USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 60:sc= -0.143! USER MOD Set 2.1: A 7 LYS NZ :NH3+ -127:sc= 0.575 (180deg=-0.0392) USER MOD Set 2.2: A 32 ASN :FLIP amide:sc= -2.28! F(o=-3.4,f=-1.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -64:sc= 1.2 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 174:sc= -0.607 (180deg=-0.607) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.285 (180deg=-1.12) USER MOD Single : A 31 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.32) USER MOD Single : A 44 ASN : amide:sc= -0.0532 X(o=-0.053,f=-0.53) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0925 X(o=-0.093,f=-0.052) USER MOD Single : A 51 TYR OH : rot 32:sc= -2.5! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0451 F(o=-1,f=-0.045) USER MOD Single : A 60 MET CE :methyl 166:sc= -1.71 (180deg=-2.51!) USER MOD Single : A 62 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.24) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.00104) USER MOD Single : A 71 THR OG1 : rot -88:sc= 0.469 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -124:sc= -0.424 USER MOD Single : A 85 MET CE :methyl -123:sc= -3.22 (180deg=-3.93!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -1.78! C(o=-5.2!,f=-1.8!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0982 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 109 LYS NZ :NH3+ -153:sc= -0.977 (180deg=-2.24!) USER MOD Single : A 119 LYS NZ :NH3+ -156:sc= -0.316 (180deg=-1.61!) USER MOD Single : A 121 ASN : amide:sc= -0.0562 K(o=-0.056,f=-0.95) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.305 -0.393 9.005 1.00 0.00 N ATOM 2 CA ALA A 2 -13.142 0.530 9.141 1.00 0.00 C ATOM 3 C ALA A 2 -13.548 1.933 8.692 1.00 0.00 C ATOM 4 O ALA A 2 -14.417 2.099 7.858 1.00 0.00 O ATOM 5 CB ALA A 2 -11.993 0.037 8.258 1.00 0.00 C ATOM 0 HA ALA A 2 -12.822 0.555 10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.143 0.712 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.699 -0.965 8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.318 0.013 7.218 1.00 0.00 H new ATOM 11 N ASP A 3 -12.914 2.943 9.228 1.00 0.00 N ATOM 12 CA ASP A 3 -13.247 4.337 8.819 1.00 0.00 C ATOM 13 C ASP A 3 -13.325 4.387 7.297 1.00 0.00 C ATOM 14 O ASP A 3 -12.456 3.882 6.630 1.00 0.00 O ATOM 15 CB ASP A 3 -12.133 5.276 9.293 1.00 0.00 C ATOM 16 CG ASP A 3 -12.685 6.234 10.351 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.345 5.761 11.262 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.439 7.422 10.231 1.00 0.00 O ATOM 0 H ASP A 3 -12.180 2.861 9.931 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.197 4.643 9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.307 4.697 9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.735 5.840 8.449 1.00 0.00 H new ATOM 23 N LYS A 4 -14.353 4.975 6.735 1.00 0.00 N ATOM 24 CA LYS A 4 -14.440 5.036 5.245 1.00 0.00 C ATOM 25 C LYS A 4 -13.768 6.317 4.742 1.00 0.00 C ATOM 26 O LYS A 4 -14.001 6.757 3.633 1.00 0.00 O ATOM 27 CB LYS A 4 -15.900 5.004 4.782 1.00 0.00 C ATOM 28 CG LYS A 4 -16.806 5.651 5.824 1.00 0.00 C ATOM 29 CD LYS A 4 -18.123 6.041 5.151 1.00 0.00 C ATOM 30 CE LYS A 4 -18.009 7.457 4.585 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.346 8.446 5.648 1.00 0.00 N ATOM 0 H LYS A 4 -15.127 5.410 7.238 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.928 4.166 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.998 5.528 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.211 3.973 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.991 4.959 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.324 6.531 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.358 5.337 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.940 5.991 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.998 7.633 4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.682 7.576 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.269 9.409 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.318 8.282 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.687 8.337 6.445 1.00 0.00 H new ATOM 45 N GLU A 5 -12.942 6.921 5.551 1.00 0.00 N ATOM 46 CA GLU A 5 -12.250 8.174 5.131 1.00 0.00 C ATOM 47 C GLU A 5 -10.757 8.018 5.393 1.00 0.00 C ATOM 48 O GLU A 5 -10.103 8.919 5.881 1.00 0.00 O ATOM 49 CB GLU A 5 -12.792 9.353 5.941 1.00 0.00 C ATOM 50 CG GLU A 5 -14.288 9.517 5.668 1.00 0.00 C ATOM 51 CD GLU A 5 -14.594 10.985 5.371 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.180 11.826 6.152 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.236 11.245 4.367 1.00 0.00 O ATOM 0 H GLU A 5 -12.715 6.599 6.492 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.424 8.359 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.622 9.186 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.261 10.266 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.585 8.895 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.865 9.181 6.530 1.00 0.00 H new ATOM 60 N LEU A 6 -10.215 6.876 5.077 1.00 0.00 N ATOM 61 CA LEU A 6 -8.778 6.650 5.308 1.00 0.00 C ATOM 62 C LEU A 6 -8.013 7.080 4.052 1.00 0.00 C ATOM 63 O LEU A 6 -8.375 6.728 2.950 1.00 0.00 O ATOM 64 CB LEU A 6 -8.587 5.164 5.626 1.00 0.00 C ATOM 65 CG LEU A 6 -7.165 4.872 6.101 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.853 5.667 7.365 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.049 3.385 6.416 1.00 0.00 C ATOM 0 H LEU A 6 -10.717 6.089 4.666 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.395 7.234 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.298 4.861 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.805 4.570 4.738 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.462 5.156 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.836 5.448 7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.946 6.733 7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.554 5.389 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.038 3.163 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.761 3.122 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.265 2.805 5.519 1.00 0.00 H new ATOM 79 N LYS A 7 -6.991 7.876 4.205 1.00 0.00 N ATOM 80 CA LYS A 7 -6.238 8.373 3.015 1.00 0.00 C ATOM 81 C LYS A 7 -5.309 7.295 2.451 1.00 0.00 C ATOM 82 O LYS A 7 -4.461 6.762 3.144 1.00 0.00 O ATOM 83 CB LYS A 7 -5.404 9.587 3.425 1.00 0.00 C ATOM 84 CG LYS A 7 -6.257 10.855 3.329 1.00 0.00 C ATOM 85 CD LYS A 7 -5.804 11.854 4.396 1.00 0.00 C ATOM 86 CE LYS A 7 -6.640 13.132 4.287 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.156 13.943 3.135 1.00 0.00 N ATOM 0 H LYS A 7 -6.643 8.206 5.105 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.957 8.643 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.036 9.461 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.530 9.675 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.161 11.297 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.310 10.610 3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.915 11.418 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.747 12.086 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.692 12.881 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.565 13.709 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.949 14.911 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.292 13.514 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.889 13.972 2.398 1.00 0.00 H new ATOM 101 N PHE A 8 -5.455 6.995 1.181 1.00 0.00 N ATOM 102 CA PHE A 8 -4.584 5.982 0.534 1.00 0.00 C ATOM 103 C PHE A 8 -3.632 6.682 -0.428 1.00 0.00 C ATOM 104 O PHE A 8 -3.949 7.715 -0.979 1.00 0.00 O ATOM 105 CB PHE A 8 -5.435 5.011 -0.282 1.00 0.00 C ATOM 106 CG PHE A 8 -6.257 4.158 0.638 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.408 4.684 1.211 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.866 2.846 0.925 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.176 3.904 2.072 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.636 2.063 1.795 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.792 2.593 2.368 1.00 0.00 C ATOM 0 H PHE A 8 -6.150 7.418 0.566 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.034 5.446 1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.086 5.564 -0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.794 4.382 -0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.707 5.698 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.972 2.437 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.073 4.314 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.335 1.051 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.389 1.992 3.038 1.00 0.00 H new ATOM 121 N LEU A 9 -2.483 6.111 -0.654 1.00 0.00 N ATOM 122 CA LEU A 9 -1.519 6.719 -1.618 1.00 0.00 C ATOM 123 C LEU A 9 -1.046 5.618 -2.569 1.00 0.00 C ATOM 124 O LEU A 9 -0.274 4.756 -2.201 1.00 0.00 O ATOM 125 CB LEU A 9 -0.334 7.333 -0.859 1.00 0.00 C ATOM 126 CG LEU A 9 0.774 7.720 -1.847 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.200 8.633 -2.927 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.897 8.454 -1.114 1.00 0.00 C ATOM 0 H LEU A 9 -2.167 5.247 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.997 7.517 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.662 8.212 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.050 6.621 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 9 1.173 6.814 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.988 8.907 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.595 8.111 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.204 9.534 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.679 8.725 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.500 9.357 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.314 7.805 -0.345 1.00 0.00 H new ATOM 140 N VAL A 10 -1.522 5.627 -3.786 1.00 0.00 N ATOM 141 CA VAL A 10 -1.117 4.567 -4.751 1.00 0.00 C ATOM 142 C VAL A 10 0.095 5.030 -5.562 1.00 0.00 C ATOM 143 O VAL A 10 -0.016 5.839 -6.461 1.00 0.00 O ATOM 144 CB VAL A 10 -2.284 4.274 -5.693 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.229 3.265 -5.036 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.049 5.568 -5.980 1.00 0.00 C ATOM 0 H VAL A 10 -2.173 6.322 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.850 3.663 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.899 3.863 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.062 3.056 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.688 2.341 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.611 3.678 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.881 5.357 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.432 5.979 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.380 6.291 -6.447 1.00 0.00 H new ATOM 156 N VAL A 11 1.253 4.514 -5.250 1.00 0.00 N ATOM 157 CA VAL A 11 2.472 4.908 -5.992 1.00 0.00 C ATOM 158 C VAL A 11 2.728 3.906 -7.119 1.00 0.00 C ATOM 159 O VAL A 11 3.435 2.934 -6.948 1.00 0.00 O ATOM 160 CB VAL A 11 3.661 4.925 -5.031 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.926 5.345 -5.780 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.385 5.923 -3.908 1.00 0.00 C ATOM 0 H VAL A 11 1.402 3.832 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 11 2.339 5.901 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 11 3.803 3.928 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.770 5.356 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.124 4.638 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.787 6.342 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.230 5.939 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.243 6.917 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.485 5.626 -3.370 1.00 0.00 H new ATOM 172 N ASP A 12 2.155 4.133 -8.270 1.00 0.00 N ATOM 173 CA ASP A 12 2.364 3.189 -9.406 1.00 0.00 C ATOM 174 C ASP A 12 2.293 3.957 -10.727 1.00 0.00 C ATOM 175 O ASP A 12 1.707 5.019 -10.805 1.00 0.00 O ATOM 176 CB ASP A 12 1.275 2.115 -9.380 1.00 0.00 C ATOM 177 CG ASP A 12 1.620 1.063 -8.324 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.781 0.694 -8.241 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.719 0.645 -7.616 1.00 0.00 O ATOM 0 H ASP A 12 1.552 4.930 -8.473 1.00 0.00 H new ATOM 0 HA ASP A 12 3.342 2.718 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.309 2.567 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.188 1.647 -10.360 1.00 0.00 H new ATOM 184 N ASP A 13 2.887 3.424 -11.765 1.00 0.00 N ATOM 185 CA ASP A 13 2.865 4.110 -13.091 1.00 0.00 C ATOM 186 C ASP A 13 1.950 3.345 -14.051 1.00 0.00 C ATOM 187 O ASP A 13 1.584 3.839 -15.099 1.00 0.00 O ATOM 188 CB ASP A 13 4.283 4.150 -13.664 1.00 0.00 C ATOM 189 CG ASP A 13 5.041 5.338 -13.070 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.702 5.742 -11.969 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.949 5.824 -13.724 1.00 0.00 O ATOM 0 H ASP A 13 3.390 2.537 -11.749 1.00 0.00 H new ATOM 0 HA ASP A 13 2.490 5.126 -12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.805 3.221 -13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.245 4.235 -14.750 1.00 0.00 H new ATOM 196 N PHE A 14 1.578 2.142 -13.704 1.00 0.00 N ATOM 197 CA PHE A 14 0.688 1.350 -14.600 1.00 0.00 C ATOM 198 C PHE A 14 -0.484 2.221 -15.057 1.00 0.00 C ATOM 199 O PHE A 14 -1.078 2.937 -14.276 1.00 0.00 O ATOM 200 CB PHE A 14 0.154 0.132 -13.842 1.00 0.00 C ATOM 201 CG PHE A 14 0.938 -1.095 -14.242 1.00 0.00 C ATOM 202 CD1 PHE A 14 2.337 -1.046 -14.289 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.268 -2.281 -14.564 1.00 0.00 C ATOM 204 CE1 PHE A 14 3.065 -2.184 -14.658 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.996 -3.419 -14.934 1.00 0.00 C ATOM 206 CZ PHE A 14 2.394 -3.370 -14.981 1.00 0.00 C ATOM 0 H PHE A 14 1.852 1.674 -12.840 1.00 0.00 H new ATOM 0 HA PHE A 14 1.253 1.017 -15.471 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.236 0.295 -12.767 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.904 -0.012 -14.063 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.854 -0.131 -14.041 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.811 -2.319 -14.527 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.144 -2.147 -14.693 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.479 -4.334 -15.183 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.956 -4.247 -15.267 1.00 0.00 H new ATOM 216 N SER A 15 -0.820 2.166 -16.317 1.00 0.00 N ATOM 217 CA SER A 15 -1.953 2.992 -16.823 1.00 0.00 C ATOM 218 C SER A 15 -3.268 2.237 -16.617 1.00 0.00 C ATOM 219 O SER A 15 -4.208 2.391 -17.372 1.00 0.00 O ATOM 220 CB SER A 15 -1.754 3.271 -18.313 1.00 0.00 C ATOM 221 OG SER A 15 -2.886 3.969 -18.815 1.00 0.00 O ATOM 0 H SER A 15 -0.359 1.585 -17.018 1.00 0.00 H new ATOM 0 HA SER A 15 -1.987 3.935 -16.277 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.851 3.861 -18.467 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.619 2.335 -18.855 1.00 0.00 H new ATOM 0 HG SER A 15 -3.680 3.399 -18.744 1.00 0.00 H new ATOM 227 N THR A 16 -3.344 1.423 -15.599 1.00 0.00 N ATOM 228 CA THR A 16 -4.599 0.663 -15.346 1.00 0.00 C ATOM 229 C THR A 16 -4.645 0.231 -13.879 1.00 0.00 C ATOM 230 O THR A 16 -5.701 0.011 -13.319 1.00 0.00 O ATOM 231 CB THR A 16 -4.636 -0.576 -16.245 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.589 -1.499 -15.738 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.254 -1.229 -16.277 1.00 0.00 C ATOM 0 H THR A 16 -2.591 1.252 -14.933 1.00 0.00 H new ATOM 0 HA THR A 16 -5.459 1.296 -15.566 1.00 0.00 H new ATOM 0 HB THR A 16 -4.918 -0.283 -17.256 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.615 -2.292 -16.313 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.283 -2.111 -16.917 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.525 -0.519 -16.669 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.967 -1.523 -15.267 1.00 0.00 H new ATOM 241 N MET A 17 -3.508 0.112 -13.250 1.00 0.00 N ATOM 242 CA MET A 17 -3.489 -0.300 -11.819 1.00 0.00 C ATOM 243 C MET A 17 -4.138 0.796 -10.969 1.00 0.00 C ATOM 244 O MET A 17 -5.136 0.575 -10.312 1.00 0.00 O ATOM 245 CB MET A 17 -2.042 -0.508 -11.367 1.00 0.00 C ATOM 246 CG MET A 17 -2.026 -1.199 -10.002 1.00 0.00 C ATOM 247 SD MET A 17 -0.314 -1.380 -9.440 1.00 0.00 S ATOM 248 CE MET A 17 -0.684 -1.830 -7.727 1.00 0.00 C ATOM 0 H MET A 17 -2.592 0.282 -13.665 1.00 0.00 H new ATOM 0 HA MET A 17 -4.043 -1.231 -11.699 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.505 -1.112 -12.098 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.528 0.451 -11.307 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.598 -0.616 -9.280 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.503 -2.177 -10.071 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.240 -2.095 -7.213 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.151 -0.985 -7.222 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.364 -2.682 -7.713 1.00 0.00 H new ATOM 258 N ARG A 18 -3.579 1.975 -10.979 1.00 0.00 N ATOM 259 CA ARG A 18 -4.166 3.084 -10.174 1.00 0.00 C ATOM 260 C ARG A 18 -5.661 3.148 -10.420 1.00 0.00 C ATOM 261 O ARG A 18 -6.433 3.490 -9.547 1.00 0.00 O ATOM 262 CB ARG A 18 -3.514 4.417 -10.582 1.00 0.00 C ATOM 263 CG ARG A 18 -4.496 5.339 -11.330 1.00 0.00 C ATOM 264 CD ARG A 18 -3.755 6.595 -11.790 1.00 0.00 C ATOM 265 NE ARG A 18 -4.744 7.601 -12.269 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.338 8.663 -12.907 1.00 0.00 C ATOM 267 NH1 ARG A 18 -3.104 8.743 -13.321 1.00 0.00 N ATOM 268 NH2 ARG A 18 -5.168 9.646 -13.131 1.00 0.00 N ATOM 0 H ARG A 18 -2.742 2.218 -11.509 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.982 2.904 -9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.146 4.927 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.650 4.218 -11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.921 4.818 -12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.327 5.610 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.169 7.007 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.055 6.347 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.739 7.459 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.456 7.975 -13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.786 9.574 -13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.133 9.583 -12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.851 10.477 -13.630 1.00 0.00 H new ATOM 282 N ARG A 19 -6.075 2.863 -11.615 1.00 0.00 N ATOM 283 CA ARG A 19 -7.513 2.958 -11.918 1.00 0.00 C ATOM 284 C ARG A 19 -8.266 1.811 -11.242 1.00 0.00 C ATOM 285 O ARG A 19 -9.353 1.985 -10.728 1.00 0.00 O ATOM 286 CB ARG A 19 -7.727 2.895 -13.431 1.00 0.00 C ATOM 287 CG ARG A 19 -9.098 3.476 -13.779 1.00 0.00 C ATOM 288 CD ARG A 19 -9.692 2.709 -14.962 1.00 0.00 C ATOM 289 NE ARG A 19 -8.610 2.379 -15.932 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.761 1.388 -16.768 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.988 0.184 -16.318 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.686 1.601 -18.053 1.00 0.00 N ATOM 0 H ARG A 19 -5.480 2.570 -12.390 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.895 3.906 -11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.943 3.454 -13.943 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.660 1.863 -13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.763 3.409 -12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.004 4.533 -14.027 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.173 1.796 -14.613 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.461 3.308 -15.449 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.750 2.928 -15.943 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.047 0.018 -15.313 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.106 -0.591 -16.971 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.509 2.542 -18.405 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.804 0.826 -18.706 1.00 0.00 H new ATOM 306 N ILE A 20 -7.697 0.637 -11.243 1.00 0.00 N ATOM 307 CA ILE A 20 -8.376 -0.526 -10.607 1.00 0.00 C ATOM 308 C ILE A 20 -8.553 -0.266 -9.109 1.00 0.00 C ATOM 309 O ILE A 20 -9.642 -0.367 -8.577 1.00 0.00 O ATOM 310 CB ILE A 20 -7.525 -1.784 -10.819 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.926 -2.450 -12.138 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.743 -2.772 -9.668 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.883 -3.502 -12.517 1.00 0.00 C ATOM 0 H ILE A 20 -6.788 0.433 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.357 -0.669 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.473 -1.500 -10.850 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.907 -2.915 -12.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.006 -1.701 -12.926 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.133 -3.661 -9.831 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.457 -2.303 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.794 -3.056 -9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.169 -3.976 -13.456 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.910 -3.024 -12.633 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.826 -4.257 -11.733 1.00 0.00 H new ATOM 325 N VAL A 21 -7.492 0.052 -8.421 1.00 0.00 N ATOM 326 CA VAL A 21 -7.602 0.300 -6.955 1.00 0.00 C ATOM 327 C VAL A 21 -8.496 1.516 -6.692 1.00 0.00 C ATOM 328 O VAL A 21 -9.191 1.583 -5.697 1.00 0.00 O ATOM 329 CB VAL A 21 -6.213 0.547 -6.365 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.797 -0.663 -5.527 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.203 0.746 -7.497 1.00 0.00 C ATOM 0 H VAL A 21 -6.554 0.151 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.045 -0.576 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.239 1.439 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.807 -0.490 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.515 -0.811 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.772 -1.551 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.214 0.922 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.177 -0.146 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.498 1.604 -8.101 1.00 0.00 H new ATOM 341 N ARG A 22 -8.486 2.477 -7.573 1.00 0.00 N ATOM 342 CA ARG A 22 -9.336 3.686 -7.370 1.00 0.00 C ATOM 343 C ARG A 22 -10.780 3.262 -7.090 1.00 0.00 C ATOM 344 O ARG A 22 -11.369 3.634 -6.095 1.00 0.00 O ATOM 345 CB ARG A 22 -9.302 4.540 -8.638 1.00 0.00 C ATOM 346 CG ARG A 22 -8.387 5.750 -8.427 1.00 0.00 C ATOM 347 CD ARG A 22 -9.116 6.807 -7.594 1.00 0.00 C ATOM 348 NE ARG A 22 -9.609 7.891 -8.491 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.704 8.537 -8.194 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.893 8.974 -6.979 1.00 0.00 N ATOM 351 NH2 ARG A 22 -11.607 8.748 -9.111 1.00 0.00 N ATOM 0 H ARG A 22 -7.926 2.479 -8.426 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.956 4.258 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.944 3.945 -9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.309 4.874 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.471 5.442 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.094 6.169 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.951 6.353 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.444 7.220 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.091 8.128 -9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.186 8.811 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.748 9.479 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.458 8.408 -10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.462 9.253 -8.878 1.00 0.00 H new ATOM 365 N ASN A 23 -11.350 2.487 -7.969 1.00 0.00 N ATOM 366 CA ASN A 23 -12.742 2.028 -7.790 1.00 0.00 C ATOM 367 C ASN A 23 -12.807 1.039 -6.638 1.00 0.00 C ATOM 368 O ASN A 23 -13.582 1.182 -5.715 1.00 0.00 O ATOM 369 CB ASN A 23 -13.136 1.308 -9.061 1.00 0.00 C ATOM 370 CG ASN A 23 -14.510 1.788 -9.536 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.612 2.513 -10.506 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.579 1.413 -8.887 1.00 0.00 N ATOM 0 H ASN A 23 -10.896 2.150 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.402 2.870 -7.580 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.391 1.489 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.159 0.232 -8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.499 1.729 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.494 0.804 -8.073 1.00 0.00 H new ATOM 379 N LEU A 24 -11.988 0.032 -6.712 1.00 0.00 N ATOM 380 CA LEU A 24 -11.951 -1.015 -5.656 1.00 0.00 C ATOM 381 C LEU A 24 -12.083 -0.357 -4.278 1.00 0.00 C ATOM 382 O LEU A 24 -12.928 -0.719 -3.484 1.00 0.00 O ATOM 383 CB LEU A 24 -10.600 -1.722 -5.766 1.00 0.00 C ATOM 384 CG LEU A 24 -10.644 -3.156 -5.188 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.290 -4.156 -6.294 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.631 -3.321 -4.041 1.00 0.00 C ATOM 0 H LEU A 24 -11.328 -0.113 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.769 -1.725 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.297 -1.763 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.844 -1.142 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.648 -3.339 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.319 -5.169 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.009 -4.068 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.289 -3.944 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.683 -4.338 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.625 -3.126 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.866 -2.616 -3.244 1.00 0.00 H new ATOM 398 N LEU A 25 -11.261 0.618 -3.999 1.00 0.00 N ATOM 399 CA LEU A 25 -11.342 1.314 -2.683 1.00 0.00 C ATOM 400 C LEU A 25 -12.732 1.928 -2.530 1.00 0.00 C ATOM 401 O LEU A 25 -13.432 1.667 -1.571 1.00 0.00 O ATOM 402 CB LEU A 25 -10.282 2.416 -2.629 1.00 0.00 C ATOM 403 CG LEU A 25 -8.967 1.838 -2.105 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.799 2.651 -2.662 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.947 1.910 -0.576 1.00 0.00 C ATOM 0 H LEU A 25 -10.535 0.963 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.166 0.605 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.134 2.841 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.618 3.226 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.877 0.799 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.860 2.241 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.809 2.604 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.893 3.689 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.009 1.498 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.037 2.949 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.781 1.335 -0.174 1.00 0.00 H new ATOM 417 N LYS A 26 -13.144 2.737 -3.466 1.00 0.00 N ATOM 418 CA LYS A 26 -14.490 3.353 -3.366 1.00 0.00 C ATOM 419 C LYS A 26 -15.527 2.253 -3.131 1.00 0.00 C ATOM 420 O LYS A 26 -16.533 2.463 -2.484 1.00 0.00 O ATOM 421 CB LYS A 26 -14.816 4.100 -4.660 1.00 0.00 C ATOM 422 CG LYS A 26 -15.687 5.316 -4.338 1.00 0.00 C ATOM 423 CD LYS A 26 -16.078 6.026 -5.634 1.00 0.00 C ATOM 424 CE LYS A 26 -16.606 7.425 -5.310 1.00 0.00 C ATOM 425 NZ LYS A 26 -17.255 7.412 -3.969 1.00 0.00 N ATOM 0 H LYS A 26 -12.606 2.996 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.508 4.059 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.896 4.417 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.336 3.439 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.581 5.003 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.146 6.001 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.216 6.096 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.840 5.451 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.789 8.146 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.322 7.740 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.829 8.271 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.865 6.574 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.524 7.382 -3.230 1.00 0.00 H new ATOM 439 N GLU A 27 -15.289 1.080 -3.653 1.00 0.00 N ATOM 440 CA GLU A 27 -16.256 -0.031 -3.462 1.00 0.00 C ATOM 441 C GLU A 27 -16.519 -0.222 -1.968 1.00 0.00 C ATOM 442 O GLU A 27 -17.599 -0.600 -1.560 1.00 0.00 O ATOM 443 CB GLU A 27 -15.675 -1.321 -4.048 1.00 0.00 C ATOM 444 CG GLU A 27 -16.813 -2.214 -4.546 1.00 0.00 C ATOM 445 CD GLU A 27 -17.812 -2.450 -3.413 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.414 -3.008 -2.405 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.959 -2.066 -3.572 1.00 0.00 O ATOM 0 H GLU A 27 -14.463 0.846 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.191 0.208 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.997 -1.087 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.091 -1.846 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.313 -1.745 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.415 -3.166 -4.898 1.00 0.00 H new ATOM 454 N LEU A 28 -15.537 0.037 -1.149 1.00 0.00 N ATOM 455 CA LEU A 28 -15.726 -0.131 0.319 1.00 0.00 C ATOM 456 C LEU A 28 -16.247 1.173 0.924 1.00 0.00 C ATOM 457 O LEU A 28 -17.318 1.222 1.495 1.00 0.00 O ATOM 458 CB LEU A 28 -14.387 -0.490 0.966 1.00 0.00 C ATOM 459 CG LEU A 28 -14.184 -2.005 0.914 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.195 -2.472 -0.543 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.838 -2.357 1.551 1.00 0.00 C ATOM 0 H LEU A 28 -14.611 0.358 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.447 -0.928 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.573 0.015 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.367 -0.145 2.000 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.988 -2.500 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.050 -3.552 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.152 -2.218 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.391 -1.979 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.690 -3.436 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.036 -1.863 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.828 -2.023 2.589 1.00 0.00 H new ATOM 473 N GLY A 29 -15.490 2.226 0.812 1.00 0.00 N ATOM 474 CA GLY A 29 -15.924 3.522 1.384 1.00 0.00 C ATOM 475 C GLY A 29 -14.716 4.448 1.515 1.00 0.00 C ATOM 476 O GLY A 29 -14.228 4.685 2.595 1.00 0.00 O ATOM 0 H GLY A 29 -14.583 2.242 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.679 3.979 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.384 3.366 2.360 1.00 0.00 H new ATOM 480 N PHE A 30 -14.220 4.972 0.429 1.00 0.00 