USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 520 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 14 GLN : amide:sc= -0.629 K(o=-0.63,f=-6.6!) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 53 THR OG1 : rot -115:sc= 1.71 USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.142 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 4 SER OG : rot 76:sc= 0.34 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 30:sc= -0.355 USER MOD Single : A 22 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.19) USER MOD Single : A 23 ASN : amide:sc= -9.41! C(o=-9.4!,f=-10!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 35 TYR OH : rot -110:sc= -0.599 USER MOD Single : A 36 THR OG1 : rot 59:sc= -1.08 USER MOD Single : A 37 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 62 ASN : amide:sc= -2.38! C(o=-2.4!,f=-6.2!) USER MOD Single : A 65 THR OG1 : rot -30:sc= 0.721 USER MOD Single : A 68 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.014) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.87! USER MOD Single : A 74 THR OG1 : rot 61:sc= 0.605 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.901 13.610 14.278 1.00 10.00 N ATOM 2 CA ALA A 1 3.170 14.365 14.349 1.00 10.00 C ATOM 3 C ALA A 1 4.002 14.110 13.099 1.00 10.00 C ATOM 4 O ALA A 1 3.531 13.475 12.155 1.00 10.00 O ATOM 5 CB ALA A 1 3.951 13.977 15.601 1.00 10.00 C ATOM 0 H1 ALA A 1 1.100 14.268 14.367 1.00 10.00 H new ATOM 0 H2 ALA A 1 1.842 13.115 13.365 1.00 10.00 H new ATOM 0 H3 ALA A 1 1.866 12.916 15.051 1.00 10.00 H new ATOM 0 HA ALA A 1 2.942 15.429 14.404 1.00 10.00 H new ATOM 0 HB1 ALA A 1 4.883 14.542 15.638 1.00 10.00 H new ATOM 0 HB2 ALA A 1 3.355 14.201 16.486 1.00 10.00 H new ATOM 0 HB3 ALA A 1 4.174 12.910 15.575 1.00 10.00 H new ATOM 13 N THR A 2 5.224 14.622 13.083 1.00 10.00 N ATOM 14 CA THR A 2 6.122 14.411 11.960 1.00 10.00 C ATOM 15 C THR A 2 6.647 12.977 11.937 1.00 10.00 C ATOM 16 O THR A 2 7.668 12.659 12.551 1.00 10.00 O ATOM 17 CB THR A 2 7.294 15.407 12.001 1.00 10.00 C ATOM 18 OG1 THR A 2 7.342 16.044 13.289 1.00 10.00 O ATOM 19 CG2 THR A 2 7.148 16.457 10.910 1.00 10.00 C ATOM 0 H THR A 2 5.616 15.187 13.837 1.00 10.00 H new ATOM 0 HA THR A 2 5.554 14.582 11.046 1.00 10.00 H new ATOM 0 HB THR A 2 8.221 14.860 11.830 1.00 10.00 H new ATOM 0 HG1 THR A 2 8.090 16.677 13.313 1.00 10.00 H new ATOM 0 HG21 THR A 2 7.988 17.151 10.958 1.00 10.00 H new ATOM 0 HG22 THR A 2 7.135 15.969 9.935 1.00 10.00 H new ATOM 0 HG23 THR A 2 6.217 17.004 11.054 1.00 10.00 H new ATOM 27 N GLY A 3 5.905 12.112 11.266 1.00 10.00 N ATOM 28 CA GLY A 3 6.280 10.722 11.149 1.00 10.00 C ATOM 29 C GLY A 3 5.440 10.019 10.107 1.00 10.00 C ATOM 30 O GLY A 3 4.228 9.867 10.277 1.00 10.00 O ATOM 0 H GLY A 3 5.035 12.355 10.793 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.334 10.647 10.882 1.00 10.00 H new ATOM 0 HA3 GLY A 3 6.160 10.227 12.113 1.00 10.00 H new ATOM 34 N SER A 4 6.073 9.597 9.029 1.00 10.00 N ATOM 35 CA SER A 4 5.355 9.024 7.909 1.00 10.00 C ATOM 36 C SER A 4 5.298 7.501 8.013 1.00 10.00 C ATOM 37 O SER A 4 6.115 6.885 8.705 1.00 10.00 O ATOM 38 CB SER A 4 6.042 9.442 6.608 1.00 10.00 C ATOM 39 OG SER A 4 6.468 10.795 6.677 1.00 10.00 O ATOM 0 H SER A 4 7.085 9.641 8.906 1.00 10.00 H new ATOM 0 HA SER A 4 4.330 9.395 7.920 1.00 10.00 H new ATOM 0 HB2 SER A 4 6.899 8.795 6.419 1.00 10.00 H new ATOM 0 HB3 SER A 4 5.355 9.314 5.771 1.00 10.00 H new ATOM 0 HG SER A 4 7.276 10.856 7.229 1.00 10.00 H new ATOM 45 N PRO A 5 4.309 6.884 7.350 1.00 10.00 N ATOM 46 CA PRO A 5 4.187 5.423 7.274 1.00 10.00 C ATOM 47 C PRO A 5 5.332 4.796 6.484 1.00 10.00 C ATOM 48 O PRO A 5 5.930 5.441 5.616 1.00 10.00 O ATOM 49 CB PRO A 5 2.852 5.217 6.552 1.00 10.00 C ATOM 50 CG PRO A 5 2.631 6.471 5.785 1.00 10.00 C ATOM 51 CD PRO A 5 3.224 7.567 6.621 1.00 10.00 C ATOM 0 HA PRO A 5 4.227 4.952 8.256 1.00 10.00 H new ATOM 0 HB2 PRO A 5 2.891 4.352 5.890 1.00 10.00 H new ATOM 0 HB3 PRO A 5 2.043 5.040 7.261 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.110 6.422 4.807 1.00 10.00 H new ATOM 0 HG3 PRO A 5 1.569 6.642 5.611 1.00 10.00 H new ATOM 0 HD2 PRO A 5 3.603 8.383 6.006 1.00 10.00 H new ATOM 0 HD3 PRO A 5 2.489 7.997 7.302 1.00 10.00 H new ATOM 59 N VAL A 6 5.626 3.538 6.813 1.00 10.00 N ATOM 60 CA VAL A 6 6.687 2.756 6.170 1.00 10.00 C ATOM 61 C VAL A 6 8.010 3.548 6.085 1.00 10.00 C ATOM 62 O VAL A 6 8.341 4.313 6.989 1.00 10.00 O ATOM 63 CB VAL A 6 6.250 2.214 4.766 1.00 10.00 C ATOM 64 CG1 VAL A 6 4.849 1.665 4.797 1.00 10.00 C ATOM 65 CG2 VAL A 6 6.350 3.243 3.667 1.00 10.00 C ATOM 0 H VAL A 6 5.129 3.026 7.542 1.00 10.00 H new ATOM 0 HA VAL A 6 6.867 1.889 6.805 1.00 10.00 H new ATOM 0 HB VAL A 6 6.956 1.415 4.539 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.580 1.298 3.806 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.795 0.846 5.514 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.156 2.453 5.093 1.00 10.00 H new ATOM 0 HG21 VAL A 6 6.032 2.800 2.723 1.00 10.00 H new ATOM 0 HG22 VAL A 6 5.708 4.092 3.904 1.00 10.00 H new ATOM 0 HG23 VAL A 6 7.382 3.582 3.579 1.00 10.00 H new ATOM 75 N ALA A 7 8.766 3.315 5.012 1.00 10.00 N ATOM 76 CA ALA A 7 10.037 3.987 4.734 1.00 10.00 C ATOM 77 C ALA A 7 9.925 5.517 4.642 1.00 10.00 C ATOM 78 O ALA A 7 10.917 6.188 4.368 1.00 10.00 O ATOM 79 CB ALA A 7 10.580 3.443 3.423 1.00 10.00 C ATOM 0 H ALA A 7 8.506 2.638 4.295 1.00 10.00 H new ATOM 0 HA ALA A 7 10.704 3.783 5.572 1.00 10.00 H new ATOM 0 HB1 ALA A 7 11.528 3.928 3.193 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.735 2.368 3.512 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.867 3.642 2.623 1.00 10.00 H new ATOM 85 N GLU A 8 8.714 6.048 4.809 1.00 10.00 N ATOM 86 CA GLU A 8 8.444 7.497 4.770 1.00 10.00 C ATOM 87 C GLU A 8 8.581 8.097 3.361 1.00 10.00 C ATOM 88 O GLU A 8 7.974 9.127 3.068 1.00 10.00 O ATOM 89 CB GLU A 8 9.321 8.256 5.773 1.00 10.00 C ATOM 90 CG GLU A 8 9.064 7.842 7.212 1.00 10.00 C ATOM 91 CD GLU A 8 9.464 8.902 8.212 1.00 10.00 C ATOM 92 OE1 GLU A 8 8.706 9.880 8.382 1.00 10.00 O ATOM 93 OE2 GLU A 8 10.549 8.764 8.819 1.00 10.00 O ATOM 0 H GLU A 8 7.881 5.485 4.977 1.00 10.00 H new ATOM 0 HA GLU A 8 7.401 7.618 5.061 1.00 10.00 H new ATOM 0 HB2 GLU A 8 10.370 8.085 5.533 1.00 10.00 H new ATOM 0 HB3 GLU A 8 9.140 9.326 5.670 1.00 10.00 H new ATOM 0 HG2 GLU A 8 8.005 7.615 7.335 1.00 10.00 H new ATOM 0 HG3 GLU A 8 9.613 6.925 7.424 1.00 10.00 H new ATOM 100 N CYS A 9 9.364 7.458 2.495 1.00 10.00 N ATOM 101 CA CYS A 9 9.541 7.945 1.122 1.00 10.00 C ATOM 102 C CYS A 9 8.346 7.581 0.245 1.00 10.00 C ATOM 103 O CYS A 9 8.191 8.117 -0.845 1.00 10.00 O ATOM 104 CB CYS A 9 10.811 7.369 0.477 1.00 10.00 C ATOM 105 SG CYS A 9 12.379 7.946 1.192 1.00 10.00 S ATOM 0 H CYS A 9 9.884 6.608 2.713 1.00 10.00 H new ATOM 0 HA CYS A 9 9.629 9.029 1.189 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.775 6.282 0.552 1.00 10.00 H new ATOM 0 HB3 CYS A 9 10.803 7.616 -0.585 1.00 10.00 H new ATOM 110 N VAL A 10 7.514 6.664 0.709 1.00 10.00 N ATOM 111 CA VAL A 10 6.410 6.168 -0.102 1.00 10.00 C ATOM 112 C VAL A 10 5.105 6.849 0.314 1.00 10.00 C ATOM 113 O VAL A 10 4.904 7.134 1.496 1.00 10.00 O ATOM 114 CB VAL A 10 6.291 4.615 -0.014 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.484 4.013 0.715 1.00 10.00 C ATOM 116 CG2 VAL A 10 4.987 4.169 0.640 1.00 10.00 C ATOM 0 H VAL A 10 7.579 6.248 1.638 1.00 10.00 H new ATOM 0 HA VAL A 10 6.612 6.415 -1.144 1.00 10.00 H new ATOM 0 HB VAL A 10 6.285 4.245 -1.039 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.373 2.930 0.761 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.401 4.262 0.180 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.533 4.416 1.727 1.00 10.00 H new ATOM 0 HG21 VAL A 10 4.953 3.080 0.677 1.00 10.00 H new ATOM 0 HG22 VAL A 10 4.932 4.569 1.653 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.143 4.539 0.058 1.00 10.00 H new ATOM 126 N GLU A 11 4.232 7.129 -0.650 1.00 10.00 N ATOM 127 CA GLU A 11 2.989 7.830 -0.363 1.00 10.00 C ATOM 128 C GLU A 11 1.844 7.252 -1.194 1.00 10.00 C ATOM 129 O GLU A 11 1.951 7.157 -2.414 1.00 10.00 O ATOM 130 CB GLU A 11 3.165 9.325 -0.654 1.00 10.00 C ATOM 131 CG GLU A 11 1.923 10.167 -0.408 1.00 10.00 C ATOM 132 CD GLU A 11 2.166 11.641 -0.671 1.00 10.00 C ATOM 133 OE1 GLU A 11 2.549 11.997 -1.805 1.00 10.00 O ATOM 134 OE2 GLU A 11 1.979 12.451 0.263 1.00 10.00 O ATOM 0 H GLU A 11 4.363 6.882 -1.631 1.00 10.00 H new ATOM 0 HA GLU A 11 2.741 7.700 0.690 1.00 10.00 H new ATOM 0 HB2 GLU A 11 3.977 9.709 -0.036 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.470 9.446 -1.693 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.115 9.814 -1.049 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.594 10.033 0.623 1.00 10.00 H new ATOM 141 N TYR A 12 0.763 6.841 -0.536 1.00 10.00 N ATOM 142 CA TYR A 12 -0.379 6.282 -1.251 1.00 10.00 C ATOM 143 C TYR A 12 -1.468 7.312 -1.526 1.00 10.00 C ATOM 144 O TYR A 12 -1.515 8.386 -0.921 1.00 10.00 O ATOM 145 CB TYR A 12 -0.975 5.057 -0.528 1.00 10.00 C ATOM 146 CG TYR A 12 -1.465 5.266 0.906 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.841 6.514 1.391 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.563 4.183 1.772 1.00 10.00 C ATOM 149 CE1 TYR A 12 -2.289 6.674 2.689 1.00 10.00 C ATOM 150 CE2 TYR A 12 -2.009 4.334 3.065 1.00 10.00 C ATOM 151 CZ TYR A 12 -2.372 5.580 3.523 1.00 10.00 C ATOM 152 OH TYR A 12 -2.820 5.735 4.815 1.00 10.00 O ATOM 0 H TYR A 12 0.655 6.884 0.477 1.00 10.00 H new ATOM 0 HA TYR A 12 0.014 5.955 -2.213 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.812 4.688 -1.121 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.221 4.270 -0.517 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.782 7.375 0.741 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.283 3.201 1.422 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -2.573 7.652 3.048 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -2.074 3.477 3.719 1.00 10.00 H new ATOM 0 HH TYR A 12 -2.819 4.866 5.268 1.00 10.00 H new ATOM 162 N PHE A 13 -2.325 6.960 -2.460 1.00 10.00 N ATOM 163 CA PHE A 13 -3.522 7.711 -2.755 1.00 10.00 C ATOM 164 C PHE A 13 -4.616 6.716 -3.113 1.00 10.00 C ATOM 165 O PHE A 13 -4.360 5.726 -3.796 1.00 10.00 O ATOM 166 CB PHE A 13 -3.277 8.685 -3.908 1.00 10.00 C ATOM 167 CG PHE A 13 -4.434 9.599 -4.199 1.00 10.00 C ATOM 168 CD1 PHE A 13 -4.696 10.690 -3.385 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.261 9.363 -5.286 1.00 10.00 C ATOM 170 CE1 PHE A 13 -5.765 11.526 -3.651 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.328 10.195 -5.557 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.569 11.296 -4.737 1.00 10.00 C ATOM 0 H PHE A 13 -2.206 6.132 -3.043 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.820 8.303 -1.890 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.400 9.290 -3.678 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -3.044 8.115 -4.807 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -4.060 10.889 -2.535 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -5.068 8.517 -5.929 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -5.967 12.364 -3.000 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -6.973 9.994 -6.400 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.387 11.966 -4.957 1.00 10.00 H new ATOM 182 N GLN A 14 -5.817 6.944 -2.622 1.00 10.00 N ATOM 183 CA GLN A 14 -6.892 5.995 -2.829 1.00 10.00 C ATOM 184 C GLN A 14 -7.855 6.486 -3.901 1.00 10.00 C ATOM 185 O GLN A 14 -8.349 7.608 -3.841 1.00 10.00 O ATOM 186 CB GLN A 14 -7.649 5.728 -1.521 1.00 10.00 C ATOM 187 CG GLN A 14 -6.786 5.128 -0.412 1.00 10.00 C ATOM 188 CD GLN A 14 -6.100 6.169 0.465 1.00 10.00 C ATOM 189 OE1 GLN A 14 -5.808 7.281 0.036 1.00 10.00 O ATOM 190 NE2 GLN A 14 -5.827 5.802 1.709 1.00 10.00 N ATOM 0 H GLN A 14 -6.072 7.770 -2.081 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.445 5.060 -3.168 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.080 6.664 -1.165 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -8.480 5.053 -1.726 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -7.409 4.491 0.216 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -6.027 4.488 -0.861 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -6.084 4.870 2.034 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -5.360 6.452 2.342 1.00 10.00 H new ATOM 199 N SER A 15 -8.100 5.636 -4.884 1.00 10.00 N ATOM 200 CA SER A 15 -9.037 5.931 -5.947 1.00 10.00 C ATOM 201 C SER A 15 -9.980 4.749 -6.129 1.00 10.00 C ATOM 202 O SER A 15 -10.185 3.965 -5.196 1.00 10.00 O ATOM 203 CB SER A 15 -8.282 6.223 -7.244 1.00 10.00 C ATOM 204 OG SER A 15 -7.450 7.361 -7.100 1.00 10.00 O ATOM 0 H SER A 15 -7.653 4.723 -4.965 1.00 10.00 H new ATOM 0 HA SER A 15 -9.621 6.814 -5.686 1.00 10.00 H new ATOM 0 HB2 SER A 15 -7.678 5.359 -7.520 1.00 10.00 H new ATOM 0 HB3 SER A 15 -8.993 6.387 -8.054 1.00 10.00 H new ATOM 0 HG SER A 15 -6.976 7.528 -7.941 1.00 10.00 H new ATOM 210 N TRP A 16 -10.552 4.623 -7.319 1.00 10.00 N ATOM 211 CA TRP A 16 -11.464 3.531 -7.619 1.00 10.00 C ATOM 212 C TRP A 16 -10.746 2.183 -7.534 1.00 10.00 C ATOM 213 O TRP A 16 -10.095 1.752 -8.485 1.00 10.00 O ATOM 214 CB TRP A 16 -12.080 3.730 -9.009 1.00 10.00 C ATOM 215 CG TRP A 16 -13.107 2.701 -9.379 1.00 10.00 C ATOM 216 CD1 TRP A 16 -12.938 1.651 -10.233 1.00 10.00 C ATOM 217 CD2 TRP A 16 -14.459 2.622 -8.908 1.00 10.00 C ATOM 218 NE1 TRP A 16 -14.098 0.923 -10.322 1.00 10.00 N ATOM 219 CE2 TRP A 16 -15.050 1.499 -9.521 1.00 10.00 C ATOM 220 CE3 TRP A 16 -15.228 3.392 -8.032 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -16.371 1.127 -9.283 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -16.539 3.023 -7.798 1.00 10.00 C ATOM 223 CH2 TRP A 16 -17.098 1.900 -8.421 1.00 10.00 C ATOM 0 H TRP A 16 -10.399 5.268 -8.095 1.00 10.00 H new ATOM 0 HA TRP A 16 -12.263 3.532 -6.878 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -12.539 4.718 -9.053 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -11.283 3.716 -9.753 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -12.024 1.425 -10.762 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -14.231 0.088 -10.892 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -14.806 4.260 -7.547 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -16.804 0.261 -9.761 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -17.143 3.611 -7.123 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -18.126 1.639 -8.216 1.00 10.00 H new ATOM 234 N ARG A 17 -10.832 1.558 -6.355 1.00 10.00 N ATOM 235 CA ARG A 17 -10.320 0.204 -6.129 1.00 10.00 C ATOM 236 C ARG A 17 -8.806 0.130 -6.361 1.00 10.00 C ATOM 237 O ARG A 17 -8.271 -0.919 -6.709 1.00 10.00 O ATOM 238 CB ARG A 17 -11.071 -0.790 -7.029 1.00 10.00 C ATOM 239 CG ARG A 17 -12.575 -0.756 -6.808 1.00 10.00 C ATOM 240 CD ARG A 17 -13.323 -1.651 -7.778 1.00 10.00 C ATOM 241 NE ARG A 17 -14.772 -1.565 -7.573 1.00 10.00 N ATOM 242 CZ ARG A 17 -15.668 -2.325 -8.209 1.00 10.00 C ATOM 243 NH1 ARG A 17 -15.279 -3.216 -9.108 1.00 10.00 N ATOM 244 NH2 ARG A 17 -16.965 -2.187 -7.952 1.00 10.00 N ATOM 0 H ARG A 17 -11.259 1.978 -5.530 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.494 -0.064 -5.087 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -10.856 -0.564 -8.073 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -10.702 -1.798 -6.838 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -12.796 -1.067 -5.787 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -12.932 0.268 -6.914 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -13.081 -1.364 -8.801 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -12.996 -2.683 -7.650 1.00 10.00 H new ATOM 0 HE ARG A 17 -15.119 -0.880 -6.901 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -14.288 -3.327 -9.320 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -15.971 -3.792 -9.588 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -17.279 -1.499 -7.267 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -17.646 -2.769 -8.439 1.00 10.00 H new ATOM 258 N TYR A 18 -8.118 1.238 -6.109 1.00 10.00 N ATOM 259 CA TYR A 18 -6.689 1.336 -6.362 1.00 10.00 C ATOM 260 C TYR A 18 -6.047 2.241 -5.333 1.00 10.00 C ATOM 261 O TYR A 18 -6.271 3.449 -5.348 1.00 10.00 O ATOM 262 CB TYR A 18 -6.444 1.945 -7.736 1.00 10.00 C ATOM 263 CG TYR A 18 -5.414 1.241 -8.595 1.00 10.00 C ATOM 264 CD1 TYR A 18 -4.043 1.451 -8.438 1.00 10.00 C ATOM 265 CD2 TYR A 18 -5.832 0.374 -9.593 1.00 10.00 C ATOM 266 CE1 TYR A 18 -3.132 0.817 -9.256 1.00 10.00 