USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 831 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 137 TYR OH : rot -56:sc= -2.07! USER MOD Set 1.2: A 139 TYR OH : rot -105:sc= -4.6! USER MOD Set 2.1: A 52 THR OG1 : rot -37:sc= -0.71 USER MOD Set 2.2: A 63 ASN : amide:sc= -6.18! K(o=-6.9!,f=-3.1) USER MOD Set 3.1: A 44 SER OG : rot 61:sc= 1.11 USER MOD Set 3.2: A 49 HIS : no HE2:sc= -1.27! C(o=-0.16!,f=-7!) USER MOD Set 4.1: A 32 SER OG : rot 1:sc= -4.2! USER MOD Set 4.2: A 61 THR OG1 : rot 61:sc= -0.161 USER MOD Set 5.1: A 28 ASN : amide:sc= -20.6! C(o=-22!,f=-26!) USER MOD Set 5.2: A 54 SER OG : rot 117:sc= -1.26! USER MOD Set 6.1: A 18 TYR OH : rot 89:sc= -5.52! USER MOD Set 6.2: A 20 SER OG : rot 145:sc= -2.65! USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.593 K(o=-0.59,f=-0.058) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -4.85! C(o=-4.9!,f=-2.1!) USER MOD Single : A 15 SER OG : rot -66:sc= 1.58 USER MOD Single : A 23 THR OG1 : rot 140:sc= -4.96! USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 56 LYS NZ :NH3+ -123:sc= -0.118 (180deg=-0.519) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 58 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.26) USER MOD Single : A 59 SER OG : rot 20:sc= 0.84! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 68 CYS SG : rot 22:sc= -2.92 USER MOD Single : A 72 SER OG : rot 71:sc= 0.544 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-1.9!) USER MOD Single : A 97 HIS : no HE2:sc= -5.12! C(o=-5.1!,f=-6.9!) USER MOD Single : A 98 TYR OH : rot 162:sc= -13.9! USER MOD Single : A 99 MET CE :methyl -151:sc= -0.779 (180deg=-3.45!) USER MOD Single : A 136 TYR OH : rot 10:sc= -12.7! USER MOD Single : A 140 SER OG : rot 170:sc= -1.01 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 105:sc= 0.143 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : B 165 SER OG : rot 180:sc= -1.33 USER MOD Single : B 166 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.632 -22.464 8.397 1.00 0.00 N ATOM 2 CA GLU A 1 -4.636 -21.369 8.576 1.00 0.00 C ATOM 3 C GLU A 1 -4.706 -20.392 7.399 1.00 0.00 C ATOM 4 O GLU A 1 -5.048 -19.237 7.557 1.00 0.00 O ATOM 5 CB GLU A 1 -3.278 -22.071 8.610 1.00 0.00 C ATOM 6 CG GLU A 1 -2.958 -22.494 10.046 1.00 0.00 C ATOM 7 CD GLU A 1 -2.519 -23.960 10.060 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.345 -24.809 9.766 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.364 -24.209 10.364 1.00 0.00 O ATOM 0 H1 GLU A 1 -5.575 -23.120 9.202 1.00 0.00 H new ATOM 0 H2 GLU A 1 -6.589 -22.059 8.348 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.428 -22.978 7.516 1.00 0.00 H new ATOM 0 HA GLU A 1 -4.818 -20.789 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.291 -22.944 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.502 -21.404 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.169 -21.863 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.834 -22.360 10.680 1.00 0.00 H new ATOM 15 N TYR A 2 -4.383 -20.846 6.219 1.00 0.00 N ATOM 16 CA TYR A 2 -4.432 -19.942 5.034 1.00 0.00 C ATOM 17 C TYR A 2 -5.858 -19.430 4.817 1.00 0.00 C ATOM 18 O TYR A 2 -6.069 -18.302 4.419 1.00 0.00 O ATOM 19 CB TYR A 2 -3.986 -20.810 3.855 1.00 0.00 C ATOM 20 CG TYR A 2 -5.093 -21.767 3.485 1.00 0.00 C ATOM 21 CD1 TYR A 2 -5.237 -22.974 4.179 1.00 0.00 C ATOM 22 CD2 TYR A 2 -5.976 -21.448 2.446 1.00 0.00 C ATOM 23 CE1 TYR A 2 -6.263 -23.863 3.834 1.00 0.00 C ATOM 24 CE2 TYR A 2 -7.002 -22.336 2.102 1.00 0.00 C ATOM 25 CZ TYR A 2 -7.145 -23.544 2.795 1.00 0.00 C ATOM 26 OH TYR A 2 -8.157 -24.418 2.456 1.00 0.00 O ATOM 0 H TYR A 2 -4.088 -21.803 6.024 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.797 -19.065 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -3.735 -20.181 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -3.085 -21.364 4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.557 -23.220 4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.865 -20.517 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.374 -24.794 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.684 -22.089 1.302 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.678 -24.043 1.716 1.00 0.00 H new ATOM 36 N GLN A 3 -6.839 -20.251 5.077 1.00 0.00 N ATOM 37 CA GLN A 3 -8.251 -19.810 4.885 1.00 0.00 C ATOM 38 C GLN A 3 -8.516 -18.526 5.678 1.00 0.00 C ATOM 39 O GLN A 3 -9.229 -17.648 5.235 1.00 0.00 O ATOM 40 CB GLN A 3 -9.102 -20.959 5.425 1.00 0.00 C ATOM 41 CG GLN A 3 -10.491 -20.912 4.783 1.00 0.00 C ATOM 42 CD GLN A 3 -11.554 -21.199 5.844 1.00 0.00 C ATOM 43 OE1 GLN A 3 -12.657 -20.692 5.769 1.00 0.00 O ATOM 44 NE2 GLN A 3 -11.270 -21.996 6.836 1.00 0.00 N ATOM 0 H GLN A 3 -6.724 -21.207 5.414 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.477 -19.591 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.622 -21.914 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.188 -20.884 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -10.664 -19.933 4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.557 -21.646 3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.345 -22.422 6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.973 -22.194 7.548 1.00 0.00 H new ATOM 53 N LEU A 4 -7.947 -18.410 6.847 1.00 0.00 N ATOM 54 CA LEU A 4 -8.168 -17.182 7.664 1.00 0.00 C ATOM 55 C LEU A 4 -7.659 -15.949 6.911 1.00 0.00 C ATOM 56 O LEU A 4 -8.335 -14.945 6.814 1.00 0.00 O ATOM 57 CB LEU A 4 -7.357 -17.407 8.939 1.00 0.00 C ATOM 58 CG LEU A 4 -7.912 -18.618 9.691 1.00 0.00 C ATOM 59 CD1 LEU A 4 -6.779 -19.608 9.971 1.00 0.00 C ATOM 60 CD2 LEU A 4 -8.522 -18.158 11.016 1.00 0.00 C ATOM 0 H LEU A 4 -7.340 -19.111 7.271 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.223 -17.009 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.308 -17.569 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.402 -16.521 9.572 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.678 -19.102 9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.174 -20.471 10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.341 -19.936 9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.014 -19.123 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.918 -19.020 11.553 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.755 -17.674 11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.328 -17.451 10.819 1.00 0.00 H new ATOM 72 N VAL A 5 -6.472 -16.020 6.372 1.00 0.00 N ATOM 73 CA VAL A 5 -5.923 -14.856 5.620 1.00 0.00 C ATOM 74 C VAL A 5 -6.686 -14.684 4.304 1.00 0.00 C ATOM 75 O VAL A 5 -7.029 -13.587 3.911 1.00 0.00 O ATOM 76 CB VAL A 5 -4.461 -15.213 5.350 1.00 0.00 C ATOM 77 CG1 VAL A 5 -3.863 -14.209 4.364 1.00 0.00 C ATOM 78 CG2 VAL A 5 -3.676 -15.165 6.663 1.00 0.00 C ATOM 0 H VAL A 5 -5.859 -16.834 6.420 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.016 -13.920 6.171 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.404 -16.216 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.821 -14.464 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.422 -14.240 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.919 -13.206 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.633 -15.419 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.734 -14.162 7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.101 -15.880 7.367 1.00 0.00 H new ATOM 88 N VAL A 6 -6.956 -15.764 3.624 1.00 0.00 N ATOM 89 CA VAL A 6 -7.702 -15.671 2.336 1.00 0.00 C ATOM 90 C VAL A 6 -9.065 -15.014 2.568 1.00 0.00 C ATOM 91 O VAL A 6 -9.437 -14.078 1.889 1.00 0.00 O ATOM 92 CB VAL A 6 -7.871 -17.116 1.871 1.00 0.00 C ATOM 93 CG1 VAL A 6 -8.646 -17.141 0.552 1.00 0.00 C ATOM 94 CG2 VAL A 6 -6.494 -17.749 1.663 1.00 0.00 C ATOM 0 H VAL A 6 -6.692 -16.708 3.905 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.179 -15.067 1.594 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.420 -17.678 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.766 -18.172 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.627 -16.690 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.097 -16.579 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.614 -18.780 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.945 -17.186 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.940 -17.732 2.602 1.00 0.00 H new ATOM 104 N ASN A 7 -9.812 -15.495 3.525 1.00 0.00 N ATOM 105 CA ASN A 7 -11.146 -14.891 3.801 1.00 0.00 C ATOM 106 C ASN A 7 -10.978 -13.409 4.144 1.00 0.00 C ATOM 107 O ASN A 7 -11.731 -12.566 3.697 1.00 0.00 O ATOM 108 CB ASN A 7 -11.692 -15.662 5.004 1.00 0.00 C ATOM 109 CG ASN A 7 -12.533 -16.842 4.513 1.00 0.00 C ATOM 110 OD1 ASN A 7 -12.085 -17.628 3.703 1.00 0.00 O ATOM 111 ND2 ASN A 7 -13.744 -17.001 4.974 1.00 0.00 N ATOM 0 H ASN A 7 -9.556 -16.278 4.126 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.818 -14.952 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.870 -16.020 5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.298 -15.004 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.313 -17.785 4.654 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.121 -16.341 5.654 1.00 0.00 H new ATOM 118 N ALA A 8 -9.985 -13.087 4.926 1.00 0.00 N ATOM 119 CA ALA A 8 -9.751 -11.662 5.293 1.00 0.00 C ATOM 120 C ALA A 8 -9.452 -10.850 4.035 1.00 0.00 C ATOM 121 O ALA A 8 -9.928 -9.745 3.864 1.00 0.00 O ATOM 122 CB ALA A 8 -8.528 -11.689 6.202 1.00 0.00 C ATOM 0 H ALA A 8 -9.324 -13.751 5.328 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.614 -11.208 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.287 -10.674 6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.739 -12.302 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.681 -12.110 5.660 1.00 0.00 H new ATOM 128 N VAL A 9 -8.669 -11.399 3.148 1.00 0.00 N ATOM 129 CA VAL A 9 -8.338 -10.673 1.893 1.00 0.00 C ATOM 130 C VAL A 9 -9.631 -10.320 1.163 1.00 0.00 C ATOM 131 O VAL A 9 -9.774 -9.250 0.605 1.00 0.00 O ATOM 132 CB VAL A 9 -7.503 -11.661 1.074 1.00 0.00 C ATOM 133 CG1 VAL A 9 -7.613 -11.322 -0.414 1.00 0.00 C ATOM 134 CG2 VAL A 9 -6.039 -11.570 1.509 1.00 0.00 C ATOM 0 H VAL A 9 -8.244 -12.322 3.240 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.797 -9.743 2.068 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.874 -12.672 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.017 -12.028 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.656 -11.386 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.245 -10.310 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.442 -12.273 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.672 -10.557 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.958 -11.815 2.568 1.00 0.00 H new ATOM 144 N ARG A 10 -10.576 -11.217 1.168 1.00 0.00 N ATOM 145 CA ARG A 10 -11.868 -10.939 0.479 1.00 0.00 C ATOM 146 C ARG A 10 -12.482 -9.648 1.025 1.00 0.00 C ATOM 147 O ARG A 10 -12.894 -8.781 0.280 1.00 0.00 O ATOM 148 CB ARG A 10 -12.758 -12.139 0.809 1.00 0.00 C ATOM 149 CG ARG A 10 -13.033 -12.937 -0.467 1.00 0.00 C ATOM 150 CD ARG A 10 -14.543 -13.131 -0.633 1.00 0.00 C ATOM 151 NE ARG A 10 -14.704 -14.554 -1.040 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.860 -14.985 -1.469 1.00 0.00 C ATOM 153 NH1 ARG A 10 -16.876 -14.169 -1.542 1.00 0.00 N ATOM 154 NH2 ARG A 10 -15.999 -16.233 -1.825 1.00 0.00 N ATOM 0 H ARG A 10 -10.511 -12.130 1.618 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.747 -10.807 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.271 -12.774 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.696 -11.800 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.626 -12.412 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.535 -13.905 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.073 -12.924 0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.947 -12.456 -1.387 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.911 -15.193 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.768 -13.194 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.778 -14.507 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.205 -16.871 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.901 -16.570 -2.160 1.00 0.00 H new ATOM 168 N LYS A 11 -12.541 -9.512 2.322 1.00 0.00 N ATOM 169 CA LYS A 11 -13.121 -8.275 2.918 1.00 0.00 C ATOM 170 C LYS A 11 -12.104 -7.132 2.854 1.00 0.00 C ATOM 171 O LYS A 11 -12.449 -5.995 2.599 1.00 0.00 O ATOM 172 CB LYS A 11 -13.426 -8.642 4.371 1.00 0.00 C ATOM 173 CG