N ATOM 481 CA PHE A 30 -13.044 5.882 0.524 1.00 0.00 C ATOM 482 C PHE A 30 -13.086 6.907 -0.615 1.00 0.00 C ATOM 483 O PHE A 30 -13.350 6.566 -1.752 1.00 0.00 O ATOM 484 CB PHE A 30 -11.757 5.059 0.451 1.00 0.00 C ATOM 485 CG PHE A 30 -11.639 4.216 1.694 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.426 4.832 2.927 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.725 2.818 1.611 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.297 4.057 4.080 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.601 2.041 2.770 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.386 2.662 4.004 1.00 0.00 C ATOM 0 H PHE A 30 -14.575 4.811 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.072 6.416 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.767 4.424 -0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.894 5.718 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.361 5.908 2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.887 2.342 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.128 4.535 5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.671 0.965 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.289 2.065 4.899 1.00 0.00 H new ATOM 500 N ASN A 31 -12.848 8.162 -0.313 1.00 0.00 N ATOM 501 CA ASN A 31 -12.893 9.215 -1.366 1.00 0.00 C ATOM 502 C ASN A 31 -11.697 10.173 -1.220 1.00 0.00 C ATOM 503 O ASN A 31 -11.757 11.317 -1.627 1.00 0.00 O ATOM 504 CB ASN A 31 -14.201 9.990 -1.205 1.00 0.00 C ATOM 505 CG ASN A 31 -14.683 9.878 0.243 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.365 8.936 0.598 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.354 10.804 1.101 1.00 0.00 N ATOM 0 H ASN A 31 -12.624 8.499 0.623 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.840 8.755 -2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.051 11.037 -1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.957 9.594 -1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.669 10.737 2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.782 11.594 0.804 1.00 0.00 H new ATOM 514 N ASN A 32 -10.610 9.715 -0.651 1.00 0.00 N ATOM 515 CA ASN A 32 -9.414 10.600 -0.488 1.00 0.00 C ATOM 516 C ASN A 32 -8.147 9.810 -0.827 1.00 0.00 C ATOM 517 O ASN A 32 -7.591 9.130 0.012 1.00 0.00 O ATOM 518 CB ASN A 32 -9.335 11.090 0.960 1.00 0.00 C ATOM 519 CG ASN A 32 -8.464 12.345 1.029 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.678 13.223 1.969 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -7.578 12.529 0.217 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.498 8.767 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.501 11.456 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.335 11.308 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.918 10.310 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.410 11.843 -0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.003 13.370 0.271 1.00 0.00 H new ATOM 528 N VAL A 33 -7.698 9.888 -2.055 1.00 0.00 N ATOM 529 CA VAL A 33 -6.476 9.128 -2.463 1.00 0.00 C ATOM 530 C VAL A 33 -5.599 9.984 -3.384 1.00 0.00 C ATOM 531 O VAL A 33 -6.086 10.847 -4.089 1.00 0.00 O ATOM 532 CB VAL A 33 -6.917 7.874 -3.226 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.701 7.016 -3.582 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.881 7.058 -2.363 1.00 0.00 C ATOM 0 H VAL A 33 -8.126 10.446 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.903 8.861 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.418 8.180 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.028 6.128 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.020 7.592 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.188 6.715 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.193 6.167 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.382 6.762 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.756 7.662 -2.125 1.00 0.00 H new ATOM 544 N GLU A 34 -4.310 9.729 -3.399 1.00 0.00 N ATOM 545 CA GLU A 34 -3.391 10.495 -4.293 1.00 0.00 C ATOM 546 C GLU A 34 -2.572 9.494 -5.109 1.00 0.00 C ATOM 547 O GLU A 34 -2.832 8.307 -5.088 1.00 0.00 O ATOM 548 CB GLU A 34 -2.448 11.379 -3.458 1.00 0.00 C ATOM 549 CG GLU A 34 -3.030 12.794 -3.288 1.00 0.00 C ATOM 550 CD GLU A 34 -1.908 13.763 -2.907 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.844 13.291 -2.542 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.133 14.959 -2.987 1.00 0.00 O ATOM 0 H GLU A 34 -3.856 9.018 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.971 11.140 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.290 10.926 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.474 11.438 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.506 13.117 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.801 12.792 -2.517 1.00 0.00 H new ATOM 559 N GLU A 35 -1.593 9.956 -5.837 1.00 0.00 N ATOM 560 CA GLU A 35 -0.784 9.013 -6.658 1.00 0.00 C ATOM 561 C GLU A 35 0.647 9.532 -6.815 1.00 0.00 C ATOM 562 O GLU A 35 0.887 10.722 -6.879 1.00 0.00 O ATOM 563 CB GLU A 35 -1.432 8.875 -8.040 1.00 0.00 C ATOM 564 CG GLU A 35 -0.721 7.783 -8.842 1.00 0.00 C ATOM 565 CD GLU A 35 -0.153 8.384 -10.128 1.00 0.00 C ATOM 566 OE1 GLU A 35 -0.898 8.490 -11.089 1.00 0.00 O ATOM 567 OE2 GLU A 35 1.016 8.731 -10.131 1.00 0.00 O ATOM 0 H GLU A 35 -1.320 10.937 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.750 8.044 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.489 8.630 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.377 9.824 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.081 7.344 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.418 6.979 -9.080 1.00 0.00 H new ATOM 574 N ALA A 36 1.596 8.635 -6.889 1.00 0.00 N ATOM 575 CA ALA A 36 3.023 9.040 -7.056 1.00 0.00 C ATOM 576 C ALA A 36 3.648 8.184 -8.158 1.00 0.00 C ATOM 577 O ALA A 36 2.950 7.536 -8.912 1.00 0.00 O ATOM 578 CB ALA A 36 3.774 8.831 -5.741 1.00 0.00 C ATOM 0 H ALA A 36 1.441 7.628 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 36 3.084 10.093 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.815 9.127 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.315 9.437 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.727 7.779 -5.459 1.00 0.00 H new ATOM 584 N GLU A 37 4.952 8.183 -8.267 1.00 0.00 N ATOM 585 CA GLU A 37 5.611 7.372 -9.338 1.00 0.00 C ATOM 586 C GLU A 37 6.843 6.642 -8.787 1.00 0.00 C ATOM 587 O GLU A 37 7.519 5.935 -9.508 1.00 0.00 O ATOM 588 CB GLU A 37 6.036 8.293 -10.483 1.00 0.00 C ATOM 589 CG GLU A 37 7.277 9.085 -10.070 1.00 0.00 C ATOM 590 CD GLU A 37 7.440 10.295 -10.991 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.866 10.279 -12.067 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.136 11.219 -10.603 1.00 0.00 O ATOM 0 H GLU A 37 5.588 8.706 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 37 4.900 6.630 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.248 7.705 -11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.224 8.975 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.184 9.413 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.162 8.450 -10.126 1.00 0.00 H new ATOM 599 N ASP A 38 7.144 6.791 -7.525 1.00 0.00 N ATOM 600 CA ASP A 38 8.335 6.086 -6.965 1.00 0.00 C ATOM 601 C ASP A 38 8.430 6.342 -5.461 1.00 0.00 C ATOM 602 O ASP A 38 7.796 7.234 -4.932 1.00 0.00 O ATOM 603 CB ASP A 38 9.605 6.599 -7.650 1.00 0.00 C ATOM 604 CG ASP A 38 10.829 6.217 -6.814 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.974 5.043 -6.514 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.599 7.104 -6.488 1.00 0.00 O ATOM 0 H ASP A 38 6.623 7.365 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 38 8.232 5.015 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.688 6.174 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.555 7.682 -7.767 1.00 0.00 H new ATOM 611 N GLY A 39 9.220 5.568 -4.765 1.00 0.00 N ATOM 612 CA GLY A 39 9.354 5.774 -3.296 1.00 0.00 C ATOM 613 C GLY A 39 9.802 7.210 -3.029 1.00 0.00 C ATOM 614 O GLY A 39 9.329 7.856 -2.118 1.00 0.00 O ATOM 0 H GLY A 39 9.776 4.805 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.403 5.579 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.078 5.072 -2.883 1.00 0.00 H new ATOM 618 N VAL A 40 10.701 7.723 -3.824 1.00 0.00 N ATOM 619 CA VAL A 40 11.153 9.125 -3.611 1.00 0.00 C ATOM 620 C VAL A 40 9.939 10.044 -3.727 1.00 0.00 C ATOM 621 O VAL A 40 9.772 10.980 -2.967 1.00 0.00 O ATOM 622 CB VAL A 40 12.187 9.503 -4.674 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.518 10.993 -4.559 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.461 8.682 -4.461 1.00 0.00 C ATOM 0 H VAL A 40 11.139 7.235 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 40 11.609 9.225 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 40 11.781 9.296 -5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.254 11.262 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.612 11.580 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.924 11.200 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.198 8.951 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.866 8.889 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.228 7.620 -4.543 1.00 0.00 H new ATOM 634 N ASP A 41 9.079 9.768 -4.667 1.00 0.00 N ATOM 635 CA ASP A 41 7.862 10.602 -4.837 1.00 0.00 C ATOM 636 C ASP A 41 6.963 10.408 -3.619 1.00 0.00 C ATOM 637 O ASP A 41 6.515 11.356 -3.006 1.00 0.00 O ATOM 638 CB ASP A 41 7.124 10.155 -6.094 1.00 0.00 C ATOM 639 CG ASP A 41 6.157 11.252 -6.540 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.037 12.234 -5.826 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.553 11.093 -7.589 1.00 0.00 O ATOM 0 H ASP A 41 9.169 8.996 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 41 8.134 11.653 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.838 9.940 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.578 9.232 -5.898 1.00 0.00 H new ATOM 646 N ALA A 42 6.707 9.180 -3.258 1.00 0.00 N ATOM 647 CA ALA A 42 5.848 8.923 -2.073 1.00 0.00 C ATOM 648 C ALA A 42 6.428 9.671 -0.875 1.00 0.00 C ATOM 649 O ALA A 42 5.765 10.479 -0.262 1.00 0.00 O ATOM 650 CB ALA A 42 5.823 7.426 -1.769 1.00 0.00 C ATOM 0 H ALA A 42 7.056 8.347 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 42 4.833 9.265 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.192 7.242 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.423 6.887 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.836 7.080 -1.562 1.00 0.00 H new ATOM 656 N LEU A 43 7.668 9.404 -0.548 1.00 0.00 N ATOM 657 CA LEU A 43 8.318 10.091 0.608 1.00 0.00 C ATOM 658 C LEU A 43 7.929 11.570 0.615 1.00 0.00 C ATOM 659 O LEU A 43 7.570 12.122 1.636 1.00 0.00 O ATOM 660 CB LEU A 43 9.838 9.967 0.482 1.00 0.00 C ATOM 661 CG LEU A 43 10.428 9.519 1.820 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.078 8.050 2.070 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.948 9.680 1.785 1.00 0.00 C ATOM 0 H LEU A 43 8.262 8.734 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 43 7.987 9.626 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.091 9.248 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.268 10.924 0.185 1.00 0.00 H new ATOM 0 HG LEU A 43 10.014 10.131 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.499 7.733 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.995 7.933 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.490 7.436 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.370 9.361 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.360 9.068 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.199 10.726 1.609 1.00 0.00 H new ATOM 675 N ASN A 44 7.991 12.213 -0.518 1.00 0.00 N ATOM 676 CA ASN A 44 7.617 13.654 -0.572 1.00 0.00 C ATOM 677 C ASN A 44 6.103 13.792 -0.395 1.00 0.00 C ATOM 678 O ASN A 44 5.622 14.715 0.232 1.00 0.00 O ATOM 679 CB ASN A 44 8.027 14.239 -1.924 1.00 0.00 C ATOM 680 CG ASN A 44 9.521 14.561 -1.909 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.011 15.187 -0.990 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.273 14.157 -2.897 1.00 0.00 N ATOM 0 H ASN A 44 8.283 11.805 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 44 8.129 14.193 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.805 13.530 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.452 15.141 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.271 14.367 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.862 13.631 -3.669 1.00 0.00 H new ATOM 689 N LYS A 45 5.350 12.883 -0.949 1.00 0.00 N ATOM 690 CA LYS A 45 3.867 12.961 -0.821 1.00 0.00 C ATOM 691 C LYS A 45 3.407 12.201 0.427 1.00 0.00 C ATOM 692 O LYS A 45 2.227 12.068 0.677 1.00 0.00 O ATOM 693 CB LYS A 45 3.215 12.340 -2.060 1.00 0.00 C ATOM 694 CG LYS A 45 3.538 13.188 -3.291 1.00 0.00 C ATOM 695 CD LYS A 45 2.626 12.774 -4.448 1.00 0.00 C ATOM 696 CE LYS A 45 3.051 13.506 -5.723 1.00 0.00 C ATOM 697 NZ LYS A 45 1.848 14.076 -6.393 1.00 0.00 N ATOM 0 H LYS A 45 5.698 12.088 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 45 3.572 14.007 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.578 11.322 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.136 12.278 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.399 14.245 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.583 13.057 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.681 11.696 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.589 13.010 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.756 14.301 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.564 12.819 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.136 14.574 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.190 13.308 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.377 14.744 -5.751 1.00 0.00 H new ATOM 711 N LEU A 46 4.319 11.698 1.212 1.00 0.00 N ATOM 712 CA LEU A 46 3.911 10.948 2.437 1.00 0.00 C ATOM 713 C LEU A 46 3.800 11.926 3.607 1.00 0.00 C ATOM 714 O LEU A 46 2.738 12.125 4.162 1.00 0.00 O ATOM 715 CB LEU A 46 4.963 9.876 2.756 1.00 0.00 C ATOM 716 CG LEU A 46 4.317 8.484 2.816 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.250 8.455 3.906 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.665 8.143 1.474 1.00 0.00 C ATOM 0 H LEU A 46 5.325 11.772 1.061 1.00 0.00 H new ATOM 0 HA LEU A 46 2.948 10.465 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.744 9.888 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.442 10.102 3.709 1.00 0.00 H new ATOM 0 HG LEU A 46 5.093 7.752 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.795 7.465 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.708 8.681 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.484 9.198 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.211 7.154 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.897 8.882 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.422 8.150 0.690 1.00 0.00 H new ATOM 730 N GLN A 47 4.883 12.545 3.983 1.00 0.00 N ATOM 731 CA GLN A 47 4.827 13.515 5.110 1.00 0.00 C ATOM 732 C GLN A 47 3.782 14.583 4.791 1.00 0.00 C ATOM 733 O GLN A 47 3.441 15.403 5.621 1.00 0.00 O ATOM 734 CB GLN A 47 6.196 14.173 5.286 1.00 0.00 C ATOM 735 CG GLN A 47 7.207 13.127 5.762 1.00 0.00 C ATOM 736 CD GLN A 47 8.394 13.090 4.800 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.011 14.104 4.537 