USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 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 37 CYS SG : rot -81:sc= -4.06! USER MOD Set 1.2: A 40 CYS SG : rot 67:sc= -2.32! USER MOD Set 2.1: A 35 TYR OH : rot 145:sc= -3.57! USER MOD Set 2.2: A 36 HIS : no HD1:sc= -34.8! C(o=-38!,f=-45!) USER MOD Set 3.1: A 24 GLN : amide:sc= -1.3 K(o=-2,f=-7.8!) USER MOD Set 3.2: A 29 GLN : amide:sc= -0.725 K(o=-2,f=-8.9) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 13 ASN : amide:sc= -0.953! C(o=-0.95!,f=-2.2!) USER MOD Single : A 15 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 2.27 (180deg=1.33) USER MOD Single : A 17 SER OG : rot 38:sc= 0.267 USER MOD Single : A 18 SER OG : rot -146:sc= 1.29 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00927 USER MOD Single : A 34 ASN : amide:sc= -0.0323 K(o=-0.032,f=-0.72) USER MOD Single : A 38 GLN : amide:sc= -0.795 K(o=-0.8,f=-2.6!) USER MOD Single : A 44 SER OG : rot 150:sc= -0.0351 USER MOD Single : A 49 TYR OH : rot -100:sc= -0.146 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= -0.673 (180deg=-0.943) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0.789 (180deg=0.0612) USER MOD Single : A 58 ASN : amide:sc= -1 X(o=-1,f=-0.55) USER MOD Single : A 70 GLN : amide:sc= 1.09 K(o=1.1,f=-0.015) USER MOD Single : A 72 GLN : amide:sc= 0.288 X(o=0.29,f=-0.16) USER MOD Single : A 73 TYR OH : rot -140:sc= -0.698 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 59.465 -7.020 2.247 1.00 0.00 N ATOM 38 CA ASP A 3 60.926 -7.266 2.483 1.00 0.00 C ATOM 39 C ASP A 3 61.119 -8.431 3.488 1.00 0.00 C ATOM 40 O ASP A 3 61.957 -9.301 3.313 1.00 0.00 O ATOM 41 CB ASP A 3 61.526 -5.918 2.976 1.00 0.00 C ATOM 42 CG ASP A 3 62.295 -6.037 4.301 1.00 0.00 C ATOM 43 OD1 ASP A 3 63.471 -6.338 4.258 1.00 0.00 O ATOM 44 OD2 ASP A 3 61.684 -5.816 5.331 1.00 0.00 O ATOM 0 HA ASP A 3 61.446 -7.579 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 3 62.196 -5.526 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 3 60.721 -5.193 3.096 1.00 0.00 H new ATOM 49 N ARG A 4 60.310 -8.429 4.505 1.00 0.00 N ATOM 50 CA ARG A 4 60.335 -9.496 5.579 1.00 0.00 C ATOM 51 C ARG A 4 59.857 -10.867 5.025 1.00 0.00 C ATOM 52 O ARG A 4 60.198 -11.907 5.569 1.00 0.00 O ATOM 53 CB ARG A 4 59.405 -9.078 6.738 1.00 0.00 C ATOM 54 CG ARG A 4 59.802 -7.690 7.271 1.00 0.00 C ATOM 55 CD ARG A 4 58.843 -7.264 8.391 1.00 0.00 C ATOM 56 NE ARG A 4 57.463 -6.939 7.845 1.00 0.00 N ATOM 57 CZ ARG A 4 57.265 -6.170 6.791 1.00 0.00 C ATOM 58 NH1 ARG A 4 58.087 -5.211 6.493 1.00 0.00 N ATOM 59 NH2 ARG A 4 56.224 -6.368 6.044 1.00 0.00 N ATOM 0 H ARG A 4 59.601 -7.711 4.655 1.00 0.00 H new ATOM 0 HA ARG A 4 61.362 -9.599 5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 4 58.371 -9.060 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 4 59.462 -9.813 7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 4 60.825 -7.715 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 4 59.777 -6.960 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 4 58.765 -8.063 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 4 59.247 -6.392 8.906 1.00 0.00 H new ATOM 0 HE ARG A 4 56.650 -7.335 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 4 58.905 -5.040 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 4 57.915 -4.628 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 4 55.566 -7.113 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 4 56.063 -5.779 5.227 1.00 0.00 H new ATOM 73 N ARG A 5 59.077 -10.873 3.956 1.00 0.00 N ATOM 74 CA ARG A 5 58.570 -12.141 3.353 1.00 0.00 C ATOM 75 C ARG A 5 58.977 -12.164 1.868 1.00 0.00 C ATOM 76 O ARG A 5 58.217 -11.767 0.996 1.00 0.00 O ATOM 77 CB ARG A 5 57.036 -12.200 3.510 1.00 0.00 C ATOM 78 CG ARG A 5 56.648 -13.338 4.467 1.00 0.00 C ATOM 79 CD ARG A 5 56.894 -14.709 3.810 1.00 0.00 C ATOM 80 NE ARG A 5 56.089 -14.831 2.547 1.00 0.00 N ATOM 81 CZ ARG A 5 56.347 -15.775 1.695 1.00 0.00 C ATOM 82 NH1 ARG A 5 55.783 -16.937 1.829 1.00 0.00 N ATOM 83 NH2 ARG A 5 57.171 -15.556 0.721 1.00 0.00 N ATOM 0 H ARG A 5 58.770 -10.028 3.474 1.00 0.00 H new ATOM 0 HA ARG A 5 58.996 -13.010 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 5 56.665 -11.249 3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 5 56.569 -12.356 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 5 57.228 -13.260 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 5 55.598 -13.245 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 5 57.954 -14.829 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 5 56.622 -15.506 4.502 1.00 0.00 H new ATOM 0 HE ARG A 5 55.336 -14.169 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 5 55.139 -17.105 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 5 55.984 -17.681 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 5 57.616 -14.643 0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 5 57.376 -16.296 0.050 1.00 0.00 H new ATOM 97 N ILE A 6 60.201 -12.597 1.608 1.00 0.00 N ATOM 98 CA ILE A 6 60.791 -12.655 0.221 1.00 0.00 C ATOM 99 C ILE A 6 59.776 -13.144 -0.860 1.00 0.00 C ATOM 100 O ILE A 6 58.885 -13.927 -0.571 1.00 0.00 O ATOM 101 CB ILE A 6 62.058 -13.566 0.295 1.00 0.00 C ATOM 102 CG1 ILE A 6 63.326 -12.697 0.221 1.00 0.00 C ATOM 103 CG2 ILE A 6 62.107 -14.625 -0.826 1.00 0.00 C ATOM 104 CD1 ILE A 6 63.332 -11.880 -1.077 1.00 0.00 C ATOM 0 H ILE A 6 60.838 -12.925 2.334 1.00 0.00 H new ATOM 0 HA ILE A 6 61.061 -11.649 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 6 62.006 -14.099 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 6 63.368 -12.028 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 6 64.213 -13.330 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 6 63.010 -15.226 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 6 61.232 -15.270 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 6 62.114 -14.128 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 6 64.234 -11.269 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 6 63.312 -12.556 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 6 62.455 -11.234 -1.104 1.00 0.00 H new ATOM 116 N PRO A 7 59.979 -12.656 -2.085 1.00 0.00 N ATOM 117 CA PRO A 7 59.090 -13.053 -3.212 1.00 0.00 C ATOM 118 C PRO A 7 59.283 -14.525 -3.662 1.00 0.00 C ATOM 119 O PRO A 7 59.474 -15.423 -2.858 1.00 0.00 O ATOM 120 CB PRO A 7 59.448 -12.066 -4.332 1.00 0.00 C ATOM 121 CG PRO A 7 60.095 -10.872 -3.683 1.00 0.00 C ATOM 122 CD PRO A 7 60.624 -11.339 -2.346 1.00 0.00 C ATOM 0 HA PRO A 7 58.040 -13.010 -2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 7 60.126 -12.528 -5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 7 58.555 -11.768 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 7 60.902 -10.483 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 7 59.375 -10.064 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 7 61.710 -11.434 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 7 60.382 -10.624 -1.560 1.00 0.00 H new ATOM 130 N GLY A 8 59.167 -14.762 -4.950 1.00 0.00 N ATOM 131 CA GLY A 8 59.263 -16.143 -5.526 1.00 0.00 C ATOM 132 C GLY A 8 58.148 -16.323 -6.576 1.00 0.00 C ATOM 133 O GLY A 8 58.290 -17.100 -7.499 1.00 0.00 O ATOM 0 H GLY A 8 59.005 -14.033 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 8 60.241 -16.294 -5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 8 59.162 -16.889 -4.737 1.00 0.00 H new ATOM 137 N THR A 9 57.037 -15.597 -6.435 1.00 0.00 N ATOM 138 CA THR A 9 55.904 -15.703 -7.412 1.00 0.00 C ATOM 139 C THR A 9 