LYS A 11 -14.650 -7.860 4.850 1.00 0.00 C ATOM 174 CD LYS A 11 -15.096 -8.396 6.212 1.00 0.00 C ATOM 175 CE LYS A 11 -15.573 -7.235 7.087 1.00 0.00 C ATOM 176 NZ LYS A 11 -14.389 -6.861 7.909 1.00 0.00 N ATOM 0 H LYS A 11 -12.212 -10.205 2.995 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.012 -7.938 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.610 -9.713 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.567 -8.415 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.411 -6.799 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.460 -7.953 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.899 -9.122 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.270 -8.916 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.913 -6.396 6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.412 -7.533 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.638 -6.070 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.092 -7.677 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.609 -6.575 7.284 1.00 0.00 H new ATOM 190 N LEU A 12 -10.853 -7.426 3.084 1.00 0.00 N ATOM 191 CA LEU A 12 -9.813 -6.357 3.038 1.00 0.00 C ATOM 192 C LEU A 12 -9.685 -5.801 1.618 1.00 0.00 C ATOM 193 O LEU A 12 -9.387 -4.640 1.420 1.00 0.00 O ATOM 194 CB LEU A 12 -8.516 -7.050 3.461 1.00 0.00 C ATOM 195 CG LEU A 12 -7.936 -6.347 4.690 1.00 0.00 C ATOM 196 CD1 LEU A 12 -8.137 -7.227 5.924 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.438 -6.104 4.479 1.00 0.00 C ATOM 0 H LEU A 12 -10.506 -8.360 3.302 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.058 -5.515 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.709 -8.099 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.796 -7.027 2.643 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.444 -5.394 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.724 -6.726 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.202 -7.403 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.629 -8.180 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.024 -5.603 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.932 -7.058 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.291 -5.478 3.599 1.00 0.00 H new ATOM 209 N GLN A 13 -9.908 -6.620 0.626 1.00 0.00 N ATOM 210 CA GLN A 13 -9.797 -6.135 -0.781 1.00 0.00 C ATOM 211 C GLN A 13 -10.901 -5.118 -1.080 1.00 0.00 C ATOM 212 O GLN A 13 -10.680 -4.126 -1.747 1.00 0.00 O ATOM 213 CB GLN A 13 -9.971 -7.385 -1.645 1.00 0.00 C ATOM 214 CG GLN A 13 -8.621 -8.084 -1.812 1.00 0.00 C ATOM 215 CD GLN A 13 -8.751 -9.210 -2.838 1.00 0.00 C ATOM 216 OE1 GLN A 13 -8.379 -9.050 -3.984 1.00 0.00 O ATOM 217 NE2 GLN A 13 -9.267 -10.352 -2.473 1.00 0.00 N ATOM 0 H GLN A 13 -10.162 -7.603 0.728 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.847 -5.636 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.688 -8.063 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.374 -7.112 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.867 -7.367 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.287 -8.486 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.579 -10.486 -1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.358 -11.110 -3.149 1.00 0.00 H new ATOM 226 N GLU A 14 -12.089 -5.355 -0.594 1.00 0.00 N ATOM 227 CA GLU A 14 -13.204 -4.401 -0.854 1.00 0.00 C ATOM 228 C GLU A 14 -12.849 -3.012 -0.318 1.00 0.00 C ATOM 229 O GLU A 14 -13.222 -2.003 -0.883 1.00 0.00 O ATOM 230 CB GLU A 14 -14.402 -4.978 -0.097 1.00 0.00 C ATOM 231 CG GLU A 14 -15.519 -5.311 -1.088 1.00 0.00 C ATOM 232 CD GLU A 14 -15.123 -6.540 -1.910 1.00 0.00 C ATOM 233 OE1 GLU A 14 -13.967 -6.926 -1.842 1.00 0.00 O ATOM 234 OE2 GLU A 14 -15.981 -7.073 -2.593 1.00 0.00 O ATOM 0 H GLU A 14 -12.335 -6.167 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.410 -4.286 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.105 -5.875 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.759 -4.261 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.449 -5.503 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.700 -4.462 -1.747 1.00 0.00 H new ATOM 241 N SER A 15 -12.130 -2.951 0.770 1.00 0.00 N ATOM 242 CA SER A 15 -11.751 -1.625 1.339 1.00 0.00 C ATOM 243 C SER A 15 -10.694 -0.953 0.460 1.00 0.00 C ATOM 244 O SER A 15 -10.707 0.246 0.266 1.00 0.00 O ATOM 245 CB SER A 15 -11.178 -1.939 2.721 1.00 0.00 C ATOM 246 OG SER A 15 -9.828 -2.364 2.584 1.00 0.00 O ATOM 0 H SER A 15 -11.789 -3.760 1.289 1.00 0.00 H new ATOM 0 HA SER A 15 -12.598 -0.941 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.231 -1.056 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.769 -2.717 3.204 1.00 0.00 H new ATOM 0 HG SER A 15 -9.801 -3.218 2.104 1.00 0.00 H new ATOM 252 N GLY A 16 -9.779 -1.715 -0.073 1.00 0.00 N ATOM 253 CA GLY A 16 -8.723 -1.117 -0.938 1.00 0.00 C ATOM 254 C GLY A 16 -7.484 -0.808 -0.095 1.00 0.00 C ATOM 255 O GLY A 16 -6.459 -0.402 -0.605 1.00 0.00 O ATOM 0 H GLY A 16 -9.717 -2.725 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.465 -1.805 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.094 -0.205 -1.405 1.00 0.00 H new ATOM 259 N PHE A 17 -7.571 -1.000 1.194 1.00 0.00 N ATOM 260 CA PHE A 17 -6.397 -0.717 2.070 1.00 0.00 C ATOM 261 C PHE A 17 -5.578 -1.995 2.278 1.00 0.00 C ATOM 262 O PHE A 17 -4.636 -2.025 3.045 1.00 0.00 O ATOM 263 CB PHE A 17 -7.004 -0.236 3.392 1.00 0.00 C ATOM 264 CG PHE A 17 -6.027 -0.474 4.521 1.00 0.00 C ATOM 265 CD1 PHE A 17 -4.851 0.281 4.599 1.00 0.00 C ATOM 266 CD2 PHE A 17 -6.299 -1.449 5.488 1.00 0.00 C ATOM 267 CE1 PHE A 17 -3.947 0.060 5.645 1.00 0.00 C ATOM 268 CE2 PHE A 17 -5.395 -1.669 6.534 1.00 0.00 C ATOM 269 CZ PHE A 17 -4.219 -0.914 6.612 1.00 0.00 C ATOM 0 H PHE A 17 -8.402 -1.340 1.678 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.721 0.023 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.247 0.825 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.937 -0.765 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.641 1.033 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.206 -2.032 5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.039 0.642 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.605 -2.421 7.280 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.521 -1.083 7.419 1.00 0.00 H new ATOM 279 N TYR A 18 -5.930 -3.051 1.599 1.00 0.00 N ATOM 280 CA TYR A 18 -5.175 -4.328 1.754 1.00 0.00 C ATOM 281 C TYR A 18 -4.041 -4.397 0.727 1.00 0.00 C ATOM 282 O TYR A 18 -4.237 -4.140 -0.443 1.00 0.00 O ATOM 283 CB TYR A 18 -6.206 -5.424 1.491 1.00 0.00 C ATOM 284 CG TYR A 18 -5.510 -6.759 1.381 1.00 0.00 C ATOM 285 CD1 TYR A 18 -4.291 -6.972 2.035 1.00 0.00 C ATOM 286 CD2 TYR A 18 -6.086 -7.783 0.623 1.00 0.00 C ATOM 287 CE1 TYR A 18 -3.648 -8.211 1.932 1.00 0.00 C ATOM 288 CE2 TYR A 18 -5.444 -9.021 0.520 1.00 0.00 C ATOM 289 CZ TYR A 18 -4.227 -9.236 1.174 1.00 0.00 C ATOM 290 OH TYR A 18 -3.598 -10.459 1.072 1.00 0.00 O ATOM 0 H TYR A 18 -6.709 -3.086 0.942 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.717 -4.425 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.938 -5.450 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.752 -5.211 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.846 -6.180 2.619 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.026 -7.618 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.707 -8.376 2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.889 -9.812 -0.065 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.885 -11.037 1.809 1.00 0.00 H new ATOM 300 N TRP A 19 -2.854 -4.734 1.155 1.00 0.00 N ATOM 301 CA TRP A 19 -1.716 -4.807 0.196 1.00 0.00 C ATOM 302 C TRP A 19 -1.052 -6.188 0.230 1.00 0.00 C ATOM 303 O TRP A 19 -0.302 -6.509 1.130 1.00 0.00 O ATOM 304 CB TRP A 19 -0.738 -3.735 0.670 1.00 0.00 C ATOM 305 CG TRP A 19 -1.103 -2.422 0.055 1.00 0.00 C ATOM 306 CD1 TRP A 19 -2.017 -1.559 0.552 1.00 0.00 C ATOM 307 CD2 TRP A 19 -0.576 -1.809 -1.158 1.00 0.00 C ATOM 308 NE1 TRP A 19 -2.086 -0.454 -0.278 1.00 0.00 N ATOM 309 CE2 TRP A 19 -1.218 -0.562 -1.346 1.00 0.00 C ATOM 310 CE3 TRP A 19 0.384 -2.211 -2.104 1.00 0.00 C ATOM 311 CZ2 TRP A 19 -0.916 0.259 -2.433 1.00 0.00 C ATOM 312 CZ3 TRP A 19 0.690 -1.387 -3.199 1.00 0.00 C ATOM 313 CH2 TRP A 19 0.042 -0.155 -3.364 1.00 0.00 C ATOM 0 H TRP A 19 -2.624 -4.961 2.123 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.043 -4.649 -0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -0.763 -3.659 1.757 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.280 -4.008 0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.598 -1.708 1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.703 0.343 -0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 19 0.889 -3.159 -1.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.418 1.207 -2.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.430 -1.705 -3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.282 0.474 -4.209 1.00 0.00 H new ATOM 324 N SER A 20 -1.310 -6.997 -0.760 1.00 0.00 N ATOM 325 CA SER A 20 -0.686 -8.352 -0.816 1.00 0.00 C ATOM 326 C SER A 20 0.092 -8.483 -2.119 1.00 0.00 C ATOM 327 O SER A 20 0.406 -9.566 -2.573 1.00 0.00 O ATOM 328 CB SER A 20 -1.857 -9.323 -0.809 1.00 0.00 C ATOM 329 OG SER A 20 -1.572 -10.398 0.075 1.00 0.00 O ATOM 0 H SER A 20 -1.931 -6.777 -1.539 1.00 0.00 H new ATOM 0 HA SER A 20 0.001 -8.538 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.767 -8.811 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.035 -9.702 -1.815 1.00 0.00 H new ATOM 0 HG SER A 20 -2.397 -10.683 0.520 1.00 0.00 H new ATOM 335 N ALA A 21 0.378 -7.374 -2.729 1.00 0.00 N ATOM 336 CA ALA A 21 1.113 -7.394 -4.028 1.00 0.00 C ATOM 337 C ALA A 21 2.629 -7.348 -3.813 1.00 0.00 C ATOM 338 O ALA A 21 3.396 -7.537 -4.736 1.00 0.00 O ATOM 339 CB ALA A 21 0.643 -6.138 -4.763 1.00 0.00 C ATOM 0 H ALA A 21 0.135 -6.445 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 21 0.912 -8.307 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.138 -6.077 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.436 -6.184 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.892 -5.256 -4.172 1.00 0.00 H new ATOM 345 N VAL A 22 3.074 -7.101 -2.613 1.00 0.00 N ATOM 346 CA VAL A 22 4.544 -7.050 -2.373 1.00 0.00 C ATOM 347 C VAL A 22 4.966 -8.208 -1.467 1.00 0.00 C ATOM 348 O VAL A 22 4.290 -9.212 -1.376 1.00 0.00 O ATOM 349 CB VAL A 22 4.808 -5.697 -1.701 1.00 0.00 C ATOM 350 CG1 VAL A 22 5.470 -4.760 -2.708 1.00 0.00 C ATOM 351 CG2 VAL A 22 3.491 -5.073 -1.228 1.00 0.00 C ATOM 0 H VAL A 22 2.490 -6.933 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 22 5.116 -7.147 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 22 5.460 -5.848 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.661 -3.796 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.413 -5.193 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.810 -4.621 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.693 -4.113 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.832 -4.923 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.010 -5.738 -0.511 1.00 0.00 H new ATOM 361 N THR A 23 6.078 -8.083 -0.799 1.00 0.00 N ATOM 362 CA THR A 23 6.531 -9.188 0.095 1.00 0.00 C ATOM 363 C THR A 23 6.092 -8.912 1.533 1.00 0.00 C ATOM 364 O THR A 23 5.523 -7.884 1.831 1.00 0.00 O ATOM 365 CB THR A 23 8.058 -9.205 -0.007 1.00 0.00 C ATOM 366 OG1 THR A 23 8.604 -8.331 0.970 1.00 0.00 O ATOM 367 CG2 THR A 23 8.494 -8.753 -1.404 1.00 0.00 C ATOM 0 H THR A 23 6.691 -7.269 -0.832 1.00 0.00 H new ATOM 0 HA THR A 23 6.102 -10.147 -0.195 1.00 0.00 H new ATOM 0 HB THR A 23 8.419 -10.219 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.403 -8.740 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.582 -8.768 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.077 -9.428 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.134 -7.741 -1.588 1.00 0.00 H new ATOM 375 N GLY A 24 6.346 -9.828 2.425 1.00 0.00 N ATOM 376 CA GLY A 24 5.935 -9.623 3.841 1.00 0.00 C ATOM 377 C GLY A 24 6.464 -8.282 4.355 1.00 0.00 C ATOM 378 O GLY A 24 5.711 -7.362 4.608 1.00 0.00 O ATOM 0 H GLY A 24 6.821 -10.710 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.848 -9.648 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.318 -10.435 4.460 1.00 0.00 H new ATOM 382 N GLY A 25 7.751 -8.167 4.532 1.00 0.00 N ATOM 383 CA GLY A 25 8.321 -6.891 5.052 1.00 0.00 C ATOM 384 C GLY A 25 8.433 -5.847 3.937 1.00 