USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 49 GLN : amide:sc= -2.37! C(o=-4.5!,f=-4.8!) USER MOD Set 1.2: A 80 HIS : no HE2:sc= -2.13 K(o=-4.5,f=-2.6!) USER MOD Set 2.1: A 67 SER OG : rot -175:sc= 0 USER MOD Set 2.2: A 69 LYS NZ :NH3+ -154:sc= -0.241 (180deg=-1.61!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -149:sc= 2.28 (180deg=0.405) USER MOD Set 3.2: A 62 THR OG1 : rot -44:sc= 1.07 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -169:sc= 1.41 (180deg=0.035) USER MOD Set 4.2: A 22 TYR OH : rot -140:sc= 1.01 USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= -0.0737 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 5 TYR OH : rot -130:sc= -1.34 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.821 K(o=-0.82,f=-9.1!) USER MOD Single : A 18 MET CE :methyl 164:sc= -0.081 (180deg=-0.458) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -145:sc= -1.47 (180deg=-5.21) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 29 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -173:sc= -1.06 (180deg=-1.31) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.18) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -15.327 -0.369 -5.759 1.00 0.00 N ATOM 33 CA GLU A 3 -14.016 0.132 -5.442 1.00 0.00 C ATOM 34 C GLU A 3 -13.443 -0.656 -4.322 1.00 0.00 C ATOM 35 O GLU A 3 -13.382 -0.213 -3.185 1.00 0.00 O ATOM 36 CB GLU A 3 -13.992 1.619 -5.142 1.00 0.00 C ATOM 37 CG GLU A 3 -14.227 2.475 -6.351 1.00 0.00 C ATOM 38 CD GLU A 3 -14.304 3.931 -6.011 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.287 4.504 -5.559 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.385 4.529 -6.140 1.00 0.00 O ATOM 0 HA GLU A 3 -13.397 0.009 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.752 1.843 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.028 1.878 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.423 2.314 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.154 2.168 -6.836 1.00 0.00 H new ATOM 47 N VAL A 4 -13.099 -1.850 -4.634 1.00 0.00 N ATOM 48 CA VAL A 4 -12.543 -2.775 -3.678 1.00 0.00 C ATOM 49 C VAL A 4 -11.316 -3.434 -4.246 1.00 0.00 C ATOM 50 O VAL A 4 -11.214 -3.658 -5.467 1.00 0.00 O ATOM 51 CB VAL A 4 -13.564 -3.872 -3.224 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.753 -3.256 -2.505 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.038 -4.717 -4.405 1.00 0.00 C ATOM 0 H VAL A 4 -13.192 -2.233 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.282 -2.191 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.042 -4.526 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.443 -4.044 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.406 -2.719 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.264 -2.563 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.745 -5.468 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.525 -4.075 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.182 -5.211 -4.865 1.00 0.00 H new ATOM 63 N TYR A 5 -10.378 -3.673 -3.398 1.00 0.00 N ATOM 64 CA TYR A 5 -9.169 -4.355 -3.782 1.00 0.00 C ATOM 65 C TYR A 5 -8.909 -5.583 -2.915 1.00 0.00 C ATOM 66 O TYR A 5 -9.168 -5.570 -1.716 1.00 0.00 O ATOM 67 CB TYR A 5 -7.962 -3.386 -3.727 1.00 0.00 C ATOM 68 CG TYR A 5 -7.735 -2.710 -2.381 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.313 -3.435 -1.286 1.00 0.00 C ATOM 70 CD2 TYR A 5 -7.928 -1.354 -2.216 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.100 -2.856 -0.077 1.00 0.00 C ATOM 72 CE2 TYR A 5 -7.712 -0.759 -0.994 1.00 0.00 C ATOM 73 CZ TYR A 5 -7.296 -1.526 0.072 1.00 0.00 C ATOM 74 OH TYR A 5 -7.089 -0.956 1.301 1.00 0.00 O ATOM 0 H TYR A 5 -10.417 -3.405 -2.415 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.299 -4.702 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.061 -3.938 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.101 -2.615 -4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.147 -4.497 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.252 -0.754 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.776 -3.454 0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.868 0.303 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.864 -0.407 1.542 1.00 0.00 H new ATOM 84 N ASP A 6 -8.456 -6.644 -3.528 1.00 0.00 N ATOM 85 CA ASP A 6 -7.930 -7.777 -2.791 1.00 0.00 C ATOM 86 C ASP A 6 -6.447 -7.711 -2.894 1.00 0.00 C ATOM 87 O ASP A 6 -5.878 -7.808 -3.995 1.00 0.00 O ATOM 88 CB ASP A 6 -8.383 -9.134 -3.321 1.00 0.00 C ATOM 89 CG ASP A 6 -9.850 -9.457 -3.112 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.193 -10.041 -2.055 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.666 -9.186 -4.010 1.00 0.00 O ATOM 0 H ASP A 6 -8.438 -6.754 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.302 -7.706 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.167 -9.179 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.786 -9.910 -2.842 1.00 0.00 H new ATOM 96 N LEU A 7 -5.827 -7.530 -1.802 1.00 0.00 N ATOM 97 CA LEU A 7 -4.408 -7.401 -1.744 1.00 0.00 C ATOM 98 C LEU A 7 -3.793 -8.581 -1.093 1.00 0.00 C ATOM 99 O LEU A 7 -4.436 -9.284 -0.310 1.00 0.00 O ATOM 100 CB LEU A 7 -3.998 -6.172 -0.949 1.00 0.00 C ATOM 101 CG LEU A 7 -4.293 -4.811 -1.540 1.00 0.00 C ATOM 102 CD1 LEU A 7 -3.857 -3.733 -0.572 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.591 -4.635 -2.873 1.00 0.00 C ATOM 0 H LEU A 7 -6.289 -7.464 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.061 -7.313 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.486 -6.226 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.924 -6.233 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.366 -4.730 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.070 -2.753 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.400 -3.846 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.787 -3.823 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.819 -3.649 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.514 -4.729 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.934 -5.400 -3.569 1.00 0.00 H new ATOM 115 N GLU A 8 -2.560 -8.799 -1.416 1.00 0.00 N ATOM 116 CA GLU A 8 -1.781 -9.761 -0.740 1.00 0.00 C ATOM 117 C GLU A 8 -0.784 -8.978 0.058 1.00 0.00 C ATOM 118 O GLU A 8 0.056 -8.263 -0.488 1.00 0.00 O ATOM 119 CB GLU A 8 -1.088 -10.696 -1.715 1.00 0.00 C ATOM 120 CG GLU A 8 -0.234 -11.751 -1.043 1.00 0.00 C ATOM 121 CD GLU A 8 0.429 -12.681 -2.019 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.519 -12.353 -2.520 1.00 0.00 O ATOM 123 OE2 GLU A 8 -0.118 -13.763 -2.290 1.00 0.00 O ATOM 0 H GLU A 8 -2.070 -8.307 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.396 -10.397 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.841 -11.188 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.462 -10.108 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.531 -11.261 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.854 -12.332 -0.361 1.00 0.00 H new ATOM 130 N ILE A 9 -0.912 -9.066 1.324 1.00 0.00 N ATOM 131 CA ILE A 9 -0.114 -8.302 2.229 1.00 0.00 C ATOM 132 C ILE A 9 1.022 -9.151 2.721 1.00 0.00 C ATOM 133 O ILE A 9 0.851 -10.339 2.974 1.00 0.00 O ATOM 134 CB ILE A 9 -0.952 -7.840 3.463 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.217 -7.067 3.034 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.111 -7.006 4.429 1.00 0.00 C ATOM 137 CD1 ILE A 9 -1.947 -5.815 2.225 1.00 0.00 C ATOM 0 H ILE A 9 -1.585 -9.681 1.781 1.00 0.00 H new ATOM 0 HA ILE A 9 0.256 -7.423 1.700 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.273 -8.741 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.852 -7.732 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.779 -6.793 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.725 -6.701 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.730 -7.601 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.263 -6.121 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.892 -5.337 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.340 -5.126 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.414 -6.080 1.312 1.00 0.00 H new ATOM 149 N THR A 10 2.167 -8.573 2.811 1.00 0.00 N ATOM 150 CA THR A 10 3.286 -9.230 3.386 1.00 0.00 C ATOM 151 C THR A 10 3.954 -8.204 4.292 1.00 0.00 C ATOM 152 O THR A 10 3.744 -7.004 4.132 1.00 0.00 O ATOM 153 CB THR A 10 4.284 -9.691 2.328 1.00 0.00 C ATOM 154 OG1 THR A 10 3.569 -10.089 1.148 1.00 0.00 O ATOM 155 CG2 THR A 10 5.042 -10.918 2.828 1.00 0.00 C ATOM 0 H THR A 10 2.355 -7.625 2.486 1.00 0.00 H new ATOM 0 HA THR A 10 2.961 -10.121 3.924 1.00 0.00 H new ATOM 0 HB THR A 10 4.973 -8.873 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.205 -10.385 0.464 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.753 -11.242 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.579 -10.666 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.336 -11.724 3.031 1.00 0.00 H new ATOM 163 N THR A 11 4.739 -8.657 5.185 1.00 0.00 N ATOM 164 CA THR A 11 5.331 -7.833 6.201 1.00 0.00 C ATOM 165 C THR A 11 6.598 -8.529 6.606 1.00 0.00 C ATOM 166 O THR A 11 6.788 -9.704 6.281 1.00 0.00 O ATOM 167 CB THR A 11 4.431 -7.749 7.466 1.00 0.00 C ATOM 168 OG1 THR A 11 3.060 -7.603 7.097 1.00 0.00 O ATOM 169 CG2 THR A 11 4.803 -6.557 8.349 1.00 0.00 C ATOM 0 H THR A 11 5.007 -9.639 5.246 1.00 0.00 H new ATOM 0 HA THR A 11 5.482 -6.825 5.816 1.00 0.00 H new ATOM 0 HB THR A 11 4.586 -8.675 8.020 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.507 -7.553 7.905 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.151 -6.534 9.222 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.839 -6.653 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.684 -5.633 7.783 1.00 0.00 H new ATOM 177 N ASN A 12 7.424 -7.859 7.312 1.00 0.00 N ATOM 178 CA ASN A 12 8.647 -8.428 7.782 1.00 0.00 C ATOM 179 C ASN A 12 8.379 -9.237 9.036 1.00 