USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 56 GLN : amide:sc= -4.19! C(o=-4.2!,f=-8.3!) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0123 USER MOD Set 2.1: A 47 GLN : amide:sc= -1.44 K(o=-2.9,f=-1.5) USER MOD Set 2.2: A 49 ASN : amide:sc= -1.45! C(o=-2.9!,f=-2.6!) USER MOD Set 3.1: A 30 MET CE :methyl -168:sc= -1.25 (180deg=-1.58) USER MOD Set 3.2: A 72 MET CE :methyl -131:sc= -1.72 (180deg=-3.69!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.102 USER MOD Single : A 10 SER OG : rot -32:sc= 0.409 USER MOD Single : A 12 ASN : amide:sc= -0.291 K(o=-0.29,f=-4.4!) USER MOD Single : A 13 THR OG1 : rot -150:sc= 0.202 USER MOD Single : A 14 TYR OH : rot -169:sc= 0.074 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -14:sc= 0.145 USER MOD Single : A 23 GLN : amide:sc= -0.968 K(o=-0.97,f=0) USER MOD Single : A 26 MET CE :methyl -174:sc= -0.638 (180deg=-0.739) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -56:sc= 1.21 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.55) USER MOD Single : A 71 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 9.836 2.353 -15.934 1.00 0.00 N ATOM 2 CA MET A 4 10.224 3.749 -15.876 1.00 0.00 C ATOM 3 C MET A 4 9.115 4.544 -15.197 1.00 0.00 C ATOM 4 O MET A 4 7.959 4.135 -15.239 1.00 0.00 O ATOM 5 CB MET A 4 10.494 4.288 -17.286 1.00 0.00 C ATOM 6 CG MET A 4 11.161 5.642 -17.330 1.00 0.00 C ATOM 7 SD MET A 4 11.640 6.122 -18.992 1.00 0.00 S ATOM 8 CE MET A 4 12.481 7.658 -18.664 1.00 0.00 C ATOM 0 HA MET A 4 11.143 3.850 -15.299 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.120 3.573 -17.819 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.548 4.347 -17.824 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.482 6.391 -16.921 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.044 5.629 -16.691 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.840 8.084 -19.601 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.792 8.356 -18.189 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.327 7.475 -18.001 1.00 0.00 H new ATOM 18 N ARG A 5 9.459 5.634 -14.539 1.00 0.00 N ATOM 19 CA ARG A 5 8.503 6.395 -13.741 1.00 0.00 C ATOM 20 C ARG A 5 7.411 6.993 -14.617 1.00 0.00 C ATOM 21 O ARG A 5 6.228 6.856 -14.341 1.00 0.00 O ATOM 22 CB ARG A 5 9.188 7.512 -12.963 1.00 0.00 C ATOM 23 CG ARG A 5 9.924 7.081 -11.698 1.00 0.00 C ATOM 24 CD ARG A 5 11.090 6.145 -11.987 1.00 0.00 C ATOM 25 NE ARG A 5 10.679 4.735 -11.936 1.00 0.00 N ATOM 26 CZ ARG A 5 11.484 3.706 -12.211 1.00 0.00 C ATOM 27 NH1 ARG A 5 12.759 3.920 -12.568 1.00 0.00 N ATOM 28 NH2 ARG A 5 11.016 2.460 -12.120 1.00 0.00 N ATOM 0 H ARG A 5 10.403 6.020 -14.539 1.00 0.00 H new ATOM 0 HA ARG A 5 8.055 5.696 -13.034 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.899 8.007 -13.624 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.437 8.253 -12.690 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.293 7.965 -11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.223 6.585 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.501 6.369 -12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.885 6.319 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 5 9.715 4.529 -11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.118 4.873 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.370 3.130 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.048 2.298 -11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.626 1.670 -12.329 1.00 0.00 H new ATOM 42 N SER A 6 7.838 7.609 -15.705 1.00 0.00 N ATOM 43 CA SER A 6 6.941 8.336 -16.590 1.00 0.00 C ATOM 44 C SER A 6 6.082 7.392 -17.436 1.00 0.00 C ATOM 45 O SER A 6 5.312 7.839 -18.286 1.00 0.00 O ATOM 46 CB SER A 6 7.773 9.260 -17.478 1.00 0.00 C ATOM 47 OG SER A 6 9.019 8.658 -17.788 1.00 0.00 O ATOM 0 H SER A 6 8.814 7.620 -16.001 1.00 0.00 H new ATOM 0 HA SER A 6 6.251 8.924 -15.986 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.229 9.479 -18.397 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.937 10.211 -16.971 1.00 0.00 H new ATOM 0 HG SER A 6 9.540 9.260 -18.359 1.00 0.00 H new ATOM 53 N GLU A 7 6.193 6.090 -17.186 1.00 0.00 N ATOM 54 CA GLU A 7 5.360 5.099 -17.877 1.00 0.00 C ATOM 55 C GLU A 7 3.972 5.050 -17.251 1.00 0.00 C ATOM 56 O GLU A 7 3.009 4.609 -17.872 1.00 0.00 O ATOM 57 CB GLU A 7 6.014 3.714 -17.832 1.00 0.00 C ATOM 58 CG GLU A 7 7.243 3.594 -18.727 1.00 0.00 C ATOM 59 CD GLU A 7 6.899 3.751 -20.193 1.00 0.00 C ATOM 60 OE1 GLU A 7 6.587 2.730 -20.847 1.00 0.00 O ATOM 61 OE2 GLU A 7 6.920 4.884 -20.697 1.00 0.00 O ATOM 0 H GLU A 7 6.849 5.693 -16.513 1.00 0.00 H new ATOM 0 HA GLU A 7 5.265 5.398 -18.921 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.299 3.488 -16.804 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.281 2.965 -18.132 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.973 4.352 -18.443 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.713 2.624 -18.568 1.00 0.00 H new ATOM 68 N PHE A 8 3.880 5.538 -16.009 1.00 0.00 N ATOM 69 CA PHE A 8 2.609 5.597 -15.304 1.00 0.00 C ATOM 70 C PHE A 8 1.783 6.782 -15.794 1.00 0.00 C ATOM 71 O PHE A 8 2.297 7.671 -16.479 1.00 0.00 O ATOM 72 CB PHE A 8 2.835 5.694 -13.802 1.00 0.00 C ATOM 73 CG PHE A 8 3.399 4.439 -13.202 1.00 0.00 C ATOM 74 CD1 PHE A 8 4.746 4.119 -13.365 1.00 0.00 C ATOM 75 CD2 PHE A 8 2.582 3.591 -12.471 1.00 0.00 C ATOM 76 CE1 PHE A 8 5.258 2.973 -12.811 1.00 0.00 C ATOM 77 CE2 PHE A 8 3.108 2.435 -11.921 1.00 0.00 C ATOM 78 CZ PHE A 8 4.440 2.126 -12.090 1.00 0.00 C ATOM 0 H PHE A 8 4.674 5.896 -15.478 1.00 0.00 H new ATOM 0 HA PHE A 8 2.058 4.680 -15.511 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.513 6.523 -13.597 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.889 5.928 -13.314 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.390 4.777 -13.930 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.538 3.831 -12.331 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.303 2.733 -12.939 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.470 1.771 -11.356 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.844 1.222 -11.659 1.00 0.00 H new ATOM 88 N ALA A 9 0.499 6.808 -15.432 1.00 0.00 N ATOM 89 CA ALA A 9 -0.430 7.830 -15.894 1.00 0.00 C ATOM 90 C ALA A 9 0.092 9.243 -15.687 1.00 0.00 C ATOM 91 O ALA A 9 0.018 10.096 -16.572 1.00 0.00 O ATOM 92 CB ALA A 9 -1.787 7.661 -15.223 1.00 0.00 C ATOM 0 H ALA A 9 0.078 6.118 -14.810 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.539 7.690 -16.969 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.468 8.433 -15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.193 6.679 -15.465 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.672 7.750 -14.143 1.00 0.00 H new ATOM 98 N SER A 10 0.622 9.500 -14.510 1.00 0.00 N ATOM 99 CA SER A 10 1.113 10.817 -14.162 1.00 0.00 C ATOM 100 C SER A 10 2.623 10.774 -13.888 1.00 0.00 C ATOM 101 O SER A 10 3.242 11.804 -13.602 1.00 0.00 O ATOM 102 CB SER A 10 0.347 11.339 -12.948 1.00 0.00 C ATOM 103 OG SER A 10 0.723 12.673 -12.624 1.00 0.00 O ATOM 0 H SER A 10 0.725 8.805 -13.770 1.00 0.00 H new ATOM 0 HA SER A 10 0.950 11.497 -14.998 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.724 11.301 -13.149 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.534 10.690 -12.093 1.00 0.00 H new ATOM 0 HG SER A 10 1.665 12.813 -12.856 1.00 0.00 H new ATOM 109 N GLY A 11 3.223 9.583 -14.006 1.00 0.00 N ATOM 110 CA GLY A 11 4.645 9.411 -13.674 1.00 0.00 C ATOM 111 C GLY A 11 4.885 9.351 -12.179 1.00 0.00 C ATOM 112 O GLY A 11 5.461 8.393 -11.652 1.00 0.00 O ATOM 0 H GLY A 11 2.755 8.734 -14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.015 8.496 -14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.217 10.236 -14.098 1.00 0.00 H new ATOM 116 N ASN A 12 4.414 10.388 -11.494 1.00 0.00 N ATOM 117 CA ASN A 12 4.461 10.460 -10.032 1.00 0.00 C ATOM 118 C ASN A 12 3.711 9.276 -9.428 1.00 0.00 C ATOM 119 O ASN A 12 3.965 8.887 -8.289 1.00 0.00 O ATOM 120 CB ASN A 12 3.843 11.765 -9.528 1.00 0.00 C ATOM 121 CG ASN A 12 4.510 12.998 -10.092 1.00 0.00 C ATOM 122 OD1 ASN A 12 5.012 13.014 -11.217 1.00 0.00 O ATOM 123 ND2 ASN A 12 4.543 14.063 -9.303 1.00 0.00 N ATOM 0 H ASN A 12 3.988 11.204 -11.934 1.00 0.00 H new ATOM 0 HA ASN A 12 5.506 10.428 -9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.784 11.782 -9.788 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.905 11.792 -8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.991 14.921 -9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.120 14.024 -8.376 1.00 0.00 H new ATOM 130 N THR A 13 2.765 8.750 -10.220 1.00 0.00 N ATOM 131 CA THR A 13 1.926 7.622 -9.829 1.00 0.00 C ATOM 132 C THR A 13 2.751 6.460 -9.278 1.00 0.00 C ATOM 133 O THR A 13 2.294 5.708 -8.437 1.00 0.00 O ATOM 134 CB THR A 13 1.086 7.140 -11.024 1.00 0.00 C ATOM 135 OG1 THR A 13 0.613 8.284 -11.761 1.00 0.00 O ATOM 136 CG2 THR A 13 -0.091 6.313 -10.550 1.00 0.00 C ATOM 0 H THR A 13 2.564 9.103 -11.156 1.00 0.00 H new ATOM 0 HA THR A 13 1.266 7.971 -9.035 1.00 0.00 H new ATOM 0 HB THR A 13 1.707 6.516 -11.667 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.245 8.069 -12.183 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.673 5.982 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.272 5.444 -10.