USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 692 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 95 TYR OH : rot -62:sc= 1.22 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.63 K(o=2.9,f=-0.49) USER MOD Set 2.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.00792 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.03) USER MOD Single : A 14 CYS SG : rot -165:sc= -1.45 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4!) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0.618 (180deg=0.547) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.283 K(o=-0.28,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot -42:sc= 1.32 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 0:sc= 0 USER MOD Single : A 47 SER OG : rot 130:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= 0.00987 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.054) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.758 K(o=0.76,f=-7.2!) USER MOD Single : A 67 THR OG1 : rot 56:sc= 1.27 USER MOD Single : A 68 ASN : amide:sc= 0.324 K(o=0.32,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 143:sc= 0.383 (180deg=-0.12) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.462 F(o=-0.14,f=0.46) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.349 -0.700 -4.392 1.00 0.00 N ATOM 30 CA ASP A 3 -0.901 -1.077 -5.724 1.00 0.00 C ATOM 31 C ASP A 3 -2.473 -0.991 -5.729 1.00 0.00 C ATOM 32 O ASP A 3 -3.111 -1.841 -5.093 1.00 0.00 O ATOM 33 CB ASP A 3 -0.368 -2.492 -6.075 1.00 0.00 C ATOM 34 CG ASP A 3 -0.566 -2.893 -7.536 1.00 0.00 C ATOM 35 OD1 ASP A 3 0.152 -2.504 -8.450 1.00 0.00 O ATOM 36 OD2 ASP A 3 -1.626 -3.727 -7.715 1.00 0.00 O ATOM 0 HA ASP A 3 -0.572 -0.378 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.695 -2.536 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.866 -3.223 -5.439 1.00 0.00 H new ATOM 41 N PRO A 4 -3.149 -0.041 -6.447 1.00 0.00 N ATOM 42 CA PRO A 4 -4.637 0.052 -6.451 1.00 0.00 C ATOM 43 C PRO A 4 -5.454 -1.051 -7.200 1.00 0.00 C ATOM 44 O PRO A 4 -6.590 -1.320 -6.803 1.00 0.00 O ATOM 45 CB PRO A 4 -4.890 1.477 -6.971 1.00 0.00 C ATOM 46 CG PRO A 4 -3.627 1.939 -7.689 1.00 0.00 C ATOM 47 CD PRO A 4 -2.486 1.053 -7.184 1.00 0.00 C ATOM 0 HA PRO A 4 -5.020 -0.143 -5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.743 1.491 -7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.128 2.148 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.740 1.847 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.424 2.989 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.890 0.667 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.809 1.611 -6.537 1.00 0.00 H new ATOM 55 N ALA A 5 -4.896 -1.722 -8.227 1.00 0.00 N ATOM 56 CA ALA A 5 -5.491 -2.962 -8.806 1.00 0.00 C ATOM 57 C ALA A 5 -5.606 -4.178 -7.822 1.00 0.00 C ATOM 58 O ALA A 5 -6.691 -4.756 -7.702 1.00 0.00 O ATOM 59 CB ALA A 5 -4.698 -3.294 -10.084 1.00 0.00 C ATOM 0 H ALA A 5 -4.030 -1.431 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.537 -2.763 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.103 -4.198 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.779 -2.466 -10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.650 -3.454 -9.831 1.00 0.00 H new ATOM 65 N ALA A 6 -4.541 -4.512 -7.061 1.00 0.00 N ATOM 66 CA ALA A 6 -4.664 -5.368 -5.847 1.00 0.00 C ATOM 67 C ALA A 6 -5.565 -4.799 -4.694 1.00 0.00 C ATOM 68 O ALA A 6 -6.339 -5.550 -4.096 1.00 0.00 O ATOM 69 CB ALA A 6 -3.232 -5.672 -5.373 1.00 0.00 C ATOM 0 H ALA A 6 -3.588 -4.207 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.202 -6.274 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.269 -6.299 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.691 -6.194 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.720 -4.738 -5.139 1.00 0.00 H new ATOM 75 N GLY A 7 -5.529 -3.479 -4.426 1.00 0.00 N ATOM 76 CA GLY A 7 -6.538 -2.793 -3.573 1.00 0.00 C ATOM 77 C GLY A 7 -8.040 -2.936 -3.913 1.00 0.00 C ATOM 78 O GLY A 7 -8.844 -3.043 -2.989 1.00 0.00 O ATOM 0 H GLY A 7 -4.808 -2.856 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.398 -3.147 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.301 -1.729 -3.577 1.00 0.00 H new ATOM 82 N GLU A 8 -8.418 -2.977 -5.201 1.00 0.00 N ATOM 83 CA GLU A 8 -9.799 -3.335 -5.641 1.00 0.00 C ATOM 84 C GLU A 8 -10.304 -4.751 -5.214 1.00 0.00 C ATOM 85 O GLU A 8 -11.456 -4.865 -4.785 1.00 0.00 O ATOM 86 CB GLU A 8 -9.891 -3.124 -7.178 1.00 0.00 C ATOM 87 CG GLU A 8 -11.327 -3.045 -7.768 1.00 0.00 C ATOM 88 CD GLU A 8 -11.952 -4.356 -8.258 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.508 -5.095 -7.250 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.968 -4.683 -9.441 1.00 0.00 O ATOM 0 H GLU A 8 -7.786 -2.766 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.481 -2.669 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.364 -2.204 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.362 -3.940 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.983 -2.621 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.312 -2.344 -8.603 1.00 0.00 H new ATOM 97 N LYS A 9 -9.485 -5.810 -5.356 1.00 0.00 N ATOM 98 CA LYS A 9 -9.786 -7.150 -4.764 1.00 0.00 C ATOM 99 C LYS A 9 -9.750 -7.227 -3.196 1.00 0.00 C ATOM 100 O LYS A 9 -10.637 -7.855 -2.612 1.00 0.00 O ATOM 101 CB LYS A 9 -8.988 -8.270 -5.484 1.00 0.00 C ATOM 102 CG LYS A 9 -7.450 -8.237 -5.359 1.00 0.00 C ATOM 103 CD LYS A 9 -6.718 -9.436 -6.004 1.00 0.00 C ATOM 104 CE LYS A 9 -6.700 -9.469 -7.546 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.809 -8.434 -8.113 1.00 0.00 N ATOM 0 H LYS A 9 -8.607 -5.775 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.843 -7.330 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.337 -9.230 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.241 -8.236 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.083 -7.318 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.187 -8.195 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.688 -9.441 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.183 -10.355 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.373 -10.453 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.712 -9.322 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.827 -8.492 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.135 -7.493 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.838 -8.588 -7.774 1.00 0.00 H new ATOM 118 N VAL A 10 -8.811 -6.543 -2.505 1.00 0.00 N ATOM 119 CA VAL A 10 -8.885 -6.317 -1.019 1.00 0.00 C ATOM 120 C VAL A 10 -10.169 -5.516 -0.569 1.00 0.00 C ATOM 121 O VAL A 10 -10.808 -5.910 0.412 1.00 0.00 O ATOM 122 CB VAL A 10 -7.548 -5.706 -0.462 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.529 -5.559 1.080 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.273 -6.515 -0.810 1.00 0.00 C ATOM 0 H VAL A 10 -7.986 -6.132 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.999 -7.299 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.530 -4.735 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.577 -5.131 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.342 -4.903 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.656 -6.539 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.400 -6.019 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.356 -7.520 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.165 -6.575 -1.893 1.00 0.00 H new ATOM 134 N PHE A 11 -10.594 -4.456 -1.293 1.00 0.00 N ATOM 135 CA PHE A 11 -11.934 -3.813 -1.114 1.00 0.00 C ATOM 136 C PHE A 11 -13.206 -4.722 -1.329 1.00 0.00 C ATOM 137 O PHE A 11 -14.286 -4.359 -0.857 1.00 0.00 O ATOM 138 CB PHE A 11 -11.947 -2.520 -1.984 1.00 0.00 C ATOM 139 CG PHE A 11 -12.993 -1.465 -1.578 1.00 0.00 C ATOM 140 CD1 PHE A 11 -12.687 -0.510 -0.602 1.00 0.00 C ATOM 141 CD2 PHE A 11 -14.263 -1.459 -2.165 1.00 0.00 C ATOM 142 CE1 PHE A 11 -13.648 0.412 -0.196 1.00 0.00 C ATOM 143 CE2 PHE A 11 -15.227 -0.542 -1.750 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.920 0.389 -0.761 1.00 0.00 C ATOM 0 H PHE A 11 -10.027 -4.017 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.039 -3.584 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.958 -2.063 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.123 -2.802 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.701 -0.488 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.498 -2.169 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.406 1.146 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.211 -0.553 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.669 1.094 -0.432 1.00 0.00 H new ATOM 154 N GLY A 12 -13.088 -5.937 -1.903 1.00 0.00 N ATOM 155 CA GLY A 12 -14.019 -7.066 -1.617 1.00 0.00 C ATOM 156 C GLY A 12 -14.425 -7.366 -0.145 1.00 0.00 C ATOM 157 O GLY A 12 -15.594 -7.660 0.110 1.00 0.00 O ATOM 0 H GLY A 12 -12.355 -6.170 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.935 -6.885 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.570 -7.972 -2.024 1.00 0.00 H new ATOM 161 N LYS A 13 -13.494 -7.234 0.818 1.00 0.00 N ATOM 162 CA LYS A 13 -13.830 -7.196 2.277 1.00 0.00 C ATOM 163 C LYS A 13 -14.551 -5.902 2.823 1.00 0.00 C ATOM 164 O LYS A 13 -14.979 -5.902 3.979 1.00 0.00 O ATOM 165 CB LYS A 13 -12.521 -7.486 3.072 1.00 0.00 C ATOM 166 CG LYS A 13 -11.960 -8.928 2.953 1.00 0.00 C ATOM 167 CD LYS A 13 -10.643 -9.188 3.719 1.00 0.00 C ATOM 168 CE LYS A 13 -10.781 -9.200 5.252 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.496 -9.560 5.887 1.00 0.00 N ATOM 0 H LYS A 13 -12.496 -7.151 0.624 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.593 -7.960 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.753 -6.789 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.704 -7.274 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.716 -9.625 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.798 -9.152 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.235 -10.146 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.919 -8.423 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.103 -8.219 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.551 -9.912 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.618 -10.424 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.780 -9.726 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.184 -8.783 6.505 1.00 0.00 H new ATOM 182 N CYS A 14 -14.696 -4.826 2.028 1.00 0.00 N ATOM 183 CA CYS A 14 -15.439 -3.586 2.400 1.00 0.00 C ATOM 184 C CYS A 14 -16.788 -3.363 1.629 1.00 0.00 C ATOM 185 O CYS A 14 -17.765 -2.912 2.235 1.00 0.00 O ATOM 186 CB CYS A 14 -14.499 -2.378 2.175 1.00 0.00 C ATOM 187 SG CYS A 14 -12.789 -2.661 2.699 1.00 0.00 S ATOM 0 H CYS A 14 -14.297 -4.783 1.090 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.729 -3.695 3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.505 -2.120 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.895 -1.518 2.715 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.163 -1.524 2.769 1.00 0.00 H new ATOM 192 N LYS A 15 -16.838 -3.639 0.305 1.00 0.00 N ATOM 193 CA LYS A 15 -17.994 -3.311 -0.585 1.00 