USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 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 34 GLN : amide:sc= 1.02 K(o=1,f=-0.017) USER MOD Set 1.2: X 38 TYR OH : rot 180:sc= 0 USER MOD Single : X 1 GLY N :NH3+ -120:sc= 0.101 (180deg=0) USER MOD Single : X 2 SER OG : rot 40:sc= 0.0508 USER MOD Single : X 13 SER OG : rot 85:sc= 1.17 USER MOD Single : X 15 SER OG : rot -40:sc= -1.43! USER MOD Single : X 16 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.34) USER MOD Single : X 17 MET CE :methyl -113:sc= -0.145 (180deg=-4.92!) USER MOD Single : X 19 SER OG : rot 180:sc= 0 USER MOD Single : X 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 23 SER OG : rot 180:sc= -0.0759 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 35 THR OG1 : rot 78:sc= 1.21 USER MOD Single : X 36 LYS NZ :NH3+ 161:sc= -0.199 (180deg=-0.666) USER MOD Single : X 37 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.58) USER MOD Single : X 46 THR OG1 : rot 127:sc= 1.85 USER MOD Single : X 48 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.1) USER MOD Single : X 49 TYR OH : rot 180:sc= -0.176 USER MOD Single : X 50 SER OG : rot 50:sc= 0.682 USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 52 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 21.979 0.808 -4.681 1.00 0.00 N ATOM 2 CA GLY X 1 22.671 0.588 -3.385 1.00 0.00 C ATOM 3 C GLY X 1 23.472 1.798 -2.954 1.00 0.00 C ATOM 4 O GLY X 1 23.498 2.812 -3.656 1.00 0.00 O ATOM 0 H1 GLY X 1 20.952 0.709 -4.548 1.00 0.00 H new ATOM 0 H2 GLY X 1 22.192 1.764 -5.030 1.00 0.00 H new ATOM 0 H3 GLY X 1 22.308 0.105 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY X 1 21.935 0.349 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY X 1 23.334 -0.273 -3.470 1.00 0.00 H new ATOM 10 N SER X 2 24.103 1.708 -1.787 1.00 0.00 N ATOM 11 CA SER X 2 24.876 2.817 -1.240 1.00 0.00 C ATOM 12 C SER X 2 26.063 3.156 -2.137 1.00 0.00 C ATOM 13 O SER X 2 26.860 2.279 -2.473 1.00 0.00 O ATOM 14 CB SER X 2 25.365 2.463 0.168 1.00 0.00 C ATOM 15 OG SER X 2 25.968 1.175 0.193 1.00 0.00 O ATOM 0 H SER X 2 24.093 0.874 -1.200 1.00 0.00 H new ATOM 0 HA SER X 2 24.230 3.694 -1.190 1.00 0.00 H new ATOM 0 HB2 SER X 2 26.083 3.210 0.505 1.00 0.00 H new ATOM 0 HB3 SER X 2 24.527 2.489 0.864 1.00 0.00 H new ATOM 0 HG SER X 2 26.513 1.053 -0.612 1.00 0.00 H new ATOM 21 N PRO X 3 26.190 4.433 -2.543 1.00 0.00 N ATOM 22 CA PRO X 3 27.288 4.886 -3.409 1.00 0.00 C ATOM 23 C PRO X 3 28.654 4.632 -2.773 1.00 0.00 C ATOM 24 O PRO X 3 28.919 5.078 -1.655 1.00 0.00 O ATOM 25 CB PRO X 3 27.036 6.388 -3.562 1.00 0.00 C ATOM 26 CG PRO X 3 25.598 6.581 -3.218 1.00 0.00 C ATOM 27 CD PRO X 3 25.274 5.532 -2.195 1.00 0.00 C ATOM 0 HA PRO X 3 27.307 4.354 -4.360 1.00 0.00 H new ATOM 0 HB2 PRO X 3 27.680 6.965 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO X 3 27.246 6.721 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO X 3 25.422 7.581 -2.821 1.00 0.00 H new ATOM 0 HG3 PRO X 3 24.968 6.473 -4.101 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.444 5.892 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO X 3 24.231 5.221 -2.253 1.00 0.00 H new ATOM 35 N PRO X 4 29.485 3.804 -3.424 1.00 0.00 N ATOM 36 CA PRO X 4 30.767 3.359 -2.869 1.00 0.00 C ATOM 37 C PRO X 4 31.906 4.363 -3.058 1.00 0.00 C ATOM 38 O PRO X 4 33.065 3.968 -3.185 1.00 0.00 O ATOM 39 CB PRO X 4 31.074 2.067 -3.651 1.00 0.00 C ATOM 40 CG PRO X 4 29.880 1.805 -4.513 1.00 0.00 C ATOM 41 CD PRO X 4 29.183 3.122 -4.684 1.00 0.00 C ATOM 0 HA PRO X 4 30.693 3.229 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO X 4 31.973 2.183 -4.257 1.00 0.00 H new ATOM 0 HB3 PRO X 4 31.253 1.234 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO X 4 30.180 1.396 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO X 4 29.219 1.073 -4.049 1.00 0.00 H new ATOM 0 HD2 PRO X 4 29.561 3.673 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO X 4 28.110 2.998 -4.832 1.00 0.00 H new ATOM 49 N GLU X 5 31.591 5.652 -3.037 1.00 0.00 N ATOM 50 CA GLU X 5 32.619 6.683 -3.169 1.00 0.00 C ATOM 51 C GLU X 5 32.381 7.829 -2.196 1.00 0.00 C ATOM 52 O GLU X 5 32.983 8.897 -2.328 1.00 0.00 O ATOM 53 CB GLU X 5 32.672 7.225 -4.604 1.00 0.00 C ATOM 54 CG GLU X 5 33.191 6.224 -5.624 1.00 0.00 C ATOM 55 CD GLU X 5 33.258 6.796 -7.021 1.00 0.00 C ATOM 56 OE1 GLU X 5 32.852 7.959 -7.213 1.00 0.00 O ATOM 57 OE2 GLU X 5 33.709 6.080 -7.931 1.00 0.00 O ATOM 0 H GLU X 5 30.641 6.009 -2.931 1.00 0.00 H new ATOM 0 HA GLU X 5 33.576 6.218 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU X 5 31.672 7.543 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU X 5 33.307 8.111 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU X 5 34.184 5.889 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU X 5 32.545 5.346 -5.626 1.00 0.00 H new ATOM 64 N ALA X 6 31.531 7.586 -1.202 1.00 0.00 N ATOM 65 CA ALA X 6 31.224 8.578 -0.171 1.00 0.00 C ATOM 66 C ALA X 6 30.239 7.993 0.818 1.00 0.00 C ATOM 67 O ALA X 6 29.421 8.702 1.403 1.00 0.00 O ATOM 68 CB ALA X 6 30.647 9.851 -0.776 1.00 0.00 C ATOM 0 H ALA X 6 31.037 6.701 -1.087 1.00 0.00 H new ATOM 0 HA ALA X 6 32.153 8.837 0.337 1.00 0.00 H new ATOM 0 HB1 ALA X 6 30.431 10.566 0.018 1.00 0.00 H new ATOM 0 HB2 ALA X 6 31.369 10.285 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA X 6 29.728 9.615 -1.312 1.00 0.00 H new ATOM 74 N ASP X 7 30.343 6.693 1.013 1.00 0.00 N ATOM 75 CA ASP X 7 29.487 5.984 1.943 1.00 0.00 C ATOM 76 C ASP X 7 30.041 6.164 3.342 1.00 0.00 C ATOM 77 O ASP X 7 31.248 6.188 3.498 1.00 0.00 O ATOM 78 CB ASP X 7 29.455 4.498 1.565 1.00 0.00 C ATOM 79 CG ASP X 7 28.514 3.690 2.421 1.00 0.00 C ATOM 80 OD1 ASP X 7 27.297 3.954 2.376 1.00 0.00 O ATOM 81 OD2 ASP X 7 28.991 2.787 3.135 1.00 0.00 O ATOM 0 H ASP X 7 31.021 6.101 0.533 1.00 0.00 H new ATOM 