55.634 -14.316 -8.040 1.00 0.00 C ATOM 140 O THR A 9 55.928 -14.099 -9.201 1.00 0.00 O ATOM 141 CB THR A 9 54.644 -16.247 -6.692 1.00 0.00 C ATOM 142 OG1 THR A 9 54.219 -15.342 -5.674 1.00 0.00 O ATOM 143 CG2 THR A 9 54.975 -17.585 -6.039 1.00 0.00 C ATOM 0 H THR A 9 56.880 -14.935 -5.675 1.00 0.00 H new ATOM 0 HA THR A 9 56.165 -16.397 -8.211 1.00 0.00 H new ATOM 0 HB THR A 9 53.848 -16.364 -7.428 1.00 0.00 H new ATOM 0 HG1 THR A 9 53.422 -15.700 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 9 54.091 -17.971 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 9 55.293 -18.294 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 9 55.778 -17.448 -5.315 1.00 0.00 H new ATOM 151 N ALA A 10 55.086 -13.385 -7.275 1.00 0.00 N ATOM 152 CA ALA A 10 54.790 -12.007 -7.786 1.00 0.00 C ATOM 153 C ALA A 10 54.440 -11.090 -6.595 1.00 0.00 C ATOM 154 O ALA A 10 53.405 -11.249 -5.971 1.00 0.00 O ATOM 155 CB ALA A 10 53.604 -12.075 -8.758 1.00 0.00 C ATOM 0 H ALA A 10 54.829 -13.533 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 10 55.660 -11.606 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 10 53.383 -11.076 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 10 53.855 -12.729 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 10 52.730 -12.469 -8.239 1.00 0.00 H new ATOM 161 N GLU A 11 55.292 -10.145 -6.271 1.00 0.00 N ATOM 162 CA GLU A 11 55.019 -9.214 -5.108 1.00 0.00 C ATOM 163 C GLU A 11 53.704 -8.435 -5.318 1.00 0.00 C ATOM 164 O GLU A 11 52.985 -8.177 -4.369 1.00 0.00 O ATOM 165 CB GLU A 11 56.160 -8.196 -4.967 1.00 0.00 C ATOM 166 CG GLU A 11 57.478 -8.905 -4.625 1.00 0.00 C ATOM 167 CD GLU A 11 58.370 -8.974 -5.864 1.00 0.00 C ATOM 168 OE1 GLU A 11 59.126 -8.041 -6.072 1.00 0.00 O ATOM 169 OE2 GLU A 11 58.273 -9.951 -6.583 1.00 0.00 O ATOM 0 H GLU A 11 56.171 -9.971 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 11 54.941 -9.826 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 11 56.272 -7.637 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 11 55.916 -7.474 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 11 57.992 -8.370 -3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 57.275 -9.910 -4.256 1.00 0.00 H new ATOM 176 N GLU A 12 53.412 -8.037 -6.545 1.00 0.00 N ATOM 177 CA GLU A 12 52.175 -7.228 -6.835 1.00 0.00 C ATOM 178 C GLU A 12 50.867 -8.055 -6.785 1.00 0.00 C ATOM 179 O GLU A 12 49.809 -7.467 -6.636 1.00 0.00 O ATOM 180 CB GLU A 12 52.299 -6.552 -8.220 1.00 0.00 C ATOM 181 CG GLU A 12 53.610 -5.722 -8.365 1.00 0.00 C ATOM 182 CD GLU A 12 54.093 -5.132 -7.027 1.00 0.00 C ATOM 183 OE1 GLU A 12 53.430 -4.259 -6.497 1.00 0.00 O ATOM 184 OE2 GLU A 12 55.129 -5.568 -6.564 1.00 0.00 O ATOM 0 H GLU A 12 53.985 -8.242 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 12 52.108 -6.481 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 12 52.269 -7.316 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 51.441 -5.900 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 12 54.393 -6.357 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 12 53.445 -4.912 -9.076 1.00 0.00 H new ATOM 191 N ASN A 13 50.893 -9.390 -6.881 1.00 0.00 N ATOM 192 CA ASN A 13 49.590 -10.163 -6.809 1.00 0.00 C ATOM 193 C ASN A 13 48.961 -10.028 -5.403 1.00 0.00 C ATOM 194 O ASN A 13 47.759 -9.924 -5.255 1.00 0.00 O ATOM 195 CB ASN A 13 49.785 -11.636 -7.261 1.00 0.00 C ATOM 196 CG ASN A 13 50.056 -12.594 -6.098 1.00 0.00 C ATOM 197 OD1 ASN A 13 49.147 -13.156 -5.536 1.00 0.00 O ATOM 198 ND2 ASN A 13 51.269 -12.816 -5.716 1.00 0.00 N ATOM 0 H ASN A 13 51.734 -9.955 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 13 48.878 -9.730 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 13 48.894 -11.966 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 13 50.615 -11.686 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 13 51.452 -13.461 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 13 52.045 -12.347 -6.183 1.00 0.00 H new ATOM 205 N LEU A 14 49.796 -9.961 -4.409 1.00 0.00 N ATOM 206 CA LEU A 14 49.344 -9.750 -2.977 1.00 0.00 C ATOM 207 C LEU A 14 49.732 -8.311 -2.503 1.00 0.00 C ATOM 208 O LEU A 14 49.454 -7.952 -1.377 1.00 0.00 O ATOM 209 CB LEU A 14 49.971 -10.784 -1.994 1.00 0.00 C ATOM 210 CG LEU A 14 50.713 -11.911 -2.727 1.00 0.00 C ATOM 211 CD1 LEU A 14 52.201 -11.584 -2.806 1.00 0.00 C ATOM 212 CD2 LEU A 14 50.524 -13.236 -1.984 1.00 0.00 C ATOM 0 H LEU A 14 50.807 -10.044 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 14 48.262 -9.884 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 14 50.663 -10.272 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 14 49.185 -11.214 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 14 50.305 -12.002 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 14 52.723 -12.387 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 14 52.340 -10.649 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 52.605 -11.482 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 14 51.054 -14.028 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 14 50.921 -13.146 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 14 49.462 -13.479 -1.937 1.00 0.00 H new ATOM 224 N GLN A 15 50.379 -7.508 -3.362 1.00 0.00 N ATOM 225 CA GLN A 15 50.825 -6.088 -3.034 1.00 0.00 C ATOM 226 C GLN A 15 52.118 -6.102 -2.191 1.00 0.00 C ATOM 227 O GLN A 15 52.358 -7.019 -1.421 1.00 0.00 O ATOM 228 CB GLN A 15 49.739 -5.288 -2.276 1.00 0.00 C ATOM 229 CG GLN A 15 48.411 -5.289 -3.055 1.00 0.00 C ATOM 230 CD GLN A 15 47.239 -5.189 -2.070 1.00 0.00 C ATOM 231 OE1 GLN A 15 46.596 -4.168 -1.980 1.00 0.00 O ATOM 232 NE2 GLN A 15 46.935 -6.206 -1.318 1.00 0.00 N ATOM 0 H GLN A 15 50.621 -7.797 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 15 51.007 -5.595 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 15 49.586 -5.722 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 15 50.076 -4.262 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 15 48.386 -4.452 -3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 15 48.325 -6.200 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 15 47.472 -7.070 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 15 46.160 -6.139 -0.659 1.00 0.00 H new ATOM 241 N LYS A 16 52.942 -5.073 -2.322 1.00 0.00 N ATOM 242 CA LYS A 16 54.220 -4.986 -1.516 1.00 0.00 C ATOM 243 C LYS A 16 53.884 -4.434 -0.099 1.00 0.00 C ATOM 244 O LYS A 16 52.738 -4.495 0.323 1.00 0.00 O ATOM 245 CB LYS A 16 55.230 -4.059 -2.234 1.00 0.00 C ATOM 246 CG LYS A 16 55.499 -4.565 -3.657 1.00 0.00 C ATOM 247 CD LYS A 16 56.808 -3.957 -4.190 1.00 0.00 C ATOM 248 CE LYS A 16 57.847 -5.063 -4.434 1.00 0.00 C ATOM 249 NZ LYS A 16 57.815 -5.478 -5.868 1.00 0.00 N ATOM 0 H LYS A 16 52.783 -4.288 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 16 54.670 -5.974 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 16 54.839 -3.042 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 16 56.163 -4.022 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 16 55.566 -5.653 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 16 54.670 -4.295 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.616 -3.418 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.198 -3.233 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 16 58.842 -4.704 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 16 57.638 -5.919 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 58.276 -6.404 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 56.828 -5.545 