0.00 C ATOM 180 O ASN A 12 9.097 -10.169 9.358 1.00 0.00 O ATOM 181 CB ASN A 12 9.691 -7.342 8.047 1.00 0.00 C ATOM 182 CG ASN A 12 9.328 -6.328 9.134 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.158 -5.998 9.342 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.331 -5.820 9.819 1.00 0.00 N ATOM 0 H ASN A 12 7.278 -6.888 7.589 1.00 0.00 H new ATOM 0 HA ASN A 12 9.049 -9.087 7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.629 -7.824 8.323 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.872 -6.802 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.153 -5.130 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.286 -6.116 9.620 1.00 0.00 H new ATOM 191 N ALA A 13 7.312 -8.883 9.720 1.00 0.00 N ATOM 192 CA ALA A 13 6.917 -9.557 10.923 1.00 0.00 C ATOM 193 C ALA A 13 5.974 -10.728 10.625 1.00 0.00 C ATOM 194 O ALA A 13 5.518 -11.420 11.530 1.00 0.00 O ATOM 195 CB ALA A 13 6.283 -8.568 11.880 1.00 0.00 C ATOM 0 H ALA A 13 6.696 -8.116 9.450 1.00 0.00 H new ATOM 0 HA ALA A 13 7.806 -9.977 11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.985 -9.085 12.792 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.002 -7.786 12.124 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.406 -8.121 11.413 1.00 0.00 H new ATOM 201 N THR A 14 5.695 -10.943 9.356 1.00 0.00 N ATOM 202 CA THR A 14 4.853 -12.041 8.936 1.00 0.00 C ATOM 203 C THR A 14 5.666 -12.973 8.062 1.00 0.00 C ATOM 204 O THR A 14 6.486 -12.511 7.262 1.00 0.00 O ATOM 205 CB THR A 14 3.634 -11.544 8.132 1.00 0.00 C ATOM 206 OG1 THR A 14 4.091 -10.780 7.009 1.00 0.00 O ATOM 207 CG2 THR A 14 2.714 -10.686 8.994 1.00 0.00 C ATOM 0 H THR A 14 6.044 -10.365 8.592 1.00 0.00 H new ATOM 0 HA THR A 14 4.491 -12.555 9.826 1.00 0.00 H new ATOM 0 HB THR A 14 3.067 -12.411 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.320 -10.463 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.865 -10.351 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.355 -11.273 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.263 -9.819 9.361 1.00 0.00 H new ATOM 215 N ASP A 15 5.457 -14.245 8.201 1.00 0.00 N ATOM 216 CA ASP A 15 6.174 -15.214 7.390 1.00 0.00 C ATOM 217 C ASP A 15 5.411 -15.452 6.124 1.00 0.00 C ATOM 218 O ASP A 15 5.962 -15.417 5.022 1.00 0.00 O ATOM 219 CB ASP A 15 6.355 -16.549 8.123 1.00 0.00 C ATOM 220 CG ASP A 15 7.097 -16.428 9.422 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.310 -16.154 9.408 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.479 -16.625 10.487 1.00 0.00 O ATOM 0 H ASP A 15 4.798 -14.650 8.866 1.00 0.00 H new ATOM 0 HA ASP A 15 7.163 -14.809 7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.374 -16.984 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.890 -17.241 7.472 1.00 0.00 H new ATOM 227 N PHE A 16 4.133 -15.659 6.282 1.00 0.00 N ATOM 228 CA PHE A 16 3.269 -15.964 5.181 1.00 0.00 C ATOM 229 C PHE A 16 2.417 -14.762 4.813 1.00 0.00 C ATOM 230 O PHE A 16 1.951 -14.035 5.697 1.00 0.00 O ATOM 231 CB PHE A 16 2.375 -17.171 5.512 1.00 0.00 C ATOM 232 CG PHE A 16 3.145 -18.434 5.773 1.00 0.00 C ATOM 233 CD1 PHE A 16 3.607 -19.205 4.720 1.00 0.00 C ATOM 234 CD2 PHE A 16 3.417 -18.846 7.069 1.00 0.00 C ATOM 235 CE1 PHE A 16 4.322 -20.362 4.950 1.00 0.00 C ATOM 236 CE2 PHE A 16 4.132 -20.001 7.306 1.00 0.00 C ATOM 237 CZ PHE A 16 4.586 -20.761 6.246 1.00 0.00 C ATOM 0 H PHE A 16 3.661 -15.620 7.185 1.00 0.00 H new ATOM 0 HA PHE A 16 3.892 -16.218 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.771 -16.936 6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.685 -17.340 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.405 -18.896 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.065 -18.256 7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.675 -20.955 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.337 -20.311 8.320 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.146 -21.666 6.430 1.00 0.00 H new ATOM 247 N PRO A 17 2.235 -14.510 3.504 1.00 0.00 N ATOM 248 CA PRO A 17 1.388 -13.421 3.017 1.00 0.00 C ATOM 249 C PRO A 17 -0.072 -13.587 3.463 1.00 0.00 C ATOM 250 O PRO A 17 -0.569 -14.713 3.636 1.00 0.00 O ATOM 251 CB PRO A 17 1.494 -13.538 1.491 1.00 0.00 C ATOM 252 CG PRO A 17 2.753 -14.287 1.255 1.00 0.00 C ATOM 253 CD PRO A 17 2.865 -15.250 2.391 1.00 0.00 C ATOM 0 HA PRO A 17 1.704 -12.452 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.636 -14.065 1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.524 -12.555 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.725 -14.810 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.610 -13.614 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.347 -16.186 2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.903 -15.502 2.608 1.00 0.00 H new ATOM 261 N MET A 18 -0.741 -12.480 3.648 1.00 0.00 N ATOM 262 CA MET A 18 -2.114 -12.460 4.102 1.00 0.00 C ATOM 263 C MET A 18 -2.955 -11.685 3.110 1.00 0.00 C ATOM 264 O MET A 18 -2.633 -10.552 2.782 1.00 0.00 O ATOM 265 CB MET A 18 -2.197 -11.801 5.490 1.00 0.00 C ATOM 266 CG MET A 18 -1.392 -12.517 6.571 1.00 0.00 C ATOM 267 SD MET A 18 -1.399 -11.651 8.160 1.00 0.00 S ATOM 268 CE MET A 18 -3.148 -11.632 8.545 1.00 0.00 C ATOM 0 H MET A 18 -0.347 -11.553 3.487 1.00 0.00 H new ATOM 0 HA MET A 18 -2.489 -13.481 4.176 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.846 -10.772 5.413 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.242 -11.759 5.798 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.795 -13.520 6.710 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.362 -12.631 6.232 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.286 -11.396 9.600 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.646 -10.878 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.578 -12.611 8.333 1.00 0.00 H new ATOM 278 N GLU A 19 -4.000 -12.286 2.623 1.00 0.00 N ATOM 279 CA GLU A 19 -4.857 -11.634 1.647 1.00 0.00 C ATOM 280 C GLU A 19 -6.098 -11.107 2.328 1.00 0.00 C ATOM 281 O GLU A 19 -6.760 -11.839 3.079 1.00 0.00 O ATOM 282 CB GLU A 19 -5.231 -12.605 0.544 1.00 0.00 C ATOM 283 CG GLU A 19 -4.035 -13.164 -0.199 1.00 0.00 C ATOM 284 CD GLU A 19 -4.427 -14.189 -1.215 1.00 0.00 C ATOM 285 OE1 GLU A 19 -4.813 -15.301 -0.816 1.00 0.00 O ATOM 286 OE2 GLU A 19 -4.372 -13.907 -2.419 1.00 0.00 O ATOM 0 H GLU A 19 -4.290 -13.230 2.880 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.317 -10.799 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.800 -13.430 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.887 -12.101 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.504 -12.350 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.342 -13.610 0.515 1.00 0.00 H new ATOM 293 N LYS A 20 -6.415 -9.861 2.083 1.00 0.00 N ATOM 294 CA LYS A 20 -7.540 -9.235 2.725 1.00 0.00 C ATOM 295 C LYS A 20 -8.053 -8.125 1.811 1.00 0.00 C ATOM 296 O LYS A 20 -7.255 -7.465 1.129 1.00 0.00 O ATOM 297 CB LYS A 20 -7.065 -8.704 4.071 1.00 0.00 C ATOM 298 CG LYS A 20 -8.146 -8.525 5.112 1.00 0.00 C ATOM 299 CD LYS A 20 -7.496 -8.239 6.447 1.00 0.00 C ATOM 300 CE LYS A 20 -8.481 -8.233 7.611 1.00 0.00 C ATOM 301 NZ LYS A 20 -9.498 -7.183 7.496 1.00 0.00 N ATOM 0 H LYS A 20 -5.905 -9.257 1.438 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.362 -9.930 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.312 -9.385 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.574 -7.744 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.808 -7.706 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.760 -9.423 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.726 -8.987 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.995 -7.272 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.974 -9.204 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.932 -8.099 8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.019 -7.105 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.037 -6.275 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.160 -7.423 6.730 1.00 0.00 H new ATOM 315 N LYS A 21 -9.358 -7.950 1.759 1.00 0.00 N ATOM 316 CA LYS A 21 -9.976 -6.986 0.846 1.00 0.00 C ATOM 317 C LYS A 21 -10.465 -5.740 1.572 1.00 0.00 C ATOM 318 O LYS A 21 -11.083 -5.834 2.622 1.00 0.00 O ATOM 319 CB LYS A 21 -11.146 -7.646 0.094 1.00 0.00 C ATOM 320 CG LYS A 21 -11.884 -6.723 -0.877 1.00 0.00 C ATOM 321 CD LYS A 21 -13.003 -7.443 -1.608 1.00 0.00 C ATOM 322 CE LYS A 21 -14.060 -7.968 -0.653 1.00 0.00 C ATOM 323 NZ LYS A 21 -15.148 -8.654 -1.367 1.00 0.00 N ATOM 0 H LYS A 21 -10.022 -8.463 2.339 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.210 -6.674 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.766 -8.504 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.860 -8.028 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.296 -5.875 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.177 -6.321 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.466 -6.763 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.587 -8.272 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.600 -8.656 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.470 -7.141 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.850 -8.998 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.604 -7.990 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.760 -9.459 -1.899 1.00 0.00 H new ATOM 337 N TYR A 22 -10.196 -4.589 0.995 1.00 0.00 N ATOM 338 CA TYR A 22 -10.632 -3.305 1.536 1.00 0.00 C ATOM 339 C TYR A 22 -11.073 -2.392 0.387 1.00 0.00 C ATOM 340 O TYR A 22 -10.805 -2.700 -0.784 1.00 0.00 O ATOM 341 CB TYR A 22 -9.511 -2.615 2.335 1.00 0.00 C ATOM 342 CG TYR A 22 -9.118 -3.258 3.631 1.00 0.00 C ATOM 343 CD1 TYR A 22 -9.847 -3.012 4.779 1.00 0.00 C ATOM 344 CD2 TYR A 22 -8.005 -4.077 3.719 1.00 0.00 C ATOM 345 CE1 TYR A 22 -9.487 -3.562 5.977 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.639 -4.641 4.921 1.00 0.00 C ATOM 347 CZ TYR A 22 -8.386 -4.376 6.048 1.00 0.00 C ATOM 348 OH TYR A 22 -8.034 -4.928 7.255 1.00 0.00 O ATOM 0 H TYR A 22 -9.664 -4.510 0.128 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.465 -3.490 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.626 -2.558 1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.821 -1.591 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.717 -2.374 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.417 -4.276 2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.067 -3.356 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.774 -5.285 4.980 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.059 -4.911 7.351 1.00 0.00 H new ATOM 358 N PRO A 23 -11.769 -1.269 0.685 1.00 0.00 N ATOM 359 CA PRO A 23 -12.205 -0.318 -0.340 1.00 0.00 C ATOM 360 C PRO A 23 -11.051 0.542 -0.873 1.00 0.00 C ATOM 361 O PRO A 23 -10.167 0.935 -0.127 1.00 0.00 O ATOM 362 CB PRO A 23 -13.202 0.585 0.402 1.00 0.00 C ATOM 363 CG PRO A 23 -13.440 -0.061 1.719 1.00 0.00 C ATOM 364 CD PRO A 23 -12.212 -0.845 2.022 1.00 0.00 C ATOM 0 HA PRO A 23 -12.620 -0.835 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.799 1.590 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.132 0.682 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.626 0.685 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.316 -0.708 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.458 -0.240 2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.423 -1.697 2.669 1.00 0.00 H new ATOM 372 N ALA A 24 -11.083 0.845 -2.158 1.00 0.00 N ATOM 373 CA ALA A 24 -10.059 1.695 -2.787 1.00 0.00 C ATOM 374 C ALA A 24 -10.252 3.183 -2.441 1.00 0.00 C ATOM 375 O ALA A 24 -9.387 4.021 -2.718 1.00 0.00 O ATOM 376 CB ALA A 24 -10.023 1.478 -4.293 1.00 0.00 C ATOM 0 H ALA A 24 -11.806 0.519 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.094 1.397 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.259 2.117 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.790 0.434 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.995 1.727 -4.720 1.00 0.00 H new ATOM 382 N GLY A 25 -11.376 3.499 -1.844 1.00 0.00 N ATOM 383 CA GLY A 25 -11.645 4.866 -1.412 1.00 0.00 C ATOM 384 C GLY A 25 -10.977 5.165 -0.090 1.00 0.00 C ATOM 385 O GLY A 25 -10.850 6.324 0.314 1.00 0.00 O ATOM 0 H GLY A 25 -12.124 2.835 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.289 5.565 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.721 5.016 -1.321 1.00 0.00 H new ATOM 389 N MET A 26 -10.559 4.111 0.559 1.00 0.00 N ATOM 390 CA MET A 26 -9.861 4.144 1.833 1.00 0.00 C ATOM 391 C MET A 26 -8.457 4.749 1.657 1.00 0.00 C ATOM 392 O MET A 26 -7.903 4.739 0.552 1.00 0.00 O ATOM 393 CB MET A 26 -9.784 2.696 2.306 1.00 0.00 C ATOM 394 CG MET A 26 -9.061 2.399 3.587 1.00 0.00 C ATOM 395 SD MET A 26 -9.106 0.624 3.902 1.00 0.00 S ATOM 396 CE MET A 26 -8.145 0.517 5.379 1.00 0.00 C ATOM 0 H MET A 26 -10.697 3.164 0.207 1.00 0.00 H new ATOM 0 HA MET A 26 -10.379 4.765 2.564 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.804 2.326 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.311 2.114 1.515 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.028 2.742 3.523 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.525 2.938 4.413 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.570 -0.409 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.464 1.367 5.433 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.807 0.527 6.245 1.00 0.00 H new ATOM 406 N SER A 27 -7.907 5.284 2.721 1.00 0.00 N ATOM 407 CA SER A 27 -6.586 5.873 2.689 1.00 0.00 C ATOM 408 C SER A 27 -5.539 4.844 2.995 1.00 0.00 C ATOM 409 O SER A 27 -5.804 3.849 3.687 1.00 0.00 O ATOM 410 CB SER A 27 -6.489 7.010 3.698 1.00 0.00 C ATOM 411 OG SER A 27 -6.833 6.569 4.997 1.00 0.00 O ATOM 0 H SER A 27 -8.361 5.324 3.634 1.00 0.00 H new ATOM 0 HA SER A 27 -6.415 6.265 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.475 7.410 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.151 7.823 3.399 1.00 0.00 H new ATOM 0 HG SER A 27 -6.761 7.317 5.626 1.00 0.00 H new ATOM 417 N LEU A 28 -4.343 5.075 2.480 1.00 0.00 N ATOM 418 CA LEU A 28 -3.211 4.208 2.756 1.00 0.00 C ATOM 419 C LEU A 28 -2.928 4.226 4.246 1.00 0.00 C ATOM 420 O LEU A 28 -2.575 3.217 4.833 1.00 0.00 O ATOM 421 CB LEU A 28 -2.003 4.714 1.947 1.00 0.00 C ATOM 422 CG LEU A 28 -0.697 3.860 1.885 1.00 0.00 C ATOM 423 CD1 LEU A 28 0.052 3.861 3.188 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.000 2.433 1.472 1.00 0.00 C ATOM 0 H LEU A 28 -4.131 5.861 1.865 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.422 3.179 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.340 4.868 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.733 5.693 2.344 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.060 4.326 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.951 3.253 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.331 4.883 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.582 3.448 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.073 1.860 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.679 1.981 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.466 2.431 0.487 1.00 0.00 H new ATOM 436 N ASN A 29 -3.136 5.372 4.845 1.00 0.00 N ATOM 437 CA ASN A 29 -2.856 5.547 6.279 1.00 0.00 C ATOM 438 C ASN A 29 -3.786 4.732 7.156 1.00 0.00 C ATOM 439 O ASN A 29 -3.375 4.215 8.200 1.00 0.00 O ATOM 440 CB ASN A 29 -2.847 7.019 6.695 1.00 0.00 C ATOM 441 CG ASN A 29 -1.684 7.787 6.099 1.00 0.00 C ATOM 442 OD1 ASN A 29 -0.610 7.227 5.859 1.00 0.00 O ATOM 443 ND2 ASN A 29 -1.876 9.055 5.852 1.00 0.00 N ATOM 0 H ASN A 29 -3.496 6.204 4.379 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.849 5.161 6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.782 7.486 6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.802 7.085 7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.125 9.615 5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.777 9.485 6.063 1.00 0.00 H new ATOM 450 N ASP A 30 -5.026 4.580 6.726 1.00 0.00 N ATOM 451 CA ASP A 30 -5.991 3.785 7.485 1.00 0.00 C ATOM 452 C ASP A 30 -5.671 2.332 7.296 1.00 0.00 C ATOM 453 O ASP A 30 -5.827 1.534 8.201 1.00 0.00 O ATOM 454 CB ASP A 30 -7.406 4.075 7.017 1.00 0.00 C ATOM 455 CG ASP A 30 -8.461 3.566 7.979 1.00 0.00 C ATOM 456 OD1 ASP A 30 -8.610 4.178 9.058 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.166 2.579 7.672 1.00 0.00 O ATOM 0 H ASP A 30 -5.391 4.989 5.866 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.926 4.045 8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.527 5.151 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.561 3.617 6.040 1.00 0.00 H new ATOM 462 N LEU A 31 -5.174 2.007 6.109 1.00 0.00 N ATOM 463 CA LEU A 31 -4.754 0.643 5.780 1.00 0.00 C ATOM 464 C LEU A 31 -3.610 0.281 6.663 1.00 0.00 C ATOM 465 O LEU A 31 -3.559 -0.813 7.186 1.00 0.00 O ATOM 466 CB LEU A 31 -4.328 0.552 4.320 1.00 0.00 C ATOM 467 CG LEU A 31 -3.904 -0.836 3.810 1.00 0.00 C ATOM 468 CD1 LEU A 31 -5.045 -1.835 3.920 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.399 -0.748 2.377 1.00 0.00 C ATOM 0 H LEU A 31 -5.050 2.675 5.348 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.586 -0.044 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.154 0.904 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.497 1.240 4.164 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.089 -1.192 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.715 -2.806 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.349 -1.926 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.890 -1.489 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.104 -1.740 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.191 -0.363 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.540 -0.079 2.334 1.00 0.00 H new ATOM 481 N LYS A 32 -2.696 1.223 6.832 1.00 0.00 N ATOM 482 CA LYS A 32 -1.581 1.044 7.753 1.00 0.00 C ATOM 483 C LYS A 32 -2.108 0.733 9.118 1.00 0.00 C ATOM 484 O LYS A 32 -1.712 -0.204 9.686 1.00 0.00 O ATOM 485 CB LYS A 32 -0.684 2.273 7.842 1.00 0.00 C ATOM 486 CG LYS A 32 -0.078 2.704 6.536 1.00 0.00 C ATOM 487 CD LYS A 32 0.901 3.868 6.720 1.00 0.00 C ATOM 488 CE LYS A 32 2.084 3.484 7.604 1.00 0.00 C ATOM 489 NZ LYS A 32 3.042 4.594 7.771 1.00 0.00 N ATOM 0 H LYS A 32 -2.703 2.119 6.345 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.978 0.222 7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.265 3.101 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.119 2.069 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.441 1.861 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.870 3.000 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.266 4.192 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.378 4.716 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.718 3.173 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.597 2.627 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.001 4.210 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.016 5.205 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.785 5.151 8.611 1.00 0.00 H new ATOM 503 N LYS A 33 -3.057 1.521 9.599 1.00 0.00 N ATOM 504 CA LYS A 33 -3.655 1.322 10.879 1.00 0.00 C ATOM 505 C LYS A 33 -4.305 -0.061 11.010 1.00 0.00 C ATOM 506 O LYS A 33 -4.239 -0.691 12.068 1.00 0.00 O ATOM 507 CB LYS A 33 -4.650 2.424 11.092 1.00 0.00 C ATOM 508 CG LYS A 33 -4.000 3.718 11.466 1.00 0.00 C ATOM 509 CD LYS A 33 -4.995 4.768 11.870 1.00 0.00 C ATOM 510 CE LYS A 33 -5.921 5.176 10.736 1.00 0.00 C ATOM 511 NZ LYS A 33 -6.882 6.214 11.155 1.00 0.00 N ATOM 0 H LYS A 33 -3.428 2.324 9.092 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.886 1.354 11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.233 