USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 SER OG : rot -123:sc= 1.47 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 1.03 K(o=2,f=-7.3!) USER MOD Set 1.3: A 105 TYR OH : rot -17:sc= -0.514 USER MOD Set 2.1: A 26 THR OG1 : rot 12:sc= 0.482 USER MOD Set 2.2: A 39 ASN : amide:sc= 0.395 K(o=-0.032,f=-3.1!) USER MOD Set 2.3: A 75 TYR OH : rot 15:sc= -0.909 USER MOD Set 3.1: A 23 THR OG1 : rot 177:sc= 0.0514 USER MOD Set 3.2: A 74 HIS : no HD1:sc= -0.398 K(o=-0.35,f=-2.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= -0.0632 (180deg=-0.412) USER MOD Single : A 2 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 24:sc= 0.362 USER MOD Single : A 24 ASN : amide:sc= -0.0911 K(o=-0.091,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= 0.0517 (180deg=-0.0935) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.00248 X(o=-0.0025,f=-0.26) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -0.953 K(o=-0.95,f=-3!) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= -1.1 (180deg=-1.2) USER MOD Single : A 60 SER OG : rot 57:sc= 1.33 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -2.51! (180deg=-3.73!) USER MOD Single : A 71 THR OG1 : rot 50:sc= 0.226 USER MOD Single : A 72 CYS SG : rot 170:sc= 3.63! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.43) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -116:sc= 0.658 USER MOD Single : A 87 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 89 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-5!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 160:sc= -2.01! USER MOD Single : A 107 ASN : amide:sc= -0.442 K(o=-0.44,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.441 -6.503 10.903 1.00 0.00 N ATOM 2 CA MET A 1 -10.565 -7.522 10.285 1.00 0.00 C ATOM 3 C MET A 1 -9.602 -6.855 9.315 1.00 0.00 C ATOM 4 O MET A 1 -9.915 -5.815 8.743 1.00 0.00 O ATOM 5 CB MET A 1 -11.403 -8.571 9.544 1.00 0.00 C ATOM 6 CG MET A 1 -12.419 -9.278 10.428 1.00 0.00 C ATOM 7 SD MET A 1 -13.475 -10.413 9.507 1.00 0.00 S ATOM 8 CE MET A 1 -14.542 -11.013 10.817 1.00 0.00 C ATOM 0 H1 MET A 1 -11.547 -6.706 11.918 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.018 -5.561 10.780 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.375 -6.525 10.446 1.00 0.00 H new ATOM 0 HA MET A 1 -9.999 -8.019 11.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.926 -8.088 8.719 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.736 -9.314 9.107 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.894 -9.829 11.208 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.040 -8.534 10.926 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.255 -11.728 10.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.939 -11.501 11.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.082 -10.175 11.259 1.00 0.00 H new ATOM 20 N TYR A 2 -8.433 -7.452 9.131 1.00 0.00 N ATOM 21 CA TYR A 2 -7.437 -6.907 8.219 1.00 0.00 C ATOM 22 C TYR A 2 -7.837 -7.168 6.775 1.00 0.00 C ATOM 23 O TYR A 2 -8.399 -8.218 6.456 1.00 0.00 O ATOM 24 CB TYR A 2 -6.061 -7.505 8.501 1.00 0.00 C ATOM 25 CG TYR A 2 -5.347 -6.872 9.674 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.821 -7.018 10.969 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.195 -6.122 9.478 1.00 0.00 C ATOM 28 CE1 TYR A 2 -5.169 -6.433 12.036 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.536 -5.534 10.540 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.027 -5.693 11.817 1.00 0.00 C ATOM 31 OH TYR A 2 -3.377 -5.112 12.883 1.00 0.00 O ATOM 0 H TYR A 2 -8.151 -8.313 9.600 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.385 -5.830 8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.171 -8.573 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.441 -7.400 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.714 -7.599 11.146 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -3.808 -5.996 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.552 -6.555 13.038 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.641 -4.953 10.370 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.515 -5.656 13.686 1.00 0.00 H new ATOM 41 N LEU A 3 -7.541 -6.209 5.910 1.00 0.00 N ATOM 42 CA LEU A 3 -7.927 -6.286 4.510 1.00 0.00 C ATOM 43 C LEU A 3 -7.023 -7.242 3.742 1.00 0.00 C ATOM 44 O LEU A 3 -5.844 -7.393 4.066 1.00 0.00 O ATOM 45 CB LEU A 3 -7.866 -4.899 3.865 1.00 0.00 C ATOM 46 CG LEU A 3 -8.714 -3.819 4.543 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.544 -2.486 3.830 1.00 0.00 C ATOM 48 CD2 LEU A 3 -10.181 -4.224 4.569 1.00 0.00 C ATOM 0 H LEU A 3 -7.030 -5.361 6.157 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.949 -6.663 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.828 -4.568 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.183 -4.986 2.826 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.371 -3.710 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.153 -1.729 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.496 -2.187 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.861 -2.586 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.766 -3.443 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.538 -4.363 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.291 -5.157 5.122 1.00 0.00 H new ATOM 60 N ARG A 4 -7.587 -7.882 2.728 1.00 0.00 N ATOM 61 CA ARG A 4 -6.822 -8.744 1.838 1.00 0.00 C ATOM 62 C ARG A 4 -5.961 -7.901 0.902 1.00 0.00 C ATOM 63 O ARG A 4 -6.278 -6.738 0.651 1.00 0.00 O ATOM 64 CB ARG A 4 -7.767 -9.616 1.009 1.00 0.00 C ATOM 65 CG ARG A 4 -8.456 -10.716 1.798 1.00 0.00 C ATOM 66 CD ARG A 4 -9.435 -11.485 0.923 1.00 0.00 C ATOM 67 NE ARG A 4 -8.825 -11.899 -0.343 1.00 0.00 N ATOM 68 CZ ARG A 4 -9.355 -12.793 -1.177 1.00 0.00 C ATOM 69 NH1 ARG A 4 -10.493 -13.409 -0.870 1.00 0.00 N ATOM 70 NH2 ARG A 4 -8.745 -13.054 -2.325 1.00 0.00 N ATOM 0 H ARG A 4 -8.579 -7.820 2.500 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.179 -9.383 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.527 -8.979 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.203 -10.069 0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.710 -11.400 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.985 -10.283 2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.789 -12.365 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.307 -10.863 0.720 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.935 -11.474 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.966 -13.198 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.893 -14.092 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.878 -12.572 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.143 -13.737 -2.970 1.00 0.00 H new ATOM 84 N PRO A 5 -4.867 -8.471 0.368 1.00 0.00 N ATOM 85 CA PRO A 5 -4.026 -7.792 -0.623 1.00 0.00 C ATOM 86 C PRO A 5 -4.846 -7.348 -1.832 1.00 0.00 C ATOM 87 O PRO A 5 -4.651 -6.255 -2.368 1.00 0.00 O ATOM 88 CB PRO A 5 -2.992 -8.854 -1.030 1.00 0.00 C ATOM 89 CG PRO A 5 -3.527 -10.150 -0.514 1.00 0.00 C ATOM 90 CD PRO A 5 -4.351 -9.808 0.694 1.00 0.00 C ATOM 0 HA PRO A 5 -3.567 -6.887 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.866 -8.885 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.014 -8.634 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.132 -10.650 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.716 -10.830 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.157 -10.525 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.751 -9.799 1.604 1.00 0.00 H new ATOM 98 N ASP A 6 -5.778 -8.208 -2.237 1.00 0.00 N ATOM 99 CA ASP A 6 -6.711 -7.896 -3.313 1.00 0.00 C ATOM 100 C ASP A 6 -7.536 -6.670 -2.940 1.00 0.00 C ATOM 101 O ASP A 6 -7.711 -5.755 -3.741 1.00 0.00 O ATOM 102 CB ASP A 6 -7.660 -9.075 -3.566 1.00 0.00 C ATOM 103 CG ASP A 6 -6.945 -10.409 -3.673 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.784 -11.080 -2.629 1.00 0.00 O ATOM 105 OD2 ASP A 6 -6.561 -10.805 -4.796 1.00 0.00 O ATOM 0 H ASP A 6 -5.906 -9.135 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.136 -7.699 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.389 -9.125 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.216 -8.894 -4.486 1.00 0.00 H new ATOM 110 N GLU A 7 -8.009 -6.658 -1.696 1.00 0.00 N ATOM 111 CA GLU A 7 -8.865 -5.590 -1.185 1.00 0.00 C ATOM 112 C GLU A 7 -8.127 -4.253 -1.188 1.00 0.00 C ATOM 113 O GLU A 7 -8.692 -3.220 -1.553 1.00 0.00 O ATOM 114 CB GLU A 7 -9.325 -5.934 0.236 1.00 0.00 C ATOM 115 CG GLU A 7 -10.331 -4.957 0.823 1.00 0.00 C ATOM 116 CD GLU A 7 -11.728 -5.133 0.261 1.00 0.00 C ATOM 117 OE1 GLU A 7 -11.866 -5.479 -0.928 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.702 -4.901 1.002 1.00 0.00 O ATOM 0 H GLU A 7 -7.809 -7.389 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.735 -5.500 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.765 -6.931 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.452 -5.974 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.363 -5.083 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.994 -3.938 0.631 1.00 0.00 H new ATOM 125 N VAL A 8 -6.862 -4.282 -0.781 1.00 0.00 N ATOM 126 CA VAL A 8 -6.027 -3.085 -0.775 1.00 0.00 C ATOM 127 C VAL A 8 -5.910 -2.508 -2.184 1.00 0.00 C ATOM 128 O VAL A 8 -6.083 -1.304 -2.392 1.00 0.00 O ATOM 129 CB VAL A 8 -4.613 -3.379 -0.220 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.747 -2.127 -0.236 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.700 -3.947 1.188 1.00 0.00 C ATOM 0 H VAL A 8 -6.391 -5.124 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.508 -2.358 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.146 -4.121 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.759 -2.363 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.651 -1.764 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.210 -1.356 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.696 -4.148 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.193 -3.227 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.273 -4.874 1.172 1.00 0.00 H new ATOM 141 N ALA A 9 -5.632 -3.380 -3.147 1.00 0.00 N ATOM 142 CA ALA A 9 -5.527 -2.975 -4.542 1.00 0.00 C ATOM 143 C ALA A 9 -6.838 -2.368 -5.036 1.00 0.00 C ATOM 144 O ALA A 9 -6.832 -1.387 -5.776 1.00 0.00 O ATOM 145 CB ALA A 9 -5.127 -4.162 -5.407 1.00 0.00 C ATOM 0 H ALA A 9 -5.475 -4.375 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.754 -2.211 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.052 -3.845 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.163 -4.546 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.879 -4.946 -5.320 1.00 0.00 H new ATOM 151 N ARG A 10 -7.955 -2.946 -4.599 1.00 0.00 N ATOM 152 CA ARG A 10 -9.282 -2.478 -5.002 1.00 0.00 C ATOM 153 C ARG A 10 -9.485 -1.006 -4.660 1.00 0.00 C ATOM 154 O ARG A 10 -9.955 -0.226 -5.495 1.00 0.00 O ATOM 155 CB ARG A 10 -10.372 -3.313 -4.331 1.00 0.00 C ATOM 156 CG ARG A 10 -10.404 -4.757 -4.792 1.00 0.00 C ATOM 157 CD ARG A 10 -11.411 -5.570 -3.997 1.00 0.00 C ATOM 158 NE ARG A 10 -11.426 -6.974 -4.401 1.00 0.00 N ATOM 159 CZ ARG A 10 -11.650 -7.988 -3.571 1.00 0.00 C ATOM 160 NH1 ARG A 10 -11.857 -7.763 -2.278 1.00 0.00 N ATOM 161 NH2 ARG A 10 -11.667 -9.229 -4.043 1.00 0.00 N ATOM 0 H ARG A 10 -7.968 -3.743 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.351 -2.592 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.223 -3.289 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.341 -2.856 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.657 -4.797 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.413 -5.197 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.174 -5.501 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.406 -5.144 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.254 -7.190 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.845 -6.809 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.028 -8.545 -1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.509 -9.399 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.838 -10.012 -3.412 1.00 0.00 H new ATOM 175 N VAL A 11 -9.129 -0.625 -3.439 1.00 0.00 N ATOM 176 CA VAL A 11 -9.263 0.763 -3.007 1.00 0.00 C ATOM 177 C VAL A 11 -8.384 1.671 -3.860 1.00 0.00 C ATOM 178 O VAL A 11 -8.802 2.757 -4.259 1.00 0.00 O ATOM 179 CB VAL A 11 -8.903 0.939 -1.515 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.973 2.403 -1.101 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.823 0.099 -0.644 1.00 0.00 C ATOM 0 H VAL A 11 -8.747 -1.254 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.309 1.043 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.878 0.597 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.715 2.496 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.271 2.984 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.984 2.779 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.556 0.235 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.856 0.411 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.718 -0.952 -0.912 1.00 0.00 H new ATOM 191 N LEU A 12 -7.175 1.208 -4.155 1.00 0.00 N ATOM 192 CA LEU A 12 -6.249 1.958 -4.997 1.00 0.00 C ATOM 193 C LEU A 12 -6.847 2.196 -6.382 1.00 0.00 C ATOM 194 O LEU A 12 -6.838 3.323 -6.889 1.00 0.00 O ATOM 195 CB LEU A 12 -4.918 1.212 -5.119 1.00 0.00 C ATOM 196 CG LEU A 12 -4.192 0.961 -3.797 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.943 0.129 -4.025 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.837 2.277 -3.123 1.00 0.00 C ATOM 0 H LEU A 12 -6.812 0.315 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.070 2.926 