USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 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 Single : A 1 VAL N :NH3+ -121:sc= -1.63 (180deg=-2.37) USER MOD Single : A 2 SER OG : rot -120:sc= 1.12 USER MOD Single : A 4 SER OG : rot 180:sc= -1.2 USER MOD Single : A 5 TYR OH : rot 136:sc= 0.00867 USER MOD Single : A 9 TYR OH : rot 180:sc= -1.51 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -139:sc= -1.47 (180deg=-2.55!) USER MOD Single : A 17 SER OG : rot -37:sc= 0.136 USER MOD Single : A 21 SER OG : rot 79:sc= 0.546 USER MOD Single : A 22 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.13) USER MOD Single : A 25 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-4.3!) USER MOD Single : A 28 MET CE :methyl 160:sc= -3.48 (180deg=-4.91!) USER MOD Single : A 30 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.1) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.9) USER MOD Single : A 54 SER OG : rot 65:sc= -3.71! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -100:sc= 1.65 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.9!) USER MOD Single : A 69 ASN : amide:sc= 0.168 K(o=0.17,f=-2!) USER MOD Single : A 70 SER OG : rot -135:sc= -0.908 USER MOD Single : A 78 SER OG : rot 100:sc= 0.0896 USER MOD Single : A 84 ASN : amide:sc= -0.138 K(o=-0.14,f=-5.4!) USER MOD Single : A 86 ASN : amide:sc= -3.75 K(o=-3.8,f=-10!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 88:sc= -1.05 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.2!) USER MOD Single : A 106 ASN : amide:sc=-0.00213 X(o=-0.0021,f=-0.22) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 117 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.3!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.523 -3.299 13.626 1.00 0.00 N ATOM 2 CA VAL A 1 90.432 -3.567 12.161 1.00 0.00 C ATOM 3 C VAL A 1 91.716 -4.234 11.663 1.00 0.00 C ATOM 4 O VAL A 1 92.804 -3.922 12.116 1.00 0.00 O ATOM 5 CB VAL A 1 90.244 -2.197 11.497 1.00 0.00 C ATOM 6 CG1 VAL A 1 88.967 -1.542 12.035 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.452 -1.294 11.780 1.00 0.00 C ATOM 0 H1 VAL A 1 89.750 -3.791 14.118 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.436 -3.642 13.986 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.446 -2.276 13.797 1.00 0.00 H new ATOM 0 HA VAL A 1 89.609 -4.241 11.924 1.00 0.00 H new ATOM 0 HB VAL A 1 90.159 -2.334 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.832 -0.568 11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.110 -2.176 11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.050 -1.415 13.114 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.303 -0.326 11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.558 -1.155 12.856 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.355 -1.759 11.384 1.00 0.00 H new ATOM 17 N SER A 2 91.592 -5.157 10.749 1.00 0.00 N ATOM 18 CA SER A 2 92.796 -5.856 10.218 1.00 0.00 C ATOM 19 C SER A 2 93.004 -5.493 8.747 1.00 0.00 C ATOM 20 O SER A 2 92.063 -5.393 7.982 1.00 0.00 O ATOM 21 CB SER A 2 92.488 -7.342 10.359 1.00 0.00 C ATOM 22 OG SER A 2 91.874 -7.579 11.620 1.00 0.00 O ATOM 0 H SER A 2 90.705 -5.458 10.346 1.00 0.00 H new ATOM 0 HA SER A 2 93.705 -5.577 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.828 -7.666 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 2 93.405 -7.925 10.273 1.00 0.00 H new ATOM 0 HG SER A 2 92.422 -8.205 12.138 1.00 0.00 H new ATOM 28 N ILE A 3 94.235 -5.303 8.349 1.00 0.00 N ATOM 29 CA ILE A 3 94.524 -4.954 6.929 1.00 0.00 C ATOM 30 C ILE A 3 95.087 -6.168 6.196 1.00 0.00 C ATOM 31 O ILE A 3 95.808 -6.965 6.761 1.00 0.00 O ATOM 32 CB ILE A 3 95.567 -3.829 6.973 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.839 -4.302 7.689 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.991 -2.623 7.711 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.966 -3.304 7.424 1.00 0.00 C ATOM 0 H ILE A 3 95.056 -5.375 8.951 1.00 0.00 H new ATOM 0 HA ILE A 3 93.623 -4.641 6.401 1.00 0.00 H new ATOM 0 HB ILE A 3 95.820 -3.550 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.657 -4.387 8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.123 -5.293 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.734 -1.826 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.100 -2.270 7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.727 -2.911 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.872 -3.636 7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.152 -3.241 6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.679 -2.322 7.800 1.00 0.00 H new ATOM 47 N SER A 4 94.764 -6.306 4.940 1.00 0.00 N ATOM 48 CA SER A 4 95.274 -7.453 4.140 1.00 0.00 C ATOM 49 C SER A 4 95.496 -6.970 2.711 1.00 0.00 C ATOM 50 O SER A 4 95.401 -5.789 2.438 1.00 0.00 O ATOM 51 CB SER A 4 94.165 -8.502 4.182 1.00 0.00 C ATOM 52 OG SER A 4 94.384 -9.375 5.281 1.00 0.00 O ATOM 0 H SER A 4 94.160 -5.663 4.428 1.00 0.00 H new ATOM 0 HA SER A 4 96.212 -7.860 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.194 -8.017 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.149 -9.068 3.251 1.00 0.00 H new ATOM 0 HG SER A 4 93.672 -10.048 5.311 1.00 0.00 H new ATOM 58 N TYR A 5 95.784 -7.856 1.798 1.00 0.00 N ATOM 59 CA TYR A 5 95.987 -7.406 0.391 1.00 0.00 C ATOM 60 C TYR A 5 95.499 -8.458 -0.608 1.00 0.00 C ATOM 61 O TYR A 5 95.548 -9.645 -0.348 1.00 0.00 O ATOM 62 CB TYR A 5 97.495 -7.178 0.245 1.00 0.00 C ATOM 63 CG TYR A 5 98.258 -8.448 0.548 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.524 -9.368 -0.474 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.707 -8.700 1.850 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.237 -10.540 -0.192 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.424 -9.870 2.131 1.00 0.00 C ATOM 68 CZ TYR A 5 99.688 -10.791 1.111 1.00 0.00 C ATOM 69 OH TYR A 5 100.394 -11.943 1.387 1.00 0.00 O ATOM 0 H TYR A 5 95.887 -8.858 1.960 1.00 0.00 H new ATOM 0 HA TYR A 5 95.417 -6.501 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.721 -6.844 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.815 -6.385 0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.179 -9.174 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.500 -7.992 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.439 -11.251 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.773 -10.061 3.135 1.00 0.00 H new ATOM 0 HH TYR A 5 101.158 -11.729 1.962 1.00 0.00 H new ATOM 79 N ASP A 6 95.052 -8.023 -1.764 1.00 0.00 N ATOM 80 CA ASP A 6 94.587 -8.988 -2.804 1.00 0.00 C ATOM 81 C ASP A 6 95.282 -8.666 -4.139 1.00 0.00 C ATOM 82 O ASP A 6 95.559 -7.516 -4.418 1.00 0.00 O ATOM 83 CB ASP A 6 93.074 -8.785 -2.911 1.00 0.00 C ATOM 84 CG ASP A 6 92.362 -9.616 -1.840 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.872 -10.669 -1.494 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.314 -9.185 -1.387 1.00 0.00 O ATOM 0 H ASP A 6 94.990 -7.040 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 6 94.823 -10.022 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.830 -7.730 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.728 -9.079 -3.902 1.00 0.00 H new ATOM 91 N PRO A 7 95.563 -9.685 -4.920 1.00 0.00 N ATOM 92 CA PRO A 7 96.256 -9.470 -6.216 1.00 0.00 C ATOM 93 C PRO A 7 95.294 -9.020 -7.329 1.00 0.00 C ATOM 94 O PRO A 7 95.732 -8.675 -8.412 1.00 0.00 O ATOM 95 CB PRO A 7 96.831 -10.844 -6.540 1.00 0.00 C ATOM 96 CG PRO A 7 95.959 -11.828 -5.822 1.00 0.00 C ATOM 97 CD PRO A 7 95.282 -11.109 -4.681 1.00 0.00 C ATOM 0 HA PRO A 7 97.005 -8.681 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.826 -11.027 -7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.866 -10.923 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.217 -12.246 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.554 -12.661 -5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.210 -11.305 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.676 -11.434 -3.718 1.00 0.00 H new ATOM 105 N ILE A 8 94.002 -9.028 -7.096 1.00 0.00 N ATOM 106 CA ILE A 8 93.052 -8.607 -8.182 1.00 0.00 C ATOM 107 C ILE A 8 93.194 -7.108 -8.479 1.00 0.00 C ATOM 108 O ILE A 8 93.130 -6.696 -9.623 1.00 0.00 O ATOM 109 CB ILE A 8 91.634 -8.958 -7.686 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.246 -8.100 -6.475 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.571 -10.436 -7.295 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.767 -8.317 -6.160 1.00 0.00 C ATOM 0 H ILE A 8 93.567 -9.303 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 8 93.266 -9.123 -9.118 1.00 0.00 H new ATOM 0 HB ILE A 8 90.934 -8.757 -8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.857 -8.368 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.435 -7.047 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.567 -10.677 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.812 -11.052 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.289 -10.633 -6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.485 -7.710 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.165 -8.027 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.594 -9.369 -5.934 1.00 0.00 H new ATOM 124 N TYR A 9 93.361 -6.294 -7.469 1.00 0.00 N ATOM 125 CA TYR A 9 93.478 -4.824 -7.710 1.00 0.00 C ATOM 126 C TYR A 9 94.829 -4.465 -8.336 1.00 0.00 C ATOM 127 O TYR A 9 95.655 -3.778 -7.772 1.00 0.00 O ATOM 128 CB TYR A 9 93.244 -4.142 -6.366 1.00 0.00 C ATOM 129 CG TYR A 9 91.818 -4.393 -5.947 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.771 -3.939 -6.755 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.541 -5.090 -4.766 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.446 -4.179 -6.385 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.212 -5.333 -4.394 1.00 0.00 C ATOM 134 CZ TYR A 9 89.163 -4.880 -5.202 1.00 0.00 C ATOM 135 OH TYR A 9 87.852 -5.124 -4.827 1.00 0.00 O ATOM 0 H TYR A 9 93.421 -6.581 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 9 92.737 -4.480 -8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.934 -4.532 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.433 -3.071 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.987 -3.402 -7.667 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.350 -5.440 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.639 -3.825 -7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.997 -5.871 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 9 87.840 -5.622 -3.983 1.00 0.00 H new ATOM 145 N ALA A 10 94.990 -4.907 -9.559 1.00 0.00 N ATOM 146 CA ALA A 10 96.204 -4.609 -10.370 1.00 0.00 C ATOM 147 C ALA A 10 95.829 -3.556 -11.417 1.00 0.00 C ATOM 148 O ALA A 10 94.683 -3.167 -11.545 1.00 0.00 O ATOM 149 CB ALA A 10 96.620 -5.928 -11.022 1.00 0.00 C ATOM 0 H ALA A 10 94.301 -5.483 -10.043 1.00 0.00 H new ATOM 0 HA ALA A 10 97.030 -4.216 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.509 -5.768 -11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.838 -6.664 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.809 -6.294 -11.652 1.00 0.00 H new ATOM 155 N ALA A 11 96.810 -3.037 -12.106 1.00 0.00 N ATOM 156 CA ALA A 11 96.563 -1.935 -13.087 1.00 0.00 C ATOM 157 C ALA A 11 95.576 -2.311 -14.197 1.00 0.00 C ATOM 158 O ALA A 11 94.857 -1.451 -14.677 1.00 0.00 O ATOM 159 CB ALA A 11 97.934 -1.610 -13.684 1.00 0.00 C ATOM 0 H ALA A 11 97.784 -3.332 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 11 96.103 -1.086 -12.581 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.832 -0.808 -14.415 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.611 -1.294 -12.890 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.337 -2.497 -14.173 1.00 0.00 H new ATOM 165 N ASP A 12 95.540 -3.544 -14.652 1.00 0.00 N ATOM 166 CA ASP A 12 94.597 -3.865 -15.772 1.00 0.00 C ATOM 167 C ASP A 12 93.227 -4.334 -15.265 1.00 0.00 C ATOM 168 O ASP A 12 92.416 -4.823 -16.028 1.00 0.00 O ATOM 169 CB ASP A 12 95.288 -4.951 -16.596 1.00 0.00 C ATOM 170 CG ASP A 12 96.489 -4.356 -17.341 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.478 -3.161 -17.597 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.400 -5.108 -17.646 1.00 0.00 O1- ATOM 0 H ASP A 12 96.105 -4.321 -14.308 1.00 0.00 H new ATOM 0 HA ASP A 12 94.388 -2.977 -16.368 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.618 -5.760 -15.944 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.584 -5.382 -17.308 1.00 0.00 H new ATOM 177 N LEU A 13 92.959 -4.183 -13.996 1.00 0.00 N ATOM 178 CA LEU A 13 91.638 -4.611 -13.439 1.00 0.00 C ATOM 179 C LEU A 13 90.538 -3.683 -13.944 1.00 0.00 C ATOM 180 O LEU A 13 90.595 -2.481 -13.761 1.00 0.00 O ATOM 181 CB LEU A 13 91.787 -4.470 -11.924 1.00 0.00 C ATOM 182 CG LEU A 13 90.543 -5.026 -11.233 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.486 -6.543 -11.426 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.610 -4.706 -9.740 1.00 0.00 C ATOM 0 H LEU A 13 93.601 -3.779 -13.315 1.00 0.00 H new ATOM 0 HA LEU A 13 91.371 -5.626 -13.735 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.674 -5.005 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.925 -3.422 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 13 89.652 -4.572 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.598 -6.939 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.443 -6.773 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.376 -6.999 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.724 -5.101 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.501 -5.163 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.653 -3.626 -9.601 1.00 0.00 H new ATOM 196 N SER A 14 89.537 -4.234 -14.580 1.00 0.00 N ATOM 197 CA SER A 14 88.429 -3.387 -15.104 1.00 0.00 C ATOM 198 C SER A 14 87.595 -2.837 -13.945 1.00 0.00 C ATOM 199 O SER A 14 87.282 -3.532 -12.999 1.00 0.00 O ATOM 200 CB SER A 14 87.598 -4.292 -16.008 1.00 0.00 C ATOM 201 OG SER A 14 86.513 -3.551 -16.550 1.00 0.00 O ATOM 0 H SER A 14 89.441 -5.234 -14.758 1.00 0.00 H new ATOM 0 HA SER A 14 88.801 -2.525 -15.659 1.00 0.00 H new ATOM 0 HB2 SER A 14 88.218 -4.690 -16.811 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.223 -5.145 -15.442 1.00 0.00 H new ATOM 0 HG SER A 14 85.979 -4.131 -17.132 1.00 0.00 H new ATOM 207 N MET A 15 87.261 -1.580 -14.018 1.00 0.00 N ATOM 208 CA MET A 15 86.468 -0.930 -12.927 1.00 0.00 C ATOM 209 C MET A 15 85.030 -1.462 -12.871 1.00 0.00 C ATOM 210 O MET A 15 84.336 -1.262 -11.892 1.00 0.00 O ATOM 211 CB MET A 15 86.463 0.561 -13.272 1.00 0.00 C ATOM 212 CG MET A 15 87.892 1.105 -13.224 1.00 0.00 C ATOM 213 SD MET A 15 88.467 1.132 -11.508 1.00 0.00 S ATOM 214 CE MET A 15 87.397 2.472 -10.931 1.00 0.00 C ATOM 0 H MET A 15 87.504 -0.964 -14.794 1.00 0.00 H new ATOM 0 HA MET A 15 86.905 -1.136 -11.950 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.039 0.713 -14.264 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.832 1.105 -12.569 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.550 0.483 -13.830 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.925 2.109 -13.646 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.962 3.130 -10.271 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.033 3.041 -11.786 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.550 2.053 -10.387 1.00 0.00 H new ATOM 224 N GLY A 16 84.561 -2.112 -13.907 1.00 0.00 N ATOM 225 CA GLY A 16 83.157 -2.625 -13.909 1.00 0.00 C ATOM 226 C GLY A 16 82.987 -3.785 -12.924 1.00 0.00 C ATOM 227 O GLY A 16 81.875 -4.166 -12.608 1.00 0.00 O ATOM 0 H GLY A 16 85.093 -2.310 -14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.473 -1.819 -13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.890 -2.955 -14.913 1.00 0.00 H new ATOM 231 N SER A 17 84.061 -4.366 -12.452 1.00 0.00 N ATOM 232 CA SER A 17 83.936 -5.516 -11.509 1.00 0.00 C ATOM 233 C SER A 17 83.918 -5.060 -10.043 1.00 0.00 C ATOM 234 O SER A 17 83.687 -5.861 -9.156 1.00 0.00 O ATOM 235 CB SER A 17 85.165 -6.378 -11.779 1.00 0.00 C ATOM 236 OG SER A 17 85.006 -7.637 -11.138 1.00 0.00 O ATOM 0 H SER A 17 85.017 -4.093 -12.679 1.00 0.00 H new ATOM 0 HA SER A 17 83.000 -6.052 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.297 -6.517 -12.852 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.061 -5.880 -11.410 1.00 0.00 H new ATOM 0 HG SER A 17 84.549 -7.512 -10.280 1.00 0.00 H new ATOM 242 N VAL A 18 84.168 -3.800 -9.771 1.00 0.00 N ATOM 243 CA VAL A 18 84.172 -3.339 -8.349 1.00 0.00 C ATOM 244 C VAL A 18 82.811 -2.739 -7.982 1.00 0.00 C ATOM 245 O VAL A 18 81.983 -2.488 -8.835 1.00 0.00 O ATOM 246 CB VAL A 18 85.288 -2.287 -8.272 1.00 0.00 C ATOM 247 CG1 VAL A 18 84.992 -1.127 -9.233 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.400 -1.746 -6.845 1.00 0.00 C ATOM 0 H VAL A 18 84.367 -3.080 -10.465 1.00 0.00 H new ATOM 0 HA VAL A 18 84.346 -4.154 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 18 86.229 -2.758 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 18 85.791 -0.388 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 18 84.930 -1.506 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.045 -0.662 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.194 -1.001 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.455 -1.288 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.631 -2.564 -6.163 1.00 0.00 H new ATOM 258 N ALA A 19 82.576 -2.516 -6.714 1.00 0.00 N ATOM 259 CA ALA A 19 81.268 -1.935 -6.278 1.00 0.00 C ATOM 260 C ALA A 19 81.056 -0.567 -6.938 1.00 0.00 C ATOM 261 O ALA A 19 79.992 -0.283 -7.445 1.00 0.00 O ATOM 262 CB ALA A 19 81.376 -1.795 -4.755 1.00 0.00 C ATOM 0 H ALA A 19 83.234 -2.711 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 19 80.421 -2.560 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.451 -1.374 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.546 -2.776 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.208 -1.136 -4.508 1.00 0.00 H new ATOM 268 N CYS A 20 82.068 0.264 -6.959 1.00 0.00 N ATOM 269 CA CYS A 20 81.934 1.606 -7.615 1.00 0.00 C ATOM 270 C CYS A 20 82.130 1.447 -9.130 1.00 0.00 C ATOM 271 O CYS A 20 83.208 1.659 -9.652 1.00 0.00 O ATOM 272 CB CYS A 20 83.050 2.455 -7.001 1.00 0.00 C ATOM 273 SG CYS A 20 82.680 2.748 -5.250 1.00 0.00 S ATOM 0 H CYS A 20 82.983 0.073 -6.550 1.00 0.00 H new ATOM 0 HA CYS A 20 80.957 2.064 -7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.008 1.946 -7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.135 3.404 -7.531 1.00 0.00 H new ATOM 278 N SER A 21 81.094 1.044 -9.829 1.00 0.00 N ATOM 279 CA SER A 21 81.210 0.831 -11.307 1.00 0.00 C ATOM 280 C SER A 21 80.622 1.995 -12.119 1.00 0.00 C ATOM 281 O SER A 21 81.348 2.828 -12.629 1.00 0.00 O ATOM 282 CB SER A 21 80.444 -0.462 -11.586 1.00 0.00 C ATOM 283 OG SER A 21 81.336 -1.563 -11.510 1.00 0.00 O ATOM 0 H SER A 21 80.171 0.853 -9.438 1.00 0.00 H new ATOM 0 HA SER A 21 82.256 0.772 -11.607 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.637 -0.583 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.984 -0.420 -12.573 1.00 0.00 H new ATOM 0 HG SER A 21 81.490 -1.795 -10.570 1.00 0.00 H new ATOM 289 N ASN A 22 79.317 2.042 -12.271 1.00 0.00 N ATOM 290 CA ASN A 22 78.697 3.135 -13.087 1.00 0.00 C ATOM 291 C ASN A 22 77.523 3.811 -12.375 1.00 0.00 C ATOM 292 O ASN A 22 76.801 4.588 -12.975 1.00 0.00 O ATOM 293 CB ASN A 22 78.208 2.441 -14.354 1.00 0.00 C ATOM 294 CG ASN A 22 79.406 2.070 -15.228 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.598 0.918 -15.561 1.00 0.00 O ATOM 296 ND2 ASN A 22 80.226 3.007 -15.616 1.00 0.00 N ATOM 0 H ASN A 22 78.659 1.375 -11.868 1.00 0.00 H new ATOM 0 HA ASN A 22 79.418 3.930 -13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 22 77.642 1.546 -14.096 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.533 3.097 -14.903 1.00 0.00 H new ATOM 0 HD21 ASN A 22 81.029 2.772 -16.199 1.00 0.00 H new ATOM 0 HD22 ASN A 22 80.064 3.974 -15.336 1.00 0.00 H new ATOM 303 N GLY A 23 77.319 3.535 -11.118 1.00 0.00 N ATOM 304 CA GLY A 23 76.187 4.174 -10.384 1.00 0.00 C ATOM 305 C GLY A 23 76.525 5.638 -10.109 1.00 0.00 C ATOM 306 O GLY A 23 77.223 6.280 -10.872 1.00 0.00 O ATOM 0 H GLY A 23 77.887 2.894 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.272 4.105 -10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.004 3.649 -9.447 1.00 0.00 H new ATOM 310 N ASP A 24 76.040 6.161 -9.018 1.00 0.00 N ATOM 311 CA ASP A 24 76.327 7.585 -8.661 1.00 0.00 C ATOM 312 C ASP A 24 77.819 7.789 -8.391 1.00 0.00 C ATOM 313 O ASP A 24 78.382 8.803 -8.757 1.00 0.00 O ATOM 314 CB ASP A 24 75.525 7.843 -7.382 1.00 0.00 C ATOM 315 CG ASP A 24 74.028 7.867 -7.708 1.00 0.00 C ATOM 316 OD1 ASP A 24 73.686 8.235 -8.822 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 73.248 7.519 -6.837 1.00 0.00 O ATOM 0 H ASP A 24 75.452 5.662 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 24 76.056 8.265 -9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.735 7.066 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.826 8.792 -6.938 1.00 0.00 H new ATOM 322 N HIS A 25 78.457 6.857 -7.734 1.00 0.00 N ATOM 323 CA HIS A 25 79.913 7.032 -7.418 1.00 0.00 C ATOM 324 C HIS A 25 80.790 6.230 -8.383 1.00 0.00 C ATOM 325 O HIS A 25 81.959 6.011 -8.122 1.00 0.00 O ATOM 326 CB HIS A 25 80.087 6.507 -5.991 1.00 0.00 C ATOM 327 CG HIS A 25 79.082 7.159 -5.082 1.00 0.00 C ATOM 328 ND1 HIS A 25 79.316 8.368 -4.447 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.818 6.779 -4.718 1.00 0.00 C ATOM 330 CE1 HIS A 25 78.211 8.671 -3.740 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.267 7.735 -3.870 1.00 0.00 N ATOM 0 H HIS A 25 78.040 5.987 -7.403 1.00 0.00 H new ATOM 0 HA HIS A 25 80.214 8.075 -7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.958 5.425 -5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 25 81.098 6.713 -5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.324 5.874 -5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 25 78.101 9.563 -3.141 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.342 7.723 -3.440 1.00 0.00 H new ATOM 339 N GLY A 26 80.247 5.788 -9.493 1.00 0.00 N ATOM 340 CA GLY A 26 81.065 5.001 -10.466 1.00 0.00 C ATOM 341 C GLY A 26 82.278 5.821 -10.907 1.00 0.00 C ATOM 342 O GLY A 26 82.164 6.970 -11.285 1.00 0.00 O ATOM 0 H GLY A 26 79.276 5.938 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.393 4.068 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.460 4.736 -11.333 1.00 0.00 H new ATOM 346 N LEU A 27 83.434 5.221 -10.866 1.00 0.00 N ATOM 347 CA LEU A 27 84.676 5.934 -11.291 1.00 0.00 C ATOM 348 C LEU A 27 85.032 5.575 -12.746 1.00 0.00 C ATOM 349 O LEU A 27 85.960 6.119 -13.315 1.00 0.00 O ATOM 350 CB LEU A 27 85.756 5.447 -10.322 1.00 0.00 C ATOM 351 CG LEU A 27 85.395 5.879 -8.897 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.326 5.194 -7.892 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.546 7.396 -8.771 1.00 0.00 C ATOM 0 H LEU A 27 83.575 4.260 -10.554 1.00 0.00 H new ATOM 0 HA LEU A 27 84.565 7.018 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.843 4.362 -10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.725 5.859 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 27 84.365 5.592 -8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.063 5.506 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.220 4.112 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.358 5.475 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.289 7.704 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.577 7.678 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.880 7.888 -9.480 1.00 0.00 H new ATOM 365 N MET A 28 84.299 4.666 -13.349 1.00 0.00 N ATOM 366 CA MET A 28 84.581 4.269 -14.764 1.00 0.00 C ATOM 367 C MET A 28 84.438 5.475 -15.703 1.00 0.00 C ATOM 368 O MET A 28 85.126 5.578 -16.699 1.00 0.00 O ATOM 369 CB MET A 28 83.523 3.205 -15.099 1.00 0.00 C ATOM 370 CG MET A 28 83.705 2.710 -16.542 1.00 0.00 C ATOM 371 SD MET A 28 84.993 1.440 -16.596 1.00 0.00 S ATOM 372 CE MET A 28 84.063 0.138 -15.752 1.00 0.00 C ATOM 0 H MET A 28 83.513 4.180 -12.917 1.00 0.00 H new ATOM 0 HA MET A 28 85.597 3.893 -14.886 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.607 2.368 -14.406 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.524 3.623 -14.974 1.00 0.00 H new ATOM 0 HG2 MET A 28 82.766 2.305 -16.918 1.00 0.00 H new ATOM 0 HG3 MET A 28 83.975 3.543 -17.191 1.00 0.00 H new ATOM 0 HE1 MET A 28 84.508 -0.831 -15.977 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.092 0.309 -14.676 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.028 0.150 -16.093 1.00 0.00 H new ATOM 382 N ALA A 29 83.515 6.360 -15.414 1.00 0.00 N ATOM 383 CA ALA A 29 83.277 7.537 -16.314 1.00 0.00 C ATOM 384 C ALA A 29 84.584 8.270 -16.660 1.00 0.00 C ATOM 385 O ALA A 29 85.111 8.131 -17.748 1.00 0.00 O ATOM 386 CB ALA A 29 82.345 8.459 -15.527 1.00 0.00 C ATOM 0 H ALA A 29 82.913 6.319 -14.591 1.00 0.00 H new ATOM 0 HA ALA A 29 82.850 7.221 -17.266 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.124 9.346 -16.121 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.418 7.933 -15.302 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.828 8.757 -14.597 1.00 0.00 H new ATOM 392 N GLN A 30 85.103 9.050 -15.744 1.00 0.00 N ATOM 393 CA GLN A 30 86.372 9.798 -16.016 1.00 0.00 C ATOM 394 C GLN A 30 87.558 8.829 -16.086 1.00 0.00 C ATOM 395 O GLN A 30 88.442 8.971 -16.909 1.00 0.00 O ATOM 396 CB GLN A 30 86.522 10.762 -14.839 1.00 0.00 C ATOM 397 CG GLN A 30 87.764 11.626 -15.039 1.00 0.00 C ATOM 398 CD GLN A 30 87.874 12.637 -13.897 1.00 0.00 C ATOM 399 OE1 GLN A 30 88.125 13.804 -14.123 1.00 0.00 O ATOM 400 NE2 GLN A 30 87.690 12.238 -12.667 1.00 0.00 N ATOM 0 H GLN A 30 84.703 9.202 -14.818 1.00 0.00 H new ATOM 0 HA GLN A 30 86.346 10.325 -16.970 1.00 0.00 H new ATOM 0 HB2 GLN A 30 85.637 11.393 -14.758 1.00 0.00 H new ATOM 0 HB3 GLN A 30 86.602 10.203 -13.906 1.00 0.00 H new ATOM 0 HG2 GLN A 30 88.655 10.999 -15.070 1.00 0.00 H new ATOM 0 HG3 GLN A 30 87.707 12.147 -15.995 1.00 0.00 H new ATOM 0 HE21 GLN A 30 87.479 11.259 -12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 30 87.757 12.906 -11.899 1.00 0.00 H new ATOM 409 N TYR A 31 87.578 7.849 -15.219 1.00 0.00 N ATOM 410 CA TYR A 31 88.699 6.862 -15.210 1.00 0.00 C ATOM 411 C TYR A 31 88.152 5.445 -15.431 1.00 0.00 C ATOM 412 O TYR A 31 87.758 4.789 -14.487 1.00 0.00 O ATOM 413 CB TYR A 31 89.318 6.994 -13.821 1.00 0.00 C ATOM 414 CG TYR A 31 89.929 8.368 -13.683 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.983 8.750 -14.520 1.00 0.00 C ATOM 416 CD2 TYR A 31 89.442 9.258 -12.720 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.551 10.022 -14.395 1.00 0.00 C ATOM 418 CE2 TYR A 31 90.010 10.531 -12.595 1.00 0.00 C ATOM 419 CZ TYR A 31 91.064 10.914 -13.432 1.00 0.00 C ATOM 420 OH TYR A 31 91.624 12.169 -13.308 1.00 0.00 O ATOM 0 H TYR A 31 86.860 7.689 -14.512 1.00 0.00 H new ATOM 0 HA TYR A 31 89.428 7.045 -16.000 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.558 6.841 -13.054 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.079 6.227 -13.673 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.358 8.062 -15.263 1.00 0.00 H new ATOM 0 HD2 TYR A 31 88.629 8.963 -12.074 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.365 10.316 -15.041 1.00 0.00 H new ATOM 0 HE2 TYR A 31 89.634 11.219 -11.852 1.00 0.00 H new ATOM 0 HH TYR A 31 91.168 12.661 -12.594 1.00 0.00 H new ATOM 430 N PRO A 32 88.132 5.011 -16.675 1.00 0.00 N ATOM 431 CA PRO A 32 87.610 3.657 -16.983 1.00 0.00 C ATOM 432 C PRO A 32 88.573 2.565 -16.486 1.00 0.00 C ATOM 433 O PRO A 32 88.231 1.398 -16.465 1.00 0.00 O ATOM 434 CB PRO A 32 87.497 3.648 -18.506 1.00 0.00 C ATOM 435 CG PRO A 32 88.479 4.673 -18.974 1.00 0.00 C ATOM 436 CD PRO A 32 88.585 5.713 -17.889 1.00 0.00 C ATOM 0 HA PRO A 32 86.659 3.450 -16.492 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.730 2.664 -18.913 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.485 3.895 -18.828 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.450 4.217 -19.166 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.148 5.124 -19.909 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.607 6.075 -17.782 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.961 6.580 -18.105 1.00 0.00 H new ATOM 444 N THR A 33 89.765 2.934 -16.080 1.00 0.00 N ATOM 445 CA THR A 33 90.739 1.918 -15.579 1.00 0.00 C ATOM 446 C THR A 33 91.254 2.315 -14.202 1.00 0.00 C ATOM 447 O THR A 33 91.283 3.479 -13.848 1.00 0.00 O ATOM 448 CB THR A 33 91.891 1.930 -16.581 1.00 0.00 C ATOM 449 OG1 THR A 33 92.312 3.268 -16.802 1.00 0.00 O ATOM 450 CG2 THR A 33 91.435 1.308 -17.894 1.00 0.00 C ATOM 0 H THR A 33 90.104 3.896 -16.075 1.00 0.00 H new ATOM 0 HA THR A 33 90.281 0.933 -15.488 1.00 0.00 H new ATOM 0 HB THR A 33 92.725 1.351 -16.183 1.00 0.00 H new ATOM 0 HG1 THR A 33 93.053 3.276 -17.444 1.00 0.00 H new ATOM 0 HG21 THR A 33 92.259 1.318 -18.607 1.00 0.00 H new ATOM 0 HG22 THR A 33 91.119 0.280 -17.719 1.00 0.00 H new ATOM 0 HG23 THR A 33 90.600 1.881 -18.297 1.00 0.00 H new ATOM 458 N LEU A 34 91.668 1.347 -13.429 1.00 0.00 N ATOM 459 CA LEU A 34 92.195 1.645 -12.070 1.00 0.00 C ATOM 460 C LEU A 34 93.625 2.167 -12.182 1.00 0.00 C ATOM 461 O LEU A 34 94.514 1.460 -12.621 1.00 0.00 O ATOM 462 CB LEU A 34 92.177 0.303 -11.335 1.00 0.00 C ATOM 463 CG LEU A 34 92.695 0.487 -9.906 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.668 1.281 -9.088 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.924 -0.888 -9.261 1.00 0.00 C ATOM 0 H LEU A 34 91.663 0.359 -13.683 1.00 0.00 H new ATOM 0 HA LEU A 34 91.608 2.401 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.163 -0.098 -11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.796 -0.421 -11.865 1.00 0.00 H new ATOM 0 HG LEU A 34 93.638 1.034 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.036 1.412 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.514 2.258 -9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.723 0.738 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.293 -0.756 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.984 -1.440 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.658 -1.445 -9.843 1.00 0.00 H new ATOM 477 N GLY A 35 93.854 3.389 -11.796 1.00 0.00 N ATOM 478 CA GLY A 35 95.233 3.949 -11.884 1.00 0.00 C ATOM 479 C GLY A 35 95.184 5.476 -12.000 1.00 0.00 C ATOM 480 O GLY A 35 96.013 6.073 -12.659 1.00 0.00 O ATOM 0 H GLY A 35 93.149 4.025 -11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.805 3.663 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.748 3.529 -12.748 1.00 0.00 H new ATOM 484 N GLU A 36 94.226 6.115 -11.368 1.00 0.00 N ATOM 485 CA GLU A 36 94.142 7.600 -11.451 1.00 0.00 C ATOM 486 C GLU A 36 93.376 8.165 -10.250 1.00 0.00 C ATOM 487 O GLU A 36 93.830 9.093 -9.607 1.00 0.00 O ATOM 488 CB GLU A 36 93.393 7.869 -12.757 1.00 0.00 C ATOM 489 CG GLU A 36 94.371 8.379 -13.821 1.00 0.00 C ATOM 490 CD GLU A 36 93.894 7.953 -15.213 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.265 6.912 -15.314 1.00 0.00 O ATOM 492 OE2 GLU A 36 94.169 8.677 -16.157 1.00 0.00 O1- ATOM 0 H GLU A 36 93.504 5.670 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 36 95.123 8.075 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 36 92.908 6.956 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.606 8.605 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 36 94.445 9.465 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.368 7.982 -13.631 1.00 0.00 H new ATOM 499 N VAL A 37 92.228 7.610 -9.928 1.00 0.00 N ATOM 500 CA VAL A 37 91.456 8.123 -8.749 1.00 0.00 C ATOM 501 C VAL A 37 92.319 7.941 -7.477 1.00 0.00 C ATOM 502 O VAL A 37 92.626 8.908 -6.807 1.00 0.00 O ATOM 503 CB VAL A 37 90.145 7.295 -8.738 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.584 7.124 -7.317 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.100 8.022 -9.586 1.00 0.00 C ATOM 0 H VAL A 37 91.796 6.831 -10.426 1.00 0.00 H new ATOM 0 HA VAL A 37 91.214 9.185 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 37 90.368 6.306 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.666 6.538 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.317 6.609 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.371 8.104 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.172 7.451 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.917 9.012 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.466 8.122 -10.608 1.00 0.00 H new ATOM 515 N PRO A 38 92.714 6.717 -7.202 1.00 0.00 N ATOM 516 CA PRO A 38 93.579 6.454 -6.024 1.00 0.00 C ATOM 517 C PRO A 38 95.026 6.828 -6.359 1.00 0.00 C ATOM 518 O PRO A 38 95.813 7.169 -5.497 1.00 0.00 O ATOM 519 CB PRO A 38 93.478 4.947 -5.832 1.00 0.00 C ATOM 520 CG PRO A 38 93.137 4.400 -7.180 1.00 0.00 C ATOM 521 CD PRO A 38 92.402 5.475 -7.933 1.00 0.00 C ATOM 0 HA PRO A 38 93.284 7.021 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.418 4.533 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.711 4.694 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.041 4.107 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.519 3.507 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.734 5.531 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.329 5.284 -7.951 1.00 0.00 H new ATOM 529 N GLY A 39 95.376 6.735 -7.615 1.00 0.00 N ATOM 530 CA GLY A 39 96.762 7.042 -8.057 1.00 0.00 C ATOM 531 C GLY A 39 97.259 5.849 -8.874 1.00 0.00 C ATOM 532 O GLY A 39 97.529 5.962 -10.052 1.00 0.00 O ATOM 0 H GLY A 39 94.745 6.453 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.780 7.952 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.409 7.214 -7.197 1.00 0.00 H new ATOM 536 N PHE A 40 97.319 4.696 -8.237 1.00 0.00 N ATOM 537 CA PHE A 40 97.737 3.402 -8.896 1.00 0.00 C ATOM 538 C PHE A 40 98.106 2.350 -7.816 1.00 0.00 C ATOM 539 O PHE A 40 97.579 1.255 -7.837 1.00 0.00 O ATOM 540 CB PHE A 40 98.931 3.689 -9.859 1.00 0.00 C ATOM 541 CG PHE A 40 99.663 2.408 -10.240 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.947 1.223 -10.471 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.058 2.413 -10.364 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.624 0.049 -10.820 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.735 1.238 -10.715 1.00 0.00 C ATOM 546 CZ PHE A 40 101.018 0.057 -10.942 1.00 0.00 C ATOM 0 H PHE A 40 97.087 4.594 -7.249 1.00 0.00 H new ATOM 0 HA PHE A 40 96.913 2.991 -9.480 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.563 4.180 -10.760 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.627 4.379 -9.381 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.871 1.217 -10.379 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.612 3.323 -10.189 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.071 -0.862 -10.995 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.811 1.243 -10.811 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.541 -0.849 -11.211 1.00 0.00 H new ATOM 556 N PRO A 41 99.023 2.691 -6.920 1.00 0.00 N ATOM 557 CA PRO A 41 99.469 1.749 -5.873 1.00 0.00 C ATOM 558 C PRO A 41 98.826 2.072 -4.516 1.00 0.00 C ATOM 559 O PRO A 41 99.280 1.609 -3.487 1.00 0.00 O ATOM 560 CB PRO A 41 100.965 2.052 -5.808 1.00 0.00 C ATOM 561 CG PRO A 41 101.109 3.477 -6.295 1.00 0.00 C ATOM 562 CD PRO A 41 99.746 3.946 -6.760 1.00 0.00 C ATOM 0 HA PRO A 41 99.213 0.712 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.344 1.944 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.533 1.364 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.482 4.118 -5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.831 3.531 -7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.270 4.599 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.805 4.503 -7.695 1.00 0.00 H new ATOM 570 N ASN A 42 97.792 2.872 -4.504 1.00 0.00 N ATOM 571 CA ASN A 42 97.137 3.242 -3.218 1.00 0.00 C ATOM 572 C ASN A 42 95.650 2.912 -3.298 1.00 0.00 C ATOM 573 O ASN A 42 94.809 3.662 -2.843 1.00 0.00 O ATOM 574 CB ASN A 42 97.346 4.751 -3.107 1.00 0.00 C ATOM 575 CG ASN A 42 98.841 5.057 -2.989 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.442 5.570 -3.913 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.472 4.766 -1.885 1.00 0.00 N ATOM 0 H ASN A 42 97.372 3.287 -5.336 1.00 0.00 H new ATOM 0 HA ASN A 42 97.543 2.709 -2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 42 96.931 5.251 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.816 5.138 -2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.468 4.969 -1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.970 4.336 -1.109 1.00 0.00 H new ATOM 584 N VAL A 43 95.328 1.797 -3.896 1.00 0.00 N ATOM 585 CA VAL A 43 93.899 1.403 -4.043 1.00 0.00 C ATOM 586 C VAL A 43 93.664 0.024 -3.427 1.00 0.00 C ATOM 587 O VAL A 43 94.531 -0.838 -3.433 1.00 0.00 O ATOM 588 CB VAL A 43 93.655 1.387 -5.555 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.581 0.364 -6.236 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.193 1.029 -5.830 1.00 0.00 C ATOM 0 H VAL A 43 95.999 1.138 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 43 93.219 2.085 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 43 93.871 2.375 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.396 0.364 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.621 0.632 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.383 -0.630 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.017 1.017 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.975 0.044 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.543 1.770 -5.364 1.00 0.00 H new ATOM 600 N GLY A 44 92.489 -0.182 -2.890 1.00 0.00 N ATOM 601 CA GLY A 44 92.172 -1.493 -2.268 1.00 0.00 C ATOM 602 C GLY A 44 90.711 -1.518 -1.845 1.00 0.00 C ATOM 603 O GLY A 44 90.014 -0.526 -1.927 1.00 0.00 O ATOM 0 H GLY A 44 91.736 0.506 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.370 -2.299 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.814 -1.661 -1.403 1.00 0.00 H new ATOM 607 N GLY A 45 90.259 -2.640 -1.353 1.00 0.00 N ATOM 608 CA GLY A 45 88.856 -2.729 -0.879 1.00 0.00 C ATOM 609 C GLY A 45 88.790 -2.020 0.461 1.00 0.00 C ATOM 610 O GLY A 45 89.756 -1.998 1.201 1.00 0.00 O ATOM 0 H GLY A 45 90.804 -3.497 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.178 -2.264 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.549 -3.770 -0.779 1.00 0.00 H new ATOM 614 N ILE A 46 87.672 -1.439 0.784 1.00 0.00 N ATOM 615 CA ILE A 46 87.560 -0.728 2.082 1.00 0.00 C ATOM 616 C ILE A 46 86.139 -0.965 2.663 1.00 0.00 C ATOM 617 O ILE A 46 85.169 -0.988 1.929 1.00 0.00 O ATOM 618 CB ILE A 46 87.862 0.756 1.746 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.756 1.341 0.856 