0.00 C ATOM 194 C LYS A 15 -19.420 -3.850 -0.232 1.00 0.00 C ATOM 195 O LYS A 15 -20.410 -3.199 -0.573 1.00 0.00 O ATOM 196 CB LYS A 15 -17.588 -3.633 -2.052 1.00 0.00 C ATOM 197 CG LYS A 15 -17.518 -5.126 -2.457 1.00 0.00 C ATOM 198 CD LYS A 15 -16.979 -5.322 -3.891 1.00 0.00 C ATOM 199 CE LYS A 15 -17.037 -6.771 -4.407 1.00 0.00 C ATOM 200 NZ LYS A 15 -18.410 -7.158 -4.795 1.00 0.00 N ATOM 0 H LYS A 15 -16.073 -4.100 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.163 -2.248 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.296 -3.136 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.611 -3.187 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.878 -5.661 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.512 -5.567 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.549 -4.686 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.945 -4.979 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.372 -6.879 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.673 -7.448 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.410 -8.140 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.039 -7.079 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.748 -6.528 -5.550 1.00 0.00 H new ATOM 213 N ALA A 16 -19.537 -4.998 0.463 1.00 0.00 N ATOM 214 CA ALA A 16 -20.820 -5.443 1.075 1.00 0.00 C ATOM 215 C ALA A 16 -21.491 -4.468 2.106 1.00 0.00 C ATOM 216 O ALA A 16 -22.721 -4.386 2.140 1.00 0.00 O ATOM 217 CB ALA A 16 -20.555 -6.833 1.683 1.00 0.00 C ATOM 0 H ALA A 16 -18.761 -5.641 0.619 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.569 -5.464 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.468 -7.207 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.239 -7.520 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.770 -6.757 2.436 1.00 0.00 H new ATOM 223 N CYS A 17 -20.705 -3.728 2.914 1.00 0.00 N ATOM 224 CA CYS A 17 -21.225 -2.611 3.744 1.00 0.00 C ATOM 225 C CYS A 17 -21.086 -1.170 3.130 1.00 0.00 C ATOM 226 O CYS A 17 -21.993 -0.351 3.315 1.00 0.00 O ATOM 227 CB CYS A 17 -20.533 -2.682 5.119 1.00 0.00 C ATOM 228 SG CYS A 17 -20.666 -4.319 5.905 1.00 0.00 S ATOM 0 H CYS A 17 -19.701 -3.882 3.013 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.303 -2.755 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.480 -2.427 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.971 -1.933 5.778 1.00 0.00 H new ATOM 0 HG CYS A 17 -20.059 -4.299 7.054 1.00 0.00 H new ATOM 233 N HIS A 18 -19.952 -0.836 2.479 1.00 0.00 N ATOM 234 CA HIS A 18 -19.584 0.551 2.097 1.00 0.00 C ATOM 235 C HIS A 18 -19.655 0.796 0.558 1.00 0.00 C ATOM 236 O HIS A 18 -19.275 -0.034 -0.272 1.00 0.00 O ATOM 237 CB HIS A 18 -18.131 0.818 2.571 1.00 0.00 C ATOM 238 CG HIS A 18 -17.958 1.079 4.060 1.00 0.00 C ATOM 239 ND1 HIS A 18 -18.134 2.313 4.632 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.291 0.237 4.946 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.464 2.146 5.804 1.00 0.00 C ATOM 242 NE2 HIS A 18 -16.869 0.926 6.097 1.00 0.00 N ATOM 0 H HIS A 18 -19.256 -1.527 2.199 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.300 1.224 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.516 -0.040 2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.742 1.676 2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.630 3.130 4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.119 -0.815 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.395 2.963 6.507 1.00 0.00 H new ATOM 250 N LYS A 19 -20.075 2.016 0.212 1.00 0.00 N ATOM 251 CA LYS A 19 -20.241 2.467 -1.199 1.00 0.00 C ATOM 252 C LYS A 19 -19.121 3.469 -1.653 1.00 0.00 C ATOM 253 O LYS A 19 -18.738 4.395 -0.931 1.00 0.00 O ATOM 254 CB LYS A 19 -21.649 3.117 -1.320 1.00 0.00 C ATOM 255 CG LYS A 19 -22.851 2.138 -1.288 1.00 0.00 C ATOM 256 CD LYS A 19 -24.190 2.886 -1.155 1.00 0.00 C ATOM 257 CE LYS A 19 -25.416 1.966 -1.109 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.623 2.765 -0.818 1.00 0.00 N ATOM 0 H LYS A 19 -20.314 2.733 0.897 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.149 1.606 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.768 3.835 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.689 3.681 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.857 1.539 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.736 1.447 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.168 3.491 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.295 3.573 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.531 1.448 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.281 1.201 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.417 2.129 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.442 3.382 -0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.861 3.348 -1.646 1.00 0.00 H new ATOM 271 N LEU A 20 -18.657 3.323 -2.905 1.00 0.00 N ATOM 272 CA LEU A 20 -17.879 4.386 -3.637 1.00 0.00 C ATOM 273 C LEU A 20 -18.718 5.195 -4.700 1.00 0.00 C ATOM 274 O LEU A 20 -18.149 5.839 -5.585 1.00 0.00 O ATOM 275 CB LEU A 20 -16.663 3.671 -4.293 1.00 0.00 C ATOM 276 CG LEU A 20 -15.576 3.094 -3.344 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.591 2.222 -4.135 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.802 4.189 -2.588 1.00 0.00 C ATOM 0 H LEU A 20 -18.800 2.475 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.567 5.149 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.043 2.854 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.180 4.378 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.097 2.491 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.834 1.823 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.129 1.398 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.109 2.824 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.057 3.727 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.305 4.844 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.496 4.773 -1.983 1.00 0.00 H new ATOM 290 N ASP A 21 -20.054 5.250 -4.575 1.00 0.00 N ATOM 291 CA ASP A 21 -20.950 6.067 -5.457 1.00 0.00 C ATOM 292 C ASP A 21 -21.535 7.365 -4.779 1.00 0.00 C ATOM 293 O ASP A 21 -22.644 7.800 -5.110 1.00 0.00 O ATOM 294 CB ASP A 21 -22.067 5.122 -5.995 1.00 0.00 C ATOM 295 CG ASP A 21 -21.601 4.001 -6.928 1.00 0.00 C ATOM 296 OD1 ASP A 21 -21.437 4.432 -8.214 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.398 2.852 -6.547 1.00 0.00 O ATOM 0 H ASP A 21 -20.561 4.730 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.353 6.467 -6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.577 4.671 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.804 5.726 -6.524 1.00 0.00 H new ATOM 302 N GLY A 22 -20.799 8.013 -3.854 1.00 0.00 N ATOM 303 CA GLY A 22 -21.211 9.302 -3.222 1.00 0.00 C ATOM 304 C GLY A 22 -22.395 9.340 -2.214 1.00 0.00 C ATOM 305 O GLY A 22 -22.744 10.419 -1.736 1.00 0.00 O ATOM 0 H GLY A 22 -19.901 7.665 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.337 9.703 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.452 9.994 -4.029 1.00 0.00 H new ATOM 309 N ASN A 23 -23.007 8.187 -1.907 1.00 0.00 N ATOM 310 CA ASN A 23 -24.203 8.062 -1.032 1.00 0.00 C ATOM 311 C ASN A 23 -24.010 6.839 -0.074 1.00 0.00 C ATOM 312 O ASN A 23 -23.417 5.825 -0.454 1.00 0.00 O ATOM 313 CB ASN A 23 -25.456 7.862 -1.931 1.00 0.00 C ATOM 314 CG ASN A 23 -25.927 9.100 -2.705 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.683 9.924 -2.204 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.508 9.276 -3.937 1.00 0.00 N ATOM 0 H ASN A 23 -22.683 7.288 -2.264 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.335 8.960 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -25.243 7.068 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -26.277 7.514 -1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.812 10.093 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.879 8.596 -4.364 1.00 0.00 H new ATOM 323 N ASP A 24 -24.504 6.920 1.173 1.00 0.00 N ATOM 324 CA ASP A 24 -24.301 5.849 2.199 1.00 0.00 C ATOM 325 C ASP A 24 -25.255 4.603 2.113 1.00 0.00 C ATOM 326 O ASP A 24 -26.320 4.654 1.489 1.00 0.00 O ATOM 327 CB ASP A 24 -24.296 6.530 3.593 1.00 0.00 C ATOM 328 CG ASP A 24 -25.599 7.140 4.114 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.428 6.522 4.772 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.701 8.463 3.822 1.00 0.00 O ATOM 0 H ASP A 24 -25.050 7.713 1.508 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.339 5.379 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.962 5.791 4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.545 7.320 3.573 1.00 0.00 H new ATOM 335 N GLY A 25 -24.858 3.477 2.744 1.00 0.00 N ATOM 336 CA GLY A 25 -25.705 2.252 2.824 1.00 0.00 C ATOM 337 C GLY A 25 -25.735 1.639 4.238 1.00 0.00 C ATOM 338 O GLY A 25 -26.349 2.205 5.145 1.00 0.00 O ATOM 0 H GLY A 25 -23.955 3.384 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.722 2.498 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.330 1.510 2.119 1.00 0.00 H new ATOM 342 N VAL A 26 -25.066 0.491 4.432 1.00 0.00 N ATOM 343 CA VAL A 26 -24.831 -0.087 5.803 1.00 0.00 C ATOM 344 C VAL A 26 -23.704 0.694 6.565 1.00 0.00 C ATOM 345 O VAL A 26 -23.919 1.103 7.708 1.00 0.00 O ATOM 346 CB VAL A 26 -24.570 -1.635 5.770 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.362 -2.272 7.167 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.671 -2.460 5.062 1.00 0.00 C ATOM 0 H VAL A 26 -24.673 -0.067 3.674 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.754 0.045 6.367 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.647 -1.687 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.188 -3.342 7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.501 -1.812 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -25.251 -2.110 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.407 -3.517 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.622 -2.311 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.761 -2.133 4.026 1.00 0.00 H new ATOM 358 N GLY A 27 -22.524 0.894 5.949 1.00 0.00 N ATOM 359 CA GLY A 27 -21.587 1.960 6.367 1.00 0.00 C ATOM 360 C GLY A 27 -21.683 3.290 5.552 1.00 0.00 C ATOM 361 O GLY A 27 -22.420 3.365 4.558 1.00 0.00 O ATOM 0 H GLY A 27 -22.195 0.335 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.763 2.184 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.569 1.578 6.289 1.00 0.00 H new ATOM 365 N PRO A 28 -20.923 4.365 5.907 1.00 0.00 N ATOM 366 CA PRO A 28 -20.835 5.605 5.083 1.00 0.00 C ATOM 367 C PRO A 28 -20.150 5.429 3.687 1.00 0.00 C ATOM 368 O PRO A 28 -19.464 4.435 3.429 1.00 0.00 O ATOM 369 CB PRO A 28 -20.052 6.536 6.032 1.00 0.00 C ATOM 370 CG PRO A 28 -19.193 5.610 6.889 1.00 0.00 C ATOM 371 CD PRO A 28 -20.097 4.412 7.129 1.00 0.00 C ATOM 0 HA PRO A 28 -21.812 5.980 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.435 7.239 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.728 7.127 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.275 5.324 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.900 6.086 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.523 