0.00 C ATOM 385 O GLY A 25 8.167 -4.680 4.147 1.00 0.00 O ATOM 0 H GLY A 25 8.433 -8.901 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.690 -6.506 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.305 -7.076 5.482 1.00 0.00 H new ATOM 389 N GLU A 26 8.841 -6.241 2.763 1.00 0.00 N ATOM 390 CA GLU A 26 8.983 -5.244 1.660 1.00 0.00 C ATOM 391 C GLU A 26 7.645 -4.564 1.370 1.00 0.00 C ATOM 392 O GLU A 26 7.599 -3.436 0.926 1.00 0.00 O ATOM 393 CB GLU A 26 9.453 -6.045 0.447 1.00 0.00 C ATOM 394 CG GLU A 26 10.248 -5.133 -0.489 1.00 0.00 C ATOM 395 CD GLU A 26 11.661 -4.939 0.066 1.00 0.00 C ATOM 396 OE1 GLU A 26 12.382 -5.920 0.153 1.00 0.00 O ATOM 397 OE2 GLU A 26 11.998 -3.813 0.394 1.00 0.00 O ATOM 0 H GLU A 26 9.081 -7.202 2.518 1.00 0.00 H new ATOM 0 HA GLU A 26 9.685 -4.452 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.072 -6.883 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.596 -6.466 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.294 -5.570 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.748 -4.169 -0.586 1.00 0.00 H new ATOM 404 N ALA A 27 6.556 -5.233 1.620 1.00 0.00 N ATOM 405 CA ALA A 27 5.231 -4.606 1.358 1.00 0.00 C ATOM 406 C ALA A 27 4.885 -3.622 2.477 1.00 0.00 C ATOM 407 O ALA A 27 4.391 -2.539 2.237 1.00 0.00 O ATOM 408 CB ALA A 27 4.233 -5.765 1.343 1.00 0.00 C ATOM 0 H ALA A 27 6.525 -6.182 1.993 1.00 0.00 H new ATOM 0 HA ALA A 27 5.219 -4.048 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.231 -5.380 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.505 -6.469 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.251 -6.273 2.307 1.00 0.00 H new ATOM 414 N ASN A 28 5.130 -3.999 3.702 1.00 0.00 N ATOM 415 CA ASN A 28 4.807 -3.094 4.840 1.00 0.00 C ATOM 416 C ASN A 28 5.736 -1.872 4.861 1.00 0.00 C ATOM 417 O ASN A 28 5.304 -0.756 5.061 1.00 0.00 O ATOM 418 CB ASN A 28 4.990 -3.967 6.085 1.00 0.00 C ATOM 419 CG ASN A 28 6.295 -3.612 6.799 1.00 0.00 C ATOM 420 OD1 ASN A 28 6.303 -2.827 7.726 1.00 0.00 O ATOM 421 ND2 ASN A 28 7.408 -4.160 6.399 1.00 0.00 N ATOM 0 H ASN A 28 5.540 -4.895 3.964 1.00 0.00 H new ATOM 0 HA ASN A 28 3.799 -2.685 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.148 -3.826 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.998 -5.019 5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.286 -3.930 6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.401 -4.819 5.621 1.00 0.00 H new ATOM 428 N LEU A 29 7.009 -2.079 4.677 1.00 0.00 N ATOM 429 CA LEU A 29 7.975 -0.940 4.710 1.00 0.00 C ATOM 430 C LEU A 29 7.821 -0.025 3.488 1.00 0.00 C ATOM 431 O LEU A 29 8.061 1.164 3.567 1.00 0.00 O ATOM 432 CB LEU A 29 9.354 -1.597 4.728 1.00 0.00 C ATOM 433 CG LEU A 29 9.932 -1.530 6.146 1.00 0.00 C ATOM 434 CD1 LEU A 29 8.819 -1.763 7.175 1.00 0.00 C ATOM 435 CD2 LEU A 29 11.006 -2.609 6.308 1.00 0.00 C ATOM 0 H LEU A 29 7.427 -2.993 4.504 1.00 0.00 H new ATOM 0 HA LEU A 29 7.808 -0.300 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.279 -2.635 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.019 -1.091 4.028 1.00 0.00 H new ATOM 0 HG LEU A 29 10.371 -0.546 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.237 -1.714 8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.053 -0.996 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.375 -2.745 7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.419 -2.563 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.563 -3.591 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.802 -2.442 5.582 1.00 0.00 H new ATOM 447 N LEU A 30 7.447 -0.557 2.359 1.00 0.00 N ATOM 448 CA LEU A 30 7.313 0.309 1.148 1.00 0.00 C ATOM 449 C LEU A 30 6.363 1.473 1.433 1.00 0.00 C ATOM 450 O LEU A 30 6.433 2.508 0.801 1.00 0.00 O ATOM 451 CB LEU A 30 6.745 -0.603 0.057 1.00 0.00 C ATOM 452 CG LEU A 30 5.230 -0.738 0.225 1.00 0.00 C ATOM 453 CD1 LEU A 30 4.533 0.470 -0.406 1.00 0.00 C ATOM 454 CD2 LEU A 30 4.753 -2.015 -0.468 1.00 0.00 C ATOM 0 H LEU A 30 7.229 -1.544 2.219 1.00 0.00 H new ATOM 0 HA LEU A 30 8.266 0.746 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.975 -0.194 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.214 -1.585 0.112 1.00 0.00 H new ATOM 0 HG LEU A 30 4.987 -0.784 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.454 0.372 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.871 1.383 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.776 0.517 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.674 -2.112 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.998 -1.967 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.247 -2.878 -0.021 1.00 0.00 H new ATOM 466 N LEU A 31 5.487 1.323 2.383 1.00 0.00 N ATOM 467 CA LEU A 31 4.554 2.436 2.706 1.00 0.00 C ATOM 468 C LEU A 31 5.283 3.488 3.548 1.00 0.00 C ATOM 469 O LEU A 31 5.091 4.677 3.385 1.00 0.00 O ATOM 470 CB LEU A 31 3.420 1.790 3.503 1.00 0.00 C ATOM 471 CG LEU A 31 3.901 1.488 4.922 1.00 0.00 C ATOM 472 CD1 LEU A 31 3.708 2.724 5.801 1.00 0.00 C ATOM 473 CD2 LEU A 31 3.094 0.324 5.497 1.00 0.00 C ATOM 0 H LEU A 31 5.376 0.481 2.949 1.00 0.00 H new ATOM 0 HA LEU A 31 4.177 2.940 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.558 2.456 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.095 0.871 3.014 1.00 0.00 H new ATOM 0 HG LEU A 31 4.958 1.221 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.051 2.508 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.283 3.555 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.652 2.992 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.437 0.108 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.037 0.591 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.232 -0.558 4.872 1.00 0.00 H new ATOM 485 N SER A 32 6.124 3.053 4.446 1.00 0.00 N ATOM 486 CA SER A 32 6.877 4.015 5.301 1.00 0.00 C ATOM 487 C SER A 32 7.919 4.767 4.468 1.00 0.00 C ATOM 488 O SER A 32 8.229 5.911 4.730 1.00 0.00 O ATOM 489 CB SER A 32 7.562 3.148 6.357 1.00 0.00 C ATOM 490 OG SER A 32 8.202 2.050 5.720 1.00 0.00 O ATOM 0 H SER A 32 6.323 2.069 4.625 1.00 0.00 H new ATOM 0 HA SER A 32 6.226 4.768 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.292 3.738 6.911 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.830 2.788 7.079 1.00 0.00 H new ATOM 0 HG SER A 32 8.066 2.109 4.751 1.00 0.00 H new ATOM 496 N ALA A 33 8.472 4.125 3.475 1.00 0.00 N ATOM 497 CA ALA A 33 9.509 4.796 2.638 1.00 0.00 C ATOM 498 C ALA A 33 8.862 5.706 1.588 1.00 0.00 C ATOM 499 O ALA A 33 9.493 6.603 1.066 1.00 0.00 O ATOM 500 CB ALA A 33 10.267 3.655 1.961 1.00 0.00 C ATOM 0 H ALA A 33 8.251 3.166 3.207 1.00 0.00 H new ATOM 0 HA ALA A 33 10.163 5.431 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.051 4.066 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.715 3.015 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.577 3.069 1.354 1.00 0.00 H new ATOM 506 N GLU A 34 7.615 5.490 1.269 1.00 0.00 N ATOM 507 CA GLU A 34 6.961 6.361 0.247 1.00 0.00 C ATOM 508 C GLU A 34 5.805 7.157 0.868 1.00 0.00 C ATOM 509 O GLU A 34 5.939 8.343 1.101 1.00 0.00 O ATOM 510 CB GLU A 34 6.461 5.406 -0.838 1.00 0.00 C ATOM 511 CG GLU A 34 7.521 5.279 -1.933 1.00 0.00 C ATOM 512 CD GLU A 34 7.684 6.623 -2.644 1.00 0.00 C ATOM 513 OE1 GLU A 34 6.852 6.934 -3.481 1.00 0.00 O ATOM 514 OE2 GLU A 34 8.637 7.321 -2.338 1.00 0.00 O ATOM 0 H GLU A 34 7.025 4.758 1.665 1.00 0.00 H new ATOM 0 HA GLU A 34 7.650 7.101 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.249 4.428 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.528 5.777 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.471 4.967 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.230 4.510 -2.649 1.00 0.00 H new ATOM 521 N PRO A 35 4.703 6.496 1.116 1.00 0.00 N ATOM 522 CA PRO A 35 3.534 7.188 1.711 1.00 0.00 C ATOM 523 C PRO A 35 3.801 7.529 3.179 1.00 0.00 C ATOM 524 O PRO A 35 3.249 6.927 4.077 1.00 0.00 O ATOM 525 CB PRO A 35 2.407 6.167 1.586 1.00 0.00 C ATOM 526 CG PRO A 35 3.093 4.843 1.525 1.00 0.00 C ATOM 527 CD PRO A 35 4.434 5.072 0.875 1.00 0.00 C ATOM 0 HA PRO A 35 3.302 8.132 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.728 6.221 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.811 6.345 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.215 4.425 2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.503 4.129 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.205 4.439 1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.406 4.845 -0.191 1.00 0.00 H new ATOM 535 N ALA A 36 4.643 8.494 3.431 1.00 0.00 N ATOM 536 CA ALA A 36 4.936 8.873 4.845 1.00 0.00 C ATOM 537 C ALA A 36 3.639 9.264 5.561 1.00 0.00 C ATOM 538 O ALA A 36 2.771 9.895 4.992 1.00 0.00 O ATOM 539 CB ALA A 36 5.876 10.072 4.748 1.00 0.00 C ATOM 0 H ALA A 36 5.139 9.035 2.723 1.00 0.00 H new ATOM 0 HA ALA A 36 5.380 8.054 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.138 10.411 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.781 9.782 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.380 10.880 4.210 1.00 0.00 H new ATOM 545 N GLY A 37 3.498 8.890 6.804 1.00 0.00 N ATOM 546 CA GLY A 37 2.254 9.239 7.549 1.00 0.00 C ATOM 547 C GLY A 37 1.131 8.295 7.118 1.00 0.00 C ATOM 548 O GLY A 37 -0.037 8.576 7.299 1.00 0.00 O ATOM 0 H GLY A 37 4.189 8.359 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.423 9.157 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.973 10.273 7.349 1.00 0.00 H new ATOM 552 N THR A 38 1.481 7.177 6.546 1.00 0.00 N ATOM 553 CA THR A 38 0.444 6.207 6.092 1.00 0.00 C ATOM 554 C THR A 38 0.823 4.790 6.538 1.00 0.00 C ATOM 555 O THR A 38 1.986 4.452 6.637 1.00 0.00 O ATOM 556 CB THR A 38 0.423 6.323 4.563 1.00 0.00 C ATOM 557 OG1 THR A 38 -0.786 6.952 4.159 1.00 0.00 O ATOM 558 CG2 THR A 38 0.512 4.934 3.924 1.00 0.00 C ATOM 0 H THR A 38 2.445 6.892 6.372 1.00 0.00 H new ATOM 0 HA THR A 38 -0.538 6.416 6.516 1.00 0.00 H new ATOM 0 HB THR A 38 1.278 6.916 4.238 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.804 7.030 3.182 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.496 5.031 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.439 4.451 4.231 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.336 4.330 4.247 1.00 0.00 H new ATOM 566 N PHE A 39 -0.147 3.963 6.815 1.00 0.00 N ATOM 567 CA PHE A 39 0.165 2.575 7.261 1.00 0.00 C ATOM 568 C PHE A 39 -0.479 1.564 6.310 1.00 0.00 C ATOM 569 O PHE A 39 -1.396 1.883 5.579 1.00 0.00 O ATOM 570 CB PHE A 39 -0.447 2.463 8.657 1.00 0.00 C ATOM 571 CG PHE A 39 -1.936 2.694 8.576 1.00 0.00 C ATOM 572 CD1 PHE A 39 -2.775 1.688 8.082 1.00 0.00 C ATOM 573 CD2 PHE A 39 -2.479 3.913 8.997 1.00 0.00 C ATOM 574 CE1 PHE A 39 -4.157 1.901 8.012 1.00 0.00 C ATOM 575 CE2 PHE A 39 -3.860 4.127 8.926 1.00 0.00 C ATOM 576 CZ PHE A 39 -4.699 3.121 8.433 1.00 0.00 C ATOM 0 H PHE A 39 -1.140 4.187 6.752 1.00 0.00 H new ATOM 0 HA PHE A 39 1.236 2.370 7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.244 1.478 9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.009 3.194 9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.356 0.748 7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.832 4.689 9.377 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.805 1.124 7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.278 5.068 9.251 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.765 3.286 8.377 1.00 0.00 H new ATOM 586 N LEU A 40 0.009 0.352 6.294 1.00 0.00 N ATOM 587 CA LEU A 40 -0.561 -0.665 5.366 1.00 0.00 C ATOM 588 C LEU A 40 -0.373 -2.078 5.929 1.00 0.00 C ATOM 589 O LEU A 40 0.467 -2.316 6.774 1.00 0.00 O ATOM 590 CB LEU A 40 0.225 -0.474 4.063 1.00 0.00 C ATOM 591 CG LEU A 40 0.448 -1.818 3.365 1.00 0.00 C ATOM 592 CD1 LEU A 40 0.873 -1.567 1.917 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.553 -2.596 4.084 1.00 0.00 C ATOM 0 H LEU A 40 0.775 0.024 6.882 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.634 -0.544 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.318 0.200 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.186 -0.006 4.277 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.476 -2.396 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.033 -2.521 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.091 -1.011 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.798 -0.990 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.709 -3.552 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.478 -2.020 