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.721 6.917 -9.897 1.00 0.00 H new ATOM 144 N TYR A 14 3.975 6.318 -9.774 1.00 0.00 N ATOM 145 CA TYR A 14 4.885 5.295 -9.283 1.00 0.00 C ATOM 146 C TYR A 14 5.197 5.535 -7.801 1.00 0.00 C ATOM 147 O TYR A 14 5.006 4.656 -6.952 1.00 0.00 O ATOM 148 CB TYR A 14 6.168 5.291 -10.114 1.00 0.00 C ATOM 149 CG TYR A 14 7.177 4.268 -9.655 1.00 0.00 C ATOM 150 CD1 TYR A 14 6.951 2.908 -9.831 1.00 0.00 C ATOM 151 CD2 TYR A 14 8.359 4.664 -9.056 1.00 0.00 C ATOM 152 CE1 TYR A 14 7.879 1.979 -9.408 1.00 0.00 C ATOM 153 CE2 TYR A 14 9.294 3.744 -8.629 1.00 0.00 C ATOM 154 CZ TYR A 14 9.043 2.402 -8.805 1.00 0.00 C ATOM 155 OH TYR A 14 9.952 1.469 -8.387 1.00 0.00 O ATOM 0 H TYR A 14 4.359 6.901 -10.518 1.00 0.00 H new ATOM 0 HA TYR A 14 4.410 4.319 -9.380 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.916 5.099 -11.157 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.622 6.281 -10.073 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.039 2.575 -10.304 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.554 5.717 -8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.694 0.924 -9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.211 4.072 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 14 10.636 1.903 -7.835 1.00 0.00 H new ATOM 165 N ALA A 15 5.669 6.749 -7.513 1.00 0.00 N ATOM 166 CA ALA A 15 5.983 7.152 -6.144 1.00 0.00 C ATOM 167 C ALA A 15 4.745 7.158 -5.274 1.00 0.00 C ATOM 168 O ALA A 15 4.816 6.929 -4.073 1.00 0.00 O ATOM 169 CB ALA A 15 6.616 8.547 -6.146 1.00 0.00 C ATOM 0 H ALA A 15 5.842 7.471 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 15 6.686 6.428 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.848 8.843 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.533 8.530 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.918 9.263 -6.581 1.00 0.00 H new ATOM 175 N LEU A 16 3.607 7.423 -5.894 1.00 0.00 N ATOM 176 CA LEU A 16 2.341 7.480 -5.193 1.00 0.00 C ATOM 177 C LEU A 16 1.888 6.070 -4.827 1.00 0.00 C ATOM 178 O LEU A 16 1.357 5.831 -3.741 1.00 0.00 O ATOM 179 CB LEU A 16 1.272 8.168 -6.060 1.00 0.00 C ATOM 180 CG LEU A 16 -0.099 8.358 -5.383 1.00 0.00 C ATOM 181 CD1 LEU A 16 0.024 9.239 -4.156 1.00 0.00 C ATOM 182 CD2 LEU A 16 -1.090 8.954 -6.375 1.00 0.00 C ATOM 0 H LEU A 16 3.538 7.604 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 16 2.474 8.063 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.648 9.145 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.133 7.583 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.467 7.384 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.956 9.359 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.707 8.777 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.410 10.216 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.057 9.085 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.723 9.921 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.200 8.283 -7.227 1.00 0.00 H new ATOM 194 N TYR A 17 2.118 5.135 -5.746 1.00 0.00 N ATOM 195 CA TYR A 17 1.780 3.737 -5.535 1.00 0.00 C ATOM 196 C TYR A 17 2.618 3.146 -4.410 1.00 0.00 C ATOM 197 O TYR A 17 2.082 2.562 -3.459 1.00 0.00 O ATOM 198 CB TYR A 17 1.983 2.940 -6.839 1.00 0.00 C ATOM 199 CG TYR A 17 1.615 1.471 -6.725 1.00 0.00 C ATOM 200 CD1 TYR A 17 2.533 0.540 -6.241 1.00 0.00 C ATOM 201 CD2 TYR A 17 0.366 1.017 -7.099 1.00 0.00 C ATOM 202 CE1 TYR A 17 2.196 -0.794 -6.143 1.00 0.00 C ATOM 203 CE2 TYR A 17 0.027 -0.322 -7.004 1.00 0.00 C ATOM 204 CZ TYR A 17 0.949 -1.222 -6.517 1.00 0.00 C ATOM 205 OH TYR A 17 0.632 -2.552 -6.414 1.00 0.00 O ATOM 0 H TYR A 17 2.542 5.328 -6.653 1.00 0.00 H new ATOM 0 HA TYR A 17 0.731 3.672 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.384 3.394 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.026 3.021 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.517 0.866 -5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.362 1.721 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.918 -1.505 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.953 -0.658 -7.309 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.289 -2.693 -6.717 1.00 0.00 H new ATOM 215 N VAL A 18 3.931 3.297 -4.525 1.00 0.00 N ATOM 216 CA VAL A 18 4.853 2.717 -3.569 1.00 0.00 C ATOM 217 C VAL A 18 4.609 3.260 -2.165 1.00 0.00 C ATOM 218 O VAL A 18 4.690 2.509 -1.190 1.00 0.00 O ATOM 219 CB VAL A 18 6.337 2.906 -3.988 1.00 0.00 C ATOM 220 CG1 VAL A 18 6.622 2.146 -5.268 1.00 0.00 C ATOM 221 CG2 VAL A 18 6.694 4.374 -4.151 1.00 0.00 C ATOM 0 H VAL A 18 4.379 3.820 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 18 4.659 1.645 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 18 6.960 2.504 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.665 2.287 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.429 1.085 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.977 2.519 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.740 4.464 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.062 4.819 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.536 4.894 -3.206 1.00 0.00 H new ATOM 231 N ARG A 19 4.281 4.545 -2.053 1.00 0.00 N ATOM 232 CA ARG A 19 4.019 5.171 -0.761 1.00 0.00 C ATOM 233 C ARG A 19 2.889 4.446 -0.027 1.00 0.00 C ATOM 234 O ARG A 19 2.852 4.432 1.211 1.00 0.00 O ATOM 235 CB ARG A 19 3.672 6.655 -0.944 1.00 0.00 C ATOM 236 CG ARG A 19 3.884 7.517 0.302 1.00 0.00 C ATOM 237 CD ARG A 19 2.585 7.999 0.913 1.00 0.00 C ATOM 238 NE ARG A 19 1.871 6.941 1.625 1.00 0.00 N ATOM 239 CZ ARG A 19 0.800 7.140 2.383 1.00 0.00 C ATOM 240 NH1 ARG A 19 0.255 8.347 2.470 1.00 0.00 N ATOM 241 NH2 ARG A 19 0.242 6.104 3.007 1.00 0.00 N ATOM 0 H ARG A 19 4.190 5.177 -2.849 1.00 0.00 H new ATOM 0 HA ARG A 19 4.923 5.097 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.277 7.059 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.630 6.736 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.438 6.943 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.499 8.379 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.794 8.818 1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.945 8.399 0.127 1.00 0.00 H new ATOM 0 HE ARG A 19 2.219 5.987 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.659 9.128 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.568 8.494 3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.638 5.170 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.581 6.244 3.592 1.00 0.00 H new ATOM 255 N ASP A 20 1.977 3.853 -0.778 1.00 0.00 N ATOM 256 CA ASP A 20 0.837 3.159 -0.207 1.00 0.00 C ATOM 257 C ASP A 20 1.230 1.816 0.391 1.00 0.00 C ATOM 258 O ASP A 20 0.930 1.528 1.551 1.00 0.00 O ATOM 259 CB ASP A 20 -0.232 2.946 -1.283 1.00 0.00 C ATOM 260 CG ASP A 20 -1.282 1.931 -0.887 1.00 0.00 C ATOM 261 OD1 ASP A 20 -2.296 2.335 -0.260 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.108 0.743 -1.205 1.00 0.00 O ATOM 0 H ASP A 20 2.006 3.839 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 20 0.442 3.780 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.718 3.898 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.250 2.620 -2.205 1.00 0.00 H new ATOM 267 N THR A 21 1.906 1.001 -0.396 1.00 0.00 N ATOM 268 CA THR A 21 2.217 -0.369 -0.006 1.00 0.00 C ATOM 269 C THR A 21 3.469 -0.439 0.861 1.00 0.00 C ATOM 270 O THR A 21 3.583 -1.294 1.748 1.00 0.00 O ATOM 271 CB THR A 21 2.386 -1.251 -1.261 1.00 0.00 C ATOM 272 OG1 THR A 21 1.269 -1.062 -2.138 1.00 0.00 O ATOM 273 CG2 THR A 21 2.490 -2.719 -0.881 1.00 0.00 C ATOM 0 H THR A 21 2.255 1.263 -1.318 1.00 0.00 H new ATOM 0 HA THR A 21 1.384 -0.743 0.589 1.00 0.00 H new ATOM 0 HB THR A 21 3.306 -0.957 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.551 -0.600 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.608 -3.321 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.352 -2.866 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.584 -3.024 -0.357 1.00 0.00 H new ATOM 281 N LEU A 22 4.409 0.464 0.617 1.00 0.00 N ATOM 282 CA LEU A 22 5.686 0.457 1.315 1.00 0.00 C ATOM 283 C LEU A 22 5.501 0.815 2.791 1.00 0.00 C ATOM 284 O LEU A 22 5.377 1.982 3.146 1.00 0.00 O ATOM 285 CB LEU A 22 6.677 1.435 0.656 1.00 0.00 C ATOM 286 CG LEU A 22 8.096 1.416 1.193 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.710 0.044 1.025 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.939 2.475 0.496 1.00 0.00 C ATOM 0 H LEU A 22 4.309 1.216 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 22 6.096 -0.551 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.712 1.219 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.284 2.446 0.764 1.00 0.00 H new ATOM 0 HG LEU A 22 8.068 1.646 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.727 