3.495 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.707 4.540 8.023 1.00 0.00 H new ATOM 379 N HIS A 29 -20.293 6.414 2.781 1.00 0.00 N ATOM 380 CA HIS A 29 -19.544 6.401 1.492 1.00 0.00 C ATOM 381 C HIS A 29 -18.019 6.688 1.686 1.00 0.00 C ATOM 382 O HIS A 29 -17.633 7.702 2.282 1.00 0.00 O ATOM 383 CB HIS A 29 -20.225 7.302 0.429 1.00 0.00 C ATOM 384 CG HIS A 29 -20.202 8.816 0.634 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.239 9.520 1.225 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.233 9.692 0.116 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.794 10.797 0.990 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.593 11.003 0.363 1.00 0.00 N ATOM 0 H HIS A 29 -20.907 7.219 2.905 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.588 5.387 1.094 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.758 7.091 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.268 6.994 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.336 9.385 -0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.392 11.641 1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.106 11.872 0.143 1.00 0.00 H new ATOM 396 N LEU A 30 -17.149 5.796 1.189 1.00 0.00 N ATOM 397 CA LEU A 30 -15.667 5.953 1.330 1.00 0.00 C ATOM 398 C LEU A 30 -14.941 6.742 0.184 1.00 0.00 C ATOM 399 O LEU A 30 -13.710 6.684 0.099 1.00 0.00 O ATOM 400 CB LEU A 30 -15.036 4.552 1.591 1.00 0.00 C ATOM 401 CG LEU A 30 -15.428 3.811 2.898 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.745 2.434 2.946 1.00 0.00 C ATOM 403 CD2 LEU A 30 -15.086 4.585 4.186 1.00 0.00 C ATOM 0 H LEU A 30 -17.431 4.955 0.685 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.507 6.607 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.294 3.907 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.952 4.667 1.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.513 3.712 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.025 1.921 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.062 1.841 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.663 2.563 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.391 4.000 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.012 4.764 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.613 5.539 4.188 1.00 0.00 H new ATOM 415 N ASN A 31 -15.655 7.545 -0.637 1.00 0.00 N ATOM 416 CA ASN A 31 -15.048 8.307 -1.762 1.00 0.00 C ATOM 417 C ASN A 31 -14.072 9.419 -1.259 1.00 0.00 C ATOM 418 O ASN A 31 -14.469 10.329 -0.517 1.00 0.00 O ATOM 419 CB ASN A 31 -16.105 8.965 -2.689 1.00 0.00 C ATOM 420 CG ASN A 31 -17.325 8.213 -3.202 1.00 0.00 C ATOM 421 OD1 ASN A 31 -17.998 7.465 -2.501 1.00 0.00 O ATOM 422 ND2 ASN A 31 -17.698 8.474 -4.432 1.00 0.00 N ATOM 0 H ASN A 31 -16.661 7.685 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.494 7.563 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.479 9.843 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.569 9.325 -3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.549 8.055 -4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.137 9.096 -5.014 1.00 0.00 H new ATOM 429 N GLY A 32 -12.782 9.279 -1.596 1.00 0.00 N ATOM 430 CA GLY A 32 -11.720 10.182 -1.075 1.00 0.00 C ATOM 431 C GLY A 32 -11.499 10.225 0.455 1.00 0.00 C ATOM 432 O GLY A 32 -11.173 11.287 0.987 1.00 0.00 O ATOM 0 H GLY A 32 -12.439 8.553 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.778 9.896 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.947 11.194 -1.410 1.00 0.00 H new ATOM 436 N VAL A 33 -11.656 9.089 1.158 1.00 0.00 N ATOM 437 CA VAL A 33 -11.476 9.028 2.647 1.00 0.00 C ATOM 438 C VAL A 33 -10.012 9.241 3.194 1.00 0.00 C ATOM 439 O VAL A 33 -9.856 9.645 4.348 1.00 0.00 O ATOM 440 CB VAL A 33 -12.233 7.785 3.229 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.527 6.444 2.965 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.530 7.893 4.743 1.00 0.00 C ATOM 0 H VAL A 33 -11.906 8.196 0.734 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.949 9.926 3.045 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.175 7.796 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.112 5.633 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.431 6.288 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.536 6.459 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.055 6.998 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.593 7.989 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.151 8.769 4.930 1.00 0.00 H new ATOM 452 N VAL A 34 -8.955 9.018 2.387 1.00 0.00 N ATOM 453 CA VAL A 34 -7.531 9.241 2.793 1.00 0.00 C ATOM 454 C VAL A 34 -7.240 10.783 2.893 1.00 0.00 C ATOM 455 O VAL A 34 -7.200 11.490 1.883 1.00 0.00 O ATOM 456 CB VAL A 34 -6.553 8.478 1.829 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.072 8.596 2.258 1.00 0.00 C ATOM 458 CG2 VAL A 34 -6.845 6.963 1.686 1.00 0.00 C ATOM 0 H VAL A 34 -9.053 8.677 1.431 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.358 8.823 3.785 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.728 8.975 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.445 8.049 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.778 9.646 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.948 8.177 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.123 6.516 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.766 6.484 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.852 6.822 1.293 1.00 0.00 H new ATOM 468 N GLY A 35 -7.088 11.291 4.128 1.00 0.00 N ATOM 469 CA GLY A 35 -7.156 12.754 4.419 1.00 0.00 C ATOM 470 C GLY A 35 -8.505 13.370 4.890 1.00 0.00 C ATOM 471 O GLY A 35 -8.527 14.564 5.193 1.00 0.00 O ATOM 0 H GLY A 35 -6.916 10.715 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.411 12.972 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.851 13.283 3.516 1.00 0.00 H new ATOM 475 N ARG A 36 -9.612 12.611 4.954 1.00 0.00 N ATOM 476 CA ARG A 36 -10.977 13.155 5.209 1.00 0.00 C ATOM 477 C ARG A 36 -11.406 13.004 6.704 1.00 0.00 C ATOM 478 O ARG A 36 -11.005 12.064 7.394 1.00 0.00 O ATOM 479 CB ARG A 36 -11.928 12.390 4.250 1.00 0.00 C ATOM 480 CG ARG A 36 -13.301 13.049 3.960 1.00 0.00 C ATOM 481 CD ARG A 36 -14.207 12.203 3.040 1.00 0.00 C ATOM 482 NE ARG A 36 -14.822 11.087 3.808 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.583 10.123 3.294 1.00 0.00 C ATOM 484 NH1 ARG A 36 -15.806 9.953 2.017 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.145 9.283 4.109 1.00 0.00 N ATOM 0 H ARG A 36 -9.596 11.599 4.831 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.009 14.228 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.412 12.247 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.107 11.399 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.817 13.225 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.138 14.023 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.987 12.831 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.624 11.805 2.210 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.646 11.058 4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.383 10.585 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.403 9.189 1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.998 9.372 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.733 8.534 3.744 1.00 0.00 H new ATOM 499 N THR A 37 -12.254 13.915 7.203 1.00 0.00 N ATOM 500 CA THR A 37 -12.621 13.997 8.651 1.00 0.00 C ATOM 501 C THR A 37 -13.282 12.709 9.258 1.00 0.00 C ATOM 502 O THR A 37 -14.069 12.011 8.607 1.00 0.00 O ATOM 503 CB THR A 37 -13.451 15.308 8.837 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.709 16.434 8.363 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.831 15.653 10.286 1.00 0.00 C ATOM 0 H THR A 37 -12.712 14.621 6.627 1.00 0.00 H new ATOM 0 HA THR A 37 -11.710 14.044 9.247 1.00 0.00 H new ATOM 0 HB THR A 37 -14.365 15.111 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.773 16.350 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.404 16.580 10.301 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.433 14.847 10.706 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.925 15.777 10.880 1.00 0.00 H new ATOM 513 N VAL A 38 -12.949 12.408 10.530 1.00 0.00 N ATOM 514 CA VAL A 38 -13.565 11.284 11.301 1.00 0.00 C ATOM 515 C VAL A 38 -15.051 11.645 11.664 1.00 0.00 C ATOM 516 O VAL A 38 -15.335 12.733 12.172 1.00 0.00 O ATOM 517 CB VAL A 38 -12.694 10.901 12.550 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.254 9.672 13.302 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.213 10.565 12.240 1.00 0.00 C ATOM 0 H VAL A 38 -12.249 12.929 11.059 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.591 10.388 10.680 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.740 11.809 13.152 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.617 9.447 14.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.265 9.887 13.649 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.276 8.814 12.631 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.695 10.314 13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.168 9.717 11.557 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.733 11.428 11.779 1.00 0.00 H new ATOM 529 N ALA A 39 -15.996 10.748 11.318 1.00 0.00 N ATOM 530 CA ALA A 39 -17.443 11.088 11.151 1.00 0.00 C ATOM 531 C ALA A 39 -17.834 12.036 9.953 1.00 0.00 C ATOM 532 O ALA A 39 -18.892 12.672 9.968 1.00 0.00 O ATOM 533 CB ALA A 39 -18.105 11.456 12.498 1.00 0.00 C ATOM 0 H ALA A 39 -15.788 9.765 11.144 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.888 10.153 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.155 11.696 12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.029 10.612 13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.598 12.320 12.928 1.00 0.00 H new ATOM 539 N GLY A 40 -17.041 12.068 8.864 1.00 0.00 N ATOM 540 CA GLY A 40 -17.239 13.010 7.730 1.00 0.00 C ATOM 541 C GLY A 40 -18.131 12.515 6.574 1.00 0.00 C ATOM 542 O GLY A 40 -17.731 12.560 5.410 1.00 0.00 O ATOM 0 H GLY A 40 -16.244 11.444 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.669 13.931 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.261 13.263 7.322 1.00 0.00 H new ATOM 546 N VAL A 41 -19.354 12.094 6.916 1.00 0.00 N ATOM 547 CA VAL A 41 -20.488 11.983 5.943 1.00 0.00 C ATOM 548 C VAL A 41 -21.750 12.608 6.622 1.00 0.00 C ATOM 549 O VAL A 41 -22.450 11.945 7.396 1.00 0.00 O ATOM 550 CB VAL A 41 -20.715 10.523 5.398 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.979 10.367 4.519 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.526 10.021 4.548 1.00 0.00 C ATOM 0 H VAL A 41 -19.602 11.818 7.866 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.249 12.540 5.037 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.829 9.933 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -22.064 9.333 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.862 10.633 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.903 11.024 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.732 9.010 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.386 