C ATOM 267 CE2 TYR A 18 -4.925 -0.267 -10.412 1.00 10.00 C ATOM 268 CZ TYR A 18 -3.575 -0.041 -10.241 1.00 10.00 C ATOM 269 OH TYR A 18 -2.664 -0.669 -11.059 1.00 10.00 O ATOM 0 H TYR A 18 -8.534 2.087 -5.726 1.00 10.00 H new ATOM 0 HA TYR A 18 -6.261 0.335 -6.310 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.390 1.964 -8.278 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -6.132 2.981 -7.603 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.691 2.119 -7.666 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -6.888 0.197 -9.732 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -2.074 0.992 -9.126 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -5.270 -0.941 -11.182 1.00 10.00 H new ATOM 0 HH TYR A 18 -3.138 -1.240 -11.699 1.00 10.00 H new ATOM 279 N THR A 19 -5.321 1.661 -4.405 1.00 10.00 N ATOM 280 CA THR A 19 -4.466 2.431 -3.532 1.00 10.00 C ATOM 281 C THR A 19 -3.043 2.469 -4.094 1.00 10.00 C ATOM 282 O THR A 19 -2.312 1.480 -4.023 1.00 10.00 O ATOM 283 CB THR A 19 -4.505 1.838 -2.113 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.776 2.135 -1.521 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.375 2.359 -1.230 1.00 10.00 C ATOM 0 H THR A 19 -5.306 0.655 -4.235 1.00 10.00 H new ATOM 0 HA THR A 19 -4.825 3.459 -3.475 1.00 10.00 H new ATOM 0 HB THR A 19 -4.366 0.760 -2.193 1.00 10.00 H new ATOM 0 HG1 THR A 19 -6.458 2.193 -2.222 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.450 1.909 -0.240 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.415 2.098 -1.676 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.452 3.443 -1.142 1.00 10.00 H new ATOM 293 N ASP A 20 -2.692 3.594 -4.712 1.00 10.00 N ATOM 294 CA ASP A 20 -1.371 3.764 -5.310 1.00 10.00 C ATOM 295 C ASP A 20 -0.366 4.301 -4.315 1.00 10.00 C ATOM 296 O ASP A 20 -0.447 5.445 -3.900 1.00 10.00 O ATOM 297 CB ASP A 20 -1.398 4.691 -6.532 1.00 10.00 C ATOM 298 CG ASP A 20 -2.167 5.980 -6.333 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.402 5.964 -6.506 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.543 6.993 -5.952 1.00 10.00 O ATOM 0 H ASP A 20 -3.306 4.403 -4.812 1.00 10.00 H new ATOM 0 HA ASP A 20 -1.066 2.768 -5.630 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.372 4.935 -6.808 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -1.834 4.150 -7.372 1.00 10.00 H new ATOM 305 N VAL A 21 0.598 3.481 -3.945 1.00 10.00 N ATOM 306 CA VAL A 21 1.691 3.953 -3.119 1.00 10.00 C ATOM 307 C VAL A 21 2.898 4.204 -3.999 1.00 10.00 C ATOM 308 O VAL A 21 3.492 3.287 -4.567 1.00 10.00 O ATOM 309 CB VAL A 21 2.014 3.018 -1.908 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.138 1.782 -1.899 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.484 2.620 -1.838 1.00 10.00 C ATOM 0 H VAL A 21 0.647 2.495 -4.200 1.00 10.00 H new ATOM 0 HA VAL A 21 1.383 4.889 -2.654 1.00 10.00 H new ATOM 0 HB VAL A 21 1.793 3.608 -1.018 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.395 1.160 -1.042 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.091 2.078 -1.831 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.296 1.217 -2.818 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.645 1.971 -0.977 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.761 2.089 -2.749 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.099 3.515 -1.738 1.00 10.00 H new ATOM 321 N HIS A 22 3.178 5.474 -4.187 1.00 10.00 N ATOM 322 CA HIS A 22 4.330 5.894 -4.945 1.00 10.00 C ATOM 323 C HIS A 22 5.475 6.220 -4.010 1.00 10.00 C ATOM 324 O HIS A 22 5.384 7.138 -3.195 1.00 10.00 O ATOM 325 CB HIS A 22 4.011 7.090 -5.858 1.00 10.00 C ATOM 326 CG HIS A 22 3.032 8.081 -5.311 1.00 10.00 C ATOM 327 ND1 HIS A 22 3.407 9.253 -4.699 1.00 10.00 N ATOM 328 CD2 HIS A 22 1.677 8.081 -5.328 1.00 10.00 C ATOM 329 CE1 HIS A 22 2.327 9.933 -4.361 1.00 10.00 C ATOM 330 NE2 HIS A 22 1.263 9.244 -4.732 1.00 10.00 N ATOM 0 H HIS A 22 2.615 6.241 -3.819 1.00 10.00 H new ATOM 0 HA HIS A 22 4.625 5.068 -5.592 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.942 7.612 -6.081 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.625 6.709 -6.803 1.00 10.00 H new ATOM 0 HD2 HIS A 22 1.042 7.309 -5.735 1.00 10.00 H new ATOM 0 HE1 HIS A 22 2.315 10.892 -3.864 1.00 10.00 H new ATOM 0 HE2 HIS A 22 0.293 9.530 -4.597 1.00 10.00 H new ATOM 339 N ASN A 23 6.532 5.434 -4.101 1.00 10.00 N ATOM 340 CA ASN A 23 7.722 5.669 -3.311 1.00 10.00 C ATOM 341 C ASN A 23 8.570 6.761 -3.967 1.00 10.00 C ATOM 342 O ASN A 23 8.467 6.986 -5.167 1.00 10.00 O ATOM 343 CB ASN A 23 8.524 4.366 -3.168 1.00 10.00 C ATOM 344 CG ASN A 23 9.921 4.569 -2.617 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.864 4.800 -3.362 1.00 10.00 O ATOM 346 ND2 ASN A 23 10.067 4.470 -1.306 1.00 10.00 N ATOM 0 H ASN A 23 6.588 4.624 -4.718 1.00 10.00 H new ATOM 0 HA ASN A 23 7.435 6.004 -2.314 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.980 3.685 -2.514 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.594 3.884 -4.143 1.00 10.00 H new ATOM 0 HD21 ASN A 23 10.989 4.587 -0.885 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.258 4.276 -0.716 1.00 10.00 H new ATOM 353 N GLY A 24 9.366 7.463 -3.177 1.00 10.00 N ATOM 354 CA GLY A 24 10.282 8.438 -3.733 1.00 10.00 C ATOM 355 C GLY A 24 11.667 8.356 -3.115 1.00 10.00 C ATOM 356 O GLY A 24 12.406 9.341 -3.096 1.00 10.00 O ATOM 0 H GLY A 24 9.395 7.376 -2.161 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.359 8.286 -4.810 1.00 10.00 H new ATOM 0 HA3 GLY A 24 9.878 9.439 -3.580 1.00 10.00 H new ATOM 360 N CYS A 25 12.014 7.181 -2.605 1.00 10.00 N ATOM 361 CA CYS A 25 13.334 6.939 -2.050 1.00 10.00 C ATOM 362 C CYS A 25 14.258 6.471 -3.162 1.00 10.00 C ATOM 363 O CYS A 25 13.794 6.097 -4.237 1.00 10.00 O ATOM 364 CB CYS A 25 13.274 5.892 -0.938 1.00 10.00 C ATOM 365 SG CYS A 25 13.728 6.494 0.729 1.00 10.00 S ATOM 0 H CYS A 25 11.390 6.375 -2.566 1.00 10.00 H new ATOM 0 HA CYS A 25 13.715 7.864 -1.617 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.263 5.487 -0.897 1.00 10.00 H new ATOM 0 HB3 CYS A 25 13.937 5.068 -1.202 1.00 10.00 H new ATOM 370 N ALA A 26 15.555 6.504 -2.916 1.00 10.00 N ATOM 371 CA ALA A 26 16.528 6.087 -3.923 1.00 10.00 C ATOM 372 C ALA A 26 16.660 4.570 -3.997 1.00 10.00 C ATOM 373 O ALA A 26 17.207 4.033 -4.960 1.00 10.00 O ATOM 374 CB ALA A 26 17.878 6.726 -3.645 1.00 10.00 C ATOM 0 H ALA A 26 15.963 6.813 -2.034 1.00 10.00 H new ATOM 0 HA ALA A 26 16.164 6.427 -4.892 1.00 10.00 H new ATOM 0 HB1 ALA A 26 18.594 6.407 -4.402 1.00 10.00 H new ATOM 0 HB2 ALA A 26 17.779 7.811 -3.673 1.00 10.00 H new ATOM 0 HB3 ALA A 26 18.230 6.419 -2.660 1.00 10.00 H new ATOM 380 N ASP A 27 16.170 3.886 -2.978 1.00 10.00 N ATOM 381 CA ASP A 27 16.321 2.446 -2.891 1.00 10.00 C ATOM 382 C ASP A 27 14.984 1.750 -2.649 1.00 10.00 C ATOM 383 O ASP A 27 14.029 2.353 -2.153 1.00 10.00 O ATOM 384 CB ASP A 27 17.306 2.103 -1.774 1.00 10.00 C ATOM 385 CG ASP A 27 16.808 2.514 -0.400 1.00 10.00 C ATOM 386 OD1 ASP A 27 16.580 3.723 -0.178 1.00 10.00 O ATOM 387 OD2 ASP A 27 16.621 1.626 0.461 1.00 10.00 O ATOM 0 H ASP A 27 15.664 4.306 -2.199 1.00 10.00 H new ATOM 0 HA ASP A 27 16.707 2.087 -3.845 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.495 1.030 -1.780 1.00 10.00 H new ATOM 0 HB3 ASP A 27 18.258 2.595 -1.972 1.00 10.00 H new ATOM 392 N ALA A 28 14.937 0.483 -3.034 1.00 10.00 N ATOM 393 CA ALA A 28 13.751 -0.349 -2.889 1.00 10.00 C ATOM 394 C ALA A 28 13.405 -0.584 -1.424 1.00 10.00 C ATOM 395 O ALA A 28 14.241 -1.046 -0.646 1.00 10.00 O ATOM 396 CB ALA A 28 13.982 -1.678 -3.592 1.00 10.00 C ATOM 0 H ALA A 28 15.728 -0.001 -3.460 1.00 10.00 H new ATOM 0 HA ALA A 28 12.908 0.171 -3.345 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.096 -2.304 -3.486 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.177 -1.501 -4.650 1.00 10.00 H new ATOM 0 HB3 ALA A 28 14.839 -2.182 -3.145 1.00 10.00 H new ATOM 402 N VAL A 29 12.169 -0.285 -1.058 1.00 10.00 N ATOM 403 CA VAL A 29 11.714 -0.475 0.316 1.00 10.00 C ATOM 404 C VAL A 29 10.484 -1.347 0.364 1.00 10.00 C ATOM 405 O VAL A 29 9.641 -1.299 -0.519 1.00 10.00 O ATOM 406 CB VAL A 29 11.410 0.854 1.041 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.651 1.721 1.128 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.286 