0.050 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.116 -0.690 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.729 -0.219 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.954 2.450 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.962 2.275 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.505 3.459 0.672 1.00 0.00 H new ATOM 300 N GLN A 23 5.418 -0.215 3.621 1.00 0.00 N ATOM 301 CA GLN A 23 5.308 -0.050 5.048 1.00 0.00 C ATOM 302 C GLN A 23 6.694 -0.097 5.686 1.00 0.00 C ATOM 303 O GLN A 23 7.665 -0.503 5.046 1.00 0.00 O ATOM 304 CB GLN A 23 4.430 -1.141 5.639 1.00 0.00 C ATOM 305 CG GLN A 23 2.969 -1.050 5.230 1.00 0.00 C ATOM 306 CD GLN A 23 2.106 -2.076 5.968 1.00 0.00 C ATOM 307 OE1 GLN A 23 0.911 -1.854 6.183 1.00 0.00 O ATOM 308 NE2 GLN A 23 2.711 -3.169 6.369 1.00 0.00 N ATOM 0 H GLN A 23 5.426 -1.188 3.315 1.00 0.00 H new ATOM 0 HA GLN A 23 4.852 0.918 5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.821 -2.112 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.496 -1.096 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.596 -0.047 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.882 -1.208 4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.701 -3.307 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.191 -3.881 6.883 1.00 0.00 H new ATOM 317 N PRO A 24 6.808 0.298 6.965 1.00 0.00 N ATOM 318 CA PRO A 24 8.070 0.214 7.708 1.00 0.00 C ATOM 319 C PRO A 24 8.523 -1.231 7.846 1.00 0.00 C ATOM 320 O PRO A 24 7.739 -2.108 8.230 1.00 0.00 O ATOM 321 CB PRO A 24 7.724 0.827 9.088 1.00 0.00 C ATOM 322 CG PRO A 24 6.448 1.569 8.879 1.00 0.00 C ATOM 323 CD PRO A 24 5.716 0.840 7.784 1.00 0.00 C ATOM 0 HA PRO A 24 8.890 0.733 7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.609 0.052 9.845 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.515 1.493 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.857 1.593 9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.641 2.604 8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.078 0.050 8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.075 1.510 7.211 1.00 0.00 H new ATOM 331 N GLY A 25 9.782 -1.476 7.523 1.00 0.00 N ATOM 332 CA GLY A 25 10.303 -2.825 7.587 1.00 0.00 C ATOM 333 C GLY A 25 10.306 -3.488 6.230 1.00 0.00 C ATOM 334 O GLY A 25 10.873 -4.565 6.042 1.00 0.00 O ATOM 0 H GLY A 25 10.451 -0.769 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.318 -2.805 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.702 -3.415 8.279 1.00 0.00 H new ATOM 338 N MET A 26 9.677 -2.839 5.260 1.00 0.00 N ATOM 339 CA MET A 26 9.612 -3.365 3.898 1.00 0.00 C ATOM 340 C MET A 26 10.877 -2.996 3.129 1.00 0.00 C ATOM 341 O MET A 26 11.320 -1.847 3.170 1.00 0.00 O ATOM 342 CB MET A 26 8.365 -2.859 3.180 1.00 0.00 C ATOM 343 CG MET A 26 8.228 -3.370 1.754 1.00 0.00 C ATOM 344 SD MET A 26 6.650 -2.944 0.993 1.00 0.00 S ATOM 345 CE MET A 26 5.510 -3.879 2.003 1.00 0.00 C ATOM 0 H MET A 26 9.203 -1.945 5.389 1.00 0.00 H new ATOM 0 HA MET A 26 9.547 -4.452 3.948 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.484 -3.156 3.749 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.382 -1.769 3.165 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.037 -2.961 1.149 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.344 -4.454 1.751 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.506 -3.800 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.814 -4.926 2.021 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.514 -3.482 3.018 1.00 0.00 H new ATOM 355 N ARG A 27 11.457 -3.978 2.461 1.00 0.00 N ATOM 356 CA ARG A 27 12.717 -3.792 1.748 1.00 0.00 C ATOM 357 C ARG A 27 12.522 -3.149 0.389 1.00 0.00 C ATOM 358 O ARG A 27 11.500 -3.346 -0.271 1.00 0.00 O ATOM 359 CB ARG A 27 13.473 -5.115 1.628 1.00 0.00 C ATOM 360 CG ARG A 27 13.855 -5.709 2.965 1.00 0.00 C ATOM 361 CD ARG A 27 14.741 -6.930 2.806 1.00 0.00 C ATOM 362 NE ARG A 27 14.156 -7.937 1.924 1.00 0.00 N ATOM 363 CZ ARG A 27 14.880 -8.743 1.114 1.00 0.00 C ATOM 364 NH1 ARG A 27 16.185 -8.570 1.024 1.00 0.00 N ATOM 365 NH2 ARG A 27 14.273 -9.648 0.369 1.00 0.00 N ATOM 0 H ARG A 27 11.075 -4.921 2.395 1.00 0.00 H new ATOM 0 HA ARG A 27 13.320 -3.102 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.856 -5.830 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.375 -4.958 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.374 -4.958 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.953 -5.983 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.709 -6.623 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.924 -7.372 3.785 1.00 0.00 H new ATOM 0 HE ARG A 27 13.141 -8.038 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.640 -7.833 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.739 -9.173 0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.258 -9.740 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.819 -10.256 -0.242 1.00 0.00 H new ATOM 379 N VAL A 28 13.526 -2.393 -0.006 1.00 0.00 N ATOM 380 CA VAL A 28 13.510 -1.658 -1.267 1.00 0.00 C ATOM 381 C VAL A 28 14.831 -1.859 -2.018 1.00 0.00 C ATOM 382 O VAL A 28 15.837 -2.234 -1.430 1.00 0.00 O ATOM 383 CB VAL A 28 13.304 -0.148 -1.013 1.00 0.00 C ATOM 384 CG1 VAL A 28 11.959 0.129 -0.368 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.428 0.390 -0.140 1.00 0.00 C ATOM 0 H VAL A 28 14.381 -2.267 0.536 1.00 0.00 H new ATOM 0 HA VAL A 28 12.685 -2.040 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 28 13.321 0.361 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.848 1.201 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.162 -0.222 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.899 -0.392 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.275 1.455 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.432 -0.137 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.383 0.238 -0.642 1.00 0.00 H new ATOM 395 N ARG A 29 14.800 -1.621 -3.322 1.00 0.00 N ATOM 396 CA ARG A 29 16.014 -1.657 -4.131 1.00 0.00 C ATOM 397 C ARG A 29 16.265 -0.308 -4.808 1.00 0.00 C ATOM 398 O ARG A 29 15.370 0.252 -5.424 1.00 0.00 O ATOM 399 CB ARG A 29 15.942 -2.757 -5.178 1.00 0.00 C ATOM 400 CG ARG A 29 17.229 -2.881 -5.998 1.00 0.00 C ATOM 401 CD ARG A 29 17.244 -4.114 -6.894 1.00 0.00 C ATOM 402 NE ARG A 29 16.263 -4.040 -7.975 1.00 0.00 N ATOM 403 CZ ARG A 29 16.564 -4.184 -9.270 1.00 0.00 C ATOM 404 NH1 ARG A 29 17.822 -4.434 -9.645 1.00 0.00 N ATOM 405 NH2 ARG A 29 15.605 -4.123 -10.186 1.00 0.00 N ATOM 0 H ARG A 29 13.951 -1.401 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 29 16.846 -1.870 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.737 -3.708 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.106 -2.559 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.349 -1.989 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 29 18.083 -2.919 -5.321 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.240 -4.235 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.046 -4.999 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 29 15.289 -3.868 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.557 -4.516 -8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 29 18.047 -4.543 -10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.638 -3.966 -9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.835 -4.233 -11.174 1.00 0.00 H new ATOM 419 N MET A 30 17.468 0.203 -4.659 1.00 0.00 N ATOM 420 CA MET A 30 17.857 1.466 -5.268 1.00 0.00 C ATOM 421 C MET A 30 18.092 1.267 -6.758 1.00 0.00 C ATOM 422 O MET A 30 18.919 0.457 -7.156 1.00 0.00 O ATOM 423 CB MET A 30 19.116 2.007 -4.592 1.00 0.00 C ATOM 424 CG MET A 30 19.489 3.418 -5.034 1.00 0.00 C ATOM 425 SD MET A 30 18.257 4.651 -4.586 1.00 0.00 S ATOM 426 CE MET A 30 19.150 6.152 -4.965 1.00 0.00 C ATOM 0 H MET A 30 18.207 -0.241 -4.114 1.00 0.00 H new ATOM 0 HA MET A 30 17.056 2.193 -5.135 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.969 2.001 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.949 1.337 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.445 3.691 -4.588 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.627 3.428 -6.115 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.617 7.007 -4.549 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.149 6.101 -4.531 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.230 6.265 -6.046 1.00 0.00 H new ATOM 436 N LEU A 31 17.348 2.002 -7.583 1.00 0.00 N ATOM 437 CA LEU A 31 17.407 1.811 -9.034 1.00 0.00 C ATOM 438 C LEU A 31 18.420 2.722 -9.721 1.00 0.00 C ATOM 439 O LEU A 31 18.718 2.529 -10.902 1.00 0.00 O ATOM 440 CB LEU A 31 16.028 2.041 -9.653 1.00 0.00 C ATOM 441 CG LEU A 31 14.966 1.058 -9.194 1.00 0.00 C ATOM 442 CD1 LEU A 31 13.624 1.403 -9.783 1.00 0.00 C ATOM 443 CD2 LEU A 31 15.363 -0.362 -9.572 1.00 0.00 C ATOM 0 H LEU A 31 16.702 2.730 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 31 17.733 0.783 -9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.699 3.052 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.115 1.983 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 31 14.886 1.123 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.880 0.684 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.334 2.405 -9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.685 1.370 -10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.593 -1.057 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.470 -0.434 -10.