10.682 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.621 10.017 5.155 1.00 0.00 H new ATOM 562 N ASP A 42 -22.085 13.865 6.269 1.00 0.00 N ATOM 563 CA ASP A 42 -23.378 14.501 6.663 1.00 0.00 C ATOM 564 C ASP A 42 -24.543 13.901 5.807 1.00 0.00 C ATOM 565 O ASP A 42 -24.714 14.230 4.629 1.00 0.00 O ATOM 566 CB ASP A 42 -23.277 16.042 6.518 1.00 0.00 C ATOM 567 CG ASP A 42 -22.307 16.722 7.485 1.00 0.00 C ATOM 568 OD1 ASP A 42 -22.842 16.880 8.728 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.173 17.074 7.180 1.00 0.00 O ATOM 0 H ASP A 42 -21.482 14.469 5.710 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.594 14.287 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.973 16.276 5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.269 16.471 6.661 1.00 0.00 H new ATOM 574 N GLY A 43 -25.267 12.935 6.391 1.00 0.00 N ATOM 575 CA GLY A 43 -26.012 11.914 5.601 1.00 0.00 C ATOM 576 C GLY A 43 -26.004 10.462 6.143 1.00 0.00 C ATOM 577 O GLY A 43 -26.919 9.708 5.804 1.00 0.00 O ATOM 0 H GLY A 43 -25.359 12.830 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.049 12.239 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.601 11.901 4.591 1.00 0.00 H new ATOM 581 N PHE A 44 -24.983 10.039 6.914 1.00 0.00 N ATOM 582 CA PHE A 44 -24.988 8.747 7.654 1.00 0.00 C ATOM 583 C PHE A 44 -25.188 8.994 9.189 1.00 0.00 C ATOM 584 O PHE A 44 -24.591 9.901 9.781 1.00 0.00 O ATOM 585 CB PHE A 44 -23.655 8.007 7.331 1.00 0.00 C ATOM 586 CG PHE A 44 -23.545 6.595 7.938 1.00 0.00 C ATOM 587 CD1 PHE A 44 -24.237 5.521 7.370 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.850 6.400 9.136 1.00 0.00 C ATOM 589 CE1 PHE A 44 -24.244 4.278 7.993 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.867 5.159 9.766 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.558 4.096 9.191 1.00 0.00 C ATOM 0 H PHE A 44 -24.128 10.579 7.046 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.822 8.119 7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.548 7.933 6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.822 8.610 7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.770 5.658 6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.297 7.217 9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.781 3.454 7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.344 5.021 10.701 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.562 3.130 9.674 1.00 0.00 H new ATOM 601 N ASN A 45 -25.979 8.125 9.846 1.00 0.00 N ATOM 602 CA ASN A 45 -26.136 8.137 11.326 1.00 0.00 C ATOM 603 C ASN A 45 -24.920 7.449 12.039 1.00 0.00 C ATOM 604 O ASN A 45 -24.869 6.223 12.174 1.00 0.00 O ATOM 605 CB ASN A 45 -27.501 7.467 11.637 1.00 0.00 C ATOM 606 CG ASN A 45 -27.975 7.622 13.077 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.486 8.658 13.485 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.844 6.609 13.889 1.00 0.00 N ATOM 0 H ASN A 45 -26.524 7.400 9.379 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.137 9.154 11.719 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.256 7.888 10.973 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.430 6.404 11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -28.166 6.684 14.854 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.420 5.742 13.559 1.00 0.00 H new ATOM 615 N TYR A 46 -23.946 8.254 12.491 1.00 0.00 N ATOM 616 CA TYR A 46 -22.713 7.747 13.149 1.00 0.00 C ATOM 617 C TYR A 46 -22.884 7.355 14.655 1.00 0.00 C ATOM 618 O TYR A 46 -23.834 7.739 15.345 1.00 0.00 O ATOM 619 CB TYR A 46 -21.591 8.815 12.956 1.00 0.00 C ATOM 620 CG TYR A 46 -20.910 8.801 11.580 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.917 7.856 11.293 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.260 9.745 10.612 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.274 7.870 10.057 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.618 9.753 9.379 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.618 8.824 9.104 1.00 0.00 C ATOM 626 OH TYR A 46 -18.924 8.910 7.928 1.00 0.00 O ATOM 0 H TYR A 46 -23.982 9.271 12.415 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.446 6.806 12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -22.019 9.804 13.123 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.831 8.664 13.722 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.649 7.115 12.031 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -22.032 10.471 10.822 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.508 7.140 9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.896 10.482 8.632 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.218 8.231 7.915 1.00 0.00 H new ATOM 636 N SER A 47 -21.891 6.611 15.172 1.00 0.00 N ATOM 637 CA SER A 47 -21.717 6.402 16.634 1.00 0.00 C ATOM 638 C SER A 47 -21.141 7.658 17.363 1.00 0.00 C ATOM 639 O SER A 47 -20.277 8.366 16.830 1.00 0.00 O ATOM 640 CB SER A 47 -20.814 5.161 16.852 1.00 0.00 C ATOM 641 OG SER A 47 -19.453 5.375 16.464 1.00 0.00 O ATOM 0 H SER A 47 -21.189 6.139 14.602 1.00 0.00 H new ATOM 0 HA SER A 47 -22.699 6.233 17.076 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.844 4.879 17.904 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.218 4.322 16.285 1.00 0.00 H new ATOM 0 HG SER A 47 -18.858 5.094 17.190 1.00 0.00 H new ATOM 647 N ASP A 48 -21.577 7.901 18.614 1.00 0.00 N ATOM 648 CA ASP A 48 -20.993 8.974 19.477 1.00 0.00 C ATOM 649 C ASP A 48 -19.433 8.903 19.693 1.00 0.00 C ATOM 650 O ASP A 48 -18.816 9.952 19.493 1.00 0.00 O ATOM 651 CB ASP A 48 -21.784 9.112 20.805 1.00 0.00 C ATOM 652 CG ASP A 48 -23.206 9.650 20.650 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.239 11.008 20.557 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.202 8.938 20.606 1.00 0.00 O ATOM 0 H ASP A 48 -22.330 7.376 19.059 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.115 9.896 18.908 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.830 8.136 21.287 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.232 9.772 21.474 1.00 0.00 H new ATOM 659 N PRO A 49 -18.733 7.765 19.996 1.00 0.00 N ATOM 660 CA PRO A 49 -17.242 7.685 19.932 1.00 0.00 C ATOM 661 C PRO A 49 -16.508 8.026 18.599 1.00 0.00 C ATOM 662 O PRO A 49 -15.397 8.554 18.649 1.00 0.00 O ATOM 663 CB PRO A 49 -16.960 6.243 20.393 1.00 0.00 C ATOM 664 CG PRO A 49 -18.196 5.832 21.191 1.00 0.00 C ATOM 665 CD PRO A 49 -19.350 6.509 20.462 1.00 0.00 C ATOM 0 HA PRO A 49 -16.829 8.483 20.548 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.802 5.581 19.542 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.060 6.194 21.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.317 4.749 21.210 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.130 6.163 22.227 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.718 5.905 19.633 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.197 6.693 21.123 1.00 0.00 H new ATOM 673 N MET A 50 -17.114 7.759 17.427 1.00 0.00 N ATOM 674 CA MET A 50 -16.640 8.319 16.126 1.00 0.00 C ATOM 675 C MET A 50 -16.786 9.876 15.995 1.00 0.00 C ATOM 676 O MET A 50 -15.842 10.543 15.567 1.00 0.00 O ATOM 677 CB MET A 50 -17.363 7.539 14.993 1.00 0.00 C ATOM 678 CG MET A 50 -16.758 7.708 13.585 1.00 0.00 C ATOM 679 SD MET A 50 -15.157 6.888 13.456 1.00 0.00 S ATOM 680 CE MET A 50 -15.670 5.200 13.093 1.00 0.00 C ATOM 0 H MET A 50 -17.935 7.159 17.344 1.00 0.00 H new ATOM 0 HA MET A 50 -15.562 8.177 16.054 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.361 6.479 15.246 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.405 7.858 14.963 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.441 7.296 12.842 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.645 8.769 13.361 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.789 4.567 12.984 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.288 4.824 13.908 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.244 5.185 12.166 1.00 0.00 H new ATOM 690 N LYS A 51 -17.938 10.454 16.387 1.00 0.00 N ATOM 691 CA LYS A 51 -18.131 11.937 16.444 1.00 0.00 C ATOM 692 C LYS A 51 -17.280 12.676 17.532 1.00 0.00 C ATOM 693 O LYS A 51 -16.671 13.704 17.226 1.00 0.00 O ATOM 694 CB LYS A 51 -19.652 12.239 16.561 1.00 0.00 C ATOM 695 CG LYS A 51 -20.442 12.012 15.248 1.00 0.00 C ATOM 696 CD LYS A 51 -21.974 12.137 15.365 1.00 0.00 C ATOM 697 CE LYS A 51 -22.633 10.945 16.080 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.093 10.957 15.867 1.00 0.00 N ATOM 0 H LYS A 51 -18.760 9.922 16.673 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.742 12.350 15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.078 11.610 17.343 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.783 13.274 16.878 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.092 12.729 14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.204 11.018 14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.216 13.053 15.904 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.400 12.233 14.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.213 10.011 15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.415 10.988 17.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.419 9.995 15.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.567 11.293 16.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.323 11.592 15.076 1.00 0.00 H new ATOM 711 N ALA A 52 -17.184 12.146 18.766 1.00 0.00 N ATOM 712 CA ALA A 52 -16.216 12.631 19.789 1.00 0.00 C ATOM 713 C ALA A 52 -14.709 12.193 19.651 1.00 0.00 C ATOM 714 O ALA A 52 -13.931 12.418 20.582 1.00 0.00 O ATOM 715 CB ALA A 52 -16.826 12.183 21.134 1.00 0.00 C ATOM 0 H ALA A 52 -17.768 11.374 19.088 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.109 13.709 19.672 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.177 12.499 21.