USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 829 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 -153:sc= 1.23 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.0175 K(o=1.2,f=-6.7!) USER MOD Set 2.1: A 52 HIS : no HE2:sc= -0.0997 K(o=-3.3,f=-9.8!) USER MOD Set 2.2: A 77 ASN : amide:sc= -3.18! C(o=-3.3!,f=-5.6!) USER MOD Set 3.1: A 37 TYR OH : rot 165:sc= 0.0479 USER MOD Set 3.2: A 76 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.1!) USER MOD Set 4.1: A 26 THR OG1 : rot 10:sc= 0.365 USER MOD Set 4.2: A 39 ASN : amide:sc= -2.86! C(o=0.92!,f=-1.9!) USER MOD Set 4.3: A 70 LYS NZ :NH3+ -156:sc= 2.49 (180deg=0.217) USER MOD Set 4.4: A 75 TYR OH : rot 110:sc= 0.93 USER MOD Set 5.1: A 23 THR OG1 : rot 12:sc= 0.751 USER MOD Set 5.2: A 74 HIS : no HD1:sc= -1.68 X(o=-0.93,f=-0.63) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.23) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ -98:sc= 1.18 (180deg=-0.667) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.128 K(o=-0.13,f=-4.7!) USER MOD Single : A 35 TYR OH : rot 79:sc= 1.26 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.02) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.652! USER MOD Single : A 71 THR OG1 : rot 136:sc= 1.28 USER MOD Single : A 72 CYS SG : rot 8:sc= 0.262 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-6.3!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0.0826 USER MOD Single : A 107 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.288 -8.672 8.245 1.00 0.00 N ATOM 21 CA TYR A 2 -7.561 -7.628 7.555 1.00 0.00 C ATOM 22 C TYR A 2 -8.099 -7.507 6.138 1.00 0.00 C ATOM 23 O TYR A 2 -8.970 -8.281 5.734 1.00 0.00 O ATOM 24 CB TYR A 2 -6.066 -7.935 7.519 1.00 0.00 C ATOM 25 CG TYR A 2 -5.375 -7.868 8.861 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.276 -8.990 9.670 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.806 -6.684 9.308 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.632 -8.935 10.889 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.154 -6.621 10.522 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.071 -7.749 11.310 1.00 0.00 C ATOM 31 OH TYR A 2 -3.416 -7.693 12.515 1.00 0.00 O ATOM 0 HA TYR A 2 -7.698 -6.688 8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.924 -8.932 7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.581 -7.233 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.710 -9.922 9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.875 -5.797 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.568 -9.817 11.510 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.711 -5.693 10.853 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.078 -6.785 12.662 1.00 0.00 H new ATOM 41 N LEU A 3 -7.589 -6.548 5.391 1.00 0.00 N ATOM 42 CA LEU A 3 -8.004 -6.364 4.015 1.00 0.00 C ATOM 43 C LEU A 3 -7.150 -7.216 3.091 1.00 0.00 C ATOM 44 O LEU A 3 -5.926 -7.240 3.204 1.00 0.00 O ATOM 45 CB LEU A 3 -7.914 -4.888 3.615 1.00 0.00 C ATOM 46 CG LEU A 3 -8.769 -3.936 4.453 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.685 -2.523 3.897 1.00 0.00 C ATOM 48 CD2 LEU A 3 -10.217 -4.411 4.503 1.00 0.00 C ATOM 0 H LEU A 3 -6.886 -5.884 5.714 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.043 -6.680 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.873 -4.572 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.209 -4.792 2.570 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.381 -3.930 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.298 -1.856 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.649 -2.184 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.047 -2.514 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.806 -3.719 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.622 -4.449 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.259 -5.405 4.949 1.00 0.00 H new ATOM 60 N ARG A 4 -7.808 -7.931 2.191 1.00 0.00 N ATOM 61 CA ARG A 4 -7.122 -8.765 1.214 1.00 0.00 C ATOM 62 C ARG A 4 -6.182 -7.926 0.358 1.00 0.00 C ATOM 63 O ARG A 4 -6.438 -6.746 0.132 1.00 0.00 O ATOM 64 CB ARG A 4 -8.136 -9.457 0.303 1.00 0.00 C ATOM 65 CG ARG A 4 -9.124 -10.349 1.029 1.00 0.00 C ATOM 66 CD ARG A 4 -10.115 -10.954 0.052 1.00 0.00 C ATOM 67 NE ARG A 4 -11.085 -11.826 0.697 1.00 0.00 N ATOM 68 CZ ARG A 4 -11.720 -12.807 0.063 1.00 0.00 C ATOM 69 NH1 ARG A 4 -11.427 -13.074 -1.209 1.00 0.00 N ATOM 70 NH2 ARG A 4 -12.635 -13.522 0.704 1.00 0.00 N ATOM 0 H ARG A 4 -8.825 -7.950 2.117 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.545 -9.513 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.689 -8.697 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.597 -10.055 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.590 -11.142 1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.656 -9.772 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.642 -10.153 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.572 -11.520 -0.705 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.288 -11.677 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.717 -12.526 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.913 -13.826 -1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.849 -13.318 1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.124 -14.275 0.221 1.00 0.00 H new ATOM 84 N PRO A 5 -5.089 -8.526 -0.141 1.00 0.00 N ATOM 85 CA PRO A 5 -4.153 -7.836 -1.033 1.00 0.00 C ATOM 86 C PRO A 5 -4.876 -7.242 -2.240 1.00 0.00 C ATOM 87 O PRO A 5 -4.620 -6.105 -2.641 1.00 0.00 O ATOM 88 CB PRO A 5 -3.171 -8.939 -1.467 1.00 0.00 C ATOM 89 CG PRO A 5 -3.813 -10.228 -1.068 1.00 0.00 C ATOM 90 CD PRO A 5 -4.675 -9.910 0.121 1.00 0.00 C ATOM 0 HA PRO A 5 -3.655 -6.997 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.994 -8.905 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.203 -8.816 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.409 -10.636 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.062 -10.977 -0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.530 -10.582 0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.122 -9.997 1.057 1.00 0.00 H new ATOM 98 N ASP A 6 -5.803 -8.020 -2.795 1.00 0.00 N ATOM 99 CA ASP A 6 -6.643 -7.561 -3.898 1.00 0.00 C ATOM 100 C ASP A 6 -7.456 -6.342 -3.472 1.00 0.00 C ATOM 101 O ASP A 6 -7.538 -5.352 -4.194 1.00 0.00 O ATOM 102 CB ASP A 6 -7.607 -8.670 -4.339 1.00 0.00 C ATOM 103 CG ASP A 6 -6.910 -9.958 -4.726 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.526 -10.105 -5.905 1.00 0.00 O ATOM 105 OD2 ASP A 6 -6.765 -10.844 -3.853 1.00 0.00 O ATOM 0 H ASP A 6 -5.992 -8.977 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.990 -7.296 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.308 -8.874 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.194 -8.315 -5.186 1.00 0.00 H new ATOM 110 N GLU A 7 -8.033 -6.432 -2.279 1.00 0.00 N ATOM 111 CA GLU A 7 -8.899 -5.388 -1.734 1.00 0.00 C ATOM 112 C GLU A 7 -8.131 -4.075 -1.557 1.00 0.00 C ATOM 113 O GLU A 7 -8.624 -3.005 -1.915 1.00 0.00 O ATOM 114 CB GLU A 7 -9.469 -5.865 -0.393 1.00 0.00 C ATOM 115 CG GLU A 7 -10.462 -4.913 0.249 1.00 0.00 C ATOM 116 CD GLU A 7 -11.678 -4.660 -0.615 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.391 -5.627 -0.957 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.940 -3.488 -0.940 1.00 0.00 O ATOM 0 H GLU A 7 -7.914 -7.233 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.715 -5.198 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.955 -6.829 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.643 -6.029 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.782 -5.322 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.966 -3.965 0.457 1.00 0.00 H new ATOM 125 N VAL A 8 -6.919 -4.168 -1.017 1.00 0.00 N ATOM 126 CA VAL A 8 -6.074 -2.994 -0.828 1.00 0.00 C ATOM 127 C VAL A 8 -5.786 -2.322 -2.169 1.00 0.00 C ATOM 128 O VAL A 8 -5.935 -1.106 -2.316 1.00 0.00 O ATOM 129 CB VAL A 8 -4.738 -3.358 -0.138 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.863 -2.124 0.042 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.991 -4.029 1.204 1.00 0.00 C ATOM 0 H VAL A 8 -6.501 -5.044 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.618 -2.304 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.209 -4.060 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.930 -2.407 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.645 -1.687 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.387 -1.393 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.038 -4.277 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.548 -3.351 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.568 -4.941 1.052 1.00 0.00 H new ATOM 141 N ALA A 9 -5.386 -3.129 -3.148 1.00 0.00 N ATOM 142 CA ALA A 9 -5.099 -2.633 -4.489 1.00 0.00 C ATOM 143 C ALA A 9 -6.334 -1.985 -5.104 1.00 0.00 C ATOM 144 O ALA A 9 -6.235 -0.986 -5.819 1.00 0.00 O ATOM 145 CB ALA A 9 -4.593 -3.762 -5.373 1.00 0.00 C ATOM 0 H ALA A 9 -5.253 -4.134 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.320 -1.874 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.383 -3.377 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.681 -4.178 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.352 -4.542 -5.437 1.00 0.00 H new ATOM 151 N ARG A 10 -7.495 -2.564 -4.820 1.00 0.00 N ATOM 152 CA ARG A 10 -8.763 -2.025 -5.291 1.00 0.00 C ATOM 153 C ARG A 10 -8.990 -0.612 -4.766 1.00 0.00 C ATOM 154 O ARG A 10 -9.259 0.302 -5.541 1.00 0.00 O ATOM 155 CB ARG A 10 -9.921 -2.932 -4.874 1.00 0.00 C ATOM 156 CG ARG A 10 -9.998 -4.228 -5.664 1.00 0.00 C ATOM 157 CD ARG A 10 -11.121 -5.119 -5.158 1.00 0.00 C ATOM 158 NE ARG A 10 -12.366 -4.370 -4.983 1.00 0.00 N ATOM 159 CZ ARG A 10 -13.264 -4.164 -5.944 1.00 0.00 C ATOM 160 NH1 ARG A 10 -13.068 -4.649 -7.166 1.00 0.00 N ATOM 161 NH2 ARG A 10 -14.356 -3.460 -5.679 1.00 0.00 N ATOM 0 H ARG A 10 -7.583 -3.413 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.722 -1.983 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.822 -3.168 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.858 -2.388 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.156 -4.004 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.049 -4.758 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.283 -5.936 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.830 -5.569 -4.209 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.559 -3.979 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.224 -5.184 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.761 -4.487 -7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.504 -3.080 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.048 -3.298 -6.410 1.00 0.00 H new ATOM 175 N VAL A 11 -8.870 -0.432 -3.456 1.00 0.00 N ATOM 176 CA VAL A 11 -9.060 0.884 -2.850 1.00 0.00 C ATOM 177 C VAL A 11 -8.073 1.894 -3.433 1.00 0.00 C ATOM 178 O VAL A 11 -8.426 3.046 -3.685 1.00 0.00 O ATOM 179 CB VAL A 11 -8.928 0.830 -1.311 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.916 2.227 -0.707 1.00 0.00 C ATOM 181 CG2 VAL A 11 -10.067 0.016 -0.720 1.00 0.00 C ATOM 0 H VAL A 11 -8.643 -1.175 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.074 1.207 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.979 0.351 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.822 2.154 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.072 2.789 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.845 2.739 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.966 -0.017 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.019 0.478 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.034 -0.998 -1.118 1.00 0.00 H new ATOM 191 N LEU A 12 -6.846 1.445 -3.679 1.00 0.00 N ATOM 192 CA LEU A 12 -5.847 2.282 -4.332 1.00 0.00 C ATOM 193 C LEU A 12 -6.342 2.713 -5.710 1.00 0.00 C ATOM 194 O LEU A 12 -6.273 3.889 -6.063 1.00 0.00 O ATOM 195 CB LEU A 12 -4.516 1.537 -4.454 1.00 0.00 C ATOM 196 CG LEU A 12 -3.833 1.202 -3.127 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.590 0.364 -3.367 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.474 2.475 -2.378 1.00 0.00 C ATOM 0 H LEU A 12 -6.521 0.509 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.687 3.171 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.686 0.610 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.834 2.140 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.529 0.625 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.116 0.134 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.868 -0.564 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.892 0.919 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.989 2.219 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.795 3.075 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.380 