1.612 0.359 1.00 10.00 C ATOM 0 H VAL A 29 11.461 0.090 -1.690 1.00 10.00 H new ATOM 0 HA VAL A 29 12.540 -0.962 0.835 1.00 10.00 H new ATOM 0 HB VAL A 29 11.088 0.607 2.052 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.410 2.651 1.643 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.427 1.191 1.680 1.00 10.00 H new ATOM 0 HG13 VAL A 29 13.009 1.945 0.123 1.00 10.00 H new ATOM 0 HG21 VAL A 29 10.097 2.542 0.894 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.570 1.836 -0.669 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.382 1.002 0.361 1.00 10.00 H new ATOM 418 N SER A 30 10.377 -2.133 1.408 1.00 10.00 N ATOM 419 CA SER A 30 9.274 -3.054 1.543 1.00 10.00 C ATOM 420 C SER A 30 8.184 -2.422 2.377 1.00 10.00 C ATOM 421 O SER A 30 8.415 -1.991 3.504 1.00 10.00 O ATOM 422 CB SER A 30 9.766 -4.343 2.180 1.00 10.00 C ATOM 423 OG SER A 30 10.995 -4.762 1.601 1.00 10.00 O ATOM 0 H SER A 30 11.043 -2.153 2.180 1.00 10.00 H new ATOM 0 HA SER A 30 8.864 -3.287 0.560 1.00 10.00 H new ATOM 0 HB2 SER A 30 9.897 -4.196 3.252 1.00 10.00 H new ATOM 0 HB3 SER A 30 9.016 -5.124 2.054 1.00 10.00 H new ATOM 0 HG SER A 30 11.292 -5.592 2.029 1.00 10.00 H new ATOM 429 N VAL A 31 7.002 -2.340 1.806 1.00 10.00 N ATOM 430 CA VAL A 31 5.893 -1.706 2.470 1.00 10.00 C ATOM 431 C VAL A 31 4.715 -2.670 2.591 1.00 10.00 C ATOM 432 O VAL A 31 4.560 -3.587 1.796 1.00 10.00 O ATOM 433 CB VAL A 31 5.453 -0.412 1.721 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.643 0.274 1.038 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.331 -0.692 0.711 1.00 10.00 C ATOM 0 H VAL A 31 6.788 -2.707 0.879 1.00 10.00 H new ATOM 0 HA VAL A 31 6.222 -1.426 3.471 1.00 10.00 H new ATOM 0 HB VAL A 31 5.058 0.271 2.473 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.300 1.173 0.525 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.386 0.545 1.788 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.090 -0.408 0.315 1.00 10.00 H new ATOM 0 HG21 VAL A 31 4.053 0.235 0.210 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.679 -1.414 -0.028 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.464 -1.097 1.233 1.00 10.00 H new ATOM 445 N THR A 32 3.930 -2.465 3.617 1.00 10.00 N ATOM 446 CA THR A 32 2.712 -3.215 3.840 1.00 10.00 C ATOM 447 C THR A 32 1.569 -2.242 4.113 1.00 10.00 C ATOM 448 O THR A 32 1.806 -1.077 4.419 1.00 10.00 O ATOM 449 CB THR A 32 2.856 -4.242 5.008 1.00 10.00 C ATOM 450 OG1 THR A 32 1.688 -4.245 5.831 1.00 10.00 O ATOM 451 CG2 THR A 32 4.068 -3.962 5.879 1.00 10.00 C ATOM 0 H THR A 32 4.118 -1.764 4.333 1.00 10.00 H new ATOM 0 HA THR A 32 2.498 -3.794 2.942 1.00 10.00 H new ATOM 0 HB THR A 32 2.986 -5.218 4.541 1.00 10.00 H new ATOM 0 HG1 THR A 32 1.799 -4.896 6.555 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.123 -4.704 6.676 1.00 10.00 H new ATOM 0 HG22 THR A 32 4.972 -4.014 5.272 1.00 10.00 H new ATOM 0 HG23 THR A 32 3.981 -2.967 6.315 1.00 10.00 H new ATOM 459 N VAL A 33 0.341 -2.716 3.998 1.00 10.00 N ATOM 460 CA VAL A 33 -0.827 -1.871 4.156 1.00 10.00 C ATOM 461 C VAL A 33 -1.854 -2.563 5.013 1.00 10.00 C ATOM 462 O VAL A 33 -2.189 -3.724 4.783 1.00 10.00 O ATOM 463 CB VAL A 33 -1.492 -1.506 2.817 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.262 -0.051 2.477 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.970 -2.391 1.715 1.00 10.00 C ATOM 0 H VAL A 33 0.127 -3.692 3.794 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.475 -0.952 4.624 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.566 -1.665 2.916 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.742 0.181 1.526 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.686 0.577 3.260 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.192 0.140 2.399 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.449 -2.121 0.774 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.108 -2.261 1.624 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.191 -3.432 1.949 1.00 10.00 H new ATOM 475 N GLU A 34 -2.347 -1.848 5.987 1.00 10.00 N ATOM 476 CA GLU A 34 -3.324 -2.382 6.890 1.00 10.00 C ATOM 477 C GLU A 34 -4.693 -1.839 6.519 1.00 10.00 C ATOM 478 O GLU A 34 -4.921 -0.622 6.552 1.00 10.00 O ATOM 479 CB GLU A 34 -2.934 -2.017 8.318 1.00 10.00 C ATOM 480 CG GLU A 34 -3.705 -2.775 9.385 1.00 10.00 C ATOM 481 CD GLU A 34 -3.088 -2.623 10.757 1.00 10.00 C ATOM 482 OE1 GLU A 34 -3.422 -1.649 11.461 1.00 10.00 O ATOM 483 OE2 GLU A 34 -2.269 -3.481 11.144 1.00 10.00 O ATOM 0 H GLU A 34 -2.082 -0.881 6.175 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.364 -3.469 6.820 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -1.869 -2.206 8.452 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.089 -0.948 8.464 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -4.734 -2.416 9.410 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -3.742 -3.832 9.121 1.00 10.00 H new ATOM 490 N TYR A 35 -5.580 -2.734 6.098 1.00 10.00 N ATOM 491 CA TYR A 35 -6.923 -2.332 5.713 1.00 10.00 C ATOM 492 C TYR A 35 -7.834 -2.287 6.918 1.00 10.00 C ATOM 493 O TYR A 35 -7.530 -2.855 7.966 1.00 10.00 O ATOM 494 CB TYR A 35 -7.544 -3.272 4.667 1.00 10.00 C ATOM 495 CG TYR A 35 -6.665 -3.533 3.469 1.00 10.00 C ATOM 496 CD1 TYR A 35 -6.723 -2.696 2.368 1.00 10.00 C ATOM 497 CD2 TYR A 35 -5.793 -4.617 3.431 1.00 10.00 C ATOM 498 CE1 TYR A 35 -5.936 -2.925 1.261 1.00 10.00 C ATOM 499 CE2 TYR A 35 -5.003 -4.849 2.326 1.00 10.00 C ATOM 500 CZ TYR A 35 -5.082 -3.998 1.244 1.00 10.00 C ATOM 501 OH TYR A 35 -4.296 -4.213 0.143 1.00 10.00 O ATOM 0 H TYR A 35 -5.394 -3.733 6.016 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.827 -1.340 5.272 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.780 -4.223 5.144 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.487 -2.845 4.325 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -7.395 -1.851 2.377 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -5.735 -5.285 4.278 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -5.991 -2.262 0.410 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -4.327 -5.691 2.308 1.00 10.00 H new ATOM 0 HH TYR A 35 -4.608 -5.012 -0.331 1.00 10.00 H new ATOM 511 N THR A 36 -8.948 -1.596 6.744 1.00 10.00 N ATOM 512 CA THR A 36 -10.018 -1.545 7.728 1.00 10.00 C ATOM 513 C THR A 36 -10.441 -2.947 8.211 1.00 10.00 C ATOM 514 O THR A 36 -10.994 -3.095 9.301 1.00 10.00 O ATOM 515 CB THR A 36 -11.228 -0.793 7.121 1.00 10.00 C ATOM 516 OG1 THR A 36 -10.818 0.518 6.728 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.406 -0.689 8.093 1.00 10.00 C ATOM 0 H THR A 36 -9.138 -1.048 5.905 1.00 10.00 H new ATOM 0 HA THR A 36 -9.647 -1.013 8.604 1.00 10.00 H new ATOM 0 HB THR A 36 -11.570 -1.366 6.259 1.00 10.00 H new ATOM 0 HG1 THR A 36 -10.091 0.451 6.075 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.226 -0.153 7.615 1.00 10.00 H new ATOM 0 HG22 THR A 36 -12.739 -1.689 8.369 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.093 -0.151 8.988 1.00 10.00 H new ATOM 525 N HIS A 37 -10.187 -3.977 7.404 1.00 10.00 N ATOM 526 CA HIS A 37 -10.467 -5.347 7.830 1.00 10.00 C ATOM 527 C HIS A 37 -9.254 -6.246 7.569 1.00 10.00 C ATOM 528 O HIS A 37 -8.524 -6.606 8.493 1.00 10.00 O ATOM 529 CB HIS A 37 -11.710 -5.922 7.132 1.00 10.00 C ATOM 530 CG HIS A 37 -12.936 -5.081 7.272 1.00 10.00 C ATOM 531 ND1 HIS A 37 -13.930 -5.320 8.194 1.00 10.00 N ATOM 532 CD2 HIS A 37 -13.329 -3.994 6.578 1.00 10.00 C ATOM 533 CE1 HIS A 37 -14.880 -4.414 8.057 1.00 10.00 C ATOM 534 NE2 HIS A 37 -14.538 -3.599 7.082 1.00 10.00 N ATOM 0 H HIS A 37 -9.794 -3.892 6.467 1.00 10.00 H new ATOM 0 HA HIS A 37 -10.671 -5.319 8.900 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -11.491 -6.051 6.072 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -11.915 -6.913 7.538 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -12.788 -3.521 5.771 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -15.784 -4.352 8.645 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -15.085 -2.803 6.755 1.00 10.00 H new ATOM 543 N GLY A 38 -9.028 -6.577 6.302 1.00 10.00 N ATOM 544 CA GLY A 38 -7.964 -7.490 5.933 1.00 10.00 C ATOM 545 C GLY A 38 -8.347 -8.270 4.696 1.00 10.00 C ATOM 546 O GLY A 38 -9.464 -8.778 4.604 1.00 10.00 O ATOM 0 H GLY A 38 -9.572 -6.223 5.515 