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.260 -2.771 5.119 1.00 0.00 H new ATOM 605 N ILE A 41 -1.148 -3.015 5.458 1.00 0.00 N ATOM 606 CA ILE A 41 -1.023 -4.418 5.949 1.00 0.00 C ATOM 607 C ILE A 41 -0.542 -5.324 4.807 1.00 0.00 C ATOM 608 O ILE A 41 -1.028 -5.248 3.697 1.00 0.00 O ATOM 609 CB ILE A 41 -2.439 -4.803 6.383 1.00 0.00 C ATOM 610 CG1 ILE A 41 -2.361 -5.920 7.425 1.00 0.00 C ATOM 611 CG2 ILE A 41 -3.244 -5.283 5.172 1.00 0.00 C ATOM 612 CD1 ILE A 41 -2.090 -7.258 6.733 1.00 0.00 C ATOM 0 H ILE A 41 -1.867 -2.869 4.750 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.305 -4.520 6.763 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.934 -3.933 6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.570 -5.705 8.143 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.294 -5.973 7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.251 -5.555 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.300 -4.484 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.755 -6.152 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.035 -8.050 7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.896 -7.475 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.145 -7.203 6.193 1.00 0.00 H new ATOM 624 N ARG A 42 0.409 -6.180 5.069 1.00 0.00 N ATOM 625 CA ARG A 42 0.917 -7.087 3.996 1.00 0.00 C ATOM 626 C ARG A 42 0.544 -8.540 4.316 1.00 0.00 C ATOM 627 O ARG A 42 0.773 -9.024 5.405 1.00 0.00 O ATOM 628 CB ARG A 42 2.437 -6.904 4.016 1.00 0.00 C ATOM 629 CG ARG A 42 3.115 -8.150 3.441 1.00 0.00 C ATOM 630 CD ARG A 42 2.588 -8.420 2.030 1.00 0.00 C ATOM 631 NE ARG A 42 3.150 -9.749 1.660 1.00 0.00 N ATOM 632 CZ ARG A 42 2.890 -10.264 0.488 1.00 0.00 C ATOM 633 NH1 ARG A 42 2.143 -9.614 -0.362 1.00 0.00 N ATOM 634 NH2 ARG A 42 3.382 -11.430 0.166 1.00 0.00 N ATOM 0 H ARG A 42 0.857 -6.291 5.979 1.00 0.00 H new ATOM 0 HA ARG A 42 0.491 -6.858 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.715 -6.026 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.779 -6.731 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.195 -8.008 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.921 -9.010 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.498 -8.432 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.910 -7.647 1.333 1.00 0.00 H new ATOM 0 HE ARG A 42 3.738 -10.257 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.761 -8.702 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.941 -10.018 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.968 -11.937 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.180 -11.834 -0.749 1.00 0.00 H new ATOM 648 N ASP A 43 -0.030 -9.235 3.373 1.00 0.00 N ATOM 649 CA ASP A 43 -0.419 -10.654 3.622 1.00 0.00 C ATOM 650 C ASP A 43 0.640 -11.603 3.052 1.00 0.00 C ATOM 651 O ASP A 43 1.148 -11.401 1.967 1.00 0.00 O ATOM 652 CB ASP A 43 -1.746 -10.829 2.885 1.00 0.00 C ATOM 653 CG ASP A 43 -2.904 -10.560 3.846 1.00 0.00 C ATOM 654 OD1 ASP A 43 -2.644 -10.393 5.025 1.00 0.00 O ATOM 655 OD2 ASP A 43 -4.033 -10.525 3.385 1.00 0.00 O ATOM 0 H ASP A 43 -0.247 -8.883 2.441 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.506 -10.880 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.796 -10.145 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.820 -11.840 2.483 1.00 0.00 H new ATOM 660 N SER A 44 0.974 -12.638 3.775 1.00 0.00 N ATOM 661 CA SER A 44 1.998 -13.605 3.277 1.00 0.00 C ATOM 662 C SER A 44 3.393 -12.978 3.321 1.00 0.00 C ATOM 663 O SER A 44 3.549 -11.776 3.231 1.00 0.00 O ATOM 664 CB SER A 44 1.592 -13.910 1.836 1.00 0.00 C ATOM 665 OG SER A 44 1.639 -15.316 1.622 1.00 0.00 O ATOM 0 H SER A 44 0.582 -12.857 4.691 1.00 0.00 H new ATOM 0 HA SER A 44 2.040 -14.507 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.587 -13.534 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.262 -13.402 1.142 1.00 0.00 H new ATOM 0 HG SER A 44 1.014 -15.761 2.232 1.00 0.00 H new ATOM 735 N HIS A 49 3.129 -18.217 5.252 1.00 0.00 N ATOM 736 CA HIS A 49 2.015 -17.369 4.737 1.00 0.00 C ATOM 737 C HIS A 49 1.107 -16.927 5.890 1.00 0.00 C ATOM 738 O HIS A 49 0.876 -17.665 6.827 1.00 0.00 O ATOM 739 CB HIS A 49 1.251 -18.264 3.761 1.00 0.00 C ATOM 740 CG HIS A 49 -0.077 -17.636 3.437 1.00 0.00 C ATOM 741 ND1 HIS A 49 -0.342 -17.066 2.202 1.00 0.00 N ATOM 742 CD2 HIS A 49 -1.223 -17.480 4.176 1.00 0.00 C ATOM 743 CE1 HIS A 49 -1.603 -16.599 2.234 1.00 0.00 C ATOM 744 NE2 HIS A 49 -2.185 -16.824 3.414 1.00 0.00 N ATOM 0 HA HIS A 49 2.377 -16.461 4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.831 -18.404 2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.101 -19.251 4.198 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.302 -17.011 1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.358 -17.815 5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.086 -16.102 1.406 1.00 0.00 H new ATOM 752 N PHE A 50 0.593 -15.728 5.831 1.00 0.00 N ATOM 753 CA PHE A 50 -0.296 -15.241 6.925 1.00 0.00 C ATOM 754 C PHE A 50 -0.590 -13.746 6.746 1.00 0.00 C ATOM 755 O PHE A 50 -0.518 -13.215 5.657 1.00 0.00 O ATOM 756 CB PHE A 50 0.493 -15.483 8.215 1.00 0.00 C ATOM 757 CG PHE A 50 1.937 -15.097 8.004 1.00 0.00 C ATOM 758 CD1 PHE A 50 2.267 -13.778 7.666 1.00 0.00 C ATOM 759 CD2 PHE A 50 2.946 -16.057 8.144 1.00 0.00 C ATOM 760 CE1 PHE A 50 3.607 -13.421 7.469 1.00 0.00 C ATOM 761 CE2 PHE A 50 4.286 -15.699 7.947 1.00 0.00 C ATOM 762 CZ PHE A 50 4.616 -14.380 7.611 1.00 0.00 C ATOM 0 H PHE A 50 0.750 -15.065 5.072 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.258 -15.753 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.065 -14.899 9.030 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.425 -16.532 8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.489 -13.037 7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.691 -17.074 8.404 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.862 -12.405 7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.064 -16.440 8.054 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.649 -14.103 7.462 1.00 0.00 H new ATOM 772 N PHE A 51 -0.922 -13.069 7.811 1.00 0.00 N ATOM 773 CA PHE A 51 -1.223 -11.611 7.714 1.00 0.00 C ATOM 774 C PHE A 51 -0.189 -10.811 8.514 1.00 0.00 C ATOM 775 O PHE A 51 0.209 -11.205 9.591 1.00 0.00 O ATOM 776 CB PHE A 51 -2.610 -11.462 8.343 1.00 0.00 C ATOM 777 CG PHE A 51 -3.591 -10.925 7.327 1.00 0.00 C ATOM 778 CD1 PHE A 51 -4.254 -11.802 6.459 1.00 0.00 C ATOM 779 CD2 PHE A 51 -3.848 -9.549 7.261 1.00 0.00 C ATOM 780 CE1 PHE A 51 -5.172 -11.304 5.527 1.00 0.00 C ATOM 781 CE2 PHE A 51 -4.765 -9.051 6.328 1.00 0.00 C ATOM 782 CZ PHE A 51 -5.427 -9.928 5.462 1.00 0.00 C ATOM 0 H PHE A 51 -0.998 -13.464 8.748 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.192 -11.243 6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.953 -12.427 8.716 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.558 -10.790 9.199 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.057 -12.863 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.338 -8.872 7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.684 -11.980 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.961 -7.990 6.277 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.135 -9.544 4.743 1.00 0.00 H new ATOM 792 N THR A 52 0.251 -9.692 8.003 1.00 0.00 N ATOM 793 CA THR A 52 1.257 -8.884 8.752 1.00 0.00 C ATOM 794 C THR A 52 0.729 -7.465 8.988 1.00 0.00 C ATOM 795 O THR A 52 0.009 -6.921 8.177 1.00 0.00 O ATOM 796 CB THR A 52 2.499 -8.856 7.860 1.00 0.00 C ATOM 797 OG1 THR A 52 2.285 -7.961 6.779 1.00 0.00 O ATOM 798 CG2 THR A 52 2.775 -10.260 7.319 1.00 0.00 C ATOM 0 H THR A 52 -0.040 -9.304 7.106 1.00 0.00 H new ATOM 0 HA THR A 52 1.475 -9.308 9.732 1.00 0.00 H new ATOM 0 HB THR A 52 3.357 -8.521 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.353 -8.022 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.660 -10.238 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.943 -10.944 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.919 -10.600 6.736 1.00 0.00 H new ATOM 806 N LEU A 53 1.079 -6.863 10.095 1.00 0.00 N ATOM 807 CA LEU A 53 0.591 -5.481 10.380 1.00 0.00 C ATOM 808 C LEU A 53 1.787 -4.531 10.551 1.00 0.00 C ATOM 809 O LEU A 53 2.652 -4.754 11.373 1.00 0.00 O ATOM 810 CB LEU A 53 -0.196 -5.644 11.694 1.00 0.00 C ATOM 811 CG LEU A 53 0.597 -5.086 12.878 1.00 0.00 C ATOM 812 CD1 LEU A 53 0.459 -3.562 12.914 1.00 0.00 C ATOM 813 CD2 LEU A 53 0.042 -5.675 14.176 1.00 0.00 C ATOM 0 H LEU A 53 1.680 -7.268 10.813 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.020 -5.056 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.153 -5.128 11.616 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.416 -6.698 11.863 1.00 0.00 H new ATOM 0 HG LEU A 53 1.649 -5.352 12.771 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.024 -3.165 13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.846 -3.140 11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.592 -3.294 13.023 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.603 -5.281 15.023 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.009 -5.404 14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.136 -6.761 14.152 1.00 0.00 H new ATOM 825 N SER A 54 1.861 -3.484 9.770 1.00 0.00 N ATOM 826 CA SER A 54 3.024 -2.556 9.904 1.00 0.00 C ATOM 827 C SER A 54 2.640 -1.086 9.689 1.00 0.00 C ATOM 828 O SER A 54 1.674 -0.771 9.023 1.00 0.00 O ATOM 829 CB SER A 54 4.024 -3.016 8.852 1.00 0.00 C ATOM 830 OG SER A 54 4.107 -2.038 7.823 1.00 0.00 O ATOM 0 H SER A 54 1.178 -3.234 9.055 1.00 0.00 H new ATOM 0 HA SER A 54 3.432 -2.594 10.914 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.003 -3.167 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.715 -3.974 8.435 1.00 0.00 H new ATOM 0 HG SER A 54 5.012 -1.664 7.800 1.00 0.00 H new ATOM 836 N VAL A 55 3.418 -0.186 10.240 1.00 0.00 N ATOM 837 CA VAL A 55 3.139 1.272 10.066 1.00 0.00 C ATOM 838 C VAL A 55 4.453 2.051 9.950 1.00 0.00 C ATOM 839 O VAL A 55 5.527 1.506 10.113 1.00 0.00 O ATOM 840 CB VAL A 55 2.397 1.698 11.328 1.00 0.00 C ATOM 841 CG1 VAL A 55 3.391 1.819 12.488 1.00 0.00 C ATOM 842 CG2 VAL A 55 1.730 3.054 11.090 1.00 0.00 C ATOM 0 H VAL A 55 4.239 -0.401 10.806 1.00 0.00 H new ATOM 0 HA VAL A 55 2.559 1.467 9.164 1.00 0.00 H new ATOM 0 HB VAL A 55 1.639 0.954 11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.861 2.124 13.391 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.872 0.856 12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.148 2.564 12.242 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.199 3.361 11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.491 3.796 10.847 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.025 2.972 10.263 1.00 0.00 H new ATOM 852 N LYS A 56 4.374 3.326 9.683 1.00 0.00 N ATOM 853 CA LYS A 56 5.615 4.147 9.572 1.00 0.00 C ATOM 854 C LYS A 56 5.642 5.202 10.682 1.00 0.00 C ATOM 855 O LYS A 56 4.716 5.974 10.837 1.00 0.00 O ATOM 856 CB LYS A 56 5.530 4.818 8.200 1.00 0.00 C ATOM 857 CG LYS A 56 6.748 5.720 7.997 1.00 0.00 C ATOM 858 CD LYS A 56 6.286 7.119 7.589 1.00 0.00 C ATOM 859 CE LYS A 56 5.853 7.897 8.835 1.00 0.00 C ATOM 860 NZ LYS A 56 6.112 9.326 8.505 1.00 0.00 N ATOM 0 H LYS A 56 3.503 3.836 9.537 1.00 0.00 H new ATOM 0 HA LYS A 56 6.519 3.547 9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.489 4.062 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.614 5.404 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.332 5.772 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.399 5.302 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.093 7.646 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.457 7.049 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.800 7.728 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.420 7.585 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.752 9.736 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.552 9.391 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.214 9.850 8.504 1.00 0.00 H new ATOM 874 N THR A 57 6.691 5.242 11.458 1.00 0.00 N ATOM 875 CA THR A 57 6.762 6.250 12.556 1.00 0.00 C ATOM 876 C THR A 57 8.221 6.570 12.897 1.00 0.00 C ATOM 877 O THR A 57 9.122 6.295 12.129 1.00 0.00 O ATOM 878 CB THR A 57 6.067 5.588 13.747 1.00 0.00 C ATOM 879 OG1 THR A 57 5.135 4.625 13.272 1.00 0.00 O ATOM 880 CG2 THR A 57 5.335 6.649 14.569 1.00 0.00 C ATOM 0 H THR A 57 7.499 4.624 11.381 1.00 0.00 