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.100 0.253 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.259 1.781 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.861 0.407 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.439 -0.040 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.220 -0.830 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.272 0.658 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.321 2.077 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.187 2.857 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.748 2.841 -2.924 1.00 0.00 H new ATOM 210 N GLU A 13 -7.379 1.135 -6.986 1.00 0.00 N ATOM 211 CA GLU A 13 -8.014 1.229 -8.290 1.00 0.00 C ATOM 212 C GLU A 13 -9.169 2.223 -8.255 1.00 0.00 C ATOM 213 O GLU A 13 -9.369 3.000 -9.190 1.00 0.00 O ATOM 214 CB GLU A 13 -8.555 -0.133 -8.712 1.00 0.00 C ATOM 215 CG GLU A 13 -7.521 -1.244 -8.739 1.00 0.00 C ATOM 216 CD GLU A 13 -8.109 -2.556 -9.209 1.00 0.00 C ATOM 217 OE1 GLU A 13 -9.047 -3.066 -8.555 1.00 0.00 O ATOM 218 OE2 GLU A 13 -7.655 -3.070 -10.255 1.00 0.00 O ATOM 0 H GLU A 13 -7.380 0.197 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.264 1.568 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.357 -0.418 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.997 -0.042 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.700 -0.959 -9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.101 -1.372 -7.741 1.00 0.00 H new ATOM 225 N LYS A 14 -9.918 2.188 -7.161 1.00 0.00 N ATOM 226 CA LYS A 14 -11.099 3.018 -7.001 1.00 0.00 C ATOM 227 C LYS A 14 -10.710 4.479 -6.841 1.00 0.00 C ATOM 228 O LYS A 14 -11.347 5.370 -7.400 1.00 0.00 O ATOM 229 CB LYS A 14 -11.891 2.561 -5.777 1.00 0.00 C ATOM 230 CG LYS A 14 -13.376 2.908 -5.821 1.00 0.00 C ATOM 231 CD LYS A 14 -14.150 2.008 -6.784 1.00 0.00 C ATOM 232 CE LYS A 14 -13.891 2.353 -8.247 1.00 0.00 C ATOM 233 NZ LYS A 14 -14.614 1.437 -9.165 1.00 0.00 N ATOM 0 H LYS A 14 -9.723 1.584 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.716 2.917 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.786 1.481 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.452 3.011 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.799 2.816 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.496 3.948 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.874 0.969 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.217 2.094 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.202 3.380 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.821 2.301 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.413 1.703 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.299 0.460 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.637 1.506 -8.989 1.00 0.00 H new ATOM 247 N ALA A 15 -9.656 4.708 -6.069 1.00 0.00 N ATOM 248 CA ALA A 15 -9.140 6.052 -5.841 1.00 0.00 C ATOM 249 C ALA A 15 -8.660 6.684 -7.144 1.00 0.00 C ATOM 250 O ALA A 15 -8.669 7.905 -7.295 1.00 0.00 O ATOM 251 CB ALA A 15 -8.013 6.016 -4.819 1.00 0.00 C ATOM 0 H ALA A 15 -9.138 3.974 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.951 6.666 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.636 7.026 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.388 5.614 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.207 5.383 -5.189 1.00 0.00 H new ATOM 257 N GLY A 16 -8.248 5.847 -8.085 1.00 0.00 N ATOM 258 CA GLY A 16 -7.801 6.343 -9.372 1.00 0.00 C ATOM 259 C GLY A 16 -6.340 6.056 -9.627 1.00 0.00 C ATOM 260 O GLY A 16 -5.703 6.720 -10.445 1.00 0.00 O ATOM 0 H GLY A 16 -8.215 4.833 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.400 5.889 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.971 7.419 -9.422 1.00 0.00 H new ATOM 264 N PHE A 17 -5.804 5.068 -8.929 1.00 0.00 N ATOM 265 CA PHE A 17 -4.397 4.713 -9.057 1.00 0.00 C ATOM 266 C PHE A 17 -4.148 3.796 -10.254 1.00 0.00 C ATOM 267 O PHE A 17 -5.082 3.364 -10.935 1.00 0.00 O ATOM 268 CB PHE A 17 -3.899 4.024 -7.787 1.00 0.00 C ATOM 269 CG PHE A 17 -3.540 4.958 -6.666 1.00 0.00 C ATOM 270 CD1 PHE A 17 -4.507 5.730 -6.043 1.00 0.00 C ATOM 271 CD2 PHE A 17 -2.228 5.058 -6.236 1.00 0.00 C ATOM 272 CE1 PHE A 17 -4.170 6.586 -5.013 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.885 5.912 -5.205 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.857 6.677 -4.592 1.00 0.00 C ATOM 0 H PHE A 17 -6.323 4.494 -8.265 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.848 5.642 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.669 3.337 -7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.024 3.423 -8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.535 5.662 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.464 4.462 -6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.933 7.184 -4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.858 5.981 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.592 7.345 -3.786 1.00 0.00 H new ATOM 284 N THR A 18 -2.877 3.497 -10.491 1.00 0.00 N ATOM 285 CA THR A 18 -2.463 2.632 -11.588 1.00 0.00 C ATOM 286 C THR A 18 -1.384 1.659 -11.118 1.00 0.00 C ATOM 287 O THR A 18 -0.689 1.933 -10.140 1.00 0.00 O ATOM 288 CB THR A 18 -1.915 3.463 -12.763 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.081 4.522 -12.265 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.045 4.045 -13.599 1.00 0.00 C ATOM 0 H THR A 18 -2.103 3.848 -9.927 1.00 0.00 H new ATOM 0 HA THR A 18 -3.338 2.074 -11.923 1.00 0.00 H new ATOM 0 HB THR A 18 -1.326 2.803 -13.400 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.737 4.279 -11.380 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.627 4.627 -14.421 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.655 3.236 -14.000 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.664 4.691 -12.976 1.00 0.00 H new ATOM 298 N VAL A 19 -1.251 0.524 -11.790 1.00 0.00 N ATOM 299 CA VAL A 19 -0.195 -0.423 -11.454 1.00 0.00 C ATOM 300 C VAL A 19 0.976 -0.255 -12.417 1.00 0.00 C ATOM 301 O VAL A 19 0.784 0.051 -13.596 1.00 0.00 O ATOM 302 CB VAL A 19 -0.697 -1.893 -11.477 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.922 -2.389 -12.898 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.271 -2.807 -10.740 1.00 0.00 C ATOM 0 H VAL A 19 -1.853 0.238 -12.562 1.00 0.00 H new ATOM 0 HA VAL A 19 0.130 -0.207 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.658 -1.916 -10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.273 -3.421 -12.872 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.669 -1.764 -13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.014 -2.338 -13.454 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.101 -3.831 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.249 -2.763 -11.219 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.360 -2.483 -9.703 1.00 0.00 H new ATOM 314 N ASP A 20 2.185 -0.415 -11.907 1.00 0.00 N ATOM 315 CA ASP A 20 3.375 -0.331 -12.738 1.00 0.00 C ATOM 316 C ASP A 20 3.976 -1.713 -12.936 1.00 0.00 C ATOM 317 O ASP A 20 4.016 -2.233 -14.050 1.00 0.00 O ATOM 318 CB ASP A 20 4.412 0.602 -12.113 1.00 0.00 C ATOM 319 CG ASP A 20 5.633 0.770 -12.998 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.494 1.334 -14.101 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.734 0.359 -12.589 1.00 0.00 O ATOM 0 H ASP A 20 2.369 -0.604 -10.922 1.00 0.00 H new ATOM 0 HA ASP A 20 3.084 0.075 -13.707 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.959 1.577 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.718 0.207 -11.144 1.00 0.00 H new ATOM 326 N VAL A 21 4.424 -2.306 -11.842 1.00 0.00 N ATOM 327 CA VAL A 21 4.998 -3.637 -11.878 1.00 0.00 C ATOM 328 C VAL A 21 4.022 -4.658 -11.297 1.00 0.00 C ATOM 329 O VAL A 21 3.794 -4.719 -10.087 1.00 0.00 O ATOM 330 CB VAL A 21 6.364 -3.692 -11.143 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.272 -3.105 -9.738 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.895 -5.120 -11.095 1.00 0.00 C ATOM 0 H VAL A 21 4.400 -1.883 -10.914 1.00 0.00 H new ATOM 0 HA VAL A 21 5.182 -3.891 -12.922 1.00 0.00 H new ATOM 0 HB VAL A 21 7.065 -3.080 -11.710 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.248 -3.161 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.957 -2.063 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.545 -3.670 -9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.853 -5.135 -10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.185 -5.755 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.027 -5.493 -12.110 1.00 0.00 H new ATOM 342 N VAL A 22 3.416 -5.438 -12.173 1.00 0.00 N ATOM 343 CA VAL A 22 2.458 -6.441 -11.753 1.00 0.00 C ATOM 344 C VAL A 22 3.105 -7.826 -11.726 1.00 0.00 C ATOM 345 O VAL A 22 3.570 -8.335 -12.745 1.00 0.00 O ATOM 346 CB VAL A 22 1.202 -6.440 -12.662 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.580 -6.577 -14.130 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.234 -7.540 -12.250 1.00 0.00 C ATOM 0 H VAL A 22 3.571 -5.395 -13.180 1.00 0.00 H new ATOM 0 HA VAL A 22 2.135 -6.190 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 22 0.703 -5.479 -12.535 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.677 -6.573 -14.740 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.218 -5.743 -14.421 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.116 -7.514 -14.282 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.639 -7.519 -12.902 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.727 -8.509 -12.334 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.080 -7.381 -11.218 1.00 0.00 H new ATOM 358 N THR A 23 3.161 -8.414 -10.543 1.00 0.00 N ATOM 359 CA THR A 23 3.734 -9.737 -10.372 1.00 0.00 C ATOM 360 C THR A 23 2.810 -10.598 -9.519 1.00 0.00 C ATOM 361 O THR A 23 1.959 -10.075 -8.799 1.00 0.00 O ATOM 362 CB THR A 23 5.134 -9.665 -9.721 1.00 0.00 C ATOM 363 OG1 THR A 23 5.105 -8.798 -8.577 1.00 0.00 O ATOM 364 CG2 THR A 23 6.179 -9.166 -10.709 1.00 0.00 C ATOM 0 H THR A 23 2.814 -7.992 -9.682 1.00 0.00 H new ATOM 0 HA THR A 23 3.843 -10.186 -11.359 1.00 0.00 H new ATOM 0 HB THR A 23 5.407 -10.673 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.982 -8.804 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.152 -9.127 -10.220 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.228 -9.844 -11.561 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.906 -8.169 -11.055 1.00 0.00 H new ATOM 372 N ASN A 24 2.983 -11.911 -9.580 1.00 0.00 N ATOM 373 CA ASN A 24 2.121 -12.826 -8.836 1.00 0.00 C ATOM 374 C ASN A 24 2.528 -12.867 -7.363 1.00 0.00 C ATOM 375 O ASN A 24 1.987 -13.634 -6.568 1.00 0.00 O ATOM 376 CB ASN A 24 2.175 -14.229 -9.448 1.00 0.00 C ATOM 377 CG ASN A 24 1.020 -15.105 -8.998 1.00 0.00 C ATOM 378 OD1 ASN A 24 -0.088 -14.620 -8.758 1.00 0.00 O ATOM 379 ND2 ASN A 24 1.269 -16.396 -8.877 1.00 0.00 N ATOM 0 H ASN A 24 3.708 -12.367 -10.134 1.00 0.00 H new ATOM 0 HA ASN A 24 1.095 -12.462 -8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.163 -14.148 -10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.116 -14.705 -9.174 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.531 -17.032 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.200 -16.758 -9.085 1.00 0.00 H new ATOM 386 N LYS A 25 3.489 -12.026 -7.006 1.00 0.00 N ATOM 387 CA LYS A 25 3.919 -11.894 -5.627 1.00 0.00 C ATOM 388 C LYS A 25 3.655 -10.484 -5.132 1.00 0.00 C ATOM 389 O LYS A 25 3.702 -10.216 -3.930 1.00 0.00 O ATOM 390 CB LYS A 25 5.416 -12.182 -5.496 1.00 0.00 C ATOM 391 CG LYS A 25 5.801 -13.644 -5.629 1.00 0.00 C ATOM 392 CD LYS A 25 7.312 -13.800 -5.576 1.00 0.00 C ATOM 393 CE LYS A 25 7.734 -15.253 -5.478 1.00 0.00 C ATOM 394 NZ LYS A 25 7.356 -15.854 -4.171 1.00 0.00 N ATOM 0 H LYS A 25 3.987 -11.422 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 25 3.357 -12.613 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.949 -11.611 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.757 -11.818 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.341 -14.222 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.420 -14.043 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.753 -13.355 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.703 -13.251 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.272 -15.820 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.813 -15.327 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.216 -16.120 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.814 -15.162 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.774 -16.700 -4.333 1.00 0.00 H new ATOM 408 N THR A 26 3.369 -9.577 -6.056 1.00 0.00 N ATOM 409 CA THR A 26 3.360 -8.168 -5.726 1.00 0.00 C ATOM 410 C THR A 26 2.606 -7.317 -6.751 1.00 0.00 C ATOM 411 O THR A 26 2.757 -7.492 -7.960 1.00 0.00 O ATOM 412 CB THR A 26 4.821 -7.667 -5.612 1.00 0.00 C ATOM 413 OG1 THR A 26 5.409 -8.110 -4.383 1.00 0.00 O ATOM 414 CG2 THR A 26 4.915 -6.159 -5.727 1.00 0.00 C ATOM 0 H THR A 26 3.143 -9.793 -7.027 1.00 0.00 H new ATOM 0 HA THR A 26 2.834 -8.060 -4.778 1.00 0.00 H new ATOM 0 HB THR A 26 5.376 -8.094 -6.447 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.837 -8.792 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.957 -5.852 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.522 -5.843 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.334 -5.696 -4.929 1.00 0.00 H new ATOM 422 N TYR A 27 1.798 -6.392 -6.246 1.00 0.00 N ATOM 423 CA TYR A 27 1.172 -5.372 -7.077 1.00 0.00 C ATOM 424 C TYR A 27 1.860 -4.026 -6.849 1.00 0.00 C ATOM 425 O TYR A 27 1.591 -3.343 -5.860 1.00 0.00 O ATOM 426 CB TYR A 27 -0.323 -5.233 -6.762 1.00 0.00 C ATOM 427 CG TYR A 27 -1.194 -6.354 -7.289 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.356 -6.552 -8.655 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.869 -7.201 -6.418 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.162 -7.566 -9.139 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.677 -8.215 -6.895 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.820 -8.393 -8.254 1.00 0.00 C ATOM 433 OH TYR A 27 -3.625 -9.404 -8.729 1.00 0.00 O ATOM 0 H TYR A 27 1.560 -6.328 -5.256 1.00 0.00 H new ATOM 0 HA TYR A 27 1.279 -5.677 -8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.447 -5.174 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.680 -4.290 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.844 -5.903 -9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.760 -7.064 -5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.275 -7.709 -10.