USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 392 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: X 35 THR OG1 : rot -41:sc= 2 USER MOD Set 1.2: X 36 LYS NZ :NH3+ 168:sc= 1.2 (180deg=-0.105) USER MOD Set 2.1: X 34 GLN : amide:sc= 1.07 K(o=1.1,f=0.057) USER MOD Set 2.2: X 38 TYR OH : rot 180:sc= 0 USER MOD Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 13 SER OG : rot 156:sc= 1.24 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.5) USER MOD Single : X 17 MET CE :methyl -166:sc= -0.609 (180deg=-1.09) USER MOD Single : X 19 SER OG : rot 81:sc= 0.352 USER MOD Single : X 20 MET CE :methyl -164:sc= -0.0864 (180deg=-0.537) USER MOD Single : X 23 SER OG : rot 180:sc= -0.0689 USER MOD Single : X 30 THR OG1 : rot 180:sc= -1.45! USER MOD Single : X 37 ASN : amide:sc= -0.867 X(o=-0.87,f=-0.77) USER MOD Single : X 46 THR OG1 : rot 106:sc= 1.95 USER MOD Single : X 48 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.1!) USER MOD Single : X 49 TYR OH : rot 128:sc= 0.326 USER MOD Single : X 50 SER OG : rot -51:sc= 0.504 USER MOD Single : X 51 LYS NZ :NH3+ -161:sc= -0.0636 (180deg=-0.396) USER MOD Single : X 52 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 19.851 5.244 3.997 1.00 0.00 N ATOM 2 CA GLY X 1 20.013 4.894 2.564 1.00 0.00 C ATOM 3 C GLY X 1 21.382 5.270 2.035 1.00 0.00 C ATOM 4 O GLY X 1 21.533 6.271 1.332 1.00 0.00 O ATOM 0 H1 GLY X 1 18.900 4.969 4.316 1.00 0.00 H new ATOM 0 H2 GLY X 1 20.565 4.739 4.560 1.00 0.00 H new ATOM 0 H3 GLY X 1 19.974 6.269 4.120 1.00 0.00 H new ATOM 0 HA2 GLY X 1 19.856 3.823 2.433 1.00 0.00 H new ATOM 0 HA3 GLY X 1 19.247 5.402 1.979 1.00 0.00 H new ATOM 10 N SER X 2 22.387 4.475 2.379 1.00 0.00 N ATOM 11 CA SER X 2 23.750 4.730 1.940 1.00 0.00 C ATOM 12 C SER X 2 24.031 4.011 0.625 1.00 0.00 C ATOM 13 O SER X 2 23.787 2.812 0.501 1.00 0.00 O ATOM 14 CB SER X 2 24.738 4.272 3.013 1.00 0.00 C ATOM 15 OG SER X 2 24.488 4.928 4.248 1.00 0.00 O ATOM 0 H SER X 2 22.282 3.645 2.963 1.00 0.00 H new ATOM 0 HA SER X 2 23.871 5.801 1.780 1.00 0.00 H new ATOM 0 HB2 SER X 2 24.660 3.193 3.148 1.00 0.00 H new ATOM 0 HB3 SER X 2 25.757 4.479 2.687 1.00 0.00 H new ATOM 0 HG SER X 2 25.131 4.618 4.919 1.00 0.00 H new ATOM 21 N PRO X 3 24.522 4.742 -0.385 1.00 0.00 N ATOM 22 CA PRO X 3 24.810 4.171 -1.703 1.00 0.00 C ATOM 23 C PRO X 3 26.083 3.323 -1.698 1.00 0.00 C ATOM 24 O PRO X 3 26.899 3.426 -0.781 1.00 0.00 O ATOM 25 CB PRO X 3 24.987 5.408 -2.587 1.00 0.00 C ATOM 26 CG PRO X 3 25.440 6.485 -1.658 1.00 0.00 C ATOM 27 CD PRO X 3 24.804 6.190 -0.327 1.00 0.00 C ATOM 0 HA PRO X 3 24.024 3.497 -2.044 1.00 0.00 H new ATOM 0 HB2 PRO X 3 25.721 5.230 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO X 3 24.053 5.678 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO X 3 26.527 6.496 -1.576 1.00 0.00 H new ATOM 0 HG3 PRO X 3 25.138 7.466 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.472 6.435 0.499 1.00 0.00 H new ATOM 0 HD3 PRO X 3 23.892 6.770 -0.182 1.00 0.00 H new ATOM 35 N PRO X 4 26.273 2.461 -2.716 1.00 0.00 N ATOM 36 CA PRO X 4 27.451 1.590 -2.813 1.00 0.00 C ATOM 37 C PRO X 4 28.697 2.344 -3.270 1.00 0.00 C ATOM 38 O PRO X 4 29.722 1.747 -3.606 1.00 0.00 O ATOM 39 CB PRO X 4 27.045 0.534 -3.855 1.00 0.00 C ATOM 40 CG PRO X 4 25.615 0.816 -4.201 1.00 0.00 C ATOM 41 CD PRO X 4 25.362 2.251 -3.844 1.00 0.00 C ATOM 0 HA PRO X 4 27.717 1.164 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO X 4 27.679 0.596 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO X 4 27.157 -0.473 -3.453 1.00 0.00 H new ATOM 0 HG2 PRO X 4 25.432 0.643 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO X 4 24.946 0.156 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO X 4 25.583 2.921 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO X 4 24.323 2.423 -3.564 1.00 0.00 H new ATOM 49 N GLU X 5 28.609 3.656 -3.208 1.00 0.00 N ATOM 50 CA GLU X 5 29.712 4.544 -3.529 1.00 0.00 C ATOM 51 C GLU X 5 29.518 5.842 -2.760 1.00 0.00 C ATOM 52 O GLU X 5 28.485 6.498 -2.919 1.00 0.00 O ATOM 53 CB GLU X 5 29.775 4.791 -5.046 1.00 0.00 C ATOM 54 CG GLU X 5 30.885 5.733 -5.492 1.00 0.00 C ATOM 55 CD GLU X 5 30.423 7.171 -5.590 1.00 0.00 C ATOM 56 OE1 GLU X 5 29.511 7.449 -6.394 1.00 0.00 O ATOM 57 OE2 GLU X 5 30.963 8.020 -4.862 1.00 0.00 O ATOM 0 H GLU X 5 27.758 4.145 -2.930 1.00 0.00 H new ATOM 0 HA GLU X 5 30.661 4.093 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU X 5 29.905 3.834 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU X 5 28.818 5.198 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU X 5 31.715 5.669 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU X 5 31.263 5.410 -6.462 1.00 0.00 H new ATOM 64 N ALA X 6 30.426 6.088 -1.803 1.00 0.00 N ATOM 65 CA ALA X 6 30.305 7.184 -0.833 1.00 0.00 C ATOM 66 C ALA X 6 29.386 6.767 0.305 1.00 0.00 C ATOM 67 O ALA X 6 28.544 7.532 0.774 1.00 0.00 O ATOM 68 CB ALA X 6 29.836 8.489 -1.466 1.00 0.00 C ATOM 0 H ALA X 6 31.270 5.528 -1.681 1.00 0.00 H new ATOM 0 HA ALA X 6 31.302 7.382 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.766 9.261 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA X 6 30.549 8.800 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.857 8.341 -1.922 1.00 0.00 H new ATOM 74 N ASP X 7 29.671 5.585 0.825 1.00 0.00 N ATOM 75 CA ASP X 7 29.018 5.065 2.011 1.00 0.00 C ATOM 76 C ASP X 7 29.833 5.523 3.204 1.00 0.00 C ATOM 77 O ASP X 7 31.025 5.733 3.048 1.00 0.00 O ATOM 78 CB ASP X 7 28.980 3.525 1.907 1.00 0.00 C ATOM 79 CG ASP X 7 28.409 2.820 3.119 1.00 0.00 C ATOM 80 OD1 ASP X 7 29.102 2.743 4.150 1.00 0.00 O ATOM 81 OD2 ASP X 7 27.269 2.330 3.033 1.00 0.00 O ATOM 0 H ASP X 7 30.369 4.955 0.431 1.00 0.00 H new ATOM 0 HA ASP X 7 27.994 5.423 2.115 1.00 0.00 H new ATOM 0 HB2 ASP X 7 28.391 3.249 1.033 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.993 