0 HA ASP X 7 28.471 6.376 1.905 1.00 0.00 H new ATOM 0 HB2 ASP X 7 29.160 4.401 0.520 1.00 0.00 H new ATOM 0 HB3 ASP X 7 30.460 4.086 1.652 1.00 0.00 H new ATOM 86 N PRO X 8 29.187 6.291 4.378 1.00 0.00 N ATOM 87 CA PRO X 8 29.643 6.454 5.768 1.00 0.00 C ATOM 88 C PRO X 8 30.813 5.526 6.116 1.00 0.00 C ATOM 89 O PRO X 8 31.690 5.875 6.903 1.00 0.00 O ATOM 90 CB PRO X 8 28.407 6.074 6.578 1.00 0.00 C ATOM 91 CG PRO X 8 27.250 6.433 5.707 1.00 0.00 C ATOM 92 CD PRO X 8 27.716 6.284 4.279 1.00 0.00 C ATOM 0 HA PRO X 8 30.015 7.460 5.962 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.405 5.011 6.819 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.373 6.616 7.523 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.399 5.781 5.906 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.922 7.454 5.902 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.351 5.358 3.835 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.355 7.101 3.654 1.00 0.00 H new ATOM 100 N ARG X 9 30.835 4.365 5.475 1.00 0.00 N ATOM 101 CA ARG X 9 31.896 3.393 5.639 1.00 0.00 C ATOM 102 C ARG X 9 33.056 3.643 4.676 1.00 0.00 C ATOM 103 O ARG X 9 34.223 3.575 5.064 1.00 0.00 O ATOM 104 CB ARG X 9 31.323 2.015 5.364 1.00 0.00 C ATOM 105 CG ARG X 9 30.270 1.580 6.371 1.00 0.00 C ATOM 106 CD ARG X 9 30.844 1.557 7.779 1.00 0.00 C ATOM 107 NE ARG X 9 29.883 1.079 8.766 1.00 0.00 N ATOM 108 CZ ARG X 9 30.140 1.023 10.071 1.00 0.00 C ATOM 109 NH1 ARG X 9 31.292 1.486 10.539 1.00 0.00 N ATOM 110 NH2 ARG X 9 29.237 0.523 10.901 1.00 0.00 N ATOM 0 H ARG X 9 30.108 4.073 4.822 1.00 0.00 H new ATOM 0 HA ARG X 9 32.282 3.474 6.655 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.885 2.006 4.366 1.00 0.00 H new ATOM 0 HB3 ARG X 9 32.134 1.287 5.362 1.00 0.00 H new ATOM 0 HG2 ARG X 9 29.420 2.261 6.331 1.00 0.00 H new ATOM 0 HG3 ARG X 9 29.898 0.590 6.109 1.00 0.00 H new ATOM 0 HD2 ARG X 9 31.727 0.918 7.797 1.00 0.00 H new ATOM 0 HD3 ARG X 9 31.171 2.561 8.051 1.00 0.00 H new ATOM 0 HE ARG X 9 28.967 0.772 8.440 1.00 0.00 H new ATOM 0 HH11 ARG X 9 31.979 1.884 9.899 1.00 0.00 H new ATOM 0 HH12 ARG X 9 31.490 1.444 11.539 1.00 0.00 H new ATOM 0 HH21 ARG X 9 28.346 0.182 10.540 1.00 0.00 H new ATOM 0 HH22 ARG X 9 29.432 0.479 11.901 1.00 0.00 H new ATOM 124 N LEU X 10 32.732 3.762 3.391 1.00 0.00 N ATOM 125 CA LEU X 10 33.743 3.817 2.353 1.00 0.00 C ATOM 126 C LEU X 10 34.339 5.203 2.198 1.00 0.00 C ATOM 127 O LEU X 10 35.403 5.340 1.626 1.00 0.00 O ATOM 128 CB LEU X 10 33.166 3.332 1.023 1.00 0.00 C ATOM 129 CG LEU X 10 32.762 1.856 1.006 1.00 0.00 C ATOM 130 CD1 LEU X 10 32.161 1.476 -0.332 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.961 0.972 1.311 1.00 0.00 C ATOM 0 H LEU X 10 31.773 3.822 3.049 1.00 0.00 H new ATOM 0 HA LEU X 10 34.553 3.154 2.657 1.00 0.00 H new ATOM 0 HB2 LEU X 10 32.293 3.937 0.778 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.903 3.503 0.238 1.00 0.00 H new ATOM 0 HG LEU X 10 32.008 1.704 1.778 1.00 0.00 H new ATOM 0 HD11 LEU X 10 31.882 0.422 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU X 10 31.276 2.084 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU X 10 32.893 1.648 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU X 10 33.655 -0.074 1.295 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.734 1.136 0.560 1.00 0.00 H new ATOM 0 HD23 LEU X 10 34.354 1.220 2.297 1.00 0.00 H new ATOM 143 N ILE X 11 33.714 6.217 2.772 1.00 0.00 N ATOM 144 CA ILE X 11 34.280 7.557 2.737 1.00 0.00 C ATOM 145 C ILE X 11 35.576 7.587 3.544 1.00 0.00 C ATOM 146 O ILE X 11 36.495 8.350 3.252 1.00 0.00 O ATOM 147 CB ILE X 11 33.284 8.619 3.265 1.00 0.00 C ATOM 148 CG1 ILE X 11 33.801 10.029 2.976 1.00 0.00 C ATOM 149 CG2 ILE X 11 33.026 8.444 4.756 1.00 0.00 C ATOM 150 CD1 ILE X 11 32.851 11.119 3.413 1.00 0.00 C ATOM 0 H ILE X 11 32.823 6.141 3.263 1.00 0.00 H new ATOM 0 HA ILE X 11 34.493 7.808 1.698 1.00 0.00 H new ATOM 0 HB ILE X 11 32.338 8.478 2.742 1.00 0.00 H new ATOM 0 HG12 ILE X 11 34.757 10.167 3.480 1.00 0.00 H new ATOM 0 HG13 ILE X 11 33.987 10.127 1.907 1.00 0.00 H new ATOM 0 HG21 ILE X 11 32.323 9.205 5.095 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.607 7.455 4.939 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.964 8.547 5.302 1.00 0.00 H new ATOM 0 HD11 ILE X 11 33.281 12.092 3.178 1.00 0.00 H new ATOM 0 HD12 ILE X 11 31.902 11.006 2.890 1.00 0.00 H new ATOM 0 HD13 ILE X 11 32.684 11.047 4.488 1.00 0.00 H new ATOM 162 N GLU X 12 35.676 6.661 4.489 1.00 0.00 N ATOM 163 CA GLU X 12 36.896 6.481 5.267 1.00 0.00 C ATOM 164 C GLU X 12 37.783 5.398 4.651 1.00 0.00 C ATOM 165 O GLU X 12 38.984 5.341 4.917 1.00 0.00 O ATOM 166 CB GLU X 12 36.553 6.095 6.708 1.00 0.00 C ATOM 167 CG GLU X 12 35.690 7.116 7.433 1.00 0.00 C ATOM 168 CD GLU X 12 35.395 6.708 8.856 1.00 0.00 C ATOM 169 OE1 GLU X 12 36.354 6.455 9.610 1.00 0.00 O ATOM 170 OE2 GLU X 12 34.208 6.645 9.224 1.00 0.00 O ATOM 0 H GLU X 12 34.923 6.019 4.736 1.00 0.00 H new ATOM 0 HA GLU X 12 37.439 7.426 5.261 1.00 0.00 H new ATOM 0 HB2 GLU X 12 36.036 5.135 6.703 1.00 0.00 H new ATOM 0 HB3 GLU X 12 37.479 5.955 7.266 1.00 0.00 H new ATOM 0 HG2 GLU X 12 36.195 8.082 7.431 1.00 0.00 H new ATOM 0 HG3 GLU X 12 34.752 7.245 6.892 1.00 0.00 H new ATOM 177 N SER X 13 37.149 4.443 3.980 1.00 0.00 N ATOM 178 CA SER X 13 37.846 3.252 3.506 1.00 0.00 C ATOM 179 C SER X 13 38.300 3.357 2.042 1.00 0.00 C ATOM 180 O SER X 13 39.462 3.113 1.730 1.00 0.00 O ATOM 181 CB SER X 13 36.946 2.025 3.683 1.00 0.00 C ATOM 182 OG SER X 13 36.458 1.935 5.015 1.00 0.00 O ATOM 0 H SER X 13 36.155 4.470 3.752 1.00 0.00 H new ATOM 0 HA SER X 13 38.750 3.154 4.108 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.108 2.082 2.989 1.00 0.00 H new ATOM 0 HB3 SER X 13 37.504 1.122 3.435 1.00 0.00 H new ATOM 0 HG SER X 13 