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 58.319 -4.774 -6.444 1.00 0.00 H new ATOM 263 N SER A 17 54.868 -3.905 0.634 1.00 0.00 N ATOM 264 CA SER A 17 54.640 -3.339 2.027 1.00 0.00 C ATOM 265 C SER A 17 54.420 -4.470 3.057 1.00 0.00 C ATOM 266 O SER A 17 55.258 -4.695 3.918 1.00 0.00 O ATOM 267 CB SER A 17 53.445 -2.359 2.041 1.00 0.00 C ATOM 268 OG SER A 17 53.253 -1.836 3.355 1.00 0.00 O ATOM 0 H SER A 17 55.835 -3.843 0.315 1.00 0.00 H new ATOM 0 HA SER A 17 55.537 -2.788 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 17 53.625 -1.544 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 17 52.541 -2.871 1.710 1.00 0.00 H new ATOM 0 HG SER A 17 54.124 -1.675 3.774 1.00 0.00 H new ATOM 274 N SER A 18 53.304 -5.167 2.978 1.00 0.00 N ATOM 275 CA SER A 18 52.996 -6.277 3.931 1.00 0.00 C ATOM 276 C SER A 18 52.323 -7.448 3.171 1.00 0.00 C ATOM 277 O SER A 18 52.324 -7.476 1.950 1.00 0.00 O ATOM 278 CB SER A 18 52.079 -5.720 5.038 1.00 0.00 C ATOM 279 OG SER A 18 50.701 -5.884 4.686 1.00 0.00 O ATOM 0 H SER A 18 52.582 -5.005 2.276 1.00 0.00 H new ATOM 0 HA SER A 18 53.909 -6.663 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 18 52.283 -6.233 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 18 52.295 -4.664 5.198 1.00 0.00 H new ATOM 0 HG SER A 18 50.183 -5.127 5.031 1.00 0.00 H new ATOM 285 N GLY A 19 51.737 -8.405 3.884 1.00 0.00 N ATOM 286 CA GLY A 19 51.040 -9.571 3.221 1.00 0.00 C ATOM 287 C GLY A 19 50.035 -9.068 2.160 1.00 0.00 C ATOM 288 O GLY A 19 49.952 -9.629 1.081 1.00 0.00 O ATOM 0 H GLY A 19 51.714 -8.424 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 19 51.776 -10.224 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 19 50.519 -10.165 3.971 1.00 0.00 H new ATOM 292 N GLY A 20 49.299 -8.004 2.461 1.00 0.00 N ATOM 293 CA GLY A 20 48.314 -7.431 1.477 1.00 0.00 C ATOM 294 C GLY A 20 47.512 -6.266 2.092 1.00 0.00 C ATOM 295 O GLY A 20 46.306 -6.214 1.937 1.00 0.00 O ATOM 0 H GLY A 20 49.344 -7.511 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 20 48.845 -7.081 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 20 47.629 -8.213 1.150 1.00 0.00 H new ATOM 299 N VAL A 21 48.180 -5.326 2.762 1.00 0.00 N ATOM 300 CA VAL A 21 47.486 -4.135 3.387 1.00 0.00 C ATOM 301 C VAL A 21 48.528 -3.275 4.167 1.00 0.00 C ATOM 302 O VAL A 21 49.157 -3.759 5.096 1.00 0.00 O ATOM 303 CB VAL A 21 46.330 -4.568 4.330 1.00 0.00 C ATOM 304 CG1 VAL A 21 46.835 -5.459 5.476 1.00 0.00 C ATOM 305 CG2 VAL A 21 45.669 -3.311 4.908 1.00 0.00 C ATOM 0 H VAL A 21 49.190 -5.340 2.900 1.00 0.00 H new ATOM 0 HA VAL A 21 47.045 -3.542 2.586 1.00 0.00 H new ATOM 0 HB VAL A 21 45.611 -5.149 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 45.997 -5.741 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 21 47.295 -6.357 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 47.571 -4.912 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 21 44.855 -3.601 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 46.407 -2.736 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 21 45.274 -2.701 4.095 1.00 0.00 H new ATOM 315 N PRO A 22 48.675 -2.026 3.758 1.00 0.00 N ATOM 316 CA PRO A 22 49.650 -1.133 4.453 1.00 0.00 C ATOM 317 C PRO A 22 48.952 -0.328 5.566 1.00 0.00 C ATOM 318 O PRO A 22 49.334 -0.412 6.721 1.00 0.00 O ATOM 319 CB PRO A 22 50.210 -0.206 3.364 1.00 0.00 C ATOM 320 CG PRO A 22 49.545 -0.606 2.032 1.00 0.00 C ATOM 321 CD PRO A 22 48.573 -1.747 2.309 1.00 0.00 C ATOM 0 HA PRO A 22 50.445 -1.700 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 22 49.998 0.837 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 22 51.294 -0.304 3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 22 49.019 0.245 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 22 50.299 -0.916 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 22 47.555 -1.468 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 22 48.830 -2.629 1.723 1.00 0.00 H new ATOM 329 N GLY A 23 47.932 0.442 5.226 1.00 0.00 N ATOM 330 CA GLY A 23 47.201 1.253 6.266 1.00 0.00 C ATOM 331 C GLY A 23 45.851 1.748 5.729 1.00 0.00 C ATOM 332 O GLY A 23 45.623 2.939 5.622 1.00 0.00 O ATOM 0 H GLY A 23 47.576 0.542 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.042 0.648 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.812 2.105 6.564 1.00 0.00 H new ATOM 336 N GLN A 24 44.956 0.836 5.398 1.00 0.00 N ATOM 337 CA GLN A 24 43.601 1.232 4.853 1.00 0.00 C ATOM 338 C GLN A 24 42.500 1.228 5.948 1.00 0.00 C ATOM 339 O GLN A 24 41.323 1.087 5.661 1.00 0.00 O ATOM 340 CB GLN A 24 43.229 0.257 3.743 1.00 0.00 C ATOM 341 CG GLN A 24 43.798 0.734 2.391 1.00 0.00 C ATOM 342 CD GLN A 24 45.333 0.601 2.361 1.00 0.00 C ATOM 343 OE1 GLN A 24 45.893 -0.322 2.913 1.00 0.00 O ATOM 344 NE2 GLN A 24 46.044 1.493 1.740 1.00 0.00 N ATOM 0 H GLN A 24 45.104 -0.170 5.481 1.00 0.00 H new ATOM 0 HA GLN A 24 43.666 2.252 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 24 43.616 -0.735 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 24 42.145 0.169 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 24 43.363 0.148 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 24 43.516 1.773 2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 24 45.586 2.275 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 24 47.061 1.412 1.721 1.00 0.00 H new ATOM 353 N ASN A 25 42.886 1.410 7.183 1.00 0.00 N ATOM 354 CA ASN A 25 41.908 1.452 8.328 1.00 0.00 C ATOM 355 C ASN A 25 41.729 2.916 8.780 1.00 0.00 C ATOM 356 O ASN A 25 40.629 3.431 8.800 1.00 0.00 O ATOM 357 CB ASN A 25 42.453 0.603 9.489 1.00 0.00 C ATOM 358 CG ASN A 25 41.355 0.297 10.474 1.00 0.00 C ATOM 359 OD1 ASN A 25 40.507 -0.531 10.242 1.00 0.00 O ATOM 360 ND2 ASN A 25 41.349 0.948 11.586 1.00 0.00 N ATOM 0 H ASN A 25 43.860 1.535 7.460 1.00 0.00 H new ATOM 0 HA ASN A 25 40.944 1.051 8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.874 -0.326 9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 25 43.262 1.136 9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.624 0.766 12.280 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.070 1.645 11.773 1.00 0.00 H new ATOM 367 N THR A 26 42.816 3.580 9.128 1.00 0.00 N ATOM 368 CA THR A 26 42.758 5.017 9.571 1.00 0.00 C ATOM 369 C THR A 26 42.700 5.955 8.347 1.00 0.00 C ATOM 370 O THR A 26 42.046 6.982 8.393 1.00 0.00 O ATOM 371 CB THR A 26 44.002 5.357 10.412 1.00 0.00 C ATOM 372 OG1 THR A 26 45.174 4.910 9.737 1.00 0.00 O ATOM 373 CG2 THR A 26 43.912 4.663 11.772 1.00 0.00 C ATOM 0 H THR A 26 43.754 3.179 9.123 1.00 0.00 H new ATOM 0 HA THR A 26 41.860 5.157 10.172 1.00 0.00 H new ATOM 0 HB THR A 26 44.050 6.437 10.555 1.00 0.00 H new ATOM 0 HG1 THR A 26 45.964 5.129 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 26 44.794 4.906 12.364 1.00 0.00 H new ATOM 0 HG22 THR A 26 43.019 5.003 12.