H new ATOM 0 HA THR A 57 6.290 7.192 12.278 1.00 0.00 H new ATOM 0 HB THR A 57 6.810 5.097 14.375 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.689 4.198 14.033 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.841 6.175 15.417 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.051 7.386 14.932 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.591 7.143 13.945 1.00 0.00 H new ATOM 888 N GLN A 58 8.457 7.152 14.042 1.00 0.00 N ATOM 889 CA GLN A 58 9.855 7.493 14.432 1.00 0.00 C ATOM 890 C GLN A 58 10.575 6.252 14.966 1.00 0.00 C ATOM 891 O GLN A 58 11.788 6.171 14.948 1.00 0.00 O ATOM 892 CB GLN A 58 9.714 8.543 15.534 1.00 0.00 C ATOM 893 CG GLN A 58 8.810 9.677 15.047 1.00 0.00 C ATOM 894 CD GLN A 58 7.866 10.096 16.175 1.00 0.00 C ATOM 895 OE1 GLN A 58 7.147 9.279 16.715 1.00 0.00 O ATOM 896 NE2 GLN A 58 7.835 11.344 16.555 1.00 0.00 N ATOM 0 H GLN A 58 7.742 7.406 14.724 1.00 0.00 H new ATOM 0 HA GLN A 58 10.439 7.861 13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.294 8.089 16.432 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.694 8.936 15.804 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.414 10.527 14.729 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.236 9.352 14.180 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.439 12.030 16.102 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.207 11.633 17.305 1.00 0.00 H new ATOM 905 N SER A 59 9.838 5.284 15.439 1.00 0.00 N ATOM 906 CA SER A 59 10.484 4.050 15.971 1.00 0.00 C ATOM 907 C SER A 59 10.841 3.103 14.821 1.00 0.00 C ATOM 908 O SER A 59 11.150 1.947 15.030 1.00 0.00 O ATOM 909 CB SER A 59 9.435 3.415 16.881 1.00 0.00 C ATOM 910 OG SER A 59 9.617 2.005 16.896 1.00 0.00 O ATOM 0 H SER A 59 8.819 5.294 15.480 1.00 0.00 H new ATOM 0 HA SER A 59 11.410 4.265 16.505 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.523 3.815 17.891 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.434 3.660 16.527 1.00 0.00 H new ATOM 0 HG SER A 59 10.525 1.789 16.598 1.00 0.00 H new ATOM 916 N GLY A 60 10.798 3.585 13.609 1.00 0.00 N ATOM 917 CA GLY A 60 11.132 2.713 12.449 1.00 0.00 C ATOM 918 C GLY A 60 9.894 1.915 12.042 1.00 0.00 C ATOM 919 O GLY A 60 9.159 1.424 12.876 1.00 0.00 O ATOM 0 H GLY A 60 10.546 4.545 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.479 3.319 11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.945 2.036 12.711 1.00 0.00 H new ATOM 923 N THR A 61 9.657 1.779 10.767 1.00 0.00 N ATOM 924 CA THR A 61 8.463 1.008 10.313 1.00 0.00 C ATOM 925 C THR A 61 8.746 -0.493 10.402 1.00 0.00 C ATOM 926 O THR A 61 9.516 -1.037 9.636 1.00 0.00 O ATOM 927 CB THR A 61 8.248 1.432 8.858 1.00 0.00 C ATOM 928 OG1 THR A 61 7.242 0.618 8.274 1.00 0.00 O ATOM 929 CG2 THR A 61 9.555 1.272 8.079 1.00 0.00 C ATOM 0 H THR A 61 10.235 2.166 10.021 1.00 0.00 H new ATOM 0 HA THR A 61 7.583 1.203 10.926 1.00 0.00 H new ATOM 0 HB THR A 61 7.935 2.476 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.400 0.739 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.401 1.574 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.326 1.898 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.871 0.229 8.109 1.00 0.00 H new ATOM 937 N LYS A 62 8.132 -1.168 11.336 1.00 0.00 N ATOM 938 CA LYS A 62 8.368 -2.634 11.476 1.00 0.00 C ATOM 939 C LYS A 62 7.126 -3.414 11.037 1.00 0.00 C ATOM 940 O LYS A 62 6.028 -2.895 11.025 1.00 0.00 O ATOM 941 CB LYS A 62 8.638 -2.852 12.966 1.00 0.00 C ATOM 942 CG LYS A 62 9.766 -1.924 13.422 1.00 0.00 C ATOM 943 CD LYS A 62 11.093 -2.683 13.404 1.00 0.00 C ATOM 944 CE LYS A 62 12.186 -1.790 12.813 1.00 0.00 C ATOM 945 NZ LYS A 62 13.140 -2.731 12.163 1.00 0.00 N ATOM 0 H LYS A 62 7.477 -0.768 12.008 1.00 0.00 H new ATOM 0 HA LYS A 62 9.196 -2.979 10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.735 -2.654 13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.912 -3.891 13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.823 -1.055 12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.561 -1.552 14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.364 -2.986 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.995 -3.594 12.814 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.773 -1.085 12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.677 -1.202 13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.920 -2.193 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.522 -3.385 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.645 -3.272 11.425 1.00 0.00 H new ATOM 959 N ASN A 63 7.292 -4.658 10.678 1.00 0.00 N ATOM 960 CA ASN A 63 6.119 -5.469 10.239 1.00 0.00 C ATOM 961 C ASN A 63 5.828 -6.567 11.264 1.00 0.00 C ATOM 962 O ASN A 63 6.707 -7.022 11.962 1.00 0.00 O ATOM 963 CB ASN A 63 6.540 -6.079 8.901 1.00 0.00 C ATOM 964 CG ASN A 63 5.325 -6.707 8.213 1.00 0.00 C ATOM 965 OD1 ASN A 63 5.471 -7.575 7.374 1.00 0.00 O ATOM 966 ND2 ASN A 63 4.124 -6.307 8.531 1.00 0.00 N ATOM 0 H ASN A 63 8.187 -5.148 10.669 1.00 0.00 H new ATOM 0 HA ASN A 63 5.212 -4.872 10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.975 -5.311 8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.310 -6.834 9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.311 -6.722 8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.998 -5.579 9.234 1.00 0.00 H new ATOM 973 N LEU A 64 4.600 -6.995 11.366 1.00 0.00 N ATOM 974 CA LEU A 64 4.268 -8.062 12.354 1.00 0.00 C ATOM 975 C LEU A 64 3.298 -9.071 11.737 1.00 0.00 C ATOM 976 O LEU A 64 2.190 -8.735 11.374 1.00 0.00 O ATOM 977 CB LEU A 64 3.614 -7.322 13.521 1.00 0.00 C ATOM 978 CG LEU A 64 4.410 -6.051 13.831 1.00 0.00 C ATOM 979 CD1 LEU A 64 3.649 -5.200 14.847 1.00 0.00 C ATOM 980 CD2 LEU A 64 5.774 -6.431 14.412 1.00 0.00 C ATOM 0 H LEU A 64 3.815 -6.655 10.811 1.00 0.00 H new ATOM 0 HA LEU A 64 5.145 -8.626 12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.584 -7.067 13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.580 -7.966 14.400 1.00 0.00 H new ATOM 0 HG LEU A 64 4.548 -5.482 12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.219 -4.297 15.065 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.677 -4.926 14.437 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.507 -5.770 15.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.340 -5.526 14.633 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.632 -7.003 15.329 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.322 -7.035 13.689 1.00 0.00 H new ATOM 992 N ARG A 65 3.708 -10.306 11.615 1.00 0.00 N ATOM 993 CA ARG A 65 2.811 -11.338 11.017 1.00 0.00 C ATOM 994 C ARG A 65 1.827 -11.867 12.063 1.00 0.00 C ATOM 995 O ARG A 65 2.078 -11.816 13.250 1.00 0.00 O ATOM 996 CB ARG A 65 3.749 -12.455 10.555 1.00 0.00 C ATOM 997 CG ARG A 65 4.302 -13.195 11.774 1.00 0.00 C ATOM 998 CD ARG A 65 5.823 -13.311 11.656 1.00 0.00 C ATOM 999 NE ARG A 65 6.191 -14.460 12.531 1.00 0.00 N ATOM 1000 CZ ARG A 65 5.817 -15.669 12.212 1.00 0.00 C ATOM 1001 NH1 ARG A 65 5.123 -15.875 11.127 1.00 0.00 N ATOM 1002 NH2 ARG A 65 6.138 -16.674 12.981 1.00 0.00 N ATOM 0 H ARG A 65 4.626 -10.645 11.904 1.00 0.00 H new ATOM 0 HA ARG A 65 2.214 -10.936 10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.214 -13.149 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.567 -12.038 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.037 -12.662 12.687 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.856 -14.187 11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.127 -13.488 10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.315 -12.394 11.981 1.00 0.00 H new ATOM 0 HE ARG A 65 6.735 -14.301 13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.871 -15.090 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.832 -16.821 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.680 -16.514 13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.846 -17.619 12.733 1.00 0.00 H new ATOM 1016 N ILE A 66 0.705 -12.378 11.628 1.00 0.00 N ATOM 1017 CA ILE A 66 -0.296 -12.913 12.594 1.00 0.00 C ATOM 1018 C ILE A 66 0.148 -14.290 13.101 1.00 0.00 C ATOM 1019 O ILE A 66 0.672 -15.096 12.358 1.00 0.00 O ATOM 1020 CB ILE A 66 -1.600 -13.010 11.790 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -2.702 -12.247 12.527 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -2.017 -14.474 11.630 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -2.896 -12.851 13.919 1.00 0.00 C ATOM 0 H ILE A 66 0.440 -12.447 10.646 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.413 -12.282 13.475 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.443 -12.577 10.802 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.437 -11.193 12.610 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.634 -12.298 11.964 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.943 -14.528 11.058 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.234 -15.020 11.105 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.172 -14.918 12.613 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.681 -12.308 14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.180 -13.899 13.824 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.965 -12.777 14.481 1.00 0.00 H new ATOM 1035 N GLN A 67 -0.056 -14.563 14.360 1.00 0.00 N ATOM 1036 CA GLN A 67 0.356 -15.887 14.911 1.00 0.00 C ATOM 1037 C GLN A 67 -0.816 -16.870 14.860 1.00 0.00 C ATOM 1038 O GLN A 67 -1.921 -16.554 15.254 1.00 0.00 O ATOM 1039 CB GLN A 67 0.756 -15.603 16.360 1.00 0.00 C ATOM 1040 CG GLN A 67 2.254 -15.293 16.425 1.00 0.00 C ATOM 1041 CD GLN A 67 2.718 -15.323 17.882 1.00 0.00 C ATOM 1042 OE1 GLN A 67 3.201 -14.335 18.398 1.00 0.00 O ATOM 1043 NE2 GLN A 67 2.593 -16.424 18.571 1.00 0.00 N ATOM 0 H GLN A 67 -0.489 -13.929 15.031 1.00 0.00 H new ATOM 0 HA GLN A 67 1.170 -16.336 14.343 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.182 -14.761 16.748 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.524 -16.463 16.988 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.813 -16.023 15.839 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.453 -14.314 15.989 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.187 -17.254 18.138 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.901 -16.455 19.543 1.00 0.00 H new ATOM 1052 N CYS A 68 -0.583 -18.060 14.379 1.00 0.00 N ATOM 1053 CA CYS A 68 -1.685 -19.063 14.303 1.00 0.00 C ATOM 1054 C CYS A 68 -1.456 -20.176 15.330 1.00 0.00 C ATOM 1055 O CYS A 68 -0.466 -20.881 15.284 1.00 0.00 O ATOM 1056 CB CYS A 68 -1.618 -19.621 12.883 1.00 0.00 C ATOM 1057 SG CYS A 68 -3.081 -20.636 12.562 1.00 0.00 S ATOM 0 H CYS A 68 0.322 -18.382 14.035 1.00 0.00 H new ATOM 0 HA CYS A 68 -2.659 -18.624 14.521 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.564 -18.805 12.163 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.714 -20.217 12.758 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.031 -20.300 13.383 1.00 0.00 H new ATOM 1063 N GLU A 69 -2.361 -20.340 16.256 1.00 0.00 N ATOM 1064 CA GLU A 69 -2.189 -21.408 17.284 1.00 0.00 C ATOM 1065 C GLU A 69 -3.487 -22.205 17.450 1.00 0.00 C ATOM 1066 O GLU A 69 -4.436 -21.744 18.052 1.00 0.00 O ATOM 1067 CB GLU A 69 -1.850 -20.661 18.575 1.00 0.00 C ATOM 1068 CG GLU A 69 -0.707 -19.680 18.313 1.00 0.00 C ATOM 1069 CD GLU A 69 0.615 -20.445 18.226 1.00 0.00 C ATOM 1070 OE1 GLU A 69 1.206 -20.686 19.265 1.00 0.00 O ATOM 1071 OE2 GLU A 69 1.012 -20.779 17.122 1.00 0.00 O ATOM 0 H GLU A 69 -3.210 -19.783 16.346 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.414 -22.123 17.008 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.727 -20.125 18.938 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.564 -21.369 19.353 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.886 -19.136 17.385 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.659 -18.940 19.112 1.00 0.00 H new ATOM 1078 N GLY A 70 -3.532 -23.399 16.924 1.00 0.00 N ATOM 1079 CA GLY A 70 -4.766 -24.226 17.057 1.00 0.00 C ATOM 1080 C GLY A 70 -5.778 -23.824 15.982 1.00 0.00 C ATOM 1081 O GLY A 70 -6.971 -23.811 16.213 1.00 0.00 O ATOM 0 H GLY A 70 -2.769 -23.837 16.409 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.519 -25.283 16.959 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.201 -24.090 18.047 1.00 0.00 H new ATOM 1085 N GLY A 71 -5.313 -23.494 14.808 1.00 0.00 N ATOM 1086 CA GLY A 71 -6.252 -23.095 13.721 1.00 0.00 C ATOM 1087 C GLY A 71 -6.790 -21.689 13.996 1.00 0.00 C ATOM 1088 O GLY