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.045 -6.933 5.750 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -7.763 -8.176 6.756 1.00 10.00 H new ATOM 550 N GLN A 39 -7.433 -8.365 3.744 1.00 10.00 N ATOM 551 CA GLN A 39 -7.744 -8.987 2.459 1.00 10.00 C ATOM 552 C GLN A 39 -6.474 -9.501 1.797 1.00 10.00 C ATOM 553 O GLN A 39 -6.416 -9.664 0.583 1.00 10.00 O ATOM 554 CB GLN A 39 -8.440 -7.959 1.548 1.00 10.00 C ATOM 555 CG GLN A 39 -9.635 -8.492 0.755 1.00 10.00 C ATOM 556 CD GLN A 39 -9.259 -9.544 -0.269 1.00 10.00 C ATOM 557 OE1 GLN A 39 -9.256 -10.741 0.017 1.00 10.00 O ATOM 558 NE2 GLN A 39 -8.938 -9.100 -1.474 1.00 10.00 N ATOM 0 H GLN A 39 -6.476 -8.024 3.831 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.411 -9.833 2.624 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.776 -7.123 2.161 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.706 -7.564 0.846 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -10.362 -8.915 1.449 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -10.124 -7.661 0.248 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -8.953 -8.099 -1.669 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -8.675 -9.759 -2.207 1.00 10.00 H new ATOM 567 N TRP A 40 -5.477 -9.777 2.626 1.00 10.00 N ATOM 568 CA TRP A 40 -4.216 -10.376 2.187 1.00 10.00 C ATOM 569 C TRP A 40 -3.503 -9.517 1.136 1.00 10.00 C ATOM 570 O TRP A 40 -3.863 -9.506 -0.040 1.00 10.00 O ATOM 571 CB TRP A 40 -4.474 -11.791 1.656 1.00 10.00 C ATOM 572 CG TRP A 40 -3.242 -12.548 1.254 1.00 10.00 C ATOM 573 CD1 TRP A 40 -2.243 -12.993 2.072 1.00 10.00 C ATOM 574 CD2 TRP A 40 -2.900 -12.976 -0.067 1.00 10.00 C ATOM 575 NE1 TRP A 40 -1.300 -13.667 1.337 1.00 10.00 N ATOM 576 CE2 TRP A 40 -1.680 -13.669 0.022 1.00 10.00 C ATOM 577 CE3 TRP A 40 -3.508 -12.837 -1.319 1.00 10.00 C ATOM 578 CZ2 TRP A 40 -1.057 -14.225 -1.094 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -2.889 -13.388 -2.423 1.00 10.00 C ATOM 580 CH2 TRP A 40 -1.676 -14.077 -2.305 1.00 10.00 C ATOM 0 H TRP A 40 -5.517 -9.592 3.628 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.551 -10.431 3.049 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -4.999 -12.361 2.422 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -5.140 -11.725 0.795 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -2.201 -12.837 3.140 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -0.453 -14.097 1.710 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -4.444 -12.308 -1.420 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 -0.119 -14.754 -1.006 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -3.349 -13.286 -3.395 1.00 10.00 H new ATOM 0 HH2 TRP A 40 -1.220 -14.500 -3.188 1.00 10.00 H new ATOM 591 N ALA A 41 -2.474 -8.811 1.583 1.00 10.00 N ATOM 592 CA ALA A 41 -1.702 -7.908 0.726 1.00 10.00 C ATOM 593 C ALA A 41 -0.484 -7.340 1.459 1.00 10.00 C ATOM 594 O ALA A 41 0.596 -7.288 0.876 1.00 10.00 O ATOM 595 CB ALA A 41 -2.550 -6.759 0.178 1.00 10.00 C ATOM 0 H ALA A 41 -2.147 -8.845 2.549 1.00 10.00 H new ATOM 0 HA ALA A 41 -1.361 -8.511 -0.115 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -1.932 -6.118 -0.451 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -3.372 -7.163 -0.413 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -2.951 -6.176 1.007 1.00 10.00 H new ATOM 601 N PRO A 42 -0.645 -6.879 2.735 1.00 10.00 N ATOM 602 CA PRO A 42 0.445 -6.317 3.550 1.00 10.00 C ATOM 603 C PRO A 42 1.796 -7.032 3.380 1.00 10.00 C ATOM 604 O PRO A 42 1.990 -8.136 3.896 1.00 10.00 O ATOM 605 CB PRO A 42 -0.080 -6.459 5.003 1.00 10.00 C ATOM 606 CG PRO A 42 -1.422 -7.101 4.894 1.00 10.00 C ATOM 607 CD PRO A 42 -1.898 -6.824 3.500 1.00 10.00 C ATOM 0 HA PRO A 42 0.664 -5.292 3.252 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.596 -7.067 5.604 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.151 -5.486 5.489 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -1.358 -8.173 5.079 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.112 -6.691 5.631 1.00 10.00 H new ATOM 0 HD2 PRO A 42 -2.618 -7.568 3.159 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -2.383 -5.851 3.420 1.00 10.00 H new ATOM 615 N CYS A 43 2.659 -6.391 2.564 1.00 10.00 N ATOM 616 CA CYS A 43 4.101 -6.699 2.396 1.00 10.00 C ATOM 617 C CYS A 43 4.467 -6.844 0.923 1.00 10.00 C ATOM 618 O CYS A 43 4.230 -7.873 0.294 1.00 10.00 O ATOM 619 CB CYS A 43 4.577 -7.927 3.182 1.00 10.00 C ATOM 620 SG CYS A 43 5.142 -7.532 4.870 1.00 10.00 S ATOM 0 H CYS A 43 2.361 -5.611 1.978 1.00 10.00 H new ATOM 0 HA CYS A 43 4.625 -5.842 2.820 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.764 -8.650 3.239 1.00 10.00 H new ATOM 0 HB3 CYS A 43 5.391 -8.405 2.637 1.00 10.00 H new ATOM 625 N ARG A 44 5.046 -5.783 0.386 1.00 10.00 N ATOM 626 CA ARG A 44 5.442 -5.711 -1.004 1.00 10.00 C ATOM 627 C ARG A 44 6.600 -4.728 -1.121 1.00 10.00 C ATOM 628 O ARG A 44 6.525 -3.628 -0.580 1.00 10.00 O ATOM 629 CB ARG A 44 4.253 -5.230 -1.852 1.00 10.00 C ATOM 630 CG ARG A 44 3.907 -6.115 -3.042 1.00 10.00 C ATOM 631 CD ARG A 44 4.987 -6.100 -4.117 1.00 10.00 C ATOM 632 NE ARG A 44 5.916 -7.222 -3.985 1.00 10.00 N ATOM 633 CZ ARG A 44 7.053 -7.331 -4.675 1.00 10.00 C ATOM 634 NH1 ARG A 44 7.470 -6.332 -5.439 1.00 10.00 N ATOM 635 NH2 ARG A 44 7.781 -8.433 -4.584 1.00 10.00 N ATOM 0 H ARG A 44 5.256 -4.936 0.915 1.00 10.00 H new ATOM 0 HA ARG A 44 5.752 -6.692 -1.363 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.376 -5.153 -1.209 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.470 -4.226 -2.217 1.00 10.00 H new ATOM 0 HG2 ARG A 44 3.757 -7.138 -2.698 1.00 10.00 H new ATOM 0 HG3 ARG A 44 2.964 -5.783 -3.475 1.00 10.00 H new ATOM 0 HD2 ARG A 44 4.518 -6.133 -5.101 1.00 10.00 H new ATOM 0 HD3 ARG A 44 5.541 -5.163 -4.059 1.00 10.00 H new ATOM 0 HE ARG A 44 5.681 -7.965 -3.327 1.00 10.00 H new ATOM 0 HH11 ARG A 44 6.921 -5.475 -5.502 1.00 10.00 H new ATOM 0 HH12 ARG A 44 8.340 -6.420 -5.964 1.00 10.00 H new ATOM 0 HH21 ARG A 44 7.473 -9.200 -3.986 1.00 10.00 H new ATOM 0 HH22 ARG A 44 8.650 -8.515 -5.112 1.00 10.00 H new ATOM 649 N VAL A 45 7.672 -5.112 -1.796 1.00 10.00 N ATOM 650 CA VAL A 45 8.800 -4.206 -1.959 1.00 10.00 C ATOM 651 C VAL A 45 8.578 -3.277 -3.144 1.00 10.00 C ATOM 652 O VAL A 45 8.079 -3.683 -4.196 1.00 10.00 O ATOM 653 CB VAL A 45 10.156 -4.954 -2.085 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.987 -6.241 -2.863 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.227 -4.075 -2.731 1.00 10.00 C ATOM 0 H VAL A 45 7.786 -6.027 -2.233 1.00 10.00 H new ATOM 0 HA VAL A 45 8.858 -3.607 -1.050 1.00 10.00 H new ATOM 0 HB VAL A 45 10.491 -5.197 -1.076 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.948 -6.749 -2.939 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.275 -6.887 -2.348 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.615 -6.016 -3.863 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.161 -4.632 -2.802 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.903 -3.781 -3.729 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.382 -3.184 -2.123 1.00 10.00 H new ATOM 665 N ILE A 46 8.937 -2.027 -2.932 1.00 10.00 N ATOM 666 CA ILE A 46 8.760 -0.981 -3.891 1.00 10.00 C ATOM 667 C ILE A 46 10.054 -0.737 -4.620 1.00 10.00 C ATOM 668 O ILE A 46 11.134 -0.921 -4.064 1.00 10.00 O ATOM 669 CB ILE A 46 8.347 0.331 -3.184 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.193 1.002 -3.904 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.526 1.281 -3.039 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.843 0.489 -3.440 1.00 10.00 C ATOM 0 H ILE A 46 9.370 -1.713 -2.063 1.00 10.00 H new ATOM 0 HA ILE A 46 7.981 -1.284 -4.591 1.00 10.00 H new ATOM 0 HB ILE A 46 8.010 0.069 -2.181 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.244 2.079 -3.742 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.292 0.836 -4.977 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.199 2.192 -2.538 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.308 0.803 -2.449 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.917 1.529 -4.026 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.051 1.002 -3.987 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.777 -0.583 -3.627 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.729 