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.810 12.636 21.256 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.922 11.097 21.146 1.00 0.00 H new ATOM 721 N HIS A 53 -14.267 11.630 18.506 1.00 0.00 N ATOM 722 CA HIS A 53 -12.844 11.250 18.273 1.00 0.00 C ATOM 723 C HIS A 53 -11.885 12.469 18.044 1.00 0.00 C ATOM 724 O HIS A 53 -10.896 12.605 18.769 1.00 0.00 O ATOM 725 CB HIS A 53 -12.827 10.212 17.114 1.00 0.00 C ATOM 726 CG HIS A 53 -11.537 9.406 16.980 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.539 9.694 16.060 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.225 8.248 17.712 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.686 8.654 16.332 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.012 7.732 17.295 1.00 0.00 N ATOM 0 H HIS A 53 -14.878 11.424 17.716 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.435 10.800 19.178 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.656 9.519 17.257 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.008 10.736 16.176 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.843 7.822 18.488 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.758 8.561 15.788 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.506 6.905 17.612 1.00 0.00 H new ATOM 738 N GLY A 54 -12.166 13.336 17.049 1.00 0.00 N ATOM 739 CA GLY A 54 -11.319 14.521 16.750 1.00 0.00 C ATOM 740 C GLY A 54 -10.085 14.230 15.878 1.00 0.00 C ATOM 741 O GLY A 54 -8.985 14.015 16.390 1.00 0.00 O ATOM 0 H GLY A 54 -12.975 13.241 16.434 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.932 15.271 16.249 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.986 14.959 17.691 1.00 0.00 H new ATOM 745 N GLY A 55 -10.279 14.256 14.559 1.00 0.00 N ATOM 746 CA GLY A 55 -9.184 13.987 13.599 1.00 0.00 C ATOM 747 C GLY A 55 -9.593 13.891 12.113 1.00 0.00 C ATOM 748 O GLY A 55 -10.753 14.060 11.722 1.00 0.00 O ATOM 0 H GLY A 55 -11.178 14.459 14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.438 14.775 13.699 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.700 13.052 13.883 1.00 0.00 H new ATOM 752 N ASP A 56 -8.588 13.576 11.286 1.00 0.00 N ATOM 753 CA ASP A 56 -8.783 13.239 9.846 1.00 0.00 C ATOM 754 C ASP A 56 -8.112 11.866 9.520 1.00 0.00 C ATOM 755 O ASP A 56 -7.108 11.467 10.124 1.00 0.00 O ATOM 756 CB ASP A 56 -8.235 14.367 8.929 1.00 0.00 C ATOM 757 CG ASP A 56 -8.933 15.728 9.043 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.077 15.957 8.657 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.138 16.664 9.632 1.00 0.00 O ATOM 0 H ASP A 56 -7.613 13.544 11.583 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.852 13.153 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.177 14.505 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.304 14.032 7.894 1.00 0.00 H new ATOM 764 N TRP A 57 -8.666 11.143 8.533 1.00 0.00 N ATOM 765 CA TRP A 57 -8.243 9.754 8.203 1.00 0.00 C ATOM 766 C TRP A 57 -6.949 9.686 7.334 1.00 0.00 C ATOM 767 O TRP A 57 -6.965 9.366 6.144 1.00 0.00 O ATOM 768 CB TRP A 57 -9.452 9.011 7.563 1.00 0.00 C ATOM 769 CG TRP A 57 -10.506 8.459 8.530 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.874 8.795 8.519 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.349 7.560 9.575 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.578 8.124 9.535 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.614 7.379 10.186 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.196 6.930 10.117 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.730 6.612 11.367 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.334 6.179 11.282 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.579 6.037 11.908 1.00 0.00 C ATOM 0 H TRP A 57 -9.417 11.494 7.939 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.958 9.246 9.124 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.947 9.695 6.874 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.067 8.182 6.969 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.326 9.482 7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.575 8.176 9.744 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.234 7.031 9.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.690 6.473 11.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.467 5.698 11.710 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.650 5.472 12.826 1.00 0.00 H new ATOM 788 N THR A 58 -5.805 9.943 7.977 1.00 0.00 N ATOM 789 CA THR A 58 -4.452 9.832 7.356 1.00 0.00 C ATOM 790 C THR A 58 -4.037 8.346 7.032 1.00 0.00 C ATOM 791 O THR A 58 -4.573 7.432 7.671 1.00 0.00 O ATOM 792 CB THR A 58 -3.407 10.536 8.287 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.361 9.939 9.578 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.626 12.047 8.489 1.00 0.00 C ATOM 0 H THR A 58 -5.776 10.238 8.953 1.00 0.00 H new ATOM 0 HA THR A 58 -4.481 10.335 6.389 1.00 0.00 H new ATOM 0 HB THR A 58 -2.468 10.400 7.750 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.697 10.403 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.853 12.442 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.575 12.554 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.605 12.216 8.937 1.00 0.00 H new ATOM 802 N PRO A 59 -3.087 8.025 6.097 1.00 0.00 N ATOM 803 CA PRO A 59 -2.618 6.619 5.866 1.00 0.00 C ATOM 804 C PRO A 59 -2.154 5.794 7.112 1.00 0.00 C ATOM 805 O PRO A 59 -2.601 4.662 7.313 1.00 0.00 O ATOM 806 CB PRO A 59 -1.523 6.805 4.796 1.00 0.00 C ATOM 807 CG PRO A 59 -1.119 8.279 4.836 1.00 0.00 C ATOM 808 CD PRO A 59 -2.397 9.012 5.238 1.00 0.00 C ATOM 0 HA PRO A 59 -3.449 5.984 5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.667 6.163 5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.896 6.532 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.319 8.452 5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.755 8.618 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.181 9.935 5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.998 9.282 4.370 1.00 0.00 H new ATOM 816 N GLU A 60 -1.326 6.409 7.969 1.00 0.00 N ATOM 817 CA GLU A 60 -1.049 5.922 9.354 1.00 0.00 C ATOM 818 C GLU A 60 -2.293 5.638 10.275 1.00 0.00 C ATOM 819 O GLU A 60 -2.411 4.523 10.792 1.00 0.00 O ATOM 820 CB GLU A 60 0.058 6.792 10.013 1.00 0.00 C ATOM 821 CG GLU A 60 -0.297 8.270 10.315 1.00 0.00 C ATOM 822 CD GLU A 60 0.834 9.078 10.946 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.783 9.437 10.032 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.871 9.371 12.137 1.00 0.00 O ATOM 0 H GLU A 60 -0.821 7.263 7.732 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.669 4.907 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.351 6.316 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.932 6.780 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.598 8.755 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.159 8.294 10.982 1.00 0.00 H new ATOM 831 N ALA A 61 -3.233 6.593 10.435 1.00 0.00 N ATOM 832 CA ALA A 61 -4.509 6.365 11.170 1.00 0.00 C ATOM 833 C ALA A 61 -5.486 5.309 10.551 1.00 0.00 C ATOM 834 O ALA A 61 -6.007 4.465 11.286 1.00 0.00 O ATOM 835 CB ALA A 61 -5.183 7.739 11.345 1.00 0.00 C ATOM 0 H ALA A 61 -3.137 7.538 10.064 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.256 5.907 12.126 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.124 7.617 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.525 8.397 11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.377 8.177 10.366 1.00 0.00 H new ATOM 841 N LEU A 62 -5.701 5.316 9.219 1.00 0.00 N ATOM 842 CA LEU A 62 -6.415 4.222 8.501 1.00 0.00 C ATOM 843 C LEU A 62 -5.762 2.812 8.628 1.00 0.00 C ATOM 844 O LEU A 62 -6.483 1.874 8.963 1.00 0.00 O ATOM 845 CB LEU A 62 -6.621 4.600 7.005 1.00 0.00 C ATOM 846 CG LEU A 62 -7.721 5.647 6.705 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.594 6.149 5.260 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.142 5.089 6.913 1.00 0.00 C ATOM 0 H LEU A 62 -5.390 6.071 8.608 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.379 4.131 9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.676 4.976 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.855 3.690 6.452 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.573 6.465 7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.373 6.885 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.616 6.609 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.703 5.310 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.874 5.865 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.300 4.239 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.259 4.768 7.948 1.00 0.00 H new ATOM 860 N GLN A 63 -4.442 2.626 8.413 1.00 0.00 N ATOM 861 CA GLN A 63 -3.776 1.310 8.663 1.00 0.00 C ATOM 862 C GLN A 63 -3.804 0.786 10.149 1.00 0.00 C ATOM 863 O GLN A 63 -3.965 -0.418 10.368 1.00 0.00 O ATOM 864 CB GLN A 63 -2.397 1.270 7.942 1.00 0.00 C ATOM 865 CG GLN A 63 -1.171 1.882 8.666 1.00 0.00 C ATOM 866 CD GLN A 63 -0.480 0.984 9.704 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.421 -0.239 9.594 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.083 1.561 10.737 1.00 0.00 N ATOM 0 H GLN A 63 -3.815 3.354 8.071 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.398 0.543 8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.167 0.227 7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.507 1.781 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.435 2.166 7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.489 2.799 9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.041 2.575 10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.563 0.996 11.438 1.00 0.00 H new ATOM 877 N GLU A 64 -3.720 1.674 11.160 1.00 0.00 N ATOM 878 CA GLU A 64 -4.085 1.350 12.573 1.00 0.00 C ATOM 879 C GLU A 64 -5.583 0.923 12.771 1.00 0.00 C ATOM 880 O GLU A 64 -5.837 -0.173 13.279 1.00 0.00 O ATOM 881 CB GLU A 64 -3.701 2.552 13.483 1.00 0.00 C ATOM 882 CG GLU A 64 -2.184 2.819 13.644 1.00 0.00 C ATOM 883 CD GLU A 64 -1.874 4.097 14.419 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.780 3.880 15.760 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.727 5.196 13.894 1.00 0.00 O ATOM 0 H GLU A 64 -3.400 2.634 11.032 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.515 0.467 12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.168 3.451 13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.128 2.386 14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.726 1.972 14.155 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.726 2.881 12.657 1.00 0.00 H new ATOM 892 N PHE A 65 -6.567 1.747 12.350 1.00 0.00 N ATOM 893 CA PHE A 65 -8.013 1.381 12.366 1.00 0.00 C ATOM 894 C PHE A 65 -8.409 0.114 11.536 1.00 0.00 C ATOM 895 O PHE A 65 -9.189 -0.699 12.020 1.00 0.00 O ATOM 896 CB PHE A 65 -8.775 2.666 11.945 1.00 0.00 C ATOM 897 CG PHE A 65 -10.311 2.574 11.952 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.033 2.702 13.144 1.00 0.00 C ATOM 899 CD2 PHE A 65 -10.998 2.348 10.756 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.423 2.603 13.137 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.385 2.245 10.756 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.099 2.375 11.942 1.00 0.00 C ATOM 0 H PHE A 65 -6.389 2.684 11.989 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.291 1.055 13.368 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.477 3.476 12.611 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.452 2.943 10.941 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.511 2.878 14.073 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.451 2.253 9.830 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.976 2.703 14.059 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.910 2.063 9.830 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.176 2.299 11.936 1.00 0.00 H new ATOM 912 N LEU A 66 -7.879 -0.094 10.323 1.00 0.00 N ATOM 913 CA LEU A 66 -8.049 -1.379 9.584 1.00 0.00 C ATOM 914 C LEU A 66 -7.216 -2.596 10.120 1.00 0.00 C ATOM 915 O LEU A 66 -7.512 -3.725 9.731 1.00 0.00 O ATOM 916 CB LEU A 66 -7.806 -1.133 8.068 1.00 0.00 C ATOM 917 CG LEU A 66 -8.677 -0.057 7.359 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.260 0.083 5.888 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.185 -0.339 7.463 1.00 0.00 C ATOM 0 H LEU A 66 -7.327 0.603 9.822 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.078 -1.692 9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.760 -0.856 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.953 -2.079 7.547 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.498 0.883 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.878 0.840 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.213 0.381 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.392 -0.872 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.738 0.447 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.408 -1.301 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.479 -0.363 8.512 1.00 0.00 H new ATOM 931 N THR A 67 -6.238 -2.413 11.031 1.00 0.00 N ATOM 932 CA THR A 67 -5.691 -3.519 11.875 1.00 0.00 C ATOM 933 C THR A 67 -6.697 -3.954 13.001 1.00 0.00 C ATOM 934 O THR A 67 -7.051 -5.134 13.050 1.00 0.00 O ATOM 935 CB THR A 67 -4.275 -3.151 12.426 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.414 -2.689 11.390 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.536 -4.341 13.059 1.00 0.00 C ATOM 0 H THR A 67 -5.803 -1.508 11.209 1.00 0.00 H new ATOM 0 HA THR A 67 -5.565 -4.397 11.241 1.00 0.00 H new ATOM 0 HB THR A 67 -4.476 -2.384 13.174 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.829 -1.927 10.935 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.561 -4.014 13.420 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.120 -4.730 13.893 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.402 -5.125 12.313 1.00 0.00 H new ATOM 945 N ASN A 68 -7.157 -3.039 13.884 1.00 0.00 N ATOM 946 CA ASN A 68 -8.264 -3.322 14.843 1.00 0.00 C ATOM 947 C ASN A 68 -9.186 -2.052 14.967 1.00 0.00 C ATOM 948 O ASN A 68 -8.785 -1.102 15.657 1.00 0.00 O ATOM 949 CB ASN A 68 -7.683 -3.796 16.205 1.00 0.00 C ATOM 950 CG ASN A 68 -8.718 -4.315 17.220 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.829 -3.813 17.362 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.381 -5.318 17.993 1.00 0.00 N ATOM 0 H ASN A 68 -6.781 -2.094 13.957 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.888 -4.136 14.476 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.957 -4.587 16.016 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.140 -2.966 16.658 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.036 -5.665 18.693 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.463 -5.752 17.894 1.00 0.00 H new ATOM 959 N PRO A 69 -10.420 -1.987 14.381 1.00 0.00 N ATOM 960 CA PRO A 69 -11.285 -0.777 14.491 1.00 0.00 C ATOM 961 C PRO A 69 -11.989 -0.520 15.860 1.00 0.00 C ATOM 962 O PRO A 69 -12.158 0.641 16.243 1.00 0.00 O ATOM 963 CB PRO A 69 -12.238 -0.917 13.291 1.00 0.00 C ATOM 964 CG PRO A 69 -12.217 -2.383 12.865 1.00 0.00 C ATOM 965 CD PRO A 69 -10.918 -2.982 13.408 1.00 0.00 C ATOM 0 HA PRO A 69 -10.682 0.130 14.462 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.248 -0.610 13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.920 -0.274 12.471 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.083 -2.913 13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.259 -2.471 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.096 -3.946 13.884 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.196 -3.150 12.609 1.00 0.00 H new ATOM 973 N LYS A 70 -12.351 -1.581 16.602 1.00 0.00 N ATOM 974 CA LYS A 70 -12.853 -1.479 18.004 1.00 0.00 C ATOM 975 C LYS A 70 -11.832 -0.953 19.067 1.00 0.00 C ATOM 976 O LYS A 70 -12.224 -0.222 19.978 1.00 0.00 O ATOM 977 CB LYS A 70 -13.469 -2.836 18.451 1.00 0.00 C ATOM 978 CG LYS A 70 -14.712 -3.360 17.684 1.00 0.00 C ATOM 979 CD LYS A 70 -14.385 -4.239 16.454 1.00 0.00 C ATOM 980 CE LYS A 70 -15.609 -4.898 15.797 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.115 -6.047 16.573 1.00 0.00 N ATOM 0 H LYS A 70 -12.308 -2.539 16.256 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.616 -0.701 17.969 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.690 -3.595 18.382 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.738 -2.750 19.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.331 -3.936 18.372 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.307 -2.507 17.357 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.876 -3.626 15.711 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.687 -5.019 16.756 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.402 -4.158 15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.344 -5.230 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.940 -6.457 16.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.369 -6.767 16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.394 -5.729 17.523 1.00 0.00 H new ATOM 994 N ALA A 71 -10.543 -1.303 18.950 1.00 0.00 N ATOM 995 CA ALA A 71 -9.453 -0.660 19.734 1.00 0.00 C ATOM 996 C ALA A 71 -9.166 0.845 19.403 1.00 0.00 C ATOM 997 O ALA A 71 -9.015 1.645 20.329 1.00 0.00 O ATOM 998 CB ALA A 71 -8.203 -1.545 19.571 1.00 0.00 C ATOM 0 H ALA A 71 -10.218 -2.033 18.317 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.776 -0.603 20.773 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.375 -1.111 20.131 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.413 -2.545 19.950 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.935 -1.606 18.516 1.00 0.00 H new ATOM 1004 N VAL A 72 -9.095 1.237 18.114 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.850 2.658 17.701 1.00 0.00 C ATOM 1006 C VAL A 72 -10.089 3.603 17.914 1.00 0.00 C ATOM 1007 O VAL A 72 -9.904 4.707 18.436 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.230 2.701 16.258 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.012 4.129 15.697 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.861 1.984 16.168 1.00 0.00 C ATOM 0 H VAL A 72 -9.203 0.595 17.329 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.109 3.083 18.377 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.984 2.186 15.662 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.581 4.066 14.698 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.968 4.650 15.648 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.333 4.677 16.351 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.483 2.047 15.147 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.155 2.462 16.847 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.980 0.937 16.447 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.318 3.211 17.518 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.560 3.965 17.872 1.00 0.00 C ATOM 1022 C VAL A 73 -13.369 3.068 18.869 1.00 0.00 C ATOM 1023 O VAL A 73 -14.091 2.148 18.466 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.368 4.399 16.600 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.641 5.202 16.955 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.564 5.269 15.601 1.00 0.00 C ATOM 0 H VAL A 73 -11.487 2.379 16.953 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.322 4.911 18.358 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.618 3.447 16.131 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.164 5.478 16.039 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.295 4.591 17.576 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.362 6.104 17.500 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.196 5.525 14.751 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.235 6.182 16.097 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.694 4.712 15.252 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.242 3.349 20.179 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.840 2.505 21.253 1.00 0.00 C ATOM 1038 C LYS A 74 -15.385 2.710 21.414 1.00 0.00 C ATOM 1039 O LYS A 74 -15.868 3.713 21.943 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.997 2.668 22.548 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.150 4.011 23.293 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.024 4.288 24.311 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.185 5.600 25.100 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.913 6.786 24.260 1.00 0.00 N ATOM 0 H LYS A 74 -12.729 4.158 20.530 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.784 1.454 20.970 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.262 1.863 23.234 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.946 2.535 22.292 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.175 4.820 22.563 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.108 4.021 23.813 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.977 3.458 25.016 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.071 4.311 23.782 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.198 5.662 25.498 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.507 5.596 25.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.032 7.649 24.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.938 6.740 23.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.577 6.804 23.460 1.00 0.00 H new ATOM 1057 N GLY A 75 -16.145 1.739 20.897 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.616 1.875 20.689 1.00 0.00 C ATOM 1059 C GLY A 75 -18.099 2.321 19.285 1.00 0.00 C ATOM 1060 O GLY A 75 -19.071 3.073 19.185 1.00 0.00 O ATOM 0 H GLY A 75 -15.773 0.835 20.607 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -18.079 0.914 20.915 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.995 2.591 21.419 1.00 0.00 H new ATOM 1064 N THR A 76 -17.473 1.810 18.213 1.00 0.00 N ATOM 1065 CA THR A 76 -17.940 2.005 16.808 1.00 0.00 C ATOM 1066 C THR A 76 -19.050 0.986 16.372 1.00 0.00 C ATOM 1067 O THR A 76 -19.064 -0.172 16.801 1.00 0.00 O ATOM 1068 CB THR A 76 -16.699 1.998 15.854 1.00 0.00 C ATOM 1069 OG1 THR A 76 -17.098 2.327 14.529 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.883 0.695 15.741 1.00 0.00 C ATOM 0 H THR A 76 -16.626 1.247 18.284 1.00 0.00 H new ATOM 0 HA THR A 76 -18.432 2.975 16.742 1.00 0.00 H new ATOM 0 HB THR A 76 -16.046 2.730 16.329 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.314 2.322 13.941 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.057 0.842 15.046 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.489 0.426 16.721 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.526 -0.106 15.376 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.931 1.391 15.434 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.799 0.424 14.680 1.00 0.00 C ATOM 1080 C LYS A 77 -20.073 -0.526 13.654 1.00 0.00 C ATOM 1081 O LYS A 77 -20.713 -1.452 13.146 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.934 1.167 13.915 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.918 2.027 14.734 1.00 0.00 C ATOM 1084 CD LYS A 77 -24.010 2.658 13.840 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.798 3.802 14.493 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.695 3.329 15.568 1.00 0.00 N ATOM 0 H LYS A 77 -20.070 2.367 15.173 1.00 0.00 H new ATOM 0 HA LYS A 77 -21.183 -0.217 15.473 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.468 1.812 13.170 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.515 0.421 13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -23.387 1.411 15.501 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.370 2.816 15.249 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.542 3.032 12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.710 1.878 13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.100 4.533 14.902 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.387 4.314 13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.204 4.139 15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.380 2.652 15.