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.746 11.955 4.259 1.00 0.00 N ATOM 0 H GLN A 47 5.803 12.422 3.560 1.00 0.00 H new ATOM 0 HA GLN A 47 4.558 12.998 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.525 14.610 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.130 14.986 6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.549 13.368 6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.735 12.146 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.229 11.103 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.538 11.920 3.617 1.00 0.00 H new ATOM 747 N ALA A 48 3.274 14.576 3.588 1.00 0.00 N ATOM 748 CA ALA A 48 2.251 15.582 3.195 1.00 0.00 C ATOM 749 C ALA A 48 1.201 15.710 4.300 1.00 0.00 C ATOM 750 O ALA A 48 1.229 16.636 5.087 1.00 0.00 O ATOM 751 CB ALA A 48 1.572 15.138 1.898 1.00 0.00 C ATOM 0 H ALA A 48 3.527 13.911 2.857 1.00 0.00 H new ATOM 0 HA ALA A 48 2.735 16.547 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.822 15.875 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.318 15.051 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.091 14.172 2.051 1.00 0.00 H new ATOM 757 N GLY A 49 0.275 14.785 4.359 1.00 0.00 N ATOM 758 CA GLY A 49 -0.789 14.838 5.406 1.00 0.00 C ATOM 759 C GLY A 49 -0.747 13.557 6.240 1.00 0.00 C ATOM 760 O GLY A 49 -1.544 13.362 7.135 1.00 0.00 O ATOM 0 H GLY A 49 0.211 13.991 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.641 15.707 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.768 14.949 4.940 1.00 0.00 H new ATOM 764 N GLY A 50 0.173 12.679 5.949 1.00 0.00 N ATOM 765 CA GLY A 50 0.260 11.410 6.724 1.00 0.00 C ATOM 766 C GLY A 50 -0.793 10.438 6.203 1.00 0.00 C ATOM 767 O GLY A 50 -1.832 10.249 6.803 1.00 0.00 O ATOM 0 H GLY A 50 0.867 12.785 5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.255 10.976 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.101 11.605 7.785 1.00 0.00 H new ATOM 771 N TYR A 51 -0.534 9.823 5.085 1.00 0.00 N ATOM 772 CA TYR A 51 -1.517 8.869 4.514 1.00 0.00 C ATOM 773 C TYR A 51 -1.680 7.676 5.448 1.00 0.00 C ATOM 774 O TYR A 51 -0.797 6.853 5.581 1.00 0.00 O ATOM 775 CB TYR A 51 -1.018 8.388 3.156 1.00 0.00 C ATOM 776 CG TYR A 51 -1.275 9.462 2.135 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.431 10.576 2.058 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.365 9.346 1.273 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.686 11.574 1.112 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.621 10.344 0.330 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.781 11.459 0.249 1.00 0.00 C ATOM 782 OH TYR A 51 -2.035 12.444 -0.678 1.00 0.00 O ATOM 0 H TYR A 51 0.321 9.942 4.541 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.480 9.366 4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.047 8.161 3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.528 7.467 2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.413 10.664 2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.012 8.483 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.037 12.435 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.467 10.255 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.190 12.846 -0.968 1.00 0.00 H new ATOM 792 N GLY A 52 -2.805 7.572 6.090 1.00 0.00 N ATOM 793 CA GLY A 52 -3.024 6.428 7.008 1.00 0.00 C ATOM 794 C GLY A 52 -2.916 5.127 6.220 1.00 0.00 C ATOM 795 O GLY A 52 -3.030 4.051 6.765 1.00 0.00 O ATOM 0 H GLY A 52 -3.582 8.229 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.287 6.444 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.006 6.504 7.476 1.00 0.00 H new ATOM 799 N PHE A 53 -2.703 5.211 4.937 1.00 0.00 N ATOM 800 CA PHE A 53 -2.591 3.966 4.135 1.00 0.00 C ATOM 801 C PHE A 53 -1.816 4.250 2.848 1.00 0.00 C ATOM 802 O PHE A 53 -1.984 5.276 2.221 1.00 0.00 O ATOM 803 CB PHE A 53 -3.991 3.474 3.794 1.00 0.00 C ATOM 804 CG PHE A 53 -4.117 2.002 4.103 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.421 1.589 5.400 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.963 1.053 3.087 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.569 0.232 5.687 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.115 -0.304 3.370 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.419 -0.719 4.671 1.00 0.00 C ATOM 0 H PHE A 53 -2.603 6.081 4.414 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.061 3.204 4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.731 4.037 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.199 3.650 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.542 2.322 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.726 1.371 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.799 -0.085 6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.998 -1.035 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.538 -1.770 4.891 1.00 0.00 H new ATOM 819 N VAL A 54 -0.965 3.349 2.450 1.00 0.00 N ATOM 820 CA VAL A 54 -0.185 3.573 1.201 1.00 0.00 C ATOM 821 C VAL A 54 -0.045 2.255 0.442 1.00 0.00 C ATOM 822 O VAL A 54 0.434 1.267 0.966 1.00 0.00 O ATOM 823 CB VAL A 54 1.196 4.122 1.552 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.939 4.512 0.273 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.047 5.351 2.453 1.00 0.00 C ATOM 0 H VAL A 54 -0.775 2.470 2.932 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.706 4.294 0.571 1.00 0.00 H new ATOM 0 HB VAL A 54 1.764 3.354 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.924 4.903 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.051 3.635 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.372 5.276 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.034 5.741 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.475 6.118 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.526 5.070 3.368 1.00 0.00 H new ATOM 835 N ILE A 55 -0.469 2.243 -0.791 1.00 0.00 N ATOM 836 CA ILE A 55 -0.380 1.009 -1.619 1.00 0.00 C ATOM 837 C ILE A 55 0.768 1.171 -2.621 1.00 0.00 C ATOM 838 O ILE A 55 0.810 2.125 -3.372 1.00 0.00 O ATOM 839 CB ILE A 55 -1.702 0.826 -2.372 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.839 0.668 -1.360 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.635 -0.419 -3.257 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.183 0.881 -2.058 1.00 0.00 C ATOM 0 H ILE A 55 -0.879 3.047 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.195 0.138 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.881 1.699 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.804 -0.325 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.721 1.388 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.580 -0.540 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.825 -0.310 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.452 -1.297 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.991 0.768 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.216 1.883 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.301 0.144 -2.852 1.00 0.00 H new ATOM 854 N SER A 56 1.697 0.247 -2.637 1.00 0.00 N ATOM 855 CA SER A 56 2.845 0.343 -3.591 1.00 0.00 C ATOM 856 C SER A 56 3.041 -1.005 -4.287 1.00 0.00 C ATOM 857 O SER A 56 2.456 -1.999 -3.907 1.00 0.00 O ATOM 858 CB SER A 56 4.116 0.715 -2.826 1.00 0.00 C ATOM 859 OG SER A 56 4.558 -0.406 -2.073 1.00 0.00 O ATOM 0 H SER A 56 1.710 -0.572 -2.029 1.00 0.00 H new ATOM 0 HA SER A 56 2.636 1.110 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.894 1.029 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.921 1.558 -2.163 1.00 0.00 H new ATOM 0 HG SER A 56 5.373 -0.170 -1.583 1.00 0.00 H new ATOM 865 N ASP A 57 3.853 -1.046 -5.310 1.00 0.00 N ATOM 866 CA ASP A 57 4.075 -2.329 -6.037 1.00 0.00 C ATOM 867 C ASP A 57 5.314 -3.041 -5.485 1.00 0.00 C ATOM 868 O ASP A 57 5.310 -3.550 -4.382 1.00 0.00 O ATOM 869 CB ASP A 57 4.279 -2.041 -7.525 1.00 0.00 C ATOM 870 CG ASP A 57 4.525 -3.354 -8.270 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.375 -4.397 -7.656 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.860 -3.294 -9.442 1.00 0.00 O ATOM 0 H ASP A 57 4.372 -0.246 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 57 3.204 -2.970 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.402 -1.538 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.125 -1.368 -7.663 1.00 0.00 H new ATOM 877 N TRP A 58 6.369 -3.091 -6.252 1.00 0.00 N ATOM 878 CA TRP A 58 7.605 -3.783 -5.785 1.00 0.00 C ATOM 879 C TRP A 58 8.779 -3.376 -6.679 1.00 0.00 C ATOM 880 O TRP A 58 9.789 -2.890 -6.210 1.00 0.00 O ATOM 881 CB TRP A 58 7.386 -5.296 -5.874 1.00 0.00 C ATOM 882 CG TRP A 58 8.453 -6.025 -5.119 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.334 -6.892 -5.671 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.761 -5.983 -3.694 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.160 -7.385 -4.679 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.848 -6.856 -3.443 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.211 -5.282 -2.604 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.369 -7.027 -2.160 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.735 -5.452 -1.311 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.810 -6.323 -1.091 1.00 0.00 C ATOM 0 H TRP A 58 6.429 -2.682 -7.184 1.00 0.00 H new ATOM 0 HA TRP A 58 7.826 -3.505 -4.755 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.407 -5.552 -5.470 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.392 -5.610 -6.918 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.383 -7.156 -6.717 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.909 -8.058 -4.841 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.381 -4.609 -2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.198 -7.699 -1.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.306 -4.908 -0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.207 -6.450 -0.095 1.00 0.00 H new ATOM 901 N ASN A 59 8.651 -3.565 -7.964 1.00 0.00 N ATOM 902 CA ASN A 59 9.756 -3.182 -8.888 1.00 0.00 C ATOM 903 C ASN A 59 9.632 -1.695 -9.227 1.00 0.00 C ATOM 904 O ASN A 59 9.276 -1.327 -10.329 1.00 0.00 O ATOM 905 CB ASN A 59 9.661 -4.011 -10.170 1.00 0.00 C ATOM 906 CG ASN A 59 10.910 -3.779 -11.023 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.072 -3.679 -10.439 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 10.826 -3.688 -12.231 1.00 0.00 N flip ATOM 0 H ASN A 59 7.829 -3.968 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 59 10.717 -3.370 -8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.567 -5.069 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.768 -3.733 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.917 -3.766 -12.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.665 -3.533 -12.790 1.00 0.00 H new ATOM 915 N MET A 60 9.917 -0.839 -8.285 1.00 0.00 N ATOM 916 CA MET A 60 9.811 0.625 -8.544 1.00 0.00 C ATOM 917 C MET A 60 11.180 1.157 -9.015 1.00 0.00 C ATOM 918 O MET A 60 12.195 0.626 -8.609 1.00 0.00 O ATOM 919 CB MET A 60 9.411 1.322 -7.238 1.00 0.00 C ATOM 920 CG MET A 60 8.185 0.628 -6.642 1.00 0.00 C ATOM 921 SD MET A 60 6.816 0.698 -7.824 1.00 0.00 S ATOM 922 CE MET A 60 6.141 2.291 -7.297 1.00 0.00 C ATOM 0 H MET A 60 10.220 -1.091 -7.344 1.00 0.00 H new ATOM 0 HA MET A 60 9.065 0.820 -9.314 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.239 1.292 -6.530 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.191 2.373 -7.427 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.421 -0.409 -6.404 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.898 1.112 -5.708 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.439 2.655 -8.047 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.624 2.170 -6.345 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.952 3.009 -7.180 1.00 0.00 H new ATOM 932 N PRO A 61 11.194 2.189 -9.844 1.00 0.00 N ATOM 933 CA PRO A 61 12.467 2.759 -10.324 1.00 0.00 C ATOM 934 C PRO A 61 13.336 3.171 -9.134 1.00 0.00 C ATOM 935 O PRO A 61 12.962 2.995 -7.992 1.00 0.00 O ATOM 936 CB PRO A 61 12.068 3.984 -11.157 1.00 0.00 C ATOM 937 CG PRO A 61 10.522 4.083 -11.136 1.00 0.00 C ATOM 938 CD PRO A 61 9.987 2.868 -10.365 1.00 0.00 C ATOM 0 HA PRO A 61 13.048 2.046 -10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.515 4.889 -10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.431 3.886 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.205 5.010 -10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.126 4.096 -12.151 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.325 3.174 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.412 2.209 -11.015 1.00 0.00 H new ATOM 946 N ASN A 62 14.494 3.713 -9.390 1.00 0.00 N ATOM 947 CA ASN A 62 15.382 4.129 -8.269 1.00 0.00 C ATOM 948 C ASN A 62 15.534 2.962 -7.289 1.00 0.00 C ATOM 949 O ASN A 62 16.244 2.011 -7.552 1.00 0.00 O ATOM 950 CB ASN A 62 14.763 5.327 -7.547 1.00 0.00 C ATOM 951 CG ASN A 62 14.625 6.497 -8.524 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.562 6.836 -9.219 1.00 0.00 O ATOM 953 ND2 ASN A 62 13.487 7.130 -8.608 1.00 0.00 N ATOM 0 H ASN A 62 14.863 3.886 -10.325 1.00 0.00 H new ATOM 0 HA ASN A 62 16.361 4.409 -8.659 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.786 5.058 -7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.386 5.617 -6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.384 7.910 -9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.701 6.845 -8.024 1.00 0.00 H new ATOM 960 N MET A 63 14.869 3.030 -6.164 1.00 0.00 N ATOM 961 CA MET A 63 14.963 1.929 -5.158 1.00 0.00 C ATOM 962 C MET A 63 13.663 1.122 -5.163 1.00 0.00 C ATOM 963 O MET A 63 12.640 1.576 -5.637 1.00 0.00 O ATOM 964 CB MET A 63 15.184 2.532 -3.769 1.00 0.00 C ATOM 965 CG MET A 63 16.536 3.247 -3.732 1.00 0.00 C ATOM 966 SD MET A 63 16.864 3.829 -2.050 1.00 0.00 S ATOM 967 CE MET A 63 18.054 2.545 -1.596 1.00 0.00 C ATOM 0 H MET A 63 14.262 3.805 -5.898 1.00 0.00 H new ATOM 0 HA MET A 63 15.797 1.274 -5.409 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.383 3.233 -3.534 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.154 1.748 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.327 2.570 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.534 4.088 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 63 18.396 2.711 -0.575 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.578 1.567 -1.665 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.906 2.582 -2.275 1.00 0.00 H new ATOM 977 N ASP A 64 13.692 -0.072 -4.636 1.00 0.00 N ATOM 978 CA ASP A 64 12.459 -0.908 -4.608 1.00 0.00 C ATOM 979 C ASP A 64 11.493 -0.358 -3.556 1.00 0.00 C ATOM 980 O ASP A 64 11.784 0.609 -2.882 1.00 0.00 O ATOM 981 CB ASP A 64 12.830 -2.349 -4.255 1.00 0.00 C ATOM 982 CG ASP A 64 13.640 -2.362 -2.957 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.856 -1.295 -2.406 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.029 -3.439 -2.535 1.00 0.00 O ATOM 0 H ASP A 64 14.518 -0.505 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 64 11.981 -0.884 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.928 -2.951 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.410 -2.795 -5.063 1.00 0.00 H new ATOM 989 N GLY A 65 10.348 -0.967 -3.408 1.00 0.00 N ATOM 990 CA GLY A 65 9.373 -0.473 -2.395 1.00 0.00 C ATOM 991 C GLY A 65 9.742 -1.029 -1.019 1.00 0.00 C ATOM 992 O GLY A 65 9.026 -0.856 -0.050 1.00 0.00 O