USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 909 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 8 TYR OH : rot 45:sc= 0.562 USER MOD Set 1.2: A 10 ASN :FLIP amide:sc= -12.2! C(o=-15!,f=-12!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= -0.079 (180deg=-0.519) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 52:sc= 0.24! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -3.96 K(o=-4,f=-4.6!) USER MOD Single : A 19 ASN :FLIP amide:sc= -4.61! C(o=-6.5!,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= -2.91 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 179:sc= -0.0593 (180deg=-0.0645) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 40:sc= -1.36 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00111) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=-0.13) USER MOD Single : A 48 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.45) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0455) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 61 ASN : amide:sc= -3.62 K(o=-3.6,f=-13!) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.992 F(o=-2.7!,f=-0.99) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 81:sc= 0.546 USER MOD Single : A 72 HIS : no HD1:sc= -7.08! C(o=-7.1!,f=-6.7!) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.313 (180deg=-1.43!) USER MOD Single : A 76 ASN : amide:sc= -1.93 X(o=-1.9,f=-2.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -3.26! USER MOD Single : A 91 THR OG1 : rot 120:sc= 0.624 USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 130:sc= -1.44 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -12.918 -16.655 3.811 1.00 0.00 N ATOM 2 CA GLU A 1 -12.345 -16.841 2.452 1.00 0.00 C ATOM 3 C GLU A 1 -12.884 -15.797 1.479 1.00 0.00 C ATOM 4 O GLU A 1 -13.950 -15.975 0.890 1.00 0.00 O ATOM 5 CB GLU A 1 -12.697 -18.248 1.963 1.00 0.00 C ATOM 6 CG GLU A 1 -11.644 -19.290 2.302 1.00 0.00 C ATOM 7 CD GLU A 1 -10.778 -19.653 1.112 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.290 -19.618 -0.027 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.588 -19.972 1.318 1.00 0.00 O ATOM 0 H1 GLU A 1 -12.534 -17.379 4.452 1.00 0.00 H new ATOM 0 H2 GLU A 1 -12.668 -15.710 4.167 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.953 -16.746 3.767 1.00 0.00 H new ATOM 0 HA GLU A 1 -11.263 -16.718 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.648 -18.549 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -12.838 -18.224 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -11.011 -18.913 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.135 -20.188 2.677 1.00 0.00 H new ATOM 18 N ASP A 2 -12.138 -14.708 1.315 1.00 0.00 N ATOM 19 CA ASP A 2 -12.536 -13.630 0.413 1.00 0.00 C ATOM 20 C ASP A 2 -13.756 -12.890 0.952 1.00 0.00 C ATOM 21 O ASP A 2 -13.670 -11.719 1.318 1.00 0.00 O ATOM 22 CB ASP A 2 -12.834 -14.181 -0.983 1.00 0.00 C ATOM 23 CG ASP A 2 -11.752 -15.122 -1.476 1.00 0.00 C ATOM 24 OD1 ASP A 2 -10.579 -14.699 -1.535 1.00 0.00 O ATOM 25 OD2 ASP A 2 -12.079 -16.283 -1.804 1.00 0.00 O ATOM 0 H ASP A 2 -11.253 -14.548 1.796 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.707 -12.926 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.789 -14.706 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.938 -13.352 -1.683 1.00 0.00 H new ATOM 30 N LYS A 3 -14.892 -13.584 0.994 1.00 0.00 N ATOM 31 CA LYS A 3 -16.141 -13.003 1.486 1.00 0.00 C ATOM 32 C LYS A 3 -16.372 -11.608 0.907 1.00 0.00 C ATOM 33 O LYS A 3 -15.681 -11.187 -0.021 1.00 0.00 O ATOM 34 CB LYS A 3 -16.142 -12.951 3.018 1.00 0.00 C ATOM 35 CG LYS A 3 -15.183 -11.928 3.609 1.00 0.00 C ATOM 36 CD LYS A 3 -13.830 -12.547 3.922 1.00 0.00 C ATOM 37 CE LYS A 3 -13.679 -12.837 5.407 1.00 0.00 C ATOM 38 NZ LYS A 3 -13.693 -11.589 6.220 1.00 0.00 N ATOM 0 H LYS A 3 -14.974 -14.555 0.692 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.959 -13.643 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.152 -12.727 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.886 -13.938 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.053 -11.103 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.612 -11.509 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.712 -13.471 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.037 -11.872 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.487 -13.492 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.745 -13.372 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.157 -11.741 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.257 -10.816 5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.675 -11.337 6.453 1.00 0.00 H new ATOM 52 N TYR A 4 -17.352 -10.897 1.458 1.00 0.00 N ATOM 53 CA TYR A 4 -17.674 -9.553 0.993 1.00 0.00 C ATOM 54 C TYR A 4 -17.289 -8.508 2.030 1.00 0.00 C ATOM 55 O TYR A 4 -16.907 -7.389 1.690 1.00 0.00 O ATOM 