3.161 1.737 1.00 0.00 H new ATOM 86 N PRO X 8 29.231 5.737 4.389 1.00 0.00 N ATOM 87 CA PRO X 8 29.968 6.212 5.573 1.00 0.00 C ATOM 88 C PRO X 8 31.282 5.454 5.807 1.00 0.00 C ATOM 89 O PRO X 8 32.224 5.990 6.390 1.00 0.00 O ATOM 90 CB PRO X 8 28.986 5.949 6.712 1.00 0.00 C ATOM 91 CG PRO X 8 27.642 6.082 6.081 1.00 0.00 C ATOM 92 CD PRO X 8 27.789 5.580 4.668 1.00 0.00 C ATOM 0 HA PRO X 8 30.271 7.254 5.473 1.00 0.00 H new ATOM 0 HB2 PRO X 8 29.128 4.956 7.138 1.00 0.00 H new ATOM 0 HB3 PRO X 8 29.117 6.665 7.523 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.897 5.501 6.625 1.00 0.00 H new ATOM 0 HG3 PRO X 8 27.307 7.119 6.093 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.475 4.540 4.578 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.181 6.158 3.972 1.00 0.00 H new ATOM 100 N ARG X 9 31.341 4.222 5.313 1.00 0.00 N ATOM 101 CA ARG X 9 32.534 3.390 5.418 1.00 0.00 C ATOM 102 C ARG X 9 33.494 3.630 4.252 1.00 0.00 C ATOM 103 O ARG X 9 34.711 3.590 4.414 1.00 0.00 O ATOM 104 CB ARG X 9 32.120 1.926 5.414 1.00 0.00 C ATOM 105 CG ARG X 9 31.087 1.586 6.473 1.00 0.00 C ATOM 106 CD ARG X 9 30.712 0.115 6.428 1.00 0.00 C ATOM 107 NE ARG X 9 29.685 -0.228 7.408 1.00 0.00 N ATOM 108 CZ ARG X 9 28.408 0.136 7.313 1.00 0.00 C ATOM 109 NH1 ARG X 9 27.994 0.871 6.285 1.00 0.00 N ATOM 110 NH2 ARG X 9 27.554 -0.226 8.259 1.00 0.00 N ATOM 0 H ARG X 9 30.564 3.772 4.829 1.00 0.00 H new ATOM 0 HA ARG X 9 33.046 3.650 6.345 1.00 0.00 H new ATOM 0 HB2 ARG X 9 31.719 1.673 4.432 1.00 0.00 H new ATOM 0 HB3 ARG X 9 33.004 1.306 5.567 1.00 0.00 H new ATOM 0 HG2 ARG X 9 31.480 1.833 7.459 1.00 0.00 H new ATOM 0 HG3 ARG X 9 30.196 2.195 6.323 1.00 0.00 H new ATOM 0 HD2 ARG X 9 30.355 -0.136 5.429 1.00 0.00 H new ATOM 0 HD3 ARG X 9 31.601 -0.489 6.610 1.00 0.00 H new ATOM 0 HE ARG X 9 29.964 -0.782 8.218 1.00 0.00 H new ATOM 0 HH11 ARG X 9 28.656 1.159 5.564 1.00 0.00 H new ATOM 0 HH12 ARG X 9 27.014 1.147 6.217 1.00 0.00 H new ATOM 0 HH21 ARG X 9 27.877 -0.780 9.053 1.00 0.00 H new ATOM 0 HH22 ARG X 9 26.574 0.049 8.194 1.00 0.00 H new ATOM 124 N LEU X 10 32.935 3.817 3.061 1.00 0.00 N ATOM 125 CA LEU X 10 33.724 3.989 1.857 1.00 0.00 C ATOM 126 C LEU X 10 34.197 5.423 1.733 1.00 0.00 C ATOM 127 O LEU X 10 35.266 5.674 1.209 1.00 0.00 O ATOM 128 CB LEU X 10 32.914 3.588 0.620 1.00 0.00 C ATOM 129 CG LEU X 10 32.479 2.121 0.580 1.00 0.00 C ATOM 130 CD1 LEU X 10 31.618 1.850 -0.643 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.693 1.205 0.585 1.00 0.00 C ATOM 0 H LEU X 10 31.927 3.853 2.908 1.00 0.00 H new ATOM 0 HA LEU X 10 34.597 3.340 1.924 1.00 0.00 H new ATOM 0 HB2 LEU X 10 32.025 4.217 0.567 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.508 3.800 -0.269 1.00 0.00 H new ATOM 0 HG LEU X 10 31.886 1.917 1.471 1.00 0.00 H new ATOM 0 HD11 LEU X 10 31.319 0.802 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.729 2.480 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU X 10 32.187 2.073 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU X 10 33.365 0.166 0.556 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.311 1.415 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU X 10 34.275 1.377 1.491 1.00 0.00 H new ATOM 143 N ILE X 11 33.454 6.346 2.318 1.00 0.00 N ATOM 144 CA ILE X 11 33.876 7.733 2.370 1.00 0.00 C ATOM 145 C ILE X 11 35.078 7.847 3.314 1.00 0.00 C ATOM 146 O ILE X 11 35.920 8.734 3.182 1.00 0.00 O ATOM 147 CB ILE X 11 32.701 8.651 2.816 1.00 0.00 C ATOM 148 CG1 ILE X 11 32.752 10.009 2.097 1.00 0.00 C ATOM 149 CG2 ILE X 11 32.684 8.850 4.327 1.00 0.00 C ATOM 150 CD1 ILE X 11 33.917 10.890 2.499 1.00 0.00 C ATOM 0 H ILE X 11 32.556 6.159 2.763 1.00 0.00 H new ATOM 0 HA ILE X 11 34.176 8.067 1.377 1.00 0.00 H new ATOM 0 HB ILE X 11 31.777 8.147 2.534 1.00 0.00 H new ATOM 0 HG12 ILE X 11 32.799 9.835 1.022 1.00 0.00 H new ATOM 0 HG13 ILE X 11 31.823 10.545 2.293 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.850 9.496 4.599 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.571 7.884 4.820 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.619 9.312 4.644 1.00 0.00 H new ATOM 0 HD11 ILE X 11 33.874 11.827 1.943 1.00 0.00 H new ATOM 0 HD12 ILE X 11 33.863 11.099 3.567 1.00 0.00 H new ATOM 0 HD13 ILE X 11 34.854 10.379 2.276 1.00 0.00 H new ATOM 162 N GLU X 12 35.218 6.847 4.172 1.00 0.00 N ATOM 163 CA GLU X 12 36.385 6.745 5.033 1.00 0.00 C ATOM 164 C GLU X 12 37.520 5.980 4.356 1.00 0.00 C ATOM 165 O GLU X 12 38.648 6.458 4.305 1.00 0.00 O ATOM 166 CB GLU X 12 36.032 6.044 6.346 1.00 0.00 C ATOM 167 CG GLU X 12 35.201 6.880 7.302 1.00 0.00 C ATOM 168 CD GLU X 12 34.980 6.174 8.619 1.00 0.00 C ATOM 169 OE1 GLU X 12 35.964 5.662 9.185 1.00 0.00 O ATOM 170 OE2 GLU X 12 33.831 6.145 9.096 1.00 0.00 O ATOM 0 H GLU X 12 34.538 6.096 4.290 1.00 0.00 H new ATOM 0 HA GLU X 12 36.717 7.763 5.236 1.00 0.00 H new ATOM 0 HB2 GLU X 12 35.489 5.127 6.119 1.00 0.00 H new ATOM 0 HB3 GLU X 12 36.955 5.752 6.847 1.00 0.00 H new ATOM 0 HG2 GLU X 12 35.700 7.833 7.480 1.00 0.00 H new ATOM 0 HG3 GLU X 12 34.238 7.105 6.844 1.00 0.00 H new ATOM 177 N SER X 13 37.272 4.708 4.079 1.00 0.00 N ATOM 178 CA SER X 13 38.342 3.796 3.696 1.00 0.00 C ATOM 179 C SER X 13 38.600 3.749 2.188 1.00 0.00 C ATOM 180 O SER X 13 39.714 3.456 1.760 1.00 0.00 O ATOM 181 CB SER X 13 38.009 2.396 4.205 1.00 0.00 C ATOM 182 OG SER X 13 37.635 2.435 5.574 1.00 0.00 O ATOM 0 H SER X 13 36.344 4.285 4.112 1.00 0.00 H new ATOM 0 HA SER X 13 39.258 4.172 4.151 1.00 0.00 H new ATOM 0 HB2 SER X 13 37.198 1.972 3.613 1.00 0.00 H new ATOM 0 HB3 SER X 13 38.872 1.742 4.077 1.00 0.00 H new ATOM 0 HG SER X 13 37.069 1.662 5.781 1.00 0.00 H new ATOM 188 N LEU X 14 37.592 4.041 1.378 1.00 0.00 N ATOM 189 CA LEU X 14 37.768 4.017 -0.061 1.00 0.00 C ATOM 190 C LEU X 14 