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 43.859 3.584 11.627 1.00 0.00 H new ATOM 381 N GLY A 27 43.387 5.613 7.264 1.00 0.00 N ATOM 382 CA GLY A 27 43.386 6.478 6.030 1.00 0.00 C ATOM 383 C GLY A 27 44.826 6.800 5.603 1.00 0.00 C ATOM 384 O GLY A 27 45.158 6.718 4.432 1.00 0.00 O ATOM 0 H GLY A 27 43.950 4.766 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.865 5.967 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 27 42.842 7.402 6.226 1.00 0.00 H new ATOM 388 N GLY A 28 45.680 7.167 6.547 1.00 0.00 N ATOM 389 CA GLY A 28 47.112 7.505 6.221 1.00 0.00 C ATOM 390 C GLY A 28 47.937 6.221 6.040 1.00 0.00 C ATOM 391 O GLY A 28 48.725 5.863 6.897 1.00 0.00 O ATOM 0 H GLY A 28 45.440 7.246 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 28 47.153 8.103 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 28 47.540 8.111 7.020 1.00 0.00 H new ATOM 395 N GLN A 29 47.761 5.540 4.922 1.00 0.00 N ATOM 396 CA GLN A 29 48.529 4.267 4.645 1.00 0.00 C ATOM 397 C GLN A 29 50.017 4.568 4.345 1.00 0.00 C ATOM 398 O GLN A 29 50.887 3.795 4.708 1.00 0.00 O ATOM 399 CB GLN A 29 47.886 3.497 3.465 1.00 0.00 C ATOM 400 CG GLN A 29 47.869 4.338 2.163 1.00 0.00 C ATOM 401 CD GLN A 29 48.750 3.688 1.082 1.00 0.00 C ATOM 402 OE1 GLN A 29 48.780 2.483 0.941 1.00 0.00 O ATOM 403 NE2 GLN A 29 49.462 4.438 0.296 1.00 0.00 N ATOM 0 H GLN A 29 47.113 5.813 4.183 1.00 0.00 H new ATOM 0 HA GLN A 29 48.484 3.644 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 29 48.437 2.573 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 29 46.866 3.216 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 29 46.846 4.431 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 29 48.226 5.347 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 29 49.445 5.452 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 29 50.038 4.013 -0.430 1.00 0.00 H new ATOM 412 N GLU A 30 50.311 5.687 3.704 1.00 0.00 N ATOM 413 CA GLU A 30 51.734 6.052 3.391 1.00 0.00 C ATOM 414 C GLU A 30 52.160 7.272 4.250 1.00 0.00 C ATOM 415 O GLU A 30 52.630 8.282 3.752 1.00 0.00 O ATOM 416 CB GLU A 30 51.873 6.334 1.880 1.00 0.00 C ATOM 417 CG GLU A 30 50.954 7.491 1.433 1.00 0.00 C ATOM 418 CD GLU A 30 51.065 7.683 -0.076 1.00 0.00 C ATOM 419 OE1 GLU A 30 52.051 8.260 -0.510 1.00 0.00 O ATOM 420 OE2 GLU A 30 50.169 7.243 -0.769 1.00 0.00 O ATOM 0 H GLU A 30 49.618 6.364 3.384 1.00 0.00 H new ATOM 0 HA GLU A 30 52.399 5.224 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 52.909 6.581 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.627 5.434 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 49.921 7.274 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 30 51.234 8.410 1.948 1.00 0.00 H new ATOM 427 N ALA A 31 51.998 7.167 5.554 1.00 0.00 N ATOM 428 CA ALA A 31 52.379 8.292 6.481 1.00 0.00 C ATOM 429 C ALA A 31 53.917 8.458 6.564 1.00 0.00 C ATOM 430 O ALA A 31 54.407 9.569 6.624 1.00 0.00 O ATOM 431 CB ALA A 31 51.815 7.993 7.875 1.00 0.00 C ATOM 0 H ALA A 31 51.615 6.344 6.019 1.00 0.00 H new ATOM 0 HA ALA A 31 51.964 9.223 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 31 52.083 8.800 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 31 50.730 7.912 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 31 52.231 7.055 8.242 1.00 0.00 H new ATOM 437 N ARG A 32 54.664 7.356 6.585 1.00 0.00 N ATOM 438 CA ARG A 32 56.178 7.397 6.686 1.00 0.00 C ATOM 439 C ARG A 32 56.665 8.183 7.979 1.00 0.00 C ATOM 440 O ARG A 32 57.140 9.303 7.854 1.00 0.00 O ATOM 441 CB ARG A 32 56.757 8.049 5.406 1.00 0.00 C ATOM 442 CG ARG A 32 56.860 7.000 4.285 1.00 0.00 C ATOM 443 CD ARG A 32 55.579 7.023 3.450 1.00 0.00 C ATOM 444 NE ARG A 32 55.780 7.931 2.266 1.00 0.00 N ATOM 445 CZ ARG A 32 54.863 8.044 1.352 1.00 0.00 C ATOM 446 NH1 ARG A 32 54.763 7.156 0.413 1.00 0.00 N ATOM 447 NH2 ARG A 32 54.041 9.042 1.392 1.00 0.00 N ATOM 0 H ARG A 32 54.277 6.413 6.535 1.00 0.00 H new ATOM 0 HA ARG A 32 56.543 6.374 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 32 56.119 8.874 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 32 57.741 8.469 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 32 57.723 7.210 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 32 57.011 6.009 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 32 55.331 6.016 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 32 54.742 7.373 4.055 1.00 0.00 H new ATOM 0 HE ARG A 32 56.646 8.464 2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 32 55.406 6.364 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 32 54.042 7.249 -0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 32 54.115 9.734 2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 32 53.319 9.137 0.678 1.00 0.00 H new ATOM 461 N PRO A 33 56.539 7.574 9.194 1.00 0.00 N ATOM 462 CA PRO A 33 57.007 8.330 10.418 1.00 0.00 C ATOM 463 C PRO A 33 58.004 7.548 11.321 1.00 0.00 C ATOM 464 O PRO A 33 59.188 7.559 11.026 1.00 0.00 O ATOM 465 CB PRO A 33 55.707 8.665 11.160 1.00 0.00 C ATOM 466 CG PRO A 33 54.699 7.567 10.753 1.00 0.00 C ATOM 467 CD PRO A 33 55.217 6.947 9.442 1.00 0.00 C ATOM 0 HA PRO A 33 57.585 9.209 10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 33 55.863 8.673 12.239 1.00 0.00 H new ATOM 0 HB3 PRO A 33 55.342 9.654 10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 33 54.618 6.810 11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 33 53.704 7.989 10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 33 55.308 5.864 9.530 1.00 0.00 H new ATOM 0 HD3 PRO A 33 54.530 7.143 8.618 1.00 0.00 H new ATOM 475 N ASN A 34 57.586 6.905 12.433 1.00 0.00 N ATOM 476 CA ASN A 34 58.604 6.186 13.291 1.00 0.00 C ATOM 477 C ASN A 34 58.463 4.678 13.414 1.00 0.00 C ATOM 478 O ASN A 34 59.341 4.044 13.973 1.00 0.00 O ATOM 479 CB ASN A 34 58.827 6.815 14.595 1.00 0.00 C ATOM 480 CG ASN A 34 57.528 7.009 15.392 1.00 0.00 C ATOM 481 OD1 ASN A 34 56.672 7.772 15.005 1.00 0.00 O ATOM 482 ND2 ASN A 34 57.344 6.347 16.494 1.00 0.00 N ATOM 0 H ASN A 34 56.621 6.857 12.759 1.00 0.00 H new ATOM 0 HA ASN A 34 59.508 6.315 12.696 1.00 0.00 H new ATOM 0 HB2 ASN A 34 59.516 6.202 15.176 1.00 0.00 H new ATOM 0 HB3 ASN A 34 59.307 7.783 14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 34 56.483 6.472 17.026 1.00 0.00 H new ATOM 0 HD22 ASN A 34 58.060 5.702 16.827 1.00 0.00 H new ATOM 489 N TYR A 35 57.495 4.138 12.740 1.00 0.00 N ATOM 490 CA TYR A 35 57.346 2.651 12.510 1.00 0.00 C ATOM 491 C TYR A 35 58.755 1.909 12.565 1.00 0.00 C ATOM 492 O TYR A 35 58.947 0.914 13.237 1.00 0.00 O ATOM 493 CB TYR A 35 56.682 2.509 11.093 1.00 0.00 C ATOM 494 CG TYR A 35 57.119 3.541 9.990 1.00 0.00 C ATOM 495 CD1 TYR A 35 58.020 4.634 10.174 1.00 0.00 C ATOM 496 CD2 TYR A 35 56.626 3.335 8.719 1.00 0.00 C ATOM 497 CE1 TYR A 35 58.408 5.420 9.133 1.00 0.00 C ATOM 498 CE2 TYR A 35 57.017 4.160 7.670 1.00 0.00 C ATOM 499 CZ TYR A 35 57.927 5.196 7.881 1.00 0.00 C ATOM 500 OH TYR A 35 58.432 5.938 6.838 1.00 0.00 O ATOM 0 H TYR A 35 56.752 4.688 12.309 1.00 0.00 H new ATOM 0 HA TYR A 35 56.738 2.187 13.286 1.00 0.00 H new ATOM 0 HB2 TYR A 35 56.892 1.506 10.720 1.00 0.00 H new ATOM 0 HB3 TYR A 35 55.602 2.583 11.217 1.00 0.00 H new ATOM 0 HD1 TYR A 35 58.402 4.842 11.163 1.00 0.00 H new ATOM 0 HD2 TYR A 35 55.932 2.528 8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.104 6.228 9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 35 56.612 3.997 6.682 1.00 0.00 H new ATOM 0 HH TYR A 35 58.472 5.383 6.031 1.00 0.00 H new ATOM 510 N HIS A 36 59.705 2.503 11.888 1.00 0.00 N ATOM 511 CA HIS A 36 61.183 2.127 11.784 1.00 0.00 C ATOM 512 C HIS A 36 61.965 3.497 11.576 1.00 0.00 C ATOM 513 O HIS A 36 62.909 3.603 10.856 1.00 0.00 O ATOM 514 CB HIS A 36 61.351 1.249 10.596 1.00 0.00 C ATOM 515 CG HIS A 36 60.686 1.934 9.504 1.00 0.00 C ATOM 516 ND1 HIS A 36 59.764 1.300 8.794 1.00 0.00 N ATOM 517 CD2 HIS A 36 60.692 3.243 9.098 1.00 0.00 C ATOM 518 CE1 HIS A 36 59.232 2.182 8.006 1.00 0.00 C ATOM 519 NE2 HIS A 36 59.787 3.357 8.124 1.00 0.00 N ATOM 0 H HIS A 36 59.499 3.334 11.334 1.00 0.00 H new ATOM 0 HA HIS A 36 61.553 1.600 12.663 1.00 0.00 H new ATOM 0 HB2 HIS A 36 62.406 1.089 10.373 1.00 0.00 H new ATOM 