2.564 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.348 2.132 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.304 3.547 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.414 4.083 10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.592 4.394 12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.461 5.647 12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.329 5.547 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.465 4.301 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.495 6.464 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.465 5.852 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.364 7.059 11.472 1.00 0.00 H new ATOM 525 N LYS A 34 -4.906 -0.528 9.936 1.00 0.00 N ATOM 526 CA LYS A 34 -5.476 -1.811 9.861 1.00 0.00 C ATOM 527 C LYS A 34 -4.371 -2.890 9.895 1.00 0.00 C ATOM 528 O LYS A 34 -4.507 -3.917 10.557 1.00 0.00 O ATOM 529 CB LYS A 34 -6.279 -1.866 8.572 1.00 0.00 C ATOM 530 CG LYS A 34 -7.523 -0.974 8.526 1.00 0.00 C ATOM 531 CD LYS A 34 -8.496 -1.223 9.679 1.00 0.00 C ATOM 532 CE LYS A 34 -9.012 -2.649 9.712 1.00 0.00 C ATOM 533 NZ LYS A 34 -9.999 -2.847 10.798 1.00 0.00 N ATOM 0 H LYS A 34 -5.002 0.011 9.075 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.128 -2.007 10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.625 -1.588 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.588 -2.897 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.212 0.071 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.042 -1.137 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.999 -0.999 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.339 -0.538 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.471 -2.893 8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.177 -3.336 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.330 -3.833 10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.554 -2.638 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.807 -2.209 10.653 1.00 0.00 H new ATOM 547 N LEU A 35 -3.289 -2.628 9.189 1.00 0.00 N ATOM 548 CA LEU A 35 -2.117 -3.486 9.156 1.00 0.00 C ATOM 549 C LEU A 35 -1.435 -3.495 10.511 1.00 0.00 C ATOM 550 O LEU A 35 -1.022 -4.531 10.998 1.00 0.00 O ATOM 551 CB LEU A 35 -1.161 -2.982 8.069 1.00 0.00 C ATOM 552 CG LEU A 35 -1.656 -3.075 6.622 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.598 -2.568 5.657 1.00 0.00 C ATOM 554 CD2 LEU A 35 -2.068 -4.496 6.277 1.00 0.00 C ATOM 0 H LEU A 35 -3.196 -1.794 8.609 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.415 -4.508 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.923 -1.940 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.230 -3.544 8.147 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.536 -2.439 6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.971 -2.643 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.368 -1.527 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.305 -3.169 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.415 -4.534 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.213 -5.162 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.871 -4.813 6.942 1.00 0.00 H new ATOM 566 N GLU A 36 -1.367 -2.343 11.111 1.00 0.00 N ATOM 567 CA GLU A 36 -0.811 -2.126 12.409 1.00 0.00 C ATOM 568 C GLU A 36 -1.540 -2.896 13.473 1.00 0.00 C ATOM 569 O GLU A 36 -0.961 -3.285 14.469 1.00 0.00 O ATOM 570 CB GLU A 36 -0.765 -0.638 12.694 1.00 0.00 C ATOM 571 CG GLU A 36 0.257 0.091 11.844 1.00 0.00 C ATOM 572 CD GLU A 36 1.655 -0.454 12.013 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.910 -1.607 11.631 1.00 0.00 O ATOM 574 OE2 GLU A 36 2.486 0.257 12.539 1.00 0.00 O ATOM 0 H GLU A 36 -1.717 -1.486 10.683 1.00 0.00 H new ATOM 0 HA GLU A 36 0.209 -2.509 12.424 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.751 -0.208 12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.533 -0.481 13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.032 0.019 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.251 1.149 12.104 1.00 0.00 H new ATOM 581 N LEU A 37 -2.810 -3.106 13.266 1.00 0.00 N ATOM 582 CA LEU A 37 -3.608 -3.916 14.167 1.00 0.00 C ATOM 583 C LEU A 37 -3.159 -5.388 14.091 1.00 0.00 C ATOM 584 O LEU A 37 -3.350 -6.164 15.020 1.00 0.00 O ATOM 585 CB LEU A 37 -5.078 -3.795 13.792 1.00 0.00 C ATOM 586 CG LEU A 37 -6.081 -4.538 14.683 1.00 0.00 C ATOM 587 CD1 LEU A 37 -6.012 -4.041 16.118 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.483 -4.391 14.131 1.00 0.00 C ATOM 0 H LEU A 37 -3.327 -2.726 12.473 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.469 -3.562 15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.343 -2.738 13.791 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.199 -4.155 12.770 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.817 -5.596 14.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.734 -4.585 16.727 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.009 -4.204 16.512 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.244 -2.976 16.146 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.185 -4.923 14.773 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.752 -3.335 14.097 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.524 -4.809 13.125 1.00 0.00 H new ATOM 600 N VAL A 38 -2.589 -5.756 12.966 1.00 0.00 N ATOM 601 CA VAL A 38 -2.067 -7.100 12.757 1.00 0.00 C ATOM 602 C VAL A 38 -0.592 -7.179 13.186 1.00 0.00 C ATOM 603 O VAL A 38 -0.164 -8.151 13.823 1.00 0.00 O ATOM 604 CB VAL A 38 -2.178 -7.513 11.257 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.641 -8.917 11.026 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.611 -7.408 10.775 1.00 0.00 C ATOM 0 H VAL A 38 -2.471 -5.136 12.165 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.663 -7.782 13.364 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.566 -6.821 10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.734 -9.173 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.592 -8.958 11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.212 -9.628 11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.665 -7.701 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.244 -8.068 11.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.957 -6.380 10.883 1.00 0.00 H new ATOM 616 N VAL A 39 0.173 -6.153 12.844 1.00 0.00 N ATOM 617 CA VAL A 39 1.613 -6.141 13.126 1.00 0.00 C ATOM 618 C VAL A 39 1.926 -5.716 14.570 1.00 0.00 C ATOM 619 O VAL A 39 2.940 -6.124 15.142 1.00 0.00 O ATOM 620 CB VAL A 39 2.388 -5.255 12.101 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.893 -5.399 12.276 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.992 -5.609 10.674 1.00 0.00 C ATOM 0 H VAL A 39 -0.172 -5.317 12.372 1.00 0.00 H new ATOM 0 HA VAL A 39 1.959 -7.169 13.015 1.00 0.00 H new ATOM 0 HB VAL A 39 2.118 -4.216 12.293 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.406 -4.770 11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.173 -5.091 13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.179 -6.439 12.122 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.544 -4.979 9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.225 -6.656 10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.922 -5.445 10.542 1.00 0.00 H new ATOM 632 N GLY A 40 1.056 -4.922 15.159 1.00 0.00 N ATOM 633 CA GLY A 40 1.248 -4.487 16.534 1.00 0.00 C ATOM 634 C GLY A 40 2.125 -3.254 16.640 1.00 0.00 C ATOM 635 O GLY A 40 2.405 -2.764 17.748 1.00 0.00 O ATOM 0 H GLY A 40 0.212 -4.564 14.713 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.277 -4.277 16.983 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.697 -5.298 17.108 1.00 0.00 H new ATOM 639 N THR A 41 2.556 -2.754 15.515 1.00 0.00 N ATOM 640 CA THR A 41 3.418 -1.585 15.471 1.00 0.00 C ATOM 641 C THR A 41 2.543 -0.287 15.514 1.00 0.00 C ATOM 642 O THR A 41 1.287 -0.365 15.596 1.00 0.00 O ATOM 643 CB THR A 41 4.258 -1.641 14.160 1.00 0.00 C ATOM 644 OG1 THR A 41 4.764 -2.971 14.007 1.00 0.00 O ATOM 645 CG2 THR A 41 5.461 -0.705 14.210 1.00 0.00 C ATOM 0 H THR A 41 2.325 -3.138 14.599 1.00 0.00 H new ATOM 0 HA THR A 41 4.089 -1.572 16.330 1.00 0.00 H new ATOM 0 HB THR A 41 3.610 -1.341 13.336 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.295 -3.027 13.185 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.017 -0.777 13.275 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.119 0.320 14.350 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.108 -0.988 15.040 1.00 0.00 H new ATOM 653 N THR A 42 3.182 0.876 15.523 1.00 0.00 N ATOM 654 CA THR A 42 2.481 2.121 15.437 1.00 0.00 C ATOM 655 C THR A 42 2.798 2.748 14.054 1.00 0.00 C ATOM 656 O THR A 42 3.878 2.521 13.491 1.00 0.00 O ATOM 657 CB THR A 42 2.884 3.070 16.565 1.00 0.00 C ATOM 658 OG1 THR A 42 2.955 2.331 17.790 1.00 0.00 O ATOM 659 CG2 THR A 42 1.834 4.162 16.748 1.00 0.00 C ATOM 0 H THR A 42 4.196 0.968 15.590 1.00 0.00 H new ATOM 0 HA THR A 42 1.410 1.947 15.541 1.00 0.00 H new ATOM 0 HB THR A 42 3.845 3.519 16.313 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.215 2.931 18.520 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.138 4.828 17.555 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.737 4.732 15.824 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.875 3.707 16.995 1.00 0.00 H new ATOM 667 N VAL A 43 1.920 3.598 13.596 1.00 0.00 N ATOM 668 CA VAL A 43 1.854 4.037 12.184 1.00 0.00 C ATOM 669 C VAL A 43 3.137 4.696 11.634 1.00 0.00 C ATOM 670 O VAL A 43 3.536 4.415 10.495 1.00 0.00 O ATOM 671 CB VAL A 43 0.634 4.972 11.959 1.00 0.00 C ATOM 672 CG1 VAL A 43 0.505 5.398 10.501 1.00 0.00 C ATOM 673 CG2 VAL A 43 -0.640 4.296 12.426 1.00 0.00 C ATOM 0 H VAL A 43 1.207 4.027 14.186 1.00 0.00 H new ATOM 0 HA VAL A 43 1.740 3.115 11.614 1.00 0.00 H new ATOM 0 HB VAL A 43 0.798 5.873 12.550 