ATOM 228 CB GLU A 17 -6.516 -5.039 -11.405 1.00 0.00 C ATOM 229 CG GLU A 17 -7.115 -6.171 -12.243 1.00 0.00 C ATOM 230 CD GLU A 17 -8.250 -5.656 -13.130 1.00 0.00 C ATOM 231 OE1 GLU A 17 -7.926 -5.004 -14.145 1.00 0.00 O ATOM 232 OE2 GLU A 17 -9.417 -5.926 -12.772 1.00 0.00 O ATOM 0 H GLU A 17 -8.450 -3.839 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.305 -6.188 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.867 -4.078 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.431 -5.043 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.339 -6.619 -12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.490 -6.956 -11.586 1.00 0.00 H new ATOM 239 N ALA A 18 -4.815 -4.095 -9.404 1.00 0.00 N ATOM 240 CA ALA A 18 -3.605 -3.839 -8.641 1.00 0.00 C ATOM 241 C ALA A 18 -3.828 -4.253 -7.185 1.00 0.00 C ATOM 242 O ALA A 18 -3.060 -5.042 -6.637 1.00 0.00 O ATOM 243 CB ALA A 18 -3.220 -2.364 -8.775 1.00 0.00 C ATOM 0 H ALA A 18 -4.934 -3.503 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.775 -4.430 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.312 -2.171 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.044 -2.128 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.029 -1.741 -8.393 1.00 0.00 H new ATOM 249 N LEU A 19 -4.882 -3.703 -6.602 1.00 0.00 N ATOM 250 CA LEU A 19 -5.216 -4.005 -5.220 1.00 0.00 C ATOM 251 C LEU A 19 -5.101 -5.514 -4.991 1.00 0.00 C ATOM 252 O LEU A 19 -4.226 -5.969 -4.256 1.00 0.00 O ATOM 253 CB LEU A 19 -6.588 -3.432 -4.862 1.00 0.00 C ATOM 254 CG LEU A 19 -6.813 -3.101 -3.385 1.00 0.00 C ATOM 255 CD1 LEU A 19 -5.929 -3.970 -2.489 1.00 0.00 C ATOM 256 CD2 LEU A 19 -6.607 -1.609 -3.120 1.00 0.00 C ATOM 0 H LEU A 19 -5.517 -3.050 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.510 -3.524 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.744 -2.524 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.350 -4.146 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.849 -3.331 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.108 -3.715 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.167 -5.021 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.881 -3.794 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.773 -1.401 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.589 -1.329 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.312 -1.032 -3.718 1.00 0.00 H new ATOM 268 N GLY A 20 -5.997 -6.248 -5.634 1.00 0.00 N ATOM 269 CA GLY A 20 -6.008 -7.695 -5.509 1.00 0.00 C ATOM 270 C GLY A 20 -4.602 -8.271 -5.694 1.00 0.00 C ATOM 271 O GLY A 20 -4.160 -9.104 -4.904 1.00 0.00 O ATOM 0 H GLY A 20 -6.721 -5.867 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.394 -7.976 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.681 -8.123 -6.252 1.00 0.00 H new ATOM 275 N ILE A 21 -3.940 -7.806 -6.743 1.00 0.00 N ATOM 276 CA ILE A 21 -2.594 -8.264 -7.042 1.00 0.00 C ATOM 277 C ILE A 21 -1.733 -8.162 -5.782 1.00 0.00 C ATOM 278 O ILE A 21 -1.185 -9.161 -5.317 1.00 0.00 O ATOM 279 CB ILE A 21 -2.023 -7.504 -8.241 1.00 0.00 C ATOM 280 CG1 ILE A 21 -2.684 -7.957 -9.544 1.00 0.00 C ATOM 281 CG2 ILE A 21 -0.499 -7.632 -8.296 1.00 0.00 C ATOM 282 CD1 ILE A 21 -2.339 -7.008 -10.693 1.00 0.00 C ATOM 0 H ILE A 21 -4.311 -7.116 -7.397 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.606 -9.314 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.253 -6.446 -8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.356 -8.967 -9.791 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.765 -7.997 -9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.119 -7.083 -9.157 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.066 -7.221 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.225 -8.683 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.822 -7.353 -11.607 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.690 -6.004 -10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.259 -6.989 -10.838 1.00 0.00 H new ATOM 294 N LEU A 22 -1.641 -6.946 -5.264 1.00 0.00 N ATOM 295 CA LEU A 22 -0.856 -6.700 -4.067 1.00 0.00 C ATOM 296 C LEU A 22 -1.505 -7.416 -2.881 1.00 0.00 C ATOM 297 O LEU A 22 -0.833 -7.735 -1.901 1.00 0.00 O ATOM 298 CB LEU A 22 -0.667 -5.197 -3.849 1.00 0.00 C ATOM 299 CG LEU A 22 -1.626 -4.537 -2.857 1.00 0.00 C ATOM 300 CD1 LEU A 22 -1.043 -4.545 -1.442 1.00 0.00 C ATOM 301 CD2 LEU A 22 -2.003 -3.127 -3.314 1.00 0.00 C ATOM 0 H LEU A 22 -2.097 -6.120 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 22 0.147 -7.111 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.353 -5.025 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.769 -4.695 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.545 -5.123 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.745 -4.070 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.868 -5.574 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.101 -3.997 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.686 -2.680 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.103 -2.516 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.489 -3.178 -4.288 1.00 0.00 H new ATOM 313 N GLN A 23 -2.803 -7.649 -3.009 1.00 0.00 N ATOM 314 CA GLN A 23 -3.550 -8.321 -1.960 1.00 0.00 C ATOM 315 C GLN A 23 -3.154 -9.798 -1.890 1.00 0.00 C ATOM 316 O GLN A 23 -2.872 -10.318 -0.811 1.00 0.00 O ATOM 317 CB GLN A 23 -5.057 -8.167 -2.175 1.00 0.00 C ATOM 318 CG GLN A 23 -5.761 -7.790 -0.870 1.00 0.00 C ATOM 319 CD GLN A 23 -6.601 -8.955 -0.343 1.00 0.00 C ATOM 320 OE1 GLN A 23 -7.751 -9.139 -0.706 1.00 0.00 O ATOM 321 NE2 GLN A 23 -5.964 -9.729 0.531 1.00 0.00 N ATOM 0 H GLN A 23 -3.356 -7.384 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.303 -7.853 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.244 -7.401 -2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.470 -9.100 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.021 -7.504 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.400 -6.922 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.001 -9.518 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.439 -10.533 0.941 1.00 0.00 H new ATOM 330 N SER A 24 -3.145 -10.431 -3.054 1.00 0.00 N ATOM 331 CA SER A 24 -2.789 -11.837 -3.138 1.00 0.00 C ATOM 332 C SER A 24 -1.383 -12.055 -2.574 1.00 0.00 C ATOM 333 O SER A 24 -1.142 -13.026 -1.858 1.00 0.00 O ATOM 334 