0 HB3 HIS A 36 60.910 0.267 10.769 1.00 0.00 H new ATOM 0 HD2 HIS A 36 61.313 4.034 9.492 1.00 0.00 H new ATOM 0 HE1 HIS A 36 58.420 1.968 7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 36 59.572 4.194 7.581 1.00 0.00 H new ATOM 527 N CYS A 37 61.422 4.541 12.141 1.00 0.00 N ATOM 528 CA CYS A 37 61.855 5.985 12.016 1.00 0.00 C ATOM 529 C CYS A 37 62.326 6.355 10.615 1.00 0.00 C ATOM 530 O CYS A 37 63.412 6.840 10.398 1.00 0.00 O ATOM 531 CB CYS A 37 62.772 6.254 13.130 1.00 0.00 C ATOM 532 SG CYS A 37 64.275 5.233 13.057 1.00 0.00 S ATOM 0 H CYS A 37 60.609 4.444 12.749 1.00 0.00 H new ATOM 0 HA CYS A 37 61.014 6.671 12.117 1.00 0.00 H new ATOM 0 HB2 CYS A 37 63.052 7.308 13.120 1.00 0.00 H new ATOM 0 HB3 CYS A 37 62.257 6.070 14.073 1.00 0.00 H new ATOM 0 HG CYS A 37 64.021 4.052 13.539 1.00 0.00 H new ATOM 538 N GLN A 38 61.410 6.080 9.689 1.00 0.00 N ATOM 539 CA GLN A 38 61.539 6.275 8.192 1.00 0.00 C ATOM 540 C GLN A 38 62.993 6.116 7.775 1.00 0.00 C ATOM 541 O GLN A 38 63.491 6.899 7.002 1.00 0.00 O ATOM 542 CB GLN A 38 60.954 7.660 7.851 1.00 0.00 C ATOM 543 CG GLN A 38 60.515 7.757 6.374 1.00 0.00 C ATOM 544 CD GLN A 38 61.402 8.733 5.585 1.00 0.00 C ATOM 545 OE1 GLN A 38 61.912 8.392 4.537 1.00 0.00 O ATOM 546 NE2 GLN A 38 61.591 9.947 6.020 1.00 0.00 N ATOM 0 H GLN A 38 60.501 5.694 9.944 1.00 0.00 H new ATOM 0 HA GLN A 38 60.983 5.522 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 38 60.099 7.861 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 38 61.698 8.429 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 38 60.561 6.770 5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 38 59.477 8.085 6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 38 61.168 10.245 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 38 62.162 10.599 5.482 1.00 0.00 H new ATOM 555 N LEU A 39 63.649 5.100 8.354 1.00 0.00 N ATOM 556 CA LEU A 39 65.109 4.820 8.145 1.00 0.00 C ATOM 557 C LEU A 39 65.413 3.390 8.537 1.00 0.00 C ATOM 558 O LEU A 39 65.845 2.595 7.714 1.00 0.00 O ATOM 559 CB LEU A 39 65.864 5.728 9.088 1.00 0.00 C ATOM 560 CG LEU A 39 65.768 7.144 8.572 1.00 0.00 C ATOM 561 CD1 LEU A 39 66.574 8.044 9.461 1.00 0.00 C ATOM 562 CD2 LEU A 39 66.238 7.170 7.111 1.00 0.00 C ATOM 0 H LEU A 39 63.197 4.438 8.985 1.00 0.00 H new ATOM 0 HA LEU A 39 65.386 4.980 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 39 65.446 5.662 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 39 66.907 5.420 9.156 1.00 0.00 H new ATOM 0 HG LEU A 39 64.741 7.507 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 39 66.510 9.069 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 39 66.183 7.996 10.477 1.00 0.00 H new ATOM 0 HD13 LEU A 39 67.615 7.722 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 39 66.174 8.188 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 39 67.271 6.826 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 39 65.604 6.515 6.513 1.00 0.00 H new ATOM 574 N CYS A 40 65.090 3.043 9.791 1.00 0.00 N ATOM 575 CA CYS A 40 65.221 1.638 10.271 1.00 0.00 C ATOM 576 C CYS A 40 64.492 0.743 9.233 1.00 0.00 C ATOM 577 O CYS A 40 64.876 -0.384 8.987 1.00 0.00 O ATOM 578 CB CYS A 40 64.612 1.448 11.678 1.00 0.00 C ATOM 579 SG CYS A 40 65.299 2.672 12.830 1.00 0.00 S ATOM 0 H CYS A 40 64.740 3.697 10.491 1.00 0.00 H new ATOM 0 HA CYS A 40 66.274 1.369 10.359 1.00 0.00 H new ATOM 0 HB2 CYS A 40 63.528 1.552 11.630 1.00 0.00 H new ATOM 0 HB3 CYS A 40 64.820 0.441 12.039 1.00 0.00 H new ATOM 0 HG CYS A 40 64.896 3.861 12.492 1.00 0.00 H new ATOM 585 N PHE A 41 63.454 1.323 8.595 1.00 0.00 N ATOM 586 CA PHE A 41 62.642 0.709 7.551 1.00 0.00 C ATOM 587 C PHE A 41 62.390 -0.801 7.829 1.00 0.00 C ATOM 588 O PHE A 41 61.669 -1.072 8.762 1.00 0.00 O ATOM 589 CB PHE A 41 63.248 1.119 6.180 1.00 0.00 C ATOM 590 CG PHE A 41 62.805 2.540 5.779 1.00 0.00 C ATOM 591 CD1 PHE A 41 61.487 3.010 5.941 1.00 0.00 C ATOM 592 CD2 PHE A 41 63.749 3.415 5.261 1.00 0.00 C ATOM 593 CE1 PHE A 41 61.164 4.300 5.590 1.00 0.00 C ATOM 594 CE2 PHE A 41 63.404 4.709 4.917 1.00 0.00 C ATOM 595 CZ PHE A 41 62.117 5.141 5.084 1.00 0.00 C ATOM 0 H PHE A 41 63.155 2.274 8.811 1.00 0.00 H new ATOM 0 HA PHE A 41 61.618 1.082 7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 41 64.336 1.075 6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 41 62.937 0.408 5.414 1.00 0.00 H new ATOM 0 HD1 PHE A 41 60.728 2.355 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.767 3.081 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 41 60.151 4.652 5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.151 5.379 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 41 61.851 6.153 4.815 1.00 0.00 H new ATOM 605 N LEU A 42 62.931 -1.739 7.062 1.00 0.00 N ATOM 606 CA LEU A 42 62.705 -3.247 7.268 1.00 0.00 C ATOM 607 C LEU A 42 61.328 -3.627 7.947 1.00 0.00 C ATOM 608 O LEU A 42 60.393 -3.994 7.268 1.00 0.00 O ATOM 609 CB LEU A 42 63.894 -3.822 8.068 1.00 0.00 C ATOM 610 CG LEU A 42 64.364 -5.137 7.430 1.00 0.00 C ATOM 611 CD1 LEU A 42 65.854 -5.336 7.702 1.00 0.00 C ATOM 612 CD2 LEU A 42 63.584 -6.310 8.030 1.00 0.00 C ATOM 0 H LEU A 42 63.541 -1.525 6.273 1.00 0.00 H new ATOM 0 HA LEU A 42 62.649 -3.695 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 64.713 -3.103 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.598 -3.995 9.103 1.00 0.00 H new ATOM 0 HG LEU A 42 64.190 -5.094 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 42 66.185 -6.270 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.416 -4.506 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 66.026 -5.375 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 42 63.920 -7.241 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 42 63.756 -6.349 9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 42 62.520 -6.176 7.837 1.00 0.00 H new ATOM 624 N ARG A 43 61.224 -3.538 9.277 1.00 0.00 N ATOM 625 CA ARG A 43 59.962 -3.881 10.066 1.00 0.00 C ATOM 626 C ARG A 43 58.628 -3.403 9.403 1.00 0.00 C ATOM 627 O ARG A 43 57.695 -4.176 9.294 1.00 0.00 O ATOM 628 CB ARG A 43 60.094 -3.220 11.453 1.00 0.00 C ATOM 629 CG ARG A 43 59.090 -3.822 12.447 1.00 0.00 C ATOM 630 CD ARG A 43 59.467 -3.393 13.872 1.00 0.00 C ATOM 631 NE ARG A 43 59.007 -1.980 14.117 1.00 0.00 N ATOM 632 CZ ARG A 43 59.001 -1.485 15.318 1.00 0.00 C ATOM 633 NH1 ARG A 43 58.126 -1.896 16.185 1.00 0.00 N ATOM 634 NH2 ARG A 43 59.865 -0.570 15.638 1.00 0.00 N ATOM 0 H ARG A 43 61.995 -3.229 9.869 1.00 0.00 H new ATOM 0 HA ARG A 43 59.895 -4.968 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.108 -3.354 11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 43 59.926 -2.147 11.366 1.00 0.00 H new ATOM 0 HG2 ARG A 43 58.080 -3.487 12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 43 59.092 -4.909 12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 43 59.009 -4.065 14.597 1.00 0.00 H new ATOM 0 HD3 ARG A 43 60.546 -3.463 14.009 1.00 0.00 H new ATOM 0 HE ARG A 43 58.697 -1.406 13.333 1.00 0.00 H new ATOM 0 HH11 ARG A 43 57.444 -2.607 15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.121 -1.507 17.128 1.00 0.00 H new ATOM 0 HH21 ARG A 43 60.542 -0.245 14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 43 59.866 -0.177 16.579 1.00 0.00 H new ATOM 648 N SER A 44 58.530 -2.146 8.999 1.00 0.00 N ATOM 649 CA SER A 44 57.247 -1.611 8.373 1.00 0.00 C ATOM 650 C SER A 44 57.412 -1.518 6.835 1.00 0.00 C ATOM 651 O SER A 44 57.437 -2.547 6.188 1.00 0.00 O ATOM 652 CB SER A 44 56.924 -0.251 8.996 1.00 