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.311 -0.614 -9.096 1.00 0.00 H new ATOM 455 N ASP A 32 18.991 3.688 -9.012 1.00 0.00 N ATOM 456 CA ASP A 32 19.920 4.620 -9.626 1.00 0.00 C ATOM 457 C ASP A 32 20.990 5.057 -8.633 1.00 0.00 C ATOM 458 O ASP A 32 20.783 4.988 -7.414 1.00 0.00 O ATOM 459 CB ASP A 32 19.138 5.842 -10.155 1.00 0.00 C ATOM 460 CG ASP A 32 19.956 6.781 -11.018 1.00 0.00 C ATOM 461 OD1 ASP A 32 20.234 6.444 -12.184 1.00 0.00 O ATOM 462 OD2 ASP A 32 20.298 7.879 -10.531 1.00 0.00 O ATOM 0 H ASP A 32 18.827 3.844 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 32 20.424 4.125 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.283 5.489 -10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.742 6.400 -9.307 1.00 0.00 H new ATOM 467 N ASP A 33 22.135 5.480 -9.137 1.00 0.00 N ATOM 468 CA ASP A 33 23.224 5.966 -8.285 1.00 0.00 C ATOM 469 C ASP A 33 23.040 7.463 -8.013 1.00 0.00 C ATOM 470 O ASP A 33 22.855 8.249 -8.942 1.00 0.00 O ATOM 471 CB ASP A 33 24.578 5.701 -8.947 1.00 0.00 C ATOM 472 CG ASP A 33 25.736 6.316 -8.180 1.00 0.00 C ATOM 473 OD1 ASP A 33 26.166 5.728 -7.174 1.00 0.00 O ATOM 474 OD2 ASP A 33 26.243 7.377 -8.595 1.00 0.00 O ATOM 0 H ASP A 33 22.343 5.500 -10.135 1.00 0.00 H new ATOM 0 HA ASP A 33 23.199 5.430 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.733 4.625 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.566 6.100 -9.961 1.00 0.00 H new ATOM 479 N TYR A 34 23.126 7.837 -6.737 1.00 0.00 N ATOM 480 CA TYR A 34 22.786 9.203 -6.340 1.00 0.00 C ATOM 481 C TYR A 34 23.506 9.625 -5.046 1.00 0.00 C ATOM 482 O TYR A 34 23.096 9.248 -3.955 1.00 0.00 O ATOM 483 CB TYR A 34 21.272 9.307 -6.162 1.00 0.00 C ATOM 484 CG TYR A 34 20.797 10.673 -5.736 1.00 0.00 C ATOM 485 CD1 TYR A 34 20.836 11.742 -6.623 1.00 0.00 C ATOM 486 CD2 TYR A 34 20.302 10.876 -4.461 1.00 0.00 C ATOM 487 CE1 TYR A 34 20.395 12.986 -6.227 1.00 0.00 C ATOM 488 CE2 TYR A 34 19.859 12.132 -4.070 1.00 0.00 C ATOM 489 CZ TYR A 34 19.911 13.187 -4.949 1.00 0.00 C ATOM 490 OH TYR A 34 19.478 14.421 -4.551 1.00 0.00 O ATOM 0 H TYR A 34 23.422 7.228 -5.974 1.00 0.00 H new ATOM 0 HA TYR A 34 23.119 9.881 -7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.787 9.042 -7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.953 8.575 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 34 21.213 11.598 -7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 34 20.260 10.052 -3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 34 20.428 13.812 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 34 19.473 12.280 -3.073 1.00 0.00 H new ATOM 0 HH TYR A 34 19.171 14.376 -3.621 1.00 0.00 H new ATOM 500 N GLU A 35 24.608 10.367 -5.233 1.00 0.00 N ATOM 501 CA GLU A 35 25.302 11.114 -4.167 1.00 0.00 C ATOM 502 C GLU A 35 25.788 10.291 -2.972 1.00 0.00 C ATOM 503 O GLU A 35 26.425 10.846 -2.070 1.00 0.00 O ATOM 504 CB GLU A 35 24.445 12.283 -3.687 1.00 0.00 C ATOM 505 CG GLU A 35 24.128 13.275 -4.793 1.00 0.00 C ATOM 506 CD GLU A 35 23.867 14.668 -4.276 1.00 0.00 C ATOM 507 OE1 GLU A 35 24.837 15.447 -4.122 1.00 0.00 O ATOM 508 OE2 GLU A 35 22.686 15.010 -4.011 1.00 0.00 O ATOM 0 H GLU A 35 25.052 10.468 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 35 26.215 11.470 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.513 11.898 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 35 24.963 12.800 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 35 24.960 13.304 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 35 23.255 12.928 -5.345 1.00 0.00 H new ATOM 515 N GLU A 36 25.534 8.985 -2.972 1.00 0.00 N ATOM 516 CA GLU A 36 26.008 8.121 -1.893 1.00 0.00 C ATOM 517 C GLU A 36 25.512 6.703 -2.132 1.00 0.00 C ATOM 518 O GLU A 36 26.258 5.729 -1.979 1.00 0.00 O ATOM 519 CB GLU A 36 25.514 8.617 -0.527 1.00 0.00 C ATOM 520 CG GLU A 36 26.127 7.877 0.645 1.00 0.00 C ATOM 521 CD GLU A 36 25.730 8.468 1.971 1.00 0.00 C ATOM 522 OE1 GLU A 36 26.351 9.453 2.394 1.00 0.00 O ATOM 523 OE2 GLU A 36 24.783 7.934 2.595 1.00 0.00 O ATOM 0 H GLU A 36 25.007 8.504 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 36 27.098 8.141 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 36 25.738 9.679 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.430 8.515 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 36 25.821 6.831 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 36 27.213 7.894 0.554 1.00 0.00 H new ATOM 530 N ILE A 37 24.250 6.601 -2.527 1.00 0.00 N ATOM 531 CA ILE A 37 23.638 5.303 -2.756 1.00 0.00 C ATOM 532 C ILE A 37 23.729 4.958 -4.233 1.00 0.00 C ATOM 533 O ILE A 37 23.671 5.841 -5.078 1.00 0.00 O ATOM 534 CB ILE A 37 22.164 5.293 -2.296 1.00 0.00 C ATOM 535 CG1 ILE A 37 22.034 5.904 -0.882 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.612 3.879 -2.319 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.864 5.165 0.158 1.00 0.00 C ATOM 0 H ILE A 37 23.635 7.397 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 37 24.174 4.556 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 37 21.581 5.902 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.344 6.948 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.987 5.891 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.572 3.889 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.670 3.482 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.197 3.249 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.733 5.638 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.538 4.126 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.916 5.200 -0.124 1.00 0.00 H new ATOM 549 N SER A 38 23.878 3.677 -4.539 1.00 0.00 N ATOM 550 CA SER A 38 24.103 3.263 -5.905 1.00 0.00 C ATOM 551 C SER A 38 23.051 2.273 -6.365 1.00 0.00 C ATOM 552 O SER A 38 22.368 1.651 -5.549 1.00 0.00 O ATOM 553 CB SER A 38 25.506 2.660 -6.033 1.00 0.00 C ATOM 554 OG SER A 38 26.493 3.602 -5.654 1.00 0.00 O ATOM 0 H SER A 38 23.847 2.916 -3.861 1.00 0.00 H new ATOM 0 HA SER A 38 24.027 4.139 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.584 1.772 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.677 2.340 -7.061 1.00 0.00 H new ATOM 0 HG SER A 38 26.392 4.416 -6.191 1.00 0.00 H new ATOM 560 N ALA A 39 22.914 2.130 -7.676 1.00 0.00 N ATOM 561 CA ALA A 39 21.967 1.203 -8.259 1.00 0.00 C ATOM 562 C ALA A 39 22.286 -0.219 -7.837 1.00 0.00 C ATOM 563 O ALA A 39 23.410 -0.708 -8.053 1.00 0.00 O ATOM 564 CB ALA A 39 21.969 1.339 -9.781 1.00 0.00 C ATOM 0 H ALA A 39 23.458 2.655 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 39 20.968 1.443 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.253 0.637 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.689 2.356 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 39 22.966 1.121 -10.165 1.00 0.00 H new ATOM 570 N GLY A 40 21.302 -0.899 -7.243 1.00 0.00 N ATOM 571 CA GLY A 40 21.529 -2.246 -6.761 1.00 0.00 C ATOM 572 C GLY A 40 21.642 -2.313 -5.258 1.00 0.00 C ATOM 573 O GLY A 40 21.578 -3.401 -4.669 1.00 0.00 O ATOM 0 H GLY A 40 20.360 -0.539 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.711 -2.888 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.442 -2.639 -7.208 1.00 0.00 H new ATOM 577 N ASP A 41 21.820 -1.172 -4.610 1.00 0.00 N ATOM 578 CA ASP A 41 21.841 -1.125 -3.157 1.00 0.00 C ATOM 579 C ASP A 41 20.465 -1.525 -2.617 1.00 0.00 C ATOM 580 O ASP A 41 19.440 -1.162 -3.194 1.00 0.00 O ATOM 581 CB ASP A 41 22.205 0.283 -2.675 1.00 0.00 C ATOM 582 CG ASP A 41 22.758 0.295 -1.251 1.00 0.00 C ATOM 583 OD1 ASP A 41 22.108 -0.255 -0.343 1.00 0.00 O ATOM 584 OD2 ASP A 41 23.854 0.865 -1.060 1.00 0.00 O ATOM 0 H ASP A 41 21.952 -0.269 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 41 22.593 -1.822 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.944 0.714 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.321 0.919 -2.722 1.00 0.00 H new ATOM 589 N GLU A 42 20.453 -2.286 -1.541 1.00 0.00 N ATOM 590 CA GLU A 42 19.209 -2.748 -0.957 1.00 0.00 C ATOM 591 C GLU A 42 18.985 -2.069 0.382 1.00 0.00 C ATOM 592 O GLU A 42 19.939 -1.806 1.121 1.00 0.00 O ATOM 593 CB GLU A 42 19.217 -4.267 -0.774 1.00 0.00 C ATOM 594 CG GLU A 42 19.439 -5.040 -2.057 1.00 0.00 C ATOM 595 CD GLU A 42 19.417 -6.539 -1.849 1.00 0.00 C ATOM 596 OE1 GLU A 42 20.414 -7.092 -1.334 1.00 0.00 O ATOM 597 OE2 GLU A 42 18.404 -7.189 -2.200 1.00 0.00 O ATOM 0 H GLU A 42 21.292 -2.598 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 42 18.397 -2.491 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.998 -4.533 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.268 -4.575 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 42 18.669 -4.766 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.397 -4.752 -2.489 1.00 0.00 H new ATOM 604 N GLY A 43 17.734 -1.800 0.703 1.00 0.00 N ATOM 605 CA GLY A 43 17.458 -1.041 1.893 1.00 0.00 C ATOM 606 C GLY A 43 16.126 -1.402 2.513 1.00 0.00 C ATOM 607 O GLY A 43 15.357 -2.182 1.954 1.00 0.00 O ATOM 0 H GLY A 43 16.916 -2.090 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.252 -1.210 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.467 0.022 1.653 1.00 0.00 H new ATOM 611 N GLU A 44 15.865 -0.818 3.670 1.00 0.00 N ATOM 612 CA GLU A 44 14.621 -1.029 4.393 1.00 0.00 C ATOM 613 C GLU A 44 13.942 0.314 4.615 1.00 0.00 C ATOM 614 O GLU A 44 14.616 1.313 4.859 1.00 0.00 O ATOM 615 CB GLU A 44 14.914 -1.688 5.734 1.00 0.00 C ATOM 616 CG GLU A 44 13.670 -1.912 6.583 1.00 0.00 C ATOM 617 CD GLU A 44 14.014 -2.392 7.970 1.00 0.00 C ATOM 618 OE1 GLU A 44 14.521 -1.579 8.770 1.00 0.00 O ATOM 619 OE2 GLU A 44 13.767 -3.580 8.282 1.00 0.00 O ATOM 0 H GLU A 44 16.512 -0.182 4.137 1.00 0.00 H new ATOM 0 HA GLU A 44 13.964 -1.679 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.403 -2.646 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.617 -1.067 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.105 -0.983 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.025 -2.643 6.096 1.00 0.00 H new ATOM 626 N PHE A 45 12.618 0.344 4.522 1.00 0.00 N ATOM 627 CA PHE A 45 11.884 1.566 4.689 1.00 0.00 C ATOM 628 C PHE A 45 11.609 1.814 6.170 1.00 0.00 C ATOM 629 O PHE A 45 10.957 1.016 6.821 1.00 0.00 O ATOM 630 CB PHE A 45 10.572 1.505 3.905 1.00 0.00 C ATOM 631 CG PHE A 45 9.664 2.686 4.127 1.00 0.00 C ATOM 632 CD1 PHE A 45 9.918 3.902 3.525 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.544 2.567 4.942 1.00 0.00 C ATOM 634 CE1 PHE A 45 9.082 4.972 3.733 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.700 3.632 5.147 1.00 0.00 C ATOM 636 CZ PHE A 45 7.964 4.840 4.544 1.00 0.00 C ATOM 0 H PHE A 45 12.040 -0.474 4.331 1.00 0.00 H new ATOM 0 HA PHE A 45 12.481 2.392 4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.800 1.431 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.039 0.595 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.781 4.013 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.334 1.622 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.296 5.921 3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.832 3.521 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.305 5.681 4.701 1.00 0.00 H new ATOM 646 N ARG A 46 12.164 2.903 6.694 1.00 0.00 N ATOM 647 CA ARG A 46 11.959 3.236 8.091 1.00 0.00 C ATOM 648 C ARG A 46 10.759 4.155 8.269 1.00 0.00 C ATOM 649 O ARG A 46 9.855 3.856 9.044 1.00 0.00 O ATOM 650 CB ARG A 46 13.211 3.878 8.690 1.00 0.00 C ATOM 651 CG ARG A 46 14.273 2.851 9.076 1.00 0.00 C ATOM 652 CD ARG A 46 13.730 1.917 10.134 1.00 0.00 C ATOM 653 NE ARG A 46 14.700 0.873 10.499 1.00 0.00 N ATOM 654 CZ ARG A 46 14.615 0.181 11.633 1.00 0.00 C ATOM 655 NH1 ARG A 46 13.641 0.432 12.501 1.00 0.00 N ATOM 656 NH2 ARG A 46 15.487 -0.797 11.900 1.00 0.00 N ATOM 0 H ARG A 46 12.750 3.559 6.177 1.00 0.00 H new ATOM 0 HA ARG A 46 11.758 2.306 8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.634 4.579 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.932 4.455 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.576 2.281 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.163 3.358 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.464 2.491 11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.815 1.450 9.770 1.00 0.00 H new ATOM 0 HE ARG A 46 15.468 0.672 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.953 1.158 12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.581 -0.101 13.368 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.225 -1.018 11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.414 -1.322 12.772 1.00 0.00 H new ATOM 670 N GLN A 47 10.746 5.265 7.542 1.00 0.00 N ATOM 671 CA GLN A 47 9.671 6.248 7.687 1.00 0.00 C ATOM 672 C GLN A 47 9.739 7.276 6.567 1.00 0.00 C ATOM 673 O GLN A 47 10.759 7.390 5.877 1.00 0.00 O ATOM 674 CB GLN A 47 9.747 6.943 9.059 1.00 0.00 C ATOM 675 CG GLN A 47 11.035 7.732 9.284 1.00 0.00 C ATOM 676 CD GLN A 47 10.888 9.217 9.005 1.00 0.00 C ATOM 677 OE1 GLN A 47 10.506 9.989 9.877 1.00 0.00 O ATOM 678 NE2 GLN A 47 11.212 9.634 7.785 1.00 0.00 N ATOM 0 H GLN A 47 11.457 5.509 6.853 1.00 0.00 H new ATOM 0 HA GLN A 47 8.717 5.724 7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.897 7.618 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.652 6.191 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.362 7.594 10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.818 7.325 8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.526 8.963 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.146 10.624 7.550 1.00 0.00 H new ATOM 687 N SER A 48 8.658 7.999 6.384 1.00 0.00 N ATOM 688 CA SER A 48 8.563 9.008 5.359 1.00 0.00 C ATOM 689 C SER A 48 8.184 10.343 5.988 1.00 0.00 C ATOM 690 O SER A 48 7.555 10.368 7.048 1.00 0.00 O ATOM 691 CB SER A 48 7.527 8.603 4.300 1.00 0.00 C ATOM 692 OG SER A 48 6.282 8.301 4.898 1.00 0.00 O ATOM 0 H SER A 48 7.814 7.901 6.948 1.00 0.00 H new ATOM 0 HA SER A 48 9.531 9.107 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.402 9.412 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.888 7.737 3.746 1.00 0.00 H new ATOM 0 HG SER A 48 5.638 8.048 4.204 1.00 0.00 H new ATOM 698 N ASN A 49 8.603 11.439 5.394 1.00 0.00 N ATOM 699 CA ASN A 49 8.222 12.750 5.879 1.00 0.00 C ATOM 700 C ASN A 49 6.885 13.148 5.263 1.00 0.00 C ATOM 701 O ASN A 49 6.722 13.150 4.037 1.00 0.00 O ATOM 702 CB ASN A 49 9.301 13.791 5.573 1.00 0.00 C ATOM 703 CG ASN A 49 10.602 13.530 6.326 1.00 0.00 C ATOM 704 OD1 ASN A 49 11.692 13.826 5.825 1.00 0.00 O ATOM 705 ND2 ASN A 49 10.502 13.016 7.546 1.00 0.00 N ATOM 0 H ASN A 49 9.208 11.450 4.573 1.00 0.00 H new ATOM 0 HA ASN A 49 8.117 12.708 6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.501 13.797 4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.928 14.782 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.342 12.854 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.585 12.783 7.928 1.00 0.00 H new ATOM 712 N ASN A 50 5.940 13.454 6.123 1.00 0.00 N ATOM 713 CA ASN A 50 4.545 13.665 5.717 1.00 0.00 C ATOM 714 C ASN A 50 4.414 14.844 4.779 1.00 0.00 C ATOM 715 O ASN A 50 4.820 15.952 5.091 1.00 0.00 O ATOM 716 CB ASN A 50 3.658 13.854 6.936 1.00 0.00 C ATOM 717 CG ASN A 50 3.598 12.631 7.823 1.00 0.00 C ATOM 718 OD1 ASN A 50 4.442 12.452 8.723 1.00 0.00 O ATOM 719 ND2 ASN A 50 2.626 11.767 7.579 1.00 0.00 N ATOM 0 H ASN A 50 6.103 13.566 7.124 1.00 0.00 H new ATOM 0 HA ASN A 50 4.217 12.775 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.026 14.699 7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.650 14.107 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.547 10.917 8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.955 11.951 6.833 1.00 0.00 H new ATOM 726 N GLY A 51 3.866 14.587 3.602 1.00 0.00 N ATOM 727 CA GLY A 51 3.584 15.643 2.665 1.00 0.00 C ATOM 728 C GLY A 51 4.724 15.922 1.714 1.00 0.00 C ATOM 729 O GLY A 51 4.511 16.230 0.544 1.00 0.00 O ATOM 0 H GLY A 51 3.611 13.653 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.696 15.380 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.349 16.554 3.216 1.00 0.00 H new ATOM 733 N VAL A 52 5.952 15.790 2.207 1.00 0.00 N ATOM 734 CA VAL A 52 7.114 16.194 1.430 1.00 0.00 C ATOM 735 C VAL A 52 7.875 14.991 0.852 1.00 0.00 C ATOM 736 O VAL A 52 7.725 13.871 1.336 1.00 0.00 O ATOM 737 CB VAL A 52 8.086 17.058 2.280 1.00 0.00 C ATOM 738 CG1 VAL A 52 7.502 18.440 2.565 1.00 0.00 C ATOM 739 CG2 VAL A 52 8.433 16.348 3.582 1.00 0.00 C ATOM 0 H VAL A 52 6.165 15.411 3.130 1.00 0.00 H new ATOM 0 HA VAL A 52 6.734 16.789 0.599 1.00 0.00 H new ATOM 0 HB VAL A 52 8.999 17.195 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.208 19.017 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.314 18.957 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.566 18.333 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.115 16.968 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.522 16.173 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.911 15.394 3.360 1.00 0.00 H new ATOM 749 N PRO A 53 8.631 15.225 -0.224 1.00 0.00 N ATOM 750 CA PRO A 53 9.407 14.185 -0.926 1.00 0.00 C ATOM 751 C PRO A 53 10.369 13.356 -0.059 1.00 0.00 C ATOM 752 O PRO A 53 10.402 12.151 -0.241 1.00 0.00 O ATOM 753 CB PRO A 53 10.210 14.982 -1.960 1.00 0.00 C ATOM 754 CG PRO A 53 9.437 16.236 -2.173 1.00 0.00 C ATOM 755 CD PRO A 53 8.766 16.534 -0.865 1.00 0.00 C ATOM 0 HA PRO A 53 8.725 13.435 -1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.215 15.196 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.318 14.424 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.094 17.054 -2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.703 16.112 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.362 17.215 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.795 17.006 -1.014 1.00 0.00 H new ATOM 763 N PRO A 54 11.190 13.961 0.841 1.00 0.00 N ATOM 764 CA PRO A 54 12.216 13.220 1.614 1.00 0.00 C ATOM 765 C PRO A 54 11.681 11.966 2.306 1.00 0.00 C ATOM 766 O PRO A 54 10.674 12.000 3.024 1.00 0.00 O ATOM 767 CB PRO A 54 12.703 14.258 2.652 1.00 0.00 C ATOM 768 CG PRO A 54 11.747 15.396 2.567 1.00 0.00 C ATOM 769 CD PRO A 54 11.223 15.393 1.170 1.00 0.00 C ATOM 0 HA PRO A 54 13.003 12.841 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.715 13.832 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.720 14.584 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.937 15.279 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.243 16.339 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.233 15.846 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.871 15.949 0.493 1.00 0.00 H new ATOM 777 N VAL A 55 12.365 10.852 2.068 1.00 0.00 N ATOM 778 CA VAL A 55 11.980 9.581 2.679 1.00 0.00 C ATOM 779 C VAL A 55 13.194 8.955 3.348 1.00 0.00 C ATOM 780 O VAL A 55 14.298 8.972 2.815 1.00 0.00 O ATOM 781 CB VAL A 55 11.363 8.613 1.637 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.331 8.303 0.508 1.00 0.00 C ATOM 783 CG2 VAL A 55 10.893 7.330 2.316 1.00 0.00 C ATOM 0 H VAL A 55 13.183 10.801 1.461 1.00 0.00 H new ATOM 0 HA VAL A 55 11.214 9.773 3.430 1.00 0.00 H new ATOM 0 HB VAL A 55 10.501 9.112 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.859 7.622 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.601 9.227 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.229 7.838 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.462 6.661 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.741 6.841 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.140 7.570 3.066 1.00 0.00 H new ATOM 793 N GLN A 56 13.003 8.395 4.540 1.00 0.00 N ATOM 794 CA GLN A 56 14.107 7.857 5.322 1.00 0.00 C ATOM 795 C GLN A 56 14.198 6.351 5.130 1.00 0.00 C ATOM 796 O GLN A 56 13.329 5.591 5.575 1.00 0.00 O ATOM 797 CB GLN A 56 13.926 8.184 6.802 1.00 0.00 C ATOM 798 CG GLN A 56 15.010 7.611 7.706 1.00 0.00 C ATOM 799 CD GLN A 56 16.389 8.166 7.421 1.00 0.00 C ATOM 800 OE1 GLN A 56 16.735 8.502 6.297 1.00 0.00 O ATOM 801 NE2 GLN A 56 17.186 8.274 8.465 1.00 0.00 N ATOM 0 H GLN A 56 12.090 8.303 4.985 1.00 0.00 H new ATOM 0 HA GLN A 56 15.032 8.317 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.903 9.267 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.958 7.806 7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.752 7.816 8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.032 6.527 7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.861 7.983 9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.128 8.649 8.351 1.00 0.00 H new ATOM 810 N VAL A 57 15.246 5.931 4.439 1.00 0.00 N ATOM 811 CA VAL A 57 15.442 4.535 4.124 1.00 0.00 C ATOM 812 C VAL A 57 16.814 4.070 4.643 1.00 0.00 C ATOM 813 O VAL A 57 17.824 4.746 4.450 1.00 0.00 O ATOM 814 CB VAL A 57 15.371 4.309 2.597 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.624 2.854 2.235 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.013 4.761 2.084 1.00 0.00 C ATOM 0 H VAL A 57 15.977 6.548 4.085 1.00 0.00 H new ATOM 0 HA VAL A 57 14.652 3.959 4.606 1.00 0.00 H new ATOM 0 HB VAL A 57 16.154 4.900 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.566 2.733 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.615 2.560 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.872 2.225 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.960 4.603 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.229 4.185 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.876 5.820 2.302 1.00 0.00 H new ATOM 826 N PHE A 58 16.819 2.935 5.310 1.00 0.00 N ATOM 827 CA PHE A 58 18.053 2.358 5.795 1.00 0.00 C ATOM 828 C PHE A 58 18.651 1.416 4.755 1.00 0.00 C ATOM 829 O PHE A 58 18.072 0.374 4.452 1.00 0.00 O ATOM 830 CB PHE A 58 17.811 1.593 7.111 1.00 0.00 C ATOM 831 CG PHE A 58 19.023 0.892 7.630 1.00 0.00 C ATOM 832 CD1 PHE A 58 20.075 1.623 8.164 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.111 -0.479 7.574 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.202 0.981 8.635 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.237 -1.127 8.042 1.00 0.00 C ATOM 836 CZ PHE A 58 21.299 -0.401 8.579 1.00 0.00 C ATOM 0 H PHE A 58 15.982 2.394 5.528 1.00 0.00 H new ATOM 0 HA PHE A 58 18.756 3.170 5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.455 2.293 7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.018 0.862 6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.011 2.700 8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.294 -1.053 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.014 1.559 9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.295 -2.204 7.992 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.181 -0.906 8.945 1.00 0.00 H new ATOM 846 N TRP A 59 19.782 1.786 4.205 1.00 0.00 N ATOM 847 CA TRP A 59 20.411 0.994 3.142 1.00 0.00 C ATOM 848 C TRP A 59 21.465 0.062 3.739 1.00 0.00 C ATOM 849 O TRP A 59 22.379 0.509 4.411 1.00 0.00 O ATOM 850 CB TRP A 59 21.053 1.905 2.098 1.00 0.00 C ATOM 851 CG TRP A 59 20.062 2.813 1.420 1.00 0.00 C ATOM 852 CD1 TRP A 59 19.818 4.124 1.708 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.153 2.475 0.352 1.00 0.00 C ATOM 854 NE1 TRP A 59 18.840 4.619 0.879 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.415 3.629 0.044 1.00 0.00 C ATOM 856 CE3 TRP A 59 18.905 1.314 -0.361 1.00 0.00 C ATOM 857 CZ2 TRP A 59 17.449 3.655 -0.944 1.00 0.00 C ATOM 858 CZ3 TRP A 59 17.938 1.332 -1.342 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.223 2.498 -1.626 1.00 0.00 C ATOM 0 H TRP A 59 20.296 2.628 4.466 1.00 0.00 H new ATOM 0 HA TRP A 59 19.640 0.398 2.654 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.823 2.510 2.576 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.550 1.292 1.346 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.321 4.691 2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 59 18.488 5.576 0.887 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.459 0.411 -0.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 16.896 4.556 -1.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 17.730 0.431 -1.900 1.00 0.00 H new ATOM 0 HH2 TRP A 59 16.474 2.482 -2.404 1.00 0.00 H new ATOM 870 N GLU A 60 21.310 -1.244 3.488 1.00 0.00 N ATOM 871 CA GLU A 60 22.130 -2.254 4.149 1.00 0.00 C ATOM 872 C GLU A 60 23.475 -2.454 3.451 1.00 0.00 C ATOM 873 O GLU A 60 24.453 -2.879 4.080 1.00 0.00 O ATOM 874 CB GLU A 60 21.362 -3.591 4.233 1.00 0.00 C ATOM 875 CG GLU A 60 20.889 -4.133 2.902 1.00 0.00 C ATOM 876 CD GLU A 60 21.821 -5.161 2.294 1.00 0.00 C ATOM 877 OE1 GLU A 60 21.695 -6.351 2.628 1.00 0.00 O ATOM 878 OE2 GLU A 60 22.676 -4.772 1.479 1.00 0.00 O ATOM 0 H GLU A 60 20.625 -1.620 2.833 1.00 0.00 H new ATOM 0 HA GLU A 60 22.341 -1.895 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 22.004 -4.334 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 60 20.498 -3.458 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.904 -4.581 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.772 -3.304 2.204 1.00 0.00 H new ATOM 885 N SER A 61 23.544 -2.149 2.162 1.00 0.00 N ATOM 886 CA SER A 61 24.764 -2.339 1.402 1.00 0.00 C ATOM 887 C SER A 61 25.801 -1.313 1.836 1.00 0.00 C ATOM 888 O SER A 61 26.995 -1.594 1.897 1.00 0.00 O ATOM 889 CB SER A 61 24.472 -2.242 -0.100 1.00 0.00 C ATOM 890 OG SER A 61 25.606 -2.573 -0.886 1.00 0.00 O ATOM 0 H SER A 61 22.766 -1.768 1.623 1.00 0.00 H new ATOM 0 HA SER A 61 25.165 -3.333 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.649 -2.910 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 61 24.147 -1.230 -0.341 1.00 0.00 H new ATOM 0 HG SER A 61 25.378 -2.500 -1.836 1.00 0.00 H new ATOM 896 N THR A 62 25.342 -0.118 2.148 1.00 0.00 N ATOM 897 CA THR A 62 26.220 0.928 2.668 1.00 0.00 C ATOM 898 C THR A 62 26.238 0.902 4.197 1.00 0.00 C ATOM 899 O THR A 62 27.271 1.115 4.832 1.00 0.00 O ATOM 900 CB THR A 62 25.755 2.303 2.161 1.00 0.00 C ATOM 901 OG1 THR A 62 24.321 2.337 2.082 1.00 0.00 O ATOM 902 CG2 THR A 62 26.359 2.600 0.793 1.00 0.00 C ATOM 0 H THR A 62 24.365 0.160 2.053 1.00 0.00 H new ATOM 0 HA THR A 62 27.233 0.744 2.311 1.00 0.00 H new ATOM 0 HB THR A 62 26.093 3.065 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.032 3.216 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.019 3.577 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.446 2.600 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 62 26.044 1.836 0.082 1.00 0.00 H new ATOM 910 N GLY A 63 25.076 0.673 4.779 1.00 0.00 N ATOM 911 CA GLY A 63 24.965 0.549 6.216 1.00 0.00 C ATOM 912 C GLY A 63 24.613 1.875 6.868 1.00 0.00 C ATOM 913 O GLY A 63 24.994 2.143 8.015 1.00 0.00 O ATOM 0 H GLY A 63 24.195 