56 CB TYR A 4 -19.166 -9.444 0.677 1.00 0.00 C ATOM 57 CG TYR A 4 -19.518 -8.249 -0.179 1.00 0.00 C ATOM 58 CD1 TYR A 4 -18.877 -8.024 -1.391 1.00 0.00 C ATOM 59 CD2 TYR A 4 -20.491 -7.343 0.225 1.00 0.00 C ATOM 60 CE1 TYR A 4 -19.196 -6.932 -2.176 1.00 0.00 C ATOM 61 CE2 TYR A 4 -20.815 -6.249 -0.554 1.00 0.00 C ATOM 62 CZ TYR A 4 -20.165 -6.048 -1.753 1.00 0.00 C ATOM 63 OH TYR A 4 -20.485 -4.959 -2.531 1.00 0.00 O ATOM 0 H TYR A 4 -17.936 -11.229 2.226 1.00 0.00 H new ATOM 0 HA TYR A 4 -17.100 -9.366 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -19.488 -10.352 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -19.724 -9.388 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -18.117 -8.714 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -21.003 -7.497 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.689 -6.772 -3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -21.574 -5.555 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 4 -21.187 -4.437 -2.090 1.00 0.00 H new ATOM 73 N THR A 5 -17.395 -8.890 3.298 1.00 0.00 N ATOM 74 CA THR A 5 -17.062 -8.003 4.413 1.00 0.00 C ATOM 75 C THR A 5 -17.620 -6.597 4.189 1.00 0.00 C ATOM 76 O THR A 5 -18.450 -6.383 3.305 1.00 0.00 O ATOM 77 CB THR A 5 -15.544 -7.948 4.607 1.00 0.00 C ATOM 78 OG1 THR A 5 -15.201 -7.081 5.673 1.00 0.00 O ATOM 79 CG2 THR A 5 -14.800 -7.482 3.376 1.00 0.00 C ATOM 0 H THR A 5 -17.712 -9.817 3.584 1.00 0.00 H new ATOM 0 HA THR A 5 -17.522 -8.406 5.315 1.00 0.00 H new ATOM 0 HB THR A 5 -15.246 -8.974 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.713 -7.326 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.730 -7.466 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 5 -15.000 -8.164 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.133 -6.479 3.108 1.00 0.00 H new ATOM 87 N ASP A 6 -17.161 -5.643 4.992 1.00 0.00 N ATOM 88 CA ASP A 6 -17.616 -4.264 4.873 1.00 0.00 C ATOM 89 C ASP A 6 -17.257 -3.698 3.503 1.00 0.00 C ATOM 90 O ASP A 6 -16.188 -3.990 2.965 1.00 0.00 O ATOM 91 CB ASP A 6 -16.996 -3.401 5.973 1.00 0.00 C ATOM 92 CG ASP A 6 -17.143 -4.024 7.348 1.00 0.00 C ATOM 93 OD1 ASP A 6 -18.210 -3.840 7.971 1.00 0.00 O ATOM 94 OD2 ASP A 6 -16.193 -4.696 7.800 1.00 0.00 O ATOM 0 H ASP A 6 -16.475 -5.800 5.731 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.700 -4.251 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.939 -3.247 5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.468 -2.419 5.970 1.00 0.00 H new ATOM 99 N LYS A 7 -18.151 -2.878 2.951 1.00 0.00 N ATOM 100 CA LYS A 7 -17.940 -2.258 1.653 1.00 0.00 C ATOM 101 C LYS A 7 -17.286 -3.229 0.665 1.00 0.00 C ATOM 102 O LYS A 7 -17.361 -4.445 0.842 1.00 0.00 O ATOM 103 CB LYS A 7 -17.088 -1.010 1.834 1.00 0.00 C ATOM 104 CG LYS A 7 -17.633 -0.048 2.877 1.00 0.00 C ATOM 105 CD LYS A 7 -18.919 0.614 2.406 1.00 0.00 C ATOM 106 CE LYS A 7 -18.660 2.010 1.863 1.00 0.00 C ATOM 107 NZ LYS A 7 -19.830 2.909 2.065 1.00 0.00 N ATOM 0 H LYS A 7 -19.036 -2.629 3.392 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.907 -1.982 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.079 -1.307 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.010 -0.491 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.818 -0.585 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.887 0.717 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -19.383 0.002 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -19.625 0.670 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.786 2.435 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -18.428 1.949 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.614 3.851 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.658 2.517 1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.036 2.988 3.081 1.00 0.00 H new ATOM 121 N TYR A 8 -16.646 -2.693 -0.370 1.00 0.00 N ATOM 122 CA TYR A 8 -15.988 -3.511 -1.366 1.00 0.00 C ATOM 123 C TYR A 8 -14.859 -4.319 -0.731 1.00 0.00 C ATOM 124 O TYR A 8 -14.882 -4.599 0.468 1.00 0.00 O ATOM 125 CB TYR A 8 -15.457 -2.616 -2.493 1.00 0.00 C ATOM 126 CG TYR A 8 -14.256 -1.778 -2.103 1.00 0.00 C ATOM 127 CD1 TYR A 8 -14.403 -0.644 -1.312 1.00 0.00 C ATOM 128 CD2 TYR A 8 -12.978 -2.121 -2.525 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.310 0.122 -0.954 1.00 0.00 C ATOM 130 CE2 TYR A 8 -11.880 -1.360 -2.170 1.00 0.00 C ATOM 131 CZ TYR A 8 -12.052 -0.240 -1.385 1.00 0.00 C ATOM 132 OH TYR A 8 -10.962 0.521 -1.031 1.00 0.00 O ATOM 0 H TYR A 8 -16.573 -1.689 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.706 -4.216 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.189 -3.242 -3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.257 -1.954 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -15.387 -0.357 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.840 -2.997 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.441 