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.195 -8.866 -6.206 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.014 -9.894 -7.975 1.00 0.00 H new ATOM 443 N GLY A 28 2.763 -3.663 -7.747 1.00 0.00 N ATOM 444 CA GLY A 28 3.454 -2.394 -7.629 1.00 0.00 C ATOM 445 C GLY A 28 2.604 -1.243 -8.122 1.00 0.00 C ATOM 446 O GLY A 28 2.633 -0.904 -9.302 1.00 0.00 O ATOM 0 H GLY A 28 3.030 -4.224 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.727 -2.224 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.382 -2.431 -8.200 1.00 0.00 H new ATOM 450 N TYR A 29 1.851 -0.649 -7.216 1.00 0.00 N ATOM 451 CA TYR A 29 0.907 0.402 -7.560 1.00 0.00 C ATOM 452 C TYR A 29 1.523 1.786 -7.401 1.00 0.00 C ATOM 453 O TYR A 29 2.448 1.982 -6.611 1.00 0.00 O ATOM 454 CB TYR A 29 -0.337 0.269 -6.689 1.00 0.00 C ATOM 455 CG TYR A 29 -1.445 -0.520 -7.347 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.432 -1.909 -7.342 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.501 0.124 -7.981 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.436 -2.632 -7.952 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.510 -0.595 -8.591 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.472 -1.971 -8.573 1.00 0.00 C ATOM 461 OH TYR A 29 -4.469 -2.691 -9.184 1.00 0.00 O ATOM 0 H TYR A 29 1.875 -0.879 -6.223 1.00 0.00 H new ATOM 0 HA TYR A 29 0.634 0.289 -8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.065 -0.213 -5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.707 1.264 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.623 -2.431 -6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.533 1.203 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.410 -3.712 -7.943 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.324 -0.081 -9.079 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.583 -3.548 -8.723 1.00 0.00 H new ATOM 471 N ARG A 30 1.006 2.745 -8.163 1.00 0.00 N ATOM 472 CA ARG A 30 1.510 4.108 -8.121 1.00 0.00 C ATOM 473 C ARG A 30 0.504 5.090 -8.721 1.00 0.00 C ATOM 474 O ARG A 30 -0.456 4.689 -9.387 1.00 0.00 O ATOM 475 CB ARG A 30 2.829 4.209 -8.890 1.00 0.00 C ATOM 476 CG ARG A 30 2.660 4.329 -10.397 1.00 0.00 C ATOM 477 CD ARG A 30 4.002 4.390 -11.094 1.00 0.00 C ATOM 478 NE ARG A 30 3.933 5.094 -12.375 1.00 0.00 N ATOM 479 CZ ARG A 30 3.658 4.518 -13.542 1.00 0.00 C ATOM 480 NH1 ARG A 30 3.331 3.238 -13.605 1.00 0.00 N ATOM 481 NH2 ARG A 30 3.694 5.236 -14.653 1.00 0.00 N ATOM 0 H ARG A 30 0.237 2.600 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 30 1.672 4.367 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.384 5.074 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.433 3.328 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.091 3.478 -10.771 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.084 5.225 -10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.723 4.889 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.370 3.377 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 30 4.108 6.099 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.287 2.680 -12.752 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.122 2.809 -14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.932 6.227 -14.612 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.484 4.798 -15.550 1.00 0.00 H new ATOM 495 N ARG A 31 0.734 6.372 -8.473 1.00 0.00 N ATOM 496 CA ARG A 31 0.009 7.443 -9.144 1.00 0.00 C ATOM 497 C ARG A 31 0.788 8.740 -8.989 1.00 0.00 C ATOM 498 O ARG A 31 1.206 9.091 -7.884 1.00 0.00 O ATOM 499 CB ARG A 31 -1.411 7.616 -8.594 1.00 0.00 C ATOM 500 CG ARG A 31 -2.288 8.477 -9.491 1.00 0.00 C ATOM 501 CD ARG A 31 -3.715 8.557 -8.979 1.00 0.00 C ATOM 502 NE ARG A 31 -3.864 9.496 -7.869 1.00 0.00 N ATOM 503 CZ ARG A 31 -5.007 9.688 -7.214 1.00 0.00 C ATOM 504 NH1 ARG A 31 -6.097 9.010 -7.549 1.00 0.00 N ATOM 505 NH2 ARG A 31 -5.064 10.574 -6.238 1.00 0.00 N ATOM 0 H ARG A 31 1.428 6.699 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.086 7.179 -10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.872 6.635 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.360 8.066 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.868 9.481 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.287 8.067 -10.501 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.373 8.857 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.037 7.567 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.047 10.034 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.063 8.336 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.969 9.163 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.233 11.110 -5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.939 10.723 -5.735 1.00 0.00 H new ATOM 519 N GLY A 32 0.995 9.436 -10.099 1.00 0.00 N ATOM 520 CA GLY A 32 1.799 10.640 -10.078 1.00 0.00 C ATOM 521 C GLY A 32 3.246 10.330 -9.765 1.00 0.00 C ATOM 522 O GLY A 32 3.980 9.831 -10.618 1.00 0.00 O ATOM 0 H GLY A 32 0.620 9.187 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.733 11.141 -11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.404 11.331 -9.333 1.00 0.00 H new ATOM 526 N GLU A 33 3.649 10.612 -8.535 1.00 0.00 N ATOM 527 CA GLU A 33 4.993 10.292 -8.077 1.00 0.00 C ATOM 528 C GLU A 33 4.937 9.566 -6.738 1.00 0.00 C ATOM 529 O GLU A 33 5.927 9.493 -6.013 1.00 0.00 O ATOM 530 CB GLU A 33 5.840 11.565 -7.966 1.00 0.00 C ATOM 531 CG GLU A 33 6.156 12.197 -9.313 1.00 0.00 C ATOM 532 CD GLU A 33 7.075 13.395 -9.210 1.00 0.00 C ATOM 533 OE1 GLU A 33 8.234 13.226 -8.769 1.00 0.00 O ATOM 534 OE2 GLU A 33 6.654 14.508 -9.594 1.00 0.00 O ATOM 0 H GLU A 33 3.062 11.064 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 33 5.461 9.633 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.313 12.291 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.774 11.329 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.616 11.449 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.225 12.502 -9.791 1.00 0.00 H new ATOM 541 N ASN A 34 3.772 9.024 -6.414 1.00 0.00 N ATOM 542 CA ASN A 34 3.603 8.264 -5.182 1.00 0.00 C ATOM 543 C ASN A 34 3.606 6.776 -5.493 1.00 0.00 C ATOM 544 O ASN A 34 3.013 6.350 -6.484 1.00 0.00 O ATOM 545 CB ASN A 34 2.301 8.643 -4.467 1.00 0.00 C ATOM 546 CG ASN A 34 2.215 10.123 -4.137 1.00 0.00 C ATOM 547 OD1 ASN A 34 2.774 10.578 -3.142 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.498 10.876 -4.960 1.00 0.00 N ATOM 0 H ASN A 34 2.930 9.096 -6.986 1.00 0.00 H new ATOM 0 HA ASN A 34 4.434 8.503 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.454 8.367 -5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.217 8.066 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.394 11.874 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.050 10.457 -5.775 1.00 0.00 H new ATOM 555 N TYR A 35 4.276 5.992 -4.657 1.00 0.00 N ATOM 556 CA TYR A 35 4.399 4.559 -4.892 1.00 0.00 C ATOM 557 C TYR A 35 3.886 3.760 -3.698 1.00 0.00 C ATOM 558 O TYR A 35 4.258 4.030 -2.555 1.00 0.00 O ATOM 559 CB TYR A 35 5.859 4.180 -5.170 1.00 0.00 C ATOM 560 CG TYR A 35 6.448 4.827 -6.405 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.178 4.323 -7.669 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.279 5.936 -6.304 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.717 4.907 -8.799 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.824 6.525 -7.430 1.00 0.00 C ATOM 565 CZ TYR A 35 7.538 6.006 -8.676 1.00 0.00 C ATOM 566 OH TYR A 35 8.077 6.588 -9.801 1.00 0.00 O ATOM 0 H TYR A 35 4.741 6.324 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 35 3.792 4.316 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.464 4.456 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.927 3.097 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.536 3.460 -7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.503 6.345 -5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.495 4.503 -9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.469 7.386 -7.335 1.00 0.00 H new ATOM 0 HH TYR A 35 8.632 7.353 -9.540 1.00 0.00 H new ATOM 576 N VAL A 36 3.031 2.785 -3.972 1.00 0.00 N ATOM 577 CA VAL A 36 2.537 1.871 -2.948 1.00 0.00 C ATOM 578 C VAL A 36 2.599 0.434 -3.453 1.00 0.00 C ATOM 579 O VAL A 36 1.911 0.058 -4.400 1.00 0.00 O ATOM 580 CB VAL A 36 1.093 2.198 -2.499 1.00 0.00 C ATOM 581 CG1 VAL A 36 1.073 3.409 -1.585 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.181 2.431 -3.694 1.00 0.00 C ATOM 0 H VAL A 36 2.661 2.604 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 36 3.184 1.993 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 36 0.719 1.336 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.047 3.620 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.678 3.208 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.479 4.271 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.826 2.658 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.558 3.268 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.156 1.534 -4.313 1.00 0.00 H new ATOM 592 N TYR A 37 3.441 -0.364 -2.830 1.00 0.00 N ATOM 593 CA TYR A 37 3.638 -1.732 -3.264 1.00 0.00 C ATOM 594 C TYR A 37 2.806 -2.689 -2.427 1.00 0.00 C ATOM 595 O TYR A 37 3.075 -2.896 -1.242 1.00 0.00 O ATOM 596 CB TYR A 37 5.115 -2.106 -3.189 1.00 0.00 C ATOM 597 CG TYR A 37 5.987 -1.319 -4.141 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.188 -1.757 -5.443 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.608 -0.143 -3.741 1.00 0.00 C ATOM 600 CE1 TYR A 37 6.985 -1.047 -6.320 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.407 0.572 -4.613 1.00 0.00 C ATOM 602 CZ TYR A 37 7.593 0.115 -5.900 1.00 0.00 C ATOM 603 OH TYR A 37 8.392 0.822 -6.769 1.00 0.00 O ATOM 0 H TYR A 37 4.000 -0.090 -2.022 1.00 0.00 H new ATOM 0 HA TYR A 37 3.310 -1.812 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.470 -1.949 -2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.224 -3.169 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.713 -2.668 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.464 0.218 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.130 -1.401 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.884 1.485 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 37 8.744 1.617 -6.317 1.00 0.00 H new ATOM 613 N VAL A 38 1.788 -3.256 -3.050 1.00 0.00 N ATOM 614 CA VAL A 38 0.903 -4.187 -2.377 1.00 0.00 C ATOM 615 C VAL A 38 1.487 -5.591 -2.414 1.00 0.00 C ATOM 616 O VAL A 38 1.658 -6.175 -3.489 1.00 0.00 O ATOM 617 CB VAL A 38 -0.500 -4.202 -3.015 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.431 -5.126 -2.248 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.075 -2.798 -3.079 1.00 0.00 C ATOM 0 H VAL A 38 1.554 -3.085 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 38 0.807 -3.854 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.406 -4.581 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.415 -5.121 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.029 -6.139 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.517 -4.782 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.066 -2.831 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.151 -2.390 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.422 -2.164 -3.679 1.00 0.00 H new ATOM 629 N ASN A 39 1.804 -6.119 -1.244 1.00 0.00 N ATOM 630 CA ASN A 39 2.337 -7.462 -1.137 1.00 0.00 C ATOM 631 C ASN A 39 1.220 -8.459 -1.363 1.00 0.00 C ATOM 632 O ASN A 39 0.329 -8.621 -0.527 1.00 0.00 O ATOM 633 CB ASN A 39 2.986 -7.696 0.226 1.00 0.00 C ATOM 634 CG ASN A 39 3.870 -8.929 0.228 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.429 -10.030 0.556 1.00 0.00 O ATOM 636 ND2 ASN A 39 5.124 -8.756 -0.162 1.00 0.00 N ATOM 0 H ASN A 39 1.700 -5.634 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 39 3.109 -7.593 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.579 -6.824 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.210 -7.805 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.761 -9.552 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.452 -7.827 -0.426 1.00 0.00 H new ATOM 643 N ARG A 40 1.278 -9.125 -2.497 1.00 0.00 N ATOM 644 CA ARG A 40 0.193 -9.975 -2.945 1.00 0.00 C ATOM 645 C ARG A 40 0.134 -11.259 -2.126 1.00 0.00 C ATOM 646 O ARG A 40 -0.886 -11.947 -2.101 1.00 0.00 O ATOM 647 CB ARG A 40 0.397 -10.297 -4.419 1.00 0.00 C ATOM 648 CG ARG A 40 -0.849 -10.759 -5.139 1.00 0.00 C ATOM 649 CD ARG A 40 -0.514 -11.161 -6.563 1.00 0.00 C ATOM 650 NE ARG A 40 -1.699 -11.508 -7.359 1.00 0.00 N ATOM 651 CZ ARG A 40 -2.650 -12.381 -7.002 1.00 0.00 C ATOM 652 NH1 ARG A 40 -2.537 -13.116 -5.899 1.00 0.00 N ATOM 653 NH2 ARG A 40 -3.707 -12.547 -7.788 1.00 0.00 N ATOM 0 H ARG A 40 2.075 -9.093 