35.651 2.484 5.106 1.00 0.00 H new ATOM 188 N LEU X 14 37.367 3.656 1.144 1.00 0.00 N ATOM 189 CA LEU X 14 37.650 3.710 -0.277 1.00 0.00 C ATOM 190 C LEU X 14 37.962 5.134 -0.673 1.00 0.00 C ATOM 191 O LEU X 14 38.913 5.397 -1.404 1.00 0.00 O ATOM 192 CB LEU X 14 36.443 3.170 -1.066 1.00 0.00 C ATOM 193 CG LEU X 14 36.649 2.964 -2.572 1.00 0.00 C ATOM 194 CD1 LEU X 14 35.721 1.873 -3.085 1.00 0.00 C ATOM 195 CD2 LEU X 14 36.402 4.256 -3.342 1.00 0.00 C ATOM 0 H LEU X 14 36.398 3.866 1.384 1.00 0.00 H new ATOM 0 HA LEU X 14 38.515 3.089 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU X 14 36.148 2.217 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.608 3.857 -0.926 1.00 0.00 H new ATOM 0 HG LEU X 14 37.684 2.662 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU X 14 35.877 1.736 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.935 0.939 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU X 14 34.686 2.161 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.555 4.080 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU X 14 35.378 4.590 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.096 5.023 -2.998 1.00 0.00 H new ATOM 207 N SER X 15 37.120 6.047 -0.205 1.00 0.00 N ATOM 208 CA SER X 15 37.263 7.449 -0.534 1.00 0.00 C ATOM 209 C SER X 15 38.574 8.009 0.002 1.00 0.00 C ATOM 210 O SER X 15 39.153 8.921 -0.587 1.00 0.00 O ATOM 211 CB SER X 15 36.085 8.259 0.005 1.00 0.00 C ATOM 212 OG SER X 15 34.848 7.675 -0.370 1.00 0.00 O ATOM 0 H SER X 15 36.330 5.835 0.405 1.00 0.00 H new ATOM 0 HA SER X 15 37.274 7.532 -1.621 1.00 0.00 H new ATOM 0 HB2 SER X 15 36.148 8.318 1.092 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.138 9.280 -0.374 1.00 0.00 H new ATOM 0 HG SER X 15 34.905 7.352 -1.294 1.00 0.00 H new ATOM 218 N GLN X 16 39.092 7.387 1.059 1.00 0.00 N ATOM 219 CA GLN X 16 40.396 7.754 1.594 1.00 0.00 C ATOM 220 C GLN X 16 41.468 7.530 0.542 1.00 0.00 C ATOM 221 O GLN X 16 42.335 8.374 0.332 1.00 0.00 O ATOM 222 CB GLN X 16 40.708 6.935 2.856 1.00 0.00 C ATOM 223 CG GLN X 16 42.131 7.106 3.382 1.00 0.00 C ATOM 224 CD GLN X 16 43.083 6.038 2.866 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.955 4.864 3.206 1.00 0.00 O ATOM 226 NE2 GLN X 16 44.039 6.436 2.033 1.00 0.00 N ATOM 0 H GLN X 16 38.628 6.629 1.559 1.00 0.00 H new ATOM 0 HA GLN X 16 40.381 8.810 1.864 1.00 0.00 H new ATOM 0 HB2 GLN X 16 40.007 7.218 3.641 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.537 5.880 2.641 1.00 0.00 H new ATOM 0 HG2 GLN X 16 42.504 8.089 3.094 1.00 0.00 H new ATOM 0 HG3 GLN X 16 42.117 7.077 4.472 1.00 0.00 H new ATOM 0 HE21 GLN X 16 44.113 7.420 1.774 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.699 5.758 1.652 1.00 0.00 H new ATOM 235 N MET X 17 41.426 6.365 -0.078 1.00 0.00 N ATOM 236 CA MET X 17 42.418 5.988 -1.069 1.00 0.00 C ATOM 237 C MET X 17 42.146 6.670 -2.401 1.00 0.00 C ATOM 238 O MET X 17 43.074 7.076 -3.099 1.00 0.00 O ATOM 239 CB MET X 17 42.411 4.473 -1.251 1.00 0.00 C ATOM 240 CG MET X 17 42.476 3.721 0.066 1.00 0.00 C ATOM 241 SD MET X 17 42.278 1.944 -0.126 1.00 0.00 S ATOM 242 CE MET X 17 42.162 1.447 1.589 1.00 0.00 C ATOM 0 H MET X 17 40.710 5.658 0.089 1.00 0.00 H new ATOM 0 HA MET X 17 43.398 6.310 -0.716 1.00 0.00 H new ATOM 0 HB2 MET X 17 41.508 4.180 -1.787 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.258 4.183 -1.872 1.00 0.00 H new ATOM 0 HG2 MET X 17 43.433 3.924 0.547 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.699 4.097 0.731 1.00 0.00 H new ATOM 0 HE1 MET X 17 43.037 0.855 1.856 1.00 0.00 H new ATOM 0 HE2 MET X 17 42.116 2.333 2.222 1.00 0.00 H new ATOM 0 HE3 MET X 17 41.262 0.850 1.735 1.00 0.00 H new ATOM 252 N LEU X 18 40.873 6.758 -2.768 1.00 0.00 N ATOM 253 CA LEU X 18 40.489 7.346 -4.046 1.00 0.00 C ATOM 254 C LEU X 18 40.854 8.829 -4.105 1.00 0.00 C ATOM 255 O LEU X 18 41.246 9.334 -5.154 1.00 0.00 O ATOM 256 CB LEU X 18 38.988 7.162 -4.286 1.00 0.00 C ATOM 257 CG LEU X 18 38.489 7.587 -5.669 1.00 0.00 C ATOM 258 CD1 LEU X 18 39.202 6.804 -6.761 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.986 7.387 -5.772 1.00 0.00 C ATOM 0 H LEU X 18 40.091 6.431 -2.201 1.00 0.00 H new ATOM 0 HA LEU X 18 41.041 6.830 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.739 6.112 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.444 7.730 -3.531 1.00 0.00 H new ATOM 0 HG LEU X 18 38.711 8.645 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.833 7.121 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU X 18 40.274 6.990 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU X 18 39.010 5.739 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.645 7.693 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.747 6.335 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.486 7.989 -5.013 1.00 0.00 H new ATOM 271 N SER X 19 40.699 9.529 -2.989 1.00 0.00 N ATOM 272 CA SER X 19 40.991 10.957 -2.949 1.00 0.00 C ATOM 273 C SER X 19 42.476 11.204 -2.671 1.00 0.00 C ATOM 274 O SER X 19 43.000 12.277 -2.970 1.00 0.00 O ATOM 275 CB SER X 19 40.130 11.642 -1.882 1.00 0.00 C ATOM 276 OG SER X 19 40.000 13.034 -2.135 1.00 0.00 O ATOM 0 H SER X 19 40.375 9.136 -2.105 1.00 0.00 H new ATOM 0 HA SER X 19 40.753 11.382 -3.924 1.00 0.00 H new ATOM 0 HB2 SER X 19 39.142 11.181 -1.859 1.00 0.00 H new ATOM 0 HB3 SER X 19 40.576 11.490 -0.899 1.00 0.00 H new ATOM 0 HG SER X 19 39.444 13.443 -1.439 1.00 0.00 H new ATOM 282 N MET X 20 43.146 10.219 -2.076 1.00 0.00 N ATOM 283 CA MET X 20 44.563 10.357 -1.738 1.00 0.00 C ATOM 284 C MET X 20 45.438 10.165 -2.973 1.00 0.00 C ATOM 285 O MET X 20 46.519 10.747 -3.080 1.00 0.00 O ATOM 286 CB MET X 20 44.958 9.335 -0.666 1.00 0.00 C ATOM 287 CG MET X 20 46.355 9.540 -0.100 1.00 0.00 C ATOM 288 SD MET X 20 46.536 11.133 0.725 1.00 0.00 S ATOM 289 CE MET X 20 48.251 