A 71 -7.574 -21.156 13.236 1.00 0.00 O ATOM 0 H GLY A 71 -4.325 -23.483 14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.741 -23.118 12.759 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.077 -23.805 13.660 1.00 0.00 H new ATOM 1092 N SER A 72 -6.374 -21.084 15.074 1.00 0.00 N ATOM 1093 CA SER A 72 -6.861 -19.712 15.394 1.00 0.00 C ATOM 1094 C SER A 72 -5.775 -18.684 15.072 1.00 0.00 C ATOM 1095 O SER A 72 -4.620 -19.019 14.906 1.00 0.00 O ATOM 1096 CB SER A 72 -7.156 -19.733 16.893 1.00 0.00 C ATOM 1097 OG SER A 72 -6.504 -20.850 17.483 1.00 0.00 O ATOM 0 H SER A 72 -5.718 -21.480 15.747 1.00 0.00 H new ATOM 0 HA SER A 72 -7.742 -19.438 14.813 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.811 -18.809 17.357 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.231 -19.793 17.063 1.00 0.00 H new ATOM 0 HG SER A 72 -5.537 -20.693 17.500 1.00 0.00 H new ATOM 1103 N PHE A 73 -6.136 -17.435 14.974 1.00 0.00 N ATOM 1104 CA PHE A 73 -5.122 -16.389 14.653 1.00 0.00 C ATOM 1105 C PHE A 73 -4.884 -15.483 15.866 1.00 0.00 C ATOM 1106 O PHE A 73 -5.774 -15.237 16.655 1.00 0.00 O ATOM 1107 CB PHE A 73 -5.737 -15.592 13.503 1.00 0.00 C ATOM 1108 CG PHE A 73 -5.244 -16.122 12.173 1.00 0.00 C ATOM 1109 CD1 PHE A 73 -4.483 -17.298 12.110 1.00 0.00 C ATOM 1110 CD2 PHE A 73 -5.548 -15.426 10.998 1.00 0.00 C ATOM 1111 CE1 PHE A 73 -4.031 -17.774 10.874 1.00 0.00 C ATOM 1112 CE2 PHE A 73 -5.095 -15.901 9.763 1.00 0.00 C ATOM 1113 CZ PHE A 73 -4.335 -17.075 9.700 1.00 0.00 C ATOM 0 H PHE A 73 -7.088 -17.092 15.102 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.156 -16.818 14.388 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.824 -15.657 13.547 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.476 -14.538 13.601 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.246 -17.837 13.016 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.134 -14.520 11.045 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.447 -18.681 10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.332 -15.362 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.984 -17.441 8.747 1.00 0.00 H new ATOM 1123 N SER A 74 -3.686 -14.984 16.014 1.00 0.00 N ATOM 1124 CA SER A 74 -3.385 -14.092 17.171 1.00 0.00 C ATOM 1125 C SER A 74 -2.396 -13.000 16.750 1.00 0.00 C ATOM 1126 O SER A 74 -1.448 -13.253 16.035 1.00 0.00 O ATOM 1127 CB SER A 74 -2.758 -15.007 18.223 1.00 0.00 C ATOM 1128 OG SER A 74 -3.777 -15.789 18.833 1.00 0.00 O ATOM 0 H SER A 74 -2.903 -15.156 15.384 1.00 0.00 H new ATOM 0 HA SER A 74 -4.275 -13.588 17.548 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.014 -15.655 17.761 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.240 -14.413 18.976 1.00 0.00 H new ATOM 0 HG SER A 74 -3.378 -16.378 19.507 1.00 0.00 H new ATOM 1134 N LEU A 75 -2.609 -11.789 17.191 1.00 0.00 N ATOM 1135 CA LEU A 75 -1.679 -10.684 16.817 1.00 0.00 C ATOM 1136 C LEU A 75 -0.967 -10.156 18.065 1.00 0.00 C ATOM 1137 O LEU A 75 -0.115 -9.293 17.989 1.00 0.00 O ATOM 1138 CB LEU A 75 -2.570 -9.601 16.205 1.00 0.00 C ATOM 1139 CG LEU A 75 -1.698 -8.506 15.586 1.00 0.00 C ATOM 1140 CD1 LEU A 75 -1.288 -8.916 14.170 1.00 0.00 C ATOM 1141 CD2 LEU A 75 -2.490 -7.197 15.525 1.00 0.00 C ATOM 0 H LEU A 75 -3.386 -11.517 17.793 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.906 -11.010 16.121 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.218 -10.036 15.445 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.218 -9.174 16.970 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.806 -8.366 16.197 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.667 -8.135 13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.725 -9.848 14.210 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.180 -9.057 13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.870 -6.417 15.084 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.382 -7.339 14.915 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.783 -6.902 16.532 1.00 0.00 H new ATOM 1384 N VAL A 91 -6.842 -11.355 12.091 1.00 0.00 N ATOM 1385 CA VAL A 91 -6.576 -10.744 10.755 1.00 0.00 C ATOM 1386 C VAL A 91 -7.692 -9.753 10.409 1.00 0.00 C ATOM 1387 O VAL A 91 -7.437 -8.613 10.075 1.00 0.00 O ATOM 1388 CB VAL A 91 -6.551 -11.911 9.768 1.00 0.00 C ATOM 1389 CG1 VAL A 91 -5.260 -12.707 9.964 1.00 0.00 C ATOM 1390 CG2 VAL A 91 -7.758 -12.824 10.007 1.00 0.00 C ATOM 0 HA VAL A 91 -5.638 -10.190 10.730 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.595 -11.524 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.237 -13.541 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.402 -12.059 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.220 -13.090 10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.733 -13.653 9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.724 -13.214 11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.677 -12.256 9.867 1.00 0.00 H new ATOM 1400 N LEU A 92 -8.927 -10.168 10.508 1.00 0.00 N ATOM 1401 CA LEU A 92 -10.046 -9.230 10.207 1.00 0.00 C ATOM 1402 C LEU A 92 -10.013 -8.082 11.217 1.00 0.00 C ATOM 1403 O LEU A 92 -10.106 -6.924 10.868 1.00 0.00 O ATOM 1404 CB LEU A 92 -11.321 -10.058 10.369 1.00 0.00 C ATOM 1405 CG LEU A 92 -11.199 -11.356 9.568 1.00 0.00 C ATOM 1406 CD1 LEU A 92 -12.577 -12.006 9.432 1.00 0.00 C ATOM 1407 CD2 LEU A 92 -10.645 -11.045 8.175 1.00 0.00 C ATOM 0 H LEU A 92 -9.208 -11.109 10.782 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.982 -8.797 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.488 -10.284 11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.183 -9.487 10.025 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.525 -12.038 10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.489 -12.930 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.974 -12.228 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.252 -11.324 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.558 -11.969 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.320 -10.362 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.663 -10.582 8.269 1.00 0.00 H new ATOM 1419 N LYS A 93 -9.857 -8.409 12.470 1.00 0.00 N ATOM 1420 CA LYS A 93 -9.785 -7.357 13.526 1.00 0.00 C ATOM 1421 C LYS A 93 -8.531 -6.506 13.316 1.00 0.00 C ATOM 1422 O LYS A 93 -8.484 -5.344 13.669 1.00 0.00 O ATOM 1423 CB LYS A 93 -9.703 -8.122 14.848 1.00 0.00 C ATOM 1424 CG LYS A 93 -9.574 -7.128 16.003 1.00 0.00 C ATOM 1425 CD LYS A 93 -9.363 -7.891 17.312 1.00 0.00 C ATOM 1426 CE LYS A 93 -7.890 -8.286 17.443 1.00 0.00 C ATOM 1427 NZ LYS A 93 -7.814 -9.080 18.700 1.00 0.00 N ATOM 0 H LYS A 93 -9.776 -9.367 12.811 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.642 -6.683 13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.593 -8.737 14.981 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.847 -8.797 14.838 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.737 -6.453 15.824 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.471 -6.513 16.069 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.661 -7.272 18.158 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.992 -8.781 17.332 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.561 -8.873 16.585 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.248 -7.406 17.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.833 -9.387 18.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.127 -8.494 19.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.429 -9.915 18.621 1.00 0.00 H new ATOM 1441 N LEU A 94 -7.507 -7.094 12.758 1.00 0.00 N ATOM 1442 CA LEU A 94 -6.233 -6.352 12.533 1.00 0.00 C ATOM 1443 C LEU A 94 -6.475 -5.107 11.677 1.00 0.00 C ATOM 1444 O LEU A 94 -5.836 -4.091 11.862 1.00 0.00 O ATOM 1445 CB LEU A 94 -5.331 -7.340 11.796 1.00 0.00 C ATOM 1446 CG LEU A 94 -4.075 -7.602 12.626 1.00 0.00 C ATOM 1447 CD1 LEU A 94 -3.338 -8.820 12.067 1.00 0.00 C ATOM 1448 CD2 LEU A 94 -3.161 -6.377 12.560 1.00 0.00 C ATOM 0 H LEU A 94 -7.499 -8.065 12.446 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.791 -6.005 13.467 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.865 -8.274 11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.057 -6.940 10.820 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.355 -7.793 13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.442 -9.007 12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.990 -9.692 12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.055 -8.631 11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.264 -6.560 13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.881 -6.188 11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.687 -5.509 12.958 1.00 0.00 H new ATOM 1460 N VAL A 95 -7.385 -5.166 10.745 1.00 0.00 N ATOM 1461 CA VAL A 95 -7.636 -3.962 9.904 1.00 0.00 C ATOM 1462 C VAL A 95 -7.932 -2.773 10.820 1.00 0.00 C ATOM 1463 O VAL A 95 -7.472 -1.671 10.596 1.00 0.00 O ATOM 1464 CB VAL A 95 -8.860 -4.305 9.052 1.00 0.00 C ATOM 1465 CG1 VAL A 95 -8.691 -5.701 8.451 1.00 0.00 C ATOM 1466 CG2 VAL A 95 -10.116 -4.273 9.925 1.00 0.00 C ATOM 0 H VAL A 95 -7.958 -5.982 10.531 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.784 -3.699 9.277 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.958 -3.575 8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.563 -5.944 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.798 -5.723 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.591 -6.433 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -10.988 -4.517 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -10.019 -5.002 10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.238 -3.277 10.351 1.00 0.00 H new ATOM 1476 N HIS A 96 -8.673 -3.000 11.869 1.00 0.00 N ATOM 1477 CA HIS A 96 -8.975 -1.897 12.823 1.00 0.00 C ATOM 1478 C HIS A 96 -7.690 -1.506 13.560 1.00 0.00 C ATOM 1479 O HIS A 96 -7.504 -0.371 13.953 1.00 0.00 O ATOM 1480 CB HIS A 96 -10.004 -2.487 13.791 1.00 0.00 C ATOM 1481 CG HIS A 96 -9.998 -1.712 15.082 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -11.136 -1.093 15.577 1.00 0.00 N ATOM 1483 CD2 HIS A 96 -9.005 -1.455 15.996 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -10.803 -0.501 16.738 1.00 0.00 C ATOM 1485 NE2 HIS A 96 -9.516 -0.691 17.040 1.00 0.00 N ATOM 0 H HIS A 96 -9.083 -3.903 12.107 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.356 -0.999 12.336 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.997 -2.456 13.343 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.775 -3.535 13.985 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.983 -1.795 15.916 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.493 0.060 17.351 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.015 -0.349 17.860 1.00 0.00 H new ATOM 1493 N HIS A 97 -6.803 -2.447 13.744 1.00 0.00 N ATOM 1494 CA HIS A 97 -5.524 -2.151 14.451 1.00 0.00 C ATOM 1495 C HIS A 97 -4.779 -1.017 13.746 1.00 0.00 C ATOM 1496 O HIS A 97 -4.181 -0.168 14.376 1.00 0.00 O ATOM 1497 CB HIS A 97 -4.718 -3.449 14.361 1.00 0.00 C ATOM 1498 CG HIS A 97 -4.223 -3.837 15.727 1.00 0.00 C ATOM 1499 ND1 HIS A 97 -5.077 -3.982 16.808 1.00 0.00 N ATOM 1500 CD2 HIS A 97 -2.964 -4.120 16.202 1.00 0.00 C ATOM 1501 CE1 HIS A 97 -4.330 -4.338 17.870 1.00 0.00 C ATOM 1502 NE2 HIS A 97 -3.036 -4.436 17.555 1.00 0.00 N ATOM 0 H HIS A 97 -6.910 -3.413 13.433 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.686 -1.835 15.482 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.338 -4.245 13.949 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.875 -3.318 13.682 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -6.088 -3.844 16.801 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.058 -4.100 15.615 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.729 -4.522 18.857 1.00 0.00 H new ATOM 1510 N TYR A 98 -4.806 -1.000 12.441 1.00 0.00 N ATOM 1511 CA TYR A 98 -4.093 0.075 11.695 1.00 0.00 C ATOM 1512 C TYR A 98 -4.851 1.401 11.805 1.00 0.00 C ATOM 1513 O TYR A 98 -4.432 2.409 11.272 1.00 0.00 O ATOM 1514 CB TYR A 98 -4.070 -0.397 10.242 1.00 0.00 C ATOM 1515 CG TYR A 98 -3.528 -1.801 10.170 1.00 0.00 C ATOM 1516 CD1 TYR A 98 -2.226 -2.070 10.609 1.00 0.00 C ATOM 1517 CD2 TYR A 98 -4.326 -2.834 9.664 1.00 0.00 C ATOM 1518 CE1 TYR A 98 -1.723 -3.371 10.543 1.00 0.00 C ATOM 1519 CE2 TYR A 98 -3.823 -4.138 9.597 1.00 0.00 C ATOM 1520 CZ TYR A 98 -2.524 -4.407 10.035 1.00 0.00 C ATOM 1521 OH TYR A 98 -2.033 -5.695 9.972 1.00 