38.126 5.408 -0.533 1.00 0.00 C ATOM 191 O LEU X 14 38.951 5.589 -1.423 1.00 0.00 O ATOM 192 CB LEU X 14 36.484 3.514 -0.743 1.00 0.00 C ATOM 193 CG LEU X 14 36.602 3.136 -2.228 1.00 0.00 C ATOM 194 CD1 LEU X 14 35.495 2.172 -2.619 1.00 0.00 C ATOM 195 CD2 LEU X 14 36.540 4.372 -3.113 1.00 0.00 C ATOM 0 H LEU X 14 36.655 4.294 1.691 1.00 0.00 H new ATOM 0 HA LEU X 14 38.574 3.333 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU X 14 36.126 2.642 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.721 4.286 -0.647 1.00 0.00 H new ATOM 0 HG LEU X 14 37.568 2.652 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU X 14 35.593 1.914 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.570 1.267 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU X 14 34.526 2.642 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.626 4.076 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU X 14 35.590 4.883 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.360 5.044 -2.858 1.00 0.00 H new ATOM 207 N SER X 15 37.432 6.386 0.018 1.00 0.00 N ATOM 208 CA SER X 15 37.601 7.755 -0.408 1.00 0.00 C ATOM 209 C SER X 15 38.987 8.295 -0.048 1.00 0.00 C ATOM 210 O SER X 15 39.523 9.149 -0.756 1.00 0.00 O ATOM 211 CB SER X 15 36.510 8.647 0.184 1.00 0.00 C ATOM 212 OG SER X 15 36.529 9.937 -0.402 1.00 0.00 O ATOM 0 H SER X 15 36.746 6.254 0.762 1.00 0.00 H new ATOM 0 HA SER X 15 37.512 7.769 -1.494 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.535 8.187 0.025 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.651 8.732 1.262 1.00 0.00 H new ATOM 0 HG SER X 15 35.820 10.486 -0.007 1.00 0.00 H new ATOM 218 N GLN X 16 39.569 7.813 1.056 1.00 0.00 N ATOM 219 CA GLN X 16 40.883 8.294 1.471 1.00 0.00 C ATOM 220 C GLN X 16 41.955 7.896 0.462 1.00 0.00 C ATOM 221 O GLN X 16 42.891 8.650 0.215 1.00 0.00 O ATOM 222 CB GLN X 16 41.240 7.801 2.887 1.00 0.00 C ATOM 223 CG GLN X 16 41.471 6.299 3.026 1.00 0.00 C ATOM 224 CD GLN X 16 42.910 5.894 2.766 1.00 0.00 C ATOM 225 OE1 GLN X 16 43.841 6.512 3.278 1.00 0.00 O ATOM 226 NE2 GLN X 16 43.102 4.844 1.982 1.00 0.00 N ATOM 0 H GLN X 16 39.158 7.105 1.664 1.00 0.00 H new ATOM 0 HA GLN X 16 40.842 9.383 1.504 1.00 0.00 H new ATOM 0 HB2 GLN X 16 42.140 8.320 3.217 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.438 8.091 3.566 1.00 0.00 H new ATOM 0 HG2 GLN X 16 41.187 5.985 4.030 1.00 0.00 H new ATOM 0 HG3 GLN X 16 40.819 5.771 2.330 1.00 0.00 H new ATOM 0 HE21 GLN X 16 42.303 4.358 1.576 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.049 4.522 1.784 1.00 0.00 H new ATOM 235 N MET X 17 41.792 6.737 -0.163 1.00 0.00 N ATOM 236 CA MET X 17 42.736 6.300 -1.179 1.00 0.00 C ATOM 237 C MET X 17 42.329 6.803 -2.555 1.00 0.00 C ATOM 238 O MET X 17 43.185 7.082 -3.392 1.00 0.00 O ATOM 239 CB MET X 17 42.884 4.775 -1.184 1.00 0.00 C ATOM 240 CG MET X 17 41.572 4.015 -1.122 1.00 0.00 C ATOM 241 SD MET X 17 41.821 2.233 -1.157 1.00 0.00 S ATOM 242 CE MET X 17 42.522 2.024 -2.792 1.00 0.00 C ATOM 0 H MET X 17 41.024 6.090 0.014 1.00 0.00 H new ATOM 0 HA MET X 17 43.706 6.731 -0.931 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.419 4.478 -2.086 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.501 4.480 -0.335 1.00 0.00 H new ATOM 0 HG2 MET X 17 41.038 4.288 -0.212 1.00 0.00 H new ATOM 0 HG3 MET X 17 40.943 4.309 -1.962 1.00 0.00 H new ATOM 0 HE1 MET X 17 42.502 0.969 -3.064 1.00 0.00 H new ATOM 0 HE2 MET X 17 41.939 2.596 -3.514 1.00 0.00 H new ATOM 0 HE3 MET X 17 43.552 2.380 -2.794 1.00 0.00 H new ATOM 252 N LEU X 18 41.027 6.962 -2.766 1.00 0.00 N ATOM 253 CA LEU X 18 40.514 7.486 -4.026 1.00 0.00 C ATOM 254 C LEU X 18 41.065 8.885 -4.292 1.00 0.00 C ATOM 255 O LEU X 18 41.367 9.240 -5.431 1.00 0.00 O ATOM 256 CB LEU X 18 38.981 7.529 -3.989 1.00 0.00 C ATOM 257 CG LEU X 18 38.304 8.007 -5.275 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.556 7.031 -6.412 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.812 8.189 -5.053 1.00 0.00 C ATOM 0 H LEU X 18 40.307 6.735 -2.080 1.00 0.00 H new ATOM 0 HA LEU X 18 40.837 6.826 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.613 6.530 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.673 8.182 -3.173 1.00 0.00 H new ATOM 0 HG LEU X 18 38.735 8.970 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.065 7.391 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.628 6.948 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.155 6.052 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.345 8.529 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.370 7.239 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.648 8.929 -4.270 1.00 0.00 H new ATOM 271 N SER X 19 41.116 9.698 -3.244 1.00 0.00 N ATOM 272 CA SER X 19 41.536 11.082 -3.377 1.00 0.00 C ATOM 273 C SER X 19 43.052 11.241 -3.253 1.00 0.00 C ATOM 274 O SER X 19 43.640 12.083 -3.926 1.00 0.00 O ATOM 275 CB SER X 19 40.833 11.937 -2.323 1.00 0.00 C ATOM 276 OG SER X 19 39.430 11.707 -2.342 1.00 0.00 O ATOM 0 H SER X 19 40.871 9.420 -2.294 1.00 0.00 H new ATOM 0 HA SER X 19 41.256 11.417 -4.376 1.00 0.00 H new ATOM 0 HB2 SER X 19 41.231 11.705 -1.335 1.00 0.00 H new ATOM 0 HB3 SER X 19 41.036 12.992 -2.509 1.00 0.00 H new ATOM 0 HG SER X 19 39.226 10.888 -1.844 1.00 0.00 H new ATOM 282 N MET X 20 43.673 10.506 -2.331 1.00 0.00 N ATOM 283 CA MET X 20 45.107 10.673 -2.070 1.00 0.00 C ATOM 284 C MET X 20 45.976 10.116 -3.193 1.00 0.00 C ATOM 285 O MET X 20 47.089 10.591 -3.409 1.00 0.00 O ATOM 286 CB MET X 20 45.508 10.033 -0.740 1.00 0.00 C ATOM 287 CG MET X 20 45.050 10.823 0.477 1.00 0.00 C ATOM 288 SD MET X 20 45.678 12.513 0.484 1.00 0.00 S ATOM 289 CE MET X 20 47.448 12.226 0.457 1.00 0.00 C ATOM 0 H MET X 20 43.215 9.797 -1.758 1.00 0.00 H new ATOM 0 HA MET X 20 45.281 11.748 -2.017 1.00 0.00 H new ATOM 0 HB2 MET