1.000 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.893 -1.641 -2.506 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.018 0.750 -0.080 1.00 0.00 H new ATOM 142 N ASP A 9 -13.878 -4.688 -1.539 1.00 0.00 N ATOM 143 CA ASP A 9 -12.739 -5.463 -1.059 1.00 0.00 C ATOM 144 C ASP A 9 -11.698 -4.554 -0.413 1.00 0.00 C ATOM 145 O ASP A 9 -10.935 -3.879 -1.104 1.00 0.00 O ATOM 146 CB ASP A 9 -12.105 -6.245 -2.211 1.00 0.00 C ATOM 147 CG ASP A 9 -11.513 -7.565 -1.757 1.00 0.00 C ATOM 148 OD1 ASP A 9 -10.656 -7.550 -0.849 1.00 0.00 O ATOM 149 OD2 ASP A 9 -11.906 -8.613 -2.311 1.00 0.00 O ATOM 0 H ASP A 9 -13.845 -4.464 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.100 -6.166 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.857 -6.432 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.325 -5.639 -2.672 1.00 0.00 H new ATOM 154 N ASN A 10 -11.674 -4.540 0.916 1.00 0.00 N ATOM 155 CA ASN A 10 -10.727 -3.712 1.653 1.00 0.00 C ATOM 156 C ASN A 10 -10.500 -4.262 3.059 1.00 0.00 C ATOM 157 O ASN A 10 -11.452 -4.555 3.782 1.00 0.00 O ATOM 158 CB ASN A 10 -11.237 -2.270 1.730 1.00 0.00 C ATOM 159 CG ASN A 10 -10.269 -1.280 1.111 1.00 0.00 C ATOM 160 OD1 ASN A 10 -10.435 -0.005 1.442 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -9.383 -1.657 0.345 1.00 0.00 N flip ATOM 0 H ASN A 10 -12.299 -5.092 1.504 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.775 -3.727 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.199 -2.200 1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.408 -2.003 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.292 -2.647 0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.739 -0.979 -0.063 1.00 0.00 H new ATOM 168 N ILE A 11 -9.234 -4.396 3.439 1.00 0.00 N ATOM 169 CA ILE A 11 -8.882 -4.907 4.759 1.00 0.00 C ATOM 170 C ILE A 11 -8.694 -3.767 5.753 1.00 0.00 C ATOM 171 O ILE A 11 -7.587 -3.263 5.934 1.00 0.00 O ATOM 172 CB ILE A 11 -7.602 -5.762 4.729 1.00 0.00 C ATOM 173 CG1 ILE A 11 -7.348 -6.328 3.329 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.698 -6.887 5.749 1.00 0.00 C ATOM 175 CD1 ILE A 11 -6.436 -5.465 2.485 1.00 0.00 C ATOM 0 H ILE A 11 -8.435 -4.158 2.852 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.712 -5.539 5.076 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.759 -5.122 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.911 -7.322 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.302 -6.446 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.787 -7.485 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.821 -6.464 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.555 -7.519 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.300 -5.927 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.881 -4.478 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.469 -5.368 2.978 1.00 0.00 H new ATOM 187 N ASN A 12 -9.789 -3.360 6.391 1.00 0.00 N ATOM 188 CA ASN A 12 -9.762 -2.273 7.370 1.00 0.00 C ATOM 189 C ASN A 12 -8.909 -1.099 6.891 1.00 0.00 C ATOM 190 O ASN A 12 -8.380 -0.336 7.696 1.00 0.00 O ATOM 191 CB ASN A 12 -9.239 -2.783 8.714 1.00 0.00 C ATOM 192 CG ASN A 12 -9.724 -1.943 9.880 1.00 0.00 C ATOM 193 OD1 ASN A 12 -10.549 -1.045 9.712 1.00 0.00 O ATOM 194 ND2 ASN A 12 -9.213 -2.232 11.071 1.00 0.00 N ATOM 0 H ASN A 12 -10.712 -3.769 6.247 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.785 -1.916 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.558 -3.816 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.149 -2.785 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.502 -1.701 11.892 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.531 -2.985 11.164 1.00 0.00 H new ATOM 201 N LEU A 13 -8.795 -0.957 5.575 1.00 0.00 N ATOM 202 CA LEU A 13 -8.017 0.116 4.948 1.00 0.00 C ATOM 203 C LEU A 13 -8.074 1.434 5.722 1.00 0.00 C ATOM 204 O LEU A 13 -7.191 2.280 5.582 1.00 0.00 O ATOM 205 CB LEU A 13 -8.525 0.336 3.524 1.00 0.00 C ATOM 206 CG LEU A 13 -7.453 0.745 2.519 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.257 -0.339 1.469 1.00 0.00 C ATOM 208 CD2 LEU A 13 -7.813 2.071 1.862 1.00 0.00 C ATOM 0 H LEU A 13 -9.241 -1.584 4.906 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.974 -0.201 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.998 -0.582 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.297 1.105 3.543 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.513 0.872 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.488 -0.026 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.949 -1.265 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.194 -0.503 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.036 2.346 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.766 1.972 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.895 2.845 2.625 1.00 0.00 H new ATOM 220 N ASP A 14 -9.101 