0.00 C ATOM 653 OG SER A 44 55.658 0.210 8.535 1.00 0.00 O ATOM 0 H SER A 44 59.282 -1.461 9.074 1.00 0.00 H new ATOM 0 HA SER A 44 56.414 -2.286 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 44 56.916 -0.333 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 44 57.699 0.470 8.736 1.00 0.00 H new ATOM 0 HG SER A 44 55.241 0.765 9.226 1.00 0.00 H new ATOM 659 N LEU A 45 57.579 -0.317 6.244 1.00 0.00 N ATOM 660 CA LEU A 45 57.820 -0.170 4.775 1.00 0.00 C ATOM 661 C LEU A 45 56.563 -0.329 3.953 1.00 0.00 C ATOM 662 O LEU A 45 55.939 -1.364 3.920 1.00 0.00 O ATOM 663 CB LEU A 45 58.932 -1.130 4.296 1.00 0.00 C ATOM 664 CG LEU A 45 60.137 -1.126 5.273 1.00 0.00 C ATOM 665 CD1 LEU A 45 61.438 -1.317 4.512 1.00 0.00 C ATOM 666 CD2 LEU A 45 60.262 0.193 6.041 1.00 0.00 C ATOM 0 H LEU A 45 57.553 0.568 6.751 1.00 0.00 H new ATOM 0 HA LEU A 45 58.160 0.854 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 45 58.532 -2.141 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 45 59.266 -0.836 3.301 1.00 0.00 H new ATOM 0 HG LEU A 45 59.958 -1.942 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 45 62.273 -1.312 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 61.414 -2.270 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 45 61.562 -0.507 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 45 61.120 0.144 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 60.398 1.013 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 59.356 0.362 6.624 1.00 0.00 H new ATOM 678 N GLY A 46 56.254 0.724 3.244 1.00 0.00 N ATOM 679 CA GLY A 46 55.069 0.741 2.313 1.00 0.00 C ATOM 680 C GLY A 46 55.494 0.286 0.891 1.00 0.00 C ATOM 681 O GLY A 46 54.672 0.165 0.005 1.00 0.00 O ATOM 0 H GLY A 46 56.781 1.597 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 46 54.289 0.083 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 46 54.646 1.745 2.270 1.00 0.00 H new ATOM 685 N ILE A 47 56.785 0.074 0.682 1.00 0.00 N ATOM 686 CA ILE A 47 57.354 -0.326 -0.651 1.00 0.00 C ATOM 687 C ILE A 47 58.679 -1.091 -0.434 1.00 0.00 C ATOM 688 O ILE A 47 59.619 -0.937 -1.204 1.00 0.00 O ATOM 689 CB ILE A 47 57.667 0.962 -1.463 1.00 0.00 C ATOM 690 CG1 ILE A 47 57.934 2.205 -0.549 1.00 0.00 C ATOM 691 CG2 ILE A 47 56.479 1.273 -2.378 1.00 0.00 C ATOM 692 CD1 ILE A 47 59.086 2.006 0.483 1.00 0.00 C ATOM 0 H ILE A 47 57.489 0.167 1.414 1.00 0.00 H new ATOM 0 HA ILE A 47 56.639 -0.956 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 47 58.575 0.773 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 47 58.171 3.061 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 47 57.018 2.449 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 47 56.689 2.175 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 47 56.317 0.438 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 47 55.585 1.427 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 47 59.205 2.913 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 47 58.844 1.172 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 47 60.015 1.793 -0.046 1.00 0.00 H new ATOM 704 N ASP A 48 58.791 -1.858 0.650 1.00 0.00 N ATOM 705 CA ASP A 48 60.088 -2.560 0.973 1.00 0.00 C ATOM 706 C ASP A 48 61.219 -1.471 1.038 1.00 0.00 C ATOM 707 O ASP A 48 62.351 -1.692 0.650 1.00 0.00 O ATOM 708 CB ASP A 48 60.369 -3.658 -0.088 1.00 0.00 C ATOM 709 CG ASP A 48 59.073 -4.414 -0.443 1.00 0.00 C ATOM 710 OD1 ASP A 48 58.385 -4.861 0.463 1.00 0.00 O ATOM 711 OD2 ASP A 48 58.781 -4.515 -1.615 1.00 0.00 O ATOM 0 H ASP A 48 58.038 -2.023 1.318 1.00 0.00 H new ATOM 0 HA ASP A 48 60.041 -3.067 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 48 60.789 -3.205 -0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 48 61.112 -4.358 0.294 1.00 0.00 H new ATOM 716 N TYR A 49 60.829 -0.276 1.524 1.00 0.00 N ATOM 717 CA TYR A 49 61.688 0.956 1.677 1.00 0.00 C ATOM 718 C TYR A 49 63.190 0.722 1.552 1.00 0.00 C ATOM 719 O TYR A 49 63.837 0.210 2.458 1.00 0.00 O ATOM 720 CB TYR A 49 61.406 1.569 3.052 1.00 0.00 C ATOM 721 CG TYR A 49 60.981 2.995 2.871 1.00 0.00 C ATOM 722 CD1 TYR A 49 61.830 3.899 2.235 1.00 0.00 C ATOM 723 CD2 TYR A 49 59.723 3.412 3.308 1.00 0.00 C ATOM 724 CE1 TYR A 49 61.423 5.193 2.030 1.00 0.00 C ATOM 725 CE2 TYR A 49 59.326 4.721 3.119 1.00 0.00 C ATOM 726 CZ TYR A 49 60.169 5.621 2.471 1.00 0.00 C ATOM 727 OH TYR A 49 59.767 6.921 2.269 1.00 0.00 O ATOM 0 H TYR A 49 59.872 -0.117 1.839 1.00 0.00 H new ATOM 0 HA TYR A 49 61.420 1.614 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 49 60.626 1.005 3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 49 62.297 1.518 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 49 62.808 3.581 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 49 59.060 2.711 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 49 62.078 5.886 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 49 58.360 5.048 3.474 1.00 0.00 H new ATOM 0 HH TYR A 49 59.893 7.434 3.094 1.00 0.00 H new ATOM 737 N LEU A 50 63.748 1.218 0.470 1.00 0.00 N ATOM 738 CA LEU A 50 65.231 1.190 0.282 1.00 0.00 C ATOM 739 C LEU A 50 65.745 2.076 1.426 1.00 0.00 C ATOM 740 O LEU A 50 66.499 1.628 2.272 1.00 0.00 O ATOM 741 CB LEU A 50 65.564 1.810 -1.100 1.00 0.00 C ATOM 742 CG LEU A 50 67.087 2.023 -1.320 1.00 0.00 C ATOM 743 CD1 LEU A 50 67.572 3.280 -0.584 1.00 0.00 C ATOM 744 CD2 LEU A 50 67.884 0.808 -0.824 1.00 0.00 C ATOM 0 H LEU A 50 63.230 1.645 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 50 65.674 0.194 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 50 65.176 1.161 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 50 65.052 2.767 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 50 67.252 2.147 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 50 68.641 3.410 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 50 67.037 4.152 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 67.383 3.172 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 68.948 0.979 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 50 67.700 0.662 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 50 67.571 -0.081 -1.372 1.00 0.00 H new ATOM 756 N ASP A 51 65.219 3.311 1.435 1.00 0.00 N ATOM 757 CA ASP A 51 65.453 4.372 2.454 1.00 0.00 C ATOM 758 C ASP A 51 65.419 5.724 1.711 1.00 0.00 C ATOM 759 O ASP A 51 66.287 6.046 0.944 1.00 0.00 O ATOM 760 CB ASP A 51 66.723 4.121 3.276 1.00 0.00 C ATOM 761 CG ASP A 51 66.829 5.048 4.482 1.00 0.00 C ATOM 762 OD1 ASP A 51 66.535 6.219 4.351 1.00 0.00 O ATOM 763 OD2 ASP A 51 67.227 4.558 5.520 1.00 0.00 O ATOM 0 H ASP A 51 64.585 3.622 0.699 1.00 0.00 H new ATOM 0 HA ASP A 51 64.671 4.372 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 51 66.734 3.085 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 51 67.597 4.257 2.639 1.00 0.00 H new ATOM 768 N ALA A 52 64.358 6.479 1.914 1.00 0.00 N ATOM 769 CA ALA A 52 64.160 7.798 1.201 1.00 0.00 C ATOM 770 C ALA A 52 64.582 8.995 2.073 1.00 0.00 C ATOM 771 O ALA A 52 64.235 10.127 1.777 1.00 0.00 O ATOM 772 CB ALA A 52 62.669 7.936 0.871 1.00 0.00 C ATOM 0 H ALA A 52 63.604 6.234 2.556 1.00 0.00 H new ATOM 0 HA ALA A 52 64.779 7.803 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 52 62.496 8.881 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.360 7.111 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 52 62.089 7.915 1.793 1.00 0.00 H new ATOM 778 N SER A 53 65.320 8.766 3.127 1.00 0.00 N ATOM 779 CA SER A 53 65.753 9.877 4.016 1.00 0.00 C ATOM 780 C SER A 53 67.287 9.819 