X 20 45.090 9.028 -0.689 1.00 0.00 H new ATOM 0 HB3 MET X 20 46.593 9.929 -0.708 1.00 0.00 H new ATOM 0 HG2 MET X 20 43.961 10.844 0.503 1.00 0.00 H new ATOM 0 HG3 MET X 20 45.380 10.313 1.382 1.00 0.00 H new ATOM 0 HE1 MET X 20 47.969 13.140 0.742 1.00 0.00 H new ATOM 0 HE2 MET X 20 47.699 11.431 1.160 1.00 0.00 H new ATOM 0 HE3 MET X 20 47.754 11.932 -0.547 1.00 0.00 H new ATOM 299 N GLY X 21 45.473 9.129 -3.916 1.00 0.00 N ATOM 300 CA GLY X 21 46.243 8.569 -5.010 1.00 0.00 C ATOM 301 C GLY X 21 46.649 7.129 -4.777 1.00 0.00 C ATOM 302 O GLY X 21 47.762 6.729 -5.118 1.00 0.00 O ATOM 0 H GLY X 21 44.556 8.708 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.657 8.631 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY X 21 47.138 9.172 -5.162 1.00 0.00 H new ATOM 306 N PHE X 22 45.698 6.316 -4.346 1.00 0.00 N ATOM 307 CA PHE X 22 45.907 4.886 -4.249 1.00 0.00 C ATOM 308 C PHE X 22 44.853 4.200 -5.086 1.00 0.00 C ATOM 309 O PHE X 22 43.821 4.802 -5.388 1.00 0.00 O ATOM 310 CB PHE X 22 45.816 4.406 -2.802 1.00 0.00 C ATOM 311 CG PHE X 22 46.961 4.844 -1.934 1.00 0.00 C ATOM 312 CD1 PHE X 22 48.264 4.520 -2.271 1.00 0.00 C ATOM 313 CD2 PHE X 22 46.732 5.562 -0.772 1.00 0.00 C ATOM 314 CE1 PHE X 22 49.317 4.904 -1.466 1.00 0.00 C ATOM 315 CE2 PHE X 22 47.783 5.951 0.035 1.00 0.00 C ATOM 316 CZ PHE X 22 49.078 5.620 -0.313 1.00 0.00 C ATOM 0 H PHE X 22 44.770 6.627 -4.057 1.00 0.00 H new ATOM 0 HA PHE X 22 46.906 4.643 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.885 4.771 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.765 3.317 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE X 22 48.459 3.960 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE X 22 45.721 5.820 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE X 22 50.329 4.643 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE X 22 47.593 6.513 0.937 1.00 0.00 H new ATOM 0 HZ PHE X 22 49.902 5.922 0.317 1.00 0.00 H new ATOM 326 N SER X 23 45.083 2.958 -5.462 1.00 0.00 N ATOM 327 CA SER X 23 44.110 2.249 -6.265 1.00 0.00 C ATOM 328 C SER X 23 44.139 0.770 -5.933 1.00 0.00 C ATOM 329 O SER X 23 45.016 0.311 -5.199 1.00 0.00 O ATOM 330 CB SER X 23 44.396 2.439 -7.760 1.00 0.00 C ATOM 331 OG SER X 23 44.678 3.797 -8.067 1.00 0.00 O ATOM 0 H SER X 23 45.922 2.426 -5.229 1.00 0.00 H new ATOM 0 HA SER X 23 43.124 2.655 -6.040 1.00 0.00 H new ATOM 0 HB2 SER X 23 45.241 1.816 -8.052 1.00 0.00 H new ATOM 0 HB3 SER X 23 43.537 2.104 -8.341 1.00 0.00 H new ATOM 0 HG SER X 23 44.857 3.885 -9.026 1.00 0.00 H new ATOM 337 N ASP X 24 43.267 0.010 -6.572 1.00 0.00 N ATOM 338 CA ASP X 24 43.299 -1.433 -6.437 1.00 0.00 C ATOM 339 C ASP X 24 44.292 -2.027 -7.421 1.00 0.00 C ATOM 340 O ASP X 24 44.314 -1.670 -8.598 1.00 0.00 O ATOM 341 CB ASP X 24 41.907 -2.044 -6.631 1.00 0.00 C ATOM 342 CG ASP X 24 41.190 -1.529 -7.859 1.00 0.00 C ATOM 343 OD1 ASP X 24 41.603 -1.871 -8.978 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.210 -0.781 -7.698 1.00 0.00 O ATOM 0 H ASP X 24 42.534 0.366 -7.185 1.00 0.00 H new ATOM 0 HA ASP X 24 43.622 -1.673 -5.424 1.00 0.00 H new ATOM 0 HB2 ASP X 24 42.001 -3.128 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP X 24 41.300 -1.834 -5.750 1.00 0.00 H new ATOM 349 N GLU X 25 45.161 -2.879 -6.910 1.00 0.00 N ATOM 350 CA GLU X 25 46.214 -3.475 -7.720 1.00 0.00 C ATOM 351 C GLU X 25 45.639 -4.466 -8.733 1.00 0.00 C ATOM 352 O GLU X 25 46.249 -4.736 -9.769 1.00 0.00 O ATOM 353 CB GLU X 25 47.245 -4.159 -6.812 1.00 0.00 C ATOM 354 CG GLU X 25 48.388 -4.828 -7.556 1.00 0.00 C ATOM 355 CD GLU X 25 49.279 -3.847 -8.284 1.00 0.00 C ATOM 356 OE1 GLU X 25 49.116 -2.627 -8.092 1.00 0.00 O ATOM 357 OE2 GLU X 25 50.145 -4.301 -9.053 1.00 0.00 O ATOM 0 H GLU X 25 45.160 -3.177 -5.934 1.00 0.00 H new ATOM 0 HA GLU X 25 46.709 -2.683 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.657 -3.418 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.736 -4.907 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU X 25 48.989 -5.399 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU X 25 47.979 -5.539 -8.274 1.00 0.00 H new ATOM 364 N GLY X 26 44.477 -5.016 -8.422 1.00 0.00 N ATOM 365 CA GLY X 26 43.863 -5.988 -9.312 1.00 0.00 C ATOM 366 C GLY X 26 42.347 -5.919 -9.334 1.00 0.00 C ATOM 367 O GLY X 26 41.690 -6.839 -9.814 1.00 0.00 O ATOM 0 H GLY X 26 43.947 -4.811 -7.575 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.240 -5.832 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.168 -6.989 -9.009 1.00 0.00 H new ATOM 371 N GLY X 27 41.784 -4.833 -8.822 1.00 0.00 N ATOM 372 CA GLY X 27 40.338 -4.687 -8.813 1.00 0.00 C ATOM 373 C GLY X 27 39.725 -5.230 -7.546 1.00 0.00 C ATOM 374 O GLY X 27 38.569 -5.645 -7.528 1.00 0.00 O ATOM 0 H GLY X 27 42.298 -4.052 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.079 -3.634 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY X 27 39.915 -5.207 -9.673 1.00 0.00 H new ATOM 378 N TRP X 28 40.531 -5.299 -6.500 1.00 0.00 N ATOM 379 CA TRP X 28 40.097 -5.874 -5.238 1.00 0.00 C ATOM 380 C TRP X 28 39.619 -4.808 -4.256 1.00 0.00 C ATOM 381 O TRP X 28 39.307 -5.135 -3.123 1.00 0.00 O ATOM 382 CB TRP X 28 41.248 -6.659 -4.602 1.00 0.00 C ATOM 383 CG TRP X 28 42.526 -5.878 -4.572 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.587 -6.008 -5.414 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.855 -4.816 -3.671 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.557 -5.094 -5.088 1.00 0.00 N ATOM 387 CE2 TRP X 28 44.130 -4.353 -4.022 1.00 0.00 C ATOM 388 CE3 TRP X 28 42.194 -4.217 -2.601 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.750 -3.315 -3.343 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.807 -3.191 -1.926 1.00 0.00 C ATOM 391 CH2 TRP X 28 44.074 -2.749 -2.298 1.00 0.00 C ATOM 0 H TRP X 28 41.494 -4.962 -6.500 