3.046 -2.176 1.00 0.00 H new ATOM 210 N GLU A 13 -6.866 1.762 -6.472 1.00 0.00 N ATOM 211 CA GLU A 13 -7.409 2.045 -7.797 1.00 0.00 C ATOM 212 C GLU A 13 -8.541 3.065 -7.709 1.00 0.00 C ATOM 213 O GLU A 13 -8.611 4.008 -8.499 1.00 0.00 O ATOM 214 CB GLU A 13 -7.936 0.764 -8.438 1.00 0.00 C ATOM 215 CG GLU A 13 -8.489 0.975 -9.836 1.00 0.00 C ATOM 216 CD GLU A 13 -9.375 -0.163 -10.291 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.849 -1.130 -10.877 1.00 0.00 O ATOM 218 OE2 GLU A 13 -10.605 -0.089 -10.070 1.00 0.00 O ATOM 0 H GLU A 13 -6.927 0.782 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.606 2.455 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.132 0.030 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.718 0.344 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.057 1.905 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.662 1.088 -10.536 1.00 0.00 H new ATOM 225 N LYS A 14 -9.423 2.868 -6.736 1.00 0.00 N ATOM 226 CA LYS A 14 -10.555 3.760 -6.523 1.00 0.00 C ATOM 227 C LYS A 14 -10.092 5.150 -6.099 1.00 0.00 C ATOM 228 O LYS A 14 -10.766 6.148 -6.353 1.00 0.00 O ATOM 229 CB LYS A 14 -11.513 3.174 -5.481 1.00 0.00 C ATOM 230 CG LYS A 14 -12.567 2.249 -6.080 1.00 0.00 C ATOM 231 CD LYS A 14 -11.986 0.900 -6.475 1.00 0.00 C ATOM 232 CE LYS A 14 -12.909 0.134 -7.408 1.00 0.00 C ATOM 233 NZ LYS A 14 -12.869 0.678 -8.790 1.00 0.00 N ATOM 0 H LYS A 14 -9.374 2.091 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.086 3.857 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.937 2.623 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.011 3.990 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.370 2.100 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.009 2.723 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.022 1.049 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.803 0.307 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.621 -0.917 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.930 0.180 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.472 0.099 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.216 1.658 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.891 0.658 -9.143 1.00 0.00 H new ATOM 247 N ALA A 15 -8.935 5.206 -5.459 1.00 0.00 N ATOM 248 CA ALA A 15 -8.324 6.472 -5.072 1.00 0.00 C ATOM 249 C ALA A 15 -7.624 7.142 -6.258 1.00 0.00 C ATOM 250 O ALA A 15 -7.132 8.266 -6.147 1.00 0.00 O ATOM 251 CB ALA A 15 -7.344 6.257 -3.928 1.00 0.00 C ATOM 0 H ALA A 15 -8.394 4.383 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.119 7.138 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.895 7.210 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.872 5.840 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.562 5.566 -4.244 1.00 0.00 H new ATOM 257 N GLY A 16 -7.576 6.447 -7.388 1.00 0.00 N ATOM 258 CA GLY A 16 -6.977 7.009 -8.585 1.00 0.00 C ATOM 259 C GLY A 16 -5.561 6.520 -8.823 1.00 0.00 C ATOM 260 O GLY A 16 -4.801 7.136 -9.568 1.00 0.00 O ATOM 0 H GLY A 16 -7.942 5.501 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.593 6.755 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.972 8.096 -8.506 1.00 0.00 H new ATOM 264 N PHE A 17 -5.195 5.419 -8.183 1.00 0.00 N ATOM 265 CA PHE A 17 -3.871 4.843 -8.360 1.00 0.00 C ATOM 266 C PHE A 17 -3.827 3.914 -9.562 1.00 0.00 C ATOM 267 O PHE A 17 -4.860 3.484 -10.079 1.00 0.00 O ATOM 268 CB PHE A 17 -3.433 4.082 -7.109 1.00 0.00 C ATOM 269 CG PHE A 17 -2.950 4.950 -5.976 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.829 5.755 -5.266 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.611 4.949 -5.614 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.381 6.542 -4.221 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.157 5.736 -4.571 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.043 6.533 -3.873 1.00 0.00 C ATOM 0 H PHE A 17 -5.796 4.907 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.182 5.670 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.270 3.481 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.637 3.390 -7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.876 5.767 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.914 4.325 -6.154 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.076 7.164 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.111 5.727 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.692 7.148 -3.057 1.00 0.00 H new ATOM 284 N THR A 18 -2.616 3.613 -9.996 1.00 0.00 N ATOM 285 CA THR A 18 -2.393 2.812 -11.182 1.00 0.00 C ATOM 286 C THR A 18 -1.302 1.771 -10.926 1.00 0.00 C ATOM 287 O THR A 18 -0.484 1.944 -10.023 1.00 0.00 O ATOM 288 CB THR A 18 -1.954 3.717 -12.343 1.00 0.00 C ATOM 289 OG1 THR A 18 -2.524 5.024 -12.173 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.409 3.145 -13.671 1.00 0.00 C ATOM 0 H THR A 18 -1.760 3.919 -9.534 1.00 0.00 H new ATOM 0 HA THR A 18 -3.323 2.304 -11.436 1.00 0.00 H new ATOM 0 HB THR A 18 -0.866 3.779 -12.341 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.243 5.602 -12.913 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.088 3.802 -14.479 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.971 2.157 -13.811 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.496 3.065 -13.679 1.00 0.00 H new ATOM 298 N VAL A 19 -1.293 0.693 -11.703 1.00 0.00 N ATOM 299 CA VAL A 19 -0.227 -0.295 -11.608 1.00 0.00 C ATOM 300 C VAL A 19 1.037 0.222 -12.301 1.00 0.00 C ATOM 301 O VAL A 19 0.967 0.854 -13.357 1.00 0.00 O ATOM 302 CB VAL A 19 -0.645 -1.659 -12.217 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.859 -1.549 -13.717 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.385 -2.732 -11.898 1.00 0.00 C ATOM 0 H VAL A 19 -2.007 0.483 -12.401 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.022 -0.454 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.593 -1.949 -11.764 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.151 -2.521 -14.115 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.646 -0.822 -13.920 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.066 -1.225 -14.194 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.071 -3.680 -12.335 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.351 -2.444 -12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.473 -2.842 -10.817 1.00 0.00 H new ATOM 314 N ASP A 20 2.181 -0.012 -11.679 1.00 0.00 N ATOM 315 CA ASP A 20 3.462 0.397 -12.242 1.00 0.00 C ATOM 316 C ASP A 20 4.233 -0.825 -12.709 1.00 0.00 C ATOM 317 O ASP A 20 4.736 -0.870 -13.829 1.00 0.00 O ATOM 318 CB ASP A 20 4.282 1.162 -11.201 1.00 0.00 C ATOM 319 CG ASP A 20 5.520 1.805 -11.793 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.413 2.937 -12.313 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.606 1.190 -11.739 1.00 0.00 O ATOM 0 H ASP A 20 2.251 -0.486 -10.778 1.00 0.00 H new ATOM 0 HA ASP A 20 3.277 1.053 -13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.659 1.932 -10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.577 0.480 -10.404 1.00 0.00 H new ATOM 326 N VAL A 21 4.302 -1.824 -11.842 1.00 0.00 N ATOM 327 CA VAL A 21 4.996 -3.061 -12.148 1.00 0.00 C ATOM 328 C VAL A 21 4.218 -4.256 -11.595 1.00 0.00 C ATOM 329 O VAL A 21 3.907 -4.317 -10.404 1.00 0.00 O ATOM 330 CB VAL A 21 6.442 -3.052 -11.589 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.457 -2.740 -10.097 1.00 0.00 C ATOM 332 CG2 VAL A 21 7.140 -4.377 -11.864 1.00 0.00 C ATOM 0 H VAL A 21 3.881 -1.799 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 21 5.059 -3.150 -13.232 1.00 0.00 H new ATOM 0 HB VAL A 21 6.989 -2.262 -12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.485 -2.741 -9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.013 -1.759 -9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.883 -3.496 -9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.153 -4.345 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.586 -5.186 -11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.182 -4.550 -12.939 1.00 0.00 H new ATOM 342 N VAL A 22 3.883 -5.192 -12.464 1.00 0.00 N ATOM 343 CA VAL A 22 3.117 -6.356 -12.055 1.00 0.00 C ATOM 344 C VAL A 22 4.024 -7.574 -11.912 1.00 0.00 C ATOM 345 O VAL A 22 4.783 -7.922 -12.818 1.00 0.00 O ATOM 346 CB VAL A 22 1.958 -6.652 -13.041 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.476 -6.947 -14.441 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.091 -7.792 -12.526 1.00 0.00 C ATOM 0 H VAL A 22 4.128 -5.170 -13.454 1.00 0.00 H new ATOM 0 HA VAL A 22 2.675 -6.134 -11.083 1.00 0.00 H new ATOM 0 HB VAL A 22 1.340 -5.756 -13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.635 -7.150 -15.105 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.032 -6.086 -14.812 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.132 -7.817 -14.410 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.284 -7.983 -13.233 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.698 -8.690 -12.417 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.669 -7.520 -11.559 1.00 0.00 H new ATOM 358 N THR A 23 3.971 -8.191 -10.743 1.00 0.00 N ATOM 359 CA THR A 23 4.707 -9.414 -10.485 1.00 0.00 C ATOM 360 C THR A 23 3.775 -10.437 -9.851 1.00 0.00 C ATOM 361 O THR A 23 2.778 -10.069 -9.225 1.00 0.00 O ATOM 362 CB THR A 23 5.938 -9.168 -9.578 1.00 0.00 C ATOM 363 OG1 THR A 23 5.568 -8.450 -8.400 1.00 0.00 O ATOM 364 CG2 THR A 23 7.016 -8.398 -10.324 1.00 0.00 C ATOM 0 H THR A 23 3.420 -7.859 -9.952 1.00 0.00 H new ATOM 0 HA THR A 23 5.082 -9.794 -11.435 1.00 0.00 H new ATOM 0 HB THR A 23 6.333 -10.142 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.592 -8.437 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.870 -8.238 -9.666 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.333 -8.969 -11.197 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.619 -7.435 -10.645 1.00 0.00 H new ATOM 372 N ASN A 24 4.090 -11.713 -10.008 1.00 0.00 N ATOM 373 CA ASN A 24 3.240 -12.788 -9.496 1.00 0.00 C ATOM 374 C ASN A 24 3.362 -12.890 -7.977 1.00 0.00 C ATOM 375 O ASN A 24 2.827 -13.802 -7.352 1.00 0.00 O ATOM 376 CB ASN A 24 3.639 -14.122 -10.136 1.00 0.00 C ATOM 377 CG ASN A 24 2.566 -15.182 -9.996 1.00 0.00 C ATOM 378 OD1 ASN A 24 1.376 -14.882 -10.035 1.00 0.00 O ATOM 379 ND2 ASN A 24 2.977 -16.430 -9.829 1.00 0.00 N ATOM 0 H ASN A 24 4.931 -12.035 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 24 2.205 -12.561 -9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.852 -13.964 -11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.560 -14.480 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.296 -17.182 -9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.975 -16.639 -9.802 1.00 0.00 H new ATOM 386 N LYS A 25 4.056 -11.931 -7.391 1.00 0.00 N ATOM 387 CA LYS A 25 4.355 -11.947 -5.975 1.00 0.00 C ATOM 388 C LYS A 25 3.928 -10.624 -5.335 1.00 0.00 C ATOM 389 O LYS A 25 3.741 -10.518 -4.113 1.00 0.00 O ATOM 390 CB LYS A 25 5.862 -12.166 -5.839 1.00 0.00 C ATOM 391 CG LYS A 25 6.353 -12.560 -4.461 1.00 0.00 C ATOM 392 CD LYS A 25 7.819 -12.957 -4.538 1.00 0.00 C ATOM 393 CE LYS A 25 8.419 -13.220 -3.173 1.00 0.00 C ATOM 394 NZ LYS A 25 7.800 -14.390 -2.497 1.00 0.00 N ATOM 0 H LYS A 25 4.427 -11.120 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 25 3.812 -12.742 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.162 -12.940 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.371 -11.249 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.226 -11.729 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.760 -13.390 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.919 -13.851 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.381 -12.165 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.491 -13.389 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.295 -12.335 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.075 -14.061 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.360 -15.009 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.531 -14.920 -1.982 1.00 0.00 H new ATOM 408 N THR A 26 3.717 -9.622 -6.179 1.00 0.00 N ATOM 409 CA THR A 26 3.550 -8.259 -5.719 1.00 0.00 C ATOM 410 C THR A 26 2.922 -7.376 -6.808 1.00 0.00 C ATOM 411 O THR A 26 3.230 -7.517 -7.992 1.00 0.00 O ATOM 412 CB THR A 26 4.928 -7.696 -5.303 1.00 0.00 C ATOM 413 OG1 THR A 26 5.357 -8.306 -4.077 1.00 0.00 O ATOM 414 CG2 THR A 26 4.905 -6.189 -5.160 1.00 0.00 C ATOM 0 H THR A 26 3.658 -9.734 -7.191 1.00 0.00 H new ATOM 0 HA THR A 26 2.874 -8.257 -4.864 1.00 0.00 H new ATOM 0 HB THR A 26 5.637 -7.936 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.764 -9.056 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.894 -5.836 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.626 -5.737 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.178 -5.907 -4.398 1.00 0.00 H new ATOM 422 N TYR A 27 2.024 -6.488 -6.410 1.00 0.00 N ATOM 423 CA TYR A 27 1.452 -5.522 -7.337 1.00 0.00 C ATOM 424 C TYR A 27 2.028 -4.137 -7.077 1.00 0.00 C ATOM 425 O TYR A 27 1.693 -3.496 -6.082 1.00 0.00 O ATOM 426 CB TYR A 27 -0.072 -5.470 -7.215 1.00 0.00 C ATOM 427 CG TYR A 27 -0.785 -6.710 -7.703 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.112 -6.859 -9.045 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.149 -7.722 -6.822 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.775 -7.982 -9.496 1.00 0.00 C ATOM 431 CE2 TYR A 27 -1.816 -8.847 -7.266 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.128 -8.973 -8.601 1.00 0.00 C ATOM 433 OH TYR A 27 -2.802 -10.090 -9.037 1.00 0.00 O ATOM 0 H TYR A 27 1.676 -6.416 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 27 1.708 -5.841 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.334 -5.304 -6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.439 -4.611 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.843 -6.083 -9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.906 -7.627 -5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.017 -8.086 -10.544 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.092 -9.625 -6.569 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.971 -10.687 -8.278 1.00 0.00 H new ATOM 443 N GLY A 28 2.908 -3.692 -7.957 1.00 0.00 N ATOM 444 CA GLY A 28 3.457 -2.358 -7.838 1.00 0.00 C ATOM 445 C GLY A 28 2.431 -1.313 -8.211 1.00 0.00 C ATOM 446 O GLY A 28 1.974 -1.269 -9.350 1.00 0.00 O ATOM 0 H GLY A 28 3.253 -4.230 -8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.796 -2.191 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.330 -2.262 -8.483 1.00 0.00 H new ATOM 450 N TYR A 29 2.067 -0.486 -7.255 1.00 0.00 N ATOM 451 CA TYR A 29 1.008 0.490 -7.432 1.00 0.00 C ATOM 452 C TYR A 29 1.535 1.901 -7.187 1.00 0.00 C ATOM 453 O TYR A 29 2.381 2.107 -6.322 1.00 0.00 O ATOM 454 CB TYR A 29 -0.134 0.160 -6.472 1.00 0.00 C ATOM 455 CG TYR A 29 -1.368 -0.398 -7.152 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.443 -1.743 -7.499 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.459 0.415 -7.442 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.567 -2.260 -8.115 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.589 -0.095 -8.056 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.637 -1.432 -8.389 1.00 0.00 C ATOM 461 OH TYR A 29 -4.761 -1.946 -8.995 1.00 0.00 O ATOM 0 H TYR A 29 2.497 -0.470 -6.330 1.00 0.00 H new ATOM 0 HA TYR A 29 0.639 0.449 -8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.221 -0.562 -5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.409 1.063 -5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.609 -2.394 -7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.423 1.463 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.608 -3.306 -8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.428 0.550 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.422 -1.233 -9.117 1.00 0.00 H new ATOM 471 N ARG A 30 1.054 2.866 -7.959 1.00 0.00 N ATOM 472 CA ARG A 30 1.536 4.237 -7.838 1.00 0.00 C ATOM 473 C ARG A 30 0.516 5.245 -8.349 1.00 0.00 C ATOM 474 O ARG A 30 -0.344 4.915 -9.167 1.00 0.00 O ATOM 475 CB ARG A 30 2.863 4.393 -8.596 1.00 0.00 C ATOM 476 CG ARG A 30 2.809 3.987 -10.065 1.00 0.00 C ATOM 477 CD ARG A 30 2.339 5.113 -10.968 1.00 0.00 C ATOM 478 NE ARG A 30 2.467 4.759 -12.381 1.00 0.00 N ATOM 479 CZ ARG A 30 1.595 5.115 -13.322 1.00 0.00 C ATOM 480 NH1 ARG A 30 0.503 5.793 -13.001 1.00 0.00 N ATOM 481 NH2 ARG A 30 1.811 4.781 -14.588 1.00 0.00 N ATOM 0 H ARG A 30 0.336 2.728 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 30 1.695 4.442 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.182 5.433 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.624 3.795 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.799 3.660 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.140 3.134 -10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.299 5.349 -10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.921 6.011 -10.763 1.00 0.00 H new ATOM 0 HE ARG A 30 3.275 4.204 -12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.327 6.045 -12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.161 6.063 -13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.645 4.251 -14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.143 5.054 -15.309 1.00 0.00 H new ATOM 495 N ARG A 31 0.611 6.470 -7.852 1.00 0.00 N ATOM 496 CA ARG A 31 -0.197 7.573 -8.366 1.00 0.00 C ATOM 497 C ARG A 31 0.681 8.804 -8.533 1.00 0.00 C ATOM 498 O ARG A 31 0.693 9.704 -7.690 1.00 0.00 O ATOM 499 CB ARG A 31 -1.383 7.885 -7.444 1.00 0.00 C ATOM 500 CG ARG A 31 -2.376 8.866 -8.048 1.00 0.00 C ATOM 501 CD ARG A 31 -3.551 9.133 -7.119 1.00 0.00 C ATOM 502 NE ARG A 31 -3.165 9.904 -5.937 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.028 10.322 -5.006 1.00 0.00 C ATOM 504 NH1 ARG A 31 -5.313 10.000 -5.086 1.00 0.00 N ATOM 505 NH2 ARG A 31 -3.607 11.047 -3.977 1.00 0.00 N ATOM 0 H ARG A 31 1.240 6.728 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.606 7.278 -9.332 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.901 6.957 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.007 8.292 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.869 9.805 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.745 8.472 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.326 9.672 -7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.985 8.184 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.179 10.136 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.648 9.429 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.965 10.323 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.620 11.288 -3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.271 11.363 -3.270 1.00 0.00 H new ATOM 519 N GLY A 32 1.434 8.826 -9.617 1.00 0.00 N ATOM 520 CA GLY A 32 2.403 9.872 -9.819 1.00 0.00 C ATOM 521 C GLY A 32 3.774 9.450 -9.338 1.00 0.00 C ATOM 522 O GLY A 32 4.375 8.539 -9.902 1.00 0.00 O ATOM 0 H GLY A 32 1.390 8.133 -10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.449 10.129 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.089 10.770 -9.287 1.00 0.00 H new ATOM 526 N GLU A 33 4.247 10.080 -8.274 1.00 0.00 N ATOM 527 CA GLU A 33 5.581 9.804 -7.758 1.00 0.00 C ATOM 528 C GLU A 33 5.543 9.108 -6.402 1.00 0.00 C ATOM 529 O GLU A 33 6.564 9.002 -5.720 1.00 0.00 O ATOM 530 CB GLU A 33 6.388 11.097 -7.675 1.00 0.00 C ATOM 531 CG GLU A 33 7.065 11.456 -8.982 1.00 0.00 C ATOM 532 CD GLU A 33 8.141 10.459 -9.356 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.304 10.651 -8.927 1.00 0.00 O ATOM 534 OE2 GLU A 33 7.837 9.481 -10.067 1.00 0.00 O ATOM 0 H GLU A 33 3.729 10.785 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 33 6.067 9.120 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.728 11.912 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.144 10.998 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.320 11.500 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.504 12.450 -8.902 1.00 0.00 H new ATOM 541 N ASN A 34 4.374 8.628 -6.011 1.00 0.00 N ATOM 542 CA ASN A 34 4.261 7.829 -4.800 1.00 0.00 C ATOM 543 C ASN A 34 4.087 6.358 -5.162 1.00 0.00 C ATOM 544 O ASN A 34 3.122 5.974 -5.828 1.00 0.00 O ATOM 545 CB ASN A 34 3.129 8.327 -3.882 1.00 0.00 C ATOM 546 CG ASN A 34 1.823 8.626 -4.599 1.00 0.00 C ATOM 547 OD1 ASN A 34 1.480 8.006 -5.598 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.086 9.597 -4.082 1.00 0.00 N ATOM 0 H ASN A 34 3.496 8.775 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 34 5.185 7.940 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.944 7.576 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.463 9.230 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.199 9.851 -4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.405 10.091 -3.249 1.00 0.00 H new ATOM 555 N TYR A 35 5.054 5.547 -4.746 1.00 0.00 N ATOM 556 CA TYR A 35 5.066 4.132 -5.087 1.00 0.00 C ATOM 557 C TYR A 35 4.740 3.278 -3.870 1.00 0.00 C ATOM 558 O TYR A 35 5.293 3.487 -2.787 1.00 0.00 O ATOM 559 CB TYR A 35 6.438 3.711 -5.626 1.00 0.00 C ATOM 560 CG TYR A 35 6.988 4.587 -6.731 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.282 4.792 -7.912 1.00 0.00 C ATOM 562 CD2 TYR A 35 8.230 5.194 -6.598 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.798 5.579 -8.924 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.749 5.984 -7.604 1.00 0.00 C ATOM 565 CZ TYR A 35 8.033 6.173 -8.764 1.00 0.00 C ATOM 566 OH TYR A 35 8.560 6.948 -9.771 1.00 0.00 O ATOM 0 H TYR A 35 5.841 5.848 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 35 4.308 3.978 -5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.149 3.704 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.368 2.688 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.315 4.329 -8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.799 5.045 -5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.238 5.728 -9.835 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.714 6.452 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 35 8.142 7.834 -9.754 1.00 0.00 H new ATOM 576 N VAL A 36 3.840 2.325 -4.056 1.00 0.00 N ATOM 577 CA VAL A 36 3.530 1.341 -3.034 1.00 0.00 C ATOM 578 C VAL A 36 3.500 -0.052 -3.655 1.00 0.00 C ATOM 579 O VAL A 36 3.143 -0.216 -4.818 1.00 0.00 O ATOM 580 CB VAL A 36 2.176 1.623 -2.333 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.234 2.914 -1.538 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.034 1.674 -3.337 1.00 0.00 C ATOM 0 H VAL A 36 3.306 2.213 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 36 4.311 1.403 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 36 1.988 0.800 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.272 3.088 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.012 2.839 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.460 3.744 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.099 1.873 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.221 2.467 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.963 0.718 -3.856 1.00 0.00 H new ATOM 592 N TYR A 37 3.896 -1.048 -2.893 1.00 0.00 N ATOM 593 CA TYR A 37 3.897 -2.414 -3.376 1.00 0.00 C ATOM 594 C TYR A 37 2.844 -3.219 -2.640 1.00 0.00 C ATOM 595 O TYR A 37 2.942 -3.424 -1.428 1.00 0.00 O ATOM 596 CB TYR A 37 5.274 -3.052 -3.183 1.00 0.00 C ATOM 597 CG TYR A 37 6.391 -2.322 -3.893 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.444 -2.270 -5.281 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.395 -1.690 -3.173 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.468 -1.609 -5.929 1.00 0.00 C ATOM 601 CE2 TYR A 37 8.422 -1.030 -3.814 1.00 0.00 C ATOM 602 CZ TYR A 37 8.456 -0.991 -5.190 1.00 0.00 C ATOM 603 OH TYR A 37 9.486 -0.336 -5.832 1.00 0.00 O ATOM 0 H TYR A 37 4.223 -0.938 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 37 3.666 -2.408 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.499 -3.092 -2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.240 -4.081 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.672 -2.754 -5.861 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.372 -1.716 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.496 -1.576 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.197 -0.545 -3.239 1.00 0.00 H new ATOM 0 HH TYR A 37 9.959 0.236 -5.192 1.00 0.00 H new ATOM 613 N VAL A 38 1.822 -3.645 -3.363 1.00 0.00 N ATOM 614 CA VAL A 38 0.781 -4.472 -2.786 1.00 0.00 C ATOM 615 C VAL A 38 1.233 -5.924 -2.763 1.00 0.00 C ATOM 616 O VAL A 38 1.289 -6.598 -3.795 1.00 0.00 O ATOM 617 CB VAL A 38 -0.553 -4.347 -3.548 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.638 -5.161 -2.864 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.967 -2.888 -3.669 1.00 0.00 C ATOM 0 H VAL A 38 1.693 -3.430 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 38 0.607 -4.121 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.413 -4.744 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.572 -5.060 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.344 -6.210 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.778 -4.798 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.911 -2.821 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.088 -2.460 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.199 -2.336 -4.210 1.00 0.00 H new ATOM 629 N ASN A 39 1.577 -6.386 -1.581 1.00 0.00 N ATOM 630 CA ASN A 39 2.104 -7.721 -1.391 1.00 0.00 C ATOM 631 C ASN A 39 0.982 -8.745 -1.427 1.00 0.00 C ATOM 632 O ASN A 39 0.057 -8.680 -0.620 1.00 0.00 O ATOM 633 CB ASN A 39 2.815 -7.793 -0.042 