4.108 1.00 0.00 C ATOM 781 O SER A 53 67.973 10.753 3.728 1.00 0.00 O ATOM 782 CB SER A 53 65.050 9.657 5.356 1.00 0.00 C ATOM 783 OG SER A 53 65.441 10.665 6.286 1.00 0.00 O ATOM 0 H SER A 53 65.644 7.842 3.411 1.00 0.00 H new ATOM 0 HA SER A 53 65.489 10.871 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 53 63.969 9.680 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 53 65.300 8.672 5.749 1.00 0.00 H new ATOM 0 HG SER A 53 64.984 10.517 7.140 1.00 0.00 H new ATOM 789 N LEU A 54 67.815 8.692 4.527 1.00 0.00 N ATOM 790 CA LEU A 54 69.291 8.473 4.576 1.00 0.00 C ATOM 791 C LEU A 54 69.740 7.773 3.268 1.00 0.00 C ATOM 792 O LEU A 54 70.825 8.023 2.774 1.00 0.00 O ATOM 793 CB LEU A 54 69.622 7.559 5.764 1.00 0.00 C ATOM 794 CG LEU A 54 69.447 8.315 7.085 1.00 0.00 C ATOM 795 CD1 LEU A 54 69.616 7.339 8.245 1.00 0.00 C ATOM 796 CD2 LEU A 54 70.502 9.416 7.196 1.00 0.00 C ATOM 0 H LEU A 54 67.265 7.894 4.845 1.00 0.00 H new ATOM 0 HA LEU A 54 69.804 9.429 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 54 68.972 6.684 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 54 70.646 7.197 5.678 1.00 0.00 H new ATOM 0 HG LEU A 54 68.454 8.763 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 54 69.493 7.871 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 54 68.865 6.552 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 54 70.611 6.896 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 54 70.373 9.950 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 54 71.497 8.971 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 54 70.390 10.113 6.365 1.00 0.00 H new ATOM 808 N ARG A 55 68.905 6.870 2.730 1.00 0.00 N ATOM 809 CA ARG A 55 69.204 6.082 1.470 1.00 0.00 C ATOM 810 C ARG A 55 70.270 4.983 1.702 1.00 0.00 C ATOM 811 O ARG A 55 70.381 4.086 0.882 1.00 0.00 O ATOM 812 CB ARG A 55 69.637 7.017 0.319 1.00 0.00 C ATOM 813 CG ARG A 55 68.723 8.253 0.269 1.00 0.00 C ATOM 814 CD ARG A 55 68.645 8.802 -1.159 1.00 0.00 C ATOM 815 NE ARG A 55 69.749 9.798 -1.367 1.00 0.00 N ATOM 816 CZ ARG A 55 69.997 10.269 -2.551 1.00 0.00 C ATOM 817 NH1 ARG A 55 70.822 9.652 -3.336 1.00 0.00 N ATOM 818 NH2 ARG A 55 69.412 11.360 -2.941 1.00 0.00 N ATOM 0 H ARG A 55 67.997 6.648 3.138 1.00 0.00 H new ATOM 0 HA ARG A 55 68.277 5.583 1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 55 70.672 7.326 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 55 69.592 6.483 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.725 7.990 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 55 69.104 9.022 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 55 68.733 7.989 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.677 9.274 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 55 70.308 10.107 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.278 8.795 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.016 10.024 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 55 68.763 11.841 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 55 69.602 11.736 -3.870 1.00 0.00 H new ATOM 832 N LYS A 56 71.028 5.026 2.807 1.00 0.00 N ATOM 833 CA LYS A 56 72.090 3.997 3.139 1.00 0.00 C ATOM 834 C LYS A 56 73.257 4.017 2.109 1.00 0.00 C ATOM 835 O LYS A 56 74.402 4.223 2.479 1.00 0.00 O ATOM 836 CB LYS A 56 71.443 2.604 3.245 1.00 0.00 C ATOM 837 CG LYS A 56 70.492 2.579 4.456 1.00 0.00 C ATOM 838 CD LYS A 56 69.245 1.748 4.129 1.00 0.00 C ATOM 839 CE LYS A 56 68.569 1.281 5.430 1.00 0.00 C ATOM 840 NZ LYS A 56 67.115 1.625 5.403 1.00 0.00 N ATOM 0 H LYS A 56 70.943 5.761 3.509 1.00 0.00 H new ATOM 0 HA LYS A 56 72.531 4.250 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 70.894 2.374 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 56 72.212 1.840 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 56 71.003 2.157 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 70.202 3.596 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 56 68.547 2.342 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 56 69.521 0.885 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 56 68.694 0.205 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 56 69.047 1.754 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 66.656 1.261 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 67.003 2.658 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 66.672 1.195 4.566 1.00 0.00 H new ATOM 854 N LYS A 57 72.970 3.811 0.839 1.00 0.00 N ATOM 855 CA LYS A 57 74.016 3.830 -0.249 1.00 0.00 C ATOM 856 C LYS A 57 73.289 3.811 -1.614 1.00 0.00 C ATOM 857 O LYS A 57 73.189 2.788 -2.275 1.00 0.00 O ATOM 858 CB LYS A 57 74.992 2.632 -0.116 1.00 0.00 C ATOM 859 CG LYS A 57 74.242 1.293 0.086 1.00 0.00 C ATOM 860 CD LYS A 57 74.242 0.874 1.571 1.00 0.00 C ATOM 861 CE LYS A 57 75.680 0.743 2.109 1.00 0.00 C ATOM 862 NZ LYS A 57 75.935 1.813 3.129 1.00 0.00 N ATOM 0 H LYS A 57 72.026 3.625 0.501 1.00 0.00 H new ATOM 0 HA LYS A 57 74.620 4.733 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 75.612 2.569 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.663 2.803 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 57 73.215 1.391 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 57 74.713 0.515 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 57 73.695 1.610 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 57 73.720 -0.076 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 57 75.824 -0.241 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 57 76.395 0.829 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 76.946 2.056 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 75.377 2.658 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 75.659 1.468 4.070 1.00 0.00 H new ATOM 876 N ASN A 58 72.737 4.943 -2.012 1.00 0.00 N ATOM 877 CA ASN A 58 71.966 5.014 -3.294 1.00 0.00 C ATOM 878 C ASN A 58 72.467 6.171 -4.177 1.00 0.00 C ATOM 879 O ASN A 58 72.233 7.333 -3.888 1.00 0.00 O ATOM 880 CB ASN A 58 70.478 5.211 -2.954 1.00 0.00 C ATOM 881 CG ASN A 58 69.707 3.913 -3.170 1.00 0.00 C ATOM 882 OD1 ASN A 58 68.716 3.905 -3.857 1.00 0.00 O ATOM 883 ND2 ASN A 58 70.104 2.811 -2.604 1.00 0.00 N ATOM 0 H ASN A 58 72.791 5.822 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 58 72.107 4.089 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 58 70.375 5.535 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 58 70.057 6.000 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 58 69.578 1.948 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 58 70.941 2.810 -2.021 1.00 0.00 H new ATOM 1057 N GLY A 68 62.056 6.955 -10.004 1.00 0.00 N ATOM 1058 CA GLY A 68 61.827 8.218 -9.221 1.00 0.00 C ATOM 1059 C GLY A 68 63.170 8.889 -8.899 1.00 0.00 C ATOM 1060 O GLY A 68 63.920 9.225 -9.795 1.00 0.00 O ATOM 0 HA2 GLY A 68 61.198 8.901 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.294 7.991 -8.298 1.00 0.00 H new ATOM 1064 N ARG A 69 63.467 9.083 -7.624 1.00 0.00 N ATOM 1065 CA ARG A 69 64.767 9.741 -7.202 1.00 0.00 C ATOM 1066 C ARG A 69 65.014 9.611 -5.677 1.00 0.00 C ATOM 1067 O ARG A 69 66.147 9.455 -5.252 1.00 0.00 O ATOM 1068 CB ARG A 69 64.723 11.235 -7.569 1.00 0.00 C ATOM 1069 CG ARG A 69 65.704 11.498 -8.710 1.00 0.00 C ATOM 1070 CD ARG A 69 65.288 12.762 -9.481 1.00 0.00 C ATOM 1071 NE ARG A 69 64.967 12.434 -10.922 1.00 0.00 N ATOM 1072 CZ ARG A 69 65.728 11.652 -11.634 1.00 0.00 C ATOM 1073 NH1 ARG A 69 66.783 12.134 -12.213 1.00 0.00 N ATOM 1074 NH2 ARG A 69 65.424 10.400 -11.757 1.00 0.00 N ATOM 0 H