1.00 0.00 H new ATOM 0 HA TRP X 28 39.258 -6.536 -5.454 1.00 0.00 H new ATOM 0 HB2 TRP X 28 40.974 -6.940 -3.585 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.404 -7.584 -5.158 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.655 -6.724 -6.219 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.452 -4.985 -5.564 1.00 0.00 H new ATOM 0 HE3 TRP X 28 41.212 -4.556 -2.306 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.731 -2.966 -3.629 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 42.300 -2.721 -1.096 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.533 -1.941 -1.748 1.00 0.00 H new ATOM 402 N LEU X 29 39.750 -3.531 -4.615 1.00 0.00 N ATOM 403 CA LEU X 29 39.517 -2.440 -3.657 1.00 0.00 C ATOM 404 C LEU X 29 38.171 -2.565 -2.934 1.00 0.00 C ATOM 405 O LEU X 29 38.110 -2.402 -1.718 1.00 0.00 O ATOM 406 CB LEU X 29 39.679 -1.077 -4.353 1.00 0.00 C ATOM 407 CG LEU X 29 38.838 0.084 -3.815 1.00 0.00 C ATOM 408 CD1 LEU X 29 39.243 0.447 -2.397 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.977 1.288 -4.728 1.00 0.00 C ATOM 0 H LEU X 29 40.013 -3.224 -5.551 1.00 0.00 H new ATOM 0 HA LEU X 29 40.275 -2.517 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.729 -0.790 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.442 -1.206 -5.409 1.00 0.00 H new ATOM 0 HG LEU X 29 37.795 -0.231 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU X 29 38.628 1.274 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU X 29 39.100 -0.415 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU X 29 40.292 0.743 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU X 29 38.376 2.110 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.023 1.592 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.632 1.028 -5.729 1.00 0.00 H new ATOM 421 N THR X 30 37.130 -2.985 -3.630 1.00 0.00 N ATOM 422 CA THR X 30 35.871 -3.261 -2.957 1.00 0.00 C ATOM 423 C THR X 30 35.922 -4.635 -2.283 1.00 0.00 C ATOM 424 O THR X 30 35.526 -4.788 -1.135 1.00 0.00 O ATOM 425 CB THR X 30 34.704 -3.181 -3.946 1.00 0.00 C ATOM 426 OG1 THR X 30 34.888 -4.085 -5.019 1.00 0.00 O ATOM 427 CG2 THR X 30 34.516 -1.801 -4.540 1.00 0.00 C ATOM 0 H THR X 30 37.127 -3.140 -4.638 1.00 0.00 H new ATOM 0 HA THR X 30 35.713 -2.506 -2.187 1.00 0.00 H new ATOM 0 HB THR X 30 33.818 -3.435 -3.364 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.130 -4.018 -5.637 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.674 -1.814 -5.231 1.00 0.00 H new ATOM 0 HG22 THR X 30 34.319 -1.085 -3.742 1.00 0.00 H new ATOM 0 HG23 THR X 30 35.420 -1.509 -5.075 1.00 0.00 H new ATOM 435 N ARG X 31 36.410 -5.623 -3.024 1.00 0.00 N ATOM 436 CA ARG X 31 36.517 -7.009 -2.554 1.00 0.00 C ATOM 437 C ARG X 31 37.270 -7.118 -1.224 1.00 0.00 C ATOM 438 O ARG X 31 36.708 -7.538 -0.210 1.00 0.00 O ATOM 439 CB ARG X 31 37.245 -7.860 -3.605 1.00 0.00 C ATOM 440 CG ARG X 31 36.489 -8.068 -4.915 1.00 0.00 C ATOM 441 CD ARG X 31 36.275 -6.772 -5.693 1.00 0.00 C ATOM 442 NE ARG X 31 35.409 -6.953 -6.859 1.00 0.00 N ATOM 443 CZ ARG X 31 35.768 -7.593 -7.973 1.00 0.00 C ATOM 444 NH1 ARG X 31 36.995 -8.084 -8.094 1.00 0.00 N ATOM 445 NH2 ARG X 31 34.904 -7.725 -8.967 1.00 0.00 N ATOM 0 H ARG X 31 36.747 -5.489 -3.977 1.00 0.00 H new ATOM 0 HA ARG X 31 35.501 -7.372 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG X 31 38.203 -7.390 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG X 31 37.462 -8.836 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG X 31 37.040 -8.772 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG X 31 35.521 -8.521 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG X 31 35.837 -6.024 -5.032 1.00 0.00 H new ATOM 0 HD3 ARG X 31 37.240 -6.384 -6.018 1.00 0.00 H new ATOM 0 HE ARG X 31 34.467 -6.563 -6.817 1.00 0.00 H new ATOM 0 HH11 ARG X 31 37.666 -7.972 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG X 31 37.267 -8.573 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG X 31 33.964 -7.337 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG X 31 35.178 -8.214 -9.819 1.00 0.00 H new ATOM 459 N LEU X 32 38.555 -6.788 -1.278 1.00 0.00 N ATOM 460 CA LEU X 32 39.465 -6.876 -0.138 1.00 0.00 C ATOM 461 C LEU X 32 38.890 -6.180 1.088 1.00 0.00 C ATOM 462 O LEU X 32 38.755 -6.791 2.147 1.00 0.00 O ATOM 463 CB LEU X 32 40.813 -6.251 -0.547 1.00 0.00 C ATOM 464 CG LEU X 32 41.992 -6.364 0.436 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.855 -5.389 1.591 1.00 0.00 C ATOM 466 CD2 LEU X 32 42.130 -7.779 0.956 1.00 0.00 C ATOM 0 H LEU X 32 39.003 -6.446 -2.128 1.00 0.00 H new ATOM 0 HA LEU X 32 39.607 -7.922 0.134 1.00 0.00 H new ATOM 0 HB2 LEU X 32 41.119 -6.706 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.644 -5.192 -0.744 1.00 0.00 H new ATOM 0 HG LEU X 32 42.896 -6.105 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.706 -5.499 2.263 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.827 -4.370 1.205 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.934 -5.597 2.135 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.970 -7.832 1.648 1.00 0.00 H new ATOM 0 HD22 LEU X 32 41.215 -8.067 1.473 1.00 0.00 H new ATOM 0 HD23 LEU X 32 42.305 -8.458 0.121 1.00 0.00 H new ATOM 478 N LEU X 33 38.642 -4.884 0.959 1.00 0.00 N ATOM 479 CA LEU X 33 38.188 -4.073 2.082 1.00 0.00 C ATOM 480 C LEU X 33 36.970 -4.669 2.773 1.00 0.00 C ATOM 481 O LEU X 33 36.898 -4.670 3.997 1.00 0.00 O ATOM 482 CB LEU X 33 37.872 -2.644 1.630 1.00 0.00 C ATOM 483 CG LEU X 33 39.066 -1.682 1.600 1.00 0.00 C ATOM 484 CD1 LEU X 33 40.100 -2.113 0.574 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.601 -0.266 1.313 1.00 0.00 C ATOM 0 H LEU X 33 38.748 -4.369 0.085 1.00 0.00 H new ATOM 0 HA LEU X 33 39.006 -4.055 2.802 1.00 0.00 H new ATOM 0 HB2 LEU X 33 37.436 -2.685 0.632 1.00 0.00 H new ATOM 0 HB3 