11.057 1.229 1.00 0.00 C ATOM 0 H MET X 20 42.735 9.322 -1.819 1.00 0.00 H new ATOM 0 HA MET X 20 44.719 11.364 -1.351 1.00 0.00 H new ATOM 0 HB2 MET X 20 44.236 9.382 0.150 1.00 0.00 H new ATOM 0 HB3 MET X 20 44.893 8.334 -1.092 1.00 0.00 H new ATOM 0 HG2 MET X 20 46.579 8.741 0.606 1.00 0.00 H new ATOM 0 HG3 MET X 20 47.085 9.466 -0.906 1.00 0.00 H new ATOM 0 HE1 MET X 20 48.517 11.974 1.755 1.00 0.00 H new ATOM 0 HE2 MET X 20 48.398 10.204 1.891 1.00 0.00 H new ATOM 0 HE3 MET X 20 48.884 10.947 0.349 1.00 0.00 H new ATOM 299 N GLY X 21 44.988 9.317 -3.887 1.00 0.00 N ATOM 300 CA GLY X 21 45.766 9.030 -5.075 1.00 0.00 C ATOM 301 C GLY X 21 46.226 7.594 -5.111 1.00 0.00 C ATOM 302 O GLY X 21 47.265 7.278 -5.689 1.00 0.00 O ATOM 0 H GLY X 21 44.098 8.823 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.168 9.242 -5.961 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.633 9.690 -5.110 1.00 0.00 H new ATOM 306 N PHE X 22 45.392 6.704 -4.596 1.00 0.00 N ATOM 307 CA PHE X 22 45.647 5.284 -4.672 1.00 0.00 C ATOM 308 C PHE X 22 44.644 4.680 -5.620 1.00 0.00 C ATOM 309 O PHE X 22 43.815 5.401 -6.182 1.00 0.00 O ATOM 310 CB PHE X 22 45.530 4.630 -3.295 1.00 0.00 C ATOM 311 CG PHE X 22 46.675 4.934 -2.367 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.792 5.628 -2.810 1.00 0.00 C ATOM 313 CD2 PHE X 22 46.635 4.513 -1.051 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.842 5.894 -1.955 1.00 0.00 C ATOM 315 CE2 PHE X 22 47.684 4.773 -0.193 1.00 0.00 C ATOM 316 CZ PHE X 22 48.788 5.465 -0.645 1.00 0.00 C ATOM 0 H PHE X 22 44.525 6.949 -4.117 1.00 0.00 H new ATOM 0 HA PHE X 22 46.662 5.114 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.602 4.958 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.458 3.550 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE X 22 47.840 5.964 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE X 22 45.772 3.974 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE X 22 49.705 6.437 -2.311 1.00 0.00 H new ATOM 0 HE2 PHE X 22 47.640 4.435 0.832 1.00 0.00 H new ATOM 0 HZ PHE X 22 49.609 5.671 0.026 1.00 0.00 H new ATOM 326 N SER X 23 44.680 3.376 -5.781 1.00 0.00 N ATOM 327 CA SER X 23 43.729 2.720 -6.650 1.00 0.00 C ATOM 328 C SER X 23 43.475 1.301 -6.170 1.00 0.00 C ATOM 329 O SER X 23 44.105 0.843 -5.217 1.00 0.00 O ATOM 330 CB SER X 23 44.248 2.693 -8.093 1.00 0.00 C ATOM 331 OG SER X 23 44.604 3.992 -8.547 1.00 0.00 O ATOM 0 H SER X 23 45.350 2.755 -5.327 1.00 0.00 H new ATOM 0 HA SER X 23 42.795 3.281 -6.623 1.00 0.00 H new ATOM 0 HB2 SER X 23 45.115 2.035 -8.156 1.00 0.00 H new ATOM 0 HB3 SER X 23 43.483 2.276 -8.747 1.00 0.00 H new ATOM 0 HG SER X 23 44.932 3.938 -9.469 1.00 0.00 H new ATOM 337 N ASP X 24 42.645 0.570 -6.898 1.00 0.00 N ATOM 338 CA ASP X 24 42.432 -0.837 -6.605 1.00 0.00 C ATOM 339 C ASP X 24 43.363 -1.677 -7.465 1.00 0.00 C ATOM 340 O ASP X 24 43.639 -1.333 -8.615 1.00 0.00 O ATOM 341 CB ASP X 24 40.967 -1.240 -6.846 1.00 0.00 C ATOM 342 CG ASP X 24 40.568 -1.220 -8.310 1.00 0.00 C ATOM 343 OD1 ASP X 24 40.945 -2.153 -9.046 1.00 0.00 O ATOM 344 OD2 ASP X 24 39.888 -0.263 -8.728 1.00 0.00 O ATOM 0 H ASP X 24 42.111 0.926 -7.691 1.00 0.00 H new ATOM 0 HA ASP X 24 42.652 -1.013 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP X 24 40.803 -2.241 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.316 -0.564 -6.291 1.00 0.00 H new ATOM 349 N GLU X 25 43.854 -2.770 -6.913 1.00 0.00 N ATOM 350 CA GLU X 25 44.749 -3.645 -7.658 1.00 0.00 C ATOM 351 C GLU X 25 44.026 -4.937 -8.041 1.00 0.00 C ATOM 352 O GLU X 25 44.465 -6.038 -7.702 1.00 0.00 O ATOM 353 CB GLU X 25 46.018 -3.946 -6.848 1.00 0.00 C ATOM 354 CG GLU X 25 47.153 -4.513 -7.688 1.00 0.00 C ATOM 355 CD GLU X 25 48.403 -4.770 -6.886 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.971 -3.803 -6.345 1.00 0.00 O ATOM 357 OE2 GLU X 25 48.822 -5.939 -6.802 1.00 0.00 O ATOM 0 H GLU X 25 43.653 -3.074 -5.960 1.00 0.00 H new ATOM 0 HA GLU X 25 45.051 -3.135 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU X 25 46.357 -3.030 -6.364 1.00 0.00 H new ATOM 0 HB3 GLU X 25 45.774 -4.653 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU X 25 46.826 -5.444 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU X 25 47.382 -3.819 -8.496 1.00 0.00 H new ATOM 364 N GLY X 26 42.915 -4.797 -8.754 1.00 0.00 N ATOM 365 CA GLY X 26 42.157 -5.962 -9.182 1.00 0.00 C ATOM 366 C GLY X 26 40.656 -5.753 -9.113 1.00 0.00 C ATOM 367 O GLY X 26 39.899 -6.372 -9.863 1.00 0.00 O ATOM 0 H GLY X 26 42.524 -3.900 -9.044 1.00 0.00 H new ATOM 0 HA2 GLY X 26 42.436 -6.214 -10.205 1.00 0.00 H new ATOM 0 HA3 GLY X 26 42.428 -6.814 -8.558 1.00 0.00 H new ATOM 371 N GLY X 27 40.219 -4.912 -8.193 1.00 0.00 N ATOM 372 CA GLY X 27 38.799 -4.678 -8.017 1.00 0.00 C ATOM 373 C GLY X 27 38.355 -5.045 -6.626 1.00 0.00 C ATOM 374 O GLY X 27 37.172 -5.240 -6.361 1.00 0.00 O ATOM 0 H GLY X 27 40.822 -4.384 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY X 27 38.574 -3.629 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY X 27 38.238 -5.262 -8.747 1.00 0.00 H new ATOM 378 N TRP X 28 39.329 -5.179 -5.743 1.00 0.00 N ATOM 379 CA TRP X 28 39.079 -5.572 -4.372 1.00 0.00 C ATOM 380 C TRP X 28 38.719 -4.371 -3.508 1.00 0.00 C ATOM 381 O TRP X 28 38.326 -4.525 -2.364 1.00 0.00 O ATOM 382 CB TRP X 28 40.311 -6.263 -3.789 1.00 0.00 C ATOM 383 CG TRP X 28 41.554 -5.452 -3.956 1.00 0.00 C ATOM 384 CD1 TRP X 28 42.484 -5.572 -4.941 1.00 0.00 C ATOM 385 CD2 TRP X 28 41.972 -4.360 -3.136 1.00 0.00 C ATOM 386 NE1 TRP X 28 43.468 -4.632 -4.772 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.169 -3.869 -3.675 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.445 -3.752 -1.996 1.00 0.00 C ATOM 389 CZ2 TRP X 28 43.847 -2.795 -3.113 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.118 -2.694 -1.437 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.305 -2.222 -1.995 1.00 0.00 C ATOM 0 H TRP X 28 40.313 -5.018 -5.958 1.00 0.00 H new ATOM 0 HA TRP X 28 38.236 -6.263 -4.374 1.00 0.00 H new ATOM 0 HB2 TRP X 28 40.147 -6.457 -2.729 1.00 0.00 H new ATOM 0 HB3 TRP X 28 40.444 -7.230 -4.273 1.00 0.00 H new ATOM 0 HD1 TRP X 28 42.452 -6.300 -5.738 1.00 0.00 H new ATOM 0 HE1 TRP X 28 44.289 -4.519 -5.367 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.523 -4.108 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 44.767 -2.426 -3.542 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.722 -2.220 -0.551 1.00 0.00 H new ATOM 0 HH2 TRP X 28 43.808 -1.385 -1.534 1.00 0.00 H new ATOM 402 N LEU X 29 38.911 -3.164 -4.014 1.00 0.00 N ATOM 403 CA LEU X 29 38.644 -1.987 -3.198 1.00 0.00 C ATOM 404 C LEU X 29 37.145 -1.889 -2.893 1.00 0.00 C ATOM 405 O LEU X 29 36.747 -1.400 -1.842 1.00 0.00 O ATOM 406 CB LEU X 29 39.198 -0.720 -3.863 1.00 0.00 C ATOM 407 CG LEU X 29 39.099 0.557 -3.030 1.00 0.00 C ATOM 408 CD1 LEU X 29 39.758 0.360 -1.673 1.00 0.00 C ATOM 409 CD2 LEU X 29 39.747 1.721 -3.764 1.00 0.00 C ATOM 0 H LEU X 29 39.242 -2.973 -4.960 1.00 0.00 H new ATOM 0 HA LEU X 29 39.164 -2.085 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.245 -0.890 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU X 29 38.668 -0.562 -4.802 1.00 0.00 H new ATOM 0 HG LEU X 29 38.044 0.785 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU X 29 39.678 1.279 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU X 29 39.259 -0.450 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU X 29 40.810 0.109 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU X 29 39.668 2.623 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.798 1.497 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU X 29 39.240 1.878 -4.716 1.00 0.00 H new ATOM 421 N THR X 30 36.347 -2.576 -3.700 1.00 0.00 N ATOM 422 CA THR X 30 34.941 -2.789 -3.380 1.00 0.00 C ATOM 423 C THR X 30 34.734 -4.151 -2.690 1.00 0.00 C ATOM 424 O THR X 30 33.784 -4.339 -1.928 1.00 0.00 O ATOM 425 CB THR X 30 34.087 -2.674 -4.652 1.00 0.00 C ATOM 426 OG1 THR X 30 32.823 -3.288 -4.481 1.00 0.00 O ATOM 427 CG2 THR X 30 34.728 -3.284 -5.876 1.00 0.00 C ATOM 0 H THR X 30 36.648 -2.995 -4.580 1.00 0.00 H new ATOM 0 HA THR X 30 34.621 -2.016 -2.681 1.00 0.00 H new ATOM 0 HB THR X 30 33.984 -1.601 -4.815 1.00 0.00 H new ATOM 0 HG1 THR X 30 32.301 -3.198 -5.306 1.00 0.00 H new ATOM 0 HG21 THR X 30 34.065 -3.163 -6.733 1.00 0.00 H new ATOM 0 HG22 THR X 30 35.676 -2.785 -6.078 1.00 0.00 H new ATOM 0 HG23 THR X 30 34.907 -4.345 -5.702 1.00 0.00 H new ATOM 435 N ARG X 31 35.570 -5.124 -3.051 1.00 0.00 N ATOM 436 CA ARG X 31 35.425 -6.505 -2.578 1.00 0.00 C ATOM 437 C ARG X 31 36.138 -6.753 -1.233 1.00 0.00 C ATOM 438 O ARG X 31 35.484 -7.010 -0.221 1.00 0.00 O ATOM 439 CB ARG X 31 35.949 -7.449 -3.674 1.00 0.00 C ATOM 440 CG ARG X 31 36.237 -8.870 -3.219 1.00 0.00 C ATOM 441 CD ARG X 31 36.382 -9.814 -4.405 1.00 0.00 C ATOM 442 NE ARG X 31 36.788 -11.158 -3.994 1.00 0.00 N ATOM 443 CZ ARG X 31 38.035 -11.492 -3.653 1.00 0.00 C ATOM 444 NH1 ARG X 31 39.025 -10.623 -3.820 1.00 0.00 N ATOM 445 NH2 ARG X 31 38.295 -12.710 -3.195 1.00 0.00 N ATOM 0 H ARG X 31 36.363 -4.981 -3.676 1.00 0.00 H new ATOM 0 HA ARG X 31 34.370 -6.700 -2.387 1.00 0.00 H new ATOM 0 HB2 ARG X 31 35.218 -7.484 -4.481 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.863 -7.025 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG X 31 37.151 -8.886 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG X 31 35.431 -9.217 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG X 31 35.434 -9.870 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG X 31 37.118 -9.411 -5.101 1.00 0.00 H new ATOM 0 HE ARG X 31 36.074 -11.886 -3.966 1.00 0.00 H new ATOM 0 HH11 ARG X 31 38.833 -9.700 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG X 31 39.977 -10.879 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG X 31 37.542 -13.392 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG X 31 39.248 -12.964 -2.935 1.00 0.00 H new ATOM 459 N LEU X 32 37.473 -6.660 -1.245 1.00 0.00 N ATOM 460 CA LEU X 32 38.323 -6.849 -0.057 1.00 0.00 C ATOM 461 C LEU X 32 37.718 -6.179 1.172 1.00 0.00 C ATOM 462 O LEU X 32 37.501 -6.830 2.196 1.00 0.00 O ATOM 463 CB LEU X 32 39.723 -6.261 -0.352 1.00 0.00 C ATOM 464 CG LEU X 32 40.858 -6.535 0.655 1.00 0.00 C ATOM 465 CD1 LEU X 32 40.685 -5.746 1.943 1.00 0.00 C ATOM 466 CD2 LEU X 32 40.971 -8.019 0.945 1.00 0.00 C ATOM 0 H LEU X 32 38.003 -6.449 -2.090 1.00 0.00 H new ATOM 0 HA LEU X 32 38.400 -7.915 0.158 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.043 -6.636 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU X 32 39.616 -5.180 -0.447 1.00 0.00 H new ATOM 0 HG LEU X 32 41.786 -6.197 0.194 1.00 0.00 H new ATOM 0 HD11 LEU X 32 41.508 -5.972 2.621 1.00 0.00 H new ATOM 0 HD12 LEU X 32 40.682 -4.679 1.719 1.00 0.00 H new ATOM 0 HD13 LEU X 32 39.741 -6.021 2.414 1.00 0.00 H new ATOM 0 HD21 LEU X 32 41.778 -8.190 1.658 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.033 -8.380 1.366 1.00 0.00 H new ATOM 0 HD23 LEU X 32 41.184 -8.555 0.020 1.00 0.00 H new ATOM 478 N LEU X 33 37.531 -4.862 1.080 1.00 0.00 N ATOM 479 CA LEU X 33 37.046 -4.060 2.202 1.00 0.00 C ATOM 480 C LEU X 33 35.835 -4.688 2.880 1.00 0.00 C ATOM 481 O LEU X 33 35.881 -5.015 4.061 1.00 0.00 O ATOM 482 CB LEU X 33 36.673 -2.645 1.743 1.00 0.00 C ATOM 483 CG LEU X 33 37.837 -1.758 1.303 1.00 0.00 C ATOM 484 CD1 LEU X 33 37.334 -0.380 0.915 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.866 -1.637 2.408 1.00 0.00 C ATOM 0 H LEU X 33 37.710 -4.325 0.232 1.00 0.00 H new ATOM 0 HA LEU X 33 37.864 -4.016 2.922 1.00 0.00 H new ATOM 0 HB2 LEU X 33 35.970 -2.726 0.914 