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.212 0.872 1.025 1.00 0.00 C ATOM 621 CD1 ILE A 46 86.057 2.491 1.592 1.00 0.00 C ATOM 0 H ILE A 46 86.832 -1.426 0.206 1.00 0.00 H new ATOM 0 HA ILE A 46 88.251 -1.076 2.850 1.00 0.00 H new ATOM 0 HB ILE A 46 87.902 1.317 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.181 1.701 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.033 0.566 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.413 1.918 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 46 90.002 0.484 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.181 0.296 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.272 2.905 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.617 2.117 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.784 3.269 1.824 1.00 0.00 H new ATOM 633 N PRO A 47 86.068 -1.185 3.963 1.00 0.00 N ATOM 634 CA PRO A 47 84.764 -1.487 4.652 1.00 0.00 C ATOM 635 C PRO A 47 83.680 -0.403 4.511 1.00 0.00 C ATOM 636 O PRO A 47 82.547 -0.635 4.892 1.00 0.00 O ATOM 637 CB PRO A 47 85.181 -1.626 6.121 1.00 0.00 C ATOM 638 CG PRO A 47 86.456 -0.864 6.215 1.00 0.00 C ATOM 639 CD PRO A 47 87.172 -1.172 4.938 1.00 0.00 C ATOM 0 HA PRO A 47 84.295 -2.366 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 47 84.423 -1.218 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 47 85.321 -2.671 6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 47 86.272 0.205 6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 47 87.040 -1.173 7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.920 -0.417 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.689 -2.130 4.981 1.00 0.00 H new ATOM 647 N ASP A 48 83.987 0.768 4.010 1.00 0.00 N ATOM 648 CA ASP A 48 82.927 1.828 3.911 1.00 0.00 C ATOM 649 C ASP A 48 82.283 1.865 2.519 1.00 0.00 C ATOM 650 O ASP A 48 81.824 2.897 2.067 1.00 0.00 O ATOM 651 CB ASP A 48 83.630 3.144 4.235 1.00 0.00 C ATOM 652 CG ASP A 48 84.004 3.183 5.721 1.00 0.00 C ATOM 653 OD1 ASP A 48 83.312 2.553 6.506 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.974 3.845 6.049 1.00 0.00 O ATOM 0 H ASP A 48 84.910 1.037 3.669 1.00 0.00 H new ATOM 0 HA ASP A 48 82.108 1.630 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.526 3.248 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.979 3.984 3.993 1.00 0.00 H new ATOM 659 N ILE A 49 82.214 0.740 1.857 1.00 0.00 N ATOM 660 CA ILE A 49 81.563 0.687 0.511 1.00 0.00 C ATOM 661 C ILE A 49 80.387 -0.293 0.573 1.00 0.00 C ATOM 662 O ILE A 49 80.537 -1.426 0.991 1.00 0.00 O ATOM 663 CB ILE A 49 82.651 0.201 -0.448 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.847 1.162 -0.393 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.105 0.136 -1.880 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.437 2.579 -0.797 1.00 0.00 C ATOM 0 H ILE A 49 82.582 -0.150 2.191 1.00 0.00 H new ATOM 0 HA ILE A 49 81.168 1.649 0.184 1.00 0.00 H new ATOM 0 HB ILE A 49 82.970 -0.797 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.261 1.174 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.634 0.805 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.889 -0.211 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.263 -0.555 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.775 1.128 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.305 3.237 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.046 2.569 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.667 2.943 -0.116 1.00 0.00 H new ATOM 678 N ALA A 50 79.212 0.147 0.188 1.00 0.00 N ATOM 679 CA ALA A 50 78.013 -0.743 0.254 1.00 0.00 C ATOM 680 C ALA A 50 77.920 -1.657 -0.961 1.00 0.00 C ATOM 681 O ALA A 50 77.643 -2.836 -0.823 1.00 0.00 O ATOM 682 CB ALA A 50 76.815 0.205 0.298 1.00 0.00 C ATOM 0 H ALA A 50 79.033 1.086 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 50 78.059 -1.400 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.894 -0.375 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.889 0.844 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.807 0.823 -0.600 1.00 0.00 H new ATOM 688 N GLY A 51 78.133 -1.143 -2.144 1.00 0.00 N ATOM 689 CA GLY A 51 78.031 -2.020 -3.338 1.00 0.00 C ATOM 690 C GLY A 51 78.119 -1.212 -4.633 1.00 0.00 C ATOM 691 O GLY A 51 79.018 -0.421 -4.836 1.00 0.00 O ATOM 0 H GLY A 51 78.369 -0.168 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 51 78.829 -2.762 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.088 -2.565 -3.311 1.00 0.00 H new ATOM 695 N TRP A 52 77.193 -1.452 -5.522 1.00 0.00 N ATOM 696 CA TRP A 52 77.165 -0.776 -6.861 1.00 0.00 C ATOM 697 C TRP A 52 77.536 0.715 -6.819 1.00 0.00 C ATOM 698 O TRP A 52 78.075 1.229 -7.785 1.00 0.00 O ATOM 699 CB TRP A 52 75.734 -0.941 -7.363 1.00 0.00 C ATOM 700 CG TRP A 52 75.725 -0.700 -8.835 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.401 -1.440 -9.743 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.040 0.344 -9.583 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.171 -0.918 -11.003 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.338 0.182 -10.956 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.195 1.404 -9.207 1.00 0.00 C ATOM 706 CZ2 TRP A 52 74.818 1.042 -11.922 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.671 2.271 -10.178 1.00 0.00 C ATOM 708 CH2 TRP A 52 73.981 2.089 -11.532 1.00 0.00 C ATOM 0 H TRP A 52 76.428 -2.110 -5.374 1.00 0.00 H new ATOM 0 HA TRP A 52 77.912 -1.229 -7.512 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.366 -1.942 -7.140 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.071 -0.238 -6.859 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.019 -2.298 -9.521 1.00 0.00 H new ATOM 0 HE1 TRP A 52 76.568 -1.299 -11.862 1.00 0.00 H new ATOM 0 HE3 TRP A 52 73.948 1.551 -8.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.061 0.899 -12.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.025 3.083 -9.880 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.572 2.759 -12.274 1.00 0.00 H new ATOM 719 N ASP A 53 77.271 1.421 -5.746 1.00 0.00 N ATOM 720 CA ASP A 53 77.647 2.867 -5.721 1.00 0.00 C ATOM 721 C ASP A 53 77.749 3.378 -4.282 1.00 0.00 C ATOM 722 O ASP A 53 76.896 4.095 -3.797 1.00 0.00 O ATOM 723 CB ASP A 53 76.548 3.595 -6.508 1.00 0.00 C ATOM 724 CG ASP A 53 75.188 3.443 -5.826 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.033 2.526 -5.036 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 74.320 4.253 -6.115 1.00 0.00 O ATOM 0 H ASP A 53 76.820 1.066 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 53 78.626 3.040 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.798 4.652 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 53 76.497 3.196 -7.521 1.00 0.00 H new ATOM 731 N SER A 54 78.784 2.982 -3.593 1.00 0.00 N ATOM 732 CA SER A 54 78.966 3.404 -2.168 1.00 0.00 C ATOM 733 C SER A 54 78.921 4.937 -2.028 1.00 0.00 C ATOM 734 O SER A 54 79.467 5.639 -2.852 1.00 0.00 O ATOM 735 CB SER A 54 80.349 2.888 -1.779 1.00 0.00 C ATOM 736 OG SER A 54 80.827 3.614 -0.651 1.00 0.00 O ATOM 0 H SER A 54 79.521 2.378 -3.957 1.00 0.00 H new ATOM 0 HA SER A 54 78.173 3.010 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.300 1.824 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 81.039 2.999 -2.615 1.00 0.00 H new ATOM 0 HG SER A 54 80.254 3.431 0.123 1.00 0.00 H new ATOM 742 N PRO A 55 78.287 5.413 -0.974 1.00 0.00 N ATOM 743 CA PRO A 55 78.207 6.877 -0.748 1.00 0.00 C ATOM 744 C PRO A 55 79.567 7.428 -0.298 1.00 0.00 C ATOM 745 O PRO A 55 79.828 8.612 -0.405 1.00 0.00 O ATOM 746 CB PRO A 55 77.173 7.017 0.366 1.00 0.00 C ATOM 747 CG PRO A 55 77.203 5.713 1.091 1.00 0.00 C ATOM 748 CD PRO A 55 77.596 4.659 0.089 1.00 0.00 C ATOM 0 HA PRO A 55 77.936 7.431 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.420 7.844 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.182 7.220 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.916 5.746 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.227 5.490 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.249 3.909 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.724 4.132 -0.298 1.00 0.00 H new ATOM 756 N SER A 56 80.432 6.581 0.211 1.00 0.00 N ATOM 757 CA SER A 56 81.767 7.055 0.675 1.00 0.00 C ATOM 758 C SER A 56 82.870 6.682 -0.326 1.00 0.00 C ATOM 759 O SER A 56 84.039 6.734 -0.004 1.00 0.00 O ATOM 760 CB SER A 56 81.994 6.340 2.007 1.00 0.00 C ATOM 761 OG SER A 56 81.203 6.960 3.012 1.00 0.00 O ATOM 0 H SER A 56 80.266 5.581 0.323 1.00 0.00 H new ATOM 0 HA SER A 56 81.797 8.140 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.729 5.286 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 56 83.048 6.381 2.280 1.00 0.00 H new ATOM 0 HG SER A 56 81.344 6.503 3.868 1.00 0.00 H new ATOM 767 N CYS A 57 82.515 6.301 -1.529 1.00 0.00 N ATOM 768 CA CYS A 57 83.559 5.922 -2.534 1.00 0.00 C ATOM 769 C CYS A 57 84.378 7.152 -2.943 1.00 0.00 C ATOM 770 O CYS A 57 83.862 8.248 -3.048 1.00 0.00 O ATOM 771 CB CYS A 57 82.786 5.373 -3.735 1.00 0.00 C ATOM 772 SG CYS A 57 83.864 4.300 -4.723 1.00 0.00 S ATOM 0 H CYS A 57 81.552 6.236 -1.858 1.00 0.00 H new ATOM 0 HA CYS A 57 84.261 5.190 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.915 4.813 -3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.416 6.195 -4.348 1.00 0.00 H new ATOM 777 N GLY A 58 85.649 6.965 -3.189 1.00 0.00 N ATOM 778 CA GLY A 58 86.520 8.104 -3.613 1.00 0.00 C ATOM 779 C GLY A 58 87.052 8.876 -2.397 1.00 0.00 C ATOM 780 O GLY A 58 87.663 9.918 -2.544 1.00 0.00 O ATOM 0 H GLY A 58 86.125 6.066 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.356 7.727 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.955 8.778 -4.257 1.00 0.00 H new ATOM 784 N THR A 59 86.840 8.377 -1.204 1.00 0.00 N ATOM 785 CA THR A 59 87.350 9.086 0.010 1.00 0.00 C ATOM 786 C THR A 59 88.835 8.785 0.222 1.00 0.00 C ATOM 787 O THR A 59 89.373 7.827 -0.290 1.00 0.00 O ATOM 788 CB THR A 59 86.525 8.547 1.179 1.00 0.00 C ATOM 789 OG1 THR A 59 86.539 7.129 1.146 1.00 0.00 O ATOM 790 CG2 THR A 59 85.086 9.059 1.076 1.00 0.00 C ATOM 0 H THR A 59 86.336 7.510 -1.019 1.00 0.00 H new ATOM 0 HA THR A 59 87.255 10.168 -0.087 1.00 0.00 H new ATOM 0 HB THR A 59 86.955 8.891 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 59 85.708 6.803 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 59 84.502 8.672 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 59 85.084 10.149 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 59 84.646 8.721 0.138 1.00 0.00 H new ATOM 798 N CYS A 60 89.491 9.630 0.968 1.00 0.00 N ATOM 799 CA CYS A 60 90.955 9.464 1.236 1.00 0.00 C ATOM 800 C CYS A 60 91.201 9.087 2.704 1.00 0.00 C ATOM 801 O CYS A 60 90.597 9.653 3.597 1.00 0.00 O ATOM 802 CB CYS A 60 91.534 10.854 0.955 1.00 0.00 C ATOM 803 SG CYS A 60 93.338 10.815 1.130 1.00 0.00 S ATOM 0 H CYS A 60 89.069 10.445 1.413 1.00 0.00 H new ATOM 0 HA CYS A 60 91.403 8.676 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.264 11.174 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.108 11.582 1.646 1.00 0.00 H new ATOM 808 N TRP A 61 92.089 8.156 2.969 1.00 0.00 N ATOM 809 CA TRP A 61 92.369 7.778 4.394 1.00 0.00 C ATOM 810 C TRP A 61 93.848 7.471 4.608 1.00 0.00 C ATOM 811 O TRP A 61 94.553 7.082 3.696 1.00 0.00 O ATOM 812 CB TRP A 61 91.574 6.506 4.654 1.00 0.00 C ATOM 813 CG TRP A 61 90.118 6.767 4.526 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.441 6.768 3.364 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.140 7.037 5.574 1.00 0.00 C ATOM 816 NE1 TRP A 61 88.104 6.994 3.627 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.871 7.186 4.971 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.230 7.167 6.972 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.729 7.450 5.725 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.082 7.436 7.735 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.832 7.578 7.110 1.00 0.00 C ATOM 0 H TRP A 61 92.627 7.646 2.269 1.00 0.00 H new ATOM 0 HA TRP A 61 92.097 8.597 5.060 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.874 5.732 3.948 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.795 6.130 5.653 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.872 6.617 2.385 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.377 7.016 2.912 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.187 7.059 7.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.770 7.555 5.