CB SER A 24 -2.866 -12.339 -4.581 1.00 0.00 C ATOM 335 OG SER A 24 -2.749 -13.757 -4.660 1.00 0.00 O ATOM 0 H SER A 24 -3.379 -9.996 -3.947 1.00 0.00 H new ATOM 0 HA SER A 24 -3.504 -12.407 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.813 -12.028 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.073 -11.877 -5.169 1.00 0.00 H new ATOM 0 HG SER A 24 -2.804 -14.038 -5.597 1.00 0.00 H new ATOM 341 N PHE A 25 -0.493 -11.136 -2.918 1.00 0.00 N ATOM 342 CA PHE A 25 0.882 -11.216 -2.455 1.00 0.00 C ATOM 343 C PHE A 25 0.951 -11.157 -0.928 1.00 0.00 C ATOM 344 O PHE A 25 1.756 -11.853 -0.312 1.00 0.00 O ATOM 345 CB PHE A 25 1.619 -10.007 -3.034 1.00 0.00 C ATOM 346 CG PHE A 25 2.650 -9.393 -2.084 1.00 0.00 C ATOM 347 CD1 PHE A 25 2.242 -8.591 -1.064 1.00 0.00 C ATOM 348 CD2 PHE A 25 3.974 -9.650 -2.259 1.00 0.00 C ATOM 349 CE1 PHE A 25 3.198 -8.021 -0.183 1.00 0.00 C ATOM 350 CE2 PHE A 25 4.930 -9.081 -1.377 1.00 0.00 C ATOM 351 CZ PHE A 25 4.522 -8.278 -0.358 1.00 0.00 C ATOM 0 H PHE A 25 -0.697 -10.332 -3.512 1.00 0.00 H new ATOM 0 HA PHE A 25 1.329 -12.157 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.121 -10.307 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.889 -9.244 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.191 -8.388 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.298 -10.287 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.874 -7.383 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.981 -9.286 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.249 -7.844 0.312 1.00 0.00 H new ATOM 361 N ILE A 26 0.095 -10.319 -0.361 1.00 0.00 N ATOM 362 CA ILE A 26 0.048 -10.161 1.083 1.00 0.00 C ATOM 363 C ILE A 26 -0.344 -11.493 1.726 1.00 0.00 C ATOM 364 O ILE A 26 0.257 -11.909 2.715 1.00 0.00 O ATOM 365 CB ILE A 26 -0.871 -8.999 1.465 1.00 0.00 C ATOM 366 CG1 ILE A 26 -0.104 -7.675 1.482 1.00 0.00 C ATOM 367 CG2 ILE A 26 -1.574 -9.271 2.796 1.00 0.00 C ATOM 368 CD1 ILE A 26 -0.933 -6.554 0.852 1.00 0.00 C ATOM 0 H ILE A 26 -0.571 -9.743 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 26 1.033 -9.899 1.470 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.646 -8.912 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.151 -7.411 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.835 -7.787 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.221 -8.430 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.173 -10.178 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.829 -9.400 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.365 -5.624 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.165 -6.810 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.860 -6.428 1.412 1.00 0.00 H new ATOM 380 N HIS A 27 -1.349 -12.124 1.137 1.00 0.00 N ATOM 381 CA HIS A 27 -1.829 -13.400 1.640 1.00 0.00 C ATOM 382 C HIS A 27 -0.814 -14.496 1.310 1.00 0.00 C ATOM 383 O HIS A 27 -0.924 -15.618 1.801 1.00 0.00 O ATOM 384 CB HIS A 27 -3.228 -13.705 1.101 1.00 0.00 C ATOM 385 CG HIS A 27 -4.184 -14.238 2.141 1.00 0.00 C ATOM 386 ND1 HIS A 27 -4.038 -15.484 2.726 1.00 0.00 N ATOM 387 CD2 HIS A 27 -5.299 -13.680 2.695 1.00 0.00 C ATOM 388 CE1 HIS A 27 -5.027 -15.658 3.590 1.00 0.00 C ATOM 389 NE2 HIS A 27 -5.807 -14.540 3.570 1.00 0.00 N ATOM 0 H HIS A 27 -1.844 -11.776 0.316 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.923 -13.355 2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.646 -12.795 0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.144 -14.432 0.293 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.700 -12.705 2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.187 -16.533 4.203 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.643 -14.389 4.134 1.00 0.00 H new ATOM 397 N ASP A 28 0.153 -14.132 0.480 1.00 0.00 N ATOM 398 CA ASP A 28 1.187 -15.070 0.078 1.00 0.00 C ATOM 399 C ASP A 28 2.395 -14.918 1.005 1.00 0.00 C ATOM 400 O ASP A 28 2.817 -15.881 1.644 1.00 0.00 O ATOM 401 CB ASP A 28 1.652 -14.798 -1.354 1.00 0.00 C ATOM 402 CG ASP A 28 1.018 -15.693 -2.421 1.00 0.00 C ATOM 403 OD1 ASP A 28 -0.230 -15.703 -2.484 1.00 0.00 O ATOM 404 OD2 ASP A 28 1.797 -16.346 -3.148 1.00 0.00 O ATOM 0 H ASP A 28 0.242 -13.200 0.075 1.00 0.00 H new ATOM 0 HA ASP A 28 0.771 -16.076 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.436 -13.758 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.735 -14.918 -1.397 1.00 0.00 H new ATOM 409 N VAL A 29 2.919 -13.702 1.047 1.00 0.00 N ATOM 410 CA VAL A 29 4.070 -13.411 1.884 1.00 0.00 C ATOM 411 C VAL A 29 3.602 -13.159 3.319 1.00 0.00 C ATOM 412 O VAL A 29 4.126 -13.752 4.260 1.00 0.00 O ATOM 413 CB VAL A 29 4.861 -12.239 1.299 1.00 0.00 C ATOM 414 CG1 VAL A 29 5.084 -12.424 -0.203 1.00 0.00 C ATOM 415 CG2 VAL A 29 4.164 -10.908 1.590 1.00 0.00 C ATOM 0 H VAL A 29 2.567 -12.906 0.514 1.00 0.00 H new ATOM 0 HA VAL A 29 4.749 -14.264 1.908 1.00 0.00 H new ATOM 0 HB VAL A 29 5.838 -12.219 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.648 -11.577 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.642 -13.344 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.121 -12.483 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.747 -10.091 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.168 -10.914 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.080 -10.769 2.668 1.00 0.00 H new ATOM 425 N GLY A 30 2.619 -12.279 3.441 1.00 0.00 N ATOM 426 CA GLY A 30 2.074 -11.941 4.744 1.00 0.00 C ATOM 427 C GLY A 30 1.762 -10.446 4.838 1.00 0.00 C ATOM 428 O GLY A 30 1.306 -9.841 3.869 1.00 0.00 O ATOM 0 H GLY A 30 2.186 -11.790 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.166 -12.517 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.785 -12.217 5.522 1.00 0.00 H new ATOM 432 N LEU A 31 2.022 -9.893 6.014 1.00 0.00 N ATOM 433 CA LEU A 31 1.775 -8.480 6.247 1.00 0.00 C ATOM 434 C LEU A 31 3.031 -7.838 6.840 1.00 0.00 C ATOM 435 O LEU A 31 2.989 -7.284 7.938 1.00 0.00 O ATOM 436 CB LEU A 31 0.522 -8.289 7.104 1.00 0.00 C ATOM 437 CG LEU A 31 -0.804 -8.682 6.451 1.00 0.00 C ATOM 438 CD1 LEU A 31 -1.898 -8.873 7.504 1.00 0.00 C ATOM 439 CD2 LEU A 31 -1.210 -7.667 5.381 1.00 0.00 C ATOM 0 H LEU A 31 2.401 -10.398 6.815 1.00 0.00 H new ATOM 0 HA LEU A 31 1.570 -7.969 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.640 -8.870 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.463 -7.241 7.397 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.668 -9.641 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.831 -9.152 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.603 -9.661 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.041 -7.942 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.156 -7.970 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.323 -6.683 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.440 -7.623 4.610 1.00 0.00 H new ATOM 451 N TYR A 32 4.117 -7.934 6.089 1.00 0.00 N ATOM 452 CA TYR A 32 5.383 -7.370 6.527 1.00 0.00 C ATOM 453 C TYR A 32 6.353 -7.224 5.353 1.00 0.00 C ATOM 454 O TYR A 32 7.406 -7.859 5.331 1.00 0.00 O ATOM 455 CB TYR A 32 5.963 -8.367 7.532 1.00 0.00 C ATOM 456 CG TYR A 32 5.064 -8.624 8.743 1.00 0.00 C ATOM 457 CD1 TYR A 32 5.136 -7.795 9.844 1.00 0.00 C ATOM 458 CD2 TYR A 32 4.182 -9.685 8.735 1.00 0.00 C ATOM 459 CE1 TYR A 32 4.290 -8.037 10.984 1.00 0.00 C ATOM 460 CE2 TYR A 32 3.336 -9.928 9.874 1.00 0.00 C ATOM 461 CZ TYR A 32 3.432 -9.092 10.943 1.00 0.00 C ATOM 462 OH TYR A 32 2.633 -9.320 12.019 1.00 0.00 O ATOM 0 H TYR A 32 4.147 -8.394 5.179 1.00 0.00 H new ATOM 0 HA TYR A 32 5.234 -6.380 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.149 -9.313 7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.927 -7.997 7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.827 -6.965 9.851 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.126 -10.334 7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.336 -7.396 11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.641 -10.755 9.880 1.00 0.00 H new ATOM 0 HH TYR A 32 2.072 -10.105 11.849 1.00 0.00 H new ATOM 472 N PRO A 33 5.954 -6.360 4.382 1.00 0.00 N ATOM 473 CA PRO A 33 6.777 -6.122 3.208 1.00 0.00 C ATOM 474 C PRO A 33 7.977 -5.237 3.550 1.00 0.00 C ATOM 475 O PRO A 33 8.048 -4.676 4.642 1.00 0.00 O ATOM 476 CB PRO A 33 5.840 -5.487 2.193 1.00 0.00 C ATOM 477 CG PRO A 33 4.653 -4.968 2.989 1.00 0.00 C ATOM 478 CD PRO A 33 4.714 -5.590 4.375 1.00 0.00 C ATOM 0 HA PRO A 33 7.215 -7.037 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.335 -4.677 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.522 -6.215 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.685 -3.881 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.718 -5.229 2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.718 -4.826 5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.850 -6.229 4.561 1.00 0.00 H new ATOM 486 N ASP A 34 8.891 -5.139 2.595 1.00 0.00 N ATOM 487 CA ASP A 34 10.084 -4.331 2.782 1.00 0.00 C ATOM 488 C ASP A 34 10.177 -3.298 1.656 1.00 0.00 C ATOM 489 O ASP A 34 9.470 -3.401 0.655 1.00 0.00 O ATOM 490 CB ASP A 34 11.346 -5.195 2.736 1.00 0.00 C ATOM 491 CG ASP A 34 11.422 -6.286 3.805 1.00 0.00 C ATOM 492 OD1 ASP A 34 10.370 -6.914 4.051 1.00 0.00 O ATOM 493 OD2 ASP A 34 12.531 -6.467 4.353 1.00 0.00 O ATOM 0 H ASP A 34 8.829 -5.606 1.690 1.00 0.00 H new ATOM 0 HA ASP A 34 10.014 -3.846 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.411 -5.664 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.216 -4.546 2.838 1.00 0.00 H new ATOM 498 N GLN A 35 11.054 -2.326 1.859 1.00 0.00 N ATOM 499 CA GLN A 35 11.248 -1.276 0.875 1.00 0.00 C ATOM 500 C GLN A 35 11.324 -1.874 -0.532 1.00 0.00 C ATOM 501 O GLN A 35 11.012 -1.202 -1.514 1.00 0.00 O ATOM 502 CB GLN A 35 12.499 -0.454 1.189 1.00 0.00 C ATOM 503 CG GLN A 35 12.354 0.278 2.525 1.00 0.00 C ATOM 504 CD GLN A 35 11.935 1.734 2.310 1.00 0.00 C ATOM 505 OE1 GLN A 35 12.708 2.571 1.873 1.00 0.00 O ATOM 506 NE2 GLN A 35 10.672 1.988 2.640 1.00 0.00 N ATOM 0 H GLN A 35 11.638 -2.244 2.691 1.00 0.00 H new ATOM 0 HA GLN A 35 10.391 -0.603 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.370 -1.109 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.673 0.268 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.614 -0.230 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.299 0.244 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.079 1.241 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.297 2.930 2.533 1.00 0.00 H new ATOM 515 N GLU A 36 11.740 -3.131 -0.584 1.00 0.00 N ATOM 516 CA GLU A 36 11.861 -3.827 -1.853 1.00 0.00 C ATOM 517 C GLU A 36 10.482 -4.268 -2.350 1.00 0.00 C ATOM 518 O GLU A 36 10.113 -3.994 -3.491 1.00 0.00 O ATOM 519 CB GLU A 36 12.809 -5.022 -1.735 1.00 0.00 C ATOM 520 CG GLU A 36 12.183 -6.281 -2.339 1.00 0.00 C ATOM 521 CD GLU A 36 13.213 -7.406 -2.450 1.00 0.00 C ATOM 522 OE1 GLU A 36 14.263 -7.155 -3.081 1.00 0.00 O ATOM 523 OE2 GLU A 36 12.928 -8.493 -1.902 1.00 0.00 O ATOM 0 H GLU A 36 11.997 -3.685 0.233 1.00 0.00 H new ATOM 0 HA GLU A 36 12.286 -3.139 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.747 -4.798 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.049 -5.198 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.347 -6.608 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.780 -6.053 -3.326 1.00 0.00 H new ATOM 530 N ALA A 37 9.759 -4.944 -1.469 1.00 0.00 N ATOM 531 CA ALA A 37 8.430 -5.425 -1.804 1.00 0.00 C ATOM 532 C ALA A 37 7.550 -4.241 -2.207 1.00 0.00 C ATOM 533 O ALA A 37 6.811 -4.318 -3.188 1.00 0.00 O ATOM 534 CB ALA A 37 7.855 -6.202 -0.618 1.00 0.00 C ATOM 0 H ALA A 37 10.069 -5.170 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 37 8.471 -6.108 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.858 -6.563 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.501 -7.050 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.796 -5.547 0.252 1.00 0.00 H new ATOM 540 N ILE A 38 7.658 -3.173 -1.431 1.00 0.00 N ATOM 541 CA ILE A 38 6.881 -1.974 -1.695 1.00 0.00 C ATOM 542 C ILE A 38 7.258 -1.420 -3.071 1.00 0.00 C ATOM 543 O ILE A 38 6.393 -0.971 -3.822 1.00 0.00 O ATOM 544 CB ILE A 38 7.051 -0.964 -0.559 1.00 0.00 C ATOM 545 CG1 ILE A 38 6.768 -1.613 0.798 1.00 0.00 C ATOM 546 CG2 ILE A 38 6.185 0.276 -0.793 1.00 0.00 C ATOM 547 CD1 ILE A 38 6.325 -0.568 1.824 1.00 0.00 C ATOM 0 H ILE A 38 8.272 -3.113 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 38 5.817 -2.209 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 38 8.090 -0.634 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.993 -2.371 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.663 -2.122 