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.133 2.863 16.309 1.00 0.00 H new ATOM 1099 N MET A 78 -18.784 -0.311 13.315 1.00 0.00 N ATOM 1100 CA MET A 78 -18.065 -1.124 12.303 1.00 0.00 C ATOM 1101 C MET A 78 -17.723 -2.561 12.815 1.00 0.00 C ATOM 1102 O MET A 78 -16.761 -2.764 13.562 1.00 0.00 O ATOM 1103 CB MET A 78 -16.830 -0.320 11.810 1.00 0.00 C ATOM 1104 CG MET A 78 -16.036 -1.057 10.713 1.00 0.00 C ATOM 1105 SD MET A 78 -15.330 0.058 9.438 1.00 0.00 S ATOM 1106 CE MET A 78 -13.668 -0.717 9.441 1.00 0.00 C ATOM 0 H MET A 78 -18.213 0.425 13.730 1.00 0.00 H new ATOM 0 HA MET A 78 -18.718 -1.304 11.449 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.160 0.645 11.427 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.172 -0.119 12.655 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.227 -1.620 11.179 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.690 -1.781 10.228 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.026 -0.204 8.725 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.233 -0.641 10.437 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.756 -1.767 9.163 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.492 -3.557 12.342 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.231 -4.989 12.635 1.00 0.00 C ATOM 1118 C ALA A 79 -17.176 -5.595 11.653 1.00 0.00 C ATOM 1119 O ALA A 79 -17.496 -6.269 10.669 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.599 -5.700 12.624 1.00 0.00 C ATOM 0 H ALA A 79 -19.308 -3.401 11.750 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.774 -5.125 13.615 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.460 -6.760 12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.244 -5.260 13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.062 -5.583 11.644 1.00 0.00 H new ATOM 1126 N PHE A 80 -15.898 -5.315 11.946 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.744 -5.750 11.124 1.00 0.00 C ATOM 1128 C PHE A 80 -13.587 -6.174 12.083 1.00 0.00 C ATOM 1129 O PHE A 80 -13.208 -5.434 12.997 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.363 -4.587 10.161 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.282 -4.946 9.130 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.617 -5.728 8.020 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -11.949 -4.569 9.328 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.628 -6.153 7.139 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -10.963 -4.987 8.439 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.299 -5.795 7.356 1.00 0.00 C ATOM 0 H PHE A 80 -15.627 -4.775 12.768 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.977 -6.616 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.259 -4.261 9.632 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.016 -3.740 10.753 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.647 -6.003 7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.684 -3.952 10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.890 -6.761 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.937 -4.685 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.529 -6.144 6.684 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.005 -7.362 11.854 1.00 0.00 N ATOM 1147 CA ALA A 81 -11.865 -7.864 12.665 1.00 0.00 C ATOM 1148 C ALA A 81 -10.495 -7.197 12.317 1.00 0.00 C ATOM 1149 O ALA A 81 -9.924 -6.517 13.175 1.00 0.00 O ATOM 1150 CB ALA A 81 -11.874 -9.404 12.560 1.00 0.00 C ATOM 0 H ALA A 81 -13.300 -8.000 11.115 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.994 -7.573 13.708 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.049 -9.813 13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.818 -9.789 12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.761 -9.698 11.517 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.977 -7.372 11.086 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.685 -6.762 10.688 1.00 0.00 C ATOM 1158 C GLY A 82 -8.121 -7.185 9.312 1.00 0.00 C ATOM 1159 O GLY A 82 -8.363 -8.285 8.807 1.00 0.00 O ATOM 0 H GLY A 82 -10.424 -7.924 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.803 -5.678 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.944 -7.003 11.450 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.282 -6.302 8.755 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.362 -6.624 7.631 1.00 0.00 C ATOM 1165 C LEU A 83 -4.927 -6.892 8.228 1.00 0.00 C ATOM 1166 O LEU A 83 -4.208 -5.913 8.479 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.336 -5.440 6.616 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.603 -5.115 5.785 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.366 -3.854 4.935 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.025 -6.261 4.852 1.00 0.00 C ATOM 0 H LEU A 83 -7.214 -5.333 9.067 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.702 -7.512 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.071 -4.540 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.525 -5.631 5.913 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.407 -4.958 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.262 -3.633 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.140 -3.012 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.528 -4.023 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.918 -5.970 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.218 -6.476 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.239 -7.151 5.443 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.447 -8.149 8.487 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.146 -8.387 9.187 1.00 0.00 C ATOM 1184 C PRO A 84 -1.829 -8.028 8.421 1.00 0.00 C ATOM 1185 O PRO A 84 -0.900 -7.493 9.035 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.258 -9.870 9.594 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.217 -10.498 8.580 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.226 -9.388 8.282 1.00 0.00 C ATOM 0 HA PRO A 84 -3.025 -7.697 10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.284 -10.359 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.639 -9.971 10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.693 -10.813 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.706 -11.382 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.610 -9.457 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.086 -9.437 8.951 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.753 -8.271 7.101 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.614 -7.839 6.252 1.00 0.00 C ATOM 1198 C LYS A 85 -0.745 -6.334 5.871 1.00 0.00 C ATOM 1199 O LYS A 85 -1.722 -5.905 5.245 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.568 -8.720 4.973 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.252 -10.219 5.193 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.273 -11.088 3.914 1.00 0.00 C ATOM 1203 CE LYS A 85 0.861 -10.840 2.898 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.529 -9.753 1.953 1.00 0.00 N ATOM 0 H LYS A 85 -2.477 -8.772 6.586 1.00 0.00 H new ATOM 0 HA LYS A 85 0.313 -7.961 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.531 -8.642 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.181 -8.306 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.732 -10.303 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.973 -10.626 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.241 -12.136 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.226 -10.929 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.778 -10.589 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.057 -11.757 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.385 -9.201 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.156 -10.161 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.188 -9.131 2.377 1.00 0.00 H new ATOM 1217 N ILE A 86 0.292 -5.548 6.198 1.00 0.00 N ATOM 1218 CA ILE A 86 0.435 -4.138 5.715 1.00 0.00 C ATOM 1219 C ILE A 86 0.411 -3.914 4.162 1.00 0.00 C ATOM 1220 O ILE A 86 -0.090 -2.880 3.718 1.00 0.00 O ATOM 1221 CB ILE A 86 1.644 -3.445 6.412 1.00 0.00 C ATOM 1222 CG1 ILE A 86 1.601 -1.896 6.232 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.020 -4.030 5.994 1.00 0.00 C ATOM 1224 CD1 ILE A 86 2.078 -1.106 7.451 1.00 0.00 C ATOM 0 H ILE A 86 1.057 -5.855 6.799 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.489 -3.646 6.020 1.00 0.00 H new ATOM 0 HB ILE A 86 1.538 -3.664 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.217 -1.625 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.579 -1.598 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.815 -3.500 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.059 -5.088 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.154 -3.913 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.015 -0.038 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.448 -1.344 8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.111 -1.371 7.675 1.00 0.00 H new ATOM 1236 N GLU A 87 0.892 -4.877 3.349 1.00 0.00 N ATOM 1237 CA GLU A 87 0.671 -4.891 1.874 1.00 0.00 C ATOM 1238 C GLU A 87 -0.831 -4.760 1.450 1.00 0.00 C ATOM 1239 O GLU A 87 -1.159 -3.846 0.697 1.00 0.00 O ATOM 1240 CB GLU A 87 1.323 -6.154 1.245 1.00 0.00 C ATOM 1241 CG GLU A 87 2.850 -6.338 1.452 1.00 0.00 C ATOM 1242 CD GLU A 87 3.456 -7.551 0.737 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.825 -8.563 0.438 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.789 -7.380 0.494 1.00 0.00 O ATOM 0 H GLU A 87 1.443 -5.666 3.687 1.00 0.00 H new ATOM 0 HA GLU A 87 1.157 -3.997 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.819 -7.032 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.126 -6.138 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.360 -5.439 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.049 -6.427 2.520 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.748 -5.584 2.003 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.222 -5.363 1.875 1.00 0.00 C ATOM 1253 C ASP A 88 -3.758 -3.976 2.384 1.00 0.00 C ATOM 1254 O ASP A 88 -4.612 -3.376 1.726 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.966 -6.542 2.566 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.800 -7.922 1.917 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.573 -8.094 0.722 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -3.947 -8.933 2.824 1.00 0.00 O ATOM 0 H ASP A 88 -1.502 -6.412 2.545 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.430 -5.334 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.622 -6.606 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.029 -6.304 2.598 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.238 -3.457 3.515 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.547 -2.083 4.017 1.00 0.00 C ATOM 