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.161 7.534 8.808 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.952 7.786 7.701 1.00 0.00 H new ATOM 832 N LYS A 62 94.308 7.606 5.823 1.00 0.00 N ATOM 833 CA LYS A 62 95.727 7.283 6.138 1.00 0.00 C ATOM 834 C LYS A 62 95.751 6.046 7.037 1.00 0.00 C ATOM 835 O LYS A 62 95.012 5.969 8.003 1.00 0.00 O ATOM 836 CB LYS A 62 96.268 8.499 6.887 1.00 0.00 C ATOM 837 CG LYS A 62 97.778 8.348 7.074 1.00 0.00 C ATOM 838 CD LYS A 62 98.322 9.546 7.855 1.00 0.00 C ATOM 839 CE LYS A 62 99.851 9.505 7.849 1.00 0.00 C ATOM 840 NZ LYS A 62 100.267 10.377 8.985 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.755 7.929 6.617 1.00 0.00 H new ATOM 0 HA LYS A 62 96.324 7.074 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 62 96.048 9.410 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.778 8.591 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.998 7.423 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.270 8.280 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.970 10.476 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.951 9.525 8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 62 100.219 8.487 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.252 9.871 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 101.305 10.398 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.909 11.341 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.877 10.000 9.873 1.00 0.00 H new ATOM 854 N VAL A 63 96.577 5.078 6.727 1.00 0.00 N ATOM 855 CA VAL A 63 96.629 3.840 7.566 1.00 0.00 C ATOM 856 C VAL A 63 97.951 3.793 8.336 1.00 0.00 C ATOM 857 O VAL A 63 99.009 3.988 7.772 1.00 0.00 O ATOM 858 CB VAL A 63 96.532 2.677 6.573 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.576 1.347 7.328 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.214 2.772 5.800 1.00 0.00 C ATOM 0 H VAL A 63 97.216 5.091 5.932 1.00 0.00 H new ATOM 0 HA VAL A 63 95.828 3.801 8.304 1.00 0.00 H new ATOM 0 HB VAL A 63 97.371 2.730 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.507 0.523 6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.513 1.273 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.740 1.296 8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.146 1.944 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.378 2.723 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.178 3.716 5.257 1.00 0.00 H new ATOM 870 N THR A 64 97.888 3.569 9.627 1.00 0.00 N ATOM 871 CA THR A 64 99.127 3.543 10.466 1.00 0.00 C ATOM 872 C THR A 64 99.299 2.189 11.167 1.00 0.00 C ATOM 873 O THR A 64 98.335 1.585 11.608 1.00 0.00 O ATOM 874 CB THR A 64 98.895 4.637 11.510 1.00 0.00 C ATOM 875 OG1 THR A 64 98.616 5.864 10.852 1.00 0.00 O ATOM 876 CG2 THR A 64 100.146 4.795 12.377 1.00 0.00 C ATOM 0 H THR A 64 97.022 3.402 10.140 1.00 0.00 H new ATOM 0 HA THR A 64 100.025 3.698 9.867 1.00 0.00 H new ATOM 0 HB THR A 64 98.051 4.361 12.143 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.465 6.566 11.519 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.978 5.575 13.120 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.360 3.853 12.882 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.993 5.070 11.748 1.00 0.00 H new ATOM 884 N ILE A 65 100.518 1.710 11.276 1.00 0.00 N ATOM 885 CA ILE A 65 100.751 0.391 11.950 1.00 0.00 C ATOM 886 C ILE A 65 101.674 0.574 13.178 1.00 0.00 C ATOM 887 O ILE A 65 102.301 1.603 13.323 1.00 0.00 O ATOM 888 CB ILE A 65 101.401 -0.497 10.876 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.727 0.125 10.423 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.462 -0.626 9.670 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.470 -0.864 9.524 1.00 0.00 C ATOM 0 H ILE A 65 101.358 2.173 10.929 1.00 0.00 H new ATOM 0 HA ILE A 65 99.831 -0.057 12.327 1.00 0.00 H new ATOM 0 HB ILE A 65 101.588 -1.485 11.297 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.540 1.054 9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.339 0.376 11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.928 -1.256 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.521 -1.076 9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.269 0.362 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.413 -0.424 9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.669 -1.781 10.078 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.858 -1.093 8.651 1.00 0.00 H new ATOM 903 N PRO A 66 101.707 -0.428 14.043 1.00 0.00 N ATOM 904 CA PRO A 66 102.538 -0.352 15.285 1.00 0.00 C ATOM 905 C PRO A 66 104.039 -0.222 14.992 1.00 0.00 C ATOM 906 O PRO A 66 104.781 0.314 15.794 1.00 0.00 O ATOM 907 CB PRO A 66 102.239 -1.678 15.992 1.00 0.00 C ATOM 908 CG PRO A 66 101.780 -2.587 14.906 1.00 0.00 C ATOM 909 CD PRO A 66 100.998 -1.719 13.964 1.00 0.00 C ATOM 0 HA PRO A 66 102.297 0.530 15.878 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.126 -2.071 16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.472 -1.555 16.757 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.626 -3.053 14.400 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.162 -3.393 15.303 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.999 -2.119 12.950 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.956 -1.627 14.270 1.00 0.00 H new ATOM 917 N ASN A 67 104.492 -0.693 13.859 1.00 0.00 N ATOM 918 CA ASN A 67 105.950 -0.579 13.529 1.00 0.00 C ATOM 919 C ASN A 67 106.338 0.895 13.384 1.00 0.00 C ATOM 920 O ASN A 67 107.386 1.325 13.826 1.00 0.00 O ATOM 921 CB ASN A 67 106.128 -1.321 12.202 1.00 0.00 C ATOM 922 CG ASN A 67 107.616 -1.394 11.839 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.471 -1.064 12.639 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.964 -1.821 10.657 1.00 0.00 N ATOM 0 H ASN A 67 103.920 -1.150 13.149 1.00 0.00 H new ATOM 0 HA ASN A 67 106.584 -1.002 14.309 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.714 -2.326 12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.577 -0.809 11.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.951 -1.878 10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.249 -2.098 9.984 1.00 0.00 H new ATOM 931 N GLY A 68 105.477 1.664 12.776 1.00 0.00 N ATOM 932 CA GLY A 68 105.754 3.119 12.601 1.00 0.00 C ATOM 933 C GLY A 68 105.828 3.474 11.117 1.00 0.00 C ATOM 934 O GLY A 68 106.835 3.954 10.634 1.00 0.00 O ATOM 0 H GLY A 68 104.588 1.345 12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.971 3.705 13.083 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.693 3.378 13.090 1.00 0.00 H new ATOM 938 N ASN A 69 104.759 3.260 10.398 1.00 0.00 N ATOM 939 CA ASN A 69 104.741 3.602 8.947 1.00 0.00 C ATOM 940 C ASN A 69 103.295 3.718 8.473 1.00 0.00 C ATOM 941 O ASN A 69 102.404 3.116 9.048 1.00 0.00 O ATOM 942 CB ASN A 69 105.456 2.450 8.242 1.00 0.00 C ATOM 943 CG ASN A 69 105.844 2.885 6.827 1.00 0.00 C ATOM 944 OD1 ASN A 69 106.038 4.057 6.571 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.965 1.986 5.890 1.00 0.00 N ATOM 0 H ASN A 69 103.892 2.860 10.756 1.00 0.00 H new ATOM 0 HA ASN A 69 105.231 4.553 8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.345 2.161 8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.807 1.575 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.222 2.267 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 69 105.803 1.002 6.103 1.00 0.00 H new ATOM 952 N SER A 70 103.044 4.491 7.445 1.00 0.00 N ATOM 953 CA SER A 70 101.641 4.639 6.964 1.00 0.00 C ATOM 954 C SER A 70 101.574 4.950 5.466 1.00 0.00 C ATOM 955 O SER A 70 102.517 5.421 4.861 1.00 0.00 O ATOM 956 CB SER A 70 101.067 5.799 7.776 1.00 0.00 C ATOM 957 OG SER A 70 101.811 6.978 7.500 1.00 0.00 O ATOM 0 H SER A 70 103.744 5.020 6.925 1.00 0.00 H new ATOM 0 HA SER A 70 101.081 3.713 7.097 1.00 0.00 H new ATOM 0 HB2 SER A 70 100.017 5.950 7.524 1.00 0.00 H new ATOM 0 HB3 SER A 70 101.109 5.569 8.841 1.00 0.00 H new ATOM 0 HG SER A 70 102.008 7.444 8.339 1.00 0.00 H new ATOM 963 N ILE A 71 100.433 4.692 4.884 1.00 0.00 N ATOM 964 CA ILE A 71 100.208 4.957 3.430 1.00 0.00 C ATOM 965 C ILE A 71 98.799 5.523 3.254 1.00 0.00 C ATOM 966 O ILE A 71 97.980 5.414 4.150 1.00 0.00 O ATOM 967 CB ILE A 71 100.331 3.595 2.730 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.313 2.607 3.306 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.738 3.036 2.915 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.283 1.346 2.439 1.00 0.00 C ATOM 0 H ILE A 71 99.626 4.298 5.368 1.00 0.00 H new ATOM 0 HA ILE A 71 100.920 5.671 3.016 1.00 0.00 H new ATOM 0 HB ILE A 71 100.133 3.735 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.579 2.350 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.324 3.064 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.815 2.070 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.463 3.726 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.943 2.911 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.559 0.641 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.997 1.611 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.271 0.887 2.430 1.00 0.00 H new ATOM 982 N PHE A 72 98.493 6.119 2.125 1.00 0.00 N ATOM 983 CA PHE A 72 97.115 6.668 1.950 1.00 0.00 C ATOM 984 C PHE A 72 96.312 5.763 1.013 1.00 0.00 C ATOM 985 O PHE A 72 96.747 5.446 -0.073 1.00 0.00 O ATOM 986 CB PHE A 72 97.299 8.052 1.324 1.00 0.00 C ATOM 987 CG PHE A 72 97.983 8.977 2.301 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.339 9.342 3.489 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.259 9.476 2.014 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.972 10.207 4.390 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.891 10.341 2.915 1.00 0.00 C ATOM 992 CZ PHE A 72 99.248 10.707 4.102 1.00 0.00 C ATOM 0 H PHE A 72 99.124 6.246 1.334 1.00 0.00 H new ATOM 0 HA PHE A 72 96.574 6.725 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.891 7.971 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.330 8.463 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.355 8.957 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.756 9.194 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.476 10.489 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.875 10.726 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.736 11.375 4.796 1.00 0.00 H new ATOM 1002 N ILE A 73 95.152 5.336 1.438 1.00 0.00 N ATOM 1003 CA ILE A 73 94.316 4.439 0.581 1.00 0.00 C ATOM 1004 C ILE A 73 93.011 5.139 0.203 1.00 0.00 C ATOM 1005 O ILE A 73 92.319 5.661 1.060 1.00 0.00 O ATOM 1006 CB ILE A 73 94.039 3.203 1.449 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.366 2.529 1.843 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.167 2.206 0.677 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.132 2.088 0.588 1.00 0.00 C ATOM 0 H ILE A 73 94.745 5.569 2.344 1.00 0.00 H new ATOM 0 HA ILE A 73 94.814 4.174 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 73 93.514 3.517 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.975 3.221 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.169 1.666 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 73 92.975 1.332 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.221 2.678 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.684 1.898 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.068 1.613 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.527 1.379 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.346 2.958 -0.033 1.00 0.00 H new ATOM 1021 N ARG A 74 92.661 5.153 -1.061 1.00 0.00 N ATOM 1022 CA ARG A 74 91.392 5.815 -1.464 1.00 0.00 C ATOM 1023 C ARG A 74 90.327 4.738 -1.672 1.00 0.00 C ATOM 1024 O ARG A 74 90.592 3.688 -2.227 1.00 0.00 O ATOM 1025 CB ARG A 74 91.715 6.567 -2.757 1.00 0.00 C ATOM 1026 CG ARG A 74 90.548 7.483 -3.126 1.00 0.00 C ATOM 1027 CD ARG A 74 90.879 8.232 -4.419 1.00 0.00 C ATOM 1028 NE ARG A 74 89.761 9.200 -4.598 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.943 10.288 -5.296 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.895 11.121 -4.970 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.173 10.545 -6.316 1.00 0.00 N ATOM 0 H ARG A 74 93.198 4.737 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 74 91.005 6.508 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.625 7.154 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.903 5.859 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.638 6.897 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.359 8.192 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.838 8.745 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.949 7.548 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 74 88.852 9.012 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.496 10.921 -4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.038 11.971 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.428 9.896 -6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.316 11.395 -6.861 1.00 0.00 H new ATOM 1045 N GLY A 75 89.136 4.980 -1.193 1.00 0.00 N ATOM 1046 CA GLY A 75 88.052 3.963 -1.314 1.00 0.00 C ATOM 1047 C GLY A 75 87.774 3.633 -2.779 1.00 0.00 C ATOM 1048 O GLY A 75 87.932 4.456 -3.660 1.00 0.00 O ATOM 0 H GLY A 75 88.866 5.843 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.338 3.056 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.143 4.337 -0.843 1.00 0.00 H new ATOM 1052 N VAL A 76 87.354 2.421 -3.035 1.00 0.00 N ATOM 1053 CA VAL A 76 87.048 1.987 -4.432 1.00 0.00 C ATOM 1054 C VAL A 76 86.284 0.642 -4.430 1.00 0.00 C ATOM 1055 O VAL A 76 85.406 0.435 -5.246 1.00 0.00 O ATOM 1056 CB VAL A 76 88.416 1.865 -5.129 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.334 0.911 -4.359 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.220 1.348 -6.561 1.00 0.00 C ATOM 0 H VAL A 76 87.208 1.703 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 76 86.403 2.695 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 76 88.882 2.850 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.295 0.840 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.487 1.290 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.875 -0.076 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.189 1.262 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.740 0.370 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.592 2.044 -7.116 1.00 0.00 H new ATOM 1068 N ASP A 77 86.584 -0.262 -3.519 1.00 0.00 N ATOM 1069 CA ASP A 77 85.859 -1.583 -3.469 1.00 0.00 C ATOM 1070 C ASP A 77 85.379 -1.833 -2.036 1.00 0.00 C ATOM 1071 O ASP A 77 85.683 -1.079 -1.140 1.00 0.00 O ATOM 1072 CB ASP A 77 86.855 -2.706 -3.865 1.00 0.00 C ATOM 1073 CG ASP A 77 88.071 -2.175 -4.640 1.00 0.00 C ATOM 1074 OD1 ASP A 77 87.943 -1.952 -5.829 1.00 0.00 O ATOM 1075 OD2 ASP A 77 89.113 -2.023 -4.025 1.00 0.00 O1- ATOM 0 H ASP A 77 87.302 -0.142 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 77 85.008 -1.572 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.198 -3.216 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.337 -3.447 -4.474 1.00 0.00 H new ATOM 1080 N SER A 78 84.629 -2.885 -1.817 1.00 0.00 N ATOM 1081 CA SER A 78 84.129 -3.185 -0.439 1.00 0.00 C ATOM 1082 C SER A 78 85.010 -4.242 0.234 1.00 0.00 C ATOM 1083 O SER A 78 85.483 -5.165 -0.402 1.00 0.00 O ATOM 1084 CB SER A 78 82.703 -3.707 -0.634 1.00 0.00 C ATOM 1085 OG SER A 78 82.175 -4.109 0.623 1.00 0.00 O ATOM 0 H SER A 78 84.341 -3.550 -2.535 1.00 0.00 H new ATOM 0 HA SER A 78 84.152 -2.306 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.076 -2.931 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.703 -4.548 -1.327 1.00 0.00 H new ATOM 0 HG SER A 78 81.595 -3.402 0.975 1.00 0.00 H new ATOM 1091 N GLY A 79 85.230 -4.109 1.521 1.00 0.00 N ATOM 1092 CA GLY A 79 86.078 -5.099 2.248 1.00 0.00 C ATOM 1093 C GLY A 79 85.197 -5.970 3.142 1.00 0.00 C ATOM 1094 O GLY A 79 84.259 -5.499 3.757 1.00 0.00 O ATOM 0 H GLY A 79 84.857 -3.355 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 79 86.619 -5.722 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.825 -4.581 2.850 1.00 0.00 H new ATOM 1098 N ARG A 80 85.492 -7.239 3.207 1.00 0.00 N ATOM 1099 CA ARG A 80 84.680 -8.169 4.050 1.00 0.00 C ATOM 1100 C ARG A 80 85.108 -8.114 5.527 1.00 0.00 C ATOM 1101 O ARG A 80 85.465 -9.117 6.116 1.00 0.00 O ATOM 1102 CB ARG A 80 84.920 -9.566 3.448 1.00 0.00 C ATOM 1103 CG ARG A 80 86.380 -10.009 3.636 1.00 0.00 C ATOM 1104 CD ARG A 80 86.697 -11.140 2.652 1.00 0.00 C ATOM 1105 NE ARG A 80 85.758 -12.241 3.008 1.00 0.00 N ATOM 1106 CZ ARG A 80 86.136 -13.183 3.828 1.00 0.00 C ATOM 1107 NH1 ARG A 80 87.218 -13.869 3.579 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 85.432 -13.440 4.896 1.00 0.00 N ATOM 0 H ARG A 80 86.267 -7.677 2.709 1.00 0.00 H new ATOM 0 HA ARG A 80 83.624 -7.900 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 80 84.254 -10.288 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 80 84.675 -9.554 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 80 87.052 -9.167 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 80 86.541 -10.347 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 80 86.553 -10.817 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 80 87.734 -11.462 2.743 1.00 0.00 H new ATOM 0 HE ARG A 80 84.819 -12.258 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 80 87.768 -13.669 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 80 87.514 -14.605 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 80 84.586 -12.905 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 80 85.728 -14.176 5.537 1.00 0.00 H new ATOM 1122 N GLY A 81 85.046 -6.954 6.133 1.00 0.00 N ATOM 1123 CA GLY A 81 85.420 -6.836 7.576 1.00 0.00 C ATOM 1124 C GLY A 81 86.912 -6.526 7.719 1.00 0.00 C ATOM 1125 O GLY A 81 87.642 -7.259 8.360 1.00 0.00 O ATOM 0 H GLY A 81 84.752 -6.083 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.832 -6.048 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.184 -7.764 8.096 1.00 0.00 H new ATOM 1129 N GLY A 82 87.367 -5.444 7.140 1.00 0.00 N ATOM 1130 CA GLY A 82 88.811 -5.090 7.261 1.00 0.00 C ATOM 1131 C GLY A 82 89.320 -4.478 5.957 1.00 0.00 C ATOM 1132 O GLY A 82 88.835 -4.778 4.883 1.00 0.00 O ATOM 0 H GLY A 82 86.803 -4.794 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.952 -4.385 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.391 -5.980 7.503 1.00 0.00 H new ATOM 1136 N PHE A 83 90.302 -3.625 6.055 1.00 0.00 N ATOM 1137 CA PHE A 83 90.878 -2.976 4.839 1.00 0.00 C ATOM 1138 C PHE A 83 91.731 -3.964 4.044 1.00 0.00 C ATOM 1139 O PHE A 83 92.410 -4.802 4.602 1.00 0.00 O ATOM 1140 CB PHE A 83 91.764 -1.848 5.373 1.00 0.00 C ATOM 1141 CG PHE A 83 90.903 -0.761 5.961 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.454 0.277 5.146 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.558 -0.784 7.319 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.660 1.292 5.679 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.759 0.237 7.855 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.311 1.276 7.030 1.00 0.00 C ATOM 0 H PHE A 83 90.736 -3.346 6.935 1.00 0.00 H new ATOM 0 HA PHE A 83 90.096 -2.618 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.445 -2.235 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.378 -1.443 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.722 0.295 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.907 -1.587 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.314 2.094 5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.490 0.222 8.901 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.696 2.064 7.439 1.00 0.00 H new ATOM 1156 N ASN A 84 91.719 -3.849 2.739 1.00 0.00 N ATOM 1157 CA ASN A 84 92.553 -4.754 1.900 1.00 0.00 C ATOM 1158 C ASN A 84 93.167 -3.931 0.762 1.00 0.00 C ATOM 1159 O ASN A 84 92.464 -3.183 0.113 1.00 0.00 O ATOM 1160 CB ASN A 84 91.589 -5.808 1.355 1.00 0.00 C ATOM 1161 CG ASN A 84 92.382 -6.921 0.669 1.00 0.00 C ATOM 1162 OD1 ASN A 84 92.904 -6.732 -0.412 1.00 0.00 O ATOM 1163 ND2 ASN A 84 92.490 -8.083 1.252 1.00 0.00 N ATOM 0 H ASN A 84 91.166 -3.166 2.221 1.00 0.00 H new ATOM 0 HA ASN A 84 93.367 -5.223 2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.989 -6.221 2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.897 -5.351 0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 84 93.013 -8.833 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.052 -8.241 2.159 1.00 0.00 H new ATOM 1170 N VAL A 85 94.454 -4.025 0.526 1.00 0.00 N ATOM 1171 CA VAL A 85 95.062 -3.192 -0.564 1.00 0.00 C ATOM 1172 C VAL A 85 95.967 -4.012 -1.480 1.00 0.00 C ATOM 1173 O VAL A 85 96.251 -5.164 -1.227 1.00 0.00 O ATOM 1174 CB VAL A 85 95.873 -2.111 0.161 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.939 -1.268 1.032 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.940 -2.765 1.047 1.00 0.00 C ATOM 0 H VAL A 85 95.101 -4.631 1.030 1.00 0.00 H new ATOM 0 HA VAL A 85 94.290 -2.774 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 85 96.359 -1.474 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.516 -0.500 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.184 -0.795 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.450 -1.908 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.512 -1.991 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.457 -3.407 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.610 -3.363 0.429 1.00 0.00 H new ATOM 1186 N ASN A 86 96.429 -3.417 -2.553 1.00 0.00 N ATOM 1187 CA ASN A 86 97.326 -4.162 -3.494 1.00 0.00 C ATOM 1188 C ASN A 86 98.530 -4.733 -2.725 1.00 0.00 C ATOM 1189 O ASN A 86 98.943 -4.165 -1.732 1.00 0.00 O ATOM 1190 CB ASN A 86 97.806 -3.115 -4.505 1.00 0.00 C ATOM 1191 CG ASN A 86 96.645 -2.674 -5.400 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.508 -3.045 -5.178 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.887 -1.886 -6.411 1.00 0.00 N ATOM 0 H ASN A 86 96.226 -2.453 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 86 96.814 -4.995 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.218 -2.253 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.608 -3.529 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.123 -1.581 -7.015 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.840 -1.574 -6.598 1.00 0.00 H new ATOM 1200 N PRO A 87 99.060 -5.836 -3.197 1.00 0.00 N ATOM 1201 CA PRO A 87 100.224 -6.456 -2.518 1.00 0.00 C ATOM 1202 C PRO A 87 101.434 -5.522 -2.561 1.00 0.00 C ATOM 1203 O PRO A 87 102.345 -5.671 -1.775 1.00 0.00 O ATOM 1204 CB PRO A 87 100.465 -7.744 -3.304 1.00 0.00 C ATOM 1205 CG PRO A 87 99.856 -7.485 -4.643 1.00 0.00 C ATOM 1206 CD PRO A 87 98.663 -6.601 -4.391 1.00 0.00 C ATOM 0 HA PRO A 87 100.050 -6.653 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.529 -7.964 -3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.000 -8.600 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.569 -6.998 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.557 -8.417 -5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.459 -5.947 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.759 -7.184 -4.214 1.00 0.00 H new ATOM 1214 N THR A 88 101.451 -4.545 -3.435 1.00 0.00 N ATOM 1215 CA THR A 88 102.607 -3.599 -3.470 1.00 0.00 C ATOM 1216 C THR A 88 102.460 -2.574 -2.339 1.00 0.00 C ATOM 1217 O THR A 88 103.425 -2.225 -1.684 1.00 0.00 O ATOM 1218 CB THR A 88 102.543 -2.927 -4.834 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.609 -3.916 -5.852 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.708 -1.949 -4.988 1.00 0.00 C ATOM 0 H THR A 88 100.719 -4.363 -4.121 1.00 0.00 H new ATOM 0 HA THR A 88 103.565 -4.100 -3.328 1.00 0.00 H new ATOM 0 HB THR A 88 101.605 -2.378 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.566 -3.484 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.656 -1.472 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.650 -1.188 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.651 -2.489 -4.898 1.00 0.00 H new ATOM 1228 N ALA A 89 101.262 -2.106 -2.095 1.00 0.00 N ATOM 1229 CA ALA A 89 101.052 -1.119 -0.993 1.00 0.00 C ATOM 1230 C ALA A 89 101.284 -1.811 0.349 1.00 0.00 C ATOM 1231 O ALA A 89 101.859 -1.246 1.260 1.00 0.00 O ATOM 1232 CB ALA A 89 99.595 -0.652 -1.124 1.00 0.00 C ATOM 0 H ALA A 89 100.421 -2.365 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 89 101.738 -0.274 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.375 0.076 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.447 -0.192 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.928 -1.508 -1.021 1.00 0.00 H new ATOM 1238 N PHE A 90 100.846 -3.033 0.467 1.00 0.00 N ATOM 1239 CA PHE A 90 101.043 -3.786 1.748 1.00 0.00 C ATOM 1240 C PHE A 90 102.535 -3.920 2.074 1.00 0.00 C ATOM 1241 O PHE A 90 102.960 -3.648 3.181 1.00 0.00 O ATOM 1242 CB PHE A 90 100.434 -5.168 1.499 1.00 0.00 C ATOM 1243 CG PHE A 90 100.480 -5.974 2.776 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.593 -6.772 3.064 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.407 -5.920 3.674 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.633 -7.517 4.249 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.447 -6.664 4.859 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.560 -7.462 5.146 1.00 0.00 C ATOM 0 H PHE A 90 100.359 -3.548 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 90 100.578 -3.275 2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.404 -5.067 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.983 -5.683 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.421 -6.813 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.548 -5.304 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.491 -8.134 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.619 -6.622 5.551 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.591 -8.036 6.060 1.00 0.00 H new ATOM 1258 N THR A 91 103.326 -4.359 1.129 1.00 0.00 N ATOM 1259 CA THR A 91 104.790 -4.543 1.391 1.00 0.00 C ATOM 1260 C THR A 91 105.436 -3.217 1.792 1.00 0.00 C ATOM 1261 O THR A 91 106.323 -3.171 2.615 1.00 0.00 O ATOM 1262 CB THR A 91 105.383 -5.034 0.067 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.725 -6.222 -0.329 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.872 -5.330 0.251 1.00 0.00 C ATOM 0 H THR A 91 103.023 -4.599 