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.325 0.978 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.476 0.752 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.136 -0.017 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.130 -1.056 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.112 0.175 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.416 -0.078 1.475 1.00 0.00 H new ATOM 559 N HIS A 39 8.550 -1.470 -3.360 1.00 0.00 N ATOM 560 CA HIS A 39 9.051 -0.979 -4.633 1.00 0.00 C ATOM 561 C HIS A 39 8.419 -1.776 -5.775 1.00 0.00 C ATOM 562 O HIS A 39 8.139 -1.226 -6.840 1.00 0.00 O ATOM 563 CB HIS A 39 10.581 -1.012 -4.663 1.00 0.00 C ATOM 564 CG HIS A 39 11.219 0.337 -4.893 1.00 0.00 C ATOM 565 ND1 HIS A 39 12.510 0.634 -4.490 1.00 0.00 N ATOM 566 CD2 HIS A 39 10.733 1.463 -5.489 1.00 0.00 C ATOM 567 CE1 HIS A 39 12.777 1.886 -4.832 1.00 0.00 C ATOM 568 NE2 HIS A 39 11.674 2.398 -5.450 1.00 0.00 N ATOM 0 H HIS A 39 9.265 -1.843 -2.735 1.00 0.00 H new ATOM 0 HA HIS A 39 8.765 0.065 -4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 39 10.944 -1.418 -3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.904 -1.694 -5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.749 1.575 -5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.705 2.409 -4.653 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.587 3.344 -5.821 1.00 0.00 H new ATOM 576 N THR A 40 8.211 -3.059 -5.516 1.00 0.00 N ATOM 577 CA THR A 40 7.617 -3.937 -6.510 1.00 0.00 C ATOM 578 C THR A 40 6.125 -3.635 -6.663 1.00 0.00 C ATOM 579 O THR A 40 5.572 -3.761 -7.755 1.00 0.00 O ATOM 580 CB THR A 40 7.906 -5.381 -6.097 1.00 0.00 C ATOM 581 OG1 THR A 40 9.269 -5.581 -6.461 1.00 0.00 O ATOM 582 CG2 THR A 40 7.140 -6.397 -6.948 1.00 0.00 C ATOM 0 H THR A 40 8.443 -3.511 -4.632 1.00 0.00 H new ATOM 0 HA THR A 40 8.053 -3.773 -7.496 1.00 0.00 H new ATOM 0 HB THR A 40 7.647 -5.517 -5.047 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.540 -6.493 -6.226 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.381 -7.406 -6.614 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.069 -6.226 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.425 -6.284 -7.994 1.00 0.00 H new ATOM 590 N LEU A 41 5.516 -3.243 -5.554 1.00 0.00 N ATOM 591 CA LEU A 41 4.099 -2.923 -5.552 1.00 0.00 C ATOM 592 C LEU A 41 3.885 -1.568 -6.231 1.00 0.00 C ATOM 593 O LEU A 41 2.894 -1.370 -6.932 1.00 0.00 O ATOM 594 CB LEU A 41 3.536 -2.993 -4.131 1.00 0.00 C ATOM 595 CG LEU A 41 3.574 -4.369 -3.462 1.00 0.00 C ATOM 596 CD1 LEU A 41 3.053 -4.295 -2.026 1.00 0.00 C ATOM 597 CD2 LEU A 41 2.817 -5.405 -4.294 1.00 0.00 C ATOM 0 H LEU A 41 5.978 -3.140 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 41 3.542 -3.661 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.090 -2.292 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.501 -2.650 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 41 4.613 -4.695 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.091 -5.286 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.673 -3.609 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.023 -3.937 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.860 -6.374 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.777 -5.097 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.274 -5.484 -5.280 1.00 0.00 H new ATOM 609 N SER A 42 4.832 -0.671 -6.000 1.00 0.00 N ATOM 610 CA SER A 42 4.760 0.659 -6.581 1.00 0.00 C ATOM 611 C SER A 42 5.058 0.592 -8.080 1.00 0.00 C ATOM 612 O SER A 42 4.733 1.517 -8.823 1.00 0.00 O ATOM 613 CB SER A 42 5.733 1.616 -5.889 1.00 0.00 C ATOM 614 OG SER A 42 6.236 2.605 -6.783 1.00 0.00 O ATOM 0 H SER A 42 5.653 -0.839 -5.419 1.00 0.00 H new ATOM 0 HA SER A 42 3.750 1.042 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.229 2.104 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.565 1.048 -5.471 1.00 0.00 H new ATOM 0 HG SER A 42 5.497 3.166 -7.099 1.00 0.00 H new ATOM 620 N ALA A 43 5.673 -0.511 -8.480 1.00 0.00 N ATOM 621 CA ALA A 43 6.018 -0.710 -9.877 1.00 0.00 C ATOM 622 C ALA A 43 4.940 -1.564 -10.548 1.00 0.00 C ATOM 623 O ALA A 43 4.204 -1.079 -11.405 1.00 0.00 O ATOM 624 CB ALA A 43 7.408 -1.344 -9.975 1.00 0.00 C ATOM 0 H ALA A 43 5.941 -1.276 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 43 6.057 0.245 -10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.667 -1.493 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.142 -0.685 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.406 -2.305 -9.461 1.00 0.00 H new ATOM 630 N GLN A 44 4.881 -2.821 -10.131 1.00 0.00 N ATOM 631 CA GLN A 44 3.905 -3.746 -10.681 1.00 0.00 C ATOM 632 C GLN A 44 2.556 -3.048 -10.863 1.00 0.00 C ATOM 633 O GLN A 44 1.888 -3.237 -11.879 1.00 0.00 O ATOM 634 CB GLN A 44 3.766 -4.986 -9.795 1.00 0.00 C ATOM 635 CG GLN A 44 3.467 -6.229 -10.635 1.00 0.00 C ATOM 636 CD GLN A 44 3.732 -7.507 -9.836 1.00 0.00 C ATOM 637 OE1 GLN A 44 4.655 -7.594 -9.043 1.00 0.00 O ATOM 638 NE2 GLN A 44 2.873 -8.491 -10.088 1.00 0.00 N ATOM 0 H GLN A 44 5.493 -3.220 -9.419 1.00 0.00 H new ATOM 0 HA GLN A 44 4.256 -4.076 -11.659 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.685 -5.138 -9.229 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.967 -4.832 -9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.428 -6.210 -10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.085 -6.223 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.122 -8.352 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.965 -9.385 -9.605 1.00 0.00 H new ATOM 647 N LEU A 45 2.195 -2.257 -9.864 1.00 0.00 N ATOM 648 CA LEU A 45 0.938 -1.530 -9.902 1.00 0.00 C ATOM 649 C LEU A 45 1.177 -0.137 -10.488 1.00 0.00 C ATOM 650 O LEU A 45 0.289 0.436 -11.118 1.00 0.00 O ATOM 651 CB LEU A 45 0.288 -1.511 -8.517 1.00 0.00 C ATOM 652 CG LEU A 45 0.302 -2.837 -7.752 1.00 0.00 C ATOM 653 CD1 LEU A 45 -0.555 -2.749 -6.488 1.00 0.00 C ATOM 654 CD2 LEU A 45 -0.126 -3.995 -8.655 1.00 0.00 C ATOM 0 H LEU A 45 2.751 -2.103 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 45 0.226 -2.034 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.793 -0.759 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.747 -1.189 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 45 1.325 -3.038 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.528 -3.704 