1.00 0.00 C ATOM 634 CG ASN A 39 3.673 -9.030 0.113 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.827 -9.557 1.215 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.253 -9.492 -0.985 1.00 0.00 N ATOM 0 H ASN A 39 1.499 -5.844 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 39 2.806 -7.943 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.439 -6.908 0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.072 -7.772 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.854 -10.315 -0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.099 -9.025 -1.879 1.00 0.00 H new ATOM 643 N ARG A 40 1.053 -9.703 -2.348 1.00 0.00 N ATOM 644 CA ARG A 40 0.020 -10.729 -2.402 1.00 0.00 C ATOM 645 C ARG A 40 0.419 -11.910 -1.529 1.00 0.00 C ATOM 646 O ARG A 40 -0.218 -12.962 -1.545 1.00 0.00 O ATOM 647 CB ARG A 40 -0.273 -11.176 -3.839 1.00 0.00 C ATOM 648 CG ARG A 40 0.870 -11.904 -4.524 1.00 0.00 C ATOM 649 CD ARG A 40 0.483 -12.337 -5.930 1.00 0.00 C ATOM 650 NE ARG A 40 -0.612 -13.309 -5.926 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.034 -13.971 -7.003 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.427 -13.809 -8.166 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.051 -14.816 -6.904 1.00 0.00 N ATOM 0 H ARG A 40 1.791 -9.789 -3.046 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.904 -10.299 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.147 -11.827 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.534 -10.299 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.744 -11.254 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.152 -12.778 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.188 -11.462 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.351 -12.771 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.083 -13.492 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.368 -13.175 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.754 -14.318 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.510 -14.959 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.375 -15.323 -7.728 1.00 0.00 H new ATOM 667 N GLU A 41 1.473 -11.708 -0.746 1.00 0.00 N ATOM 668 CA GLU A 41 1.917 -12.690 0.232 1.00 0.00 C ATOM 669 C GLU A 41 1.224 -12.434 1.564 1.00 0.00 C ATOM 670 O GLU A 41 1.615 -12.981 2.595 1.00 0.00 O ATOM 671 CB GLU A 41 3.428 -12.608 0.431 1.00 0.00 C ATOM 672 CG GLU A 41 4.235 -12.768 -0.843 1.00 0.00 C ATOM 673 CD GLU A 41 5.712 -12.538 -0.606 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.142 -11.365 -0.600 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.447 -13.526 -0.424 1.00 0.00 O ATOM 0 H GLU A 41 2.041 -10.861 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 41 1.662 -13.684 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.671 -11.647 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.732 -13.379 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.083 -13.769 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.873 -12.064 -1.593 1.00 0.00 H new ATOM 682 N ALA A 42 0.209 -11.574 1.539 1.00 0.00 N ATOM 683 CA ALA A 42 -0.558 -11.265 2.731 1.00 0.00 C ATOM 684 C ALA A 42 -1.374 -12.475 3.169 1.00 0.00 C ATOM 685 O ALA A 42 -2.558 -12.591 2.857 1.00 0.00 O ATOM 686 CB ALA A 42 -1.455 -10.061 2.490 1.00 0.00 C ATOM 0 H ALA A 42 -0.098 -11.080 0.701 1.00 0.00 H new ATOM 0 HA ALA A 42 0.134 -11.015 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.023 -9.844 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.843 -9.198 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.143 -10.278 1.673 1.00 0.00 H new ATOM 692 N ARG A 43 -0.708 -13.378 3.881 1.00 0.00 N ATOM 693 CA ARG A 43 -1.300 -14.633 4.333 1.00 0.00 C ATOM 694 C ARG A 43 -2.534 -14.388 5.189 1.00 0.00 C ATOM 695 O ARG A 43 -3.493 -15.153 5.143 1.00 0.00 O ATOM 696 CB ARG A 43 -0.261 -15.433 5.119 1.00 0.00 C ATOM 697 CG ARG A 43 1.026 -15.664 4.341 1.00 0.00 C ATOM 698 CD ARG A 43 2.107 -16.285 5.209 1.00 0.00 C ATOM 699 NE ARG A 43 1.767 -17.640 5.629 1.00 0.00 N ATOM 700 CZ ARG A 43 2.381 -18.289 6.618 1.00 0.00 C ATOM 701 NH1 ARG A 43 3.341 -17.694 7.318 1.00 0.00 N ATOM 702 NH2 ARG A 43 2.031 -19.534 6.907 1.00 0.00 N ATOM 0 H ARG A 43 0.265 -13.259 4.163 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.613 -15.201 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.030 -14.906 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.688 -16.396 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.824 -16.315 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.383 -14.716 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.047 -16.303 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.265 -15.663 6.090 1.00 0.00 H new ATOM 0 HE ARG A 43 1.014 -18.120 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.612 -16.735 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.807 -18.196 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.293 -19.993 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.499 -20.033 7.663 1.00 0.00 H new ATOM 716 N MET A 44 -2.506 -13.314 5.966 1.00 0.00 N ATOM 717 CA MET A 44 -3.635 -12.961 6.817 1.00 0.00 C ATOM 718 C MET A 44 -4.222 -11.624 6.382 1.00 0.00 C ATOM 719 O MET A 44 -4.984 -11.003 7.119 1.00 0.00 O ATOM 720 CB MET A 44 -3.200 -12.890 8.284 1.00 0.00 C ATOM 721 CG MET A 44 -2.589 -14.180 8.809 1.00 0.00 C ATOM 722 SD MET A 44 -3.727 -15.578 8.736 1.00 0.00 S ATOM 723 CE MET A 44 -2.683 -16.897 9.354 1.00 0.00 C ATOM 0 H MET A 44 -1.715 -12.673 6.025 1.00 0.00 H new ATOM 0 HA MET A 44 -4.398 -13.733 6.717 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.476 -12.083 8.399 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.064 -12.633 8.897 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.696 -14.415 8.230 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.270 -14.031 9.841 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.246 -17.830 9.369 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.814 -17.008 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.353 -16.656 10.364 1.00 0.00 H new ATOM 733 N GLY A 45 -3.863 -11.197 5.174 1.00 0.00 N ATOM 734 CA GLY A 45 -4.273 -9.892 4.679 1.00 0.00 C ATOM 735 C GLY A 45 -3.571 -8.756 5.406 1.00 0.00 C ATOM 736 O GLY A 45 -3.961 -7.597 5.297 1.00 0.00 O ATOM 0 H GLY A 45 -3.291 -11.736 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.059 -9.826 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.351 -9.784 4.795 1.00 0.00 H new ATOM 740 N ARG A 46 -2.518 -9.095 6.137 1.00 0.00 N ATOM 741 CA ARG A 46 -1.833 -8.132 6.983 1.00 0.00 C ATOM 742 C ARG A 46 -0.877 -7.259 6.175 1.00 0.00 C ATOM 743 O ARG A 46 -1.207 -6.127 5.834 1.00 0.00 O ATOM 744 CB ARG A 46 -1.078 -8.868 8.093 1.00 0.00 C ATOM 745 CG ARG A 46 -0.509 -7.961 9.169 1.00 0.00 C ATOM 746 CD ARG A 46 0.193 -8.775 10.240 1.00 0.00 C ATOM 747 NE ARG A 46 0.625 -7.963 11.373 1.00 0.00 N ATOM 748 CZ ARG A 46 1.381 -8.428 12.364 1.00 0.00 C ATOM 749 NH1 ARG A 46 1.825 -9.681 12.331 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.696 -7.642 13.385 1.00 0.00 N ATOM 0 H ARG A 46 -2.120 -10.034 6.160 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.579 -7.474 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.751 -9.587 8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.263 -9.438 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.192 -7.255 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.310 -7.374 9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.478 -9.557 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.059 -9.272 9.803 1.00 0.00 H new ATOM 0 HE ARG A 46 0.332 -6.987 11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.586 -10.286 11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.405 -10.037 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.358 -6.680 13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.276 -8.000 14.144 1.00 0.00 H new ATOM 764 N THR A 47 0.283 -7.807 5.834 1.00 0.00 N ATOM 765 CA THR A 47 1.359 -7.039 5.216 1.00 0.00 C ATOM 766 C THR A 47 1.125 -6.789 3.724 1.00 0.00 C ATOM 767 O THR A 47 2.052 -6.884 2.923 1.00 0.00 O ATOM 768 CB THR A 47 2.696 -7.777 5.401 1.00 0.00 C ATOM 769 OG1 THR A 47 2.528 -9.167 5.088 1.00 0.00 O ATOM 770 CG2 THR A 47 3.215 -7.629 6.826 1.00 0.00 C ATOM 0 H THR A 47 0.505 -8.792 5.977 1.00 0.00 H new ATOM 0 HA THR A 47 1.383 -6.069 5.712 1.00 0.00 H new ATOM 0 HB THR A 47 3.427 -7.333 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.382 -9.634 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.161 -8.161 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.367 -6.573 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.488 -8.047 7.523 1.00 0.00 H new ATOM 778 N ALA A 48 -0.104 -6.446 3.362 1.00 0.00 N ATOM 779 CA ALA A 48 -0.460 -6.235 1.965 1.00 0.00 C ATOM 780 C ALA A 48 0.062 -4.901 1.431 1.00 0.00 C ATOM 781 O ALA A 48 0.503 -4.817 0.288 1.00 0.00 O ATOM 782 CB ALA A 48 -1.964 -6.323 1.788 1.00 0.00 C ATOM 0 H ALA A 48 -0.873 -6.308 4.018 1.00 0.00 H new ATOM 0 HA ALA A 48 0.018 -7.024 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.217 -6.164 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.310 -7.309 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.447 -5.560 2.398 1.00 0.00 H new ATOM 788 N LEU A 49 0.021 -3.862 2.250 1.00 0.00 N ATOM 789 CA LEU A 49 0.412 -2.535 1.785 1.00 0.00 C ATOM 790 C LEU A 49 1.816 -2.184 2.250 1.00 0.00 C ATOM 791 O LEU A 49 2.048 -1.896 3.429 1.00 0.00 O ATOM 792 CB LEU A 49 -0.570 -1.461 2.253 1.00 0.00 C ATOM 793 CG LEU A 49 -0.273 -0.057 1.710 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.394 -0.030 0.193 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.196 0.972 2.335 1.00 0.00 C ATOM 0 H LEU A 49 -0.274 -3.906 3.225 1.00 0.00 H new ATOM 0 HA LEU A 49 0.396 -2.563 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.577 -1.749 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.561 -1.426 3.342 1.00 0.00 H new ATOM 0 HG LEU A 49 0.752 0.198 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.179 0.975 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.317 -0.733 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.406 -0.312 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.965 1.959 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.231 0.720 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.056 0.978 3.416 1.00 0.00 H new ATOM 807 N ILE A 50 2.743 -2.208 1.314 1.00 0.00 N ATOM 808 CA ILE A 50 4.132 -1.909 1.598 1.00 0.00 C ATOM 809 C ILE A 50 4.570 -0.667 0.832 1.00 0.00 C ATOM 810 O ILE A 50 4.562 -0.649 -0.392 1.00 0.00 O ATOM 811 CB ILE A 50 5.014 -3.113 1.224 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.538 -4.342 1.999 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.474 -2.818 1.515 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.141 -5.639 1.530 1.00 0.00 C ATOM 0 H ILE A 50 2.556 -2.435 0.337 1.00 0.00 H new ATOM 0 HA ILE A 50 4.243 -1.712 2.664 1.00 0.00 H new ATOM 0 HB ILE A 50 4.926 -3.309 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.773 -4.206 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.453 -4.409 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.081 -3.682 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.793 -1.953 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.598 -2.607 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.751 -6.460 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.884 -5.802 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.225 -5.595 1.635 1.00 0.00 H new ATOM 826 N ILE A 51 4.938 0.374 1.560 1.00 0.00 N ATOM 827 CA ILE A 51 5.230 1.662 0.947 1.00 0.00 C ATOM 828 C ILE A 51 6.732 1.892 0.833 1.00 0.00 C ATOM 829 O ILE A 51 7.532 1.138 1.394 1.00 0.00 O ATOM 830 CB ILE A 51 4.612 2.830 1.754 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.406 3.080 3.041 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.151 2.539 2.078 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.914 4.267 3.844 1.00 0.00 C ATOM 0 H ILE A 51 5.042 0.354 2.574 1.00 0.00 H new ATOM 0 HA ILE A 51 4.787 1.638 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 51 4.659 3.731 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.359 2.187 3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.454 3.236 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.732 3.370 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.591 2.413 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.084 1.626 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.525 4.379 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.987 5.171 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.875 4.106 4.132 1.00 0.00 H new ATOM 845 N HIS A 52 7.097 2.934 0.096 1.00 0.00 N ATOM 846 CA HIS A 52 8.481 