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.149 -2.146 2.558 1.00 0.00 H new ATOM 0 HG LEU X 33 38.308 -2.222 0.436 1.00 0.00 H new ATOM 0 HD11 LEU X 33 38.175 0.240 0.604 1.00 0.00 H new ATOM 0 HD12 LEU X 33 36.625 -0.470 0.092 1.00 0.00 H new ATOM 0 HD13 LEU X 33 36.840 0.081 1.770 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.686 -1.001 2.074 1.00 0.00 H new ATOM 0 HD22 LEU X 33 38.402 -1.197 3.291 1.00 0.00 H new ATOM 0 HD23 LEU X 33 39.251 -2.626 2.656 1.00 0.00 H new ATOM 497 N GLN X 34 34.718 -4.696 2.168 1.00 0.00 N ATOM 498 CA GLN X 34 33.429 -5.093 2.731 1.00 0.00 C ATOM 499 C GLN X 34 33.446 -6.504 3.315 1.00 0.00 C ATOM 500 O GLN X 34 32.691 -6.804 4.239 1.00 0.00 O ATOM 501 CB GLN X 34 32.357 -4.980 1.653 1.00 0.00 C ATOM 502 CG GLN X 34 32.457 -3.684 0.869 1.00 0.00 C ATOM 503 CD GLN X 34 31.116 -3.155 0.434 1.00 0.00 C ATOM 504 OE1 GLN X 34 30.464 -3.707 -0.450 1.00 0.00 O ATOM 505 NE2 GLN X 34 30.694 -2.084 1.075 1.00 0.00 N ATOM 0 H GLN X 34 34.676 -4.428 1.185 1.00 0.00 H new ATOM 0 HA GLN X 34 33.208 -4.419 3.559 1.00 0.00 H new ATOM 0 HB2 GLN X 34 32.445 -5.823 0.968 1.00 0.00 H new ATOM 0 HB3 GLN X 34 31.372 -5.046 2.116 1.00 0.00 H new ATOM 0 HG2 GLN X 34 32.957 -2.933 1.481 1.00 0.00 H new ATOM 0 HG3 GLN X 34 33.081 -3.845 -0.010 1.00 0.00 H new ATOM 0 HE21 GLN X 34 31.273 -1.663 1.801 1.00 0.00 H new ATOM 0 HE22 GLN X 34 29.788 -1.676 0.845 1.00 0.00 H new ATOM 514 N THR X 35 34.311 -7.356 2.794 1.00 0.00 N ATOM 515 CA THR X 35 34.422 -8.722 3.288 1.00 0.00 C ATOM 516 C THR X 35 35.083 -8.755 4.672 1.00 0.00 C ATOM 517 O THR X 35 34.982 -9.746 5.400 1.00 0.00 O ATOM 518 CB THR X 35 35.232 -9.558 2.293 1.00 0.00 C ATOM 519 OG1 THR X 35 34.753 -9.359 0.975 1.00 0.00 O ATOM 520 CG2 THR X 35 35.186 -11.048 2.567 1.00 0.00 C ATOM 0 H THR X 35 34.947 -7.129 2.030 1.00 0.00 H new ATOM 0 HA THR X 35 33.421 -9.142 3.386 1.00 0.00 H new ATOM 0 HB THR X 35 36.261 -9.218 2.408 1.00 0.00 H new ATOM 0 HG1 THR X 35 35.080 -8.501 0.634 1.00 0.00 H new ATOM 0 HG21 THR X 35 35.783 -11.574 1.821 1.00 0.00 H new ATOM 0 HG22 THR X 35 35.588 -11.248 3.560 1.00 0.00 H new ATOM 0 HG23 THR X 35 34.154 -11.396 2.517 1.00 0.00 H new ATOM 528 N LYS X 36 35.826 -7.703 4.996 1.00 0.00 N ATOM 529 CA LYS X 36 36.578 -7.662 6.243 1.00 0.00 C ATOM 530 C LYS X 36 36.172 -6.476 7.116 1.00 0.00 C ATOM 531 O LYS X 36 37.021 -5.882 7.785 1.00 0.00 O ATOM 532 CB LYS X 36 38.076 -7.587 5.944 1.00 0.00 C ATOM 533 CG LYS X 36 38.537 -8.592 4.905 1.00 0.00 C ATOM 534 CD LYS X 36 40.048 -8.584 4.756 1.00 0.00 C ATOM 535 CE LYS X 36 40.735 -9.147 5.993 1.00 0.00 C ATOM 536 NZ LYS X 36 40.123 -10.432 6.429 1.00 0.00 N ATOM 0 H LYS X 36 35.923 -6.871 4.415 1.00 0.00 H new ATOM 0 HA LYS X 36 36.352 -8.575 6.793 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.320 -6.582 5.599 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.631 -7.750 6.868 1.00 0.00 H new ATOM 0 HG2 LYS X 36 38.204 -9.590 5.189 1.00 0.00 H new ATOM 0 HG3 LYS X 36 38.074 -8.363 3.945 1.00 0.00 H new ATOM 0 HD2 LYS X 36 40.331 -9.171 3.882 1.00 0.00 H new ATOM 0 HD3 LYS X 36 40.392 -7.565 4.580 1.00 0.00 H new ATOM 0 HE2 LYS X 36 41.793 -9.302 5.782 1.00 0.00 H new ATOM 0 HE3 LYS X 36 40.674 -8.422 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 40.787 -10.941 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 39.244 -10.239 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 39.910 -11.016 5.595 1.00 0.00 H new ATOM 550 N ASN X 37 34.877 -6.148 7.123 1.00 0.00 N ATOM 551 CA ASN X 37 34.357 -5.045 7.940 1.00 0.00 C ATOM 552 C ASN X 37 34.952 -3.705 7.486 1.00 0.00 C ATOM 553 O ASN X 37 35.326 -2.859 8.302 1.00 0.00 O ATOM 554 CB ASN X 37 34.646 -5.308 9.432 1.00 0.00 C ATOM 555 CG ASN X 37 34.079 -4.244 10.350 1.00 0.00 C ATOM 556 OD1 ASN X 37 32.872 -3.996 10.367 1.00 0.00 O ATOM 557 ND2 ASN X 37 34.950 -3.612 11.122 1.00 0.00 N ATOM 0 H ASN X 37 34.167 -6.631 6.572 1.00 0.00 H new ATOM 0 HA ASN X 37 33.277 -4.988 7.806 1.00 0.00 H new ATOM 0 HB2 ASN X 37 34.230 -6.277 9.710 1.00 0.00 H new ATOM 0 HB3 ASN X 37 35.724 -5.369 9.581 1.00 0.00 H new ATOM 0 HD21 ASN X 37 34.630 -2.887 11.764 1.00 0.00 H new ATOM 0 HD22 ASN X 37 35.941 -3.850 11.074 1.00 0.00 H new ATOM 564 N TYR X 38 35.093 -3.554 6.166 1.00 0.00 N ATOM 565 CA TYR X 38 35.708 -2.365 5.562 1.00 0.00 C ATOM 566 C TYR X 38 37.100 -2.162 6.147 1.00 0.00 C ATOM 567 O TYR X 38 37.314 -1.295 6.995 1.00 0.00 O ATOM 568 CB TYR X 38 34.834 -1.108 5.759 1.00 0.00 C ATOM 569 CG TYR X 38 33.394 -1.279 5.322 1.00 0.00 C ATOM 570 CD1 TYR X 38 32.506 -2.048 6.065 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.923 -0.676 4.168 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.195 -2.209 5.670 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.610 -0.830 3.767 1.00 0.00 C ATOM 574 CZ TYR X 38 30.751 -1.597 4.522 1.00 0.00 C ATOM 575 OH TYR X 38 29.445 -1.754 4.126 1.00 0.00 O ATOM 0 H TYR X 38 34.785 -4.250 5.486 1.00 0.00 H new ATOM 0 HA TYR X 38 35.791 -2.526 4.487 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.852 -0.828 6.812 1.00 0.00 H new ATOM 0 HB3 TYR X 38 35.275 -0.281 5.202 1.00 0.00 H new ATOM 0 HD1 TYR X 38 32.850 -2.529 6.969 1.00 0.00 H new ATOM 0 HD2 TYR X 38 33.593 -0.075 3.571 1.00 0.00 H new ATOM 0 HE1 TYR X 38 30.521 -2.813 6.259 1.00 0.00 H new ATOM 0 HE2 TYR X 38 31.259 -0.351 2.865 1.00 0.00 H new ATOM 0 HH TYR X 38 29.293 -1.256 3.296 1.00 0.00 H new ATOM 585 N ASP X 39 37.983 -3.107 5.839 1.00 0.00 N ATOM 586 CA ASP X 39 39.282 -3.173 6.503 1.00 0.00 C ATOM 587 C ASP X 39 40.328 -2.346 5.793 1.00 0.00 C ATOM 588 O ASP X 39 40.637 -2.579 4.630 1.00 0.00 O ATOM 589 CB ASP X 39 39.766 -4.613 6.604 1.00 0.00 C ATOM 590 CG ASP X 39 40.818 -4.774 7.669 1.00 0.00 C ATOM 591 OD1 ASP X 39 40.558 -4.373 8.821 