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.753 -9.451 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.784 -9.410 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.160 -11.071 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.291 -11.603 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.592 -9.961 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.016 -10.342 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.165 -12.013 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.807 -11.044 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.713 -13.021 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.274 -13.774 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.788 -12.013 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.438 -13.209 -7.527 1.00 0.00 H new ATOM 667 N GLU A 41 1.233 -11.570 -1.456 1.00 0.00 N ATOM 668 CA GLU A 41 1.334 -12.788 -0.664 1.00 0.00 C ATOM 669 C GLU A 41 0.918 -12.531 0.781 1.00 0.00 C ATOM 670 O GLU A 41 0.778 -13.465 1.576 1.00 0.00 O ATOM 671 CB GLU A 41 2.767 -13.321 -0.708 1.00 0.00 C ATOM 672 CG GLU A 41 3.303 -13.498 -2.119 1.00 0.00 C ATOM 673 CD GLU A 41 4.720 -14.025 -2.141 1.00 0.00 C ATOM 674 OE1 GLU A 41 5.651 -13.242 -1.872 1.00 0.00 O ATOM 675 OE2 GLU A 41 4.910 -15.229 -2.428 1.00 0.00 O ATOM 0 H GLU A 41 2.073 -10.992 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 41 0.660 -13.532 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.418 -12.637 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.806 -14.279 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.656 -14.184 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.267 -12.541 -2.640 1.00 0.00 H new ATOM 682 N ALA A 42 0.708 -11.263 1.114 1.00 0.00 N ATOM 683 CA ALA A 42 0.347 -10.873 2.470 1.00 0.00 C ATOM 684 C ALA A 42 -1.141 -11.088 2.723 1.00 0.00 C ATOM 685 O ALA A 42 -1.901 -10.132 2.885 1.00 0.00 O ATOM 686 CB ALA A 42 0.719 -9.425 2.712 1.00 0.00 C ATOM 0 H ALA A 42 0.782 -10.484 0.459 1.00 0.00 H new ATOM 0 HA ALA A 42 0.902 -11.502 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.445 -9.144 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.793 -9.298 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.187 -8.789 2.004 1.00 0.00 H new ATOM 692 N ARG A 43 -1.549 -12.349 2.761 1.00 0.00 N ATOM 693 CA ARG A 43 -2.951 -12.703 2.954 1.00 0.00 C ATOM 694 C ARG A 43 -3.413 -12.393 4.373 1.00 0.00 C ATOM 695 O ARG A 43 -4.611 -12.353 4.651 1.00 0.00 O ATOM 696 CB ARG A 43 -3.170 -14.187 2.654 1.00 0.00 C ATOM 697 CG ARG A 43 -2.898 -14.572 1.208 1.00 0.00 C ATOM 698 CD ARG A 43 -3.042 -16.071 1.003 1.00 0.00 C ATOM 699 NE ARG A 43 -2.842 -16.464 -0.390 1.00 0.00 N ATOM 700 CZ ARG A 43 -2.118 -17.518 -0.766 1.00 0.00 C ATOM 701 NH1 ARG A 43 -1.400 -18.191 0.129 1.00 0.00 N ATOM 702 NH2 ARG A 43 -2.083 -17.869 -2.043 1.00 0.00 N ATOM 0 H ARG A 43 -0.925 -13.150 2.660 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.542 -12.102 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.525 -14.778 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.198 -14.449 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.590 -14.044 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.892 -14.259 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.320 -16.592 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.034 -16.386 1.328 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.282 -15.899 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.402 -17.901 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.847 -18.997 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.609 -17.333 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.530 -18.675 -2.335 1.00 0.00 H new ATOM 716 N MET A 44 -2.458 -12.183 5.270 1.00 0.00 N ATOM 717 CA MET A 44 -2.768 -11.860 6.656 1.00 0.00 C ATOM 718 C MET A 44 -3.200 -10.405 6.786 1.00 0.00 C ATOM 719 O MET A 44 -4.004 -10.063 7.653 1.00 0.00 O ATOM 720 CB MET A 44 -1.556 -12.127 7.552 1.00 0.00 C ATOM 721 CG MET A 44 -1.154 -13.593 7.619 1.00 0.00 C ATOM 722 SD MET A 44 0.321 -13.863 8.618 1.00 0.00 S ATOM 723 CE MET A 44 0.488 -15.643 8.498 1.00 0.00 C ATOM 0 H MET A 44 -1.461 -12.231 5.062 1.00 0.00 H new ATOM 0 HA MET A 44 -3.591 -12.498 6.977 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.710 -11.544 7.187 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.776 -11.774 8.559 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.979 -14.173 8.032 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.977 -13.964 6.609 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.360 -15.966 9.067 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.405 -16.120 8.901 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.611 -15.927 7.453 1.00 0.00 H new ATOM 733 N GLY A 45 -2.667 -9.554 5.917 1.00 0.00 N ATOM 734 CA GLY A 45 -3.005 -8.142 5.959 1.00 0.00 C ATOM 735 C GLY A 45 -2.023 -7.319 6.775 1.00 0.00 C ATOM 736 O GLY A 45 -2.078 -6.094 6.761 1.00 0.00 O ATOM 0 H GLY A 45 -2.007 -9.815 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.039 -7.752 4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.004 -8.026 6.379 1.00 0.00 H new ATOM 740 N ARG A 46 -1.121 -7.991 7.483 1.00 0.00 N ATOM 741 CA ARG A 46 -0.148 -7.315 8.337 1.00 0.00 C ATOM 742 C ARG A 46 0.981 -6.695 7.523 1.00 0.00 C ATOM 743 O ARG A 46 1.592 -5.717 7.943 1.00 0.00 O ATOM 744 CB ARG A 46 0.435 -8.304 9.348 1.00 0.00 C ATOM 745 CG ARG A 46 -0.516 -8.656 10.476 1.00 0.00 C ATOM 746 CD ARG A 46 -0.768 -7.461 11.384 1.00 0.00 C ATOM 747 NE ARG A 46 0.455 -7.019 12.053 1.00 0.00 N ATOM 748 CZ ARG A 46 0.677 -5.777 12.490 1.00 0.00 C ATOM 749 NH1 ARG A 46 -0.239 -4.823 12.339 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.824 -5.501 13.088 1.00 0.00 N ATOM 0 H ARG A 46 -1.043 -9.008 7.483 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.669 -6.513 8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.719 -9.218 8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.346 -7.882 9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.461 -9.005 10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.102 -9.478 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.179 -6.639 10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.516 -7.724 12.132 1.00 0.00 H new ATOM 0 HE ARG A 46 1.192 -7.710 12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.127 -5.036 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.053 -3.879 12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.524 -6.232 13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.008 -4.557 13.427 1.00 0.00 H new ATOM 764 N THR A 47 1.254 -7.265 6.363 1.00 0.00 N ATOM 765 CA THR A 47 2.371 -6.824 5.543 1.00 0.00 C ATOM 766 C THR A 47 1.904 -6.497 4.127 1.00 0.00 C ATOM 767 O THR A 47 2.685 -6.538 3.179 1.00 0.00 O ATOM 768 CB THR A 47 3.455 -7.923 5.489 1.00 0.00 C ATOM 769 OG1 THR A 47 2.888 -9.141 4.986 1.00 0.00 O ATOM 770 CG2 THR A 47 4.041 -8.179 6.870 1.00 0.00 C ATOM 0 H THR A 47 0.717 -8.036 5.966 1.00 0.00 H new ATOM 0 HA THR A 47 2.790 -5.923 5.992 1.00 0.00 H new ATOM 0 HB THR A 47 4.251 -7.581 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.580 -9.834 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.802 -8.957 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.492 -7.262 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.250 -8.502 7.547 1.00 0.00 H new ATOM 778 N ALA A 48 0.630 -6.135 4.002 1.00 0.00 N ATOM 779 CA ALA A 48 -0.004 -5.998 2.696 1.00 0.00 C ATOM 780 C ALA A 48 0.437 -4.739 1.956 1.00 0.00 C ATOM 781 O ALA A 48 0.711 -4.784 0.761 1.00 0.00 O ATOM 782 CB ALA A 48 -1.516 -6.018 2.840 1.00 0.00 C ATOM 0 H ALA A 48 0.017 -5.931 4.791 1.00 0.00 H new ATOM 0 HA ALA A 48 0.318 -6.850 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.976 -5.915 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.826 -6.962 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.832 -5.192 3.477 1.00 0.00 H new ATOM 788 N LEU A 49 0.517 -3.619 2.651 1.00 0.00 N ATOM 789 CA LEU A 49 0.842 -2.362 1.987 1.00 0.00 C ATOM 790 C LEU A 49 2.225 -1.898 2.391 1.00 0.00 C ATOM 791 O LEU A 49 2.443 -1.463 3.520 1.00 0.00 O ATOM 792 CB LEU A 49 -0.187 -1.273 2.306 1.00 0.00 C ATOM 793 CG LEU A 49 -0.027 0.014 1.490 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.331 -0.245 0.022 1.00 0.00 C ATOM 795 CD2 LEU A 49 -0.925 1.108 2.040 1.00 0.00 C ATOM 0 H LEU A 49 0.365 -3.549 3.657 1.00 0.00 H new ATOM 0 HA LEU A 49 0.820 -2.542 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.186 -1.674 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.119 -1.027 3.366 1.00 0.00 H new ATOM 0 HG LEU A 49 1.007 0.349 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.212 0.680 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.357 -0.997 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.355 -0.603 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.798 2.015 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.965 0.785 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.658 1.311 3.077 1.00 0.00 H new ATOM 807 N ILE A 50 3.162 -1.999 1.478 1.00 0.00 N ATOM 808 CA ILE A 50 4.527 -1.629 1.767 1.00 0.00 C ATOM 809 C ILE A 50 4.920 -0.387 0.976 1.00 0.00 C ATOM 810 O ILE A 50 4.959 -0.398 -0.254 1.00 0.00 O ATOM 811 CB ILE A 50 5.479 -2.802 1.482 1.00 0.00 C ATOM 812 CG1 ILE A 50 5.009 -4.024 2.281 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.907 -2.429 1.849 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.750 -5.300 1.971 1.00 0.00 C ATOM 0 H ILE A 50 3.004 -2.335 0.528 1.00 0.00 H new ATOM 0 HA ILE A 50 4.607 -1.389 2.827 1.00 0.00 H new ATOM 0 HB ILE A 50 5.464 -3.039 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.113 -3.808 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.947 -4.180 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.568 -3.271 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.221 -1.567 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.957 -2.182 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.351 -6.110 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.626 -5.546 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.809 -5.168 2.190 1.00 0.00 H new ATOM 826 N ILE A 51 5.175 0.687 1.705 1.00 0.00 N ATOM 827 CA ILE A 51 5.467 1.978 1.107 1.00 0.00 C ATOM 828 C ILE A 51 6.970 2.225 1.065 1.00 0.00 C ATOM 829 O ILE A 51 7.758 1.431 1.592 1.00 0.00 O ATOM 830 CB ILE A 51 4.797 3.125 1.899 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.396 3.222 3.308 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.287 2.915 1.973 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.903 4.410 4.103 1.00 0.00 C ATOM 0 H ILE A 51 5.185 0.688 2.725 1.00 0.00 H new ATOM 0 HA ILE A 51 5.068 1.961 0.093 1.00 0.00 H new ATOM 0 HB ILE A 51 4.987 4.062 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.162 2.309 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.482 3.276 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.833 3.732 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.873 2.893 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.075 1.970 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.372 4.409 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.161 5.331 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.821 4.348 4.217 1.00 0.00 H new ATOM 845 N HIS A 52 7.352 3.324 0.431 1.00 0.00 N ATOM 846 CA HIS A 52 8.734 3.781 0.425 1.00 0.00 C ATOM 847 C HIS A 52 9.192 4.067 1.863 1.00 0.00 C ATOM 848 O HIS A 52 8.393 4.518 2.687 1.00 0.00 O ATOM 849 CB HIS A 52 8.841 5.047 -0.450 1.00 0.00 C ATOM 850 CG HIS A 52 10.171 5.738 -0.393 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.477 6.684 0.556 1.00 0.00 N ATOM 852 CD2 HIS A 52 11.284 5.599 -1.150 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.715 7.095 0.393 1.00 0.00 C ATOM 854 NE2 HIS A 52 12.234 6.455 -0.641 1.00 0.00 N ATOM 0 H HIS A 52 6.714 3.923 -0.093 1.00 0.00 H new ATOM 0 HA HIS A 52 9.382 3.009 0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.632 4.776 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.068 5.751 -0.143 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.839 7.017 1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.404 4.939 -1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.222 7.830 1.000 1.00 0.00 H new ATOM 863 N PRO A 53 10.467 3.765 2.193 1.00 0.00 N ATOM 864 CA PRO A 53 11.065 4.109 3.499 1.00 0.00 C ATOM 865 C PRO A 53 10.953 5.604 3.832 1.00 0.00 C ATOM 866 O PRO A 53 10.238 6.347 3.160 1.00 0.00 O ATOM 867 CB PRO A 53 12.532 3.708 3.332 1.00 0.00 C ATOM 868 CG PRO A 53 12.522 2.655 2.280 1.00 0.00 C ATOM 869 CD PRO A 53 11.408 3.018 1.340 1.00 0.00 C ATOM 0 HA PRO A 53 10.557 3.603 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.143 4.560 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.947 3.330 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.477 2.618 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.359 1.670 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.766 3.626 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.942 2.132 0.909 1.00 0.00 H new ATOM 877 N ARG A 54 11.656 6.036 4.879 1.00 0.00 N ATOM 878 CA ARG A 54 11.583 7.420 5.372 1.00 0.00 C ATOM 879 C ARG A 54 10.252 7.679 6.079 1.00 0.00 C ATOM 880 O ARG A 54 10.215 8.206 7.190 1.00 0.00 O ATOM 881 CB ARG A 54 11.780 8.450 4.248 1.00 0.00 C ATOM 882 CG ARG A 54 11.418 9.867 4.674 1.00 0.00 C ATOM 883 CD ARG A 54 11.692 10.883 3.578 1.00 0.00 C ATOM 884 NE ARG A 54 11.281 12.229 3.976 1.00 0.00 N ATOM 885 CZ ARG A 54 12.122 13.249 4.170 1.00 0.00 C ATOM 886 NH1 ARG A 54 13.437 13.068 4.068 