LEU X 33 37.112 -2.231 2.293 1.00 0.00 H new ATOM 0 HG LEU X 33 39.536 -1.708 2.583 1.00 0.00 H new ATOM 0 HD11 LEU X 33 40.933 -1.410 0.579 1.00 0.00 H new ATOM 0 HD12 LEU X 33 40.465 -3.109 0.822 1.00 0.00 H new ATOM 0 HD13 LEU X 33 39.645 -2.130 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.461 0.403 1.295 1.00 0.00 H new ATOM 0 HD22 LEU X 33 38.099 -0.237 0.346 1.00 0.00 H new ATOM 0 HD23 LEU X 33 37.908 0.054 2.091 1.00 0.00 H new ATOM 497 N GLN X 34 35.964 -5.063 1.998 1.00 0.00 N ATOM 498 CA GLN X 34 34.701 -5.511 2.583 1.00 0.00 C ATOM 499 C GLN X 34 34.850 -6.788 3.401 1.00 0.00 C ATOM 500 O GLN X 34 34.066 -7.028 4.315 1.00 0.00 O ATOM 501 CB GLN X 34 33.637 -5.699 1.509 1.00 0.00 C ATOM 502 CG GLN X 34 33.384 -4.442 0.704 1.00 0.00 C ATOM 503 CD GLN X 34 32.007 -4.402 0.094 1.00 0.00 C ATOM 504 OE1 GLN X 34 31.629 -5.266 -0.695 1.00 0.00 O ATOM 505 NE2 GLN X 34 31.250 -3.388 0.466 1.00 0.00 N ATOM 0 H GLN X 34 35.995 -5.082 0.979 1.00 0.00 H new ATOM 0 HA GLN X 34 34.385 -4.723 3.266 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.945 -6.500 0.836 1.00 0.00 H new ATOM 0 HB3 GLN X 34 32.706 -6.017 1.979 1.00 0.00 H new ATOM 0 HG2 GLN X 34 33.516 -3.572 1.347 1.00 0.00 H new ATOM 0 HG3 GLN X 34 34.129 -4.368 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN X 34 31.610 -2.697 1.124 1.00 0.00 H new ATOM 0 HE22 GLN X 34 30.304 -3.295 0.096 1.00 0.00 H new ATOM 514 N THR X 35 35.848 -7.605 3.087 1.00 0.00 N ATOM 515 CA THR X 35 36.048 -8.841 3.832 1.00 0.00 C ATOM 516 C THR X 35 36.632 -8.566 5.219 1.00 0.00 C ATOM 517 O THR X 35 36.548 -9.411 6.112 1.00 0.00 O ATOM 518 CB THR X 35 36.934 -9.820 3.050 1.00 0.00 C ATOM 519 OG1 THR X 35 38.228 -9.286 2.824 1.00 0.00 O ATOM 520 CG2 THR X 35 36.357 -10.199 1.705 1.00 0.00 C ATOM 0 H THR X 35 36.519 -7.439 2.337 1.00 0.00 H new ATOM 0 HA THR X 35 35.071 -9.305 3.968 1.00 0.00 H new ATOM 0 HB THR X 35 36.988 -10.709 3.678 1.00 0.00 H new ATOM 0 HG1 THR X 35 38.154 -8.339 2.584 1.00 0.00 H new ATOM 0 HG21 THR X 35 37.031 -10.893 1.203 1.00 0.00 H new ATOM 0 HG22 THR X 35 35.386 -10.674 1.846 1.00 0.00 H new ATOM 0 HG23 THR X 35 36.237 -9.304 1.095 1.00 0.00 H new ATOM 528 N LYS X 36 37.179 -7.367 5.415 1.00 0.00 N ATOM 529 CA LYS X 36 37.720 -6.984 6.717 1.00 0.00 C ATOM 530 C LYS X 36 37.031 -5.734 7.263 1.00 0.00 C ATOM 531 O LYS X 36 37.666 -4.917 7.933 1.00 0.00 O ATOM 532 CB LYS X 36 39.231 -6.739 6.641 1.00 0.00 C ATOM 533 CG LYS X 36 40.033 -7.923 6.125 1.00 0.00 C ATOM 534 CD LYS X 36 40.425 -7.731 4.671 1.00 0.00 C ATOM 535 CE LYS X 36 41.269 -8.887 4.166 1.00 0.00 C ATOM 536 NZ LYS X 36 40.510 -10.163 4.151 1.00 0.00 N ATOM 0 H LYS X 36 37.259 -6.649 4.694 1.00 0.00 H new ATOM 0 HA LYS X 36 37.529 -7.816 7.395 1.00 0.00 H new ATOM 0 HB2 LYS X 36 39.416 -5.881 5.995 1.00 0.00 H new ATOM 0 HB3 LYS X 36 39.594 -6.474 7.634 1.00 0.00 H new ATOM 0 HG2 LYS X 36 40.929 -8.050 6.732 1.00 0.00 H new ATOM 0 HG3 LYS X 36 39.446 -8.836 6.228 1.00 0.00 H new ATOM 0 HD2 LYS X 36 39.527 -7.640 4.060 1.00 0.00 H new ATOM 0 HD3 LYS X 36 40.980 -6.799 4.563 1.00 0.00 H new ATOM 0 HE2 LYS X 36 41.624 -8.664 3.160 1.00 0.00 H new ATOM 0 HE3 LYS X 36 42.150 -8.996 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 41.044 -10.878 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 40.368 -10.494 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 39.586 -10.012 3.699 1.00 0.00 H new ATOM 550 N ASN X 37 35.722 -5.620 7.024 1.00 0.00 N ATOM 551 CA ASN X 37 34.926 -4.504 7.545 1.00 0.00 C ATOM 552 C ASN X 37 35.351 -3.169 6.911 1.00 0.00 C ATOM 553 O ASN X 37 35.596 -2.185 7.605 1.00 0.00 O ATOM 554 CB ASN X 37 35.030 -4.450 9.085 1.00 0.00 C ATOM 555 CG ASN X 37 34.286 -3.278 9.697 1.00 0.00 C ATOM 556 OD1 ASN X 37 33.062 -3.184 9.606 1.00 0.00 O ATOM 557 ND2 ASN X 37 35.036 -2.373 10.314 1.00 0.00 N ATOM 0 H ASN X 37 35.188 -6.290 6.470 1.00 0.00 H new ATOM 0 HA ASN X 37 33.883 -4.671 7.275 1.00 0.00 H new ATOM 0 HB2 ASN X 37 34.637 -5.378 9.501 1.00 0.00 H new ATOM 0 HB3 ASN X 37 36.081 -4.393 9.369 1.00 0.00 H new ATOM 0 HD21 ASN X 37 34.601 -1.554 10.739 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.047 -2.496 10.363 1.00 0.00 H new ATOM 564 N TYR X 38 35.378 -3.134 5.576 1.00 0.00 N ATOM 565 CA TYR X 38 35.704 -1.915 4.820 1.00 0.00 C ATOM 566 C TYR X 38 36.915 -1.204 5.418 1.00 0.00 C ATOM 567 O TYR X 38 36.780 -0.093 5.934 1.00 0.00 O ATOM 568 CB TYR X 38 34.525 -0.929 4.833 1.00 0.00 C ATOM 569 CG TYR X 38 33.199 -1.462 4.323 1.00 0.00 C ATOM 570 CD1 TYR X 38 32.564 -2.538 4.933 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.564 -0.857 3.249 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.337 -2.993 4.486 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.342 -1.308 2.794 1.00 0.00 C ATOM 574 CZ TYR X 38 30.733 -2.373 3.417 1.00 0.00 C ATOM 575 OH TYR X 38 29.512 -2.816 2.969 1.00 0.00 O ATOM 0 H TYR X 38 35.176 -3.943 4.989 1.00 0.00 H new ATOM 0 HA TYR X 38 35.922 -2.226 3.798 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.383 -0.579 5.855 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.798 -0.061 4.234 1.00 0.00 H new ATOM 0 HD1 TYR X 38 33.038 -3.027 5.771 1.00 0.00 H new ATOM 0 HD2 TYR X 38 33.035 -0.017 2.760 1.00 0.00 H new ATOM 0 HE1 TYR X 38 30.857 -3.829 4.973 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.866 -0.827 1.952 1.00 0.00 H new ATOM 0 HH TYR X 38 29.225 -2.269 2.208 1.00 0.00 H new ATOM 585 N ASP X 39 38.053 -1.878 5.495 1.00 0.00 N ATOM 586 CA ASP X 39 39.180 -1.292 6.216 1.00 0.00 C ATOM 587 C ASP X 39 40.331 -0.891 5.316 1.00 0.00 C ATOM 588 O ASP X 39 40.641 -1.543 4.321 1.00 0.00 O ATOM 589 CB ASP X 39 39.685 -2.200 7.351 1.00 0.00 C ATOM 590 CG ASP X 39 40.428 -3.444 6.898 1.00 0.00 C ATOM 591 OD1 ASP X 39 40.317 -3.834 5.723 