3.377 0.007 1.00 0.00 C ATOM 847 C HIS A 52 8.958 3.862 1.377 1.00 0.00 C ATOM 848 O HIS A 52 8.190 4.480 2.116 1.00 0.00 O ATOM 849 CB HIS A 52 8.598 4.512 -1.032 1.00 0.00 C ATOM 850 CG HIS A 52 9.986 5.069 -1.203 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.553 5.949 -0.307 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.920 4.862 -2.162 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.774 6.259 -0.698 1.00 0.00 C ATOM 854 NE2 HIS A 52 12.023 5.612 -1.823 1.00 0.00 N ATOM 0 H HIS A 52 6.445 3.493 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 52 9.108 2.543 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.249 4.141 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.929 5.322 -0.741 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.097 6.307 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.818 4.227 -3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.453 6.926 -0.187 1.00 0.00 H new ATOM 863 N PRO A 53 10.219 3.563 1.751 1.00 0.00 N ATOM 864 CA PRO A 53 10.854 4.118 2.958 1.00 0.00 C ATOM 865 C PRO A 53 10.844 5.653 2.975 1.00 0.00 C ATOM 866 O PRO A 53 10.110 6.273 2.217 1.00 0.00 O ATOM 867 CB PRO A 53 12.298 3.595 2.889 1.00 0.00 C ATOM 868 CG PRO A 53 12.468 3.060 1.506 1.00 0.00 C ATOM 869 CD PRO A 53 11.108 2.620 1.060 1.00 0.00 C ATOM 0 HA PRO A 53 10.323 3.819 3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.013 4.392 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.469 2.817 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.868 3.824 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.170 2.227 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.998 2.680 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.903 1.588 1.345 1.00 0.00 H new ATOM 877 N ARG A 54 11.655 6.251 3.854 1.00 0.00 N ATOM 878 CA ARG A 54 11.733 7.718 4.055 1.00 0.00 C ATOM 879 C ARG A 54 10.417 8.301 4.599 1.00 0.00 C ATOM 880 O ARG A 54 10.428 9.266 5.357 1.00 0.00 O ATOM 881 CB ARG A 54 12.233 8.474 2.792 1.00 0.00 C ATOM 882 CG ARG A 54 11.196 8.770 1.711 1.00 0.00 C ATOM 883 CD ARG A 54 10.380 10.017 2.012 1.00 0.00 C ATOM 884 NE ARG A 54 11.167 11.240 1.882 1.00 0.00 N ATOM 885 CZ ARG A 54 11.149 12.020 0.802 1.00 0.00 C ATOM 886 NH1 ARG A 54 10.376 11.707 -0.232 1.00 0.00 N ATOM 887 NH2 ARG A 54 11.891 13.117 0.760 1.00 0.00 N ATOM 0 H ARG A 54 12.289 5.729 4.459 1.00 0.00 H new ATOM 0 HA ARG A 54 12.490 7.878 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.669 9.420 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.036 7.890 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.700 8.892 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.526 7.916 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.527 10.063 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.980 9.951 3.024 1.00 0.00 H new ATOM 0 HE ARG A 54 11.765 11.513 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.796 10.869 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.363 12.305 -1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.478 13.366 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.875 13.712 -0.068 1.00 0.00 H new ATOM 901 N LEU A 55 9.293 7.696 4.227 1.00 0.00 N ATOM 902 CA LEU A 55 7.977 8.116 4.696 1.00 0.00 C ATOM 903 C LEU A 55 7.580 7.373 5.964 1.00 0.00 C ATOM 904 O LEU A 55 6.418 7.403 6.361 1.00 0.00 O ATOM 905 CB LEU A 55 6.926 7.859 3.611 1.00 0.00 C ATOM 906 CG LEU A 55 6.833 8.926 2.526 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.913 8.466 1.405 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.331 10.226 3.128 1.00 0.00 C ATOM 0 H LEU A 55 9.269 6.899 3.591 1.00 0.00 H new ATOM 0 HA LEU A 55 8.027 9.182 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.143 6.901 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.951 7.764 4.089 1.00 0.00 H new ATOM 0 HG LEU A 55 7.825 9.091 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.858 9.239 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.305 7.548 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.916 8.280 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.266 10.986 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.345 10.068 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.022 10.559 3.903 1.00 0.00 H new ATOM 920 N LYS A 56 8.546 6.723 6.601 1.00 0.00 N ATOM 921 CA LYS A 56 8.278 5.928 7.796 1.00 0.00 C ATOM 922 C LYS A 56 7.696 6.804 8.901 1.00 0.00 C ATOM 923 O LYS A 56 6.601 6.543 9.400 1.00 0.00 O ATOM 924 CB LYS A 56 9.562 5.244 8.277 1.00 0.00 C ATOM 925 CG LYS A 56 9.330 4.213 9.370 1.00 0.00 C ATOM 926 CD LYS A 56 10.616 3.496 9.744 1.00 0.00 C ATOM 927 CE LYS A 56 10.360 2.393 10.761 1.00 0.00 C ATOM 928 NZ LYS A 56 11.616 1.718 11.183 1.00 0.00 N ATOM 0 H LYS A 56 9.524 6.730 6.311 1.00 0.00 H new ATOM 0 HA LYS A 56 7.547 5.160 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.045 4.759 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.252 6.003 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.916 4.703 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.591 3.485 9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.071 3.070 8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.328 4.212 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.864 2.815 11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.680 1.657 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.397 0.986 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.068 1.278 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.263 2.417 11.600 1.00 0.00 H new ATOM 942 N ASP A 57 8.425 7.856 9.252 1.00 0.00 N ATOM 943 CA ASP A 57 8.000 8.797 10.285 1.00 0.00 C ATOM 944 C ASP A 57 6.657 9.440 9.936 1.00 0.00 C ATOM 945 O ASP A 57 5.806 9.641 10.805 1.00 0.00 O ATOM 946 CB ASP A 57 9.074 9.871 10.468 1.00 0.00 C ATOM 947 CG ASP A 57 8.645 11.003 11.379 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.556 10.788 12.602 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.421 12.123 10.872 1.00 0.00 O ATOM 0 H ASP A 57 9.326 8.082 8.831 1.00 0.00 H new ATOM 0 HA ASP A 57 7.869 8.250 11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.974 9.409 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.338 10.280 9.493 1.00 0.00 H new ATOM 954 N ARG A 58 6.473 9.750 8.657 1.00 0.00 N ATOM 955 CA ARG A 58 5.234 10.348 8.173 1.00 0.00 C ATOM 956 C ARG A 58 4.068 9.367 8.301 1.00 0.00 C ATOM 957 O ARG A 58 3.063 9.661 8.947 1.00 0.00 O ATOM 958 CB ARG A 58 5.401 10.775 6.711 1.00 0.00 C ATOM 959 CG ARG A 58 4.128 11.300 6.065 1.00 0.00 C ATOM 960 CD ARG A 58 3.684 12.618 6.672 1.00 0.00 C ATOM 961 NE ARG A 58 2.497 13.154 6.003 1.00 0.00 N ATOM 962 CZ ARG A 58 2.223 14.453 5.902 1.00 0.00 C ATOM 963 NH1 ARG A 58 3.056 15.351 6.417 1.00 0.00 N ATOM 964 NH2 ARG A 58 1.121 14.852 5.273 1.00 0.00 N ATOM 0 H ARG A 58 7.173 9.595 7.931 1.00 0.00 H new ATOM 0 HA ARG A 58 5.012 11.224 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.168 11.547 6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.763 9.924 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.292 11.430 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.333 10.563 6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.471 12.476 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.497 13.341 6.604 1.00 0.00 H new ATOM 0 HE ARG A 58 1.840 12.492 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.906 15.045 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.845 16.346 6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.487 14.163 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.910 15.847 5.195 1.00 0.00 H new ATOM 978 N SER A 59 4.217 8.206 7.677 1.00 0.00 N ATOM 979 CA SER A 59 3.175 7.188 7.666 1.00 0.00 C ATOM 980 C SER A 59 2.833 6.708 9.075 1.00 0.00 C ATOM 981 O SER A 59 1.682 6.380 9.352 1.00 0.00 O ATOM 982 CB SER A 59 3.612 6.009 6.789 1.00 0.00 C ATOM 983 OG SER A 59 2.797 4.862 7.001 1.00 0.00 O ATOM 0 H SER A 59 5.060 7.944 7.166 1.00 0.00 H new ATOM 0 HA SER A 59 2.272 7.635 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.565 6.300 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.651 5.761 7.005 1.00 0.00 H new ATOM 0 HG SER A 59 3.308 4.054 6.788 1.00 0.00 H new ATOM 989 N SER A 60 3.831 6.676 9.949 1.00 0.00 N ATOM 990 CA SER A 60 3.661 6.181 11.311 1.00 0.00 C ATOM 991 C SER A 60 2.604 6.985 12.073 1.00 0.00 C ATOM 992 O SER A 60 1.885 6.441 12.916 1.00 0.00 O ATOM 993 CB SER A 60 5.008 6.230 12.041 1.00 0.00 C ATOM 994 OG SER A 60 4.921 5.686 13.347 1.00 0.00 O ATOM 0 H SER A 60 4.778 6.991 9.736 1.00 0.00 H new ATOM 0 HA SER A 60 3.310 5.150 11.264 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.752 5.679 11.467 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.352 7.263 12.100 1.00 0.00 H new ATOM 0 HG SER A 60 5.799 5.733 13.780 1.00 0.00 H new ATOM 1000 N SER A 61 2.486 8.271 11.751 1.00 0.00 N ATOM 1001 CA SER A 61 1.523 9.142 12.414 1.00 0.00 C ATOM 1002 C SER A 61 0.091 8.788 12.008 1.00 0.00 C ATOM 1003 O SER A 61 -0.872 9.198 12.657 1.00 0.00 O ATOM 1004 CB SER A 61 1.821 10.601 12.070 1.00 0.00 C ATOM 1005 OG SER A 61 3.165 10.930 12.373 1.00 0.00 O ATOM 0 H SER A 61 3.047 8.732 11.034 1.00 0.00 H new ATOM 0 HA SER A 61 1.615 8.999 13.491 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.630 10.775 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.149 11.254 12.626 1.00 0.00 H new ATOM 0 HG SER A 61 3.332 11.868 12.143 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.041 8.024 10.934 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.347 7.620 10.439 1.00 0.00 C ATOM 1013 C LEU A 62 -1.571 6.134 10.688 1.00 0.00 C ATOM 1014 O LEU A 62 -2.467 5.746 11.436 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.463 7.924 8.944 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.328 9.401 8.570 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.331 9.572 7.062 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.448 10.215 9.200 1.00 0.00 C ATOM 0 H LEU A 62 0.744 7.671 10.387 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.111 8.184 10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.696 7.359 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.428 7.562 8.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.376 9.767 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.234 10.629 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.495 9.021 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.266 9.189 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.336 11.263 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.410 9.847 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.402 10.119 10.285 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.732 5.315 10.078 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.836 3.871 10.202 1.00 0.00 C ATOM 1032 C ALA A 63 0.525 3.274 10.529 1.00 0.00 C ATOM 1033 O ALA A 63 1.512 3.546 9.838 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.387 3.268 8.920 1.00 0.00 C ATOM 0 H ALA A 63 0.037 5.630 9.486 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.523 3.638 11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.459 2.186 9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.376 3.679 8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.721 3.506 8.090 1.00 0.00 H new ATOM 1040 N ASP A 64 0.569 2.463 11.570 1.00 0.00 N ATOM 1041 CA ASP A 64 1.817 1.872 12.033 1.00 0.00 C ATOM 1042 C ASP A 64 2.261 0.750 11.099 1.00 0.00 C ATOM 1043 O ASP A 64 1.443 0.159 10.391 1.00 0.00 O ATOM 1044 CB ASP A 64 1.655 1.333 13.459 1.00 0.00 C ATOM 1045 CG ASP A 64 0.764 0.105 13.532 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -0.440 0.217 13.224 1.00 0.00 O ATOM 1047 OD2 ASP A 64 1.262 -0.978 13.912 1.00 0.00 O ATOM 0 H ASP A 64 -0.250 2.195 12.116 1.00 0.00 H new ATOM 0 HA ASP A 64 2.582 2.648 12.033 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.637 1.087 13.862 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.238 2.116 14.092 1.00 0.00 H new ATOM 1052 N PRO A 65 3.571 0.465 11.054 1.00 0.00 N ATOM 1053 CA PRO A 65 4.100 -0.641 10.264 1.00 0.00 C ATOM 1054 C PRO A 65 3.765 -1.993 10.888 1.00 0.00 C ATOM 1055 O PRO A 65 3.812 -2.150 12.109 1.00 0.00 O ATOM 1056 CB PRO A 65 5.610 -0.397 10.270 1.00 0.00 C ATOM 1057 CG PRO A 65 5.869 0.380 11.516 1.00 0.00 C ATOM 1058 CD PRO A 65 4.635 1.205 11.761 1.00 0.00 C ATOM 0 HA PRO A 65 3.674 -0.675 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.162 -1.337 10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.924 0.158 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.065 -0.286 12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.746 1.017 11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.419 1.296 12.826 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.746 