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.165 -1.966 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.584 -2.514 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.107 -4.925 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.136 -3.815 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.560 -4.071 -9.499 1.00 0.00 H new ATOM 666 N ASP A 46 2.380 0.369 -10.259 1.00 0.00 N ATOM 667 CA ASP A 46 2.746 1.684 -10.756 1.00 0.00 C ATOM 668 C ASP A 46 2.226 2.752 -9.792 1.00 0.00 C ATOM 669 O ASP A 46 2.021 3.900 -10.184 1.00 0.00 O ATOM 670 CB ASP A 46 2.127 1.945 -12.130 1.00 0.00 C ATOM 671 CG ASP A 46 2.908 2.917 -13.017 1.00 0.00 C ATOM 672 OD1 ASP A 46 4.141 2.734 -13.111 1.00 0.00 O ATOM 673 OD2 ASP A 46 2.255 3.822 -13.580 1.00 0.00 O ATOM 0 H ASP A 46 3.114 -0.108 -9.736 1.00 0.00 H new ATOM 0 HA ASP A 46 3.832 1.724 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.031 0.995 -12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.119 2.335 -11.990 1.00 0.00 H new ATOM 678 N LEU A 47 2.026 2.336 -8.550 1.00 0.00 N ATOM 679 CA LEU A 47 1.533 3.243 -7.527 1.00 0.00 C ATOM 680 C LEU A 47 2.708 3.735 -6.679 1.00 0.00 C ATOM 681 O LEU A 47 3.783 3.137 -6.694 1.00 0.00 O ATOM 682 CB LEU A 47 0.422 2.578 -6.712 1.00 0.00 C ATOM 683 CG LEU A 47 -0.982 2.641 -7.316 1.00 0.00 C ATOM 684 CD1 LEU A 47 -1.997 1.929 -6.419 1.00 0.00 C ATOM 685 CD2 LEU A 47 -1.389 4.087 -7.606 1.00 0.00 C ATOM 0 H LEU A 47 2.196 1.383 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 47 1.079 4.122 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.685 1.531 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.393 3.043 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.968 2.113 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.987 1.988 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.712 0.883 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.016 2.408 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.391 4.104 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.381 4.660 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.685 4.529 -8.311 1.00 0.00 H new ATOM 697 N PRO A 48 2.457 4.849 -5.941 1.00 0.00 N ATOM 698 CA PRO A 48 3.480 5.428 -5.088 1.00 0.00 C ATOM 699 C PRO A 48 3.678 4.592 -3.822 1.00 0.00 C ATOM 700 O PRO A 48 2.820 3.785 -3.467 1.00 0.00 O ATOM 701 CB PRO A 48 2.998 6.840 -4.797 1.00 0.00 C ATOM 702 CG PRO A 48 1.510 6.845 -5.110 1.00 0.00 C ATOM 703 CD PRO A 48 1.196 5.584 -5.898 1.00 0.00 C ATOM 0 HA PRO A 48 4.461 5.446 -5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.179 7.108 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.529 7.568 -5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.926 6.876 -4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.244 7.731 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.413 4.999 -5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.842 5.822 -6.901 1.00 0.00 H new ATOM 711 N LYS A 49 4.813 4.813 -3.176 1.00 0.00 N ATOM 712 CA LYS A 49 5.134 4.090 -1.958 1.00 0.00 C ATOM 713 C LYS A 49 4.147 4.487 -0.859 1.00 0.00 C ATOM 714 O LYS A 49 3.536 3.626 -0.227 1.00 0.00 O ATOM 715 CB LYS A 49 6.600 4.307 -1.575 1.00 0.00 C ATOM 716 CG LYS A 49 7.513 3.343 -2.334 1.00 0.00 C ATOM 717 CD LYS A 49 8.965 3.486 -1.874 1.00 0.00 C ATOM 718 CE LYS A 49 9.446 2.215 -1.172 1.00 0.00 C ATOM 719 NZ LYS A 49 10.882 2.324 -0.828 1.00 0.00 N ATOM 0 H LYS A 49 5.522 5.483 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 49 5.025 3.017 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.888 5.335 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.724 4.163 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.177 2.318 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.446 3.539 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.603 3.695 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.054 4.335 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.861 2.049 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.285 1.352 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.283 1.372 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.386 2.817 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.987 2.860 0.057 1.00 0.00 H new ATOM 733 N HIS A 50 4.020 5.791 -0.664 1.00 0.00 N ATOM 734 CA HIS A 50 3.117 6.313 0.348 1.00 0.00 C ATOM 735 C HIS A 50 1.747 5.649 0.204 1.00 0.00 C ATOM 736 O HIS A 50 1.198 5.131 1.176 1.00 0.00 O ATOM 737 CB HIS A 50 3.047 7.840 0.277 1.00 0.00 C ATOM 738 CG HIS A 50 3.228 8.400 -1.113 1.00 0.00 C ATOM 739 ND1 HIS A 50 4.460 8.471 -1.739 1.00 0.00 N ATOM 740 CD2 HIS A 50 2.320 8.913 -1.992 1.00 0.00 C ATOM 741 CE1 HIS A 50 4.290 9.005 -2.939 1.00 0.00 C ATOM 742 NE2 HIS A 50 2.963 9.279 -3.094 1.00 0.00 N ATOM 0 H HIS A 50 4.528 6.502 -1.190 1.00 0.00 H new ATOM 0 HA HIS A 50 3.497 6.071 1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.083 8.168 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.813 8.259 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.258 9.006 -1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.066 9.191 -3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.535 9.696 -3.921 1.00 0.00 H new ATOM 750 N THR A 51 1.232 5.686 -1.017 1.00 0.00 N ATOM 751 CA THR A 51 -0.064 5.094 -1.301 1.00 0.00 C ATOM 752 C THR A 51 -0.095 3.634 -0.844 1.00 0.00 C ATOM 753 O THR A 51 -0.976 3.237 -0.082 1.00 0.00 O ATOM 754 CB THR A 51 -0.347 5.269 -2.794 1.00 0.00 C ATOM 755 OG1 THR A 51 -0.820 6.609 -2.903 1.00 0.00 O ATOM 756 CG2 THR A 51 -1.526 4.418 -3.270 1.00 0.00 C ATOM 0 H THR A 51 1.689 6.117 -1.821 1.00 0.00 H new ATOM 0 HA THR A 51 -0.857 5.593 -0.744 1.00 0.00 H new ATOM 0 HB THR A 51 0.544 5.007 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.086 6.788 -3.829 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.684 4.580 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.310 3.365 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.425 4.703 -2.723 1.00 0.00 H new ATOM 764 N ILE A 52 0.877 2.875 -1.328 1.00 0.00 N ATOM 765 CA ILE A 52 0.971 1.468 -0.978 1.00 0.00 C ATOM 766 C ILE A 52 1.127 1.332 0.538 1.00 0.00 C ATOM 767 O ILE A 52 0.389 0.585 1.177 1.00 0.00 O ATOM 768 CB ILE A 52 2.090 0.792 -1.774 1.00 0.00 C ATOM 769 CG1 ILE A 52 1.925 1.046 -3.274 1.00 0.00 C ATOM 770 CG2 ILE A 52 2.168 -0.701 -1.451 1.00 0.00 C ATOM 