ATOM 0 H GLY A 65 10.047 -1.782 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.377 0.617 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.363 -0.782 -2.665 1.00 0.00 H new ATOM 996 N LEU A 66 10.861 -1.690 -0.918 1.00 0.00 N ATOM 997 CA LEU A 66 11.268 -2.238 0.401 1.00 0.00 C ATOM 998 C LEU A 66 11.767 -1.083 1.265 1.00 0.00 C ATOM 999 O LEU A 66 11.481 -1.003 2.442 1.00 0.00 O ATOM 1000 CB LEU A 66 12.383 -3.275 0.219 1.00 0.00 C ATOM 1001 CG LEU A 66 12.809 -3.834 1.582 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.608 -4.476 2.276 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.891 -4.896 1.380 1.00 0.00 C ATOM 0 H LEU A 66 11.506 -1.873 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 66 10.420 -2.727 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.036 -4.085 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.238 -2.818 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 66 13.195 -3.021 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.916 -4.872 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.829 -3.728 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.222 -5.287 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.195 -5.294 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.497 -5.703 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.753 -4.448 0.885 1.00 0.00 H new ATOM 1015 N GLU A 67 12.498 -0.175 0.678 1.00 0.00 N ATOM 1016 CA GLU A 67 13.001 0.986 1.455 1.00 0.00 C ATOM 1017 C GLU A 67 11.821 1.906 1.767 1.00 0.00 C ATOM 1018 O GLU A 67 11.892 2.763 2.623 1.00 0.00 O ATOM 1019 CB GLU A 67 14.041 1.745 0.630 1.00 0.00 C ATOM 1020 CG GLU A 67 15.088 2.356 1.563 1.00 0.00 C ATOM 1021 CD GLU A 67 16.014 1.253 2.081 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.408 0.415 1.286 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.314 1.266 3.263 1.00 0.00 O ATOM 0 H GLU A 67 12.767 -0.190 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 67 13.465 0.645 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.520 1.070 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.557 2.529 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.667 3.112 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.599 2.857 2.398 1.00 0.00 H new ATOM 1030 N LEU A 68 10.728 1.723 1.073 1.00 0.00 N ATOM 1031 CA LEU A 68 9.529 2.570 1.320 1.00 0.00 C ATOM 1032 C LEU A 68 8.879 2.136 2.635 1.00 0.00 C ATOM 1033 O LEU A 68 8.732 2.914 3.555 1.00 0.00 O ATOM 1034 CB LEU A 68 8.528 2.378 0.173 1.00 0.00 C ATOM 1035 CG LEU A 68 8.699 3.485 -0.878 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.944 3.116 -2.167 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.132 4.802 -0.339 1.00 0.00 C ATOM 0 H LEU A 68 10.616 1.019 0.343 1.00 0.00 H new ATOM 0 HA LEU A 68 9.821 3.619 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.678 1.402 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.510 2.393 0.564 1.00 0.00 H new ATOM 0 HG LEU A 68 9.762 3.595 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.073 3.909 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.340 2.182 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.884 2.996 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.255 5.585 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.072 4.677 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.664 5.082 0.570 1.00 0.00 H new ATOM 1049 N LEU A 69 8.489 0.892 2.731 1.00 0.00 N ATOM 1050 CA LEU A 69 7.846 0.404 3.987 1.00 0.00 C ATOM 1051 C LEU A 69 8.851 0.488 5.136 1.00 0.00 C ATOM 1052 O LEU A 69 8.508 0.841 6.246 1.00 0.00 O ATOM 1053 CB LEU A 69 7.344 -1.035 3.758 1.00 0.00 C ATOM 1054 CG LEU A 69 7.924 -2.042 4.780 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.366 -1.770 6.189 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.530 -3.471 4.368 1.00 0.00 C ATOM 0 H LEU A 69 8.588 0.193 1.995 1.00 0.00 H new ATOM 0 HA LEU A 69 6.990 1.024 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.256 -1.049 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.612 -1.352 2.750 1.00 0.00 H new ATOM 0 HG LEU A 69 9.008 -1.931 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.787 -2.489 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.635 -0.760 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.280 -1.868 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.937 -4.182 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.444 -3.557 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.929 -3.687 3.377 1.00 0.00 H new ATOM 1068 N LYS A 70 10.092 0.185 4.876 1.00 0.00 N ATOM 1069 CA LYS A 70 11.118 0.265 5.953 1.00 0.00 C ATOM 1070 C LYS A 70 11.241 1.719 6.413 1.00 0.00 C ATOM 1071 O LYS A 70 11.172 2.017 7.589 1.00 0.00 O ATOM 1072 CB LYS A 70 12.466 -0.220 5.409 1.00 0.00 C ATOM 1073 CG LYS A 70 13.523 -0.207 6.521 1.00 0.00 C ATOM 1074 CD LYS A 70 13.121 -1.172 7.640 1.00 0.00 C ATOM 1075 CE LYS A 70 14.378 -1.726 8.313 1.00 0.00 C ATOM 1076 NZ LYS A 70 14.924 -2.849 7.498 1.00 0.00 N ATOM 0 H LYS A 70 10.440 -0.114 3.965 1.00 0.00 H new ATOM 0 HA LYS A 70 10.824 -0.363 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.363 -1.228 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.786 0.420 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.493 -0.493 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.629 0.802 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.500 -0.657 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.524 -1.988 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.126 -0.939 8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.142 -2.074 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.902 -3.047 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.341 -3.698 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.910 -2.586 6.492 1.00 0.00 H new ATOM 1090 N THR A 71 11.421 2.629 5.493 1.00 0.00 N ATOM 1091 CA THR A 71 11.545 4.064 5.878 1.00 0.00 C ATOM 1092 C THR A 71 10.267 4.510 6.587 1.00 0.00 C ATOM 1093 O THR A 71 10.307 5.158 7.615 1.00 0.00 O ATOM 1094 CB THR A 71 11.757 4.914 4.623 1.00 0.00 C ATOM 1095 OG1 THR A 71 10.775 4.578 3.653 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.153 4.647 4.056 1.00 0.00 C ATOM 0 H THR A 71 11.487 2.440 4.493 1.00 0.00 H new ATOM 0 HA THR A 71 12.396 4.190 6.547 1.00 0.00 H new ATOM 0 HB THR A 71 11.667 5.970 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.095 3.828 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.305 5.252 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.904 4.907 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.246 3.592 3.800 1.00 0.00 H new ATOM 1104 N ILE A 72 9.130 4.165 6.049 1.00 0.00 N ATOM 1105 CA ILE A 72 7.848 4.565 6.692 1.00 0.00 C ATOM 1106 C ILE A 72 7.718 3.856 8.043 1.00 0.00 C ATOM 1107 O ILE A 72 7.183 4.396 8.991 1.00 0.00 O ATOM 1108 CB ILE A 72 6.680 4.163 5.788 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.800 4.892 4.442 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.359 4.548 6.458 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.062 4.109 3.348 1.00 0.00 C ATOM 0 H ILE A 72 9.034 3.623 5.191 1.00 0.00 H new ATOM 0 HA ILE A 72 7.834 5.644 6.844 1.00 0.00 H new ATOM 0 HB ILE A 72 6.704 3.086 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.383 5.896 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.850 5.004 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.527 4.262 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.272 4.032 7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.335 5.625 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.154 4.636 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.498 3.114 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.008 4.020 3.612 1.00 0.00 H new ATOM 1123 N ARG A 73 8.204 2.648 8.135 1.00 0.00 N ATOM 1124 CA ARG A 73 8.111 1.897 9.421 1.00 0.00 C ATOM 1125 C ARG A 73 9.353 2.178 10.272 1.00 0.00 C ATOM 1126 O ARG A 73 9.430 1.784 11.419 1.00 0.00 O ATOM 1127 CB ARG A 73 8.021 0.396 9.124 1.00 0.00 C ATOM 1128 CG ARG A 73 7.766 -0.381 10.422 1.00 0.00 C ATOM 1129 CD ARG A 73 8.977 -1.261 10.737 1.00 0.00 C ATOM 1130 NE ARG A 73 8.793 -1.899 12.071 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.637 -3.192 12.162 1.00 0.00 C ATOM 1132 NH1 ARG A 73 9.383 -3.992 11.450 1.00 0.00 N ATOM 1133 NH2 ARG A 73 7.733 -3.685 12.965 1.00 0.00 N ATOM 0 H ARG A 73 8.663 2.147 7.374 1.00 0.00 H new ATOM 0 HA ARG A 73 7.223 2.216 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.218 0.205 8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.946 0.052 8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.583 0.312 11.243 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.872 -0.997 10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.094 -2.026 9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.887 -0.661 10.731 1.00 0.00 H new ATOM 0 HE ARG A 73 8.789 -1.325 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.089 -3.607 10.822 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.260 -5.002 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.149 -3.060 13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.611 -4.695 13.036 1.00 0.00 H new ATOM 1147 N ALA A 74 10.326 2.852 9.713 1.00 0.00 N ATOM 1148 CA ALA A 74 11.576 3.160 10.473 1.00 0.00 C ATOM 1149 C ALA A 74 11.622 4.649 10.808 1.00 0.00 C ATOM 1150 O ALA A 74 12.383 5.071 11.656 1.00 0.00 O ATOM 1151 CB ALA A 74 12.782 2.816 9.608 1.00 0.00 C ATOM 0 H ALA A 74 10.308 3.205 8.756 1.00 0.00 H new ATOM 0 HA ALA A 74 11.591 2.576 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.698 3.038 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.758 1.756 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.754 3.408 8.693 1.00 0.00 H new ATOM 1157 N ASP A 75 10.819 5.427 10.126 1.00 0.00 N ATOM 1158 CA ASP A 75 10.768 6.913 10.343 1.00 0.00 C ATOM 1159 C ASP A 75 11.255 7.286 11.748 1.00 0.00 C ATOM 1160 O ASP A 75 12.440 7.429 11.982 1.00 0.00 O ATOM 1161 CB ASP A 75 9.325 7.394 10.170 1.00 0.00 C ATOM 1162 CG ASP A 75 8.378 6.443 10.908 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.847 5.734 11.783 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.202 6.441 10.585 1.00 0.00 O ATOM 0 H ASP A 75 10.178 5.088 9.408 1.00 0.00 H new ATOM 0 HA ASP A 75 11.422 7.391 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.218 8.406 10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.067 7.432 9.112 1.00 0.00 H new ATOM 1169 N GLY A 76 10.360 7.444 12.682 1.00 0.00 N ATOM 1170 CA GLY A 76 10.790 7.805 14.063 1.00 0.00 C ATOM 1171 C GLY A 76 9.609 7.668 15.024 1.00 0.00 C ATOM 1172 O GLY A 76 9.465 6.670 15.703 1.00 0.00 O ATOM 0 H GLY A 76 9.354 7.340 12.551 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.607 7.157 14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.169 8.827 14.081 1.00 0.00 H new ATOM 1176 N ALA A 77 8.768 8.665 15.087 1.00 0.00 N ATOM 1177 CA ALA A 77 7.593 8.606 16.004 1.00 0.00 C ATOM 1178 C ALA A 77 6.329 8.281 15.205 1.00 0.00 C ATOM 1179 O ALA A 77 5.234 8.636 15.590 1.00 0.00 O ATOM 1180 CB ALA A 77 7.421 9.962 16.692 1.00 0.00 C ATOM 0 H ALA A 77 8.845 9.522 14.540 1.00 0.00 H new ATOM 0 HA ALA A 77 7.757 7.830 16.752 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.563 9.923 17.363 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.319 10.196 17.264 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.258 10.734 15.940 1.00 0.00 H new ATOM 1186 N MET A 78 6.469 7.607 14.096 1.00 0.00 N ATOM 1187 CA MET A 78 5.270 7.262 13.281 1.00 0.00 C ATOM 1188 C MET A 78 5.499 5.924 12.577 1.00 0.00 C ATOM 1189 O MET A 78 5.074 5.722 11.457 1.00 0.00 O ATOM 1190 CB MET A 78 5.030 8.352 12.235 1.00 0.00 C ATOM 1191 CG MET A 78 3.554 8.356 11.832 1.00 0.00 C ATOM 1192 SD MET A 78 2.622 9.413 12.968 1.00 0.00 S ATOM 1193 CE MET A 78 1.165 9.642 11.919 1.00 0.00 C ATOM 0 H MET A 78 7.359 7.281 13.720 1.00 0.00 H new ATOM 0 HA MET A 78 4.400 7.187 13.933 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.311 9.325 12.637 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.656 8.176 11.360 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.446 8.718 10.810 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.157 7.341 11.854 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.443 10.276 12.433 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.462 10.115 10.983 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.712 8.673 11.709 1.00 0.00 H new ATOM 1203 N SER A 79 6.163 5.007 13.225 1.00 0.00 N ATOM 1204 CA SER A 79 6.413 3.684 12.591 1.00 0.00 C ATOM 1205 C SER A 79 5.153 2.825 12.700 1.00 0.00 C ATOM 1206 O SER A 79 5.172 1.748 13.263 1.00 0.00 O ATOM 1207 CB SER A 79 7.569 2.984 13.305 1.00 0.00 C ATOM 1208 OG SER A 79 8.800 3.547 12.871 1.00 0.00 O ATOM 0 H SER A 79 6.543 5.117 14.165 1.00 0.00 H new ATOM 0 HA SER A 79 6.670 3.826 11.541 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.466 3.095 14.384 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.549 1.915 13.092 1.00 0.00 H new ATOM 0 HG SER A 79 9.379 2.838 12.522 1.00 0.00 H new ATOM 1214 N ALA A 80 4.056 3.297 12.174 1.00 0.00 N ATOM 1215 CA ALA A 80 2.792 2.508 12.256 1.00 0.00 C ATOM 1216 C ALA A 80 1.934 2.728 11.003 1.00 0.00 C ATOM 1217 O ALA A 80 1.047 1.952 10.715 1.00 0.00 O ATOM 1218 CB ALA A 80 2.001 2.946 13.491 1.00 0.00 C ATOM 0 H ALA A 80 3.979 4.193 11.692 1.00 0.00 H new ATOM 0 HA ALA A 80 3.045 1.450 12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.077 2.371 13.554 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.598 2.772 14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.764 4.007 13.414 1.00 0.00 H new ATOM 1224 N LEU A 81 2.175 3.778 10.259 1.00 0.00 N ATOM 1225 CA LEU A 81 1.350 4.024 9.043 1.00 0.00 C ATOM 1226 C LEU A 81 1.245 2.716 8.216 1.00 0.00 C ATOM 1227 O LEU A 81 2.238 2.281 7.670 1.00 0.00 O ATOM 1228 CB LEU A 81 2.006 5.108 8.186 1.00 0.00 C ATOM 1229 CG LEU A 81 0.948 6.154 7.814 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.521 6.947 9.057 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.523 7.115 6.772 1.00 0.00 C ATOM 0 H LEU A 81 2.902 4.470 10.441 1.00 0.00 H new ATOM 0 HA LEU A 81 0.355 4.350 9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.824 5.577 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.435 4.669 7.285 1.00 0.00 H new ATOM 0 HG LEU A 81 0.077 5.642 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.230 7.686 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.102 6.265 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.388 7.454 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.771 7.858 6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.399 7.616 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.810 6.556 5.881 1.00 0.00 H new ATOM 1243 N PRO A 82 0.068 2.103 8.145 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.101 0.840 7.388 1.00 0.00 C ATOM 1245 C PRO A 82 0.257 0.967 5.900 1.00 0.00 C ATOM 1246 O PRO A 82 -0.283 1.779 5.171 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.584 0.474 7.544 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.244 1.547 8.441 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.175 2.586 8.793 1.00 0.00 C ATOM 0 HA PRO A 82 0.575 0.079 7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.073 0.437 