1.00 0.00 N ATOM 887 NH2 ARG A 54 11.646 14.449 4.481 1.00 0.00 N ATOM 0 H ARG A 54 12.292 5.442 5.411 1.00 0.00 H new ATOM 0 HA ARG A 54 12.400 7.540 6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.819 8.429 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.170 8.166 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.363 9.904 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.987 10.133 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.755 10.883 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.161 10.593 2.671 1.00 0.00 H new ATOM 0 HE ARG A 54 10.285 12.401 4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.809 12.146 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.073 13.852 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.640 14.591 4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.286 15.229 4.630 1.00 0.00 H new ATOM 901 N LEU A 55 9.164 7.282 5.432 1.00 0.00 N ATOM 902 CA LEU A 55 7.824 7.507 5.945 1.00 0.00 C ATOM 903 C LEU A 55 7.482 6.554 7.082 1.00 0.00 C ATOM 904 O LEU A 55 6.335 6.483 7.503 1.00 0.00 O ATOM 905 CB LEU A 55 6.802 7.348 4.822 1.00 0.00 C ATOM 906 CG LEU A 55 6.904 8.383 3.705 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.893 8.086 2.610 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.691 9.778 4.269 1.00 0.00 C ATOM 0 H LEU A 55 9.188 6.795 4.536 1.00 0.00 H new ATOM 0 HA LEU A 55 7.791 8.523 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.914 6.355 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.802 7.397 5.252 1.00 0.00 H new ATOM 0 HG LEU A 55 7.901 8.332 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.980 8.834 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.087 7.097 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.886 8.114 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.765 10.511 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.703 9.839 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.452 9.986 5.021 1.00 0.00 H new ATOM 920 N LYS A 56 8.477 5.834 7.575 1.00 0.00 N ATOM 921 CA LYS A 56 8.283 4.914 8.686 1.00 0.00 C ATOM 922 C LYS A 56 7.738 5.662 9.902 1.00 0.00 C ATOM 923 O LYS A 56 6.648 5.360 10.392 1.00 0.00 O ATOM 924 CB LYS A 56 9.605 4.220 9.017 1.00 0.00 C ATOM 925 CG LYS A 56 9.500 3.156 10.094 1.00 0.00 C ATOM 926 CD LYS A 56 10.802 2.387 10.228 1.00 0.00 C ATOM 927 CE LYS A 56 10.765 1.423 11.401 1.00 0.00 C ATOM 928 NZ LYS A 56 9.725 0.370 11.245 1.00 0.00 N ATOM 0 H LYS A 56 9.433 5.869 7.221 1.00 0.00 H new ATOM 0 HA LYS A 56 7.554 4.155 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.999 3.764 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.327 4.972 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.249 3.622 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.690 2.468 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.995 1.834 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.627 3.087 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.741 0.951 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.577 1.980 12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.720 -0.240 12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.792 0.817 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.935 -0.204 10.403 1.00 0.00 H new ATOM 942 N ASP A 57 8.485 6.665 10.349 1.00 0.00 N ATOM 943 CA ASP A 57 8.088 7.485 11.495 1.00 0.00 C ATOM 944 C ASP A 57 6.800 8.243 11.195 1.00 0.00 C ATOM 945 O ASP A 57 5.856 8.239 11.989 1.00 0.00 O ATOM 946 CB ASP A 57 9.192 8.488 11.836 1.00 0.00 C ATOM 947 CG ASP A 57 10.516 7.822 12.140 1.00 0.00 C ATOM 948 OD1 ASP A 57 10.742 7.447 13.309 1.00 0.00 O ATOM 949 OD2 ASP A 57 11.340 7.679 11.210 1.00 0.00 O ATOM 0 H ASP A 57 9.377 6.934 9.933 1.00 0.00 H new ATOM 0 HA ASP A 57 7.922 6.821 12.343 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.320 9.177 11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.884 9.082 12.696 1.00 0.00 H new ATOM 954 N ARG A 58 6.780 8.890 10.038 1.00 0.00 N ATOM 955 CA ARG A 58 5.632 9.674 9.584 1.00 0.00 C ATOM 956 C ARG A 58 4.351 8.839 9.580 1.00 0.00 C ATOM 957 O ARG A 58 3.381 9.163 10.263 1.00 0.00 O ATOM 958 CB ARG A 58 5.926 10.215 8.180 1.00 0.00 C ATOM 959 CG ARG A 58 4.739 10.845 7.468 1.00 0.00 C ATOM 960 CD ARG A 58 4.227 12.089 8.173 1.00 0.00 C ATOM 961 NE ARG A 58 3.275 12.819 7.336 1.00 0.00 N ATOM 962 CZ ARG A 58 2.241 13.514 7.803 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.008 13.576 9.109 1.00 0.00 N ATOM 964 NH2 ARG A 58 1.435 14.149 6.958 1.00 0.00 N ATOM 0 H ARG A 58 7.561 8.888 9.382 1.00 0.00 H new ATOM 0 HA ARG A 58 5.474 10.502 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.721 10.957 8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.307 9.399 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.026 11.102 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.933 10.114 7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.749 11.807 9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.066 12.738 8.425 1.00 0.00 H new ATOM 0 HE ARG A 58 3.413 12.793 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.623 13.089 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.214 14.111 9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.610 14.103 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.642 14.682 7.313 1.00 0.00 H new ATOM 978 N SER A 59 4.363 7.758 8.816 1.00 0.00 N ATOM 979 CA SER A 59 3.196 6.905 8.659 1.00 0.00 C ATOM 980 C SER A 59 2.740 6.290 9.984 1.00 0.00 C ATOM 981 O SER A 59 1.562 5.962 10.133 1.00 0.00 O ATOM 982 CB SER A 59 3.483 5.812 7.632 1.00 0.00 C ATOM 983 OG SER A 59 2.517 4.780 7.687 1.00 0.00 O ATOM 0 H SER A 59 5.179 7.448 8.289 1.00 0.00 H new ATOM 0 HA SER A 59 2.378 7.532 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.496 6.246 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.474 5.394 7.812 1.00 0.00 H new ATOM 0 HG SER A 59 2.963 3.922 7.848 1.00 0.00 H new ATOM 989 N SER A 60 3.660 6.127 10.937 1.00 0.00 N ATOM 990 CA SER A 60 3.316 5.572 12.248 1.00 0.00 C ATOM 991 C SER A 60 2.276 6.435 12.967 1.00 0.00 C ATOM 992 O SER A 60 1.618 5.982 13.902 1.00 0.00 O ATOM 993 CB SER A 60 4.569 5.434 13.118 1.00 0.00 C ATOM 994 OG SER A 60 5.477 4.496 12.561 1.00 0.00 O ATOM 0 H SER A 60 4.644 6.370 10.827 1.00 0.00 H new ATOM 0 HA SER A 60 2.884 4.585 12.083 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.057 6.404 13.215 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.285 5.118 14.122 1.00 0.00 H new ATOM 0 HG SER A 60 5.711 4.769 11.649 1.00 0.00 H new ATOM 1000 N SER A 61 2.120 7.674 12.519 1.00 0.00 N ATOM 1001 CA SER A 61 1.155 8.590 13.115 1.00 0.00 C ATOM 1002 C SER A 61 -0.203 8.477 12.419 1.00 0.00 C ATOM 1003 O SER A 61 -1.105 9.283 12.655 1.00 0.00 O ATOM 1004 CB SER A 61 1.682 10.022 13.020 1.00 0.00 C ATOM 1005 OG SER A 61 3.032 10.093 13.453 1.00 0.00 O ATOM 0 H SER A 61 2.651 8.069 11.743 1.00 0.00 H new ATOM 0 HA SER A 61 1.020 8.324 14.164 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.607 10.374 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.065 10.682 13.629 1.00 0.00 H new ATOM 0 HG SER A 61 3.350 11.017 13.382 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.337 7.474 11.558 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.573 7.241 10.820 1.00 0.00 C ATOM 1013 C LEU A 62 -1.961 5.769 10.899 1.00 0.00 C ATOM 1014 O LEU A 62 -3.081 5.426 11.288 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.404 7.653 9.355 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.109 9.136 9.118 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.751 9.380 7.662 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.303 9.991 9.520 1.00 0.00 C ATOM 0 H LEU A 62 0.403 6.803 11.353 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.363 7.844 11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.595 7.066 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.313 7.390 8.815 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.258 9.419 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.544 10.439 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.133 8.797 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.584 9.079 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.074 11.042 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.172 9.705 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.520 9.839 10.577 1.00 0.00 H new ATOM 1030 N ALA A 63 -1.027 4.905 10.532 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.246 3.467 10.569 1.00 0.00 C ATOM 1032 C ALA A 63 0.039 2.759 10.968 1.00 0.00 C ATOM 1033 O ALA A 63 1.126 3.152 10.540 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.738 2.960 9.220 1.00 0.00 C ATOM 0 H ALA A 63 -0.101 5.178 10.202 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.015 3.250 11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.895 1.883 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.677 3.452 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.994 3.182 8.455 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.085 1.724 11.785 1.00 0.00 N ATOM 1041 CA ASP A 64 1.080 1.035 12.321 1.00 0.00 C ATOM 1042 C ASP A 64 1.739 0.145 11.274 1.00 0.00 C ATOM 1043 O ASP A 64 1.074 -0.623 10.575 1.00 0.00 O ATOM 1044 CB ASP A 64 0.709 0.203 13.554 1.00 0.00 C ATOM 1045 CG ASP A 64 -0.275 -0.916 13.254 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -1.465 -0.615 13.013 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.127 -2.101 13.286 1.00 0.00 O ATOM 0 H ASP A 64 -0.980 1.343 12.091 1.00 0.00 H new ATOM 0 HA ASP A 64 1.796 1.802 12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.616 -0.226 13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.281 0.860 14.311 1.00 0.00 H new ATOM 1052 N PRO A 65 3.060 0.280 11.121 1.00 0.00 N ATOM 1053 CA PRO A 65 3.862 -0.627 10.312 1.00 0.00 C ATOM 1054 C PRO A 65 4.120 -1.932 11.056 1.00 0.00 C ATOM 1055 O PRO A 65 4.284 -1.937 12.279 1.00 0.00 O ATOM 1056 CB PRO A 65 5.179 0.139 10.093 1.00 0.00 C ATOM 1057 CG PRO A 65 4.952 1.506 10.659 1.00 0.00 C ATOM 1058 CD PRO A 65 3.881 1.347 11.695 1.00 0.00 C ATOM 0 HA PRO A 65 3.371 -0.901 9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.009 -0.359 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.430 0.191 9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.866 1.903 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.643 2.205 9.881 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.291 1.069 12.666 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.313 2.266 11.840 1.00 0.00 H new ATOM 1066 N ALA A 66 4.146 -3.034 10.327 1.00 0.00 N ATOM 1067 CA ALA A 66 4.345 -4.339 10.938 1.00 0.00 C ATOM 1068 C ALA A 66 5.807 -4.555 11.314 1.00 0.00 C ATOM 1069 O ALA A 66 6.167 -4.520 12.491 1.00 0.00 O ATOM 1070 CB ALA A 66 3.869 -5.441 10.009 1.00 0.00 C ATOM 0 H ALA A 66 4.032 -3.053 9.314 1.00 0.00 H new ATOM 0 HA ALA A 66 3.753 -4.373 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.026 -6.410 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.808 -5.307 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.431 -5.398 9.076 1.00 0.00 H new ATOM 1076 N SER A 67 6.638 -4.777 10.307 1.00 0.00 N ATOM 1077 CA SER A 67 8.047 -5.033 10.511 1.00 0.00 C ATOM 1078 C SER A 67 8.848 -3.732 10.462 1.00 0.00 C ATOM 1079 O SER A 67 8.344 -2.702 10.007 1.00 0.00 O ATOM 1080 CB SER A 67 8.523 -5.986 9.420 1.00 0.00 C ATOM 1081 OG SER A 67 7.599 -7.046 9.237 1.00 0.00 O ATOM 0 H SER A 67 6.351 -4.784 9.328 1.00 0.00 H new ATOM 0 HA SER A 67 8.200 -5.479 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.648 -5.441 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.500 -6.391 9.686 1.00 0.00 H new ATOM 0 HG SER A 67 7.923 -7.644 8.532 1.00 0.00 H new ATOM 1087 N ASP A 68 10.086 -3.781 10.951 1.00 0.00 N ATOM 1088 CA ASP A 68 10.997 -2.652 10.854 1.00 0.00 C ATOM 1089 C ASP A 68 11.214 -2.306 9.392 1.00 0.00 C ATOM 1090 O ASP A 68 10.735 -1.286 8.896 1.00 0.00 O ATOM 1091 CB ASP A 68 12.340 -2.993 11.504 1.00 0.00 C ATOM 1092 CG ASP A 68 12.210 -3.400 12.954 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.982 -4.597 13.219 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.344 -2.529 13.837 1.00 0.00 O ATOM 0 H ASP A 68 10.479 -4.597 11.420 1.00 0.00 H new ATOM 0 HA ASP A 68 10.562 -1.799 11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.812 -3.802 10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.001 -2.129 11.433 1.00 0.00 H new ATOM 1099 N ILE A 69 11.935 -3.185 8.718 1.00 0.00 N ATOM 1100 CA ILE A 69 12.109 -3.133 7.281 1.00 0.00 C ATOM 1101 C ILE A 69 12.000 -4.551 6.742 1.00 0.00 C ATOM 1102 O ILE A 69 12.529 -5.489 7.342 1.00 0.00 O ATOM 1103 CB ILE A 69 13.477 -2.537 6.860 1.00 0.00 C ATOM 1104 CG1 ILE A 69 14.621 -3.313 7.518 1.00 0.00 C ATOM 1105 CG2 ILE A 69 13.563 -1.058 7.209 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.999 -2.829 7.122 1.00 0.00 C ATOM 0 H ILE A 69 12.421 -3.964 9.161 1.00 0.00 H new ATOM 0 HA ILE A 69 11.337 -2.481 6.872 1.00 0.00 H new ATOM 0 HB ILE A 69 13.568 -2.631 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.519 -3.242 8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.528 -4.367 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.533 -0.668 6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.773 -0.515 6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.445 -0.931 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 69 16.755 -3.428 7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.123 -2.926 6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 69 16.113 -1.783 7.408 1.00 0.00 