2.217 11.371 1.00 0.00 H new ATOM 1066 N ALA A 66 3.420 -2.959 10.047 1.00 0.00 N ATOM 1067 CA ALA A 66 3.079 -4.295 10.516 1.00 0.00 C ATOM 1068 C ALA A 66 4.276 -4.932 11.207 1.00 0.00 C ATOM 1069 O ALA A 66 4.183 -5.386 12.347 1.00 0.00 O ATOM 1070 CB ALA A 66 2.608 -5.160 9.359 1.00 0.00 C ATOM 0 H ALA A 66 3.369 -2.842 9.035 1.00 0.00 H new ATOM 0 HA ALA A 66 2.265 -4.214 11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.357 -6.155 9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.727 -4.709 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.402 -5.237 8.616 1.00 0.00 H new ATOM 1076 N SER A 67 5.397 -4.960 10.507 1.00 0.00 N ATOM 1077 CA SER A 67 6.641 -5.411 11.076 1.00 0.00 C ATOM 1078 C SER A 67 7.507 -4.225 11.431 1.00 0.00 C ATOM 1079 O SER A 67 7.642 -3.819 12.586 1.00 0.00 O ATOM 1080 CB SER A 67 7.339 -6.337 10.075 1.00 0.00 C ATOM 1081 OG SER A 67 7.414 -5.751 8.787 1.00 0.00 O ATOM 0 H SER A 67 5.463 -4.670 9.531 1.00 0.00 H new ATOM 0 HA SER A 67 6.455 -5.968 11.994 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.344 -6.566 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.799 -7.282 10.015 1.00 0.00 H new ATOM 0 HG SER A 67 7.866 -6.367 8.173 1.00 0.00 H new ATOM 1087 N ASP A 68 8.055 -3.713 10.390 1.00 0.00 N ATOM 1088 CA ASP A 68 8.869 -2.505 10.370 1.00 0.00 C ATOM 1089 C ASP A 68 9.223 -2.227 8.928 1.00 0.00 C ATOM 1090 O ASP A 68 8.795 -1.242 8.328 1.00 0.00 O ATOM 1091 CB ASP A 68 10.157 -2.678 11.177 1.00 0.00 C ATOM 1092 CG ASP A 68 10.939 -1.386 11.287 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.775 -1.115 10.407 1.00 0.00 O ATOM 1094 OD2 ASP A 68 10.719 -0.630 12.259 1.00 0.00 O ATOM 0 H ASP A 68 7.955 -4.133 9.466 1.00 0.00 H new ATOM 0 HA ASP A 68 8.309 -1.684 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.912 -3.039 12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.780 -3.439 10.706 1.00 0.00 H new ATOM 1099 N ILE A 69 9.989 -3.153 8.385 1.00 0.00 N ATOM 1100 CA ILE A 69 10.332 -3.178 6.980 1.00 0.00 C ATOM 1101 C ILE A 69 10.272 -4.612 6.483 1.00 0.00 C ATOM 1102 O ILE A 69 10.457 -5.552 7.258 1.00 0.00 O ATOM 1103 CB ILE A 69 11.742 -2.611 6.716 1.00 0.00 C ATOM 1104 CG1 ILE A 69 12.705 -3.068 7.811 1.00 0.00 C ATOM 1105 CG2 ILE A 69 11.700 -1.091 6.634 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.163 -2.831 7.483 1.00 0.00 C ATOM 0 H ILE A 69 10.396 -3.921 8.918 1.00 0.00 H new ATOM 0 HA ILE A 69 9.616 -2.550 6.449 1.00 0.00 H new ATOM 0 HB ILE A 69 12.099 -2.991 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.461 -2.546 8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.552 -4.131 7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.704 -0.709 6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.040 -0.789 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.327 -0.686 7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.783 -3.181 8.308 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.425 -3.375 6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.333 -1.765 7.329 1.00 0.00 H new ATOM 1118 N LYS A 70 9.991 -4.779 5.208 1.00 0.00 N ATOM 1119 CA LYS A 70 9.934 -6.102 4.609 1.00 0.00 C ATOM 1120 C LYS A 70 10.985 -6.214 3.521 1.00 0.00 C ATOM 1121 O LYS A 70 10.876 -5.586 2.467 1.00 0.00 O ATOM 1122 CB LYS A 70 8.534 -6.406 4.047 1.00 0.00 C ATOM 1123 CG LYS A 70 8.367 -7.833 3.526 1.00 0.00 C ATOM 1124 CD LYS A 70 6.907 -8.140 3.212 1.00 0.00 C ATOM 1125 CE LYS A 70 6.702 -9.573 2.723 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.252 -9.798 1.359 1.00 0.00 N ATOM 0 H LYS A 70 9.797 -4.014 4.562 1.00 0.00 H new ATOM 0 HA LYS A 70 10.139 -6.841 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.794 -6.227 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.320 -5.708 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.970 -7.968 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.738 -8.539 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.304 -7.975 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.548 -7.446 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.178 -10.262 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.637 -9.804 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.761 -10.600 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.112 -8.944 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.268 -10.008 1.425 1.00 0.00 H new ATOM 1140 N THR A 71 12.015 -6.988 3.802 1.00 0.00 N ATOM 1141 CA THR A 71 13.097 -7.197 2.863 1.00 0.00 C ATOM 1142 C THR A 71 12.837 -8.440 2.024 1.00 0.00 C ATOM 1143 O THR A 71 12.827 -9.555 2.553 1.00 0.00 O ATOM 1144 CB THR A 71 14.437 -7.356 3.599 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.274 -8.198 4.748 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.001 -6.015 4.031 1.00 0.00 C ATOM 0 H THR A 71 12.124 -7.488 4.685 1.00 0.00 H new ATOM 0 HA THR A 71 13.149 -6.323 2.214 1.00 0.00 H new ATOM 0 HB THR A 71 15.140 -7.814 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.013 -8.840 4.790 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.948 -6.168 4.548 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.163 -5.389 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.297 -5.523 4.702 1.00 0.00 H new ATOM 1154 N CYS A 72 12.632 -8.254 0.723 1.00 0.00 N ATOM 1155 CA CYS A 72 12.261 -9.359 -0.155 1.00 0.00 C ATOM 1156 C CYS A 72 12.007 -8.884 -1.565 1.00 0.00 C ATOM 1157 O CYS A 72 12.320 -7.747 -1.926 1.00 0.00 O ATOM 1158 CB CYS A 72 11.025 -10.091 0.402 1.00 0.00 C ATOM 1159 SG CYS A 72 10.717 -11.730 -0.306 1.00 0.00 S ATOM 0 H CYS A 72 12.716 -7.352 0.255 1.00 0.00 H new ATOM 0 HA CYS A 72 13.098 -10.056 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.139 -10.194 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.147 -9.468 0.233 1.00 0.00 H new ATOM 0 HG CYS A 72 11.717 -12.071 -1.063 1.00 0.00 H new ATOM 1165 N ASP A 73 11.457 -9.786 -2.355 1.00 0.00 N ATOM 1166 CA ASP A 73 11.337 -9.597 -3.774 1.00 0.00 C ATOM 1167 C ASP A 73 10.422 -8.448 -4.122 1.00 0.00 C ATOM 1168 O ASP A 73 9.235 -8.437 -3.782 1.00 0.00 O ATOM 1169 CB ASP A 73 10.856 -10.877 -4.455 1.00 0.00 C ATOM 1170 CG ASP A 73 11.927 -11.944 -4.489 1.00 0.00 C ATOM 1171 OD1 ASP A 73 12.764 -11.919 -5.415 1.00 0.00 O ATOM 1172 OD2 ASP A 73 11.939 -12.813 -3.593 1.00 0.00 O ATOM 0 H ASP A 73 11.081 -10.673 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 73 12.332 -9.350 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.981 -11.259 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.541 -10.648 -5.473 1.00 0.00 H new ATOM 1177 N HIS A 74 11.045 -7.465 -4.750 1.00 0.00 N ATOM 1178 CA HIS A 74 10.366 -6.409 -5.533 1.00 0.00 C ATOM 1179 C HIS A 74 10.146 -5.139 -4.727 1.00 0.00 C ATOM 1180 O HIS A 74 9.302 -4.320 -5.081 1.00 0.00 O ATOM 1181 CB HIS A 74 9.013 -6.869 -6.113 1.00 0.00 C ATOM 1182 CG HIS A 74 9.052 -8.148 -6.894 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.223 -9.213 -6.616 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.812 -8.529 -7.947 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.471 -10.194 -7.459 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.430 -9.804 -8.276 1.00 0.00 N ATOM 0 H HIS A 74 12.060 -7.364 -4.738 1.00 0.00 H new ATOM 0 HA HIS A 74 11.046 -6.196 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.305 -6.985 -5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.626 -6.080 -6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.575 -7.940 -8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.974 -11.153 -7.478 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.825 -10.362 -9.033 1.00 0.00 H new ATOM 1195 N TYR A 75 10.911 -4.952 -3.669 1.00 0.00 N ATOM 1196 CA TYR A 75 10.790 -3.739 -2.870 1.00 0.00 C ATOM 1197 C TYR A 75 12.013 -2.856 -3.051 1.00 0.00 C ATOM 1198 O TYR A 75 12.630 -2.434 -2.075 1.00 0.00 O ATOM 1199 CB TYR A 75 10.617 -4.083 -1.393 1.00 0.00 C ATOM 1200 CG TYR A 75 9.536 -5.098 -1.137 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.245 -4.904 -1.609 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.811 -6.257 -0.431 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.258 -5.839 -1.380 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.831 -7.193 -0.197 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.560 -6.983 -0.676 1.00 0.00 C ATOM 1206 OH TYR A 75 6.586 -7.922 -0.447 1.00 0.00 O ATOM 0 H TYR A 75 11.616 -5.613 -3.342 1.00 0.00 H new ATOM 0 HA TYR A 75 9.908 -3.197 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.561 -4.463 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.388 -3.172 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.010 -4.008 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.810 -6.428 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.257 -5.675 -1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.059 -8.089 0.361 1.00 0.00 H new ATOM 0 HH TYR A 75 6.774 -8.724 -0.978 1.00 0.00 H new ATOM 1216 N GLN A 76 12.363 -2.583 -4.303 1.00 0.00 N ATOM 1217 CA GLN A 76 13.559 -1.815 -4.616 1.00 0.00 C ATOM 1218 C GLN A 76 13.565 -0.467 -3.897 1.00 0.00 C ATOM 1219 O GLN A 76 14.359 -0.261 -2.976 1.00 0.00 O ATOM 1220 CB GLN A 76 13.735 -1.635 -6.136 1.00 0.00 C ATOM 1221 CG GLN A 76 12.446 -1.482 -6.941 1.00 0.00 C ATOM 1222 CD GLN A 76 11.737 -2.799 -7.186 1.00 0.00 C ATOM 1223 OE1 GLN A 76 12.363 -3.853 -7.274 1.00 0.00 O ATOM 1224 NE2 GLN A 76 10.423 -2.745 -7.274 1.00 0.00 N ATOM 0 H GLN A 76 11.832 -2.884 -5.120 1.00 0.00 H new ATOM 0 HA GLN A 76 14.412 -2.387 -4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.356 -0.756 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.283 -2.494 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.773 -0.807 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.676 -1.017 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.943 -1.848 -7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.886 -3.600 -7.421 1.00 0.00 H new ATOM 1233 N ASN A 77 12.684 0.436 -4.320 1.00 0.00 N ATOM 1234 CA ASN A 77 12.517 1.745 -3.688 1.00 0.00 C ATOM 1235 C ASN A 77 13.766 2.620 -3.790 1.00 0.00 C ATOM 1236 O ASN A 77 13.758 3.731 -3.253 1.00 0.00 O ATOM 1237 CB ASN A 77 12.120 1.603 -2.215 1.00 0.00 C ATOM 1238 CG ASN A 77 10.739 1.007 -2.030 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.737 1.706 -2.147 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.677 -0.270 -1.692 1.00 0.00 N ATOM 0 H ASN A 77 12.063 0.281 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 77 11.717 2.239 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.852 0.976 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.154 2.583 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.772 -0.708 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.534 -0.817 -1.605 1.00 0.00 H new ATOM 1247 N PHE A 78 14.804 2.111 -4.485 1.00 0.00 N ATOM 1248 CA PHE A 78 16.124 2.767 -4.661 1.00 0.00 C ATOM 1249 C PHE A 78 17.231 2.210 -3.735 1.00 0.00 C ATOM 1250 O PHE A 78 18.209 1.657 -4.240 1.00 0.00 O ATOM 1251 CB PHE A 78 16.056 4.302 -4.552 1.00 0.00 C ATOM 1252 CG PHE A 78 17.376 4.986 -4.773 1.00 0.00 C ATOM 1253 CD1 PHE A 78 17.854 5.196 -6.058 1.00 0.00 C ATOM 1254 CD2 PHE A 78 18.136 5.422 -3.700 1.00 0.00 C ATOM 1255 CE1 PHE A 78 19.065 5.825 -6.265 1.00 0.00 C ATOM 1256 CE2 PHE A 78 19.348 6.052 -3.901 1.00 0.00 C ATOM 1257 CZ PHE A 78 19.813 6.254 -5.185 1.00 0.00 C ATOM 0 H PHE A 78 14.749 1.207 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 78 16.406 2.515 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 78 15.337 4.677 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 78 15.679 4.570 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.273 4.864 -6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 78 17.776 5.267 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 78 19.428 5.982 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 78 19.931 6.386 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 78 20.761 6.747 -5.345 1.00 0.00 H new ATOM 1267 N PRO A 79 17.115 2.320 -2.389 1.00 0.00 N ATOM 1268 CA PRO A 79 18.243 2.076 -1.473 1.00 0.00 C ATOM 1269 C PRO A 79 18.754 0.637 -1.469 1.00 0.00 C ATOM 1270 O PRO A 79 19.938 0.407 -1.717 1.00 0.00 O ATOM 1271 CB PRO A 79 17.678 2.454 -0.094 1.00 0.00 C ATOM 1272 CG PRO A 79 16.464 3.262 -0.392 1.00 0.00 C ATOM 1273 CD PRO A 79 15.907 2.670 -1.640 1.00 0.00 C ATOM 0 HA PRO A 79 19.115 2.656 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.430 1.567 0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.401 3.026 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.745 3.210 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.714 4.314 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 79 15.289 1.796 