0.679 -2.373 1.00 10.00 H new ATOM 684 N GLU A 47 9.940 -0.336 -5.852 1.00 10.00 N ATOM 685 CA GLU A 47 11.071 0.167 -6.582 1.00 10.00 C ATOM 686 C GLU A 47 11.175 1.659 -6.308 1.00 10.00 C ATOM 687 O GLU A 47 10.149 2.309 -6.113 1.00 10.00 O ATOM 688 CB GLU A 47 10.890 -0.148 -8.059 1.00 10.00 C ATOM 689 CG GLU A 47 10.457 -1.586 -8.272 1.00 10.00 C ATOM 690 CD GLU A 47 10.539 -2.024 -9.719 1.00 10.00 C ATOM 691 OE1 GLU A 47 9.675 -1.596 -10.514 1.00 10.00 O ATOM 692 OE2 GLU A 47 11.466 -2.784 -10.067 1.00 10.00 O ATOM 0 H GLU A 47 9.067 -0.347 -6.379 1.00 10.00 H new ATOM 0 HA GLU A 47 12.002 -0.304 -6.268 1.00 10.00 H new ATOM 0 HB2 GLU A 47 10.146 0.524 -8.487 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.826 0.034 -8.588 1.00 10.00 H new ATOM 0 HG2 GLU A 47 11.082 -2.241 -7.665 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.432 -1.706 -7.920 1.00 10.00 H new ATOM 699 N PRO A 48 12.398 2.193 -6.186 1.00 10.00 N ATOM 700 CA PRO A 48 12.629 3.629 -6.019 1.00 10.00 C ATOM 701 C PRO A 48 11.800 4.480 -6.983 1.00 10.00 C ATOM 702 O PRO A 48 12.202 4.714 -8.121 1.00 10.00 O ATOM 703 CB PRO A 48 14.117 3.809 -6.329 1.00 10.00 C ATOM 704 CG PRO A 48 14.734 2.446 -6.330 1.00 10.00 C ATOM 705 CD PRO A 48 13.639 1.424 -6.138 1.00 10.00 C ATOM 0 HA PRO A 48 12.341 3.953 -5.019 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.253 4.294 -7.296 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.592 4.446 -5.583 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.258 2.268 -7.269 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.473 2.364 -5.533 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.665 0.665 -6.920 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.746 0.904 -5.186 1.00 10.00 H new ATOM 713 N GLY A 49 10.633 4.919 -6.531 1.00 10.00 N ATOM 714 CA GLY A 49 9.788 5.738 -7.378 1.00 10.00 C ATOM 715 C GLY A 49 8.701 4.937 -8.060 1.00 10.00 C ATOM 716 O GLY A 49 8.080 5.404 -9.016 1.00 10.00 O ATOM 0 H GLY A 49 10.259 4.725 -5.602 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.332 6.526 -6.778 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.402 6.228 -8.134 1.00 10.00 H new ATOM 720 N GLY A 50 8.471 3.725 -7.575 1.00 10.00 N ATOM 721 CA GLY A 50 7.458 2.870 -8.152 1.00 10.00 C ATOM 722 C GLY A 50 6.184 2.841 -7.337 1.00 10.00 C ATOM 723 O GLY A 50 6.057 3.560 -6.342 1.00 10.00 O ATOM 0 H GLY A 50 8.973 3.318 -6.786 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.231 3.213 -9.161 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.851 1.857 -8.241 1.00 10.00 H new ATOM 727 N TRP A 51 5.252 1.991 -7.749 1.00 10.00 N ATOM 728 CA TRP A 51 3.953 1.887 -7.095 1.00 10.00 C ATOM 729 C TRP A 51 3.735 0.510 -6.500 1.00 10.00 C ATOM 730 O TRP A 51 4.462 -0.439 -6.787 1.00 10.00 O ATOM 731 CB TRP A 51 2.815 2.177 -8.080 1.00 10.00 C ATOM 732 CG TRP A 51 2.478 3.623 -8.245 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.210 4.700 -7.852 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.291 4.143 -8.852 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.559 5.858 -8.203 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.377 5.540 -8.809 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.164 3.556 -9.429 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.383 6.363 -9.327 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.824 4.371 -9.944 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.712 5.763 -9.888 1.00 10.00 C ATOM 0 H TRP A 51 5.373 1.358 -8.540 1.00 10.00 H new ATOM 0 HA TRP A 51 3.948 2.628 -6.296 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.084 1.768 -9.054 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.923 1.647 -7.748 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.160 4.652 -7.341 1.00 10.00 H new ATOM 0 HE1 TRP A 51 2.903 6.804 -8.037 1.00 10.00 H new ATOM 0 HE3 TRP A 51 0.066 2.481 -9.472 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.472 7.439 -9.288 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.697 3.926 -10.397 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.503 6.376 -10.294 1.00 10.00 H new ATOM 751 N ALA A 52 2.711 0.426 -5.673 1.00 10.00 N ATOM 752 CA ALA A 52 2.237 -0.829 -5.141 1.00 10.00 C ATOM 753 C ALA A 52 0.728 -0.746 -5.020 1.00 10.00 C ATOM 754 O ALA A 52 0.199 0.066 -4.270 1.00 10.00 O ATOM 755 CB ALA A 52 2.891 -1.146 -3.796 1.00 10.00 C ATOM 0 H ALA A 52 2.182 1.237 -5.351 1.00 10.00 H new ATOM 0 HA ALA A 52 2.509 -1.644 -5.812 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.512 -2.098 -3.423 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.972 -1.210 -3.923 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.656 -0.357 -3.082 1.00 10.00 H new ATOM 761 N THR A 53 0.045 -1.548 -5.810 1.00 10.00 N ATOM 762 CA THR A 53 -1.401 -1.508 -5.875 1.00 10.00 C ATOM 763 C THR A 53 -2.015 -2.308 -4.752 1.00 10.00 C ATOM 764 O THR A 53 -1.643 -3.461 -4.513 1.00 10.00 O ATOM 765 CB THR A 53 -1.878 -2.068 -7.220 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.279 -1.329 -8.289 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.395 -2.019 -7.331 1.00 10.00 C ATOM 0 H THR A 53 0.474 -2.242 -6.422 1.00 10.00 H new ATOM 0 HA THR A 53 -1.717 -0.470 -5.775 1.00 10.00 H new ATOM 0 HB THR A 53 -1.573 -3.112 -7.286 1.00 10.00 H new ATOM 0 HG1 THR A 53 -1.975 -0.849 -8.785 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.702 -2.423 -8.296 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.838 -2.613 -6.531 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.733 -0.986 -7.246 1.00 10.00 H new ATOM 775 N PHE A 54 -2.975 -1.700 -4.082 1.00 10.00 N ATOM 776 CA PHE A 54 -3.595 -2.324 -2.939 1.00 10.00 C ATOM 777 C PHE A 54 -5.078 -2.038 -2.987 1.00 10.00 C ATOM 778 O PHE A 54 -5.481 -0.971 -3.455 1.00 10.00 O ATOM 779 CB PHE A 54 -2.954 -1.834 -1.620 1.00 10.00 C ATOM 780 CG PHE A 54 -1.505 -2.221 -1.471 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.123 -3.557 -1.499 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.520 -1.254 -1.307 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.198 -3.920 -1.369 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.805 -1.620 -1.179 1.00 10.00 C ATOM 785 CZ PHE A 54 1.165 -2.951 -1.211 1.00 10.00 C ATOM 0 H PHE A 54 -3.339 -0.776 -4.312 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.438 -3.402 -2.972 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -3.038 -0.749 -1.566 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.518 -2.239 -0.780 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.875 -4.322 -1.625 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.793 -0.209 -1.280 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.477 -4.963 -1.391 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.563 -0.861 -1.053 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.203 -3.233 -1.112 1.00 10.00 H new ATOM 795 N ALA A 55 -5.874 -3.010 -2.553 1.00 10.00 N ATOM 796 CA ALA A 55 -7.326 -2.922 -2.651 1.00 10.00 C ATOM 797 C ALA A 55 -7.844 -1.662 -1.985 1.00 10.00 C ATOM 798 O ALA A 55 -7.913 -1.573 -0.760 1.00 10.00 O ATOM 799 CB ALA A 55 -7.981 -4.161 -2.047 1.00 10.00 C ATOM 0 H ALA A 55 -5.535 -3.873 -2.128 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.590 -2.874 -3.708 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -9.065 -4.077 -2.130 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.644 -5.048 -2.583 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.703 -4.244 -0.996 1.00 10.00 H new ATOM 805 N GLY A 56 -8.169 -0.671 -2.806 1.00 10.00 N ATOM 806 CA GLY A 56 -8.704 0.557 -2.283 1.00 10.00 C ATOM 807 C GLY A 56 -10.129 0.360 -1.789 1.00 10.00 C ATOM 808 O GLY A 56 -10.701 -0.714 -1.988 1.00 10.00 O ATOM 0 H GLY A 56 -8.070 -0.702 -3.821 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.077 0.913 -1.465 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.686 1.325 -3.056 1.00 10.00 H new ATOM 812 N TYR A 57 -10.738 1.381 -1.191 1.00 10.00 N ATOM 813 CA TYR A 57 -12.087 1.230 -0.651 1.00 10.00 C ATOM 814 C TYR A 57 -13.123 1.448 -1.758 1.00 10.00 C ATOM 815 O TYR A 57 -14.040 2.260 -1.649 1.00 10.00 O ATOM 816 CB TYR A 57 -12.299 2.175 0.549 1.00 10.00 C ATOM 817 CG TYR A 57 -12.367 3.664 0.221 1.00 10.00 C ATOM 818 CD1 