1.603 6.539 1.00 0.00 N ATOM 221 CA ASP A 14 -9.262 2.793 7.328 1.00 0.00 C ATOM 222 C ASP A 14 -8.196 2.864 8.411 1.00 0.00 C ATOM 223 O ASP A 14 -7.440 3.831 8.497 1.00 0.00 O ATOM 224 CB ASP A 14 -10.651 2.780 7.951 1.00 0.00 C ATOM 225 CG ASP A 14 -11.033 1.435 8.541 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.088 0.446 7.780 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.277 1.371 9.765 1.00 0.00 O ATOM 0 H ASP A 14 -9.842 0.913 6.667 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.151 3.671 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.698 3.538 8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.384 3.058 7.193 1.00 0.00 H new ATOM 232 N GLU A 15 -8.147 1.827 9.234 1.00 0.00 N ATOM 233 CA GLU A 15 -7.184 1.749 10.324 1.00 0.00 C ATOM 234 C GLU A 15 -5.749 1.893 9.820 1.00 0.00 C ATOM 235 O GLU A 15 -4.879 2.370 10.548 1.00 0.00 O ATOM 236 CB GLU A 15 -7.343 0.423 11.072 1.00 0.00 C ATOM 237 CG GLU A 15 -7.394 0.580 12.582 1.00 0.00 C ATOM 238 CD GLU A 15 -6.682 -0.545 13.309 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.700 -1.685 12.800 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.107 -0.284 14.387 1.00 0.00 O ATOM 0 H GLU A 15 -8.768 1.021 9.167 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.385 2.577 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.256 -0.068 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.513 -0.234 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.941 1.532 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.434 0.616 12.905 1.00 0.00 H new ATOM 247 N ILE A 16 -5.498 1.478 8.579 1.00 0.00 N ATOM 248 CA ILE A 16 -4.156 1.569 8.017 1.00 0.00 C ATOM 249 C ILE A 16 -3.849 2.977 7.514 1.00 0.00 C ATOM 250 O ILE A 16 -2.685 3.349 7.366 1.00 0.00 O ATOM 251 CB ILE A 16 -3.950 0.570 6.865 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.438 -0.820 7.275 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.483 0.529 6.464 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.506 -1.801 6.125 1.00 0.00 C ATOM 0 H ILE A 16 -6.198 1.081 7.952 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.471 1.322 8.828 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.534 0.897 6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.774 -1.218 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.427 -0.731 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.349 -0.181 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.167 1.520 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.881 0.219 7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.860 -2.765 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.193 -1.426 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.514 -1.920 5.689 1.00 0.00 H new ATOM 266 N LEU A 17 -4.892 3.757 7.253 1.00 0.00 N ATOM 267 CA LEU A 17 -4.720 5.121 6.770 1.00 0.00 C ATOM 268 C LEU A 17 -5.267 6.132 7.782 1.00 0.00 C ATOM 269 O LEU A 17 -5.279 7.336 7.528 1.00 0.00 O ATOM 270 CB LEU A 17 -5.413 5.280 5.410 1.00 0.00 C ATOM 271 CG LEU A 17 -5.625 6.718 4.936 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.319 7.496 4.976 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.213 6.734 3.534 1.00 0.00 C ATOM 0 H LEU A 17 -5.864 3.468 7.368 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.655 5.319 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.824 4.753 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.384 4.786 5.458 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.330 7.201 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.493 8.516 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.938 7.515 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.589 7.015 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.358 7.765 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.531 6.232 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.172 6.217 3.536 1.00 0.00 H new ATOM 285 N ALA A 18 -5.716 5.635 8.931 1.00 0.00 N ATOM 286 CA ALA A 18 -6.260 6.491 9.974 1.00 0.00 C ATOM 287 C ALA A 18 -5.179 7.371 10.589 1.00 0.00 C ATOM 288 O ALA A 18 -5.428 8.530 10.924 1.00 0.00 O ATOM 289 CB ALA A 18 -6.932 5.649 11.048 1.00 0.00 C ATOM 0 H ALA A 18 -5.713 4.641 9.161 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.004 7.145 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.335 6.301 11.823 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.742 5.071 10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.201 4.971 11.489 1.00 0.00 H new ATOM 295 N ASN A 19 -3.979 6.819 10.743 1.00 0.00 N ATOM 296 CA ASN A 19 -2.872 7.569 11.328 1.00 0.00 C ATOM 297 C ASN A 19 -1.530 6.895 11.067 1.00 0.00 C ATOM 298 O ASN A 19 -1.453 5.680 10.864 1.00 0.00 O ATOM 299 CB ASN A 19 -3.070 7.741 12.834 1.00 0.00 C ATOM 300 CG ASN A 19 -3.919 6.641 13.449 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.707 