H new ATOM 1118 N LYS A 70 11.293 -4.725 5.648 1.00 0.00 N ATOM 1119 CA LYS A 70 11.195 -6.040 5.044 1.00 0.00 C ATOM 1120 C LYS A 70 12.086 -6.084 3.817 1.00 0.00 C ATOM 1121 O LYS A 70 12.192 -5.101 3.083 1.00 0.00 O ATOM 1122 CB LYS A 70 9.736 -6.406 4.711 1.00 0.00 C ATOM 1123 CG LYS A 70 9.172 -5.769 3.446 1.00 0.00 C ATOM 1124 CD LYS A 70 9.473 -6.595 2.196 1.00 0.00 C ATOM 1125 CE LYS A 70 8.577 -7.826 2.062 1.00 0.00 C ATOM 1126 NZ LYS A 70 8.836 -8.846 3.114 1.00 0.00 N ATOM 0 H LYS A 70 10.784 -3.987 5.162 1.00 0.00 H new ATOM 0 HA LYS A 70 11.537 -6.790 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.665 -7.489 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.106 -6.119 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.093 -5.653 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.591 -4.770 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.351 -5.966 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.516 -6.912 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.533 -7.517 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.730 -8.276 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.472 -9.768 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.860 -8.917 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.358 -8.566 3.994 1.00 0.00 H new ATOM 1140 N THR A 71 12.727 -7.211 3.598 1.00 0.00 N ATOM 1141 CA THR A 71 13.703 -7.320 2.537 1.00 0.00 C ATOM 1142 C THR A 71 13.107 -7.935 1.284 1.00 0.00 C ATOM 1143 O THR A 71 13.011 -9.151 1.128 1.00 0.00 O ATOM 1144 CB THR A 71 14.914 -8.116 2.982 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.496 -9.360 3.569 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.734 -7.322 3.989 1.00 0.00 C ATOM 0 H THR A 71 12.590 -8.064 4.140 1.00 0.00 H new ATOM 0 HA THR A 71 14.022 -6.306 2.298 1.00 0.00 H new ATOM 0 HB THR A 71 15.534 -8.320 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.867 -9.811 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.599 -7.909 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.071 -6.392 3.531 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.120 -7.096 4.861 1.00 0.00 H new ATOM 1154 N CYS A 72 12.668 -7.054 0.425 1.00 0.00 N ATOM 1155 CA CYS A 72 11.937 -7.428 -0.774 1.00 0.00 C ATOM 1156 C CYS A 72 12.876 -7.884 -1.886 1.00 0.00 C ATOM 1157 O CYS A 72 14.092 -7.947 -1.715 1.00 0.00 O ATOM 1158 CB CYS A 72 11.047 -6.277 -1.253 1.00 0.00 C ATOM 1159 SG CYS A 72 9.811 -6.762 -2.484 1.00 0.00 S ATOM 0 H CYS A 72 12.804 -6.049 0.531 1.00 0.00 H new ATOM 0 HA CYS A 72 11.298 -8.272 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.537 -5.844 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.678 -5.495 -1.676 1.00 0.00 H new ATOM 0 HG CYS A 72 8.979 -5.781 -2.673 1.00 0.00 H new ATOM 1165 N ASP A 73 12.284 -8.184 -3.029 1.00 0.00 N ATOM 1166 CA ASP A 73 13.031 -8.435 -4.251 1.00 0.00 C ATOM 1167 C ASP A 73 12.463 -7.594 -5.400 1.00 0.00 C ATOM 1168 O ASP A 73 13.161 -7.277 -6.358 1.00 0.00 O ATOM 1169 CB ASP A 73 12.969 -9.923 -4.608 1.00 0.00 C ATOM 1170 CG ASP A 73 13.720 -10.248 -5.885 1.00 0.00 C ATOM 1171 OD1 ASP A 73 14.946 -10.488 -5.812 1.00 0.00 O ATOM 1172 OD2 ASP A 73 13.085 -10.276 -6.960 1.00 0.00 O ATOM 0 H ASP A 73 11.273 -8.261 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 73 14.072 -8.153 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.385 -10.507 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.927 -10.224 -4.717 1.00 0.00 H new ATOM 1177 N HIS A 74 11.195 -7.196 -5.274 1.00 0.00 N ATOM 1178 CA HIS A 74 10.471 -6.570 -6.382 1.00 0.00 C ATOM 1179 C HIS A 74 10.467 -5.043 -6.282 1.00 0.00 C ATOM 1180 O HIS A 74 10.508 -4.354 -7.299 1.00 0.00 O ATOM 1181 CB HIS A 74 9.023 -7.081 -6.432 1.00 0.00 C ATOM 1182 CG HIS A 74 8.897 -8.544 -6.744 1.00 0.00 C ATOM 1183 ND1 HIS A 74 7.762 -9.102 -7.294 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.762 -9.571 -6.562 1.00 0.00 C ATOM 1185 CE1 HIS A 74 7.937 -10.402 -7.429 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.141 -10.714 -6.995 1.00 0.00 N ATOM 0 H HIS A 74 10.650 -7.296 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 74 10.994 -6.846 -7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.547 -6.883 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.475 -6.512 -7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.758 -9.502 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.213 -11.096 -7.829 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.544 -11.651 -6.983 1.00 0.00 H new ATOM 1195 N TYR A 75 10.420 -4.511 -5.062 1.00 0.00 N ATOM 1196 CA TYR A 75 10.287 -3.063 -4.872 1.00 0.00 C ATOM 1197 C TYR A 75 11.621 -2.367 -5.130 1.00 0.00 C ATOM 1198 O TYR A 75 12.417 -2.198 -4.211 1.00 0.00 O ATOM 1199 CB TYR A 75 9.828 -2.712 -3.447 1.00 0.00 C ATOM 1200 CG TYR A 75 8.723 -3.578 -2.873 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.837 -4.277 -3.685 1.00 0.00 C ATOM 1202 CD2 TYR A 75 8.577 -3.695 -1.497 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.845 -5.070 -3.139 1.00 0.00 C ATOM 1204 CE2 TYR A 75 7.588 -4.483 -0.947 1.00 0.00 C ATOM 1205 CZ TYR A 75 6.725 -5.169 -1.771 1.00 0.00 C ATOM 1206 OH TYR A 75 5.741 -5.957 -1.226 1.00 0.00 O ATOM 0 H TYR A 75 10.471 -5.051 -4.198 1.00 0.00 H new ATOM 0 HA TYR A 75 9.534 -2.720 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.691 -2.771 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.491 -1.675 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.925 -4.199 -4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.251 -3.159 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.167 -5.610 -3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.491 -4.562 0.126 1.00 0.00 H new ATOM 0 HH TYR A 75 5.378 -6.551 -1.916 1.00 0.00 H new ATOM 1216 N GLN A 76 11.868 -1.969 -6.372 1.00 0.00 N ATOM 1217 CA GLN A 76 13.136 -1.352 -6.728 1.00 0.00 C ATOM 1218 C GLN A 76 13.368 -0.048 -5.961 1.00 0.00 C ATOM 1219 O GLN A 76 14.347 0.058 -5.217 1.00 0.00 O ATOM 1220 CB GLN A 76 13.226 -1.134 -8.246 1.00 0.00 C ATOM 1221 CG GLN A 76 12.043 -0.398 -8.862 1.00 0.00 C ATOM 1222 CD GLN A 76 12.159 -0.249 -10.369 1.00 0.00 C ATOM 1223 OE1 GLN A 76 12.719 0.728 -10.865 1.00 0.00 O ATOM 1224 NE2 GLN A 76 11.628 -1.210 -11.111 1.00 0.00 N ATOM 0 H GLN A 76 11.209 -2.063 -7.145 1.00 0.00 H new ATOM 0 HA GLN A 76 13.932 -2.037 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.136 -0.575 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.324 -2.105 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.124 -0.935 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.961 0.590 -8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.171 -2.005 -10.665 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.676 -1.154 -12.128 1.00 0.00 H new ATOM 1233 N ASN A 77 12.447 0.904 -6.113 1.00 0.00 N ATOM 1234 CA ASN A 77 12.552 2.225 -5.486 1.00 0.00 C ATOM 1235 C ASN A 77 13.931 2.851 -5.690 1.00 0.00 C ATOM 1236 O ASN A 77 14.264 3.301 -6.783 1.00 0.00 O ATOM 1237 CB ASN A 77 12.233 2.161 -3.985 1.00 0.00 C ATOM 1238 CG ASN A 77 10.777 1.864 -3.689 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.953 2.772 -3.589 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.456 0.592 -3.521 1.00 0.00 N ATOM 0 H ASN A 77 11.605 0.782 -6.675 1.00 0.00 H new ATOM 0 HA ASN A 77 11.813 2.857 -5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.854 1.394 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.503 3.111 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.494 0.334 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.170 -0.131 -3.613 1.00 0.00 H new ATOM 1247 N PHE A 78 14.735 2.813 -4.631 1.00 0.00 N ATOM 1248 CA PHE A 78 16.017 3.519 -4.556 1.00 0.00 C ATOM 1249 C PHE A 78 16.891 2.986 -3.407 1.00 0.00 C ATOM 1250 O PHE A 78 18.072 2.707 -3.613 1.00 0.00 O ATOM 1251 CB PHE A 78 15.824 5.037 -4.365 1.00 0.00 C ATOM 1252 CG PHE A 78 15.429 5.785 -5.607 1.00 0.00 C ATOM 1253 CD1 PHE A 78 16.330 5.953 -6.648 1.00 0.00 C ATOM 1254 CD2 PHE A 78 14.159 6.330 -5.731 1.00 0.00 C ATOM 1255 CE1 PHE A 78 15.971 6.647 -7.786 1.00 0.00 C ATOM 1256 CE2 PHE A 78 13.795 7.024 -6.868 1.00 0.00 C ATOM 1257 CZ PHE A 78 14.703 7.183 -7.897 1.00 0.00 C ATOM 0 H PHE A 78 14.514 2.284 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 78 16.518 3.338 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 78 15.062 5.199 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 78 16.752 5.461 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.323 5.536 -6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 78 13.446 6.210 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 78 16.682 6.771 -8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 78 12.803 7.442 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.422 7.726 -8.787 1.00 0.00 H new ATOM 1267 N PRO A 79 16.322 2.845 -2.181 1.00 0.00 N ATOM 1268 CA PRO A 79 17.063 2.452 -0.959 1.00 0.00 C ATOM 1269 C PRO A 79 17.683 1.052 -0.976 1.00 0.00 C ATOM 1270 O PRO A 79 18.050 0.557 0.083 1.00 0.00 O ATOM 1271 CB PRO A 79 16.006 2.533 0.149 1.00 0.00 C ATOM 1272 CG PRO A 79 14.964 3.432 -0.402 1.00 0.00 C ATOM 1273 CD PRO A 79 14.908 3.103 -1.852 1.00 0.00 C ATOM 0 HA PRO A 79 17.925 3.107 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.599 1.549 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.427 2.931 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.001 3.263 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.221 4.479 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.282 2.232 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.500 3.926 -2.438 1.00 0.00 H new ATOM 1281 N LEU A 80 17.735 0.404 -2.147 1.00 0.00 N ATOM 1282 CA LEU A 80 18.398 -0.903 -2.304 1.00 0.00 C ATOM 1283 C LEU A 80 19.625 -0.988 -1.390 1.00 0.00 C ATOM 1284 O LEU A 80 20.591 -0.247 -1.557 1.00 0.00 O ATOM 1285 CB LEU A 80 18.775 -1.107 -3.788 1.00 0.00 C ATOM 1286 CG LEU A 80 19.497 -2.403 -4.167 1.00 0.00 C ATOM 1287 CD1 LEU A 80 20.999 -2.263 -3.975 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.954 -3.576 -3.371 1.00 0.00 C ATOM 0 H LEU A 80 17.323 0.765 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 80 17.718 -1.702 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.860 -1.048 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.405 -0.271 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 80 19.311 -2.598 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.490 -3.196 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.373 -1.456 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.213 -2.036 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.482 -4.486 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.099 -3.392 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.890 -3.694 -3.577 1.00 0.00 H new ATOM 1300 N TYR A 81 19.541 -1.883 -0.411 1.00 0.00 N ATOM 1301 CA TYR A 81 20.500 -1.944 0.685 1.00 0.00 C ATOM 1302 C TYR A 81 21.903 -2.297 0.196 1.00 0.00 C ATOM 1303 O TYR A 81 22.136 -3.392 -0.310 1.00 0.00 O ATOM 1304 CB TYR A 81 20.028 -2.980 1.715 1.00 0.00 C ATOM 1305 CG TYR A 81 20.617 -2.805 3.099 1.00 0.00 C ATOM 1306 CD1 TYR A 81 21.949 -3.101 3.360 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.833 -2.340 4.148 1.00 0.00 C ATOM 1308 CE1 TYR A 81 22.482 -2.940 4.624 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.356 -2.177 5.414 1.00 0.00 C ATOM 1310 CZ TYR A 81 21.681 -2.478 5.647 1.00 0.00 C ATOM 1311 OH TYR A 81 22.207 -2.316 6.910 1.00 0.00 O ATOM 0 H TYR A 81 18.805 -2.587 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 81 20.553 -0.957 1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.942 -2.932 1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.279 -3.976 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 81 22.579 -3.463 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.795 -2.102 3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 81 23.520 -3.174 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.731 -1.816 6.218 1.00 0.00 H new ATOM 0 HH TYR A 81 21.511 -1.982 7.514 1.00 0.00 H new ATOM 1321 N LEU A 82 22.832 -1.364 0.351 1.00 0.00 N ATOM 1322 CA LEU A 82 24.232 -1.627 0.056 1.00 0.00 C ATOM 1323 C LEU A 82 24.892 -2.267 1.269 1.00 0.00 C ATOM 1324 O LEU A 82 25.513 -1.587 2.081 1.00 0.00 O ATOM 1325 CB LEU A 82 24.978 -0.339 -0.337 1.00 0.00 C ATOM 1326 CG LEU A 82 24.977 0.014 -1.831 1.00 0.00 C ATOM 1327 CD1 LEU A 82 25.640 -1.087 -2.640 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.565 0.262 -2.336 1.00 0.00 C ATOM 0 H LEU A 82 22.640 -0.418 0.680 1.00 0.00 H new ATOM 0 HA LEU A 82 24.282 -2.308 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.538 0.493 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 82 26.013 -0.428 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 82 25.548 0.934 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.630 -0.819 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.670 -1.213 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.096 -2.021 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 82 23.596 0.510 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.964 -0.635 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 82 23.121 1.090 -1.783 1.00 0.00 H new ATOM 1340 N GLY A 83 24.708 -3.574 1.413 1.00 0.00 N ATOM 1341 CA GLY A 83 25.249 -4.275 2.559 1.00 0.00 C ATOM 1342 C GLY A 83 26.371 -5.220 2.196 1.00 0.00 C ATOM 1343 O GLY A 83 26.390 -6.373 2.633 1.00 0.00 O ATOM 0 H GLY A 83 24.193 -4.160 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 83 25.614 -3.548 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 83 