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.117 -4.045 7.750 1.00 0.00 O ATOM 0 H ASP X 39 38.222 -2.797 5.085 1.00 0.00 H new ATOM 0 HA ASP X 39 38.782 -0.378 6.656 1.00 0.00 H new ATOM 0 HB2 ASP X 39 40.343 -1.617 7.996 1.00 0.00 H new ATOM 0 HB3 ASP X 39 38.832 -2.505 7.958 1.00 0.00 H new ATOM 597 N ILE X 40 41.051 0.117 5.777 1.00 0.00 N ATOM 598 CA ILE X 40 42.286 0.530 5.137 1.00 0.00 C ATOM 599 C ILE X 40 43.464 -0.211 5.747 1.00 0.00 C ATOM 600 O ILE X 40 44.610 -0.037 5.326 1.00 0.00 O ATOM 601 CB ILE X 40 42.536 2.055 5.218 1.00 0.00 C ATOM 602 CG1 ILE X 40 42.204 2.618 6.610 1.00 0.00 C ATOM 603 CG2 ILE X 40 41.736 2.770 4.142 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.786 3.138 6.750 1.00 0.00 C ATOM 0 H ILE X 40 40.799 0.667 6.598 1.00 0.00 H new ATOM 0 HA ILE X 40 42.185 0.278 4.081 1.00 0.00 H new ATOM 0 HB ILE X 40 43.598 2.230 5.048 1.00 0.00 H new ATOM 0 HG12 ILE X 40 42.368 1.838 7.353 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.899 3.426 6.838 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.918 3.843 4.206 1.00 0.00 H new ATOM 0 HG22 ILE X 40 42.042 2.408 3.160 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.674 2.573 4.287 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.635 3.517 7.761 1.00 0.00 H new ATOM 0 HD12 ILE X 40 40.621 3.942 6.033 1.00 0.00 H new ATOM 0 HD13 ILE X 40 40.081 2.329 6.557 1.00 0.00 H new ATOM 616 N GLY X 41 43.174 -1.024 6.756 1.00 0.00 N ATOM 617 CA GLY X 41 44.214 -1.767 7.432 1.00 0.00 C ATOM 618 C GLY X 41 44.812 -2.826 6.544 1.00 0.00 C ATOM 619 O GLY X 41 46.027 -3.028 6.521 1.00 0.00 O ATOM 0 H GLY X 41 42.233 -1.180 7.117 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.997 -1.082 7.758 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.804 -2.233 8.328 1.00 0.00 H new ATOM 623 N ALA X 42 43.961 -3.434 5.743 1.00 0.00 N ATOM 624 CA ALA X 42 44.407 -4.407 4.762 1.00 0.00 C ATOM 625 C ALA X 42 44.560 -3.757 3.399 1.00 0.00 C ATOM 626 O ALA X 42 45.287 -4.258 2.546 1.00 0.00 O ATOM 627 CB ALA X 42 43.447 -5.584 4.692 1.00 0.00 C ATOM 0 H ALA X 42 42.954 -3.272 5.751 1.00 0.00 H new ATOM 0 HA ALA X 42 45.381 -4.784 5.074 1.00 0.00 H new ATOM 0 HB1 ALA X 42 43.802 -6.300 3.950 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.393 -6.068 5.667 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.456 -5.229 4.408 1.00 0.00 H new ATOM 633 N ALA X 43 43.889 -2.626 3.212 1.00 0.00 N ATOM 634 CA ALA X 43 43.972 -1.889 1.954 1.00 0.00 C ATOM 635 C ALA X 43 45.386 -1.384 1.701 1.00 0.00 C ATOM 636 O ALA X 43 45.915 -1.530 0.601 1.00 0.00 O ATOM 637 CB ALA X 43 42.996 -0.725 1.947 1.00 0.00 C ATOM 0 H ALA X 43 43.283 -2.199 3.913 1.00 0.00 H new ATOM 0 HA ALA X 43 43.706 -2.578 1.152 1.00 0.00 H new ATOM 0 HB1 ALA X 43 43.075 -0.190 1.001 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.980 -1.101 2.068 1.00 0.00 H new ATOM 0 HB3 ALA X 43 43.232 -0.047 2.768 1.00 0.00 H new ATOM 643 N LEU X 44 45.989 -0.778 2.723 1.00 0.00 N ATOM 644 CA LEU X 44 47.343 -0.232 2.611 1.00 0.00 C ATOM 645 C LEU X 44 48.361 -1.328 2.323 1.00 0.00 C ATOM 646 O LEU X 44 49.417 -1.067 1.747 1.00 0.00 O ATOM 647 CB LEU X 44 47.736 0.502 3.893 1.00 0.00 C ATOM 648 CG LEU X 44 48.099 1.977 3.711 1.00 0.00 C ATOM 649 CD1 LEU X 44 46.911 2.751 3.177 1.00 0.00 C ATOM 650 CD2 LEU X 44 48.573 2.576 5.023 1.00 0.00 C ATOM 0 H LEU X 44 45.561 -0.652 3.640 1.00 0.00 H new ATOM 0 HA LEU X 44 47.342 0.471 1.778 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.910 0.432 4.601 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.586 -0.013 4.342 1.00 0.00 H new ATOM 0 HG LEU X 44 48.912 2.044 2.988 1.00 0.00 H new ATOM 0 HD11 LEU X 44 47.185 3.799 3.053 1.00 0.00 H new ATOM 0 HD12 LEU X 44 46.611 2.338 2.214 1.00 0.00 H new ATOM 0 HD13 LEU X 44 46.081 2.674 3.879 1.00 0.00 H new ATOM 0 HD21 LEU X 44 48.827 3.625 4.873 1.00 0.00 H new ATOM 0 HD22 LEU X 44 47.780 2.497 5.767 1.00 0.00 H new ATOM 0 HD23 LEU X 44 49.453 2.036 5.372 1.00 0.00 H new ATOM 662 N ASP X 45 48.042 -2.545 2.740 1.00 0.00 N ATOM 663 CA ASP X 45 48.929 -3.682 2.541 1.00 0.00 C ATOM 664 C ASP X 45 49.053 -4.028 1.060 1.00 0.00 C ATOM 665 O ASP X 45 50.124 -4.407 0.597 1.00 0.00 O ATOM 666 CB ASP X 45 48.403 -4.888 3.335 1.00 0.00 C ATOM 667 CG ASP X 45 49.255 -6.134 3.189 1.00 0.00 C ATOM 668 OD1 ASP X 45 49.214 -6.776 2.119 1.00 0.00 O ATOM 669 OD2 ASP X 45 49.961 -6.480 4.156 1.00 0.00 O ATOM 0 H ASP X 45 47.171 -2.771 3.221 1.00 0.00 H new ATOM 0 HA ASP X 45 49.923 -3.419 2.903 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.345 -4.620 4.390 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.388 -5.112 3.007 1.00 0.00 H new ATOM 674 N THR X 46 47.926 -4.067 0.369 1.00 0.00 N ATOM 675 CA THR X 46 47.898 -4.576 -0.995 1.00 0.00 C ATOM 676 C THR X 46 47.962 -3.489 -2.081 1.00 0.00 C ATOM 677 O THR X 46 48.183 -3.822 -3.246 1.00 0.00 O ATOM 678 CB THR X 46 46.649 -5.430 -1.180 1.00 0.00 C ATOM 679 OG1 THR X 46 45.502 -4.726 -0.744 1.00 0.00 O ATOM 680 CG2 THR X 46 46.699 -6.737 -0.417 1.00 0.00 C ATOM 0 H THR X 46 47.023 -3.755 0.726 1.00 0.00 H new ATOM 0 HA THR X 46 48.804 -5.168 -1.125 1.00 0.00 H new ATOM 0 HB THR X 46 46.601 -5.652 -2.246 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.983 -4.433 -1.522 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.780 -7.296 -0.592 1.00 0.00 H new ATOM 0 HG22 THR X 46 47.552 -7.325 -0.757 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.802 -6.532 0.649 1.00 0.00 H new ATOM 688 N ILE X 47 47.619 -2.233 -1.763 1.00 0.00 N ATOM 689 CA ILE X 47 47.500 -1.214 -2.821 1.00 0.00 C ATOM 690 C ILE X 47 48.833 -0.924 -3.509 1.00 0.00 C ATOM 691 O ILE X 47 48.857 -0.634 -4.702 1.00 0.00 O ATOM 692 CB ILE X 47 46.961 0.134 -2.279 1.00 0.00 C ATOM 693 CG1 ILE X 47 47.656 0.500 -0.963 