5.409 12.999 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.753 6.897 14.318 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.749 5.863 10.473 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.863 8.548 10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.096 7.758 13.324 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.540 8.706 13.026 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.882 7.858 14.634 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.315 6.148 14.722 1.00 0.00 H new ATOM 309 N LYS A 20 -0.473 7.701 11.083 1.00 0.00 N ATOM 310 CA LYS A 20 0.879 7.210 10.853 1.00 0.00 C ATOM 311 C LYS A 20 1.224 6.055 11.788 1.00 0.00 C ATOM 312 O LYS A 20 2.082 5.239 11.474 1.00 0.00 O ATOM 313 CB LYS A 20 1.894 8.349 11.011 1.00 0.00 C ATOM 314 CG LYS A 20 2.188 8.728 12.456 1.00 0.00 C ATOM 315 CD LYS A 20 0.975 9.341 13.138 1.00 0.00 C ATOM 316 CE LYS A 20 0.546 10.631 12.460 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.641 11.239 13.122 1.00 0.00 N ATOM 0 H LYS A 20 -0.529 8.705 11.254 1.00 0.00 H new ATOM 0 HA LYS A 20 0.926 6.833 9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.826 8.059 10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.521 9.228 10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.505 7.842 13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.017 9.435 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.150 8.629 13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.206 9.539 14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.373 11.341 12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.315 10.432 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.902 12.117 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.438 10.572 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.414 11.453 14.114 1.00 0.00 H new ATOM 331 N ARG A 21 0.556 5.983 12.932 1.00 0.00 N ATOM 332 CA ARG A 21 0.819 4.911 13.886 1.00 0.00 C ATOM 333 C ARG A 21 0.602 3.543 13.242 1.00 0.00 C ATOM 334 O ARG A 21 1.355 2.602 13.495 1.00 0.00 O ATOM 335 CB ARG A 21 -0.067 5.058 15.126 1.00 0.00 C ATOM 336 CG ARG A 21 -1.545 5.194 14.809 1.00 0.00 C ATOM 337 CD ARG A 21 -2.407 4.840 16.010 1.00 0.00 C ATOM 338 NE ARG A 21 -1.927 5.474 17.235 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.142 6.751 17.543 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.828 7.533 16.718 1.00 0.00 N ATOM 341 NH2 ARG A 21 -1.671 7.248 18.678 1.00 0.00 N ATOM 0 H ARG A 21 -0.164 6.645 13.221 1.00 0.00 H new ATOM 0 HA ARG A 21 1.862 4.986 14.193 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.079 4.191 15.770 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.256 5.933 15.691 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.758 6.216 14.495 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.800 4.544 13.972 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.435 5.148 15.821 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.418 3.758 16.142 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.396 4.905 17.894 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.193 7.156 15.843 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.990 8.511 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.144 6.652 19.316 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.836 8.227 18.914 1.00 0.00 H new ATOM 355 N LEU A 22 -0.423 3.438 12.398 1.00 0.00 N ATOM 356 CA LEU A 22 -0.718 2.182 11.721 1.00 0.00 C ATOM 357 C LEU A 22 -0.077 2.158 10.343 1.00 0.00 C ATOM 358 O LEU A 22 0.515 1.158 9.936 1.00 0.00 O ATOM 359 CB LEU A 22 -2.230 1.977 11.606 1.00 0.00 C ATOM 360 CG LEU A 22 -2.859 1.151 12.730 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.292 2.053 13.875 1.00 0.00 C ATOM 362 CD2 LEU A 22 -4.040 0.349 12.204 1.00 0.00 C ATOM 0 H LEU A 22 -1.058 4.203 12.169 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.301 1.367 12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.713 2.954 11.580 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.444 1.490 10.655 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.111 0.454 13.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.737 1.449 14.666 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.425 2.583 14.268 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.025 2.774 13.513 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.476 -0.233 13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.791 1.029 11.801 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.701 -0.324 11.417 1.00 0.00 H new ATOM 374 N LEU A 23 -0.188 3.273 9.635 1.00 0.00 N ATOM 375 CA LEU A 23 0.392 3.397 8.307 1.00 0.00 C ATOM 376 C LEU A 23 1.894 3.121 8.368 1.00 0.00 C ATOM 377 O LEU A 23 2.456 2.443 7.503 1.00 0.00 O ATOM 378 CB LEU A 23 0.091 4.801 7.754 1.00 0.00 C ATOM 379 CG LEU A 23 1.220 5.501 6.989 1.00 0.00 C ATOM 380 CD1 LEU A 23 0.655 