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.894 -5.308 7.363 1.00 0.00 O ATOM 0 H ASP X 39 37.826 -3.833 5.140 1.00 0.00 H new ATOM 0 HA ASP X 39 39.141 -2.762 7.503 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.922 -5.266 6.825 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.170 -4.929 5.642 1.00 0.00 H new ATOM 597 N ILE X 40 40.936 -1.446 6.536 1.00 0.00 N ATOM 598 CA ILE X 40 42.023 -0.635 6.029 1.00 0.00 C ATOM 599 C ILE X 40 43.334 -1.350 6.279 1.00 0.00 C ATOM 600 O ILE X 40 44.334 -1.104 5.616 1.00 0.00 O ATOM 601 CB ILE X 40 42.043 0.736 6.735 1.00 0.00 C ATOM 602 CG1 ILE X 40 40.614 1.152 7.069 1.00 0.00 C ATOM 603 CG2 ILE X 40 42.714 1.788 5.863 1.00 0.00 C ATOM 604 CD1 ILE X 40 39.838 1.688 5.885 1.00 0.00 C ATOM 0 H ILE X 40 40.691 -1.256 7.508 1.00 0.00 H new ATOM 0 HA ILE X 40 41.882 -0.477 4.960 1.00 0.00 H new ATOM 0 HB ILE X 40 42.620 0.651 7.656 1.00 0.00 H new ATOM 0 HG12 ILE X 40 40.083 0.294 7.480 1.00 0.00 H new ATOM 0 HG13 ILE X 40 40.641 1.914 7.848 1.00 0.00 H new ATOM 0 HG21 ILE X 40 42.715 2.746 6.384 1.00 0.00 H new ATOM 0 HG22 ILE X 40 43.741 1.487 5.655 1.00 0.00 H new ATOM 0 HG23 ILE X 40 42.167 1.886 4.925 1.00 0.00 H new ATOM 0 HD11 ILE X 40 38.832 1.962 6.203 1.00 0.00 H new ATOM 0 HD12 ILE X 40 40.344 2.567 5.486 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.778 0.922 5.112 1.00 0.00 H new ATOM 616 N GLY X 41 43.322 -2.220 7.278 1.00 0.00 N ATOM 617 CA GLY X 41 44.519 -2.930 7.650 1.00 0.00 C ATOM 618 C GLY X 41 44.988 -3.884 6.580 1.00 0.00 C ATOM 619 O GLY X 41 46.184 -4.122 6.424 1.00 0.00 O ATOM 0 H GLY X 41 42.499 -2.445 7.837 1.00 0.00 H new ATOM 0 HA2 GLY X 41 45.311 -2.212 7.863 1.00 0.00 H new ATOM 0 HA3 GLY X 41 44.336 -3.485 8.570 1.00 0.00 H new ATOM 623 N ALA X 42 44.038 -4.447 5.863 1.00 0.00 N ATOM 624 CA ALA X 42 44.353 -5.413 4.814 1.00 0.00 C ATOM 625 C ALA X 42 44.316 -4.773 3.447 1.00 0.00 C ATOM 626 O ALA X 42 44.937 -5.261 2.505 1.00 0.00 O ATOM 627 CB ALA X 42 43.414 -6.607 4.870 1.00 0.00 C ATOM 0 H ALA X 42 43.043 -4.258 5.981 1.00 0.00 H new ATOM 0 HA ALA X 42 45.368 -5.768 4.992 1.00 0.00 H new ATOM 0 HB1 ALA X 42 43.672 -7.310 4.078 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.509 -7.100 5.838 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.387 -6.269 4.735 1.00 0.00 H new ATOM 633 N ALA X 43 43.607 -3.665 3.350 1.00 0.00 N ATOM 634 CA ALA X 43 43.518 -2.936 2.094 1.00 0.00 C ATOM 635 C ALA X 43 44.843 -2.261 1.770 1.00 0.00 C ATOM 636 O ALA X 43 45.202 -2.107 0.603 1.00 0.00 O ATOM 637 CB ALA X 43 42.403 -1.906 2.150 1.00 0.00 C ATOM 0 H ALA X 43 43.085 -3.249 4.121 1.00 0.00 H new ATOM 0 HA ALA X 43 43.290 -3.650 1.303 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.353 -1.372 1.201 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.453 -2.408 2.334 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.602 -1.198 2.955 1.00 0.00 H new ATOM 643 N LEU X 44 45.556 -1.846 2.812 1.00 0.00 N ATOM 644 CA LEU X 44 46.836 -1.163 2.646 1.00 0.00 C ATOM 645 C LEU X 44 47.879 -2.068 2.017 1.00 0.00 C ATOM 646 O LEU X 44 48.706 -1.602 1.235 1.00 0.00 O ATOM 647 CB LEU X 44 47.344 -0.630 3.988 1.00 0.00 C ATOM 648 CG LEU X 44 47.003 0.838 4.273 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.522 1.100 4.067 1.00 0.00 C ATOM 650 CD2 LEU X 44 47.409 1.212 5.686 1.00 0.00 C ATOM 0 H LEU X 44 45.269 -1.971 3.783 1.00 0.00 H new ATOM 0 HA LEU X 44 46.669 -0.324 1.971 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.930 -1.245 4.787 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.427 -0.749 4.023 1.00 0.00 H new ATOM 0 HG LEU X 44 47.562 1.457 3.571 1.00 0.00 H new ATOM 0 HD11 LEU X 44 45.305 2.148 4.275 1.00 0.00 H new ATOM 0 HD12 LEU X 44 45.252 0.872 3.036 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.944 0.469 4.742 1.00 0.00 H new ATOM 0 HD21 LEU X 44 47.160 2.257 5.872 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.876 0.580 6.397 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.483 1.068 5.806 1.00 0.00 H new ATOM 662 N ASP X 45 47.836 -3.355 2.349 1.00 0.00 N ATOM 663 CA ASP X 45 48.789 -4.316 1.799 1.00 0.00 C ATOM 664 C ASP X 45 48.831 -4.259 0.273 1.00 0.00 C ATOM 665 O ASP X 45 49.890 -4.418 -0.330 1.00 0.00 O ATOM 666 CB ASP X 45 48.449 -5.734 2.279 1.00 0.00 C ATOM 667 CG ASP X 45 49.191 -6.819 1.520 1.00 0.00 C ATOM 668 OD1 ASP X 45 48.717 -7.226 0.442 1.00 0.00 O ATOM 669 OD2 ASP X 45 50.253 -7.262 2.002 1.00 0.00 O ATOM 0 H ASP X 45 47.155 -3.756 2.993 1.00 0.00 H new ATOM 0 HA ASP X 45 49.781 -4.048 2.162 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.684 -5.817 3.340 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.376 -5.897 2.176 1.00 0.00 H new ATOM 674 N THR X 46 47.679 -4.085 -0.352 1.00 0.00 N ATOM 675 CA THR X 46 47.612 -4.084 -1.803 1.00 0.00 C ATOM 676 C THR X 46 47.651 -2.674 -2.412 1.00 0.00 C ATOM 677 O THR X 46 48.060 -2.519 -3.562 1.00 0.00 O ATOM 678 CB THR X 46 46.374 -4.847 -2.255 1.00 0.00 C ATOM 679 OG1 THR X 46 45.290 -4.588 -1.385 1.00 0.00 O ATOM 680 CG2 THR X 46 46.576 -6.343 -2.297 1.00 0.00 C ATOM 0 H THR X 46 46.785 -3.944 0.118 1.00 0.00 H new ATOM 0 HA THR X 46 48.507 -4.586 -2.172 1.00 0.00 H new ATOM 0 HB THR X 46 46.168 -4.497 -3.266 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.515 -4.292 -1.907 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.656 -6.825 -2.627 1.00 0.00 H new ATOM 0 HG22 THR X 46 47.381 -6.582 -2.992 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.838 -6.703 -1.302 1.00 0.00 H new ATOM 688 N ILE X 47 47.291 -1.637 -1.645 1.00 0.00 N ATOM 689 CA ILE X 47 47.374 -0.258 -2.156 1.00 0.00 C ATOM 690 C ILE X 47 48.781 0.325 -2.016 1.00 0.00 C ATOM 691 O ILE X 47 48.935 1.510 -1.716 1.00 0.00 O ATOM 692 CB ILE X 47 46.370 0.731 -1.518 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.389 