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 79 15.284 3.380 -2.183 1.00 0.00 H new ATOM 1281 N LEU A 80 17.860 -0.317 -1.195 1.00 0.00 N ATOM 1282 CA LEU A 80 18.233 -1.734 -1.017 1.00 0.00 C ATOM 1283 C LEU A 80 18.981 -1.899 0.313 1.00 0.00 C ATOM 1284 O LEU A 80 19.862 -1.109 0.644 1.00 0.00 O ATOM 1285 CB LEU A 80 19.104 -2.228 -2.200 1.00 0.00 C ATOM 1286 CG LEU A 80 19.084 -3.731 -2.503 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.911 -4.020 -3.744 1.00 0.00 C ATOM 1288 CD2 LEU A 80 19.618 -4.535 -1.338 1.00 0.00 C ATOM 0 H LEU A 80 16.862 -0.137 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 80 17.328 -2.341 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.787 -1.698 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.136 -1.936 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 80 18.048 -4.025 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.892 -5.090 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.495 -3.477 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.940 -3.701 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.590 -5.596 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.646 -4.237 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.003 -4.351 -0.457 1.00 0.00 H new ATOM 1300 N TYR A 81 18.626 -2.913 1.091 1.00 0.00 N ATOM 1301 CA TYR A 81 19.310 -3.142 2.353 1.00 0.00 C ATOM 1302 C TYR A 81 20.536 -4.022 2.124 1.00 0.00 C ATOM 1303 O TYR A 81 20.428 -5.243 1.987 1.00 0.00 O ATOM 1304 CB TYR A 81 18.370 -3.776 3.381 1.00 0.00 C ATOM 1305 CG TYR A 81 18.668 -3.345 4.799 1.00 0.00 C ATOM 1306 CD1 TYR A 81 19.659 -3.967 5.548 1.00 0.00 C ATOM 1307 CD2 TYR A 81 17.963 -2.299 5.382 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.938 -3.558 6.837 1.00 0.00 C ATOM 1309 CE2 TYR A 81 18.234 -1.887 6.671 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.221 -2.517 7.393 1.00 0.00 C ATOM 1311 OH TYR A 81 19.500 -2.101 8.673 1.00 0.00 O ATOM 0 H TYR A 81 17.883 -3.578 0.875 1.00 0.00 H new ATOM 0 HA TYR A 81 19.635 -2.181 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.341 -3.512 3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.446 -4.861 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.220 -4.783 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.190 -1.800 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.713 -4.049 7.407 1.00 0.00 H new ATOM 0 HE2 TYR A 81 17.674 -1.075 7.110 1.00 0.00 H new ATOM 0 HH TYR A 81 18.907 -1.359 8.912 1.00 0.00 H new ATOM 1401 N GLU A 88 18.995 -7.365 0.140 1.00 0.00 N ATOM 1402 CA GLU A 88 17.586 -7.559 -0.147 1.00 0.00 C ATOM 1403 C GLU A 88 16.855 -6.226 -0.126 1.00 0.00 C ATOM 1404 O GLU A 88 17.098 -5.382 0.738 1.00 0.00 O ATOM 1405 CB GLU A 88 16.972 -8.561 0.842 1.00 0.00 C ATOM 1406 CG GLU A 88 17.445 -8.388 2.279 1.00 0.00 C ATOM 1407 CD GLU A 88 17.234 -9.638 3.110 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.973 -10.621 2.902 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.336 -9.652 3.974 1.00 0.00 O ATOM 0 HA GLU A 88 17.480 -7.978 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.887 -8.463 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.210 -9.572 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.503 -8.127 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.911 -7.556 2.737 1.00 0.00 H new ATOM 1416 N HIS A 89 15.994 -6.024 -1.111 1.00 0.00 N ATOM 1417 CA HIS A 89 15.265 -4.772 -1.248 1.00 0.00 C ATOM 1418 C HIS A 89 14.196 -4.682 -0.162 1.00 0.00 C ATOM 1419 O HIS A 89 13.593 -5.693 0.193 1.00 0.00 O ATOM 1420 CB HIS A 89 14.631 -4.675 -2.637 1.00 0.00 C ATOM 1421 CG HIS A 89 15.612 -4.679 -3.776 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.122 -3.526 -4.340 1.00 0.00 N ATOM 1423 CD2 HIS A 89 16.151 -5.704 -4.480 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.924 -3.846 -5.339 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.959 -5.157 -5.443 1.00 0.00 N ATOM 0 H HIS A 89 15.782 -6.715 -1.831 1.00 0.00 H new ATOM 0 HA HIS A 89 15.958 -3.939 -1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.942 -5.509 -2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.039 -3.761 -2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.976 -6.757 -4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.461 -3.149 -5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.500 -5.682 -6.130 1.00 0.00 H new ATOM 1434 N TYR A 90 13.959 -3.485 0.364 1.00 0.00 N ATOM 1435 CA TYR A 90 13.083 -3.341 1.520 1.00 0.00 C ATOM 1436 C TYR A 90 12.035 -2.253 1.321 1.00 0.00 C ATOM 1437 O TYR A 90 12.294 -1.218 0.703 1.00 0.00 O ATOM 1438 CB TYR A 90 13.905 -3.043 2.782 1.00 0.00 C ATOM 1439 CG TYR A 90 14.477 -1.641 2.860 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.600 -1.277 2.126 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.895 -0.685 3.683 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.123 0.002 2.209 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.412 0.592 3.772 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.525 0.931 3.035 1.00 0.00 C ATOM 1445 OH TYR A 90 16.041 2.205 3.126 1.00 0.00 O ATOM 0 H TYR A 90 14.355 -2.612 0.014 1.00 0.00 H new ATOM 0 HA TYR A 90 12.558 -4.289 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.275 -3.211 3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.726 -3.758 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.072 -2.003 1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.022 -0.945 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.994 0.271 1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.946 1.322 4.417 1.00 0.00 H new ATOM 0 HH TYR A 90 15.501 2.733 3.750 1.00 0.00 H new ATOM 1455 N GLY A 91 10.848 -2.522 1.840 1.00 0.00 N ATOM 1456 CA GLY A 91 9.799 -1.525 1.905 1.00 0.00 C ATOM 1457 C GLY A 91 9.122 -1.557 3.264 1.00 0.00 C ATOM 1458 O GLY A 91 9.440 -2.414 4.085 1.00 0.00 O ATOM 0 H GLY A 91 10.589 -3.430 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.218 -0.535 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.064 -1.709 1.121 1.00 0.00 H new ATOM 1462 N ILE A 92 8.192 -0.648 3.507 1.00 0.00 N ATOM 1463 CA ILE A 92 7.531 -0.574 4.809 1.00 0.00 C ATOM 1464 C ILE A 92 6.120 -1.163 4.747 1.00 0.00 C ATOM 1465 O ILE A 92 5.222 -0.573 4.139 1.00 0.00 O ATOM 1466 CB ILE A 92 7.457 0.884 5.306 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.854 1.508 5.307 1.00 0.00 C ATOM 1468 CG2 ILE A 92 6.837 0.945 6.697 1.00 0.00 C ATOM 1469 CD1 ILE A 92 8.865 2.968 5.699 1.00 0.00 C ATOM 0 H ILE A 92 7.876 0.046 2.829 1.00 0.00 H new ATOM 0 HA ILE A 92 8.126 -1.160 5.509 1.00 0.00 H new ATOM 0 HB ILE A 92 6.822 1.454 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.491 0.951 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.290 1.404 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.793 1.982 7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.829 0.531 6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.445 0.366 7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.888 3.343 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.255 3.538 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.459 3.078 6.705 1.00 0.00 H new ATOM 1481 N PRO A 93 5.899 -2.330 5.377 1.00 0.00 N ATOM 1482 CA PRO A 93 4.610 -3.002 5.352 1.00 0.00 C ATOM 1483 C PRO A 93 3.666 -2.501 6.441 1.00 0.00 C ATOM 1484 O PRO A 93 4.098 -2.068 7.508 1.00 0.00 O ATOM 1485 CB PRO A 93 4.971 -4.470 5.582 1.00 0.00 C ATOM 1486 CG PRO A 93 6.297 -4.471 6.277 1.00 0.00 C ATOM 1487 CD PRO A 93 6.882 -3.081 6.174 1.00 0.00 C ATOM 0 HA PRO A 93 4.076 -2.823 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.213 -4.967 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.027 -5.010 4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.179 -4.758 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.966 -5.200 5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.021 -2.634 7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.859 -3.095 5.690 1.00 0.00 H new ATOM 1495 N HIS A 94 2.376 -2.555 6.156 1.00 0.00 N ATOM 1496 CA HIS A 94 1.348 -2.114 7.094 1.00 0.00 C ATOM 1497 C HIS A 94 0.260 -3.173 7.171 1.00 0.00 C ATOM 1498 O HIS A 94 0.502 -4.330 6.842 1.00 0.00 O ATOM 1499 CB HIS A 94 0.724 -0.790 6.626 1.00 0.00 C ATOM 1500 CG HIS A 94 1.699 0.333 6.463 1.00 0.00 C ATOM 1501 ND1 HIS A 94 2.598 0.402 5.422 1.00 0.00 N ATOM 1502 CD2 HIS A 94 1.910 1.439 7.213 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.320 1.499 5.542 1.00 0.00 C ATOM 1504 NE2 HIS A 94 2.922 2.150 6.619 1.00 0.00 N ATOM 0 H HIS A 94 2.009 -2.904 5.271 1.00 0.00 H new ATOM 0 HA HIS A 94 1.804 -1.964 8.073 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.220 -0.957 5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.040 -0.490 7.343 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.691 -0.287 4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.380 1.712 8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.106 1.812 4.871 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.925 -2.765 7.599 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.091 -3.621 7.530 1.00 0.00 C ATOM 1515 C GLY A 95 -3.318 -2.885 8.005 1.00 0.00 C ATOM 1516 O GLY A 95 -3.206 -1.918 8.760 1.00 0.00 O ATOM 0 H GLY A 95 -1.101 -1.843 7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.239 -3.962 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.933 -4.509 8.142 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.490 -3.333 7.572 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.721 -2.599 7.834 1.00 0.00 C ATOM 1522 C PHE A 96 -6.884 -3.552 8.040 1.00 0.00 C ATOM 1523 O PHE A 96 -7.093 -4.464 7.242 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.033 -1.645 6.674 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.878 -0.759 6.301 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.589 0.376 7.041 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.065 -1.082 5.227 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.514 1.176 6.710 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -2.989 -0.288 4.895 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.712 0.842 5.638 1.00 0.00 C ATOM 0 H PHE A 96 -4.614 -4.195 7.041 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.579 -2.018 8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.329 -2.229 5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.886 -1.023 6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.211 0.637 7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.277 -1.966 4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.301 2.062 7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.363 -0.549 4.055 1.00 0.00 H new ATOM 0 HZ PHE A 96 -1.868 1.464 5.380 1.00 0.00 H new ATOM 1540 N SER A 97 -7.624 -3.346 9.116 1.00 0.00 N ATOM 1541 CA SER A 97 -8.793 -4.160 9.408 1.00 0.00 C ATOM 1542 C SER A 97 -10.036 -3.618 8.703 1.00 0.00 C ATOM 1543 O SER A 97 -11.061 -4.295 8.622 1.00 0.00 O ATOM 1544 CB SER A 97 -9.025 -4.222 10.920 1.00 0.00 C ATOM 1545 OG SER A 97 -9.085 -2.923 11.484 1.00 0.00 O ATOM 0 H SER A 97 -7.435 -2.618 9.805 1.00 0.00 H new ATOM 0 HA SER A 97 -8.608 -5.167 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.954 -4.754 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.222 -4.789 11.391 1.00 0.00 H new ATOM 0 HG SER A 97 -9.236 -2.992 12.450 1.00 0.00 H new ATOM 1551 N SER A 98 -9.956 -2.390 8.197 1.00 0.00 N ATOM 1552 CA SER A 98 -11.111 -1.761 7.571 1.00 0.00 C ATOM 1553 C SER A 98 -10.717 -0.861 6.400 1.00 0.00 C ATOM 1554 O SER A 98 -9.646 -0.236 6.403 1.00 0.00 O ATOM 1555 CB SER A 98 -11.899 -0.964 8.612 1.00 0.00 C ATOM 1556 OG SER A 98 -12.382 -1.820 9.635 1.00 0.00 O ATOM 0 H SER A 98 -9.112 -1.817 8.208 1.00 0.00 H new ATOM 0 HA SER A 98 -11.739 -2.556 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.262 -0.193 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.735 -0.455 8.132 1.00 0.00 H new ATOM 0 HG SER A 98 -12.882 -1.293 10.293 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.601 -0.804 5.407 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.384 -0.008 4.206 1.00 0.00 C ATOM 1564 C ARG A 99 -11.216 1.464 4.536 1.00 0.00 C ATOM 1565 O ARG A 99 -10.256 2.091 4.100 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.551 -0.170 3.232 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.616 -1.524 2.552 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.829 -1.611 1.642 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.848 -2.847 0.864 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.889 -3.678 0.806 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -15.988 -3.422 1.509 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -14.821 -4.775 0.059 1.00 0.00 N ATOM 0 H ARG A 99 -12.487 -1.309 5.414 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.467 -0.371 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.484 -0.002 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.481 0.604 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.708 -1.689 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.662 -2.312 3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.737 -1.548 2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.835 -0.757 0.964 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.012 -3.090 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.036 -2.588 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.783 -4.059 1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.973 -4.981 -0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.617 -5.411 0.014 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.153 2.017 5.304 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.122 3.437 5.631 1.00 0.00 C ATOM 1588 C ILE A 100 -10.850 3.807 6.384 1.00 0.00 C ATOM 1589 O ILE A 100 -10.351 4.923 6.261 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.346 3.895 6.447 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.348 5.421 6.530 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.338 3.276 7.842 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.500 5.994 7.309 1.00 0.00 C ATOM 0 H ILE A 100 -12.937 1.505 5.708 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.145 3.957 4.673 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.255 3.559 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.415 5.750 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.369 5.829 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.213 3.616 8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.362 2.189 7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.434 3.580 8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.427 7.081 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.439 5.698 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.470 5.618 8.332 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.327 2.871 7.163 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.067 3.093 7.843 1.00 0.00 C ATOM 1607 C ALA A 101 -8.003 3.405 6.806 1.00 0.00 C ATOM 1608 O ALA A 101 -7.369 4.457 6.852 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.681 1.879 8.678 1.00 0.00 C ATOM 0 H ALA A 101 -10.753 1.961 7.337 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.163 3.936 8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.732 2.069 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.453 1.690 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.581 1.008 8.030 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.863 2.503 5.839 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.962 2.711 4.710 1.00 0.00 C ATOM 1617 C LEU A 102 -7.327 3.995 3.957 1.00 0.00 C ATOM 1618 O LEU A 102 -6.451 4.777 3.587 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.025 1.500 3.769 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.242 1.634 2.459 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.762 1.841 2.733 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.456 0.405 1.590 1.00 0.00 C ATOM 0 H LEU A 102 -8.365 1.616 5.815 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.944 2.817 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.653 0.627 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.070 1.305 3.528 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.613 2.509 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.226 1.933 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.624 2.750 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.372 0.988 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.894 0.513 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.111 -0.481 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.517 0.301 1.362 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.628 4.203 3.763 1.00 0.00 N ATOM 1635 CA GLU A 103 -9.155 5.380 3.073 1.00 0.00 C ATOM 1636 C GLU A 103 -8.575 6.669 3.658 1.00 0.00 C ATOM 1637 O GLU A 103 -8.032 7.510 2.937 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.681 5.412 3.206 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.375 6.320 2.209 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.855 6.463 2.497 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.594 5.468 2.332 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -13.288 7.566 2.895 1.00 0.00 O ATOM 0 H GLU A 103 -9.350 3.557 4.081 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.869 5.314 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.066 4.399 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.940 5.734 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.906 7.304 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.239 5.923 1.203 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.699 6.809 4.972 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.243 8.010 5.667 1.00 0.00 C ATOM 1651 C ARG A 104 -6.726 8.148 5.603 1.00 0.00 C ATOM 1652 O ARG A 104 -6.205 9.244 5.396 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.678 7.988 7.134 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.151 7.687 7.347 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.507 7.692 8.824 1.00 0.00 C ATOM 1656 NE ARG A 104 -9.616 6.834 9.611 1.00 0.00 N ATOM 1657 CZ ARG A 104 -9.691 6.707 10.937 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.673 7.307 11.604 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -8.801 5.966 11.595 1.00 0.00 N ATOM 0 H ARG A 104 -9.113 6.104 5.581 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.698 8.863 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.087 7.242 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.448 8.954 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.755 8.427 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.392 6.715 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.456 8.712 9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.536 7.356 8.949 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.898 6.304 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.366 7.862 11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.733 7.212 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.056 5.491 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.864 5.873 12.609 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.021 7.039 5.777 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.571 7.068 5.834 1.00 0.00 C ATOM 1675 C TYR A 105 -3.978 7.409 4.472 1.00 0.00 C ATOM 1676 O TYR A 105 -2.990 8.136 4.387 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.038 5.736 6.357 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.563 5.397 7.735 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.854 6.403 8.650 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -4.792 4.080 8.116 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.352 6.108 9.900 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.298 3.779 9.366 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.575 4.797 10.253 1.00 0.00 C ATOM 1684 OH TYR A 105 -6.088 4.507 11.495 1.00 0.00 O ATOM 0 H TYR A 105 -6.431 6.111 5.881 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.265 7.852 6.527 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.312 4.942 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -2.949 5.772 6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.687 7.434 8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.571 3.280 7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.566 6.902 10.600 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.476 2.751 9.647 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.188 3.537 11.589 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.598 6.906 3.408 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.197 7.269 2.053 1.00 0.00 C ATOM 1696 C LEU A 106 -4.343 8.769 1.850 1.00 0.00 C ATOM 1697 O LEU A 106 -3.496 9.407 1.231 1.00 0.00 O ATOM 1698 CB LEU A 106 -5.037 6.527 1.010 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.832 5.015 0.952 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.761 4.397 -0.084 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.381 4.683 0.634 1.00 0.00 C ATOM 0 H LEU A 106 -5.377 6.249 3.458 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.153 6.982 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.090 6.725 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.815 6.944 0.028 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.072 4.595 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.605 3.319 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.796 4.606 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.548 4.823 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.255 3.601 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.112 5.113 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.735 5.097 1.408 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.413 9.319 2.411 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.729 10.739 2.281 1.00 0.00 C ATOM 1715 C ASN A 107 -4.617 11.625 2.836 1.00 0.00 C ATOM 1716 O ASN A 107 -4.272 12.647 2.244 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.048 11.051 3.001 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.233 11.113 2.058 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.559 12.173 1.524 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.893 9.982 1.852 1.00 0.00 N ATOM 0 H ASN A 107 -6.087 8.795 2.969 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.828 10.956 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.232 10.289 3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.955 12.003 3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.703 9.970 1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.591 9.124 2.314 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.054 11.232 3.967 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.035 12.047 4.596 1.00 0.00 C ATOM 1729 C GLY A 108 -1.636 11.725 4.110 1.00 0.00 C ATOM 1730 O GLY A 108 -0.777 12.607 4.039 1.00 0.00 O ATOM 0 H GLY A 108 -4.282 10.368 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.248 13.098 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.080 11.906 5.676 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.399 10.459 3.795 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.074 10.006 3.390 1.00 0.00 C ATOM 1736 C LEU A 109 0.208 10.311 1.918 1.00 0.00 C ATOM 1737 O LEU A 109 1.239 10.891 1.589 1.00 0.00 O ATOM 1738 CB LEU A 109 0.070 8.508 3.666 1.00 0.00 C ATOM 1739 CG LEU A 109 1.459 7.918 3.408 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.517 8.669 4.201 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.478 6.441 3.771 1.00 0.00 C ATOM 0 H LEU A 109 -2.108 9.726 3.812 1.00 0.00 H new ATOM 0 HA LEU A 109 0.662 10.553 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.197 8.321 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.653 7.972 3.050 1.00 0.00 H new ATOM 0 HG LEU A 109 1.686 8.023 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.497 8.234 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.519 9.718 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.295 8.595 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.471 6.033 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.231 6.322 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.746 5.908 3.164 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.705 9.921 1.037 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.472 10.058 -0.399 1.00 0.00 C ATOM 1755 C PHE A 110 -1.492 10.983 -1.054 1.00 0.00 C ATOM 1756 O PHE A 110 -1.436 11.215 -2.265 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.534 8.689 -1.085 1.00 0.00 C ATOM 1758 CG PHE A 110 0.468 7.692 -0.578 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.827 7.938 -0.683 1.00 0.00 C ATOM 1760 CD2 PHE A 110 0.048 6.502 -0.006 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.749 7.018 -0.223 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.965 5.577 0.454 1.00 0.00 C ATOM 1763 CZ PHE A 110 2.317 5.836 0.345 1.00 0.00 C ATOM 0 H PHE A 110 -1.605 9.511 1.286 1.00 0.00 H new ATOM 0 HA PHE A 110 0.520 10.493 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.535 8.277 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.382 8.826 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.170 8.860 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.008 6.295 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.806 7.223 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.625 4.653 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.036 5.114 0.704 1.00 0.00 H new