0.00 O ATOM 0 H TYR A 98 -5.291 -1.684 11.860 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.092 0.247 12.090 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -5.076 -0.364 9.823 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.453 0.272 9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.611 -1.272 10.998 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.330 -2.624 9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.719 -3.580 10.882 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.438 -4.935 9.207 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.778 -6.325 9.876 1.00 0.00 H new ATOM 1531 N MET A 99 -5.964 1.413 12.486 1.00 0.00 N ATOM 1532 CA MET A 99 -6.738 2.682 12.618 1.00 0.00 C ATOM 1533 C MET A 99 -8.018 2.447 13.424 1.00 0.00 C ATOM 1534 O MET A 99 -8.934 1.796 12.962 1.00 0.00 O ATOM 1535 CB MET A 99 -7.080 3.087 11.183 1.00 0.00 C ATOM 1536 CG MET A 99 -7.093 4.614 11.074 1.00 0.00 C ATOM 1537 SD MET A 99 -8.684 5.157 10.404 1.00 0.00 S ATOM 1538 CE MET A 99 -8.786 3.952 9.057 1.00 0.00 C ATOM 0 H MET A 99 -6.370 0.604 12.955 1.00 0.00 H new ATOM 0 HA MET A 99 -6.173 3.454 13.140 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.349 2.668 10.491 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.053 2.683 10.902 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.928 5.061 12.054 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.281 4.950 10.429 1.00 0.00 H new ATOM 0 HE1 MET A 99 -9.361 4.375 8.233 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.782 3.707 8.711 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.277 3.047 9.415 1.00 0.00 H new ATOM 2022 N ARG A 134 -8.101 0.443 21.274 1.00 0.00 N ATOM 2023 CA ARG A 134 -7.208 1.431 20.603 1.00 0.00 C ATOM 2024 C ARG A 134 -5.853 1.489 21.315 1.00 0.00 C ATOM 2025 O ARG A 134 -5.713 2.106 22.352 1.00 0.00 O ATOM 2026 CB ARG A 134 -7.936 2.770 20.725 1.00 0.00 C ATOM 2027 CG ARG A 134 -6.996 3.903 20.307 1.00 0.00 C ATOM 2028 CD ARG A 134 -7.565 5.241 20.787 1.00 0.00 C ATOM 2029 NE ARG A 134 -6.420 5.931 21.443 1.00 0.00 N ATOM 2030 CZ ARG A 134 -6.475 7.215 21.672 1.00 0.00 C ATOM 2031 NH1 ARG A 134 -7.533 7.897 21.326 1.00 0.00 N ATOM 2032 NH2 ARG A 134 -5.471 7.818 22.248 1.00 0.00 N ATOM 0 HA ARG A 134 -7.009 1.169 19.564 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.826 2.771 20.095 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.271 2.921 21.751 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.005 3.743 20.732 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.880 3.913 19.223 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.954 5.826 19.954 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -8.389 5.092 21.485 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.592 5.400 21.714 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.318 7.427 20.876 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -7.574 8.900 21.506 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -4.644 7.286 22.519 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.513 8.821 22.427 1.00 0.00 H new ATOM 2046 N ALA A 135 -4.855 0.855 20.762 1.00 0.00 N ATOM 2047 CA ALA A 135 -3.506 0.875 21.399 1.00 0.00 C ATOM 2048 C ALA A 135 -2.624 -0.211 20.788 1.00 0.00 C ATOM 2049 O ALA A 135 -2.271 -1.173 21.441 1.00 0.00 O ATOM 2050 CB ALA A 135 -3.744 0.584 22.883 1.00 0.00 C ATOM 0 H ALA A 135 -4.915 0.322 19.894 1.00 0.00 H new ATOM 0 HA ALA A 135 -3.003 1.830 21.250 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -2.791 0.584 23.411 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -4.393 1.352 23.305 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -4.219 -0.391 22.991 1.00 0.00 H new ATOM 2056 N TYR A 136 -2.255 -0.069 19.546 1.00 0.00 N ATOM 2057 CA TYR A 136 -1.385 -1.100 18.917 1.00 0.00 C ATOM 2058 C TYR A 136 0.053 -0.571 18.858 1.00 0.00 C ATOM 2059 O TYR A 136 0.315 0.498 18.347 1.00 0.00 O ATOM 2060 CB TYR A 136 -1.994 -1.331 17.519 1.00 0.00 C ATOM 2061 CG TYR A 136 -1.155 -0.676 16.445 1.00 0.00 C ATOM 2062 CD1 TYR A 136 -0.916 0.701 16.490 1.00 0.00 C ATOM 2063 CD2 TYR A 136 -0.617 -1.448 15.401 1.00 0.00 C ATOM 2064 CE1 TYR A 136 -0.138 1.307 15.500 1.00 0.00 C ATOM 2065 CE2 TYR A 136 0.163 -0.837 14.411 1.00 0.00 C ATOM 2066 CZ TYR A 136 0.400 0.538 14.465 1.00 0.00 C ATOM 2067 OH TYR A 136 1.172 1.129 13.497 1.00 0.00 O ATOM 0 H TYR A 136 -2.516 0.711 18.943 1.00 0.00 H new ATOM 0 HA TYR A 136 -1.341 -2.039 19.469 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -2.069 -2.401 17.324 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -3.007 -0.929 17.489 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -1.332 1.296 17.289 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -0.805 -2.511 15.362 1.00 0.00 H new ATOM 0 HE1 TYR A 136 0.048 2.370 15.535 1.00 0.00 H new ATOM 0 HE2 TYR A 136 0.580 -1.427 13.608 1.00 0.00 H new ATOM 0 HH TYR A 136 1.385 2.048 13.764 1.00 0.00 H new ATOM 2077 N TYR A 137 0.988 -1.298 19.401 1.00 0.00 N ATOM 2078 CA TYR A 137 2.395 -0.816 19.384 1.00 0.00 C ATOM 2079 C TYR A 137 3.376 -1.983 19.504 1.00 0.00 C ATOM 2080 O TYR A 137 3.001 -3.091 19.823 1.00 0.00 O ATOM 2081 CB TYR A 137 2.502 0.160 20.555 1.00 0.00 C ATOM 2082 CG TYR A 137 2.602 -0.556 21.878 1.00 0.00 C ATOM 2083 CD1 TYR A 137 3.806 -1.152 22.277 1.00 0.00 C ATOM 2084 CD2 TYR A 137 1.488 -0.595 22.723 1.00 0.00 C ATOM 2085 CE1 TYR A 137 3.889 -1.790 23.518 1.00 0.00 C ATOM 2086 CE2 TYR A 137 1.569 -1.230 23.964 1.00 0.00 C ATOM 2087 CZ TYR A 137 2.771 -1.830 24.363 1.00 0.00 C ATOM 2088 OH TYR A 137 2.855 -2.455 25.591 1.00 0.00 O ATOM 0 H TYR A 137 0.840 -2.200 19.853 1.00 0.00 H new ATOM 0 HA TYR A 137 2.652 -0.324 18.446 1.00 0.00 H new ATOM 0 HB2 TYR A 137 3.377 0.795 20.419 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.631 0.815 20.562 1.00 0.00 H new ATOM 0 HD1 TYR A 137 4.668 -1.118 21.627 1.00 0.00 H new ATOM 0 HD2 TYR A 137 0.562 -0.132 22.415 1.00 0.00 H new ATOM 0 HE1 TYR A 137 4.815 -2.252 23.826 1.00 0.00 H new ATOM 0 HE2 TYR A 137 0.708 -1.259 24.615 1.00 0.00 H new ATOM 0 HH TYR A 137 3.146 -3.383 25.467 1.00 0.00 H new ATOM 2098 N ILE A 138 4.628 -1.740 19.230 1.00 0.00 N ATOM 2099 CA ILE A 138 5.634 -2.837 19.292 1.00 0.00 C ATOM 2100 C ILE A 138 6.466 -2.758 20.571 1.00 0.00 C ATOM 2101 O ILE A 138 6.700 -1.698 21.118 1.00 0.00 O ATOM 2102 CB ILE A 138 6.523 -2.623 18.068 1.00 0.00 C ATOM 2103 CG1 ILE A 138 5.652 -2.565 16.810 1.00 0.00 C ATOM 2104 CG2 ILE A 138 7.513 -3.783 17.945 1.00 0.00 C ATOM 2105 CD1 ILE A 138 6.174 -1.470 15.879 1.00 0.00 C ATOM 0 H ILE A 138 4.998 -0.827 18.965 1.00 0.00 H new ATOM 0 HA ILE A 138 5.158 -3.817 19.298 1.00 0.00 H new ATOM 0 HB ILE A 138 7.071 -1.687 18.178 1.00 0.00 H new ATOM 0 HG12 ILE A 138 5.666 -3.528 16.300 1.00 0.00 H new ATOM 0 HG13 ILE A 138 4.616 -2.363 17.081 1.00 0.00 H new ATOM 0 HG21 ILE A 138 8.147 -3.629 17.072 1.00 0.00 H new ATOM 0 HG22 ILE A 138 8.133 -3.828 18.840 1.00 0.00 H new ATOM 0 HG23 ILE A 138 6.965 -4.719 17.836 1.00 0.00 H new ATOM 0 HD11 ILE A 138 5.554 -1.428 14.983 1.00 0.00 H new ATOM 0 HD12 ILE A 138 6.137 -0.509 16.391 1.00 0.00 H new ATOM 0 HD13 ILE A 138 7.204 -1.692 15.598 1.00 0.00 H new ATOM 2117 N TYR A 139 6.903 -3.887 21.048 1.00 0.00 N ATOM 2118 CA TYR A 139 7.717 -3.920 22.297 1.00 0.00 C ATOM 2119 C TYR A 139 9.207 -3.991 21.976 1.00 0.00 C ATOM 2120 O TYR A 139 9.644 -4.763 21.146 1.00 0.00 O ATOM 2121 CB TYR A 139 7.264 -5.177 23.023 1.00 0.00 C ATOM 2122 CG TYR A 139 5.844 -4.976 23.465 1.00 0.00 C ATOM 2123 CD1 TYR A 139 4.825 -4.913 22.511 1.00 0.00 C ATOM 2124 CD2 TYR A 139 5.549 -4.842 24.821 1.00 0.00 C ATOM 2125 CE1 TYR A 139 3.502 -4.717 22.915 1.00 0.00 C ATOM 2126 CE2 TYR A 139 4.226 -4.648 25.231 1.00 0.00 C ATOM 2127 CZ TYR A 139 3.200 -4.586 24.277 1.00 0.00 C ATOM 2128 OH TYR A 139 1.896 -4.393 24.681 1.00 0.00 O ATOM 0 H TYR A 139 6.731 -4.798 20.624 1.00 0.00 H new ATOM 0 HA TYR A 139 7.577 -3.022 22.899 1.00 0.00 H new ATOM 0 HB2 TYR A 139 7.339 -6.043 22.366 1.00 0.00 H new ATOM 0 HB3 TYR A 139 7.906 -5.372 23.882 1.00 0.00 H new ATOM 0 HD1 TYR A 139 5.060 -5.016 21.462 1.00 0.00 H new ATOM 0 HD2 TYR A 139 6.341 -4.888 25.554 1.00 0.00 H new ATOM 0 HE1 TYR A 139 2.713 -4.667 22.179 1.00 0.00 H new ATOM 0 HE2 TYR A 139 3.995 -4.546 26.281 1.00 0.00 H new ATOM 0 HH TYR A 139 1.769 -3.456 24.939 1.00 0.00 H new ATOM 2138 N SER A 140 9.987 -3.181 22.630 1.00 0.00 N ATOM 2139 CA SER A 140 11.456 -3.185 22.370 1.00 0.00 C ATOM 2140 C SER A 140 12.228 -3.495 23.656 1.00 0.00 C ATOM 2141 O SER A 140 12.146 -2.776 24.630 1.00 0.00 O ATOM 2142 CB SER A 140 11.774 -1.773 21.881 1.00 0.00 C ATOM 2143 OG SER A 140 12.414 -1.047 22.922 1.00 0.00 O ATOM 0 H SER A 140 9.673 -2.514 23.335 1.00 0.00 H new ATOM 0 HA SER A 140 11.742 -3.945 21.642 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.419 -1.817 21.003 1.00 0.00 H new ATOM 0 HB3 SER A 140 10.858 -1.266 21.579 1.00 0.00 H new ATOM 0 HG SER A 140 12.762 -0.203 22.566 1.00 0.00 H new ATOM 2149 N GLY A 141 12.983 -4.559 23.662 1.00 0.00 N ATOM 2150 CA GLY A 141 13.766 -4.915 24.880 1.00 0.00 C ATOM 2151 C GLY A 141 12.906 -4.717 26.129 1.00 0.00 C ATOM 2152 O GLY A 141 13.206 -3.900 26.979 1.00 0.00 O ATOM 0 H GLY A 141 13.092 -5.199 22.875 1.00 0.00 H new ATOM 0 HA2 GLY A 141 14.100 -5.951 24.818 1.00 0.00 H new ATOM 0 HA3 GLY A 141 14.660 -4.295 24.942 1.00 0.00 H new ATOM 2156 N GLY A 142 11.841 -5.460 26.253 1.00 0.00 N ATOM 2157 CA GLY A 142 10.967 -5.318 27.452 1.00 0.00 C ATOM 2158 C GLY A 142 10.437 -3.885 27.544 1.00 0.00 C ATOM 2159 O GLY A 142 9.908 -3.474 28.558 1.00 0.00 O ATOM 0 H GLY A 142 11.538 -6.160 25.576 1.00 0.00 H new ATOM 0 HA2 GLY A 142 10.135 -6.019 27.391 1.00 0.00 H new ATOM 0 HA3 GLY A 142 11.528 -5.566 28.353 1.00 0.00 H new ATOM 2163 N GLU A 143 10.566 -3.122 26.494 1.00 0.00 N ATOM 2164 CA GLU A 143 10.061 -1.721 26.527 1.00 0.00 C ATOM 2165 C GLU A 143 8.836 -1.588 25.622 1.00 0.00 C ATOM 2166 O GLU A 143 8.892 -1.861 24.439 1.00 0.00 O ATOM 2167 CB GLU A 143 11.215 -0.865 26.001 1.00 0.00 C ATOM 2168 CG GLU A 143 11.157 0.521 26.645 1.00 0.00 C ATOM 2169 CD GLU A 143 11.178 0.379 28.168 1.00 0.00 C ATOM 2170 OE1 GLU A 143 12.026 -0.346 28.664 1.00 0.00 O ATOM 2171 OE2 GLU A 143 10.346 0.995 28.813 1.00 0.00 O ATOM 0 H GLU A 143 10.999 -3.408 25.616 1.00 0.00 H new ATOM 0 HA GLU A 143 9.756 -1.414 27.527 1.00 0.00 H new ATOM 0 HB2 GLU A 143 12.168 -1.343 26.227 1.00 0.00 H new ATOM 0 HB3 GLU A 143 11.151 -0.777 24.916 1.00 0.00 H new ATOM 0 HG2 GLU A 143 12.003 1.123 26.314 1.00 0.00 H new ATOM 0 HG3 GLU A 143 10.253 1.042 26.330 1.00 0.00 H new ATOM 2178 N LYS A 144 7.729 -1.175 26.171 1.00 0.00 N ATOM 2179 CA LYS A 144 6.496 -1.029 25.345 1.00 0.00 C ATOM 2180 C LYS A 144 6.537 0.272 24.545 1.00 0.00 C ATOM 2181 O LYS A 144 6.340 1.348 25.072 1.00 0.00 O ATOM 2182 CB LYS A 144 5.347 -1.003 26.353 1.00 0.00 C ATOM 2183 CG LYS A 144 5.447 -2.220 27.274 1.00 0.00 C ATOM 2184 CD LYS A 144 5.130 -1.801 28.711 1.00 0.00 C ATOM 2185 CE LYS A 144 5.556 -2.913 29.672 1.00 0.00 C ATOM 2186 NZ LYS A 144 5.711 -2.241 30.992 1.00 0.00 N ATOM 0 H LYS A 144 7.623 -0.932 27.156 1.00 0.00 H new ATOM 0 HA LYS A 144 6.389 -1.837 24.622 1.00 0.00 H new ATOM 0 HB2 LYS A 144 5.385 -0.085 26.940 1.00 0.00 H new ATOM 0 HB3 LYS A 144 4.391 -1.007 25.830 1.00 0.00 H new ATOM 0 HG2 LYS A 144 4.752 -2.994 26.948 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.448 -2.648 27.221 1.00 0.00 H new ATOM 0 HD2 LYS A 144 5.652 -0.875 28.955 1.00 0.00 H new ATOM 0 HD3 LYS A 144 4.063 -1.603 28.817 1.00 0.00 H new ATOM 0 HE2 LYS A 144 4.808 -3.704 29.717 1.00 0.00 H new ATOM 0 HE3 LYS A 144 6.490 -3.375 29.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 6.002 -2.940 31.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 6.434 -1.497 30.