0.623 0.002 1.00 0.00 C ATOM 694 CG2 ILE X 47 44.963 0.527 -2.071 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.605 1.713 0.689 1.00 0.00 C ATOM 0 H ILE X 47 46.946 -1.720 -0.689 1.00 0.00 H new ATOM 0 HA ILE X 47 47.109 -0.362 -3.208 1.00 0.00 H new ATOM 0 HB ILE X 47 46.682 1.741 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE X 47 45.984 -0.346 0.295 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.422 0.655 0.348 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.281 1.237 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE X 47 44.969 0.687 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE X 47 44.632 -0.489 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.661 1.576 1.769 1.00 0.00 H new ATOM 0 HD12 ILE X 47 46.023 2.684 0.425 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.563 1.668 0.371 1.00 0.00 H new ATOM 707 N GLN X 48 49.787 -0.492 -2.336 1.00 0.00 N ATOM 708 CA GLN X 48 51.192 -0.063 -2.386 1.00 0.00 C ATOM 709 C GLN X 48 51.796 0.119 -0.991 1.00 0.00 C ATOM 710 O GLN X 48 52.902 0.644 -0.855 1.00 0.00 O ATOM 711 CB GLN X 48 51.352 1.234 -3.204 1.00 0.00 C ATOM 712 CG GLN X 48 50.680 1.199 -4.578 1.00 0.00 C ATOM 713 CD GLN X 48 49.498 2.152 -4.674 1.00 0.00 C ATOM 714 OE1 GLN X 48 49.654 3.366 -4.552 1.00 0.00 O ATOM 715 NE2 GLN X 48 48.308 1.605 -4.891 1.00 0.00 N ATOM 0 H GLN X 48 49.652 -1.476 -2.569 1.00 0.00 H new ATOM 0 HA GLN X 48 51.740 -0.864 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN X 48 50.938 2.064 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.415 1.437 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN X 48 51.412 1.456 -5.343 1.00 0.00 H new ATOM 0 HG3 GLN X 48 50.342 0.184 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.222 0.593 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN X 48 47.480 2.197 -4.962 1.00 0.00 H new ATOM 724 N TYR X 49 51.112 -0.381 0.035 1.00 0.00 N ATOM 725 CA TYR X 49 51.637 -0.337 1.405 1.00 0.00 C ATOM 726 C TYR X 49 51.769 -1.749 1.973 1.00 0.00 C ATOM 727 O TYR X 49 51.216 -2.055 3.032 1.00 0.00 O ATOM 728 CB TYR X 49 50.727 0.494 2.325 1.00 0.00 C ATOM 729 CG TYR X 49 50.815 1.997 2.135 1.00 0.00 C ATOM 730 CD1 TYR X 49 51.700 2.566 1.229 1.00 0.00 C ATOM 731 CD2 TYR X 49 50.005 2.847 2.878 1.00 0.00 C ATOM 732 CE1 TYR X 49 51.776 3.935 1.069 1.00 0.00 C ATOM 733 CE2 TYR X 49 50.078 4.217 2.723 1.00 0.00 C ATOM 734 CZ TYR X 49 50.965 4.755 1.818 1.00 0.00 C ATOM 735 OH TYR X 49 51.037 6.119 1.660 1.00 0.00 O ATOM 0 H TYR X 49 50.196 -0.821 -0.051 1.00 0.00 H new ATOM 0 HA TYR X 49 52.619 0.134 1.363 1.00 0.00 H new ATOM 0 HB2 TYR X 49 49.695 0.184 2.165 1.00 0.00 H new ATOM 0 HB3 TYR X 49 50.973 0.260 3.361 1.00 0.00 H new ATOM 0 HD1 TYR X 49 52.340 1.926 0.639 1.00 0.00 H new ATOM 0 HD2 TYR X 49 49.307 2.429 3.588 1.00 0.00 H new ATOM 0 HE1 TYR X 49 52.469 4.360 0.359 1.00 0.00 H new ATOM 0 HE2 TYR X 49 49.442 4.864 3.309 1.00 0.00 H new ATOM 0 HH TYR X 49 50.397 6.552 2.263 1.00 0.00 H new ATOM 745 N SER X 50 52.447 -2.625 1.243 1.00 0.00 N ATOM 746 CA SER X 50 52.570 -4.023 1.653 1.00 0.00 C ATOM 747 C SER X 50 53.663 -4.210 2.704 1.00 0.00 C ATOM 748 O SER X 50 53.982 -5.333 3.097 1.00 0.00 O ATOM 749 CB SER X 50 52.843 -4.907 0.431 1.00 0.00 C ATOM 750 OG SER X 50 52.651 -6.282 0.727 1.00 0.00 O ATOM 0 H SER X 50 52.919 -2.397 0.368 1.00 0.00 H new ATOM 0 HA SER X 50 51.626 -4.323 2.108 1.00 0.00 H new ATOM 0 HB2 SER X 50 52.183 -4.614 -0.385 1.00 0.00 H new ATOM 0 HB3 SER X 50 53.865 -4.748 0.087 1.00 0.00 H new ATOM 0 HG SER X 50 51.779 -6.405 1.157 1.00 0.00 H new ATOM 756 N LYS X 51 54.181 -3.104 3.207 1.00 0.00 N ATOM 757 CA LYS X 51 55.180 -3.141 4.269 1.00 0.00 C ATOM 758 C LYS X 51 54.937 -2.025 5.275 1.00 0.00 C ATOM 759 O LYS X 51 55.862 -1.600 5.970 1.00 0.00 O ATOM 760 CB LYS X 51 56.591 -3.024 3.683 1.00 0.00 C ATOM 761 CG LYS X 51 56.809 -1.769 2.852 1.00 0.00 C ATOM 762 CD LYS X 51 58.188 -1.751 2.217 1.00 0.00 C ATOM 763 CE LYS X 51 58.366 -2.899 1.235 1.00 0.00 C ATOM 764 NZ LYS X 51 59.729 -2.926 0.640 1.00 0.00 N ATOM 0 H LYS X 51 53.928 -2.165 2.899 1.00 0.00 H new ATOM 0 HA LYS X 51 55.093 -4.098 4.784 1.00 0.00 H new ATOM 0 HB2 LYS X 51 57.315 -3.039 4.498 1.00 0.00 H new ATOM 0 HB3 LYS X 51 56.790 -3.898 3.063 1.00 0.00 H new ATOM 0 HG2 LYS X 51 56.049 -1.711 2.073 1.00 0.00 H new ATOM 0 HG3 LYS X 51 56.687 -0.889 3.483 1.00 0.00 H new ATOM 0 HD2 LYS X 51 58.339 -0.803 1.701 1.00 0.00 H new ATOM 0 HD3 LYS X 51 58.949 -1.815 2.995 1.00 0.00 H new ATOM 0 HE2 LYS X 51 58.176 -3.843 1.745 1.00 0.00 H new ATOM 0 HE3 LYS X 51 57.626 -2.812 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 59.803 -3.725 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 59.903 -2.036 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 60.435 -3.036 1.395 1.00 0.00 H new ATOM 778 N HIS X 52 53.697 -1.524 5.297 1.00 0.00 N ATOM 779 CA HIS X 52 53.311 -0.408 6.161 1.00 0.00 C ATOM 780 C HIS X 52 54.047 0.860 5.732 1.00 0.00 C ATOM 781 O HIS X 52 53.732 1.380 4.647 1.00 0.00 O ATOM 782 CB HIS X 52 53.596 -0.730 7.637 1.00 0.00 C ATOM 783 CG HIS X 52 52.951 0.215 8.614 1.00 0.00 C ATOM 784 ND1 HIS X 52 53.146 0.156 9.978 1.00 0.00 N ATOM 785 CD2 HIS X 52 52.100 1.255 8.405 1.00 0.00 C ATOM 786 CE1 HIS X 52 52.426 1.134 10.542 1.00 0.00 C ATOM 787 NE2 HIS X 52 51.772 1.830 9.631 1.00 0.00 N ATOM 788 OXT HIS X 52 54.940 1.313 6.472 1.00 0.00 O ATOM 0 H HIS X 52 52.937 -1.881 4.718 1.00 0.00 H new ATOM 0 HA HIS X 52 52.238 -0.244 6.059 1.00 0.00 H new ATOM 0 HB2 HIS X 52 53.252 -1.743 7.848 1.00 0.00 H new ATOM 0 HB3 HIS X 52 54.674 -0.719 7.797 1.00 0.00 H new ATOM 0 HD2 HIS X 52 51.736 1.583 7.442 1.00 0.00 H new ATOM 0 HE1 HIS X 52 52.386 1.328 11.604 1.00 0.00 H new ATOM 0 HE2 HIS X 52 51.154 2.625 9.791 1.00 0.00 H new TER 796 HIS X 52