1265 C ARG A 89 -3.092 -0.931 3.057 1.00 0.00 C ATOM 1266 O ARG A 89 -3.937 -0.159 2.597 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.003 -1.899 5.471 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.409 -2.997 6.491 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.411 -2.604 7.976 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.035 -2.483 8.536 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.374 -3.444 9.179 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.767 -4.688 9.241 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.274 -3.115 9.783 1.00 0.00 N ATOM 0 H ARG A 89 -2.591 -3.971 4.113 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.633 -1.998 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.915 -1.855 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.347 -0.936 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.408 -3.347 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.733 -3.843 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.934 -1.655 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.967 -3.349 8.545 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.559 -1.589 8.417 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.630 -4.974 8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.211 -5.374 9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.055 -2.150 9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.262 -3.821 10.287 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.791 -0.844 2.714 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.275 0.088 1.674 1.00 0.00 C ATOM 1289 C ALA A 90 -1.858 -0.057 0.224 1.00 0.00 C ATOM 1290 O ALA A 90 -2.156 0.964 -0.402 1.00 0.00 O ATOM 1291 CB ALA A 90 0.258 -0.042 1.718 1.00 0.00 C ATOM 0 H ALA A 90 -1.064 -1.414 3.146 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.622 1.091 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.701 0.620 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.618 0.233 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.542 -1.072 1.502 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.087 -1.286 -0.287 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.873 -1.529 -1.535 1.00 0.00 C ATOM 1299 C ASN A 91 -4.334 -0.957 -1.510 1.00 0.00 C ATOM 1300 O ASN A 91 -4.710 -0.221 -2.427 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.871 -3.052 -1.859 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.557 -3.684 -2.338 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -1.449 -4.989 -2.283 1.00 0.00 O flip ATOM 1304 ND2 ASN A 91 -0.625 -3.040 -2.801 1.00 0.00 N flip ATOM 0 H ASN A 91 -1.737 -2.141 0.146 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.374 -0.972 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.191 -3.585 -0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.627 -3.232 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.685 -2.023 -2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.211 -3.520 -3.133 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.143 -1.251 -0.468 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.471 -0.597 -0.264 1.00 0.00 C ATOM 1313 C LEU A 92 -6.438 0.962 -0.101 1.00 0.00 C ATOM 1314 O LEU A 92 -7.250 1.650 -0.722 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.196 -1.328 0.901 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.717 -1.025 1.027 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.510 -2.248 1.501 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.997 0.129 1.998 1.00 0.00 C ATOM 0 H LEU A 92 -4.906 -1.936 0.249 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.041 -0.708 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.065 -2.402 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.709 -1.058 1.838 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.040 -0.745 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.567 -1.990 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.384 -3.062 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.144 -2.562 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.071 0.305 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.619 -0.128 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.500 1.032 1.643 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.504 1.521 0.690 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.270 2.997 0.801 1.00 0.00 C ATOM 1332 C ILE A 93 -4.892 3.680 -0.570 1.00 0.00 C ATOM 1333 O ILE A 93 -5.499 4.698 -0.914 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.286 3.233 2.007 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.933 2.844 3.380 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.719 4.675 2.093 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -3.970 2.728 4.574 1.00 0.00 C ATOM 0 H ILE A 93 -4.880 0.970 1.279 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.196 3.523 1.032 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.446 2.570 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.693 3.586 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.446 1.890 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.051 4.753 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.167 4.904 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.540 5.383 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.530 2.454 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.223 1.962 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.474 3.685 4.735 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.979 3.100 -1.380 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.828 3.454 -2.822 1.00 0.00 C ATOM 1351 C ALA A 94 -5.124 3.405 -3.699 1.00 0.00 C ATOM 1352 O ALA A 94 -5.384 4.352 -4.448 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.725 2.545 -3.397 1.00 0.00 C ATOM 0 H ALA A 94 -3.329 2.380 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.566 4.511 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.581 2.771 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.793 2.719 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.019 1.501 -3.286 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.952 2.343 -3.593 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.302 2.302 -4.228 1.00 0.00 C ATOM 1361 C TYR A 95 -8.302 3.405 -3.732 1.00 0.00 C ATOM 1362 O TYR A 95 -8.912 4.061 -4.572 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.846 0.850 -4.109 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.191 0.578 -4.804 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.296 0.653 -6.198 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.334 0.305 -4.044 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.533 0.498 -6.818 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.567 0.133 -4.670 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.667 0.244 -6.053 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.899 0.219 -6.650 1.00 0.00 O ATOM 0 H TYR A 95 -5.715 1.497 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.196 2.564 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -7.102 0.169 -4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.950 0.607 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.414 0.832 -6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.260 0.227 -2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.612 0.575 -7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.445 -0.087 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.094 1.099 -7.036 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.439 3.653 -2.416 1.00 0.00 N ATOM 1381 CA LEU A 96 -9.180 4.836 -1.877 1.00 0.00 C ATOM 1382 C LEU A 96 -8.702 6.247 -2.380 1.00 0.00 C ATOM 1383 O LEU A 96 -9.542 7.086 -2.715 1.00 0.00 O ATOM 1384 CB LEU A 96 -9.161 4.768 -0.324 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.902 3.595 0.371 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.560 3.589 1.871 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.426 3.661 0.167 1.00 0.00 C ATOM 0 H LEU A 96 -8.047 3.051 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.192 4.757 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.119 4.738 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.583 5.699 0.055 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.563 2.667 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.080 2.765 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.485 3.465 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.872 4.532 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.898 2.818 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.809 4.594 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.653 3.618 -0.898 1.00 0.00 H new ATOM 1399 N GLU A 97 -7.380 6.498 -2.486 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.821 7.667 -3.236 1.00 0.00 C ATOM 1401 C GLU A 97 -7.203 7.736 -4.758 1.00 0.00 C ATOM 1402 O GLU A 97 -7.621 8.801 -5.218 1.00 0.00 O ATOM 1403 CB GLU A 97 -5.277 7.691 -3.033 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.802 8.050 -1.603 1.00 0.00 C ATOM 1405 CD GLU A 97 -3.299 7.902 -1.381 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.595 8.927 -1.943 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.796 6.972 -0.757 1.00 0.00 O ATOM 0 H GLU A 97 -6.666 5.907 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.285 8.560 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.878 6.711 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.846 8.408 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.089 9.079 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.327 7.415 -0.889 1.00 0.00 H new ATOM 1414 N GLY A 98 -7.120 6.627 -5.524 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.733 6.546 -6.886 1.00 0.00 C ATOM 1416 C GLY A 98 -9.274 6.385 -7.041 1.00 0.00 C ATOM 1417 O GLY A 98 -9.737 6.147 -8.159 1.00 0.00 O ATOM 0 H GLY A 98 -6.640 5.776 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.446 7.450 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.266 5.706 -7.401 1.00 0.00 H new ATOM 1421 N GLN A 99 -10.066 6.519 -5.967 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.557 6.510 -6.013 1.00 0.00 C ATOM 1423 C GLN A 99 -12.061 7.724 -5.166 1.00 0.00 C ATOM 1424 O GLN A 99 -12.488 7.591 -4.012 1.00 0.00 O ATOM 1425 CB GLN A 99 -12.094 5.152 -5.487 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.664 3.859 -6.231 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.338 3.535 -7.566 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.156 2.624 -7.674 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.960 4.200 -8.631 1.00 0.00 N ATOM 0 H GLN A 99 -9.696 6.639 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.928 6.614 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.790 5.054 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.183 5.197 -5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.590 3.917 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.833 3.017 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.281 4.957 -8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.345 3.961 -9.545 1.00 0.00 H new