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 4.805 -1.816 31.274 1.00 0.00 H new ATOM 2200 N ILE A 145 6.775 0.173 23.269 1.00 0.00 N ATOM 2201 CA ILE A 145 6.813 1.390 22.414 1.00 0.00 C ATOM 2202 C ILE A 145 5.453 1.555 21.734 1.00 0.00 C ATOM 2203 O ILE A 145 5.097 0.774 20.880 1.00 0.00 O ATOM 2204 CB ILE A 145 7.911 1.107 21.388 1.00 0.00 C ATOM 2205 CG1 ILE A 145 9.262 1.539 21.960 1.00 0.00 C ATOM 2206 CG2 ILE A 145 7.631 1.882 20.103 1.00 0.00 C ATOM 2207 CD1 ILE A 145 9.823 0.418 22.836 1.00 0.00 C ATOM 0 H ILE A 145 6.946 -0.705 22.778 1.00 0.00 H new ATOM 0 HA ILE A 145 7.014 2.307 22.968 1.00 0.00 H new ATOM 0 HB ILE A 145 7.931 0.040 21.166 1.00 0.00 H new ATOM 0 HG12 ILE A 145 9.956 1.766 21.151 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.147 2.451 22.546 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.416 1.677 19.376 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.669 1.574 19.695 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.608 2.950 20.320 1.00 0.00 H new ATOM 0 HD11 ILE A 145 10.786 0.723 23.245 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.131 0.213 23.652 1.00 0.00 H new ATOM 0 HD13 ILE A 145 9.953 -0.483 22.236 1.00 0.00 H new ATOM 2219 N PRO A 146 4.730 2.556 22.159 1.00 0.00 N ATOM 2220 CA PRO A 146 3.374 2.809 21.605 1.00 0.00 C ATOM 2221 C PRO A 146 3.435 3.342 20.170 1.00 0.00 C ATOM 2222 O PRO A 146 4.130 4.293 19.875 1.00 0.00 O ATOM 2223 CB PRO A 146 2.796 3.860 22.548 1.00 0.00 C ATOM 2224 CG PRO A 146 3.985 4.549 23.137 1.00 0.00 C ATOM 2225 CD PRO A 146 5.100 3.538 23.185 1.00 0.00 C ATOM 0 HA PRO A 146 2.773 1.901 21.548 1.00 0.00 H new ATOM 0 HB2 PRO A 146 2.158 4.563 22.012 1.00 0.00 H new ATOM 0 HB3 PRO A 146 2.183 3.400 23.323 1.00 0.00 H new ATOM 0 HG2 PRO A 146 4.271 5.410 22.532 1.00 0.00 H new ATOM 0 HG3 PRO A 146 3.759 4.922 24.136 1.00 0.00 H new ATOM 0 HD2 PRO A 146 6.065 3.997 22.969 1.00 0.00 H new ATOM 0 HD3 PRO A 146 5.179 3.077 24.169 1.00 0.00 H new ATOM 2233 N LEU A 147 2.691 2.737 19.280 1.00 0.00 N ATOM 2234 CA LEU A 147 2.673 3.204 17.864 1.00 0.00 C ATOM 2235 C LEU A 147 1.242 3.515 17.439 1.00 0.00 C ATOM 2236 O LEU A 147 0.330 2.757 17.702 1.00 0.00 O ATOM 2237 CB LEU A 147 3.232 2.050 17.042 1.00 0.00 C ATOM 2238 CG LEU A 147 4.751 2.055 17.148 1.00 0.00 C ATOM 2239 CD1 LEU A 147 5.167 1.286 18.399 1.00 0.00 C ATOM 2240 CD2 LEU A 147 5.344 1.389 15.907 1.00 0.00 C ATOM 0 H LEU A 147 2.092 1.935 19.476 1.00 0.00 H new ATOM 0 HA LEU A 147 3.259 4.113 17.726 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.833 1.102 17.403 1.00 0.00 H new ATOM 0 HB3 LEU A 147 2.927 2.148 16.000 1.00 0.00 H new ATOM 0 HG LEU A 147 5.117 3.079 17.215 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.254 1.286 18.481 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.737 1.763 19.279 1.00 0.00 H new ATOM 0 HD13 LEU A 147 4.808 0.259 18.331 1.00 0.00 H new ATOM 0 HD21 LEU A 147 6.432 1.390 15.978 1.00 0.00 H new ATOM 0 HD22 LEU A 147 4.986 0.362 15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 147 5.038 1.939 15.017 1.00 0.00 H new ATOM 2252 N VAL A 148 1.034 4.616 16.785 1.00 0.00 N ATOM 2253 CA VAL A 148 -0.347 4.960 16.349 1.00 0.00 C ATOM 2254 C VAL A 148 -0.394 5.185 14.837 1.00 0.00 C ATOM 2255 O VAL A 148 0.247 6.075 14.312 1.00 0.00 O ATOM 2256 CB VAL A 148 -0.686 6.251 17.093 1.00 0.00 C ATOM 2257 CG1 VAL A 148 -0.945 5.939 18.568 1.00 0.00 C ATOM 2258 CG2 VAL A 148 0.488 7.227 16.979 1.00 0.00 C ATOM 0 H VAL A 148 1.754 5.292 16.532 1.00 0.00 H new ATOM 0 HA VAL A 148 -1.056 4.161 16.568 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.578 6.699 16.654 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -1.187 6.860 19.098 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.780 5.243 18.652 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -0.054 5.491 19.007 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.248 8.149 17.509 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.379 6.777 17.418 1.00 0.00 H new ATOM 0 HG23 VAL A 148 0.674 7.451 15.929 1.00 0.00 H new ATOM 2268 N LEU A 149 -1.154 4.391 14.132 1.00 0.00 N ATOM 2269 CA LEU A 149 -1.242 4.572 12.653 1.00 0.00 C ATOM 2270 C LEU A 149 -2.127 5.779 12.328 1.00 0.00 C ATOM 2271 O LEU A 149 -2.938 6.198 13.129 1.00 0.00 O ATOM 2272 CB LEU A 149 -1.889 3.289 12.133 1.00 0.00 C ATOM 2273 CG LEU A 149 -1.277 2.085 12.844 1.00 0.00 C ATOM 2274 CD1 LEU A 149 -2.308 1.476 13.797 1.00 0.00 C ATOM 2275 CD2 LEU A 149 -0.859 1.040 11.807 1.00 0.00 C ATOM 0 H LEU A 149 -1.715 3.629 14.513 1.00 0.00 H new ATOM 0 HA LEU A 149 -0.267 4.751 12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.965 3.317 12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.739 3.204 11.057 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.403 2.403 13.412 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.871 0.616 14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.606 2.221 14.535 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -3.183 1.157 13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -0.422 0.180 12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -1.733 0.721 11.239 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.124 1.474 11.129 1.00 0.00 H new ATOM 2287 N SER A 150 -1.971 6.351 11.163 1.00 0.00 N ATOM 2288 CA SER A 150 -2.801 7.537 10.804 1.00 0.00 C ATOM 2289 C SER A 150 -3.578 7.291 9.506 1.00 0.00 C ATOM 2290 O SER A 150 -4.776 7.092 9.518 1.00 0.00 O ATOM 2291 CB SER A 150 -1.799 8.676 10.618 1.00 0.00 C ATOM 2292 OG SER A 150 -0.503 8.132 10.407 1.00 0.00 O ATOM 0 H SER A 150 -1.308 6.050 10.448 1.00 0.00 H new ATOM 0 HA SER A 150 -3.544 7.759 11.571 1.00 0.00 H new ATOM 0 HB2 SER A 150 -2.089 9.295 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 150 -1.797 9.321 11.497 1.00 0.00 H new ATOM 0 HG SER A 150 -0.261 8.220 9.461 1.00 0.00 H new ATOM 2298 N ARG A 151 -2.910 7.319 8.383 1.00 0.00 N ATOM 2299 CA ARG A 151 -3.621 7.106 7.087 1.00 0.00 C ATOM 2300 C ARG A 151 -3.334 5.709 6.525 1.00 0.00 C ATOM 2301 O ARG A 151 -2.198 5.283 6.465 1.00 0.00 O ATOM 2302 CB ARG A 151 -3.061 8.176 6.151 1.00 0.00 C ATOM 2303 CG ARG A 151 -3.009 9.519 6.882 1.00 0.00 C ATOM 2304 CD ARG A 151 -2.453 10.590 5.941 1.00 0.00 C ATOM 2305 NE ARG A 151 -1.257 11.134 6.643 1.00 0.00 N ATOM 2306 CZ ARG A 151 -0.584 12.122 6.119 1.00 0.00 C ATOM 2307 NH1 ARG A 151 -0.956 12.635 4.977 1.00 0.00 N ATOM 2308 NH2 ARG A 151 0.462 12.598 6.737 1.00 0.00 N ATOM 0 H ARG A 151 -1.906 7.480 8.306 1.00 0.00 H new ATOM 0 HA ARG A 151 -4.702 7.178 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -2.063 7.894 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -3.685 8.258 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -4.006 9.800 7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -2.382 9.438 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -2.184 10.165 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -3.190 11.371 5.752 1.00 0.00 H new ATOM 0 HE ARG A 151 -0.964 10.734 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -1.774 12.264 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -0.429 13.407 4.569 1.00 0.00 H new ATOM 0 HH21 ARG A 151 0.753 12.198 7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 151 0.988 13.370 6.328 1.00 0.00 H new ATOM 2322 N PRO A 152 -4.385 5.047 6.121 1.00 0.00 N ATOM 2323 CA PRO A 152 -4.257 3.689 5.543 1.00 0.00 C ATOM 2324 C PRO A 152 -3.775 3.774 4.091 1.00 0.00 C ATOM 2325 O PRO A 152 -4.085 4.708 3.379 1.00 0.00 O ATOM 2326 CB PRO A 152 -5.678 3.141 5.603 1.00 0.00 C ATOM 2327 CG PRO A 152 -6.567 4.346 5.600 1.00 0.00 C ATOM 2328 CD PRO A 152 -5.779 5.499 6.170 1.00 0.00 C ATOM 0 HA PRO A 152 -3.538 3.063 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -5.887 2.496 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.831 2.542 6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -6.899 4.574 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -7.462 4.163 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -5.923 6.407 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -6.088 5.725 7.191 1.00 0.00 H new ATOM 2336 N LEU A 153 -3.027 2.803 3.644 1.00 0.00 N ATOM 2337 CA LEU A 153 -2.537 2.831 2.237 1.00 0.00 C ATOM 2338 C LEU A 153 -3.595 2.235 1.304 1.00 0.00 C ATOM 2339 O LEU A 153 -3.928 1.071 1.393 1.00 0.00 O ATOM 2340 CB LEU A 153 -1.274 1.971 2.235 1.00 0.00 C ATOM 2341 CG LEU A 153 -0.270 2.538 1.230 1.00 0.00 C ATOM 2342 CD1 LEU A 153 0.935 1.602 1.126 1.00 0.00 C ATOM 2343 CD2 LEU A 153 -0.938 2.661 -0.142 1.00 0.00 C ATOM 0 H LEU A 153 -2.734 1.993 4.191 1.00 0.00 H new ATOM 0 HA LEU A 153 -2.335 3.844 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -0.834 1.951 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -1.523 0.942 1.975 1.00 0.00 H new ATOM 0 HG LEU A 153 0.062 3.521 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 153 1.650 2.007 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.411 1.512 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.604 0.619 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -0.224 3.065 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -1.270 1.677 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -1.797 3.328 -0.070 1.00 0.00 H new ATOM 2355 N SER A 154 -4.128 3.026 0.413 1.00 0.00 N ATOM 2356 CA SER A 154 -5.167 2.502 -0.519 1.00 0.00 C ATOM 2357 C SER A 154 -4.614 2.427 -1.945 1.00 0.00 C ATOM 2358 O SER A 154 -3.867 3.282 -2.377 1.00 0.00 O ATOM 2359 CB SER A 154 -6.311 3.511 -0.442 1.00 0.00 C ATOM 2360 OG SER A 154 -7.327 3.005 0.416 1.00 0.00 O ATOM 0 H SER A 154 -3.890 4.010 0.290 1.00 0.00 H new ATOM 0 HA SER A 154 -5.490 1.496 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 154 -5.944 4.466 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 154 -6.717 3.694 -1.437 1.00 0.00 H new ATOM 0 HG SER A 154 -8.062 3.651 0.469 1.00 0.00 H new ATOM 2510 N SER B 165 8.798 -7.265 15.311 1.00 0.00 N ATOM 2511 CA SER B 165 8.335 -7.977 16.538 1.00 0.00 C ATOM 2512 C SER B 165 6.819 -8.196 16.486 1.00 0.00 C ATOM 2513 O SER B 165 6.341 -9.144 15.896 1.00 0.00 O ATOM 2514 CB SER B 165 8.707 -7.051 17.695 1.00 0.00 C ATOM 2515 OG SER B 165 7.963 -7.420 18.849 1.00 0.00 O ATOM 0 HA SER B 165 8.791 -8.962 16.642 1.00 0.00 H new ATOM 0 HB2 SER B 165 9.775 -7.118 17.900 1.00 0.00 H new ATOM 0 HB3 SER B 165 8.497 -6.015 17.429 1.00 0.00 H new ATOM 0 HG SER B 165 8.200 -6.829 19.594 1.00 0.00 H new ATOM 2521 N THR B 166 6.060 -7.327 17.098 1.00 0.00 N ATOM 2522 CA THR B 166 4.576 -7.488 17.081 1.00 0.00 C ATOM 2523 C THR B 166 3.909 -6.328 17.827 1.00 0.00 C ATOM 2524 O THR B 166 4.451 -5.799 18.777 1.00 0.00 O ATOM 2525 CB THR B 166 4.314 -8.812 17.802 1.00 0.00 C ATOM 2526 OG1 THR B 166 2.920 -8.954 18.034 1.00 0.00 O ATOM 2527 CG2 THR B 166 5.059 -8.826 19.137 1.00 0.00 C ATOM 0 H THR B 166 6.402 -6.513 17.609 1.00 0.00 H new ATOM 0 HA THR B 166 4.171 -7.488 16.069 1.00 0.00 H new ATOM 0 HB THR B 166 4.667 -9.638 17.184 1.00 0.00 H new ATOM 0 HG1 THR B 166 2.750 -9.802 18.494 1.00 0.00 H new ATOM 0 HG21 THR B 166 4.871 -9.770 19.649 1.00 0.00 H new ATOM 0 HG22 THR B 166 6.129 -8.717 18.958 1.00 0.00 H new ATOM 0 HG23 THR B 166 4.709 -8.001 19.758 1.00 0.00 H new ATOM 2535 N VAL B 167 2.740 -5.928 17.405 1.00 0.00 N ATOM 2536 CA VAL B 167 2.051 -4.801 18.097 1.00 0.00 C ATOM 2537 C VAL B 167 1.244 -5.328 19.291 1.00 0.00 C ATOM 2538 O VAL B 167 0.697 -6.412 19.252 1.00 0.00 O ATOM 2539 CB VAL B 167 1.128 -4.184 17.042 1.00 0.00 C ATOM 2540 CG1 VAL B 167 0.003 -3.403 17.722 1.00 0.00 C ATOM 2541 CG2 VAL B 167 1.932 -3.224 16.164 1.00 0.00 C ATOM 0 H VAL B 167 2.235 -6.330 16.616 1.00 0.00 H new ATOM 0 HA VAL B 167 2.753 -4.067 18.492 1.00 0.00 H new ATOM 0 HB VAL B 167 0.702 -4.983 16.435 1.00 0.00 H new ATOM 0 HG11 VAL B 167 -0.648 -2.968 16.964 1.00 0.00 H new ATOM 0 HG12 VAL B 167 -0.576 -4.076 18.355 1.00 0.00 H new ATOM 0 HG13 VAL B 167 0.430 -2.608 18.333 1.00 0.00 H new ATOM 0 HG21 VAL B 167 1.277 -2.784 15.412 1.00 0.00 H new ATOM 0 HG22 VAL B 167 2.357 -2.434 16.783 1.00 0.00 H new ATOM 0 HG23 VAL B 167 2.736 -3.770 15.670 1.00 0.00 H new ATOM 2551 N VAL B 168 1.165 -4.567 20.350 1.00 0.00 N ATOM 2552 CA VAL B 168 0.395 -5.026 21.544 1.00 0.00 C ATOM 2553 C VAL B 168 -1.034 -5.399 21.143 1.00 0.00 C ATOM 2554 O VAL B 168 -1.512 -5.026 20.089 1.00 0.00 O ATOM 2555 CB VAL B 168 0.388 -3.833 22.504 1.00 0.00 C ATOM 2556 CG1 VAL B 168 -0.208 -2.610 21.807 1.00 0.00 C ATOM 2557 CG2 VAL B 168 -0.458 -4.175 23.731 1.00 0.00 C ATOM 0 H VAL B 168 1.599 -3.649 20.440 1.00 0.00 H new ATOM 0 HA VAL B 168 0.839 -5.911 22.000 1.00 0.00 H new ATOM 0 HB VAL B 168 1.411 -3.612 22.810 1.00 0.00 H new ATOM 0 HG11 VAL B 168 -0.210 -1.764 22.495 1.00 0.00 H new ATOM 0 HG12 VAL B 168 0.391 -2.363 20.930 1.00 0.00 H new ATOM 0 HG13 VAL B 168 -1.230 -2.829 21.498 1.00 0.00 H new ATOM 0 HG21 VAL B 168 -0.465 -3.327 24.416 1.00 0.00 H new ATOM 0 HG22 VAL B 168 -1.478 -4.397 23.419 1.00 0.00 H new ATOM 0 HG23 VAL B 168 -0.035 -5.045 24.234 1.00 0.00 H new