6.646 6.164 1.00 0.00 C ATOM 381 CD2 LEU A 23 2.284 6.017 7.948 1.00 0.00 C ATOM 0 H LEU A 23 -0.676 4.107 9.960 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.049 2.663 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.772 4.727 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.200 5.439 8.588 1.00 0.00 H new ATOM 0 HG LEU A 23 1.686 4.777 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.463 7.138 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.073 6.257 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.169 7.365 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.075 6.510 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.835 6.729 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.705 5.182 8.508 1.00 0.00 H new ATOM 393 N VAL A 24 2.531 3.634 9.416 1.00 0.00 N ATOM 394 CA VAL A 24 3.956 3.440 9.615 1.00 0.00 C ATOM 395 C VAL A 24 4.228 2.030 10.120 1.00 0.00 C ATOM 396 O VAL A 24 5.161 1.372 9.667 1.00 0.00 O ATOM 397 CB VAL A 24 4.541 4.474 10.603 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.961 4.102 11.008 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.507 5.867 9.995 1.00 0.00 C ATOM 0 H VAL A 24 2.077 4.189 10.141 1.00 0.00 H new ATOM 0 HA VAL A 24 4.446 3.583 8.652 1.00 0.00 H new ATOM 0 HB VAL A 24 3.924 4.471 11.501 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.348 4.847 11.704 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.958 3.124 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.595 4.069 10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.922 6.584 10.704 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.097 5.879 9.079 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.477 6.139 9.766 1.00 0.00 H new ATOM 409 N ALA A 25 3.399 1.566 11.052 1.00 0.00 N ATOM 410 CA ALA A 25 3.555 0.225 11.594 1.00 0.00 C ATOM 411 C ALA A 25 3.540 -0.797 10.469 1.00 0.00 C ATOM 412 O ALA A 25 4.404 -1.671 10.395 1.00 0.00 O ATOM 413 CB ALA A 25 2.462 -0.073 12.610 1.00 0.00 C ATOM 0 H ALA A 25 2.620 2.096 11.443 1.00 0.00 H new ATOM 0 HA ALA A 25 4.515 0.163 12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.596 -1.081 13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.519 0.646 13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.487 0.001 12.128 1.00 0.00 H new ATOM 419 N TYR A 26 2.569 -0.660 9.575 1.00 0.00 N ATOM 420 CA TYR A 26 2.465 -1.553 8.432 1.00 0.00 C ATOM 421 C TYR A 26 3.688 -1.380 7.547 1.00 0.00 C ATOM 422 O TYR A 26 4.360 -2.349 7.194 1.00 0.00 O ATOM 423 CB TYR A 26 1.196 -1.266 7.632 1.00 0.00 C ATOM 424 CG TYR A 26 0.875 -2.334 6.610 1.00 0.00 C ATOM 425 CD1 TYR A 26 0.991 -3.682 6.924 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.462 -1.992 5.329 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.705 -4.659 5.989 1.00 0.00 C ATOM 428 CE2 TYR A 26 0.172 -2.962 4.390 1.00 0.00 C ATOM 429 CZ TYR A 26 0.295 -4.293 4.724 1.00 0.00 C ATOM 430 OH TYR A 26 0.009 -5.262 3.791 1.00 0.00 O ATOM 0 H TYR A 26 1.846 0.058 9.620 1.00 0.00 H new ATOM 0 HA TYR A 26 2.414 -2.581 8.791 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.356 -1.168 8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.305 -0.308 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.310 -3.971 7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.366 -0.950 5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.802 -5.703 6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.150 -2.679 3.399 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.678 -4.931 3.175 1.00 0.00 H new ATOM 440 N VAL A 27 3.988 -0.127 7.212 1.00 0.00 N ATOM 441 CA VAL A 27 5.153 0.172 6.391 1.00 0.00 C ATOM 442 C VAL A 27 6.404 -0.424 7.027 1.00 0.00 C ATOM 443 O VAL A 27 7.282 -0.937 6.334 1.00 0.00 O ATOM 444 CB VAL A 27 5.340 1.693 6.205 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.669 1.999 5.529 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.184 2.276 5.408 1.00 0.00 C ATOM 0 H VAL A 27 3.445 0.689 7.494 1.00 0.00 H new ATOM 0 HA VAL A 27 4.991 -0.272 5.409 1.00 0.00 H new ATOM 0 HB VAL A 27 5.350 2.159 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.777 3.077 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.486 1.619 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.698 1.521 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.331 3.349 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.142 1.801 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.249 2.096 5.938 1.00 0.00 H new ATOM 456 N ASN A 28 6.466 -0.371 8.355 1.00 0.00 N ATOM 457 CA ASN A 28 7.596 -0.925 9.083 1.00 0.00 C ATOM 458 C ASN A 28 7.579 -2.442 8.977 1.00 0.00 C ATOM 459 O ASN A 28 8.627 -3.087 8.925 1.00 0.00 O ATOM 460 CB ASN A 28 7.553 -0.497 10.551 1.00 0.00 C ATOM 461 CG ASN A 28 8.343 0.772 10.807 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.198 1.762 10.090 