771 CD1 ILE A 52 3.282 1.275 -3.944 1.00 0.00 C ATOM 0 H ILE A 52 1.606 3.208 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 52 0.054 0.946 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 52 3.039 1.236 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.425 0.195 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.286 1.915 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.971 -1.157 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.367 -0.833 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.221 -1.178 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.136 1.453 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.768 2.141 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.909 0.394 -3.806 1.00 0.00 H new ATOM 783 N ILE A 53 2.094 2.067 1.069 1.00 0.00 N ATOM 784 CA ILE A 53 2.356 2.038 2.498 1.00 0.00 C ATOM 785 C ILE A 53 1.067 2.361 3.255 1.00 0.00 C ATOM 786 O ILE A 53 0.586 1.548 4.043 1.00 0.00 O ATOM 787 CB ILE A 53 3.523 2.964 2.847 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.818 2.487 2.187 1.00 0.00 C ATOM 789 CG2 ILE A 53 3.672 3.111 4.362 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.907 3.559 2.277 1.00 0.00 C ATOM 0 H ILE A 53 2.705 2.686 0.535 1.00 0.00 H new ATOM 0 HA ILE A 53 2.667 1.040 2.809 1.00 0.00 H new ATOM 0 HB ILE A 53 3.304 3.954 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.162 1.573 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.629 2.242 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.508 3.774 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.756 3.531 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.857 2.133 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.817 3.194 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.570 4.464 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.111 3.784 3.324 1.00 0.00 H new ATOM 802 N LYS A 54 0.544 3.549 2.990 1.00 0.00 N ATOM 803 CA LYS A 54 -0.680 3.989 3.637 1.00 0.00 C ATOM 804 C LYS A 54 -1.679 2.830 3.671 1.00 0.00 C ATOM 805 O LYS A 54 -2.090 2.391 4.744 1.00 0.00 O ATOM 806 CB LYS A 54 -1.222 5.248 2.958 1.00 0.00 C ATOM 807 CG LYS A 54 -0.801 6.506 3.720 1.00 0.00 C ATOM 808 CD LYS A 54 0.426 7.154 3.075 1.00 0.00 C ATOM 809 CE LYS A 54 0.714 8.522 3.695 1.00 0.00 C ATOM 810 NZ LYS A 54 0.976 9.525 2.639 1.00 0.00 N ATOM 0 H LYS A 54 0.946 4.221 2.336 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.484 4.272 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.855 5.299 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.310 5.197 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.626 7.218 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.579 6.251 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.292 6.505 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.262 7.264 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.134 8.838 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.575 8.452 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.753 10.475 2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.978 9.485 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.381 9.321 1.811 1.00 0.00 H new ATOM 824 N PHE A 55 -2.040 2.368 2.483 1.00 0.00 N ATOM 825 CA PHE A 55 -2.983 1.269 2.363 1.00 0.00 C ATOM 826 C PHE A 55 -2.670 0.164 3.375 1.00 0.00 C ATOM 827 O PHE A 55 -3.540 -0.247 4.140 1.00 0.00 O ATOM 828 CB PHE A 55 -2.836 0.705 0.948 1.00 0.00 C ATOM 829 CG PHE A 55 -3.505 -0.656 0.748 1.00 0.00 C ATOM 830 CD1 PHE A 55 -4.628 -0.971 1.447 1.00 0.00 C ATOM 831 CD2 PHE A 55 -2.978 -1.550 -0.130 1.00 0.00 C ATOM 832 CE1 PHE A 55 -5.250 -2.234 1.261 1.00 0.00 C ATOM 833 CE2 PHE A 55 -3.599 -2.814 -0.316 1.00 0.00 C ATOM 834 CZ PHE A 55 -4.722 -3.129 0.383 1.00 0.00 C ATOM 0 H PHE A 55 -1.697 2.735 1.595 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.995 1.625 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.261 1.415 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.776 0.615 0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.047 -0.260 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.087 -1.299 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.142 -2.484 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.179 -3.525 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.195 -4.090 0.241 1.00 0.00 H new ATOM 844 N PHE A 56 -1.423 -0.284 3.345 1.00 0.00 N ATOM 845 CA PHE A 56 -0.984 -1.333 4.250 1.00 0.00 C ATOM 846 C PHE A 56 -1.255 -0.950 5.706 1.00 0.00 C ATOM 847 O PHE A 56 -1.828 -1.733 6.462 1.00 0.00 O ATOM 848 CB PHE A 56 0.525 -1.494 4.049 1.00 0.00 C ATOM 849 CG PHE A 56 0.911 -2.675 3.157 1.00 0.00 C ATOM 850 CD1 PHE A 56 0.973 -3.929 3.679 1.00 0.00 C ATOM 851 CD2 PHE A 56 1.193 -2.470 1.842 1.00 0.00 C ATOM 852 CE1 PHE A 56 1.332 -5.026 2.851 1.00 0.00 C ATOM 853 CE2 PHE A 56 1.552 -3.567 1.015 1.00 0.00 C ATOM 854 CZ PHE A 56 1.614 -4.821 1.536 1.00 0.00 C ATOM 0 H PHE A 56 -0.704 0.060 2.709 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.523 -2.256 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.923 -0.578 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.000 -1.617 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.749 -4.091 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.144 -1.474 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.381 -6.022 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.776 -3.405 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.887 -5.655 0.906 1.00 0.00 H new ATOM 864 N GLN A 57 -0.830 0.255 6.056 1.00 0.00 N ATOM 865 CA GLN A 57 -1.019 0.752 7.409 1.00 0.00 C ATOM 866 C GLN A 57 -2.427 0.417 7.905 1.00 0.00 C ATOM 867 O GLN A 57 -2.635 0.204 9.098 1.00 0.00 O ATOM 868 CB GLN A 57 -0.755 2.257 7.482 1.00 0.00 C ATOM 869 CG GLN A 57 0.691 2.580 7.102 1.00 0.00 C ATOM 870 CD GLN A 57 1.107 3.950 7.640 1.00 0.00 C ATOM 871 OE1 GLN A 57 1.968 4.599 6.861 1.00 0.00 O flip ATOM 872 NE2 GLN A 57 0.675 4.390 8.693 1.00 0.00 N flip ATOM 0 H GLN A 57 -0.355 0.902 5.426 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.298 0.258 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.436 2.782 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.959 2.617 8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.355 1.812 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.798 2.564 