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.361 6.051 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.405 5.933 10.197 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.378 4.515 9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.487 4.963 12.262 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.790 3.374 11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.561 4.064 13.488 1.00 0.00 H new ATOM 683 N ASP A 44 3.788 5.530 12.410 1.00 0.00 N ATOM 684 CA ASP A 44 4.954 6.228 11.946 1.00 0.00 C ATOM 685 C ASP A 44 6.164 5.313 11.852 1.00 0.00 C ATOM 686 O ASP A 44 7.138 5.623 11.159 1.00 0.00 O ATOM 687 CB ASP A 44 5.248 7.400 12.855 1.00 0.00 C ATOM 688 CG ASP A 44 4.211 8.489 12.805 1.00 0.00 C ATOM 689 OD1 ASP A 44 3.180 8.374 13.504 1.00 0.00 O ATOM 690 OD2 ASP A 44 4.419 9.491 12.093 1.00 0.00 O ATOM 0 H ASP A 44 3.524 5.740 13.373 1.00 0.00 H new ATOM 0 HA ASP A 44 4.746 6.593 10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.332 7.039 13.880 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.216 7.822 12.585 1.00 0.00 H new ATOM 695 N SER A 45 6.092 4.184 12.519 1.00 0.00 N ATOM 696 CA SER A 45 7.149 3.235 12.557 1.00 0.00 C ATOM 697 C SER A 45 6.999 2.196 11.444 1.00 0.00 C ATOM 698 O SER A 45 7.875 1.350 11.237 1.00 0.00 O ATOM 699 CB SER A 45 7.087 2.566 13.894 1.00 0.00 C ATOM 700 OG SER A 45 7.155 3.521 14.941 1.00 0.00 O ATOM 0 H SER A 45 5.272 3.906 13.058 1.00 0.00 H new ATOM 0 HA SER A 45 8.107 3.732 12.406 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.162 1.995 13.977 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.909 1.857 13.989 1.00 0.00 H new ATOM 0 HG SER A 45 7.111 3.062 15.806 1.00 0.00 H new ATOM 706 N MET A 46 5.904 2.271 10.751 1.00 0.00 N ATOM 707 CA MET A 46 5.591 1.341 9.691 1.00 0.00 C ATOM 708 C MET A 46 5.850 1.954 8.323 1.00 0.00 C ATOM 709 O MET A 46 5.322 3.027 7.996 1.00 0.00 O ATOM 710 CB MET A 46 4.139 0.873 9.811 1.00 0.00 C ATOM 711 CG MET A 46 3.685 -0.074 8.710 1.00 0.00 C ATOM 712 SD MET A 46 4.738 -1.523 8.541 1.00 0.00 S ATOM 713 CE MET A 46 4.587 -2.263 10.163 1.00 0.00 C ATOM 0 H MET A 46 5.190 2.984 10.901 1.00 0.00 H new ATOM 0 HA MET A 46 6.247 0.476 9.793 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.009 0.379 10.774 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.488 1.747 9.811 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.664 -0.397 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.664 0.464 7.762 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.281 -3.099 10.247 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.820 -1.520 10.925 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.568 -2.622 10.306 1.00 0.00 H new ATOM 723 N ARG A 47 6.644 1.277 7.539 1.00 0.00 N ATOM 724 CA ARG A 47 7.003 1.710 6.203 1.00 0.00 C ATOM 725 C ARG A 47 6.308 0.773 5.208 1.00 0.00 C ATOM 726 O ARG A 47 6.214 -0.421 5.458 1.00 0.00 O ATOM 727 CB ARG A 47 8.522 1.634 6.082 1.00 0.00 C ATOM 728 CG ARG A 47 9.123 2.098 4.780 1.00 0.00 C ATOM 729 CD ARG A 47 10.637 1.912 4.821 1.00 0.00 C ATOM 730 NE ARG A 47 11.287 2.302 3.571 1.00 0.00 N ATOM 731 CZ ARG A 47 12.601 2.218 3.320 1.00 0.00 C ATOM 732 NH1 ARG A 47 13.445 1.745 4.241 1.00 0.00 N ATOM 733 NH2 ARG A 47 13.059 2.598 2.138 1.00 0.00 N ATOM 0 H ARG A 47 7.071 0.391 7.810 1.00 0.00 H new ATOM 0 HA ARG A 47 6.689 2.733 5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.957 2.226 6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.825 0.600 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.699 1.533 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.880 3.147 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.049 2.502 5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.865 0.868 5.034 1.00 0.00 H new ATOM 0 HE ARG A 47 10.691 2.668 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.092 1.442 5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.443 1.687 4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.414 2.950 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.057 2.539 1.935 1.00 0.00 H new ATOM 747 N ILE A 48 5.809 1.308 4.100 1.00 0.00 N ATOM 748 CA ILE A 48 5.004 0.506 3.169 1.00 0.00 C ATOM 749 C ILE A 48 5.589 0.523 1.745 1.00 0.00 C ATOM 750 O ILE A 48 5.837 1.589 1.187 1.00 0.00 O ATOM 751 CB ILE A 48 3.538 1.057 3.097 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.869 1.099 4.489 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.690 0.235 2.134 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.699 -0.252 5.152 1.00 0.00 C ATOM 0 H ILE A 48 5.942 2.280 3.821 1.00 0.00 H new ATOM 0 HA ILE A 48 5.012 -0.516 3.548 1.00 0.00 H new ATOM 0 HB ILE A 48 3.602 2.079 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.463 1.737 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.889 1.566 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.678 0.639 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.128 0.278 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.657 -0.801 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.221 -0.123 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.077 -0.890 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.676 -0.717 5.287 1.00 0.00 H new ATOM 766 N GLN A 49 5.787 -0.650 1.174 1.00 0.00 N ATOM 767 CA GLN A 49 6.229 -0.793 -0.202 1.00 0.00 C ATOM 768 C GLN A 49 5.133 -1.411 -1.057 1.00 0.00 C ATOM 769 O GLN A 49 4.403 -2.299 -0.594 1.00 0.00 O ATOM 770 CB GLN A 49 7.515 -1.626 -0.351 1.00 0.00 C ATOM 771 CG GLN A 49 8.793 -0.964 0.139 1.00 0.00 C ATOM 772 CD GLN A 49 8.879 -0.798 1.635 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.339 -1.588 2.397 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.538 0.231 2.066 1.00 0.00 N ATOM 0 H GLN A 49 5.645 -1.538 1.655 1.00 0.00 H new ATOM 0 HA GLN A 49 6.454 0.217 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.383 -2.563 0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.641 -1.881 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.645 -1.555 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.881 0.017 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.976 0.870 1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.618 0.402 3.068 1.00 0.00 H new ATOM 783 N LEU A 50 5.009 -0.957 -2.290 1.00 0.00 N ATOM 784 CA LEU A 50 4.001 -1.495 -3.195 1.00 0.00 C ATOM 785 C LEU A 50 4.684 -2.293 -4.284 1.00 0.00 C ATOM 786 O LEU A 50 5.433 -1.739 -5.115 1.00 0.00 O ATOM 787 CB LEU A 50 3.113 -0.354 -3.796 1.00 0.00 C ATOM 788 CG LEU A 50 1.849 -0.742 -4.657 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.036 0.496 -4.967 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.219 -1.389 -5.973 1.00 0.00 C ATOM 0 H LEU A 50 5.589 -0.220 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 50 3.336 -2.154 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.770 0.266 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.755 0.270 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 50 1.278 -1.456 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.165 0.220 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.708 0.958 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.648 1.203 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.312 -1.636 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.825 -0.699 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.787 -2.300 -5.784 1.00 0.00 H new ATOM 802 N PHE A 51 4.445 -3.569 -4.279 1.00 0.00 N ATOM 803 CA PHE A 51 4.956 -4.440 -5.289 1.00 0.00 C ATOM 804 C PHE A 51 3.832 -4.869 -6.193 1.00 0.00 C ATOM 805 O PHE A 51 2.661 -4.930 -5.779 1.00 0.00 O ATOM 806 CB PHE A 51 5.664 -5.661 -4.688 1.00 0.00 C ATOM 807 CG PHE A 51 6.927 -5.331 -3.939 1.00 0.00 C ATOM 808 CD1 PHE A 51 8.138 -5.264 -4.606 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.905 -5.093 -2.576 1.00 0.00 C ATOM 810 CE1 PHE A 51 9.304 -4.967 -3.928 1.00 0.00 C ATOM 811 CE2 PHE A 51 8.070 -4.796 -1.893 1.00 0.00 C ATOM 812 CZ PHE A 51 9.270 -4.733 -2.570 1.00 0.00 C ATOM 0 H PHE A 51 3.885 -4.038 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 51 5.702 -3.894 -5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.976 -6.171 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.902 -6.361 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.172 -5.446 -5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.968 -5.140 -2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.242 -4.918 -4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.040 -4.613 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.181 -4.501 -2.038 1.00 0.00 H new ATOM 822 N ASP A 52 4.163 -5.143 -7.409 1.00 0.00 N ATOM 823 CA ASP A 52 3.188 -5.537 -8.390 1.00 0.00 C ATOM 824 C ASP A 52 2.847 -7.015 -8.241 1.00 0.00 C ATOM 825 O ASP A 52 3.416 -7.731 -7.395 1.00 0.00 O ATOM 826 CB ASP A 52 3.721 -5.192 -9.794 1.00 0.00 C ATOM 827 CG ASP A 52 2.824 -5.531 -10.963 1.00 0.00 C ATOM 828 OD1 ASP A 52 1.989 -4.690 -11.352 1.00 0.00 O ATOM 829 OD2 ASP A 52 2.934 -6.636 -11.500 1.00 0.00 O ATOM 0 H ASP A 52 5.120 -5.102 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 52 2.258 -4.989 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.931 -4.123 -9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.671 -5.708 -9.933 1.00 0.00 H new ATOM 834 N GLY A 53 1.937 -7.452 -9.045 1.00 0.00 N ATOM 835 CA GLY A 53 1.487 -8.816 -9.026 1.00 0.00 C ATOM 836 C GLY A 53 2.553 -9.733 -9.543 1.00 0.00 C ATOM 837 O GLY A 53 2.680 -10.875 -9.086 1.00 0.00 O ATOM 0 H GLY A 53 1.475 -6.871 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.217 -9.101 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.588 -8.916 -9.634 1.00 0.00 H new ATOM 841 N ASP A 54 3.325 -9.238 -10.483 1.00 0.00 N ATOM 842 CA ASP A 54 4.441 -9.982 -11.019 1.00 0.00 C ATOM 843 C ASP A 54 5.621 -9.877 -10.076 1.00 0.00 C ATOM 844 O ASP A 54 6.001 -10.862 -9.418 1.00 0.00 O ATOM 845 CB ASP A 54 4.832 -9.461 -12.409 1.00 0.00 C ATOM 846 CG ASP A 54 6.053 -10.159 -12.971 1.00 0.00 C ATOM 847 OD1 ASP A 54 5.930 -11.303 -13.442 1.00 0.00 O ATOM 848 OD2 ASP A 54 7.156 -9.578 -12.945 1.00 0.00 O ATOM 0 H ASP A 54 3.198 -8.314 -10.895 1.00 0.00 H new ATOM 0 HA ASP A 54 4.146 -11.026 -11.119 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.994 -9.597 -13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.025 -8.390 -12.350 1.00 0.00 H new ATOM 853 N ASP A 55 6.162 -8.680 -9.984 1.00 0.00 N ATOM 854 CA ASP A 55 7.300 -8.357 -9.148 1.00 0.00 C ATOM 855 C ASP A 55 7.580 -6.881 -9.411 1.00 0.00 C ATOM 856 O ASP A 55 6.712 -6.200 -9.989 1.00 0.00 O ATOM 857 CB ASP A 55 8.539 -9.235 -9.523 1.00 0.00 C ATOM 858 CG ASP A 55 9.659 -9.200 -8.478 1.00 0.00 C ATOM 859 OD1 ASP A 55 10.542 -8.323 -8.551 1.00 0.00 O ATOM 860 OD2 ASP A 55 9.655 -10.054 -7.564 1.00 0.00 O ATOM 0 H ASP A 55 5.810 -7.878 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 55 7.098 -8.552 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.214 -10.266 -9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.936 -8.897 -10.480 1.00 0.00 H new ATOM 865 N GLN A 56 8.765 -6.409 -9.040 1.00 0.00 N ATOM 866 CA GLN A 56 9.213 -5.064 -9.173 1.00 0.00 C ATOM 867 C GLN A 56 8.474 -4.102 -8.249 1.00 0.00 C ATOM 868 O GLN A 56 7.262 -4.222 -7.994 1.00 0.00 O ATOM 869 CB GLN A 56 9.137 -4.596 -10.590 1.00 0.00 C ATOM 870 CG GLN A 56 9.837 -5.496 -11.602 1.00 0.00 C ATOM 871 CD GLN A 56 9.624 -5.047 -13.038 1.00 0.00 C ATOM 872 OE1 GLN A 56 9.457 -3.859 -13.321 1.00 0.00 O ATOM 873 NE2 GLN A 56 9.616 -5.979 -13.945 1.00 0.00 N ATOM 0 H GLN A 56 9.470 -7.010 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 56 10.259 -5.063 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.088 -4.505 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.571 -3.598 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.905 -5.514 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.471 -6.516 -11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.757 -6.953 -13.677 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.468 -5.736 -14.925 1.00 0.00 H new ATOM 882 N LEU A 57 9.212 -3.174 -7.745 1.00 0.00 N ATOM 883 CA LEU A 57 8.700 -2.155 -6.883 1.00 0.00 C ATOM 884 C LEU A 57 8.106 -1.062 -7.740 1.00 0.00 C ATOM 885 O LEU A 57 8.786 -0.501 -8.608 1.00 0.00 O ATOM 886 CB LEU A 57 9.822 -1.587 -6.006 1.00 0.00 C ATOM 887 CG LEU A 57 9.414 -0.511 -4.988 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.452 -1.075 -3.955 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.633 0.077 -4.316 1.00 0.00 C ATOM 0 H LEU A 57 10.213 -3.097 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 57 7.936 -2.573 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.284 -2.413 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.587 -1.167 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 57 8.901 0.285 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.179 -0.293 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.555 -1.441 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.931 -1.896 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.322 0.837 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.178 -0.711 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.280 0.530 -5.067 1.00 0.00 H new ATOM 901 N LYS A 58 6.857 -0.772 -7.531 1.00 0.00 N ATOM 902 CA LYS A 58 6.203 0.271 -8.293 1.00 0.00 C ATOM 903 C LYS A 58 6.505 1.604 -7.650 1.00 0.00 C ATOM 904 O LYS A 58 6.805 2.593 -8.323 1.00 0.00 O ATOM 905 CB LYS A 58 4.700 0.041 -8.316 1.00 0.00 C ATOM 906 CG LYS A 58 4.204 -1.294 -8.935 1.00 0.00 C ATOM 907 CD LYS A 58 4.295 -1.394 -10.479 1.00 0.00 C ATOM 908 CE LYS A 58 5.712 -1.397 -11.043 1.00 0.00 C ATOM 909 NZ LYS A 58 5.709 -1.653 -12.499 1.00 0.00 N ATOM 0 H LYS A 58 6.264 -1.236 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 58 6.572 0.259 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.332 0.097 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.239 0.862 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.782 -2.111 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.166 -1.446 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.791 -2.306 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.748 -0.558 -10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.188 -0.438 -10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.305 -2.160 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.686 -1.649 -12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.276 -2.579 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.163 -0.911 -12.981 1.00 0.00 H new ATOM 923 N GLY A 59 6.431 1.618 -6.356 1.00 0.00 N ATOM 924 CA GLY A 59 6.734 2.791 -5.608 1.00 0.00 C ATOM 925 C GLY A 59 6.633 2.519 -4.145 1.00 0.00 C ATOM 926 O GLY A 59 6.169 1.437 -3.740 1.00 0.00 O ATOM 0 H GLY A 59 6.158 0.814 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.739 3.135 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.048 3.592 -5.883 1.00 0.00 H new ATOM 930 N GLU A 60 7.057 3.452 -3.349 1.00 0.00 N ATOM 931 CA GLU A 60 6.985 3.311 -1.941 1.00 0.00 C ATOM 932 C GLU A 60 5.861 4.184 -1.436 1.00 0.00 C ATOM 933 O GLU A 60 5.772 5.374 -1.770 1.00 0.00 O ATOM 934 CB GLU A 60 8.330 3.645 -1.297 1.00 0.00 C ATOM 935 CG GLU A 60 8.377 3.440 0.205 1.00 0.00 C ATOM 936 CD GLU A 60 9.766 3.598 0.752 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.182 4.734 1.046 1.00 0.00 O ATOM 938 OE2 GLU A 60 10.478 2.577 0.898 1.00 0.00 O ATOM 0 H GLU A 60 7.463 4.333 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 60 6.770 2.278 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.102 3.030 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.576 4.684 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.713 4.156 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.003 2.445 0.447 1.00 0.00 H new ATOM 945 N LEU A 61 5.005 3.594 -0.664 1.00 0.00 N ATOM 946 CA LEU A 61 3.818 4.245 -0.189 1.00 0.00 C ATOM 947 C LEU A 61 4.096 4.900 1.158 1.00 0.00 C ATOM 948 O LEU A 61 5.223 5.273 1.416 1.00 0.00 O ATOM 949 CB LEU A 61 2.696 3.207 -0.081 1.00 0.00 C ATOM 950 CG LEU A 61 2.328 2.477 -1.381 1.00 0.00 C ATOM 951 CD1 LEU A 61 1.228 1.466 -1.127 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.899 3.467 -2.460 1.00 0.00 C ATOM 0 H LEU A 61 5.109 2.633 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 61 3.509 5.026 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.986 2.463 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.803 3.704 0.299 1.00 0.00 H new ATOM 0 HG LEU A 61 3.214 1.950 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.979 0.957 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.568 0.735 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.344 1.978 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.644 2.925 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.030 4.027 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.717 4.157 -2.666 1.00 0.00 H new ATOM 964 N THR A 62 3.039 5.003 1.985 1.00 0.00 N ATOM 965 CA THR A 62 2.987 5.654 3.327 1.00 0.00 C ATOM 966 C THR A 62 2.379 7.060 3.219 1.00 0.00 C ATOM 967 O THR A 62 2.271 7.797 4.208 1.00 0.00 O ATOM 968 CB THR A 62 4.332 5.627 4.188 1.00 0.00 C ATOM 969 OG1 THR A 62 3.999 5.802 5.568 1.00 0.00 O ATOM 970 CG2 THR A 62 5.291 6.767 3.820 1.00 0.00 C ATOM 0 H THR A 62 2.134 4.611 1.725 1.00 0.00 H new ATOM 0 HA THR A 62 2.327 5.019 3.918 1.00 0.00 H new ATOM 0 HB THR A 62 4.819 4.673 3.987 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.335 6.517 5.656 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.188 6.701 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.566 6.686 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.801 7.725 3.995 1.00 0.00 H new ATOM 978 N ASP A 63 1.932 7.380 1.999 1.00 0.00 N ATOM 979 CA ASP A 63 1.297 8.650 1.664 1.00 0.00 C ATOM 980 C ASP A 63 0.008 8.813 2.465 1.00 0.00 C ATOM 981 O ASP A 63 -0.051 9.557 3.433 1.00 0.00 O ATOM 982 CB ASP A 63 0.939 8.663 0.164 1.00 0.00 C ATOM 983 CG ASP A 63 2.092 8.283 -0.735 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.369 7.074 -0.869 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.733 9.175 -1.316 1.00 0.00 O ATOM 0 H ASP A 63 2.006 6.746 1.203 1.00 0.00 H new ATOM 0 HA ASP A 63 1.986 9.461 1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.111 7.975 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.589 9.658 -0.109 1.00 0.00 H new ATOM 990 N GLY A 64 -1.030 8.093 2.023 1.00 0.00 N ATOM 991 CA GLY A 64 -2.341 8.055 2.679 1.00 0.00 C ATOM 992 C GLY A 64 -3.069 9.378 2.794 1.00 0.00 C ATOM 993 O GLY A 64 -4.095 9.447 3.457 1.00 0.00 O ATOM 0 H GLY A 64 -0.981 7.512 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.978 7.360 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.211 7.647 3.681 1.00 0.00 H new ATOM 997 N ALA A 65 -2.565 10.419 2.160 1.00 0.00 N ATOM 998 CA ALA A 65 -3.254 11.703 2.174 1.00 0.00 C ATOM 999 C ALA A 65 -4.340 11.697 1.112 1.00 0.00 C ATOM 1000 O ALA A 65 -5.180 12.594 1.041 1.00 0.00 O ATOM 1001 CB ALA A 65 -2.273 12.843 1.944 1.00 0.00 C ATOM 0 H ALA A 65 -1.692 10.407 1.633 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.712 11.857 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.808 13.792 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.520 12.839 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.787 12.715 0.977 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.313 10.657 0.314 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.242 10.433 -0.767 1.00 0.00 C ATOM 1009 C LYS A 66 -5.749 9.007 -0.663 1.00 0.00 C ATOM 1010 O LYS A 66 -5.367 8.283 0.282 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.530 10.645 -2.099 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.253 