24.451 -4.836 3.045 1.00 0.00 H new ATOM 1347 N GLY A 84 27.306 -4.728 1.398 1.00 0.00 N ATOM 1348 CA GLY A 84 28.452 -5.526 1.013 1.00 0.00 C ATOM 1349 C GLY A 84 28.115 -6.565 -0.035 1.00 0.00 C ATOM 1350 O GLY A 84 28.214 -6.304 -1.232 1.00 0.00 O ATOM 0 H GLY A 84 27.292 -3.786 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 29.234 -4.870 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 84 28.856 -6.023 1.895 1.00 0.00 H new ATOM 1354 N GLU A 85 27.698 -7.737 0.416 1.00 0.00 N ATOM 1355 CA GLU A 85 27.425 -8.849 -0.483 1.00 0.00 C ATOM 1356 C GLU A 85 26.010 -8.761 -1.038 1.00 0.00 C ATOM 1357 O GLU A 85 25.807 -8.456 -2.212 1.00 0.00 O ATOM 1358 CB GLU A 85 27.616 -10.179 0.251 1.00 0.00 C ATOM 1359 CG GLU A 85 27.476 -11.406 -0.637 1.00 0.00 C ATOM 1360 CD GLU A 85 28.491 -11.425 -1.757 1.00 0.00 C ATOM 1361 OE1 GLU A 85 29.702 -11.469 -1.462 1.00 0.00 O ATOM 1362 OE2 GLU A 85 28.086 -11.389 -2.937 1.00 0.00 O ATOM 0 H GLU A 85 27.540 -7.944 1.402 1.00 0.00 H new ATOM 0 HA GLU A 85 28.126 -8.796 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 85 28.604 -10.188 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 85 26.887 -10.244 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 85 27.591 -12.305 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 85 26.472 -11.433 -1.060 1.00 0.00 H new ATOM 1369 N THR A 86 25.035 -9.025 -0.185 1.00 0.00 N ATOM 1370 CA THR A 86 23.642 -9.020 -0.592 1.00 0.00 C ATOM 1371 C THR A 86 23.093 -7.599 -0.624 1.00 0.00 C ATOM 1372 O THR A 86 23.499 -6.748 0.172 1.00 0.00 O ATOM 1373 CB THR A 86 22.783 -9.887 0.357 1.00 0.00 C ATOM 1374 OG1 THR A 86 21.390 -9.767 0.030 1.00 0.00 O ATOM 1375 CG2 THR A 86 23.005 -9.491 1.811 1.00 0.00 C ATOM 0 H THR A 86 25.185 -9.247 0.799 1.00 0.00 H new ATOM 0 HA THR A 86 23.592 -9.443 -1.595 1.00 0.00 H new ATOM 0 HB THR A 86 23.091 -10.924 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 86 20.913 -9.353 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 86 22.389 -10.117 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 86 24.055 -9.627 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.730 -8.445 1.949 1.00 0.00 H new ATOM 1383 N HIS A 87 22.204 -7.332 -1.573 1.00 0.00 N ATOM 1384 CA HIS A 87 21.498 -6.062 -1.607 1.00 0.00 C ATOM 1385 C HIS A 87 20.005 -6.325 -1.672 1.00 0.00 C ATOM 1386 O HIS A 87 19.486 -6.800 -2.683 1.00 0.00 O ATOM 1387 CB HIS A 87 21.920 -5.173 -2.788 1.00 0.00 C ATOM 1388 CG HIS A 87 23.402 -4.992 -2.941 1.00 0.00 C ATOM 1389 ND1 HIS A 87 24.026 -4.939 -4.166 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.378 -4.815 -2.019 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.318 -4.739 -3.993 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.559 -4.660 -2.700 1.00 0.00 N ATOM 0 H HIS A 87 21.957 -7.976 -2.325 1.00 0.00 H new ATOM 0 HA HIS A 87 21.756 -5.520 -0.697 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.524 -5.603 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.459 -4.193 -2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.250 -4.799 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.054 -4.654 -4.779 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.474 -4.508 -2.275 1.00 0.00 H new ATOM 1401 N GLU A 88 19.324 -6.037 -0.584 1.00 0.00 N ATOM 1402 CA GLU A 88 17.894 -6.259 -0.491 1.00 0.00 C ATOM 1403 C GLU A 88 17.138 -4.946 -0.580 1.00 0.00 C ATOM 1404 O GLU A 88 17.452 -3.978 0.114 1.00 0.00 O ATOM 1405 CB GLU A 88 17.532 -7.004 0.799 1.00 0.00 C ATOM 1406 CG GLU A 88 18.379 -6.630 2.008 1.00 0.00 C ATOM 1407 CD GLU A 88 19.739 -7.301 2.009 1.00 0.00 C ATOM 1408 OE1 GLU A 88 19.795 -8.542 2.155 1.00 0.00 O ATOM 1409 OE2 GLU A 88 20.750 -6.592 1.852 1.00 0.00 O ATOM 0 H GLU A 88 19.742 -5.644 0.259 1.00 0.00 H new ATOM 0 HA GLU A 88 17.599 -6.883 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.485 -6.811 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.627 -8.075 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.514 -5.549 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.844 -6.903 2.918 1.00 0.00 H new ATOM 1416 N HIS A 89 16.165 -4.910 -1.471 1.00 0.00 N ATOM 1417 CA HIS A 89 15.289 -3.757 -1.597 1.00 0.00 C ATOM 1418 C HIS A 89 14.322 -3.742 -0.422 1.00 0.00 C ATOM 1419 O HIS A 89 13.360 -4.503 -0.406 1.00 0.00 O ATOM 1420 CB HIS A 89 14.496 -3.817 -2.908 1.00 0.00 C ATOM 1421 CG HIS A 89 15.322 -3.739 -4.156 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.557 -2.560 -4.837 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.950 -4.708 -4.865 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.292 -2.810 -5.906 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.542 -4.102 -5.944 1.00 0.00 N ATOM 0 H HIS A 89 15.960 -5.669 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 89 15.895 -2.851 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.925 -4.745 -2.927 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.776 -2.999 -2.916 1.00 0.00 H new ATOM 0 HD1 HIS A 89 15.216 -1.640 -4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.979 -5.761 -4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.630 -2.079 -6.626 1.00 0.00 H new ATOM 1434 N TYR A 90 14.570 -2.899 0.568 1.00 0.00 N ATOM 1435 CA TYR A 90 13.754 -2.927 1.774 1.00 0.00 C ATOM 1436 C TYR A 90 12.664 -1.865 1.742 1.00 0.00 C ATOM 1437 O TYR A 90 12.823 -0.803 1.135 1.00 0.00 O ATOM 1438 CB TYR A 90 14.618 -2.778 3.036 1.00 0.00 C ATOM 1439 CG TYR A 90 15.369 -1.467 3.153 1.00 0.00 C ATOM 1440 CD1 TYR A 90 14.770 -0.345 3.715 1.00 0.00 C ATOM 1441 CD2 TYR A 90 16.684 -1.358 2.723 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.461 0.846 3.844 1.00 0.00 C ATOM 1443 CE2 TYR A 90 17.378 -0.171 2.846 1.00 0.00 C ATOM 1444 CZ TYR A 90 16.763 0.926 3.407 1.00 0.00 C ATOM 1445 OH TYR A 90 17.456 2.109 3.541 1.00 0.00 O ATOM 0 H TYR A 90 15.313 -2.200 0.564 1.00 0.00 H new ATOM 0 HA TYR A 90 13.267 -3.902 1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.977 -2.891 3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.339 -3.595 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 90 13.747 -0.405 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 90 17.172 -2.216 2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.982 1.708 4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 90 18.400 -0.103 2.503 1.00 0.00 H new ATOM 0 HH TYR A 90 18.362 1.999 3.185 1.00 0.00 H new ATOM 1455 N GLY A 91 11.551 -2.181 2.390 1.00 0.00 N ATOM 1456 CA GLY A 91 10.437 -1.261 2.478 1.00 0.00 C ATOM 1457 C GLY A 91 9.713 -1.400 3.801 1.00 0.00 C ATOM 1458 O GLY A 91 10.016 -2.310 4.579 1.00 0.00 O ATOM 0 H GLY A 91 11.400 -3.072 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.797 -0.239 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.742 -1.448 1.659 1.00 0.00 H new ATOM 1462 N ILE A 92 8.753 -0.518 4.057 1.00 0.00 N ATOM 1463 CA ILE A 92 8.047 -0.507 5.333 1.00 0.00 C ATOM 1464 C ILE A 92 6.666 -1.153 5.197 1.00 0.00 C ATOM 1465 O ILE A 92 5.773 -0.596 4.549 1.00 0.00 O ATOM 1466 CB ILE A 92 7.884 0.933 5.868 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.208 1.703 5.780 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.390 0.910 7.304 1.00 0.00 C ATOM 1469 CD1 ILE A 92 10.335 1.095 6.592 1.00 0.00 C ATOM 0 H ILE A 92 8.446 0.198 3.399 1.00 0.00 H new ATOM 0 HA ILE A 92 8.646 -1.082 6.039 1.00 0.00 H new ATOM 0 HB ILE A 92 7.147 1.443 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.516 1.757 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.043 2.726 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.280 1.932 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.426 0.403 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.109 0.379 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 92 11.235 1.699 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.051 1.066 7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 92 10.531 0.082 6.241 1.00 0.00 H new ATOM 1481 N PRO A 93 6.476 -2.341 5.801 1.00 0.00 N ATOM 1482 CA PRO A 93 5.215 -3.086 5.729 1.00 0.00 C ATOM 1483 C PRO A 93 4.117 -2.456 6.580 1.00 0.00 C ATOM 1484 O PRO A 93 4.380 -1.934 7.662 1.00 0.00 O ATOM 1485 CB PRO A 93 5.573 -4.478 6.275 1.00 0.00 C ATOM 1486 CG PRO A 93 7.060 -4.489 6.423 1.00 0.00 C ATOM 1487 CD PRO A 93 7.476 -3.059 6.597 1.00 0.00 C ATOM 0 HA PRO A 93 4.821 -3.103 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.084 -4.660 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.242 -5.262 5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.361 -5.089 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.535 -4.928 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.457 -2.755 7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.488 -2.883 6.232 1.00 0.00 H new ATOM 1495 N HIS A 94 2.888 -2.501 6.082 1.00 0.00 N ATOM 1496 CA HIS A 94 1.745 -1.918 6.782 1.00 0.00 C ATOM 1497 C HIS A 94 0.536 -2.830 6.690 1.00 0.00 C ATOM 1498 O HIS A 94 0.578 -3.875 6.038 1.00 0.00 O ATOM 1499 CB HIS A 94 1.369 -0.556 6.184 1.00 0.00 C ATOM 1500 CG HIS A 94 2.348 0.534 6.457 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.568 0.623 5.832 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.274 1.593 7.286 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.204 1.687 6.271 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.440 2.301 7.155 1.00 0.00 N ATOM 0 H HIS A 94 2.654 -2.938 5.190 1.00 0.00 H new ATOM 0 HA HIS A 94 2.037 -1.792 7.825 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.259 -0.666 5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.396 -0.259 6.575 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.924 -0.033 5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.447 1.839 7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.188 2.006 5.960 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.551 -2.386 7.294 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.786 -3.129 7.261 1.00 0.00 C ATOM 1515 C GLY A 95 -2.899 -2.363 7.936 1.00 0.00 C ATOM 1516 O GLY A 95 -2.639 -1.463 8.736 1.00 0.00 O ATOM 0 H GLY A 95 -0.598 -1.510 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.060 -3.339 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.649 -4.090 7.756 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.134 -2.707 7.609 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.285 -1.930 8.048 1.00 0.00 C ATOM 1522 C PHE A 96 -6.378 -2.839 8.578 1.00 0.00 C ATOM 1523 O PHE A 96 -6.147 -4.011 8.844 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.835 -1.102 6.880 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.808 -0.222 6.242 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.543 1.035 6.750 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.097 -0.663 5.139 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.587 1.839 6.169 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.142 0.136 4.552 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.885 1.388 5.068 1.00 0.00 C ATOM 0 H PHE A 96 -4.367 -3.521 7.040 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.961 -1.265 8.849 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.244 -1.776 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.660 -0.486 7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.090 1.391 7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.294 -1.645 4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.387 2.820 6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.596 -0.217 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.135 2.017 4.611 1.00 0.00 H new ATOM 1540 N SER A 97 -7.576 -2.300 8.689 1.00 0.00 N ATOM 1541 CA SER A 97 -8.706 -3.056 9.199 1.00 0.00 C ATOM 1542 C SER A 97 -10.018 -2.505 8.638 1.00 0.00 C ATOM 1543 O SER A 97 -11.101 -2.861 9.099 1.00 0.00 O ATOM 1544 CB SER A 97 -8.713 -2.979 10.726 1.00 0.00 C ATOM 1545 OG SER A 97 -8.511 -1.644 11.168 1.00 0.00 O ATOM 0 H SER A 97 -7.794 -1.337 8.432 1.00 0.00 H new ATOM 0 HA SER A 97 -8.612 -4.096 8.886 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.663 -3.353 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.931 -3.622 11.130 1.00 0.00 H new ATOM 0 HG SER A 97 -8.521 -1.619 12.148 1.00 0.00 H new ATOM 1551 N SER A 98 -9.904 -1.653 7.620 1.00 0.00 N ATOM 1552 CA SER A 98 -11.059 -1.023 7.006 1.00 0.00 C ATOM 1553 C SER A 98 -10.630 -0.232 5.771 1.00 0.00 C ATOM 1554 O SER A 98 -9.529 0.340 5.740 1.00 0.00 O ATOM 1555 CB SER A 98 -11.755 -0.096 8.008 1.00 0.00 C ATOM 1556 OG SER A 98 -12.936 0.460 7.457 1.00 0.00 O ATOM 0 H SER A 98 -9.012 -1.385 7.204 1.00 0.00 H new ATOM 0 HA SER A 98 -11.761 -1.800 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.000 -0.652 8.913 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.075 0.704 8.300 1.00 0.00 H new ATOM 0 HG SER A 98 -13.518 0.773 8.180 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.491 -0.212 4.759 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.219 0.513 3.523 1.00 0.00 C ATOM 1564 C ARG A 99 -11.028 1.999 3.800 1.00 0.00 C ATOM 1565 O ARG A 99 -10.152 2.637 3.224 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.352 0.313 2.512 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.420 -1.087 1.924 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.519 -1.189 0.879 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.455 -2.440 0.129 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.042 -2.628 -1.051 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.810 -1.678 -1.572 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -13.877 -3.775 -1.692 1.00 0.00 N ATOM 0 H ARG A 99 -12.390 -0.694 4.771 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.298 