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.016 3.840 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.973 5.308 9.023 1.00 0.00 H new ATOM 881 N ASN A 58 -3.359 0.382 6.963 1.00 0.00 N ATOM 882 CA ASN A 58 -4.741 0.076 7.289 1.00 0.00 C ATOM 883 C ASN A 58 -4.908 -1.439 7.417 1.00 0.00 C ATOM 884 O ASN A 58 -5.561 -1.919 8.343 1.00 0.00 O ATOM 885 CB ASN A 58 -5.687 0.565 6.191 1.00 0.00 C ATOM 886 CG ASN A 58 -7.144 0.508 6.656 1.00 0.00 C ATOM 887 OD1 ASN A 58 -7.581 -0.432 7.299 1.00 0.00 O ATOM 888 ND2 ASN A 58 -7.868 1.564 6.296 1.00 0.00 N ATOM 0 H ASN A 58 -3.183 0.561 5.974 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.985 0.578 8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.430 1.587 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.562 -0.049 5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.852 1.621 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.439 2.317 5.758 1.00 0.00 H new ATOM 895 N GLN A 59 -4.307 -2.150 6.475 1.00 0.00 N ATOM 896 CA GLN A 59 -4.381 -3.601 6.470 1.00 0.00 C ATOM 897 C GLN A 59 -4.039 -4.154 7.855 1.00 0.00 C ATOM 898 O GLN A 59 -4.826 -4.895 8.443 1.00 0.00 O ATOM 899 CB GLN A 59 -3.461 -4.194 5.401 1.00 0.00 C ATOM 900 CG GLN A 59 -4.269 -4.737 4.222 1.00 0.00 C ATOM 901 CD GLN A 59 -5.368 -5.688 4.701 1.00 0.00 C ATOM 902 OE1 GLN A 59 -6.548 -5.377 4.677 1.00 0.00 O ATOM 903 NE2 GLN A 59 -4.916 -6.860 5.138 1.00 0.00 N ATOM 0 H GLN A 59 -3.766 -1.748 5.709 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.402 -3.892 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.767 -3.431 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.862 -4.994 5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.715 -3.909 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.606 -5.260 3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.915 -7.055 5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.570 -7.563 5.481 1.00 0.00 H new ATOM 912 N ARG A 60 -2.865 -3.774 8.336 1.00 0.00 N ATOM 913 CA ARG A 60 -2.410 -4.222 9.641 1.00 0.00 C ATOM 914 C ARG A 60 -3.576 -4.245 10.631 1.00 0.00 C ATOM 915 O ARG A 60 -4.008 -5.314 11.063 1.00 0.00 O ATOM 916 CB ARG A 60 -1.308 -3.310 10.184 1.00 0.00 C ATOM 917 CG ARG A 60 0.035 -3.618 9.519 1.00 0.00 C ATOM 918 CD ARG A 60 0.682 -2.343 8.973 1.00 0.00 C ATOM 919 NE ARG A 60 2.153 -2.422 9.111 1.00 0.00 N ATOM 920 CZ ARG A 60 3.016 -1.708 8.376 1.00 0.00 C ATOM 921 NH1 ARG A 60 2.561 -0.858 7.446 1.00 0.00 N ATOM 922 NH2 ARG A 60 4.335 -1.845 8.571 1.00 0.00 N ATOM 0 H ARG A 60 -2.215 -3.160 7.845 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.008 -5.228 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.574 -2.268 10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.222 -3.440 11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.703 -4.089 10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.112 -4.332 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.414 -2.209 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.304 -1.474 9.512 1.00 0.00 H new ATOM 0 HE ARG A 60 2.534 -3.060 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.557 -0.754 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.218 -0.315 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.681 -2.493 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.992 -1.302 8.012 1.00 0.00 H new ATOM 936 N TYR A 61 -4.054 -3.055 10.962 1.00 0.00 N ATOM 937 CA TYR A 61 -5.162 -2.925 11.893 1.00 0.00 C ATOM 938 C TYR A 61 -6.255 -3.952 11.591 1.00 0.00 C ATOM 939 O TYR A 61 -6.832 -4.537 12.506 1.00 0.00 O ATOM 940 CB TYR A 61 -5.727 -1.519 11.683 1.00 0.00 C ATOM 941 CG TYR A 61 -7.096 -1.295 12.329 1.00 0.00 C ATOM 942 CD1 TYR A 61 -7.199 -1.171 13.700 1.00 0.00 C ATOM 943 CD2 TYR A 61 -8.227 -1.218 11.542 1.00 0.00 C ATOM 944 CE1 TYR A 61 -8.487 -0.960 14.309 1.00 0.00 C ATOM 945 CE2 TYR A 61 -9.514 -1.008 12.151 1.00 0.00 C ATOM 946 CZ TYR A 61 -9.581 -0.889 13.504 1.00 0.00 C ATOM 947 OH TYR A 61 -10.797 -0.690 14.079 1.00 0.00 O ATOM 0 H TYR A 61 -3.694 -2.171 10.602 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.825 -3.091 12.916 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.023 -0.792 12.087 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.806 -1.326 10.613 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.314 -1.232 14.316 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.146 -1.315 10.469 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.582 -0.860 15.380 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.407 -0.946 11.547 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.487 -0.659 13.383 1.00 0.00 H new ATOM 957 N HIS A 62 -6.506 -4.140 10.304 1.00 0.00 N ATOM 958 CA HIS A 62 -7.520 -5.086 9.869 1.00 0.00 C ATOM 959 C HIS A 62 -6.916 -6.491 9.804 1.00 0.00 C ATOM 960 O HIS A 62 -6.566 -6.970 8.727 1.00 0.00 O ATOM 961 CB HIS A 62 -8.141 -4.646 8.543 1.00 0.00 C ATOM 962 CG HIS A 62 -9.391 -3.812 8.696 1.00 0.00 C ATOM 963 ND1 HIS A 62 -10.373 -4.098 9.627 1.00 0.00 N ATOM 964 CD2 HIS A 62 -9.806 -2.697 8.029 1.00 0.00 C ATOM 965 CE1 HIS A 62 -11.332 -3.191 9.516 1.00 0.00 C ATOM 966 NE2 HIS A 62 -10.979 -2.324 8.525 1.00 0.00 N ATOM 0 H HIS A 62 -6.025 -3.653 9.548 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.334 -5.111 10.593 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.403 -4.075 7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.377 -5.531 7.953 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -9.271 -2.202 7.232 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.235 -3.146 10.107 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.526 -1.521 8.216 1.00 0.00 H new ATOM 974 N VAL A 63 -6.814 -7.110 10.971 1.00 0.00 N ATOM 975 CA VAL A 63 -6.259 -8.450 11.060 1.00 0.00 C ATOM 976 C VAL A 63 -6.814 -9.146 12.305 1.00 0.00 C ATOM 977 O VAL A 63 -6.804 -8.576 13.395 1.00 0.00 O ATOM 978 CB VAL A 63 -4.730 -8.386 11.043 1.00 0.00 C ATOM 979 CG1 VAL A 63 -4.120 -9.739 11.413 1.00 0.00 C ATOM 980 CG2 VAL A 63 -4.217 -7.906 9.684 1.00 0.00 C ATOM 0 H VAL A 63 -7.106 -6.709 11.862 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.556 -9.044 10.196 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.417 -7.661 11.795 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.033 -9.666 11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.446 -10.024 12.413 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.446 -10.493 10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.128 -7.869 9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.547 -8.595 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.611 -6.911 9.477 1.00 0.00 H new ATOM 990 N LYS A 64 -7.286 -10.367 12.100 1.00 0.00 N ATOM 991 CA LYS A 64 -7.844 -11.146 13.192 1.00 0.00 C ATOM 992 C LYS A 64 -9.092 -10.442 13.729 1.00 0.00 C ATOM 993 O LYS A 64 -9.220 -9.224 13.613 1.00 0.00 O ATOM 994 CB LYS A 64 -6.781 -11.412 14.259 1.00 0.00 C ATOM 995 CG LYS A 64 -6.154 -12.796 14.076 1.00 0.00 C ATOM 996 CD LYS A 64 -6.449 -13.695 15.279 1.00 0.00 C ATOM 997 CE LYS A 64 -6.934 -15.073 14.827 1.00 0.00 C ATOM 998 NZ LYS A 64 -5.819 -16.046 14.843 1.00 0.00 N ATOM 0 H LYS A 64 -7.293 -10.836 11.194 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.159 -12.128 12.838 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.006 -10.648 14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.229 -11.340 15.250 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.542 -13.258 13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.076 -12.697 13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.550 -13.803 15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.205 -13.228 15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.734 -15.417 15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.352 -15.006 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.166 -16.976 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.068 -15.724 14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.438 -16.122 15.808 1.00 0.00 H new ATOM 1012 N HIS A 65 -9.980 -11.239 14.306 1.00 0.00 N ATOM 1013 CA HIS A 65 -11.213 -10.707 14.862 1.00 0.00 C ATOM 1014 C HIS A 65 -12.191 -10.390 13.729 1.00 0.00 C ATOM 1015 O HIS A 65 -13.249 -11.010 13.626 1.00 0.00 O ATOM 1016 CB HIS A 65 -10.929 -9.498 15.755 1.00 0.00 C ATOM 1017 CG HIS A 65 -11.351 -9.685 17.193 1.00 0.00 C ATOM 1018 ND1 HIS A 65 -12.114 -8.754 17.877 1.00 0.00 N ATOM 1019 CD2 HIS A 65 -11.110 -10.703 18.068 1.00 0.00 C ATOM 1020 CE1 HIS A 65 -12.316 -9.202 19.107 1.00 0.00 C ATOM 1021 NE2 HIS A 65 -11.693 -10.410 19.224 1.00 0.00 N ATOM 0 H HIS A 65 -9.870 -12.249 14.400 1.00 0.00 H new ATOM 0 HA HIS A 65 -11.681 -11.456 15.501 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.861 -9.280 15.726 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.443 -8.628 15.346 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.541 -11.596 17.856 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.876 -8.699 19.882 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.678 -10.992 20.062 1.00 0.00 H new ATOM 1029 N SER A 66 -11.804 -9.425 12.908 1.00 0.00 N ATOM 1030 CA SER A 66 -12.633 -9.019 11.786 1.00 0.00 C ATOM 1031 C SER A 66 -12.011 -9.499 10.474 1.00 0.00 C ATOM 1032 O SER A 66 -11.062 -8.896 9.975 1.00 0.00 O ATOM 1033 CB SER A 66 -12.820 -7.500 11.761 1.00 0.00 C ATOM 1034 OG SER A 66 -13.264 -6.996 13.018 1.00 0.00 O ATOM 0 H SER A 66 -10.927 -8.912 12.997 1.00 0.00 H new ATOM 0 HA SER A 66 -13.615 -9.477 11.903 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.878 -7.023 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.543 -7.236 10.989 1.00 0.00 H new ATOM 0 HG SER A 66 -13.370 -6.023 12.962 1.00 0.00 H new ATOM 1040 N GLY A 67 -12.572 -10.580 9.951 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.084 -11.148 8.706 1.00 0.00 C ATOM 1042 C GLY A 67 -12.249 -10.159 7.550 1.00 0.00 C ATOM 1043 O GLY A 67 -13.305 -9.546 7.399 1.00 0.00 O ATOM 0 H GLY A 67 -13.360 -11.077 10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.033 -11.417 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.627 -12.067 8.484 1.00 0.00 H new ATOM 1047 N PRO A 68 -11.162 -10.031 6.743 1.00 0.00 N ATOM 1048 CA PRO A 68 -11.176 -9.128 5.605 1.00 0.00 C ATOM 1049 C PRO A 68 -12.005 -9.706 4.456 1.00 0.00 C ATOM 1050 O PRO A 68 -11.489 -9.916 3.359 1.00 0.00 O ATOM 1051 CB PRO A 68 -9.714 -8.929 5.242 1.00 0.00 C ATOM 1052 CG PRO A 68 -8.964 -10.084 5.886 1.00 0.00 C ATOM 1053 CD PRO A 68 -9.895 -10.742 6.891 1.00 0.00 C ATOM 0 HA PRO A 68 -11.649 -8.173 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.577 -8.929 4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.347 -7.971 5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.649 -10.803 5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.061 -9.725 6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.012 -11.806 6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.508 -10.654 7.906 1.00 0.00 H new ATOM 1061 N SER A 69 -13.275 -9.945 4.747 1.00 0.00 N ATOM 1062 CA SER A 69 -14.180 -10.495 3.752 1.00 0.00 C ATOM 1063 C SER A 69 -13.525 -11.687 3.051 1.00 0.00 C ATOM 1064 O SER A 69 -12.932 -11.535 1.983 1.00 0.00 O ATOM 1065 CB SER A 69 -14.582 -9.432 2.727 1.00 0.00 C ATOM 1066 OG SER A 69 -15.870 -8.887 3.001 1.00 0.00 O ATOM 0 H SER A 69 -13.699 -9.768 5.658 1.00 0.00 H new ATOM 0 HA SER A 69 -15.084 -10.832 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.842 -8.631 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.579 -9.871 1.729 1.00 0.00 H new ATOM 0 HG SER A 69 -16.090 -8.211 2.326 1.00 0.00 H new ATOM 1072 N SER A 70 -13.654 -12.846 3.679 1.00 0.00 N ATOM 1073 CA SER A 70 -13.082 -14.063 3.129 1.00 0.00 C ATOM 1074 C SER A 70 -14.162 -14.867 2.402 1.00 0.00 C ATOM 1075 O SER A 70 -14.960 -15.556 3.037 1.00 0.00 O ATOM 1076 CB SER A 70 -12.435 -14.912 4.225 1.00 0.00 C ATOM 1077 OG SER A 70 -11.580 -15.917 3.687 1.00 0.00 O ATOM 0 H SER A 70 -14.146 -12.968 4.564 1.00 0.00 H new ATOM 0 HA SER A 70 -12.305 -13.784 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.862 -14.268 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.213 -15.382 4.826 1.00 0.00 H new ATOM 0 HG SER A 70 -11.185 -16.436 4.418 1.00 0.00 H new ATOM 1083 N GLY A 71 -14.153 -14.753 1.082 1.00 0.00 N ATOM 1084 CA GLY A 71 -15.122 -15.461 0.263 1.00 0.00 C ATOM 1085 C GLY A 71 -14.688 -16.909 0.028 1.00 0.00 C ATOM 1086 O GLY A 71 -14.886 -17.768 0.886 1.00 0.00 O ATOM 0 H GLY A 71 -13.490 -14.181 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.097 -15.444 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.236 -14.952 -0.694 1.00 0.00 H new TER 1090 GLY A 71