TYR A 57 -11.290 4.326 -0.359 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.507 4.412 0.516 1.00 10.00 C ATOM 820 CE1 TYR A 57 -11.346 5.681 -0.636 1.00 10.00 C ATOM 821 CE2 TYR A 57 -13.567 5.764 0.237 1.00 10.00 C ATOM 822 CZ TYR A 57 -12.487 6.393 -0.336 1.00 10.00 C ATOM 823 OH TYR A 57 -12.547 7.745 -0.605 1.00 10.00 O ATOM 0 H TYR A 57 -10.328 2.307 -1.069 1.00 10.00 H new ATOM 0 HA TYR A 57 -12.217 0.214 -0.279 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -13.224 1.891 1.052 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.488 2.016 1.260 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -10.394 3.773 -0.598 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.358 3.926 0.970 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.499 6.178 -1.085 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -14.460 6.325 0.468 1.00 10.00 H new ATOM 0 HH TYR A 57 -13.422 8.094 -0.334 1.00 10.00 H new ATOM 833 N GLY A 58 -12.978 0.668 -2.820 1.00 10.00 N ATOM 834 CA GLY A 58 -13.765 0.885 -4.023 1.00 10.00 C ATOM 835 C GLY A 58 -15.089 0.151 -4.015 1.00 10.00 C ATOM 836 O GLY A 58 -15.802 0.128 -5.020 1.00 10.00 O ATOM 0 H GLY A 58 -12.327 -0.115 -2.872 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -13.951 1.953 -4.139 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -13.186 0.566 -4.890 1.00 10.00 H new ATOM 840 N THR A 59 -15.395 -0.487 -2.899 1.00 10.00 N ATOM 841 CA THR A 59 -16.688 -1.133 -2.697 1.00 10.00 C ATOM 842 C THR A 59 -16.989 -1.159 -1.199 1.00 10.00 C ATOM 843 O THR A 59 -17.550 -2.123 -0.673 1.00 10.00 O ATOM 844 CB THR A 59 -16.691 -2.573 -3.274 1.00 10.00 C ATOM 845 OG1 THR A 59 -16.057 -2.570 -4.557 1.00 10.00 O ATOM 846 CG2 THR A 59 -18.108 -3.113 -3.428 1.00 10.00 C ATOM 0 H THR A 59 -14.759 -0.574 -2.107 1.00 10.00 H new ATOM 0 HA THR A 59 -17.458 -0.570 -3.224 1.00 10.00 H new ATOM 0 HB THR A 59 -16.151 -3.214 -2.577 1.00 10.00 H new ATOM 0 HG1 THR A 59 -16.056 -3.479 -4.924 1.00 10.00 H new ATOM 0 HG21 THR A 59 -18.070 -4.124 -3.835 1.00 10.00 H new ATOM 0 HG22 THR A 59 -18.598 -3.132 -2.455 1.00 10.00 H new ATOM 0 HG23 THR A 59 -18.671 -2.470 -4.105 1.00 10.00 H new ATOM 854 N ASP A 60 -16.604 -0.068 -0.529 1.00 10.00 N ATOM 855 CA ASP A 60 -16.622 0.017 0.929 1.00 10.00 C ATOM 856 C ASP A 60 -15.599 -0.959 1.484 1.00 10.00 C ATOM 857 O ASP A 60 -14.436 -0.600 1.645 1.00 10.00 O ATOM 858 CB ASP A 60 -18.009 -0.273 1.529 1.00 10.00 C ATOM 859 CG ASP A 60 -19.083 0.683 1.054 1.00 10.00 C ATOM 860 OD1 ASP A 60 -19.234 1.767 1.656 1.00 10.00 O ATOM 861 OD2 ASP A 60 -19.802 0.343 0.090 1.00 10.00 O ATOM 0 H ASP A 60 -16.271 0.781 -0.986 1.00 10.00 H new ATOM 0 HA ASP A 60 -16.374 1.041 1.209 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -18.301 -1.292 1.274 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -17.944 -0.223 2.616 1.00 10.00 H new ATOM 866 N GLY A 61 -16.054 -2.198 1.716 1.00 10.00 N ATOM 867 CA GLY A 61 -15.182 -3.307 2.123 1.00 10.00 C ATOM 868 C GLY A 61 -13.993 -2.893 2.964 1.00 10.00 C ATOM 869 O GLY A 61 -14.140 -2.478 4.113 1.00 10.00 O ATOM 0 H GLY A 61 -17.036 -2.459 1.627 1.00 10.00 H new ATOM 0 HA2 GLY A 61 -15.773 -4.031 2.684 1.00 10.00 H new ATOM 0 HA3 GLY A 61 -14.820 -3.815 1.229 1.00 10.00 H new ATOM 873 N ASN A 62 -12.809 -3.025 2.384 1.00 10.00 N ATOM 874 CA ASN A 62 -11.584 -2.671 3.057 1.00 10.00 C ATOM 875 C ASN A 62 -11.107 -1.303 2.621 1.00 10.00 C ATOM 876 O ASN A 62 -11.191 -0.938 1.449 1.00 10.00 O ATOM 877 CB ASN A 62 -10.485 -3.688 2.756 1.00 10.00 C ATOM 878 CG ASN A 62 -10.734 -5.055 3.372 1.00 10.00 C ATOM 879 OD1 ASN A 62 -9.796 -5.728 3.782 1.00 10.00 O ATOM 880 ND2 ASN A 62 -11.990 -5.475 3.450 1.00 10.00 N ATOM 0 H ASN A 62 -12.679 -3.380 1.437 1.00 10.00 H new ATOM 0 HA ASN A 62 -11.792 -2.663 4.127 1.00 10.00 H new ATOM 0 HB2 ASN A 62 -10.389 -3.798 1.676 1.00 10.00 H new ATOM 0 HB3 ASN A 62 -9.534 -3.302 3.123 1.00 10.00 H new ATOM 0 HD21 ASN A 62 -12.199 -6.385 3.862 1.00 10.00 H new ATOM 0 HD22 ASN A 62 -12.747 -4.888 3.098 1.00 10.00 H new ATOM 887 N TYR A 63 -10.605 -0.561 3.578 1.00 10.00 N ATOM 888 CA TYR A 63 -9.957 0.698 3.304 1.00 10.00 C ATOM 889 C TYR A 63 -8.557 0.672 3.892 1.00 10.00 C ATOM 890 O TYR A 63 -8.399 0.558 5.104 1.00 10.00 O ATOM 891 CB TYR A 63 -10.771 1.872 3.873 1.00 10.00 C ATOM 892 CG TYR A 63 -10.023 3.190 3.914 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.725 3.874 2.739 1.00 10.00 C ATOM 894 CD2 TYR A 63 -9.606 3.745 5.117 1.00 10.00 C ATOM 895 CE1 TYR A 63 -9.036 5.071 2.763 1.00 10.00 C ATOM 896 CE2 TYR A 63 -8.916 4.945 5.150 1.00 10.00 C ATOM 897 CZ TYR A 63 -8.661 5.618 4.009 1.00 10.00 C ATOM 898 OH TYR A 63 -7.949 6.799 3.992 1.00 10.00 O ATOM 0 H TYR A 63 -10.634 -0.812 4.566 1.00 10.00 H new ATOM 0 HA TYR A 63 -9.892 0.842 2.226 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.672 1.998 3.273 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -11.093 1.619 4.883 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -10.038 3.461 1.791 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -9.824 3.232 6.042 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.788 5.580 1.843 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -8.580 5.345 6.095 1.00 10.00 H new ATOM 0 HH TYR A 63 -7.751 7.075 4.911 1.00 10.00 H new ATOM 908 N VAL A 64 -7.541 0.712 3.034 1.00 10.00 N ATOM 909 CA VAL A 64 -6.180 0.814 3.516 1.00 10.00 C ATOM 910 C VAL A 64 -6.052 2.103 4.315 1.00 10.00 C ATOM 911 O VAL A 64 -6.411 3.184 3.837 1.00 10.00 O ATOM 912 CB VAL A 64 -5.109 0.747 2.375 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.749 0.567 1.000 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.226 1.980 2.379 1.00 10.00 C ATOM 0 H VAL A 64 -7.638 0.676 2.019 1.00 10.00 H new ATOM 0 HA VAL A 64 -5.977 -0.050 4.148 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.491 -0.128 2.576 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.970 0.526 0.239 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.322 -0.360 0.984 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.413 1.407 0.795 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.493 1.905 1.576 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -4.840 2.868 2.228 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.710 2.055 3.336 1.00 10.00 H new ATOM 924 N THR A 65 -5.586 1.982 5.541 1.00 10.00 N ATOM 925 CA THR A 65 -5.515 3.134 6.417 1.00 10.00 C ATOM 926 C THR A 65 -4.215 3.140 7.201 1.00 10.00 C ATOM 927 O THR A 65 -4.009 3.982 8.071 1.00 10.00 O ATOM 928 CB THR A 65 -6.738 3.226 7.378 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.703 4.458 8.112 1.00 10.00 O ATOM 930 CG2 THR A 65 -6.809 2.063 8.368 1.00 10.00 C ATOM 0 H THR A 65 -5.254 1.109 5.950 1.00 10.00 H new ATOM 0 HA THR A 65 -5.542 4.017 5.779 1.00 10.00 H new ATOM 0 HB THR A 65 -7.626 3.180 6.747 1.00 10.00 H new ATOM 0 HG1 THR A 65 -5.772 4.740 8.233 1.00 10.00 H new ATOM 0 HG21 THR A 65 -7.682 2.184 9.010 1.00 10.00 H new ATOM 0 HG22 THR A 65 -6.888 1.124 7.821 1.00 10.00 H new ATOM 0 HG23 THR A 65 -5.907 2.051 8.980 1.00 10.00 H new ATOM 938 N GLY A 66 -3.325 2.215 6.880 1.00 10.00 N ATOM 939 CA GLY A 66 -2.050 2.206 7.545 1.00 10.00 C ATOM 940 C GLY A 66 -0.965 1.529 6.749 1.00 10.00 C ATOM 941 O GLY A 66 -0.945 0.311 6.620 1.00 10.00 O ATOM 0 H GLY A 66 -3.463 1.484 6.182 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.750 3.233 7.754 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.153 1.702 8.506 1.00 10.00 H new ATOM 945 N LEU A 67 -0.058 2.323 6.213 1.00 10.00 N ATOM 946 CA LEU A 67 1.122 1.784 5.566 1.00 10.00 C ATOM 947 C LEU A 67 2.155 1.464 6.628 1.00 10.00 C ATOM 948 O LEU A 67 2.472 2.288 7.485 1.00 10.00 O ATOM 949 CB LEU A 67 1.699 2.747 4.517 1.00 10.00 C ATOM 950 CG LEU A 67 1.296 2.474 3.066 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.571 3.687 2.210 1.00 10.00 C ATOM 952 CD2 LEU A 67 2.066 1.296 2.493 1.00 10.00 C ATOM 0 H LEU A 67 -0.116 3.341 6.213 1.00 10.00 H new ATOM 0 HA LEU A 67 0.842 0.877 5.031 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.392 3.761 4.775 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.787 2.717 4.584 1.00 10.00 H new ATOM 0 HG LEU A 67 0.231 2.243 3.061 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.280 