0.113 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.302 0.538 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.231 1.031 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.461 -1.343 1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.602 -1.810 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.490 -1.110 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.440 -0.349 0.188 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.930 -3.215 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.951 -0.803 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.259 -1.824 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.302 -4.511 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.325 -3.923 -2.596 1.00 0.00 H new ATOM 1586 N ILE A 100 -11.849 2.542 4.699 1.00 0.00 N ATOM 1587 CA ILE A 100 -11.778 3.958 5.044 1.00 0.00 C ATOM 1588 C ILE A 100 -10.405 4.320 5.620 1.00 0.00 C ATOM 1589 O ILE A 100 -9.900 5.418 5.397 1.00 0.00 O ATOM 1590 CB ILE A 100 -12.892 4.361 6.041 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -12.848 5.864 6.328 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -12.766 3.579 7.335 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.070 6.724 5.105 1.00 0.00 C ATOM 0 H ILE A 100 -12.569 2.022 5.200 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.929 4.517 4.120 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.852 4.123 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.606 6.105 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.881 6.113 6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.559 3.879 8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.851 2.513 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.797 3.783 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.025 7.776 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.297 6.513 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.049 6.504 4.679 1.00 0.00 H new ATOM 1605 N ALA A 101 -9.793 3.389 6.343 1.00 0.00 N ATOM 1606 CA ALA A 101 -8.475 3.627 6.908 1.00 0.00 C ATOM 1607 C ALA A 101 -7.443 3.720 5.799 1.00 0.00 C ATOM 1608 O ALA A 101 -6.593 4.603 5.810 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.101 2.529 7.889 1.00 0.00 C ATOM 0 H ALA A 101 -10.186 2.471 6.549 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.497 4.572 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.111 2.729 8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.830 2.501 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.094 1.568 7.374 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.533 2.811 4.836 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.657 2.852 3.671 1.00 0.00 C ATOM 1617 C LEU A 102 -6.910 4.128 2.872 1.00 0.00 C ATOM 1618 O LEU A 102 -5.980 4.745 2.349 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.878 1.612 2.798 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.089 1.574 1.485 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.599 1.710 1.747 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.378 0.285 0.732 1.00 0.00 C ATOM 0 H LEU A 102 -8.200 2.040 4.838 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.620 2.854 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.619 0.729 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.940 1.540 2.564 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.406 2.417 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.059 1.680 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.403 2.658 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.265 0.889 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.811 0.272 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.088 -0.568 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.443 0.225 0.508 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.175 4.523 2.804 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.572 5.756 2.135 1.00 0.00 C ATOM 1636 C GLU A 103 -7.870 6.953 2.778 1.00 0.00 C ATOM 1637 O GLU A 103 -7.198 7.740 2.106 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.088 5.941 2.250 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.678 6.817 1.163 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.076 7.291 1.498 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.046 6.570 1.191 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -12.209 8.392 2.078 1.00 0.00 O ATOM 0 H GLU A 103 -8.952 4.001 3.209 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.288 5.692 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.568 4.963 2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.319 6.377 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.032 7.681 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.701 6.262 0.225 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.028 7.063 4.093 1.00 0.00 N ATOM 1650 CA ARG A 104 -7.454 8.165 4.856 1.00 0.00 C ATOM 1651 C ARG A 104 -5.936 8.054 4.931 1.00 0.00 C ATOM 1652 O ARG A 104 -5.243 9.040 5.178 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.052 8.205 6.267 1.00 0.00 C ATOM 1654 CG ARG A 104 -9.566 8.311 6.267 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.123 8.595 7.650 1.00 0.00 C ATOM 1656 NE ARG A 104 -9.979 7.456 8.553 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.650 7.334 9.699 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.501 8.283 10.081 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.480 6.263 10.462 1.00 0.00 N ATOM 0 H ARG A 104 -8.554 6.395 4.657 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.700 9.093 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.756 7.305 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.634 9.053 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.873 9.104 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.993 7.382 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.611 9.459 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.177 8.858 7.567 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.330 6.713 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.642 9.107 9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.013 8.186 10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.834 5.528 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.995 6.174 11.338 1.00 0.00 H new ATOM 1673 N TYR A 105 -5.431 6.849 4.717 1.00 0.00 N ATOM 1674 CA TYR A 105 -3.997 6.606 4.699 1.00 0.00 C ATOM 1675 C TYR A 105 -3.362 7.300 3.499 1.00 0.00 C ATOM 1676 O TYR A 105 -2.407 8.062 3.645 1.00 0.00 O ATOM 1677 CB TYR A 105 -3.723 5.103 4.648 1.00 0.00 C ATOM 1678 CG TYR A 105 -2.259 4.738 4.716 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -1.621 4.591 5.938 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -1.523 4.528 3.559 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -0.286 4.243 6.007 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -0.187 4.182 3.617 1.00 0.00 C ATOM 1683 CZ TYR A 105 0.425 4.040 4.843 1.00 0.00 C ATOM 1684 OH TYR A 105 1.755 3.692 4.905 1.00 0.00 O ATOM 0 H TYR A 105 -5.999 6.018 4.552 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.557 7.013 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.245 4.622 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.144 4.699 3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.176 4.751 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.002 4.637 2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.198 4.131 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.374 4.024 2.708 1.00 0.00 H new ATOM 0 HH TYR A 105 2.103 3.886 5.801 1.00 0.00 H new ATOM 1694 N LEU A 106 -3.910 7.034 2.318 1.00 0.00 N ATOM 1695 CA LEU A 106 -3.445 7.672 1.093 1.00 0.00 C ATOM 1696 C LEU A 106 -3.585 9.184 1.213 1.00 0.00 C ATOM 1697 O LEU A 106 -2.685 9.945 0.849 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.260 7.175 -0.107 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.270 5.660 -0.322 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.201 5.295 -1.470 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -2.862 5.148 -0.594 1.00 0.00 C ATOM 0 H LEU A 106 -4.680 6.378 2.184 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.397 7.415 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.289 7.513 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.871 7.649 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.637 5.185 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.198 4.214 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.213 5.628 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.860 5.781 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.890 4.069 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.467 5.629 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.220 5.379 0.256 1.00 0.00 H new ATOM 1713 N ASN A 107 -4.727 9.591 1.747 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.049 10.996 1.964 1.00 0.00 C ATOM 1715 C ASN A 107 -4.022 11.660 2.875 1.00 0.00 C ATOM 1716 O ASN A 107 -3.327 12.593 2.474 1.00 0.00 O ATOM 1717 CB ASN A 107 -6.449 11.085 2.589 1.00 0.00 C ATOM 1718 CG ASN A 107 -6.996 12.498 2.696 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -6.259 13.458 2.905 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.307 12.631 2.564 1.00 0.00 N ATOM 0 H ASN A 107 -5.463 8.951 2.045 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.030 11.521 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.138 10.485 1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.418 10.643 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.736 13.554 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.888 11.811 2.391 1.00 0.00 H new ATOM 1727 N GLY A 108 -3.924 11.155 4.093 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.071 11.763 5.097 1.00 0.00 C ATOM 1729 C GLY A 108 -1.586 11.667 4.788 1.00 0.00 C ATOM 1730 O GLY A 108 -0.864 12.661 4.884 1.00 0.00 O ATOM 0 H GLY A 108 -4.425 10.325 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.343 12.813 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.263 11.287 6.059 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.124 10.480 4.408 1.00 0.00 N ATOM 1735 CA LEU A 109 0.307 10.236 4.253 1.00 0.00 C ATOM 1736 C LEU A 109 0.874 10.927 3.019 1.00 0.00 C ATOM 1737 O LEU A 109 1.879 11.634 3.102 1.00 0.00 O ATOM 1738 CB LEU A 109 0.594 8.737 4.175 1.00 0.00 C ATOM 1739 CG LEU A 109 2.073 8.365 4.045 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.839 8.764 5.292 1.00 0.00 C ATOM 1741 CD2 LEU A 109 2.227 6.881 3.773 1.00 0.00 C ATOM 0 H LEU A 109 -1.716 9.675 4.202 1.00 0.00 H new ATOM 0 HA LEU A 109 0.796 10.656 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.192 8.259 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.055 8.324 3.323 1.00 0.00 H new ATOM 0 HG LEU A 109 2.491 8.913 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.888 8.490 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.759 9.841 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.421 8.248 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.285 6.635 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.791 6.313 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.716 6.626 2.845 1.00 0.00 H new ATOM 1753 N PHE A 110 0.237 10.721 1.877 1.00 0.00 N ATOM 1754 CA PHE A 110 0.769 11.230 0.620 1.00 0.00 C ATOM 1755 C PHE A 110 0.245 12.631 0.322 1.00 0.00 C ATOM 1756 O PHE A 110 1.005 13.500 -0.113 1.00 0.00 O ATOM 1757 CB PHE A 110 0.436 10.274 -0.526 1.00 0.00 C ATOM 1758 CG PHE A 110 0.943 8.874 -0.295 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.300 8.587 -0.358 1.00 0.00 C ATOM 1760 CD2 PHE A 110 0.061 7.845 -0.013 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.762 7.299 -0.142 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.517 6.559 0.202 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.869 6.286 0.137 1.00 0.00 C ATOM 0 H PHE A 110 -0.642 10.210 1.793 1.00 0.00 H new ATOM 0 HA PHE A 110 1.853 11.296 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.645 10.244 -0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 110 0.865 10.661 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.003 9.377 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.998 8.050 0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.820 7.089 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.184 5.767 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.226 5.281 0.304 1.00 0.00 H new ATOM 1773 N GLY A 111 -1.040 12.849 0.574 1.00 0.00 N ATOM 1774 CA GLY A 111 -1.634 14.144 0.302 1.00 0.00 C ATOM 1775 C GLY A 111 -1.688 14.437 -1.181 1.00 0.00 C ATOM 1776 O GLY A 111 -1.185 15.463 -1.644 1.00 0.00 O ATOM 0 H GLY A 111 -1.680 12.155 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.642 14.176 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.058 14.921 0.805 1.00 0.00 H new ATOM 1780 N ASP A 112 -2.305 13.534 -1.928 1.00 0.00 N ATOM 1781 CA ASP A 112 -2.385 13.645 -3.346 1.00 0.00 C ATOM 1782 C ASP A 112 -3.738 14.230 -3.691 1.00 0.00 C ATOM 1783 O ASP A 112 -4.273 15.058 -2.953 1.00 0.00 O ATOM 1784 CB ASP A 112 -2.198 12.246 -3.954 1.00 0.00 C ATOM 1785 CG ASP A 112 -1.903 12.257 -5.445 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -0.768 12.583 -5.833 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -2.821 11.920 -6.224 1.00 0.00 O ATOM 0 H ASP A 112 -2.762 12.705 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.610 14.297 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.382 11.741 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.100 11.660 -3.776 1.00 0.00 H new TER 1792 ASP A 112