0.569 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.202 -0.190 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.907 0.182 6.624 1.00 0.00 H new ATOM 917 N ARG A 64 23.889 2.715 6.137 1.00 0.00 N ATOM 918 CA ARG A 64 23.506 4.039 6.617 1.00 0.00 C ATOM 919 C ARG A 64 22.065 4.345 6.253 1.00 0.00 C ATOM 920 O ARG A 64 21.543 3.782 5.281 1.00 0.00 O ATOM 921 CB ARG A 64 24.388 5.114 5.991 1.00 0.00 C ATOM 922 CG ARG A 64 25.883 4.909 6.164 1.00 0.00 C ATOM 923 CD ARG A 64 26.677 6.021 5.496 1.00 0.00 C ATOM 924 NE ARG A 64 28.107 5.786 5.520 1.00 0.00 N ATOM 925 CZ ARG A 64 28.852 5.646 4.412 1.00 0.00 C ATOM 926 NH1 ARG A 64 28.280 5.694 3.208 1.00 0.00 N ATOM 927 NH2 ARG A 64 30.171 5.499 4.520 1.00 0.00 N ATOM 0 H ARG A 64 23.552 2.499 5.199 1.00 0.00 H new ATOM 0 HA ARG A 64 23.626 4.040 7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.166 5.167 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.118 6.078 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 64 26.126 4.874 7.226 1.00 0.00 H new ATOM 0 HG3 ARG A 64 26.172 3.948 5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.348 6.125 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.461 6.965 5.995 1.00 0.00 H new ATOM 0 HE ARG A 64 28.572 5.724 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.273 5.837 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.849 5.587 2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 64 30.610 5.493 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 64 30.743 5.392 3.682 1.00 0.00 H new ATOM 941 N THR A 65 21.430 5.198 7.015 1.00 0.00 N ATOM 942 CA THR A 65 20.140 5.732 6.644 1.00 0.00 C ATOM 943 C THR A 65 20.336 6.907 5.694 1.00 0.00 C ATOM 944 O THR A 65 21.308 7.652 5.806 1.00 0.00 O ATOM 945 CB THR A 65 19.361 6.205 7.880 1.00 0.00 C ATOM 946 OG1 THR A 65 20.192 7.032 8.696 1.00 0.00 O ATOM 947 CG2 THR A 65 18.865 5.024 8.702 1.00 0.00 C ATOM 0 H THR A 65 21.788 5.542 7.906 1.00 0.00 H new ATOM 0 HA THR A 65 19.568 4.943 6.157 1.00 0.00 H new ATOM 0 HB THR A 65 18.499 6.775 7.534 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.687 7.330 9.481 1.00 0.00 H new ATOM 0 HG21 THR A 65 18.317 5.390 9.570 1.00 0.00 H new ATOM 0 HG22 THR A 65 18.206 4.407 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.716 4.429 9.034 1.00 0.00 H new ATOM 955 N TYR A 66 19.407 7.087 4.776 1.00 0.00 N ATOM 956 CA TYR A 66 19.524 8.162 3.810 1.00 0.00 C ATOM 957 C TYR A 66 18.153 8.598 3.335 1.00 0.00 C ATOM 958 O TYR A 66 17.226 7.786 3.207 1.00 0.00 O ATOM 959 CB TYR A 66 20.392 7.714 2.634 1.00 0.00 C ATOM 960 CG TYR A 66 20.832 8.845 1.729 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.709 9.823 2.191 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.366 8.940 0.427 1.00 0.00 C ATOM 963 CE1 TYR A 66 22.099 10.859 1.376 1.00 0.00 C ATOM 964 CE2 TYR A 66 20.763 9.973 -0.400 1.00 0.00 C ATOM 965 CZ TYR A 66 21.625 10.929 0.082 1.00 0.00 C ATOM 966 OH TYR A 66 22.025 11.964 -0.731 1.00 0.00 O ATOM 0 H TYR A 66 18.571 6.510 4.678 1.00 0.00 H new ATOM 0 HA TYR A 66 20.003 9.017 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.276 7.206 3.020 1.00 0.00 H new ATOM 0 HB3 TYR A 66 19.838 6.984 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 66 22.087 9.767 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.681 8.194 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.774 11.616 1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.400 10.029 -1.415 1.00 0.00 H new ATOM 0 HH TYR A 66 21.604 11.870 -1.611 1.00 0.00 H new ATOM 976 N TRP A 67 18.030 9.888 3.052 1.00 0.00 N ATOM 977 CA TRP A 67 16.793 10.442 2.559 1.00 0.00 C ATOM 978 C TRP A 67 16.865 10.481 1.033 1.00 0.00 C ATOM 979 O TRP A 67 17.675 11.207 0.454 1.00 0.00 O ATOM 980 CB TRP A 67 16.545 11.842 3.114 1.00 0.00 C ATOM 981 CG TRP A 67 16.241 11.850 4.592 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.001 11.924 5.153 1.00 0.00 C ATOM 983 CD2 TRP A 67 17.175 11.778 5.671 1.00 0.00 C ATOM 984 NE1 TRP A 67 15.100 11.879 6.527 1.00 0.00 N ATOM 985 CE2 TRP A 67 16.424 11.794 6.861 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.564 11.691 5.752 1.00 0.00 C ATOM 987 CZ2 TRP A 67 17.034 11.738 8.120 1.00 0.00 C ATOM 988 CZ3 TRP A 67 19.157 11.615 6.994 1.00 0.00 C ATOM 989 CH2 TRP A 67 18.396 11.652 8.166 1.00 0.00 C ATOM 0 H TRP A 67 18.783 10.568 3.159 1.00 0.00 H new ATOM 0 HA TRP A 67 15.962 9.817 2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.423 12.461 2.927 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.713 12.297 2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.076 12.006 4.601 1.00 0.00 H new ATOM 0 HE1 TRP A 67 14.319 11.905 7.183 1.00 0.00 H new ATOM 0 HE3 TRP A 67 19.166 11.683 4.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 16.446 11.762 9.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 20.231 11.525 7.063 1.00 0.00 H new ATOM 0 HH2 TRP A 67 18.894 11.612 9.124 1.00 0.00 H new ATOM 1000 N VAL A 68 16.008 9.697 0.405 1.00 0.00 N ATOM 1001 CA VAL A 68 16.045 9.538 -1.041 1.00 0.00 C ATOM 1002 C VAL A 68 14.771 10.098 -1.655 1.00 0.00 C ATOM 1003 O VAL A 68 13.889 10.555 -0.941 1.00 0.00 O ATOM 1004 CB VAL A 68 16.180 8.036 -1.414 1.00 0.00 C ATOM 1005 CG1 VAL A 68 16.859 7.854 -2.761 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.922 7.270 -0.339 1.00 0.00 C ATOM 0 H VAL A 68 15.277 9.160 0.872 1.00 0.00 H new ATOM 0 HA VAL A 68 16.906 10.081 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 68 15.171 7.631 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.936 6.791 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.272 8.349 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.857 8.291 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.001 6.222 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.921 7.689 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.379 7.347 0.603 1.00 0.00 H new ATOM 1016 N HIS A 69 14.684 10.075 -2.985 1.00 0.00 N ATOM 1017 CA HIS A 69 13.456 10.432 -3.668 1.00 0.00 C ATOM 1018 C HIS A 69 12.662 9.137 -3.909 1.00 0.00 C ATOM 1019 O HIS A 69 13.234 8.132 -4.354 1.00 0.00 O ATOM 1020 CB HIS A 69 13.741 11.121 -5.015 1.00 0.00 C ATOM 1021 CG HIS A 69 14.384 12.470 -4.924 1.00 0.00 C ATOM 1022 ND1 HIS A 69 15.420 12.787 -4.047 1.00 0.00 N ATOM 1023 CD2 HIS A 69 14.170 13.608 -5.648 1.00 0.00 C ATOM 1024 CE1 HIS A 69 15.802 14.032 -4.248 1.00 0.00 C ATOM 1025 NE2 HIS A 69 15.057 14.555 -5.212 1.00 0.00 N ATOM 0 H HIS A 69 15.451 9.812 -3.603 1.00 0.00 H new ATOM 0 HA HIS A 69 12.891 11.134 -3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.384 10.470 -5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.801 11.221 -5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.432 13.738 -6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.591 14.542 -3.716 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.132 15.507 -5.570 1.00 0.00 H new ATOM 1034 N TRP A 70 11.365 9.173 -3.628 1.00 0.00 N ATOM 1035 CA TRP A 70 10.495 8.008 -3.751 1.00 0.00 C ATOM 1036 C TRP A 70 10.645 7.278 -5.079 1.00 0.00 C ATOM 1037 O TRP A 70 10.776 6.056 -5.103 1.00 0.00 O ATOM 1038 CB TRP A 70 9.046 8.415 -3.549 1.00 0.00 C ATOM 1039 CG TRP A 70 8.675 8.614 -2.102 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.747 9.776 -1.399 1.00 0.00 C ATOM 1041 CD2 TRP A 70 8.175 7.625 -1.220 1.00 0.00 C ATOM 1042 NE1 TRP A 70 8.326 9.558 -0.105 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.972 8.247 0.024 1.00 0.00 C ATOM 1044 CE3 TRP A 70 7.878 6.262 -1.340 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.489 7.569 1.128 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 7.394 5.586 -0.231 1.00 0.00 C ATOM 1047 CH2 TRP A 70 7.203 6.234 0.989 1.00 0.00 C ATOM 0 H TRP A 70 10.885 10.014 -3.307 1.00 0.00 H new ATOM 0 HA TRP A 70 10.803 7.310 -2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.857 9.339 -4.095 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.399 7.652 -3.980 1.00 0.00 H new ATOM 0 HD1 TRP A 70 9.082 10.724 -1.794 1.00 0.00 H new ATOM 0 HE1 TRP A 70 8.286 10.260 0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 70 8.023 5.747 -2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.341 8.075 2.