ARG A 69 62.861 8.812 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 69 65.579 9.235 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.714 11.519 -7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 69 64.982 11.843 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 69 66.712 11.619 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 69 65.728 10.642 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.418 13.214 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 69 66.091 13.498 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 69 64.132 12.836 -11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 69 67.015 13.122 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 69 67.381 11.525 -12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 69 64.592 10.030 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 69 66.016 9.784 -12.313 1.00 0.00 H new ATOM 1088 N GLN A 70 63.974 9.710 -4.860 1.00 0.00 N ATOM 1089 CA GLN A 70 64.116 9.630 -3.380 1.00 0.00 C ATOM 1090 C GLN A 70 63.934 8.123 -2.913 1.00 0.00 C ATOM 1091 O GLN A 70 63.234 7.841 -1.972 1.00 0.00 O ATOM 1092 CB GLN A 70 63.047 10.614 -2.828 1.00 0.00 C ATOM 1093 CG GLN A 70 62.687 10.337 -1.376 1.00 0.00 C ATOM 1094 CD GLN A 70 62.199 11.618 -0.690 1.00 0.00 C ATOM 1095 OE1 GLN A 70 61.277 12.255 -1.150 1.00 0.00 O ATOM 1096 NE2 GLN A 70 62.773 12.025 0.399 1.00 0.00 N ATOM 0 H GLN A 70 63.015 9.846 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 70 65.098 9.917 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 70 63.418 11.635 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 70 62.147 10.547 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 70 61.911 9.573 -1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 70 63.556 9.943 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 70 63.550 11.496 0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 70 62.447 12.874 0.860 1.00 0.00 H new ATOM 1105 N PRO A 71 64.596 7.183 -3.628 1.00 0.00 N ATOM 1106 CA PRO A 71 64.459 5.706 -3.339 1.00 0.00 C ATOM 1107 C PRO A 71 63.076 5.043 -3.639 1.00 0.00 C ATOM 1108 O PRO A 71 62.633 5.079 -4.775 1.00 0.00 O ATOM 1109 CB PRO A 71 64.948 5.595 -1.912 1.00 0.00 C ATOM 1110 CG PRO A 71 66.203 6.491 -1.922 1.00 0.00 C ATOM 1111 CD PRO A 71 65.939 7.568 -3.008 1.00 0.00 C ATOM 0 HA PRO A 71 65.046 5.109 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 71 64.203 5.947 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 71 65.186 4.566 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 71 66.365 6.950 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 71 67.096 5.911 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 71 65.901 8.567 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 71 66.731 7.576 -3.756 1.00 0.00 H new ATOM 1119 N GLN A 72 62.439 4.364 -2.678 1.00 0.00 N ATOM 1120 CA GLN A 72 61.138 3.630 -2.978 1.00 0.00 C ATOM 1121 C GLN A 72 59.910 4.423 -2.522 1.00 0.00 C ATOM 1122 O GLN A 72 59.118 4.771 -3.356 1.00 0.00 O ATOM 1123 CB GLN A 72 61.144 2.238 -2.318 1.00 0.00 C ATOM 1124 CG GLN A 72 62.486 1.528 -2.573 1.00 0.00 C ATOM 1125 CD GLN A 72 62.826 1.418 -4.070 1.00 0.00 C ATOM 1126 OE1 GLN A 72 63.969 1.582 -4.439 1.00 0.00 O ATOM 1127 NE2 GLN A 72 61.911 1.147 -4.949 1.00 0.00 N ATOM 0 H GLN A 72 62.762 4.289 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 72 61.073 3.517 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 72 60.976 2.336 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 72 60.326 1.637 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 72 63.282 2.071 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 72 62.452 0.529 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 72 60.945 1.007 -4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 72 62.158 1.074 -5.936 1.00 0.00 H new ATOM 1136 N TYR A 73 59.782 4.738 -1.214 1.00 0.00 N ATOM 1137 CA TYR A 73 58.620 5.567 -0.616 1.00 0.00 C ATOM 1138 C TYR A 73 57.192 5.110 -1.053 1.00 0.00 C ATOM 1139 O TYR A 73 56.402 4.708 -0.212 1.00 0.00 O ATOM 1140 CB TYR A 73 58.826 7.078 -0.871 1.00 0.00 C ATOM 1141 CG TYR A 73 59.340 7.361 -2.254 1.00 0.00 C ATOM 1142 CD1 TYR A 73 60.682 7.179 -2.548 1.00 0.00 C ATOM 1143 CD2 TYR A 73 58.475 7.807 -3.231 1.00 0.00 C ATOM 1144 CE1 TYR A 73 61.153 7.443 -3.831 1.00 0.00 C ATOM 1145 CE2 TYR A 73 58.949 8.079 -4.514 1.00 0.00 C ATOM 1146 CZ TYR A 73 60.293 7.895 -4.812 1.00 0.00 C ATOM 1147 OH TYR A 73 60.772 8.154 -6.075 1.00 0.00 O ATOM 0 H TYR A 73 60.461 4.443 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 73 58.659 5.375 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 73 57.881 7.601 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 73 59.528 7.475 -0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 73 61.361 6.833 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 73 57.429 7.946 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 73 62.198 7.293 -4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 73 58.271 8.433 -5.276 1.00 0.00 H new ATOM 0 HH TYR A 73 60.350 8.966 -6.425 1.00 0.00 H new ATOM 1157 N LEU A 74 56.874 5.140 -2.328 1.00 0.00 N ATOM 1158 CA LEU A 74 55.544 4.661 -2.838 1.00 0.00 C ATOM 1159 C LEU A 74 55.720 4.049 -4.263 1.00 0.00 C ATOM 1160 O LEU A 74 54.806 4.054 -5.076 1.00 0.00 O ATOM 1161 CB LEU A 74 54.537 5.825 -2.861 1.00 0.00 C ATOM 1162 CG LEU A 74 53.110 5.269 -2.755 1.00 0.00 C ATOM 1163 CD1 LEU A 74 52.808 4.860 -1.310 1.00 0.00 C ATOM 1164 CD2 LEU A 74 52.117 6.341 -3.197 1.00 0.00 C ATOM 0 H LEU A 74 57.498 5.486 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 74 55.156 3.890 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 74 54.735 6.508 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 74 54.648 6.398 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 74 53.020 4.393 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 74 51.793 4.467 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 74 53.514 4.092 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 74 52.901 5.729 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 74 51.102 5.950 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 74 52.216 7.216 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 74 52.322 6.624 -4.229 1.00 0.00 H new ATOM 1176 N LEU A 75 56.897 3.515 -4.546 1.00 0.00 N ATOM 1177 CA LEU A 75 57.196 2.881 -5.889 1.00 0.00 C ATOM 1178 C LEU A 75 58.451 1.957 -5.805 1.00 0.00 C ATOM 1179 O LEU A 75 59.068 1.884 -4.749 1.00 0.00 O ATOM 1180 CB LEU A 75 57.407 3.978 -6.971 1.00 0.00 C ATOM 1181 CG LEU A 75 58.273 5.147 -6.454 1.00 0.00 C ATOM 1182 CD1 LEU A 75 59.760 4.797 -6.564 1.00 0.00 C ATOM 1183 CD2 LEU A 75 57.984 6.389 -7.297 1.00 0.00 C ATOM 1184 OXT LEU A 75 58.770 1.325 -6.804 1.00 0.00 O ATOM 0 H LEU A 75 57.678 3.491 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 75 56.340 2.268 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 57.882 3.536 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 75 56.438 4.360 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 75 58.032 5.336 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 75 60.358 5.631 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 75 59.970 3.909 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 75 60.012 4.602 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 75 58.591 7.221 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 75 58.226 6.185 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 75 56.929 6.648 -7.213 1.00 0.00 H new