9.825 -2.239 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.614 9.981 -3.603 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.273 11.424 -3.937 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.722 11.537 -5.293 1.00 0.00 N ATOM 0 H LYS A 66 -3.618 9.916 0.403 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.079 11.129 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.210 10.387 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.288 11.702 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.542 10.130 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.479 8.773 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.706 9.380 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.290 9.588 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.167 12.041 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.552 11.807 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.719 12.535 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.749 11.171 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.307 10.985 -5.953 1.00 0.00 H new ATOM 1029 N SER A 67 -6.558 8.577 -1.606 1.00 0.00 N ATOM 1030 CA SER A 67 -7.085 7.279 -1.549 1.00 0.00 C ATOM 1031 C SER A 67 -6.156 6.294 -2.163 1.00 0.00 C ATOM 1032 O SER A 67 -5.212 6.642 -2.900 1.00 0.00 O ATOM 1033 CB SER A 67 -8.448 7.203 -2.224 1.00 0.00 C ATOM 1034 OG SER A 67 -8.389 7.657 -3.577 1.00 0.00 O ATOM 0 H SER A 67 -6.851 9.127 -2.413 1.00 0.00 H new ATOM 0 HA SER A 67 -7.209 7.028 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.810 6.175 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.165 7.807 -1.668 1.00 0.00 H new ATOM 0 HG SER A 67 -9.292 7.670 -3.957 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.432 5.084 -1.880 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.712 3.972 -2.402 1.00 0.00 C ATOM 1042 C LEU A 68 -5.964 3.812 -3.878 1.00 0.00 C ATOM 1043 O LEU A 68 -5.129 3.296 -4.610 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.070 2.755 -1.596 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.462 2.771 -0.202 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.108 1.765 0.685 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -3.990 2.476 -0.300 1.00 0.00 C ATOM 0 H LEU A 68 -7.193 4.819 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.638 4.131 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.155 2.686 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.733 1.863 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.624 3.759 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.649 1.803 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.172 1.985 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.976 0.769 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.550 2.486 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.845 1.494 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.507 3.233 -0.918 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.101 4.303 -4.312 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.449 4.282 -5.713 1.00 0.00 C ATOM 1061 C LYS A 69 -6.499 5.167 -6.499 1.00 0.00 C ATOM 1062 O LYS A 69 -5.953 4.752 -7.521 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.900 4.734 -5.933 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.274 4.850 -7.403 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.753 5.170 -7.666 1.00 0.00 C ATOM 1066 CE LYS A 69 -11.248 6.496 -7.059 1.00 0.00 C ATOM 1067 NZ LYS A 69 -11.455 6.431 -5.595 1.00 0.00 N ATOM 0 H LYS A 69 -7.806 4.726 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.359 3.256 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.572 4.026 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.051 5.699 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.661 5.628 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.025 3.914 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.918 5.197 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.361 4.357 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.526 7.281 -7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.185 6.779 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.166 7.136 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.787 5.481 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.558 6.630 -5.108 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.273 6.370 -5.993 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.384 7.335 -6.663 1.00 0.00 C ATOM 1083 C ASP A 70 -3.953 6.833 -6.641 1.00 0.00 C ATOM 1084 O ASP A 70 -3.170 7.073 -7.560 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.449 8.688 -5.986 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.748 9.768 -6.800 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.389 10.338 -7.705 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.562 10.060 -6.551 1.00 0.00 O ATOM 0 H ASP A 70 -6.686 6.710 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.719 7.439 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.492 8.968 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.990 8.622 -5.000 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.633 6.111 -5.592 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.306 5.508 -5.433 1.00 0.00 C ATOM 1095 C LEU A 71 -2.117 4.311 -6.363 1.00 0.00 C ATOM 1096 O LEU A 71 -1.009 3.832 -6.544 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.061 5.076 -3.978 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.910 6.190 -2.933 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.766 5.594 -1.549 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.698 7.050 -3.252 1.00 0.00 C ATOM 0 H LEU A 71 -4.273 5.919 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.578 6.273 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.888 4.435 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.158 4.465 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.804 6.813 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.660 6.395 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.651 5.003 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.884 4.955 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.602 7.836 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.199 6.431 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.820 7.500 -4.237 1.00 0.00 H new ATOM 1112 N GLY A 72 -3.192 3.840 -6.947 1.00 0.00 N ATOM 1113 CA GLY A 72 -3.104 2.724 -7.860 1.00 0.00 C ATOM 1114 C GLY A 72 -3.109 1.406 -7.137 1.00 0.00 C ATOM 1115 O GLY A 72 -2.695 0.384 -7.680 1.00 0.00 O ATOM 0 H GLY A 72 -4.133 4.208 -6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.941 2.759 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.193 2.810 -8.452 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.579 1.423 -5.917 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.648 0.234 -5.131 1.00 0.00 C ATOM 1121 C VAL A 73 -4.963 -0.466 -5.414 1.00 0.00 C ATOM 1122 O VAL A 73 -5.994 -0.186 -4.801 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.488 0.515 -3.613 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.518 -0.777 -2.808 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.199 1.275 -3.343 1.00 0.00 C ATOM 0 H VAL A 73 -3.922 2.261 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.814 -0.410 -5.411 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.330 1.131 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.404 -0.548 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.469 -1.284 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.702 -1.425 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.105 1.463 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.349 0.683 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.218 2.225 -3.878 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.933 -1.295 -6.413 1.00 0.00 N ATOM 1136 CA ARG A 74 -6.074 -2.068 -6.803 1.00 0.00 C ATOM 1137 C ARG A 74 -5.847 -3.508 -6.423 1.00 0.00 C ATOM 1138 O ARG A 74 -4.871 -3.830 -5.740 1.00 0.00 O ATOM 1139 CB ARG A 74 -6.323 -1.950 -8.305 1.00 0.00 C ATOM 1140 CG ARG A 74 -6.688 -0.556 -8.774 1.00 0.00 C ATOM 1141 CD ARG A 74 -6.896 -0.529 -10.275 1.00 0.00 C ATOM 1142 NE ARG A 74 -7.323 0.791 -10.747 1.00 0.00 N ATOM 1143 CZ ARG A 74 -7.232 1.219 -12.010 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -6.678 0.451 -12.934 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -7.691 2.415 -12.342 1.00 0.00 N ATOM 0 H ARG A 74 -4.106 -1.456 -6.988 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.955 -1.687 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.428 -2.275 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.125 -2.634 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.596 -0.225 -8.271 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.898 0.143 -8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.969 -0.810 -10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.644 -1.272 -10.551 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.720 1.432 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.319 -0.470 -12.683 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.610 0.780 -13.897 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.116 3.013 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.620 2.739 -13.307 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.724 -4.372 -6.852 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.609 -5.769 -6.532 1.00 0.00 C ATOM 1161 C ASP A 75 -5.489 -6.404 -7.293 1.00 0.00 C ATOM 1162 O ASP A 75 -5.144 -5.987 -8.403 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.901 -6.516 -6.802 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.327 -6.478 -8.247 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.857 -5.439 -8.697 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -8.164 -7.493 -8.952 1.00 0.00 O ATOM 0 H ASP A 75 -7.531 -4.132 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.394 -5.833 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.782 -7.555 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.693 -6.090 -6.187 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.917 -7.380 -6.694 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.828 -8.108 -7.318 1.00 0.00 C ATOM 1173 C GLY A 76 -2.458 -7.566 -6.949 1.00 0.00 C ATOM 1174 O GLY A 76 -1.443 -8.200 -7.225 1.00 0.00 O ATOM 0 H GLY A 76 -5.173 -7.711 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.887 -9.157 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.947 -8.070 -8.401 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.422 -6.405 -6.336 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.164 -5.817 -5.906 1.00 0.00 C ATOM 1180 C TYR A 77 -0.699 -6.423 -4.604 1.00 0.00 C ATOM 1181 O TYR A 77 -1.507 -6.964 -3.826 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.250 -4.294 -5.820 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.330 -3.618 -7.173 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.542 -3.403 -7.809 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.178 -3.198 -7.808 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.599 -2.784 -9.042 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.223 -2.580 -9.034 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.434 -2.374 -9.649 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.481 -1.754 -10.879 1.00 0.00 O ATOM 0 H TYR A 77 -3.247 -5.845 -6.122 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.417 -6.049 -6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.126 -4.020 -5.233 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.378 -3.918 -5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.457 -3.725 -7.333 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.778 -3.359 -7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.551 -2.623 -9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.690 -2.257 -9.512 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.572 -1.527 -11.166 1.00 0.00 H new ATOM 1199 N ARG A 78 0.583 -6.357 -4.364 1.00 0.00 N ATOM 1200 CA ARG A 78 1.142 -6.946 -3.189 1.00 0.00 C ATOM 1201 C ARG A 78 1.701 -5.827 -2.337 1.00 0.00 C ATOM 1202 O ARG A 78 2.566 -5.066 -2.782 1.00 0.00 O ATOM 1203 CB ARG A 78 2.259 -7.908 -3.588 1.00 0.00 C ATOM 1204 CG ARG A 78 2.612 -8.948 -2.541 1.00 0.00 C ATOM 1205 CD ARG A 78 3.777 -9.797 -3.001 1.00 0.00 C ATOM 1206 NE ARG A 78 3.873 -11.064 -2.267 1.00 0.00 N ATOM 1207 CZ ARG A 78 5.003 -11.666 -1.906 1.00 0.00 C ATOM 1208 NH1 ARG A 78 6.171 -11.040 -2.035 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.963 -12.898 -1.406 1.00 0.00 N ATOM 0 H ARG A 78 1.259 -5.897 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 78 0.386 -7.502 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.967 -8.421 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.153 -7.328 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.864 -8.455 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.748 -9.583 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.673 -10.005 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.703 -9.236 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 78 2.998 -11.522 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.203 -10.093 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.034 -11.507 -1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.069 -13.377 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.827 -13.364 -1.128 1.00 0.00 H new ATOM 1223 N ILE A 79 1.223 -5.712 -1.143 1.00 0.00 N ATOM 1224 CA ILE A 79 1.657 -4.650 -0.281 1.00 0.00 C ATOM 1225 C ILE A 79 2.578 -5.183 0.775 1.00 0.00 C ATOM 1226 O ILE A 79 2.234 -6.113 1.509 1.00 0.00 O ATOM 1227 CB ILE A 79 0.467 -3.879 0.361 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.399 -3.209 -0.723 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.944 -2.848 1.384 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.341 -2.220 -1.603 1.00 0.00 C ATOM 0 H ILE A 79 0.529 -6.339 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 79 2.198 -3.933 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.144 -4.609 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.831 -3.985 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.229 -2.694 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.083 -2.332 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.494 -3.352 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.596 -2.124 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.347 -1.799 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.749 -1.419 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.154 -2.730 -2.120 1.00 0.00 H new ATOM 1242 N HIS A 80 3.740 -4.619 0.833 1.00 0.00 N ATOM 1243 CA HIS A 80 4.721 -5.004 1.784 1.00 0.00 C ATOM 1244 C HIS A 80 4.821 -3.968 2.879 1.00 0.00 C ATOM 1245 O HIS A 80 5.087 -2.807 2.618 1.00 0.00 O ATOM 1246 CB HIS A 80 6.084 -5.215 1.102 1.00 0.00 C ATOM 1247 CG HIS A 80 7.198 -5.486 2.063 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.426 -6.716 2.624 1.00 0.00 N ATOM 1249 CD2 HIS A 80 8.105 -4.648 2.603 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.412 -6.633 3.479 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.857 -5.386 3.488 1.00 0.00 N ATOM 0 H HIS A 80 4.035 -3.867 0.210 1.00 0.00 H new ATOM 0 HA HIS A 80 4.420 -5.951 2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.007 -6.048 0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.329 -4.329 0.515 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.906 -7.566 2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.220 -3.597 2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.798 -7.445 4.077 1.00 0.00 H new ATOM 1260 N ALA A 81 4.599 -4.389 4.075 1.00 0.00 N ATOM 1261 CA ALA A 81 4.742 -3.542 5.217 1.00 0.00 C ATOM 1262 C ALA A 81 6.016 -3.927 5.936 1.00 0.00 C ATOM 1263 O ALA A 81 6.358 -5.109 6.010 1.00 0.00 O ATOM 1264 CB ALA A 81 3.534 -3.697 6.128 1.00 0.00 C ATOM 0 H ALA A 81 4.309 -5.342 4.295 1.00 0.00 H new ATOM 0 HA ALA A 81 4.799 -2.497 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.648 -3.049 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.631 -3.420 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.456 -4.734 6.456 1.00 0.00 H new ATOM 1270 N VAL A 82 6.744 -2.973 6.418 1.00 0.00 N ATOM 1271 CA VAL A 82 7.941 -3.280 7.127 1.00 0.00 C ATOM 1272 C VAL A 82 8.096 -2.391 8.356 1.00 0.00 C ATOM 1273 O VAL A 82 7.929 -1.160 8.294 1.00 0.00 O ATOM 1274 CB VAL A 82 9.196 -3.203 6.191 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.426 -1.808 5.640 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.445 -3.739 6.865 1.00 0.00 C ATOM 0 H VAL A 82 6.532 -1.979 6.334 1.00 0.00 H new ATOM 0 HA VAL A 82 7.866 -4.309 7.478 1.00 0.00 H new ATOM 0 HB VAL A 82 8.978 -3.850 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.307 -1.811 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.556 -1.498 5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.580 -1.112 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.289 -3.666 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.654 -3.155 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.291 -4.782 7.140 1.00 0.00 H new ATOM 1286 N ASP A 83 8.403 -3.025 9.460 1.00 0.00 N ATOM 1287 CA ASP A 83 8.632 -2.354 10.721 1.00 0.00 C ATOM 1288 C ASP A 83 10.012 -1.758 10.743 1.00 0.00 C ATOM 1289 O ASP A 83 11.018 -2.452 10.524 1.00 0.00 O ATOM 1290 CB ASP A 83 8.427 -3.338 11.878 1.00 0.00 C ATOM 1291 CG ASP A 83 8.820 -2.808 13.251 1.00 0.00 C ATOM 1292 OD1 ASP A 83 8.930 -1.582 13.445 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.066 -3.646 14.149 1.00 0.00 O ATOM 0 H ASP A 83 8.503 -4.039 9.512 1.00 0.00 H new ATOM 0 HA ASP A 83 7.915 -1.541 10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.377 -3.630 11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.004 -4.240 11.675 1.00 0.00 H new ATOM 1298 N VAL A 84 10.061 -0.489 10.980 1.00 0.00 N ATOM 1299 CA VAL A 84 11.294 0.239 10.979 1.00 0.00 C ATOM 1300 C VAL A 84 11.845 0.383 12.395 1.00 0.00 C ATOM 1301 O VAL A 84 13.072 0.419 12.595 1.00 0.00 O ATOM 1302 CB VAL A 84 11.102 1.643 10.351 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.410 2.403 10.272 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.466 1.536 8.979 1.00 0.00 C ATOM 0 H VAL A 84 9.240 0.081 11.182 1.00 0.00 H new ATOM 0 HA VAL A 84 12.009 -0.324 10.379 1.00 0.00 H new ATOM 0 HB VAL A 84 10.432 2.203 11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.235 3.382 9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.819 2.528 11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.118 1.846 9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.341 2.533 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.107 0.944 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.492 1.054 9.066 1.00 0.00 H new ATOM 1314 N THR A 85 10.967 0.396 13.383 1.00 0.00 N ATOM 1315 CA THR A 85 11.405 0.672 14.729 1.00 0.00 C ATOM 1316 C THR A 85 11.894 -0.608 15.418 1.00 0.00 C ATOM 1317 O THR A 85 12.810 -0.574 16.239 1.00 0.00 O ATOM 1318 CB THR A 85 10.305 1.397 15.567 1.00 0.00 C ATOM 1319 OG1 THR A 85 10.851 1.897 16.795 1.00 0.00 O ATOM 1320 CG2 THR A 85 9.138 0.468 15.892 1.00 0.00 C ATOM 0 H THR A 85 9.968 0.222 13.277 1.00 0.00 H new ATOM 0 HA THR A 85 12.249 1.359 14.665 1.00 0.00 H new ATOM 0 HB THR A 85 9.939 2.224 14.959 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.147 2.349 17.306 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.394 1.009 16.476 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.685 0.114 14.966 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.501 -0.384 16.467 1.00 0.00 H new