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 7.160 4.535 -0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 70 6.825 5.678 1.835 1.00 0.00 H new ATOM 1058 N HIS A 71 10.632 8.026 -6.176 1.00 0.00 N ATOM 1059 CA HIS A 71 10.619 7.403 -7.512 1.00 0.00 C ATOM 1060 C HIS A 71 11.961 6.765 -7.887 1.00 0.00 C ATOM 1061 O HIS A 71 12.126 6.281 -9.003 1.00 0.00 O ATOM 1062 CB HIS A 71 10.170 8.407 -8.584 1.00 0.00 C ATOM 1063 CG HIS A 71 11.029 9.632 -8.701 1.00 0.00 C ATOM 1064 ND1 HIS A 71 10.523 10.911 -8.604 1.00 0.00 N ATOM 1065 CD2 HIS A 71 12.356 9.778 -8.958 1.00 0.00 C ATOM 1066 CE1 HIS A 71 11.489 11.784 -8.791 1.00 0.00 C ATOM 1067 NE2 HIS A 71 12.606 11.130 -9.020 1.00 0.00 N ATOM 0 H HIS A 71 10.630 9.046 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 71 9.892 6.592 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.150 7.901 -9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.148 8.717 -8.366 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.077 8.984 -9.089 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.382 12.858 -8.761 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.512 11.556 -9.213 1.00 0.00 H new ATOM 1076 N MET A 72 12.918 6.770 -6.968 1.00 0.00 N ATOM 1077 CA MET A 72 14.216 6.145 -7.223 1.00 0.00 C ATOM 1078 C MET A 72 14.265 4.731 -6.628 1.00 0.00 C ATOM 1079 O MET A 72 15.220 3.989 -6.874 1.00 0.00 O ATOM 1080 CB MET A 72 15.330 6.974 -6.584 1.00 0.00 C ATOM 1081 CG MET A 72 15.246 8.451 -6.911 1.00 0.00 C ATOM 1082 SD MET A 72 16.615 9.391 -6.221 1.00 0.00 S ATOM 1083 CE MET A 72 17.990 8.707 -7.157 1.00 0.00 C ATOM 0 H MET A 72 12.825 7.195 -6.046 1.00 0.00 H new ATOM 0 HA MET A 72 14.355 6.092 -8.303 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.292 6.847 -5.502 1.00 0.00 H new ATOM 0 HB3 MET A 72 16.294 6.590 -6.917 1.00 0.00 H new ATOM 0 HG2 MET A 72 15.231 8.579 -7.993 1.00 0.00 H new ATOM 0 HG3 MET A 72 14.307 8.851 -6.529 1.00 0.00 H new ATOM 0 HE1 MET A 72 18.793 8.431 -6.474 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.656 7.823 -7.701 1.00 0.00 H new ATOM 0 HE3 MET A 72 18.355 9.452 -7.864 1.00 0.00 H new ATOM 1093 N LEU A 73 13.257 4.374 -5.849 1.00 0.00 N ATOM 1094 CA LEU A 73 13.245 3.112 -5.143 1.00 0.00 C ATOM 1095 C LEU A 73 12.325 2.120 -5.826 1.00 0.00 C ATOM 1096 O LEU A 73 11.228 2.468 -6.246 1.00 0.00 O ATOM 1097 CB LEU A 73 12.825 3.285 -3.680 1.00 0.00 C ATOM 1098 CG LEU A 73 13.859 3.908 -2.731 1.00 0.00 C ATOM 1099 CD1 LEU A 73 14.035 5.387 -3.010 1.00 0.00 C ATOM 1100 CD2 LEU A 73 13.446 3.700 -1.292 1.00 0.00 C ATOM 0 H LEU A 73 12.430 4.950 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 73 14.264 2.726 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.927 3.902 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.550 2.306 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 73 14.814 3.411 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.773 5.802 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.376 5.526 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.083 5.899 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.189 4.147 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.478 4.170 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.373 2.632 -1.085 1.00 0.00 H new ATOM 1112 N GLU A 74 12.789 0.886 -5.935 1.00 0.00 N ATOM 1113 CA GLU A 74 11.973 -0.208 -6.405 1.00 0.00 C ATOM 1114 C GLU A 74 11.398 -0.943 -5.215 1.00 0.00 C ATOM 1115 O GLU A 74 12.115 -1.234 -4.246 1.00 0.00 O ATOM 1116 CB GLU A 74 12.801 -1.169 -7.250 1.00 0.00 C ATOM 1117 CG GLU A 74 12.015 -2.292 -7.892 1.00 0.00 C ATOM 1118 CD GLU A 74 12.909 -3.293 -8.602 1.00 0.00 C ATOM 1119 OE1 GLU A 74 13.536 -4.121 -7.917 1.00 0.00 O ATOM 1120 OE2 GLU A 74 12.980 -3.254 -9.848 1.00 0.00 O ATOM 0 H GLU A 74 13.745 0.620 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 74 11.167 0.189 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.302 -0.601 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.580 -1.603 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.433 -2.807 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.305 -1.873 -8.605 1.00 0.00 H new ATOM 1127 N ILE A 75 10.123 -1.257 -5.265 1.00 0.00 N ATOM 1128 CA ILE A 75 9.455 -1.857 -4.124 1.00 0.00 C ATOM 1129 C ILE A 75 9.593 -3.380 -4.171 1.00 0.00 C ATOM 1130 O ILE A 75 9.032 -4.067 -5.018 1.00 0.00 O ATOM 1131 CB ILE A 75 7.954 -1.461 -4.032 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.259 -2.201 -2.881 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.236 -1.727 -5.346 1.00 0.00 C ATOM 1134 CD1 ILE A 75 5.818 -1.805 -2.679 1.00 0.00 C ATOM 0 H ILE A 75 9.526 -1.109 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 75 9.945 -1.470 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 75 7.907 -0.391 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.307 -3.273 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.809 -2.015 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.188 -1.441 -5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.702 -1.144 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.302 -2.788 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.398 -2.372 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.761 -0.739 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.252 -2.017 -3.586 1.00 0.00 H new ATOM 1146 N LEU A 76 10.398 -3.909 -3.265 1.00 0.00 N ATOM 1147 CA LEU A 76 10.564 -5.343 -3.162 1.00 0.00 C ATOM 1148 C LEU A 76 9.385 -5.929 -2.378 1.00 0.00 C ATOM 1149 O LEU A 76 8.731 -6.855 -2.842 1.00 0.00 O ATOM 1150 CB LEU A 76 11.885 -5.692 -2.471 1.00 0.00 C ATOM 1151 CG LEU A 76 13.149 -5.150 -3.162 1.00 0.00 C ATOM 1152 CD1 LEU A 76 14.399 -5.570 -2.397 1.00 0.00 C ATOM 1153 CD2 LEU A 76 13.202 -5.627 -4.614 1.00 0.00 C ATOM 0 H LEU A 76 10.943 -3.367 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 76 10.588 -5.771 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.855 -5.309 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.965 -6.777 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 76 13.110 -4.061 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.283 -5.178 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.354 -5.175 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.455 -6.658 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.100 -5.237 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.221 -6.717 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.322 -5.268 -5.147 1.00 0.00 H new ATOM 1165 N GLY A 77 9.140 -5.355 -1.219 1.00 0.00 N ATOM 1166 CA GLY A 77 8.032 -5.788 -0.401 1.00 0.00 C ATOM 1167 C GLY A 77 8.371 -7.015 0.408 1.00 0.00 C ATOM 1168 O GLY A 77 9.362 -7.020 1.149 1.00 0.00 O ATOM 0 H GLY A 77 9.691 -4.592 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.740 -4.981 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.173 -6.000 -1.037 1.00 0.00 H new ATOM 1172 N PHE A 78 7.557 -8.045 0.245 1.00 0.00 N ATOM 1173 CA PHE A 78 7.765 -9.309 0.932 1.00 0.00 C ATOM 1174 C PHE A 78 7.405 -10.448 -0.011 1.00 0.00 C ATOM 1175 O PHE A 78 7.182 -11.590 0.412 1.00 0.00 O ATOM 1176 CB PHE A 78 6.890 -9.386 2.193 1.00 0.00 C ATOM 1177 CG PHE A 78 7.225 -8.346 3.225 1.00 0.00 C ATOM 1178 CD1 PHE A 78 8.366 -8.439 4.000 1.00 0.00 C ATOM 1179 CD2 PHE A 78 6.367 -7.265 3.423 1.00 0.00 C ATOM 1180 CE1 PHE A 78 8.666 -7.486 4.948 1.00 0.00 C ATOM 1181 CE2 PHE A 78 6.664 -6.310 4.369 1.00 0.00 C ATOM 1182 CZ PHE A 78 7.813 -6.409 5.135 1.00 0.00 C ATOM 0 H PHE A 78 6.738 -8.029 -0.363 1.00 0.00 H new ATOM 0 HA PHE A 78 8.810 -9.387 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.844 -9.277 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.997 -10.375 2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.035 -9.275 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.467 -7.177 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.562 -7.577 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.994 -5.475 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.043 -5.654 5.872 1.00 0.00 H new ATOM 1192 N GLU A 79 7.382 -10.135 -1.308 1.00 0.00 N ATOM 1193 CA GLU A 79 6.970 -11.096 -2.323 1.00 0.00 C ATOM 1194 C GLU A 79 7.987 -12.223 -2.448 1.00 0.00 C ATOM 1195 O GLU A 79 7.689 -13.278 -3.003 1.00 0.00 O ATOM 1196 CB GLU A 79 6.807 -10.391 -3.672 1.00 0.00 C ATOM 1197 CG GLU A 79 8.074 -9.720 -4.178 1.00 0.00 C ATOM 1198 CD GLU A 79 7.934 -9.208 -5.588 1.00 0.00 C ATOM 1199 OE1 GLU A 79 7.942 -10.025 -6.526 1.00 0.00 O ATOM 1200 OE2 GLU A 79 7.825 -7.982 -5.768 1.00 0.00 O ATOM 0 H GLU A 79 7.645 -9.221 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 79 6.015 -11.526 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.473 -11.118 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.021 -9.641 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.330 -8.891 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.900 -10.430 -4.133 1.00 0.00 H new ATOM 1207 N GLU A 80 9.195 -11.994 -1.945 1.00 0.00 N ATOM 1208 CA GLU A 80 10.213 -13.016 -1.931 1.00 0.00 C ATOM 1209 C GLU A 80 9.698 -14.241 -1.205 1.00 0.00 C ATOM 1210 O GLU A 80 9.981 -15.366 -1.589 1.00 0.00 O ATOM 1211 CB GLU A 80 11.514 -12.529 -1.270 1.00 0.00 C ATOM 1212 CG GLU A 80 12.005 -11.176 -1.752 1.00 0.00 C ATOM 1213 CD GLU A 80 11.302 -10.020 -1.066 1.00 0.00 C ATOM 1214 OE1 GLU A 80 11.659 -9.687 0.084 1.00 0.00 O ATOM 1215 OE2 GLU A 80 10.359 -9.470 -1.672 1.00 0.00 O ATOM 0 H GLU A 80 9.486 -11.103 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 80 10.443 -13.265 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.361 -12.481 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.295 -13.268 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.078 -11.100 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.853 -11.101 -2.829 1.00 0.00 H new TER 1222 GLU A 80