0.185 1.00 0.00 H new ATOM 0 HA THR A 91 104.965 -5.245 2.206 1.00 0.00 H new ATOM 0 HB THR A 91 105.252 -4.265 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.935 -5.996 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.293 -5.679 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.387 -4.422 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 91 106.999 -6.100 1.012 1.00 0.00 H new ATOM 1272 N LYS A 92 105.007 -2.146 1.188 1.00 0.00 N ATOM 1273 CA LYS A 92 105.607 -0.819 1.519 1.00 0.00 C ATOM 1274 C LYS A 92 105.207 -0.371 2.925 1.00 0.00 C ATOM 1275 O LYS A 92 106.005 0.188 3.654 1.00 0.00 O ATOM 1276 CB LYS A 92 105.053 0.148 0.479 1.00 0.00 C ATOM 1277 CG LYS A 92 105.662 -0.166 -0.887 1.00 0.00 C ATOM 1278 CD LYS A 92 105.108 0.805 -1.931 1.00 0.00 C ATOM 1279 CE LYS A 92 105.719 0.487 -3.297 1.00 0.00 C ATOM 1280 NZ LYS A 92 105.078 1.446 -4.238 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.271 -2.128 0.482 1.00 0.00 H new ATOM 0 HA LYS A 92 106.696 -0.860 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.967 0.065 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.282 1.175 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.748 -0.084 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.432 -1.193 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.022 0.724 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.339 1.832 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.802 0.611 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.520 -0.544 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.447 1.290 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 104.048 1.300 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 105.290 2.419 -3.940 1.00 0.00 H new ATOM 1294 N LEU A 93 103.977 -0.599 3.304 1.00 0.00 N ATOM 1295 CA LEU A 93 103.522 -0.171 4.662 1.00 0.00 C ATOM 1296 C LEU A 93 104.170 -1.019 5.763 1.00 0.00 C ATOM 1297 O LEU A 93 104.582 -0.501 6.785 1.00 0.00 O ATOM 1298 CB LEU A 93 102.001 -0.359 4.648 1.00 0.00 C ATOM 1299 CG LEU A 93 101.402 -0.011 6.017 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.533 1.490 6.279 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.923 -0.402 6.039 1.00 0.00 C ATOM 0 H LEU A 93 103.269 -1.062 2.734 1.00 0.00 H new ATOM 0 HA LEU A 93 103.806 0.859 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.558 0.274 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.759 -1.390 4.390 1.00 0.00 H new ATOM 0 HG LEU A 93 101.940 -0.558 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.105 1.728 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.586 1.771 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.001 2.042 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.496 -0.155 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.391 0.144 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.827 -1.473 5.862 1.00 0.00 H new ATOM 1313 N VAL A 94 104.224 -2.314 5.588 1.00 0.00 N ATOM 1314 CA VAL A 94 104.806 -3.191 6.659 1.00 0.00 C ATOM 1315 C VAL A 94 106.276 -3.514 6.384 1.00 0.00 C ATOM 1316 O VAL A 94 107.092 -3.541 7.287 1.00 0.00 O ATOM 1317 CB VAL A 94 103.952 -4.465 6.631 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.454 -5.451 7.692 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.490 -4.114 6.927 1.00 0.00 C ATOM 0 H VAL A 94 103.894 -2.804 4.757 1.00 0.00 H new ATOM 0 HA VAL A 94 104.788 -2.702 7.633 1.00 0.00 H new ATOM 0 HB VAL A 94 104.028 -4.920 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.844 -6.354 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.493 -5.709 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.383 -4.992 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.887 -5.021 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.419 -3.653 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.123 -3.417 6.173 1.00 0.00 H new ATOM 1329 N GLY A 95 106.616 -3.760 5.151 1.00 0.00 N ATOM 1330 CA GLY A 95 108.029 -4.085 4.804 1.00 0.00 C ATOM 1331 C GLY A 95 108.083 -5.424 4.067 1.00 0.00 C ATOM 1332 O GLY A 95 108.953 -5.652 3.247 1.00 0.00 O ATOM 0 H GLY A 95 105.971 -3.750 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.451 -3.298 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.634 -4.132 5.709 1.00 0.00 H new ATOM 1336 N SER A 96 107.160 -6.309 4.348 1.00 0.00 N ATOM 1337 CA SER A 96 107.156 -7.634 3.658 1.00 0.00 C ATOM 1338 C SER A 96 105.734 -8.200 3.594 1.00 0.00 C ATOM 1339 O SER A 96 104.865 -7.798 4.344 1.00 0.00 O ATOM 1340 CB SER A 96 108.053 -8.531 4.510 1.00 0.00 C ATOM 1341 OG SER A 96 107.409 -8.797 5.749 1.00 0.00 O ATOM 0 H SER A 96 106.410 -6.171 5.025 1.00 0.00 H new ATOM 0 HA SER A 96 107.512 -7.561 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.257 -9.464 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.014 -8.046 4.683 1.00 0.00 H new ATOM 0 HG SER A 96 107.981 -9.374 6.298 1.00 0.00 H new ATOM 1347 N THR A 97 105.495 -9.135 2.706 1.00 0.00 N ATOM 1348 CA THR A 97 104.128 -9.735 2.598 1.00 0.00 C ATOM 1349 C THR A 97 104.029 -11.024 3.429 1.00 0.00 C ATOM 1350 O THR A 97 103.052 -11.744 3.353 1.00 0.00 O ATOM 1351 CB THR A 97 103.935 -10.055 1.111 1.00 0.00 C ATOM 1352 OG1 THR A 97 104.912 -11.002 0.704 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.084 -8.782 0.281 1.00 0.00 C ATOM 0 H THR A 97 106.185 -9.507 2.054 1.00 0.00 H new ATOM 0 HA THR A 97 103.366 -9.053 2.974 1.00 0.00 H new ATOM 0 HB THR A 97 102.937 -10.466 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.790 -11.210 -0.246 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.946 -9.017 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.334 -8.055 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.079 -8.364 0.432 1.00 0.00 H new ATOM 1361 N GLU A 98 105.034 -11.319 4.212 1.00 0.00 N ATOM 1362 CA GLU A 98 105.012 -12.563 5.043 1.00 0.00 C ATOM 1363 C GLU A 98 103.965 -12.452 6.155 1.00 0.00 C ATOM 1364 O GLU A 98 103.323 -13.422 6.511 1.00 0.00 O ATOM 1365 CB GLU A 98 106.416 -12.673 5.641 1.00 0.00 C ATOM 1366 CG GLU A 98 107.425 -13.009 4.540 1.00 0.00 C ATOM 1367 CD GLU A 98 107.089 -14.369 3.919 1.00 0.00 C ATOM 1368 OE1 GLU A 98 106.777 -15.280 4.668 1.00 0.00 O ATOM 1369 OE2 GLU A 98 107.147 -14.475 2.705 1.00 0.00 O1- ATOM 0 H GLU A 98 105.874 -10.750 4.313 1.00 0.00 H new ATOM 0 HA GLU A 98 104.750 -13.440 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.690 -11.735 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.434 -13.445 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.409 -12.235 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 98 108.434 -13.028 4.953 1.00 0.00 H new ATOM 1376 N ALA A 99 103.796 -11.279 6.709 1.00 0.00 N ATOM 1377 CA ALA A 99 102.798 -11.100 7.810 1.00 0.00 C ATOM 1378 C ALA A 99 101.395 -11.461 7.318 1.00 0.00 C ATOM 1379 O ALA A 99 100.616 -12.065 8.030 1.00 0.00 O ATOM 1380 CB ALA A 99 102.864 -9.616 8.178 1.00 0.00 C ATOM 0 H ALA A 99 104.306 -10.435 6.447 1.00 0.00 H new ATOM 0 HA ALA A 99 103.015 -11.742 8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.157 -9.409 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.872 -9.368 8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.609 -9.013 7.306 1.00 0.00 H new ATOM 1386 N GLY A 100 101.072 -11.090 6.108 1.00 0.00 N ATOM 1387 CA GLY A 100 99.721 -11.401 5.561 1.00 0.00 C ATOM 1388 C GLY A 100 98.764 -10.270 5.931 1.00 0.00 C ATOM 1389 O GLY A 100 98.249 -9.577 5.073 1.00 0.00 O ATOM 0 H GLY A 100 101.689 -10.583 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.770 -11.514 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.360 -12.347 5.964 1.00 0.00 H new ATOM 1393 N ARG A 101 98.530 -10.075 7.204 1.00 0.00 N ATOM 1394 CA ARG A 101 97.614 -8.985 7.640 1.00 0.00 C ATOM 1395 C ARG A 101 98.011 -8.464 9.026 1.00 0.00 C ATOM 1396 O ARG A 101 98.653 -9.155 9.794 1.00 0.00 O ATOM 1397 CB ARG A 101 96.228 -9.625 7.680 1.00 0.00 C ATOM 1398 CG ARG A 101 96.209 -10.785 8.679 1.00 0.00 C ATOM 1399 CD ARG A 101 94.854 -11.483 8.599 1.00 0.00 C ATOM 1400 NE ARG A 101 95.005 -12.726 9.407 1.00 0.00 N ATOM 1401 CZ ARG A 101 93.978 -13.216 10.047 1.00 0.00 C ATOM 1402 NH1 ARG A 101 93.259 -12.444 10.814 1.00 0.00 N ATOM 1403 NH2 ARG A 101 93.671 -14.478 9.920 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.936 -10.627 7.960 1.00 0.00 H new ATOM 0 HA ARG A 101 97.649 -8.128 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.484 -8.880 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.957 -9.986 6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.010 -11.489 8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.384 -10.415 9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.061 -10.849 8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.591 -11.714 7.567 1.00 0.00 H new ATOM 0 HE ARG A 101 95.910 -13.194 9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 101 93.499 -11.458 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 101 92.457 -12.827 11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 101 94.234 -15.082 9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 101 92.869 -14.861 10.420 1.00 0.00 H new ATOM 1417 N VAL A 102 97.622 -7.257 9.352 1.00 0.00 N ATOM 1418 CA VAL A 102 97.966 -6.697 10.695 1.00 0.00 C ATOM 1419 C VAL A 102 96.703 -6.169 11.389 1.00 0.00 C ATOM 1420 O VAL A 102 96.003 -5.327 10.862 1.00 0.00 O ATOM 1421 CB VAL A 102 98.952 -5.557 10.416 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.378 -4.904 11.734 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.190 -6.115 9.707 1.00 0.00 C ATOM 0 H VAL A 102 97.083 -6.637 8.748 1.00 0.00 H new ATOM 0 HA VAL A 102 98.398 -7.448 11.356 1.00 0.00 H new ATOM 0 HB VAL A 102 98.468 -4.813 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.079 -4.095 11.529 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.501 -4.504 12.242 1.00 0.00 H new ATOM 0 HG13 VAL A 102 99.858 -5.648 12.370 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.892 -5.305 9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.668 -6.861 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.893 -6.577 8.765 1.00 0.00 H new ATOM 1433 N ASP A 103 96.403 -6.677 12.557 1.00 0.00 N ATOM 1434 CA ASP A 103 95.177 -6.227 13.288 1.00 0.00 C ATOM 1435 C ASP A 103 95.444 -4.931 14.060 1.00 0.00 C ATOM 1436 O ASP A 103 96.571 -4.503 14.209 1.00 0.00 O ATOM 1437 CB ASP A 103 94.855 -7.367 14.258 1.00 0.00 C ATOM 1438 CG ASP A 103 94.434 -8.623 13.485 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.056 -8.497 12.333 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 94.503 -9.696 14.063 1.00 0.00 O ATOM 0 H ASP A 103 96.955 -7.386 13.039 1.00 0.00 H new ATOM 0 HA ASP A 103 94.353 -6.017 12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.727 -7.586 14.874 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.056 -7.063 14.934 1.00 0.00 H new ATOM 1445 N ASN A 104 94.400 -4.312 14.563 1.00 0.00 N ATOM 1446 CA ASN A 104 94.554 -3.042 15.350 1.00 0.00 C ATOM 1447 C ASN A 104 95.207 -1.941 14.508 1.00 0.00 C ATOM 1448 O ASN A 104 96.071 -1.220 14.970 1.00 0.00 O ATOM 1449 CB ASN A 104 95.431 -3.393 16.559 1.00 0.00 C ATOM 1450 CG ASN A 104 95.408 -2.244 17.572 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.584 -1.354 17.487 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.286 -2.226 18.537 1.00 0.00 N ATOM 0 H ASN A 104 93.438 -4.635 14.461 1.00 0.00 H new ATOM 0 HA ASN A 104 93.583 -2.656 15.660 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.070 -4.309 17.027 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.454 -3.582 16.234 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.280 -1.467 19.218 1.00 0.00 H new ATOM 0 HD22 ASN A 104 96.978 -2.971 18.611 1.00 0.00 H new ATOM 1459 N VAL A 105 94.784 -1.813 13.281 1.00 0.00 N ATOM 1460 CA VAL A 105 95.364 -0.757 12.395 1.00 0.00 C ATOM 1461 C VAL A 105 94.602 0.558 12.581 1.00 0.00 C ATOM 1462 O VAL A 105 93.387 0.588 12.525 1.00 0.00 O ATOM 1463 CB VAL A 105 95.206 -1.273 10.965 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.774 -0.250 9.974 1.00 0.00 C ATOM 1465 CG2 VAL A 105 95.961 -2.597 10.814 1.00 0.00 C ATOM 0 H VAL A 105 94.063 -2.392 12.851 1.00 0.00 H new ATOM 0 HA VAL A 105 96.410 -0.561 12.630 1.00 0.00 H new ATOM 0 HB VAL A 105 94.147 -1.427 10.756 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.658 -0.625 8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.237 0.693 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.832 -0.090 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.849 -2.966 9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.018 -2.440 11.029 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.554 -3.329 11.511 1.00 0.00 H new ATOM 1475 N ASN A 106 95.308 1.643 12.799 1.00 0.00 N ATOM 1476 CA ASN A 106 94.610 2.950 12.983 1.00 0.00 C ATOM 1477 C ASN A 106 94.377 3.610 11.621 1.00 0.00 C ATOM 1478 O ASN A 106 95.214 3.569 10.741 