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.688 -0.515 7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.078 2.018 7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.648 1.093 9.346 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.451 3.575 8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.049 2.670 9.872 1.00 0.00 H new ATOM 1257 N VAL A 83 1.136 0.111 5.449 1.00 0.00 N ATOM 1258 CA VAL A 83 1.531 0.078 4.011 1.00 0.00 C ATOM 1259 C VAL A 83 1.213 -1.309 3.494 1.00 0.00 C ATOM 1260 O VAL A 83 1.792 -2.272 3.944 1.00 0.00 O ATOM 1261 CB VAL A 83 3.049 0.296 3.860 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.609 -0.540 2.684 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.352 1.757 3.584 1.00 0.00 C ATOM 0 H VAL A 83 1.607 -0.582 6.031 1.00 0.00 H new ATOM 0 HA VAL A 83 1.001 0.859 3.466 1.00 0.00 H new ATOM 0 HB VAL A 83 3.518 -0.015 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.682 -0.371 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.423 -1.598 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.117 -0.241 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.429 1.892 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.857 2.063 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.988 2.367 4.411 1.00 0.00 H new ATOM 1273 N LEU A 84 0.332 -1.447 2.555 1.00 0.00 N ATOM 1274 CA LEU A 84 0.076 -2.815 2.046 1.00 0.00 C ATOM 1275 C LEU A 84 0.898 -2.977 0.784 1.00 0.00 C ATOM 1276 O LEU A 84 0.609 -2.392 -0.242 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.422 -3.033 1.782 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.741 -4.482 1.317 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.753 -5.522 1.872 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.136 -4.862 1.812 1.00 0.00 C ATOM 0 H LEU A 84 -0.210 -0.697 2.126 1.00 0.00 H new ATOM 0 HA LEU A 84 0.365 -3.565 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.983 -2.815 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.760 -2.328 1.022 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.669 -4.490 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.028 -6.513 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.256 -5.281 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.785 -5.509 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.372 -5.877 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.163 -4.809 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.870 -4.171 1.397 1.00 0.00 H new ATOM 1292 N MET A 85 1.947 -3.747 0.856 1.00 0.00 N ATOM 1293 CA MET A 85 2.799 -3.908 -0.340 1.00 0.00 C ATOM 1294 C MET A 85 2.082 -4.826 -1.323 1.00 0.00 C ATOM 1295 O MET A 85 1.557 -5.862 -0.960 1.00 0.00 O ATOM 1296 CB MET A 85 4.172 -4.468 0.065 1.00 0.00 C ATOM 1297 CG MET A 85 4.054 -5.940 0.459 1.00 0.00 C ATOM 1298 SD MET A 85 4.029 -6.990 -1.020 1.00 0.00 S ATOM 1299 CE MET A 85 5.766 -6.808 -1.500 1.00 0.00 C ATOM 0 H MET A 85 2.244 -4.264 1.684 1.00 0.00 H new ATOM 0 HA MET A 85 2.972 -2.945 -0.821 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.873 -4.362 -0.763 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.574 -3.893 0.899 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.892 -6.220 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.144 -6.096 1.039 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.824 -6.423 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.260 -6.114 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.261 -7.778 -1.451 1.00 0.00 H new ATOM 1309 N VAL A 86 2.023 -4.418 -2.559 1.00 0.00 N ATOM 1310 CA VAL A 86 1.302 -5.211 -3.587 1.00 0.00 C ATOM 1311 C VAL A 86 2.277 -5.779 -4.618 1.00 0.00 C ATOM 1312 O VAL A 86 3.229 -5.136 -5.008 1.00 0.00 O ATOM 1313 CB VAL A 86 0.320 -4.276 -4.279 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.497 -5.054 -5.298 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.604 -3.661 -3.227 1.00 0.00 C ATOM 0 H VAL A 86 2.450 -3.558 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 86 0.786 -6.048 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 86 0.863 -3.484 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.199 -4.382 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.170 -5.492 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.048 -5.847 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.312 -2.989 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.149 -4.453 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.011 -3.102 -2.504 1.00 0.00 H new ATOM 1325 N THR A 87 2.037 -6.981 -5.069 1.00 0.00 N ATOM 1326 CA THR A 87 2.945 -7.585 -6.086 1.00 0.00 C ATOM 1327 C THR A 87 2.149 -8.549 -6.967 1.00 0.00 C ATOM 1328 O THR A 87 0.976 -8.774 -6.747 1.00 0.00 O ATOM 1329 CB THR A 87 4.075 -8.341 -5.385 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.936 -8.913 -6.361 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.487 -9.446 -4.512 1.00 0.00 C ATOM 0 H THR A 87 1.255 -7.568 -4.779 1.00 0.00 H new ATOM 0 HA THR A 87 3.373 -6.796 -6.705 1.00 0.00 H new ATOM 0 HB THR A 87 4.641 -7.651 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.662 -9.396 -5.914 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.293 -9.984 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.827 -9.006 -3.764 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.920 -10.138 -5.134 1.00 0.00 H new ATOM 1339 N ALA A 88 2.781 -9.118 -7.963 1.00 0.00 N ATOM 1340 CA ALA A 88 2.070 -10.073 -8.870 1.00 0.00 C ATOM 1341 C ALA A 88 2.878 -11.367 -8.972 1.00 0.00 C ATOM 1342 O ALA A 88 2.446 -12.331 -9.571 1.00 0.00 O ATOM 1343 CB ALA A 88 1.935 -9.452 -10.260 1.00 0.00 C ATOM 0 H ALA A 88 3.763 -8.962 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 88 1.079 -10.287 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.417 -10.148 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.366 -8.525 -10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.926 -9.240 -10.662 1.00 0.00 H new ATOM 1349 N GLU A 89 4.048 -11.391 -8.392 1.00 0.00 N ATOM 1350 CA GLU A 89 4.892 -12.618 -8.451 1.00 0.00 C ATOM 1351 C GLU A 89 5.556 -12.842 -7.091 1.00 0.00 C ATOM 1352 O GLU A 89 6.764 -12.906 -6.983 1.00 0.00 O ATOM 1353 CB GLU A 89 5.971 -12.441 -9.523 1.00 0.00 C ATOM 1354 CG GLU A 89 6.612 -11.060 -9.382 1.00 0.00 C ATOM 1355 CD GLU A 89 6.088 -10.137 -10.484 1.00 0.00 C ATOM 1356 OE1 GLU A 89 4.918 -10.243 -10.811 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.866 -9.341 -10.983 1.00 0.00 O ATOM 0 H GLU A 89 4.456 -10.610 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 89 4.271 -13.478 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.729 -13.217 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.534 -12.550 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.383 -10.640 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.697 -11.143 -9.448 1.00 0.00 H new ATOM 1364 N ALA A 90 4.773 -12.960 -6.052 1.00 0.00 N ATOM 1365 CA ALA A 90 5.356 -13.181 -4.698 1.00 0.00 C ATOM 1366 C ALA A 90 6.414 -14.286 -4.779 1.00 0.00 C ATOM 1367 O ALA A 90 6.111 -15.458 -4.676 1.00 0.00 O ATOM 1368 CB ALA A 90 4.248 -13.596 -3.728 1.00 0.00 C ATOM 0 H ALA A 90 3.755 -12.913 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 90 5.819 -12.261 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.673 -13.758 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.496 -12.808 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.784 -14.518 -4.079 1.00 0.00 H new ATOM 1374 N LYS A 91 7.652 -13.919 -4.973 1.00 0.00 N ATOM 1375 CA LYS A 91 8.731 -14.943 -5.073 1.00 0.00 C ATOM 1376 C LYS A 91 9.101 -15.447 -3.676 1.00 0.00 C ATOM 1377 O LYS A 91 10.260 -15.524 -3.321 1.00 0.00 O ATOM 1378 CB LYS A 91 9.963 -14.317 -5.732 1.00 0.00 C ATOM 1379 CG LYS A 91 10.741 -15.392 -6.494 1.00 0.00 C ATOM 1380 CD LYS A 91 10.189 -15.509 -7.917 1.00 0.00 C ATOM 1381 CE LYS A 91 10.614 -16.847 -8.523 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.519 -16.773 -10.008 1.00 0.00 N ATOM 0 H LYS A 91 7.963 -12.952 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 91 8.378 -15.781 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.659 -13.522 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.600 -13.861 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.800 -15.137 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.657 -16.350 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.102 -15.433 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.558 -14.687 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.635 -17.085 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.977 -17.647 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.808 -17.683 -10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.538 -16.564 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.145 -16.020 -10.359 1.00 0.00 H new ATOM 1396 N LYS A 92 8.126 -15.794 -2.882 1.00 0.00 N ATOM 1397 CA LYS A 92 8.422 -16.297 -1.509 1.00 0.00 C ATOM 1398 C LYS A 92 9.333 -15.302 -0.783 1.00 0.00 C ATOM 1399 O LYS A 92 8.871 -14.422 -0.084 1.00 0.00 O ATOM 1400 CB LYS A 92 9.127 -17.655 -1.599 1.00 0.00 C ATOM 1401 CG LYS A 92 8.095 -18.782 -1.507 1.00 0.00 C ATOM 1402 CD LYS A 92 8.810 -20.134 -1.577 1.00 0.00 C ATOM 1403 CE LYS A 92 7.814 -21.221 -1.983 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.920 -21.471 -3.448 1.00 0.00 N ATOM 0 H LYS A 92 7.136 -15.751 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 92 7.488 -16.407 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.676 -17.728 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.856 -17.751 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.535 -18.702 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.374 -18.697 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.627 -20.088 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.251 -20.374 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.017 -22.139 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.800 -20.913 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.243 -22.210 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.706 -20.595 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.885 -21.783 -3.678 1.00 0.00 H new ATOM 1418 N GLU A 93 10.622 -15.443 -0.937 1.00 0.00 N ATOM 1419 CA GLU A 93 11.567 -14.517 -0.254 1.00 0.00 C ATOM 1420 C GLU A 93 11.088 -13.072 -0.408 1.00 0.00 C ATOM 1421 O GLU A 93 11.160 -12.289 0.515 1.00 0.00 O ATOM 1422 CB GLU A 93 12.959 -14.661 -0.872 1.00 0.00 C ATOM 1423 CG GLU A 93 14.022 -14.339 0.181 1.00 0.00 C ATOM 1424 CD GLU A 93 15.294 -13.848 -0.511 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.403 -12.653 -0.727 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.139 -14.676 -0.811 1.00 0.00 O ATOM 0 H GLU A 93 11.062 -16.164 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 93 11.609 -14.768 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.099 -15.675 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.061 -13.989 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.651 -13.577 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.239 -15.225 0.777 1.00 0.00 H new ATOM 1433 N ASN A 94 10.599 -12.709 -1.564 1.00 0.00 N ATOM 1434 CA ASN A 94 10.123 -11.311 -1.755 1.00 0.00 C ATOM 1435 C ASN A 94 9.045 -11.006 -0.718 1.00 0.00 C ATOM 1436 O ASN A 94 9.011 -9.941 -0.135 1.00 0.00 O ATOM 1437 CB ASN A 94 9.547 -11.148 -3.160 1.00 0.00 C ATOM 1438 CG ASN A 94 10.633 -10.628 -4.102 1.00 0.00 C ATOM 1439 OD1 ASN A 94 10.302 -9.841 -5.088 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 11.796 -10.942 -3.940 1.00 0.00 N flip ATOM 0 H ASN A 94 10.510 -13.317 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 94 10.957 -10.620 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.165 -12.103 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.706 -10.455 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.055 -11.557 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.512 -10.590 -4.575 1.00 0.00 H new ATOM 1447 N ILE A 95 8.168 -11.936 -0.470 1.00 0.00 N ATOM 1448 CA ILE A 95 7.108 -11.693 0.546 1.00 0.00 C ATOM 1449 C ILE A 95 7.779 -11.415 1.886 1.00 0.00 C ATOM 1450 O ILE A 95 7.497 -10.434 2.544 1.00 0.00 O ATOM 1451 CB ILE A 95 6.219 -12.931 0.681 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.520 -13.213 -0.647 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.165 -12.687 1.763 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.838 -14.581 -0.578 1.00 0.00 C ATOM 0 H ILE A 95 8.138 -12.849 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 95 6.495 -10.845 0.240 1.00 0.00 H new ATOM 0 HB ILE A 95 6.836 -13.787 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.784 -12.437 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.243 -13.195 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.532 -13.569 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.659 -12.489 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.552 -11.829 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.338 -14.786 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.586 -15.351 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.104 -14.581 0.228 1.00 0.00 H new ATOM 1466 N ILE A 96 8.672 -12.275 2.292 1.00 0.00 N ATOM 1467 CA ILE A 96 9.368 -12.070 3.589 1.00 0.00 C ATOM 1468 C ILE A 96 10.245 -10.823 3.500 1.00 0.00 C ATOM 1469 O ILE A 96 10.525 -10.184 4.487 1.00 0.00 O ATOM 1470 CB ILE A 96 10.250 -13.281 3.909 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.577 -14.570 3.416 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.466 -13.367 5.421 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.130 -14.634 3.914 1.00 0.00 C ATOM 0 H ILE A 96 8.949 -13.112 1.779 1.00 0.00 H new ATOM 0 HA ILE A 96 8.624 -11.948 4.377 1.00 0.00 H new ATOM 0 HB ILE A 96 11.210 -13.165 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.596 -14.606 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.131 -15.438 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.093 -14.228 5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.955 -12.458 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.503 -13.476 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.663 -15.552 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.119 -14.620 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.576 -13.775 3.535 1.00 0.00 H new ATOM 1485 N ALA A 97 10.679 -10.470 2.326 1.00 0.00 N ATOM 1486 CA ALA A 97 11.535 -9.260 2.197 1.00 0.00 C ATOM 1487 C ALA A 97 10.808 -8.066 2.812 1.00 0.00 C ATOM 1488 O ALA A 97 11.324 -7.395 3.683 1.00 0.00 O ATOM 1489 CB ALA A 97 11.826 -8.991 0.720 1.00 0.00 C ATOM 0 H ALA A 97 10.481 -10.962 1.455 1.00 0.00 H new ATOM 0 HA ALA A 97 12.479 -9.418 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.453 -8.104 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.344 -9.848 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.888 -8.829 0.188 1.00 0.00 H new ATOM 1495 N ALA A 98 9.611 -7.801 2.372 1.00 0.00 N ATOM 1496 CA ALA A 98 8.848 -6.652 2.937 1.00 0.00 C ATOM 1497 C ALA A 98 8.237 -7.045 4.273 1.00 0.00 C ATOM 1498 O ALA A 98 8.372 -6.344 5.256 1.00 0.00 O ATOM 1499 CB ALA A 98 7.719 -6.252 1.989 1.00 0.00 C ATOM 0 H ALA A 98 9.127 -8.329 1.646 1.00 0.00 H new ATOM 0 HA ALA A 98 9.534 -5.815 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.169 -5.412 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.138 -5.962 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.043 -7.096 1.852 1.00 0.00 H new ATOM 1505 N ALA A 99 7.547 -8.148 4.323 1.00 0.00 N ATOM 1506 CA ALA A 99 6.922 -8.547 5.601 1.00 0.00 C ATOM 1507 C ALA A 99 8.003 -8.623 6.682 1.00 0.00 C ATOM 1508 O ALA A 99 7.746 -8.367 7.841 1.00 0.00 O ATOM 1509 CB ALA A 99 6.248 -9.906 5.454 1.00 0.00 C ATOM 0 H ALA A 99 7.392 -8.782 3.539 1.00 0.00 H new ATOM 0 HA ALA A 99 6.169 -7.811 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.791 -10.190 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.480 -9.850 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.991 -10.652 5.172 1.00 0.00 H new ATOM 1515 N GLN A 100 9.223 -8.943 6.317 1.00 0.00 N ATOM 1516 CA GLN A 100 10.297 -8.976 7.350 1.00 0.00 C ATOM 1517 C GLN A 100 10.332 -7.580 7.940 1.00 0.00 C ATOM 1518 O GLN A 100 10.526 -7.382 9.123 1.00 0.00 O ATOM 1519 CB GLN A 100 11.653 -9.314 6.719 1.00 0.00 C ATOM 1520 CG GLN A 100 12.777 -8.988 7.706 1.00 0.00 C ATOM 1521 CD GLN A 100 13.863 -10.061 7.612 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.793 -9.934 6.841 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.781 -11.122 8.368 1.00 0.00 N ATOM 0 H GLN A 100 9.514 -9.178 5.368 1.00 0.00 H new ATOM 0 HA GLN A 100 10.100 -9.738 8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.687 -10.370 6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.788 -8.746 5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.199 -8.008 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.383 -8.942 8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.000 -11.228 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.498 -11.845 8.312 1.00 0.00 H new ATOM 1532 N ALA A 101 10.067 -6.612 7.109 1.00 0.00 N ATOM 1533 CA ALA A 101 9.993 -5.213 7.590 1.00 0.00 C ATOM 1534 C ALA A 101 8.633 -5.106 8.260 1.00 0.00 C ATOM 1535 O ALA A 101 8.389 -4.289 9.126 1.00 0.00 O ATOM 1536 CB ALA A 101 10.072 -4.246 6.407 1.00 0.00 C ATOM 0 H ALA A 101 9.898 -6.735 6.111 1.00 0.00 H new ATOM 0 HA ALA A 101 10.810 -4.964 8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.017 -3.220 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.014 -4.393 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.241 -4.435 5.727 1.00 0.00 H new ATOM 1542 N GLY A 102 7.763 -5.992 7.859 1.00 0.00 N ATOM 1543 CA GLY A 102 6.402 -6.071 8.431 1.00 0.00 C ATOM 1544 C GLY A 102 5.635 -4.783 8.220 1.00 0.00 C ATOM 1545 O GLY A 102 5.506 -3.985 9.127 1.00 0.00 O ATOM 0 H GLY A 102 7.953 -6.684 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.860 -6.898 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.467 -6.287 9.498 1.00 0.00 H new ATOM 1549 N ALA A 103 5.095 -4.557 7.052 1.00 0.00 N ATOM 1550 CA ALA A 103 4.333 -3.301 6.899 1.00 0.00 C ATOM 1551 C ALA A 103 2.894 -3.531 7.331 1.00 0.00 C ATOM 1552 O ALA A 103 2.604 -3.832 8.471 1.00 0.00 O ATOM 1553 CB ALA A 103 4.302 -2.964 5.414 1.00 0.00 C ATOM 0 H ALA A 103 5.148 -5.163 6.233 1.00 0.00 H new ATOM 0 HA ALA A 103 4.790 -2.510 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.746 -2.039 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.321 -2.839 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.817 -3.773 4.867 1.00 0.00 H new ATOM 1559 N SER A 104 2.010 -3.481 6.390 1.00 0.00 N ATOM 1560 CA SER A 104 0.578 -3.792 6.679 1.00 0.00 C ATOM 1561 C SER A 104 0.351 -5.273 6.424 1.00 0.00 C ATOM 1562 O SER A 104 -0.225 -5.995 7.213 1.00 0.00 O ATOM 1563 CB SER A 104 -0.363 -2.965 5.808 1.00 0.00 C ATOM 1564 OG SER A 104 -1.625 -2.861 6.456 1.00 0.00 O ATOM 0 H SER A 104 2.210 -3.237 5.420 1.00 0.00 H new ATOM 0 HA SER A 104 0.363 -3.542 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.056 -1.973 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.479 -3.433 4.831 1.00 0.00 H new ATOM 0 HG SER A 104 -2.234 -2.329 5.902 1.00 0.00 H new ATOM 1570 N GLY A 105 0.796 -5.695 5.270 1.00 0.00 N ATOM 1571 CA GLY A 105 0.626 -7.108 4.833 1.00 0.00 C ATOM 1572 C GLY A 105 1.104 -7.239 3.384 1.00 0.00 C ATOM 1573 O GLY A 105 1.756 -6.352 2.857 1.00 0.00 O ATOM 0 H GLY A 105 1.282 -5.102 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.197 -7.774 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.420 -7.404 4.913 1.00 0.00 H new ATOM 1577 N TYR A 106 0.772 -8.328 2.732 1.00 0.00 N ATOM 1578 CA TYR A 106 1.188 -8.512 1.309 1.00 0.00 C ATOM 1579 C TYR A 106 0.053 -9.152 0.528 1.00 0.00 C ATOM 1580 O TYR A 106 -0.446 -10.202 0.883 1.00 0.00 O ATOM 1581 CB TYR A 106 2.418 -9.418 1.212 1.00 0.00 C ATOM 1582 CG TYR A 106 2.149 -10.534 0.216 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.311 -10.319 -1.165 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.740 -11.794 0.676 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.063 -11.363 -2.068 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.495 -12.830 -0.230 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.657 -12.616 -1.600 1.00 0.00 C ATOM 1588 OH TYR A 106 1.416 -13.641 -2.493 1.00 0.00 O ATOM 0 H TYR A 106 0.230 -9.097 3.126 1.00 0.00 H new ATOM 0 HA TYR A 106 1.432 -7.533 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.286 -8.838 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.651 -9.838 2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.626 -9.352 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.614 -11.965 1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.186 -11.198 -3.128 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.180 -13.798 0.131 1.00 0.00 H new ATOM 0 HH TYR A 106 1.143 -14.445 -2.003 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.343 -8.528 -0.544 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.433 -9.086 -1.385 1.00 0.00 C ATOM 1600 C VAL A 107 -0.933 -9.177 -2.818 1.00 0.00 C ATOM 1601 O VAL A 107 -0.529 -8.192 -3.407 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.650 -8.161 -1.339 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.298 -6.834 -2.013 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.814 -8.818 -2.085 1.00 0.00 C ATOM 0 H VAL A 107 0.047 -7.646 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.718 -10.071 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.937 -7.981 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.162 -6.170 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.465 -6.368 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.016 -7.016 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.683 -8.161 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.529 -8.994 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.060 -9.768 -1.611 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.954 -10.340 -3.395 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.482 -10.449 -4.796 1.00 0.00 C ATOM 1616 C VAL A 108 -1.337 -9.507 -5.645 1.00 0.00 C ATOM 1617 O VAL A 108 -2.057 -8.683 -5.124 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.647 -11.889 -5.295 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.716 -12.459 -5.695 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.252 -12.750 -4.185 1.00 0.00 C ATOM 0 H VAL A 108 -1.273 -11.208 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 108 0.572 -10.181 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.308 -11.893 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.593 -13.483 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.146 -11.850 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.381 -12.451 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.369 -13.774 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.593 -12.741 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.226 -12.350 -3.905 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.281 -9.614 -6.936 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.116 -8.708 -7.779 1.00 0.00 C ATOM 1632 C LYS A 109 -2.179 -9.263 -9.216 1.00 0.00 C ATOM 1633 O LYS A 109 -1.268 -9.953 -9.629 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.488 -7.303 -7.764 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.727 -7.017 -9.066 1.00 0.00 C ATOM 1636 CD LYS A 109 0.071 -5.720 -8.909 1.00 0.00 C ATOM 1637 CE LYS A 109 0.522 -5.226 -10.285 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.458 -6.217 -10.886 1.00 0.00 N ATOM 0 H LYS A 109 -0.701 -10.280 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.131 -8.649 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.269 -6.555 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.808 -7.215 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.057 -7.844 -9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.426 -6.929 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.541 -4.961 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.938 -5.889 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.342 -5.086 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.012 -4.257 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.099 -5.733 -11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.014 -6.670 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.915 -6.941 -11.399 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.217 -8.928 -9.965 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.356 -8.090 -9.512 1.00 0.00 C ATOM 1654 C PRO A 110 -5.263 -8.886 -8.564 1.00 0.00 C ATOM 1655 O PRO A 110 -5.225 -10.101 -8.537 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.134 -7.767 -10.795 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.417 -8.474 -11.972 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.297 -9.340 -11.377 1.00 0.00 C ATOM 0 HA PRO A 110 -4.019 -7.201 -8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.165 -8.111 -10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.169 -6.690 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.119 -9.089 -12.535 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.007 -7.741 -12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.527 -10.402 -11.467 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.351 -9.173 -11.892 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.075 -8.208 -7.790 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.989 -8.916 -6.840 1.00 0.00 C ATOM 1668 C PHE A 111 -8.414 -8.429 -7.038 1.00 0.00 C ATOM 1669 O PHE A 111 -8.660 -7.401 -7.637 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.587 -8.602 -5.390 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.155 -7.157 -5.284 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.084 -6.117 -5.457 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.815 -6.856 -5.044 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.657 -4.789 -5.387 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.390 -5.528 -4.982 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.311 -4.492 -5.156 1.00 0.00 C ATOM 0 H PHE A 111 -6.144 -7.190 -7.775 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.918 -9.987 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.426 -8.791 -4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.775 -9.259 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.123 -6.344 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.102 -7.655 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.370 -3.988 -5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.350 -5.301 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.984 -3.464 -5.112 1.00 0.00 H new ATOM 1686 N THR A 112 -9.351 -9.138 -6.488 1.00 0.00 N ATOM 1687 CA THR A 112 -10.764 -8.701 -6.575 1.00 0.00 C ATOM 1688 C THR A 112 -11.066 -7.926 -5.295 1.00 0.00 C ATOM 1689 O THR A 112 -10.523 -8.223 -4.248 1.00 0.00 O ATOM 1690 CB THR A 112 -11.681 -9.920 -6.673 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.951 -11.021 -7.194 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.856 -9.600 -7.598 1.00 0.00 C ATOM 0 H THR A 112 -9.198 -10.008 -5.978 1.00 0.00 H new ATOM 0 HA THR A 112 -10.929 -8.082 -7.457 1.00 0.00 H new ATOM 0 HB THR A 112 -12.058 -10.173 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.538 -11.803 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.511 -10.469 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.416 -8.755 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.480 -9.347 -8.589 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.897 -6.927 -5.359 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.194 -6.144 -4.128 1.00 0.00 C ATOM 1702 C ALA A 113 -12.478 -7.096 -2.973 1.00 0.00 C ATOM 1703 O ALA A 113 -12.279 -6.763 -1.825 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.408 -5.241 -4.368 1.00 0.00 C ATOM 0 H ALA A 113 -12.381 -6.619 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.333 -5.524 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.621 -4.670 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.195 -4.556 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.273 -5.854 -4.622 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.920 -8.287 -3.259 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.185 -9.247 -2.158 1.00 0.00 C ATOM 1712 C ALA A 114 -11.849 -9.692 -1.571 1.00 0.00 C ATOM 1713 O ALA A 114 -11.709 -9.854 -0.376 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.951 -10.460 -2.691 1.00 0.00 C ATOM 0 H ALA A 114 -13.108 -8.634 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.790 -8.769 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.140 -11.158 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.900 -10.133 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.359 -10.954 -3.461 1.00 0.00 H new ATOM 1720 N THR A 115 -10.856 -9.870 -2.398 1.00 0.00 N ATOM 1721 CA THR A 115 -9.530 -10.278 -1.869 1.00 0.00 C ATOM 1722 C THR A 115 -8.951 -9.107 -1.077 1.00 0.00 C ATOM 1723 O THR A 115 -8.776 -9.197 0.122 1.00 0.00 O ATOM 1724 CB THR A 115 -8.594 -10.643 -3.019 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.184 -10.243 -4.244 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.362 -12.154 -3.031 1.00 0.00 C ATOM 0 H THR A 115 -10.907 -9.751 -3.410 1.00 0.00 H new ATOM 0 HA THR A 115 -9.638 -11.151 -1.226 1.00 0.00 H new ATOM 0 HB THR A 115 -7.639 -10.134 -2.889 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.328 -9.274 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.694 -12.413 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.912 -12.461 -2.087 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.315 -12.667 -3.163 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.659 -7.998 -1.717 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.112 -6.851 -0.945 1.00 0.00 C ATOM 1736 C LEU A 116 -8.997 -6.594 0.280 1.00 0.00 C ATOM 1737 O LEU A 116 -8.511 -6.288 1.350 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.090 -5.600 -1.822 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.906 -4.707 -1.417 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.576 -5.366 -1.807 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.020 -3.351 -2.119 1.00 0.00 C ATOM 0 H LEU A 116 -8.775 -7.845 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.097 -7.085 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.004 -5.881 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.026 -5.052 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.930 -4.569 