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.449 0.112 -2.103 1.00 0.00 C ATOM 695 CD1 ILE X 47 47.117 1.759 -0.325 1.00 0.00 C ATOM 0 H ILE X 47 47.425 -1.903 -0.818 1.00 0.00 H new ATOM 0 HA ILE X 47 46.798 -1.641 -3.537 1.00 0.00 H new ATOM 0 HB ILE X 47 47.189 0.900 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE X 47 47.548 -0.328 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE X 47 48.723 0.624 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE X 47 45.113 1.076 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE X 47 44.974 -0.083 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.176 -0.673 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE X 47 47.655 1.956 0.602 1.00 0.00 H new ATOM 0 HD12 ILE X 47 47.250 2.598 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE X 47 46.056 1.632 -0.108 1.00 0.00 H new ATOM 707 N GLN X 48 49.931 -1.066 -2.771 1.00 0.00 N ATOM 708 CA GLN X 48 51.283 -0.865 -3.306 1.00 0.00 C ATOM 709 C GLN X 48 52.310 -1.417 -2.336 1.00 0.00 C ATOM 710 O GLN X 48 53.332 -1.976 -2.738 1.00 0.00 O ATOM 711 CB GLN X 48 51.588 0.630 -3.533 1.00 0.00 C ATOM 712 CG GLN X 48 51.147 1.169 -4.884 1.00 0.00 C ATOM 713 CD GLN X 48 50.114 2.270 -4.760 1.00 0.00 C ATOM 714 OE1 GLN X 48 50.381 3.324 -4.186 1.00 0.00 O ATOM 715 NE2 GLN X 48 48.924 2.022 -5.285 1.00 0.00 N ATOM 0 H GLN X 48 49.913 -1.324 -1.784 1.00 0.00 H new ATOM 0 HA GLN X 48 51.335 -1.387 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN X 48 51.101 1.210 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.661 0.788 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.016 1.549 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN X 48 50.735 0.354 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.748 1.133 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.183 2.720 -5.222 1.00 0.00 H new ATOM 724 N TYR X 49 52.068 -1.162 -1.057 1.00 0.00 N ATOM 725 CA TYR X 49 53.000 -1.528 -0.002 1.00 0.00 C ATOM 726 C TYR X 49 52.945 -3.027 0.281 1.00 0.00 C ATOM 727 O TYR X 49 52.489 -3.816 -0.551 1.00 0.00 O ATOM 728 CB TYR X 49 52.663 -0.736 1.269 1.00 0.00 C ATOM 729 CG TYR X 49 52.565 0.757 1.042 1.00 0.00 C ATOM 730 CD1 TYR X 49 53.658 1.489 0.598 1.00 0.00 C ATOM 731 CD2 TYR X 49 51.372 1.431 1.268 1.00 0.00 C ATOM 732 CE1 TYR X 49 53.565 2.852 0.386 1.00 0.00 C ATOM 733 CE2 TYR X 49 51.271 2.792 1.059 1.00 0.00 C ATOM 734 CZ TYR X 49 52.369 3.497 0.619 1.00 0.00 C ATOM 735 OH TYR X 49 52.270 4.852 0.405 1.00 0.00 O ATOM 0 H TYR X 49 51.223 -0.697 -0.724 1.00 0.00 H new ATOM 0 HA TYR X 49 54.012 -1.286 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR X 49 51.717 -1.097 1.672 1.00 0.00 H new ATOM 0 HB3 TYR X 49 53.426 -0.932 2.022 1.00 0.00 H new ATOM 0 HD1 TYR X 49 54.596 0.986 0.415 1.00 0.00 H new ATOM 0 HD2 TYR X 49 50.509 0.881 1.613 1.00 0.00 H new ATOM 0 HE1 TYR X 49 54.424 3.408 0.040 1.00 0.00 H new ATOM 0 HE2 TYR X 49 50.336 3.301 1.240 1.00 0.00 H new ATOM 0 HH TYR X 49 51.504 5.036 -0.178 1.00 0.00 H new ATOM 745 N SER X 50 53.388 -3.408 1.468 1.00 0.00 N ATOM 746 CA SER X 50 53.359 -4.802 1.887 1.00 0.00 C ATOM 747 C SER X 50 53.470 -4.896 3.404 1.00 0.00 C ATOM 748 O SER X 50 53.870 -5.924 3.951 1.00 0.00 O ATOM 749 CB SER X 50 54.501 -5.576 1.221 1.00 0.00 C ATOM 750 OG SER X 50 54.385 -6.972 1.454 1.00 0.00 O ATOM 0 H SER X 50 53.774 -2.768 2.163 1.00 0.00 H new ATOM 0 HA SER X 50 52.411 -5.244 1.578 1.00 0.00 H new ATOM 0 HB2 SER X 50 54.496 -5.383 0.148 1.00 0.00 H new ATOM 0 HB3 SER X 50 55.457 -5.220 1.605 1.00 0.00 H new ATOM 0 HG SER X 50 54.262 -7.135 2.413 1.00 0.00 H new ATOM 756 N LYS X 51 53.124 -3.810 4.080 1.00 0.00 N ATOM 757 CA LYS X 51 53.195 -3.753 5.528 1.00 0.00 C ATOM 758 C LYS X 51 52.190 -2.738 6.047 1.00 0.00 C ATOM 759 O LYS X 51 51.917 -1.735 5.384 1.00 0.00 O ATOM 760 CB LYS X 51 54.615 -3.367 5.972 1.00 0.00 C ATOM 761 CG LYS X 51 54.770 -3.190 7.475 1.00 0.00 C ATOM 762 CD LYS X 51 56.178 -2.754 7.843 1.00 0.00 C ATOM 763 CE LYS X 51 56.270 -2.339 9.304 1.00 0.00 C ATOM 764 NZ LYS X 51 55.436 -1.142 9.601 1.00 0.00 N ATOM 0 H LYS X 51 52.789 -2.952 3.642 1.00 0.00 H new ATOM 0 HA LYS X 51 52.957 -4.734 5.938 1.00 0.00 H new ATOM 0 HB2 LYS X 51 55.311 -4.135 5.634 1.00 0.00 H new ATOM 0 HB3 LYS X 51 54.899 -2.439 5.477 1.00 0.00 H new ATOM 0 HG2 LYS X 51 54.054 -2.449 7.831 1.00 0.00 H new ATOM 0 HG3 LYS X 51 54.535 -4.128 7.979 1.00 0.00 H new ATOM 0 HD2 LYS X 51 56.874 -3.570 7.651 1.00 0.00 H new ATOM 0 HD3 LYS X 51 56.480 -1.921 7.208 1.00 0.00 H new ATOM 0 HE2 LYS X 51 55.952 -3.168 9.936 1.00 0.00 H new ATOM 0 HE3 LYS X 51 57.309 -2.127 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 55.761 -0.704 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 55.523 -0.457 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 54.441 -1.428 9.701 1.00 0.00 H new ATOM 778 N HIS X 52 51.702 -2.956 7.256 1.00 0.00 N ATOM 779 CA HIS X 52 50.805 -2.008 7.882 1.00 0.00 C ATOM 780 C HIS X 52 51.459 -1.441 9.135 1.00 0.00 C ATOM 781 O HIS X 52 51.259 -2.017 10.221 1.00 0.00 O ATOM 782 CB HIS X 52 49.468 -2.664 8.228 1.00 0.00 C ATOM 783 CG HIS X 52 48.422 -1.681 8.649 1.00 0.00 C ATOM 784 ND1 HIS X 52 47.992 -0.634 7.862 1.00 0.00 N ATOM 785 CD2 HIS X 52 47.720 -1.592 9.806 1.00 0.00 C ATOM 786 CE1 HIS X 52 47.067 0.044 8.550 1.00 0.00 C ATOM 787 NE2 HIS X 52 46.862 -0.496 9.736 1.00 0.00 N ATOM 788 OXT HIS X 52 52.189 -0.444 9.015 1.00 0.00 O ATOM 0 H HIS X 52 51.913 -3.779 7.820 1.00 0.00 H new ATOM 0 HA HIS X 52 50.606 -1.198 7.180 1.00 0.00 H new ATOM 0 HB2 HIS X 52 49.108 -3.219 7.362 1.00 0.00 H new ATOM 0 HB3 HIS X 52 49.622 -3.387 9.029 1.00 0.00 H new ATOM 0 HD2 HIS X 52 47.811 -2.263 10.647 1.00 0.00 H new ATOM 0 HE1 HIS X 52 46.554 0.920 8.182 1.00 0.00 H new ATOM 0 HE2 HIS X 52 46.210 -0.177 10.453 1.00 0.00 H new TER 796 HIS X 52