1.00 0.00 O ATOM 1479 CB ASN A 106 95.517 3.796 13.874 1.00 0.00 C ATOM 1480 CG ASN A 106 94.780 5.067 14.299 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.672 5.004 14.796 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.351 6.228 14.123 1.00 0.00 N ATOM 0 H ASN A 106 96.326 1.678 12.857 1.00 0.00 H new ATOM 0 HA ASN A 106 93.630 2.832 13.446 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.814 3.225 14.754 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.430 4.055 13.338 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.868 7.082 14.402 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.280 6.281 13.706 1.00 0.00 H new ATOM 1489 N TYR A 107 93.225 4.197 11.450 1.00 0.00 N ATOM 1490 CA TYR A 107 92.880 4.852 10.152 1.00 0.00 C ATOM 1491 C TYR A 107 92.135 6.173 10.379 1.00 0.00 C ATOM 1492 O TYR A 107 91.344 6.296 11.295 1.00 0.00 O ATOM 1493 CB TYR A 107 91.958 3.848 9.444 1.00 0.00 C ATOM 1494 CG TYR A 107 90.763 3.523 10.312 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.828 2.455 11.214 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.593 4.287 10.215 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.726 2.149 12.019 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.490 3.982 11.021 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.556 2.912 11.923 1.00 0.00 C ATOM 1500 OH TYR A 107 87.468 2.611 12.718 1.00 0.00 O ATOM 0 H TYR A 107 92.497 4.253 12.162 1.00 0.00 H new ATOM 0 HA TYR A 107 93.771 5.092 9.573 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.622 4.262 8.493 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.510 2.935 9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.730 1.866 11.289 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.542 5.111 9.519 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.778 1.324 12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.588 4.572 10.948 1.00 0.00 H new ATOM 0 HH TYR A 107 86.740 3.238 12.527 1.00 0.00 H new ATOM 1510 N VAL A 108 92.376 7.155 9.545 1.00 0.00 N ATOM 1511 CA VAL A 108 91.672 8.469 9.706 1.00 0.00 C ATOM 1512 C VAL A 108 91.379 9.099 8.339 1.00 0.00 C ATOM 1513 O VAL A 108 92.173 9.005 7.421 1.00 0.00 O ATOM 1514 CB VAL A 108 92.626 9.352 10.518 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.872 8.715 11.887 1.00 0.00 C ATOM 1516 CG2 VAL A 108 93.962 9.503 9.780 1.00 0.00 C ATOM 0 H VAL A 108 93.027 7.106 8.762 1.00 0.00 H new ATOM 0 HA VAL A 108 90.711 8.351 10.206 1.00 0.00 H new ATOM 0 HB VAL A 108 92.175 10.336 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.551 9.343 12.464 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.926 8.619 12.419 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.316 7.728 11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.632 10.132 10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.414 8.521 9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.790 9.963 8.807 1.00 0.00 H new ATOM 1526 N GLN A 109 90.247 9.748 8.205 1.00 0.00 N ATOM 1527 CA GLN A 109 89.899 10.397 6.903 1.00 0.00 C ATOM 1528 C GLN A 109 90.704 11.680 6.728 1.00 0.00 C ATOM 1529 O GLN A 109 90.807 12.485 7.636 1.00 0.00 O ATOM 1530 CB GLN A 109 88.411 10.732 6.996 1.00 0.00 C ATOM 1531 CG GLN A 109 87.924 11.272 5.651 1.00 0.00 C ATOM 1532 CD GLN A 109 86.432 11.605 5.739 1.00 0.00 C ATOM 1533 OE1 GLN A 109 85.902 11.806 6.814 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.726 11.671 4.642 1.00 0.00 N ATOM 0 H GLN A 109 89.550 9.856 8.941 1.00 0.00 H new ATOM 0 HA GLN A 109 90.120 9.747 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.844 9.842 7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.242 11.471 7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.490 12.163 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.096 10.534 4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.170 11.503 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.731 11.891 4.688 1.00 0.00 H new ATOM 1543 N VAL A 110 91.268 11.883 5.567 1.00 0.00 N ATOM 1544 CA VAL A 110 92.060 13.121 5.331 1.00 0.00 C ATOM 1545 C VAL A 110 91.633 13.781 4.014 1.00 0.00 C ATOM 1546 O VAL A 110 90.846 13.236 3.263 1.00 0.00 O ATOM 1547 CB VAL A 110 93.523 12.672 5.281 1.00 0.00 C ATOM 1548 CG1 VAL A 110 93.913 12.069 6.634 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.716 11.625 4.173 1.00 0.00 C ATOM 0 H VAL A 110 91.213 11.244 4.774 1.00 0.00 H new ATOM 0 HA VAL A 110 91.905 13.863 6.114 1.00 0.00 H new ATOM 0 HB VAL A 110 94.156 13.533 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.954 11.748 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.788 12.818 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.275 11.211 6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.760 11.312 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.083 10.761 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.442 12.058 3.211 1.00 0.00 H new ATOM 1559 N ASP A 111 92.136 14.957 3.741 1.00 0.00 N ATOM 1560 CA ASP A 111 91.753 15.676 2.482 1.00 0.00 C ATOM 1561 C ASP A 111 92.131 14.853 1.242 1.00 0.00 C ATOM 1562 O ASP A 111 93.125 14.155 1.226 1.00 0.00 O ATOM 1563 CB ASP A 111 92.548 16.982 2.513 1.00 0.00 C ATOM 1564 CG ASP A 111 92.003 17.895 3.618 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.826 17.791 3.925 1.00 0.00 O ATOM 1566 OD2 ASP A 111 92.777 18.681 4.139 1.00 0.00 O1- ATOM 0 H ASP A 111 92.798 15.455 4.336 1.00 0.00 H new ATOM 0 HA ASP A 111 90.678 15.846 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.603 16.772 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.480 17.483 1.548 1.00 0.00 H new ATOM 1571 N LEU A 112 91.337 14.942 0.203 1.00 0.00 N ATOM 1572 CA LEU A 112 91.629 14.181 -1.057 1.00 0.00 C ATOM 1573 C LEU A 112 92.975 14.606 -1.649 1.00 0.00 C ATOM 1574 O LEU A 112 93.696 13.802 -2.208 1.00 0.00 O ATOM 1575 CB LEU A 112 90.502 14.551 -2.024 1.00 0.00 C ATOM 1576 CG LEU A 112 90.689 13.794 -3.346 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.335 13.562 -4.015 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.576 14.614 -4.283 1.00 0.00 C ATOM 0 H LEU A 112 90.492 15.513 0.172 1.00 0.00 H new ATOM 0 HA LEU A 112 91.683 13.109 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.536 14.303 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.503 15.626 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 112 91.158 12.832 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.480 13.024 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.698 12.974 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.860 14.522 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.709 14.076 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.105 15.577 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.548 14.774 -3.816 1.00 0.00 H new ATOM 1590 N SER A 113 93.299 15.872 -1.563 1.00 0.00 N ATOM 1591 CA SER A 113 94.585 16.366 -2.155 1.00 0.00 C ATOM 1592 C SER A 113 95.765 15.571 -1.594 1.00 0.00 C ATOM 1593 O SER A 113 96.685 15.233 -2.306 1.00 0.00 O ATOM 1594 CB SER A 113 94.682 17.832 -1.740 1.00 0.00 C ATOM 1595 OG SER A 113 93.599 18.555 -2.312 1.00 0.00 O ATOM 0 H SER A 113 92.730 16.587 -1.109 1.00 0.00 H new ATOM 0 HA SER A 113 94.609 16.250 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.657 17.917 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.631 18.254 -2.071 1.00 0.00 H new ATOM 0 HG SER A 113 93.657 19.496 -2.046 1.00 0.00 H new ATOM 1601 N ASN A 114 95.734 15.272 -0.326 1.00 0.00 N ATOM 1602 CA ASN A 114 96.845 14.487 0.299 1.00 0.00 C ATOM 1603 C ASN A 114 96.976 13.119 -0.378 1.00 0.00 C ATOM 1604 O ASN A 114 98.067 12.624 -0.576 1.00 0.00 O ATOM 1605 CB ASN A 114 96.452 14.331 1.770 1.00 0.00 C ATOM 1606 CG ASN A 114 97.568 13.612 2.537 1.00 0.00 C ATOM 1607 OD1 ASN A 114 98.323 12.849 1.970 1.00 0.00 O ATOM 1608 ND2 ASN A 114 97.706 13.833 3.817 1.00 0.00 N ATOM 0 H ASN A 114 94.984 15.538 0.312 1.00 0.00 H new ATOM 0 HA ASN A 114 97.809 14.984 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 114 96.268 15.310 2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 114 95.523 13.766 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 114 98.447 13.365 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 114 97.073 14.474 4.295 1.00 0.00 H new ATOM 1615 N CYS A 115 95.876 12.512 -0.744 1.00 0.00 N ATOM 1616 CA CYS A 115 95.945 11.181 -1.426 1.00 0.00 C ATOM 1617 C CYS A 115 96.668 11.314 -2.767 1.00 0.00 C ATOM 1618 O CYS A 115 97.526 10.517 -3.100 1.00 0.00 O ATOM 1619 CB CYS A 115 94.489 10.762 -1.661 1.00 0.00 C ATOM 1620 SG CYS A 115 93.959 9.613 -0.366 1.00 0.00 S ATOM 0 H CYS A 115 94.935 12.878 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 115 96.489 10.450 -0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.845 11.641 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.391 10.291 -2.639 1.00 0.00 H new ATOM 1625 N ILE A 116 96.314 12.305 -3.546 1.00 0.00 N ATOM 1626 CA ILE A 116 96.965 12.479 -4.881 1.00 0.00 C ATOM 1627 C ILE A 116 98.423 12.926 -4.720 1.00 0.00 C ATOM 1628 O ILE A 116 99.296 12.478 -5.439 1.00 0.00 O ATOM 1629 CB ILE A 116 96.137 13.551 -5.600 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.690 13.076 -5.743 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.712 13.813 -6.992 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.830 14.215 -6.294 1.00 0.00 C ATOM 0 H ILE A 116 95.604 13.000 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 116 96.991 11.547 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 116 96.170 14.469 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.643 12.215 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.306 12.751 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.117 14.576 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.742 14.158 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.688 12.892 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.799 13.876 -6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.867 15.063 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.210 14.519 -7.269 1.00 0.00 H new ATOM 1644 N ASN A 117 98.690 13.803 -3.787 1.00 0.00 N ATOM 1645 CA ASN A 117 100.094 14.279 -3.583 1.00 0.00 C ATOM 1646 C ASN A 117 100.978 13.138 -3.069 1.00 0.00 C ATOM 1647 O ASN A 117 102.119 12.997 -3.467 1.00 0.00 O ATOM 1648 CB ASN A 117 99.995 15.398 -2.546 1.00 0.00 C ATOM 1649 CG ASN A 117 99.310 16.611 -3.175 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.410 16.831 -4.366 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.609 17.414 -2.422 1.00 0.00 N ATOM 0 H ASN A 117 97.999 14.211 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 117 100.545 14.629 -4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.430 15.056 -1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.989 15.670 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.146 18.225 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.524 17.231 -1.422 1.00 0.00 H new ATOM 1658 N GLY A 118 100.457 12.331 -2.181 1.00 0.00 N ATOM 1659 CA GLY A 118 101.255 11.199 -1.625 1.00 0.00 C ATOM 1660 C GLY A 118 101.496 10.144 -2.707 1.00 0.00 C ATOM 1661 O GLY A 118 102.604 9.678 -2.893 1.00 0.00 O ATOM 0 H GLY A 118 99.508 12.409 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.209 11.567 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.728 10.752 -0.782 1.00 0.00 H new ATOM 1665 N ALA A 119 100.464 9.759 -3.411 1.00 0.00 N ATOM 1666 CA ALA A 119 100.623 8.721 -4.478 1.00 0.00 C ATOM 1667 C ALA A 119 101.576 9.215 -5.574 1.00 0.00 C ATOM 1668 O ALA A 119 102.386 8.463 -6.082 1.00 0.00 O ATOM 1669 CB ALA A 119 99.219 8.504 -5.044 1.00 0.00 C ATOM 0 H ALA A 119 99.516 10.118 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 119 101.049 7.798 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.257 7.754 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.555 8.162 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.842 9.442 -5.452 1.00 0.00 H new ATOM 1675 N ASN A 120 101.482 10.469 -5.939 1.00 0.00 N ATOM 1676 CA ASN A 120 102.379 11.011 -7.002 1.00 0.00 C ATOM 1677 C ASN A 120 103.630 11.630 -6.375 1.00 0.00 C ATOM 1678 O ASN A 120 103.571 12.790 -6.003 1.00 0.00 O ATOM 1679 CB ASN A 120 101.551 12.078 -7.717 1.00 0.00 C ATOM 1680 CG ASN A 120 102.282 12.528 -8.984 1.00 0.00 C ATOM 1681 OD1 ASN A 120 102.880 13.585 -9.013 1.00 0.00 O ATOM 1682 ND2 ASN A 120 102.258 11.764 -10.042 1.00 0.00 N ATOM 1683 OXT ASN A 120 104.627 10.933 -6.279 1.00 0.00 O ATOM 0 H ASN A 120 100.822 11.140 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 120 102.720 10.235 -7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 120 100.569 11.680 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 120 101.388 12.930 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 120 102.741 12.055 -10.892 1.00 0.00 H new ATOM 0 HD22 ASN A 120 101.756 10.876 -10.019 1.00 0.00 H new