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.749 -4.719 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.484 -6.327 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.549 -5.521 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.180 -2.720 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.009 -3.498 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.953 -2.868 -1.828 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.294 -6.710 0.135 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.190 -6.465 1.296 1.00 0.00 C ATOM 1755 C GLU A 117 -10.937 -7.518 2.375 1.00 0.00 C ATOM 1756 O GLU A 117 -10.499 -7.211 3.467 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.653 -6.537 0.851 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.565 -6.443 2.076 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.985 -6.088 1.630 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.428 -6.642 0.636 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.606 -5.270 2.288 1.00 0.00 O ATOM 0 H GLU A 117 -10.765 -6.963 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.983 -5.473 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.873 -5.726 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.837 -7.470 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.568 -7.391 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.189 -5.687 2.765 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.216 -8.755 2.076 1.00 0.00 N ATOM 1769 CA GLU A 118 -11.001 -9.840 3.075 1.00 0.00 C ATOM 1770 C GLU A 118 -9.639 -9.658 3.746 1.00 0.00 C ATOM 1771 O GLU A 118 -9.479 -9.909 4.924 1.00 0.00 O ATOM 1772 CB GLU A 118 -11.046 -11.198 2.371 1.00 0.00 C ATOM 1773 CG GLU A 118 -12.497 -11.673 2.267 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.659 -12.551 1.026 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.027 -13.593 0.975 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -13.412 -12.168 0.146 1.00 0.00 O ATOM 0 H GLU A 118 -11.586 -9.064 1.177 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.785 -9.796 3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.606 -11.119 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.453 -11.926 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.772 -12.234 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.168 -10.816 2.209 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.656 -9.220 3.009 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.310 -9.020 3.612 1.00 0.00 C ATOM 1785 C LYS A 119 -7.323 -7.745 4.457 1.00 0.00 C ATOM 1786 O LYS A 119 -6.607 -7.626 5.431 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.263 -8.891 2.504 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.282 -10.061 2.595 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.195 -9.902 1.530 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.667 -11.281 1.130 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.732 -12.199 2.302 1.00 0.00 N ATOM 0 H LYS A 119 -8.727 -8.993 2.017 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.061 -9.874 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.749 -8.884 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.729 -7.946 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.831 -10.095 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.810 -11.004 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.598 -9.388 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.381 -9.287 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.258 -11.683 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.640 -11.200 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.037 -12.964 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.518 -11.669 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.686 -12.606 2.371 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.137 -6.791 4.094 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.199 -5.527 4.879 1.00 0.00 C ATOM 1807 C LEU A 120 -8.772 -5.824 6.267 1.00 0.00 C ATOM 1808 O LEU A 120 -8.160 -5.542 7.273 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.106 -4.522 4.163 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.587 -3.095 4.399 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.266 -2.870 3.653 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.625 -2.087 3.899 1.00 0.00 C ATOM 0 H LEU A 120 -8.761 -6.833 3.288 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.197 -5.108 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.132 -4.738 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.128 -4.613 4.531 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.416 -2.959 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.915 -1.854 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.520 -3.580 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.422 -3.016 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.258 -1.074 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.797 -2.240 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.560 -2.228 4.441 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.947 -6.386 6.325 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.565 -6.694 7.646 1.00 0.00 C ATOM 1826 C ASN A 121 -9.597 -7.509 8.507 1.00 0.00 C ATOM 1827 O ASN A 121 -9.467 -7.283 9.694 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.850 -7.497 7.429 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.898 -7.076 8.462 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.561 -6.609 9.531 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.165 -7.223 8.185 1.00 0.00 N ATOM 0 H ASN A 121 -10.507 -6.646 5.513 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.793 -5.759 8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.230 -7.329 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.644 -8.564 7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.872 -6.946 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.449 -7.615 7.287 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.924 -8.459 7.923 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.973 -9.292 8.715 1.00 0.00 C ATOM 1840 C LYS A 122 -6.786 -8.434 9.163 1.00 0.00 C ATOM 1841 O LYS A 122 -6.164 -8.700 10.173 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.465 -10.453 7.848 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.651 -11.792 8.576 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.665 -11.889 9.745 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.013 -13.105 10.607 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.993 -12.706 11.658 1.00 0.00 N ATOM 0 H LYS A 122 -8.990 -8.696 6.933 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.485 -9.688 9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.004 -10.470 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.411 -10.304 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.674 -11.878 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.490 -12.618 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.646 -11.976 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.706 -10.980 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.432 -13.896 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.111 -13.506 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.230 -13.532 12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.577 -11.965 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.857 -12.343 11.207 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.465 -7.408 8.423 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.316 -6.542 8.812 1.00 0.00 C ATOM 1862 C ILE A 123 -5.777 -5.513 9.845 1.00 0.00 C ATOM 1863 O ILE A 123 -5.110 -5.268 10.830 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.785 -5.807 7.576 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.775 -6.698 6.849 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.098 -4.502 8.001 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.566 -6.175 5.427 1.00 0.00 C ATOM 0 H ILE A 123 -6.948 -7.132 7.568 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.527 -7.163 9.238 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.617 -5.576 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.828 -6.707 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.135 -7.726 6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.723 -3.984 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.815 -3.865 8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.267 -4.729 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.847 -6.809 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.515 -6.189 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.187 -5.154 5.467 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.899 -4.894 9.615 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.386 -3.867 10.567 1.00 0.00 C ATOM 1881 C PHE A 124 -7.727 -4.512 11.909 1.00 0.00 C ATOM 1882 O PHE A 124 -7.650 -3.880 12.945 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.618 -3.178 9.985 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.163 -2.045 9.102 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.528 -2.323 7.887 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.362 -0.718 9.500 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.092 -1.276 7.069 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.928 0.330 8.681 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.293 0.050 7.465 1.00 0.00 C ATOM 0 H PHE A 124 -7.499 -5.057 8.807 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.603 -3.126 10.729 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.213 -3.889 9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.255 -2.801 10.786 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.374 -3.347 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.850 -0.503 10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.600 -1.491 6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.083 1.354 8.987 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.958 0.859 6.832 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.091 -5.764 11.911 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.415 -6.425 13.203 1.00 0.00 C ATOM 1901 C GLU A 125 -7.258 -6.181 14.169 1.00 0.00 C ATOM 1902 O GLU A 125 -7.438 -6.102 15.367 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.599 -7.928 12.985 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.736 -8.437 13.872 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.883 -9.950 13.697 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.941 -10.393 12.561 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.936 -10.641 14.701 1.00 0.00 O ATOM 0 H GLU A 125 -8.177 -6.352 11.082 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.339 -6.017 13.612 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.823 -8.130 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.675 -8.456 13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.531 -8.199 14.916 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.668 -7.938 13.608 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.072 -6.041 13.646 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.899 -5.778 14.521 1.00 0.00 C ATOM 1916 C LYS A 126 -4.767 -4.268 14.718 1.00 0.00 C ATOM 1917 O LYS A 126 -4.162 -3.804 15.664 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.632 -6.323 13.858 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.839 -7.794 13.494 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.557 -8.578 13.782 1.00 0.00 C ATOM 1921 CE LYS A 126 -2.594 -9.911 13.033 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.868 -9.775 11.739 1.00 0.00 N ATOM 0 H LYS A 126 -5.865 -6.098 12.649 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.034 -6.269 15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.400 -5.745 12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.783 -6.221 14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.668 -8.208 14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.104 -7.885 12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.687 -7.999 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.458 -8.753 14.853 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.136 -10.693 13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.626 -10.211 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.893 -10.681 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.324 -9.040 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.880 -9.508 11.922 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.340 -3.497 13.831 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.261 -2.016 13.967 1.00 0.00 C ATOM 1938 C LEU A 127 -6.303 -1.557 14.988 1.00 0.00 C ATOM 1939 O LEU A 127 -6.168 -0.518 15.603 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.547 -1.353 12.611 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.286 0.155 12.700 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.342 0.578 11.574 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -6.613 0.906 12.557 1.00 0.00 C ATOM 0 H LEU A 127 -5.859 -3.831 13.019 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.263 -1.731 14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.915 -1.795 11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.581 -1.535 12.319 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.831 0.390 13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.157 1.650 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.398 0.041 11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.797 0.345 10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.432 1.979 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.063 0.669 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.290 0.605 13.357 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.344 -2.330 15.173 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.394 -1.951 16.151 1.00 0.00 C ATOM 1957 C GLY A 128 -9.766 -2.361 15.613 1.00 0.00 C ATOM 1958 O GLY A 128 -10.603 -2.862 16.337 1.00 0.00 O ATOM 0 H GLY A 128 -7.507 -3.210 14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.207 -2.438 17.108 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.368 -0.876 16.330 1.00 0.00 H new ATOM 1962 N MET A 129 -10.003 -2.152 14.348 1.00 0.00 N ATOM 1963 CA MET A 129 -11.316 -2.526 13.762 1.00 0.00 C ATOM 1964 C MET A 129 -11.255 -3.966 13.248 1.00 0.00 C ATOM 1965 O MET A 129 -10.482 -4.217 12.338 1.00 0.00 O ATOM 1966 CB MET A 129 -11.638 -1.585 12.601 1.00 0.00 C ATOM 1967 CG MET A 129 -10.831 -0.294 12.742 1.00 0.00 C ATOM 1968 SD MET A 129 -11.068 0.390 14.401 1.00 0.00 S ATOM 1969 CE MET A 129 -10.894 2.134 13.954 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.983 -4.793 13.772 1.00 0.00 O ATOM 0 H MET A 129 -9.340 -1.736 13.694 1.00 0.00 H new ATOM 0 HA MET A 129 -12.091 -2.446 14.524 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.404 -2.069 11.653 1.00 0.00 H new ATOM 0 HB3 MET A 129 -12.704 -1.359 12.589 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.774 -0.493 12.567 1.00 0.00 H new ATOM 0 HG3 MET A 129 -11.148 0.429 11.991 1.00 0.00 H new ATOM 0 HE1 MET A 129 -11.007 2.751 14.845 1.00 0.00 H new ATOM 0 HE2 MET A 129 -9.909 2.302 13.519 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.661 2.402 13.228 1.00 0.00 H new