3.479 1.180 1.00 10.00 H new ATOM 0 HD12 LEU A 67 0.998 4.535 2.585 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.634 3.924 2.246 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.758 1.127 1.461 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.134 1.511 2.522 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.859 0.404 3.084 1.00 10.00 H new ATOM 964 N HIS A 68 2.649 0.255 6.579 1.00 10.00 N ATOM 965 CA HIS A 68 3.592 -0.247 7.557 1.00 10.00 C ATOM 966 C HIS A 68 4.854 -0.687 6.835 1.00 10.00 C ATOM 967 O HIS A 68 4.774 -1.169 5.719 1.00 10.00 O ATOM 968 CB HIS A 68 2.959 -1.433 8.289 1.00 10.00 C ATOM 969 CG HIS A 68 2.020 -1.051 9.395 1.00 10.00 C ATOM 970 ND1 HIS A 68 2.123 -1.549 10.676 1.00 10.00 N ATOM 971 CD2 HIS A 68 0.944 -0.230 9.402 1.00 10.00 C ATOM 972 CE1 HIS A 68 1.154 -1.049 11.423 1.00 10.00 C ATOM 973 NE2 HIS A 68 0.424 -0.246 10.672 1.00 10.00 N ATOM 0 H HIS A 68 2.409 -0.420 5.853 1.00 10.00 H new ATOM 0 HA HIS A 68 3.844 0.527 8.282 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.419 -2.044 7.566 1.00 10.00 H new ATOM 0 HB3 HIS A 68 3.753 -2.055 8.702 1.00 10.00 H new ATOM 0 HD2 HIS A 68 0.564 0.334 8.563 1.00 10.00 H new ATOM 0 HE1 HIS A 68 0.988 -1.261 12.469 1.00 10.00 H new ATOM 0 HE2 HIS A 68 -0.394 0.278 10.985 1.00 10.00 H new ATOM 982 N THR A 69 6.023 -0.489 7.407 1.00 10.00 N ATOM 983 CA THR A 69 7.228 -0.922 6.724 1.00 10.00 C ATOM 984 C THR A 69 7.408 -2.425 6.866 1.00 10.00 C ATOM 985 O THR A 69 7.308 -2.977 7.964 1.00 10.00 O ATOM 986 CB THR A 69 8.481 -0.194 7.228 1.00 10.00 C ATOM 987 OG1 THR A 69 8.105 0.860 8.130 1.00 10.00 O ATOM 988 CG2 THR A 69 9.266 0.389 6.054 1.00 10.00 C ATOM 0 H THR A 69 6.166 -0.046 8.314 1.00 10.00 H new ATOM 0 HA THR A 69 7.104 -0.668 5.671 1.00 10.00 H new ATOM 0 HB THR A 69 9.113 -0.911 7.753 1.00 10.00 H new ATOM 0 HG1 THR A 69 8.909 1.320 8.449 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.152 0.902 6.428 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.568 -0.415 5.383 1.00 10.00 H new ATOM 0 HG23 THR A 69 8.638 1.097 5.512 1.00 10.00 H new ATOM 996 N CYS A 70 7.635 -3.091 5.751 1.00 10.00 N ATOM 997 CA CYS A 70 7.794 -4.526 5.756 1.00 10.00 C ATOM 998 C CYS A 70 9.280 -4.899 5.704 1.00 10.00 C ATOM 999 O CYS A 70 10.108 -4.095 5.268 1.00 10.00 O ATOM 1000 CB CYS A 70 7.047 -5.166 4.583 1.00 10.00 C ATOM 1001 SG CYS A 70 7.079 -6.990 4.591 1.00 10.00 S ATOM 0 H CYS A 70 7.713 -2.658 4.831 1.00 10.00 H new ATOM 0 HA CYS A 70 7.366 -4.909 6.682 1.00 10.00 H new ATOM 0 HB2 CYS A 70 6.010 -4.831 4.599 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.483 -4.809 3.650 1.00 10.00 H new ATOM 1006 N ASP A 71 9.619 -6.101 6.147 1.00 10.00 N ATOM 1007 CA ASP A 71 10.964 -6.630 5.970 1.00 10.00 C ATOM 1008 C ASP A 71 10.921 -7.710 4.900 1.00 10.00 C ATOM 1009 O ASP A 71 9.914 -8.398 4.798 1.00 10.00 O ATOM 1010 CB ASP A 71 11.537 -7.196 7.278 1.00 10.00 C ATOM 1011 CG ASP A 71 10.630 -8.200 7.962 1.00 10.00 C ATOM 1012 OD1 ASP A 71 10.706 -9.403 7.621 1.00 10.00 O ATOM 1013 OD2 ASP A 71 9.814 -7.794 8.814 1.00 10.00 O ATOM 0 H ASP A 71 8.980 -6.730 6.633 1.00 10.00 H new ATOM 0 HA ASP A 71 11.622 -5.817 5.664 1.00 10.00 H new ATOM 0 HB2 ASP A 71 12.495 -7.671 7.068 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.733 -6.372 7.964 1.00 10.00 H new ATOM 1018 N PRO A 72 11.997 -7.830 4.082 1.00 10.00 N ATOM 1019 CA PRO A 72 12.166 -8.793 2.988 1.00 10.00 C ATOM 1020 C PRO A 72 11.250 -10.006 3.049 1.00 10.00 C ATOM 1021 O PRO A 72 11.644 -11.092 3.484 1.00 10.00 O ATOM 1022 CB PRO A 72 13.634 -9.196 3.159 1.00 10.00 C ATOM 1023 CG PRO A 72 14.266 -8.075 3.945 1.00 10.00 C ATOM 1024 CD PRO A 72 13.196 -7.023 4.141 1.00 10.00 C ATOM 0 HA PRO A 72 11.907 -8.358 2.023 1.00 10.00 H new ATOM 0 HB2 PRO A 72 13.722 -10.145 3.688 1.00 10.00 H new ATOM 0 HB3 PRO A 72 14.122 -9.323 2.193 1.00 10.00 H new ATOM 0 HG2 PRO A 72 14.634 -8.436 4.905 1.00 10.00 H new ATOM 0 HG3 PRO A 72 15.121 -7.662 3.410 1.00 10.00 H new ATOM 0 HD2 PRO A 72 13.297 -6.505 5.095 1.00 10.00 H new ATOM 0 HD3 PRO A 72 13.219 -6.262 3.361 1.00 10.00 H new ATOM 1032 N ALA A 73 10.032 -9.802 2.589 1.00 10.00 N ATOM 1033 CA ALA A 73 8.996 -10.802 2.650 1.00 10.00 C ATOM 1034 C ALA A 73 7.790 -10.305 1.866 1.00 10.00 C ATOM 1035 O ALA A 73 7.258 -9.232 2.143 1.00 10.00 O ATOM 1036 CB ALA A 73 8.623 -11.088 4.099 1.00 10.00 C ATOM 0 H ALA A 73 9.735 -8.926 2.158 1.00 10.00 H new ATOM 0 HA ALA A 73 9.352 -11.733 2.210 1.00 10.00 H new ATOM 0 HB1 ALA A 73 7.839 -11.845 4.130 1.00 10.00 H new ATOM 0 HB2 ALA A 73 9.500 -11.451 4.636 1.00 10.00 H new ATOM 0 HB3 ALA A 73 8.263 -10.173 4.569 1.00 10.00 H new ATOM 1042 N THR A 74 7.390 -11.049 0.864 1.00 10.00 N ATOM 1043 CA THR A 74 6.231 -10.686 0.078 1.00 10.00 C ATOM 1044 C THR A 74 5.453 -11.953 -0.282 1.00 10.00 C ATOM 1045 O THR A 74 6.053 -12.991 -0.565 1.00 10.00 O ATOM 1046 CB THR A 74 6.652 -9.893 -1.190 1.00 10.00 C ATOM 1047 OG1 THR A 74 5.517 -9.265 -1.808 1.00 10.00 O ATOM 1048 CG2 THR A 74 7.352 -10.787 -2.206 1.00 10.00 C ATOM 0 H THR A 74 7.849 -11.911 0.571 1.00 10.00 H new ATOM 0 HA THR A 74 5.583 -10.032 0.662 1.00 10.00 H new ATOM 0 HB THR A 74 7.352 -9.124 -0.863 1.00 10.00 H new ATOM 0 HG1 THR A 74 5.108 -8.636 -1.178 1.00 10.00 H new ATOM 0 HG21 THR A 74 7.631 -10.197 -3.079 1.00 10.00 H new ATOM 0 HG22 THR A 74 8.247 -11.216 -1.757 1.00 10.00 H new ATOM 0 HG23 THR A 74 6.679 -11.588 -2.510 1.00 10.00 H new ATOM 1056 N PRO A 75 4.112 -11.892 -0.214 1.00 10.00 N ATOM 1057 CA PRO A 75 3.242 -13.052 -0.443 1.00 10.00 C ATOM 1058 C PRO A 75 3.440 -13.696 -1.813 1.00 10.00 C ATOM 1059 O PRO A 75 2.964 -13.187 -2.830 1.00 10.00 O ATOM 1060 CB PRO A 75 1.821 -12.483 -0.327 1.00 10.00 C ATOM 1061 CG PRO A 75 1.976 -11.008 -0.443 1.00 10.00 C ATOM 1062 CD PRO A 75 3.336 -10.691 0.103 1.00 10.00 C ATOM 0 HA PRO A 75 3.460 -13.845 0.272 1.00 10.00 H new ATOM 0 HB2 PRO A 75 1.176 -12.873 -1.114 1.00 10.00 H new ATOM 0 HB3 PRO A 75 1.365 -12.757 0.624 1.00 10.00 H new ATOM 0 HG2 PRO A 75 1.888 -10.687 -1.481 1.00 10.00 H new ATOM 0 HG3 PRO A 75 1.199 -10.489 0.119 1.00 10.00 H new ATOM 0 HD2 PRO A 75 3.760 -9.802 -0.364 1.00 10.00 H new ATOM 0 HD3 PRO A 75 3.305 -10.503 1.176 1.00 10.00 H new ATOM 1070 N SER A 76 4.158 -14.808 -1.831 1.00 10.00 N ATOM 1071 CA SER A 76 4.351 -15.575 -3.048 1.00 10.00 C ATOM 1072 C SER A 76 3.141 -16.463 -3.292 1.00 10.00 C ATOM 1073 O SER A 76 3.122 -17.632 -2.911 1.00 10.00 O ATOM 1074 CB SER A 76 5.625 -16.414 -2.948 1.00 10.00 C ATOM 1075 OG SER A 76 6.746 -15.588 -2.672 1.00 10.00 O ATOM 0 H SER A 76 4.619 -15.200 -1.010 1.00 10.00 H new ATOM 0 HA SER A 76 4.459 -14.891 -3.890 1.00 10.00 H new ATOM 0 HB2 SER A 76 5.514 -17.161 -2.162 1.00 10.00 H new ATOM 0 HB3 SER A 76 5.785 -16.954 -3.881 1.00 10.00 H new ATOM 0 HG SER A 76 7.553 -16.141 -2.610 1.00 10.00 H new ATOM 1081 N GLY A 77 2.112 -15.877 -3.881 1.00 10.00 N ATOM 1082 CA GLY A 77 0.891 -16.603 -4.135 1.00 10.00 C ATOM 1083 C GLY A 77 0.571 -16.681 -5.609 1.00 10.00 C ATOM 1084 O GLY A 77 1.050 -17.574 -6.311 1.00 10.00 O ATOM 0 H GLY A 77 2.103 -14.905 -4.189 1.00 10.00 H new ATOM 0 HA2 GLY A 77 0.979 -17.611 -3.730 1.00 10.00 H new ATOM 0 HA3 GLY A 77 0.067 -16.119 -3.611 1.00 10.00 H new ATOM 1088 N VAL A 78 -0.224 -15.736 -6.083 1.00 10.00 N ATOM 1089 CA VAL A 78 -0.653 -15.725 -7.471 1.00 10.00 C ATOM 1090 C VAL A 78 0.338 -14.932 -8.317 1.00 10.00 C ATOM 1091 O VAL A 78 0.185 -13.695 -8.426 1.00 10.00 O ATOM 1092 CB VAL A 78 -2.063 -15.110 -7.620 1.00 10.00 C ATOM 1093 CG1 VAL A 78 -2.581 -15.279 -9.041 1.00 10.00 C ATOM 1094 CG2 VAL A 78 -3.034 -15.724 -6.617 1.00 10.00 C ATOM 1095 OXT VAL A 78 1.275 -15.545 -8.865 1.00 10.00 O ATOM 0 H VAL A 78 -0.586 -14.964 -5.524 1.00 10.00 H new ATOM 0 HA VAL A 78 -0.690 -16.758 -7.816 1.00 10.00 H new ATOM 0 HB VAL A 78 -1.987 -14.043 -7.410 1.00 10.00 H new ATOM 0 HG11 VAL A 78 -3.575 -14.838 -9.121 1.00 10.00 H new ATOM 0 HG12 VAL A 78 -1.906 -14.780 -9.736 1.00 10.00 H new ATOM 0 HG13 VAL A 78 -2.634 -16.340 -9.285 1.00 10.00 H new ATOM 0 HG21 VAL A 78 -4.019 -15.274 -6.742 1.00 10.00 H new ATOM 0 HG22 VAL A 78 -3.101 -16.799 -6.787 1.00 10.00 H new ATOM 0 HG23 VAL A 78 -2.677 -15.538 -5.604 1.00 10.00 H new TER 1105 VAL A 78