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.185 0.747 11.833 1.00 0.00 N ATOM 0 H ASN A 28 5.747 0.049 8.944 1.00 0.00 H new ATOM 0 HA ASN A 28 8.518 -0.545 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.517 -0.343 10.852 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.949 -1.300 11.172 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.744 1.571 12.054 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.273 -0.096 12.400 1.00 0.00 H new ATOM 470 N CYS A 29 6.375 -3.006 8.929 1.00 0.00 N ATOM 471 CA CYS A 29 6.208 -4.436 8.810 1.00 0.00 C ATOM 472 C CYS A 29 6.709 -4.909 7.453 1.00 0.00 C ATOM 473 O CYS A 29 7.254 -6.006 7.327 1.00 0.00 O ATOM 474 CB CYS A 29 4.736 -4.799 8.991 1.00 0.00 C ATOM 475 SG CYS A 29 4.080 -4.548 10.679 1.00 0.00 S ATOM 0 H CYS A 29 5.500 -2.483 8.972 1.00 0.00 H new ATOM 0 HA CYS A 29 6.791 -4.932 9.586 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.143 -4.206 8.295 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.599 -5.845 8.716 1.00 0.00 H new ATOM 480 N VAL A 30 6.534 -4.065 6.440 1.00 0.00 N ATOM 481 CA VAL A 30 6.983 -4.391 5.093 1.00 0.00 C ATOM 482 C VAL A 30 8.490 -4.640 5.073 1.00 0.00 C ATOM 483 O VAL A 30 8.999 -5.358 4.212 1.00 0.00 O ATOM 484 CB VAL A 30 6.644 -3.265 4.096 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.003 -3.678 2.677 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.172 -2.891 4.193 1.00 0.00 C ATOM 0 H VAL A 30 6.086 -3.153 6.527 1.00 0.00 H new ATOM 0 HA VAL A 30 6.458 -5.297 4.790 1.00 0.00 H new ATOM 0 HB VAL A 30 7.237 -2.388 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.756 -2.869 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.071 -3.890 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.440 -4.571 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.951 -2.095 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.559 -3.763 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.950 -2.547 5.203 1.00 0.00 H new ATOM 496 N MET A 31 9.198 -4.041 6.030 1.00 0.00 N ATOM 497 CA MET A 31 10.645 -4.199 6.124 1.00 0.00 C ATOM 498 C MET A 31 11.022 -5.491 6.852 1.00 0.00 C ATOM 499 O MET A 31 12.202 -5.811 6.984 1.00 0.00 O ATOM 500 CB MET A 31 11.262 -2.999 6.845 1.00 0.00 C ATOM 501 CG MET A 31 11.298 -1.735 6.001 1.00 0.00 C ATOM 502 SD MET A 31 12.239 -0.408 6.778 1.00 0.00 S ATOM 503 CE MET A 31 13.417 -0.025 5.484 1.00 0.00 C ATOM 0 H MET A 31 8.792 -3.443 6.749 1.00 0.00 H new ATOM 0 HA MET A 31 11.039 -4.255 5.109 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.696 -2.802 7.755 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.278 -3.252 7.150 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.735 -1.964 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.279 -1.394 5.820 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.061 0.793 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.026 -0.905 5.274 1.00 0.00 H new ATOM 0 HE3 MET A 31 12.882 0.270 4.581 1.00 0.00 H new ATOM 513 N GLU A 32 10.014 -6.226 7.326 1.00 0.00 N ATOM 514 CA GLU A 32 10.236 -7.483 8.042 1.00 0.00 C ATOM 515 C GLU A 32 11.326 -7.336 9.100 1.00 0.00 C ATOM 516 O GLU A 32 12.239 -8.156 9.188 1.00 0.00 O ATOM 517 CB GLU A 32 10.585 -8.611 7.062 1.00 0.00 C ATOM 518 CG GLU A 32 11.945 -8.463 6.395 1.00 0.00 C ATOM 519 CD GLU A 32 11.868 -7.732 5.069 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.813 -7.816 4.406 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.863 -7.077 4.693 1.00 0.00 O ATOM 0 H GLU A 32 9.032 -5.970 7.226 1.00 0.00 H new ATOM 0 HA GLU A 32 9.308 -7.741 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.556 -9.561 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.817 -8.656 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.617 -7.925 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.377 -9.451 6.236 1.00 0.00 H new ATOM 528 N ARG A 33 11.216 -6.285 9.903 1.00 0.00 N ATOM 529 CA ARG A 33 12.186 -6.025 10.961 1.00 0.00 C ATOM 530 C ARG A 33 12.014 -7.009 12.116 1.00 0.00 C ATOM 531 O ARG A 33 12.990 -7.425 12.739 1.00 0.00 O ATOM 532 CB ARG A 33 12.042 -4.592 11.473 1.00 0.00 C ATOM 533 CG ARG A 33 12.542 -3.544 10.496 1.00 0.00 C ATOM 534 CD ARG A 33 14.045 -3.347 10.610 1.00 0.00 C ATOM 535 NE ARG A 33 14.774 -4.087 9.584 1.00 0.00 N ATOM 536 CZ ARG A 33 14.906 -3.676 8.325 1.00 0.00 C ATOM 537 NH1 ARG A 33 14.360 -2.531 7.933 1.00 0.00 N ATOM 538 NH2 ARG A 33 15.586 -4.410 7.455 1.00 0.00 N ATOM 0 H ARG A 33 10.464 -5.598 9.842 1.00 0.00 H new ATOM 0 HA ARG A 33 13.184 -6.156 10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.993 -4.398 11.695 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.590 -4.493 12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.290 -3.844 9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.035 -2.598 10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.279 -2.286 10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.379 -3.670 11.596 1.00 0.00 H new ATOM 0 HE ARG A 33 15.208 -4.972 9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.836 -1.962 8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.464 -2.221 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.008 -5.290 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.687 -4.094 6.490 1.00 0.00 H new ATOM 552 N GLY A 34 10.767 -7.375 12.395 1.00 0.00 N ATOM 553 CA GLY A 34 10.490 -8.306 13.475 1.00 0.00 C ATOM 554 C GLY A 34 9.157 -8.036 14.146 1.00 0.00 C ATOM 555 O GLY A 34 8.810 -6.886 14.410 1.00 0.00 O ATOM 0 H GLY A 34 9.943 -7.044 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.497 -9.324 13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.286 -8.244 14.217 1.00 0.00 H new ATOM 559 N LYS A 35 8.405 -9.102 14.420 1.00 0.00 N ATOM 560 CA LYS A 35 7.097 -8.974 15.061 1.00 0.00 C ATOM 561 C LYS A 35 6.248 -7.922 14.357 1.00 0.00 C ATOM 562 O LYS A 35 5.393 -7.283 14.969 1.00 0.00 O ATOM 563 CB LYS A 35 7.261 -8.612 16.538 1.00 0.00 C ATOM 564 CG LYS A 35 7.428 -9.820 17.446 1.00 0.00 C ATOM 565 CD LYS A 35 6.091 -10.297 17.990 1.00 0.00 C ATOM 566 CE LYS A 35 5.559 -11.481 17.200 1.00 0.00 C ATOM 567 NZ LYS A 35 4.848 -12.457 18.072 1.00 0.00 N ATOM 0 H LYS A 35 8.679 -10.062 14.209 1.00 0.00 H new ATOM 0 HA LYS A 35 6.588 -9.935 14.986 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.128 -7.961 16.650 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.391 -8.042 16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.906 -10.629 16.893 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.089 -9.565 18.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.202 -10.578 19.037 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.370 -9.480 17.954 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.880 -11.125 16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.385 -11.981 16.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.501 -13.249 17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.502 -12.817 18.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.044 -11.987 18.535 1.00 0.00 H new ATOM 581 N CYS A 36 6.495 -7.752 13.064 1.00 0.00 N ATOM 582 CA CYS A 36 5.764 -6.786 12.261 1.00 0.00 C ATOM 583 C CYS A 36 5.348 -7.411 10.935 1.00 0.00 C ATOM 584 O CYS A 36 4.167 -7.434 10.590 1.00 0.00 O ATOM 585 CB CYS A 36 6.628 -5.546 12.019 1.00 0.00 C ATOM 586 SG CYS A 36 5.688 -4.000 11.795 1.00 0.00 S ATOM 0 H CYS A 36 7.202 -8.276 12.548 1.00 0.00 H new ATOM 0 HA CYS A 36 4.865 -6.486 12.799 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.309 -5.423 12.861 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.242 -5.714 11.134 1.00 0.00 H new ATOM 591 N SER A 37 6.327 -7.932 10.200 1.00 0.00 N ATOM 592 CA SER A 37 6.064 -8.573 8.915 1.00 0.00 C ATOM 593 C SER A 37 4.932 -9.592 9.038 1.00 0.00 C ATOM 594 O SER A 37 3.906 -9.471 8.369 1.00 0.00 O ATOM 595 CB SER A 37 7.330 -9.256 8.392 1.00 0.00 C ATOM 596 OG SER A 37 7.782 -8.645 7.196 1.00 0.00 O ATOM 0 H SER A 37 7.310 -7.923 10.473 1.00 0.00 H new ATOM 0 HA SER A 37 5.759 -7.802 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.113 -9.205 9.148 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.129 -10.312 8.211 1.00 0.00 H new ATOM 0 HG SER A 37 7.683 -7.673 7.268 1.00 0.00 H new ATOM 602 N PRO A 38 5.098 -10.612 9.902 1.00 0.00 N ATOM 603 CA PRO A 38 4.078 -11.642 10.107 1.00 0.00 C ATOM 604 C PRO A 38 2.721 -11.038 10.450 1.00 0.00 C ATOM 605 O PRO A 38 1.695 -11.444 9.906 1.00 0.00 O ATOM 606 CB PRO A 38 4.614 -12.472 11.284 1.00 0.00 C ATOM 607 CG PRO A 38 5.723 -11.665 11.871 1.00 0.00 C ATOM 608 CD PRO A 38 6.279 -10.841 10.747 1.00 0.00 C ATOM 0 HA PRO A 38 3.914 -12.234 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.832 -12.658 12.020 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.973 -13.445 10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.357 -11.029 12.677 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.491 -12.310 12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.709 -9.905 11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.066 -11.369 10.209 1.00 0.00 H new ATOM 616 N GLU A 39 2.724 -10.057 11.350 1.00 0.00 N ATOM 617 CA GLU A 39 1.489 -9.392 11.756 1.00 0.00 C ATOM 618 C GLU A 39 0.752 -8.834 10.541 1.00 0.00 C ATOM 619 O GLU A 39 -0.373 -9.237 10.246 1.00 0.00 O ATOM 620 CB GLU A 39 1.793 -8.265 12.746 1.00 0.00 C ATOM 621 CG GLU A 39 2.534 -8.728 13.988 1.00 0.00 C ATOM 622 CD GLU A 39 1.668 -9.566 14.908 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.597 -10.027 14.460 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.060 -9.761 16.077 1.00 0.00 O ATOM 0 H GLU A 39 3.564 -9.706 11.810 1.00 0.00 H new ATOM 0 HA GLU A 39 0.849 -10.128 12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.386 -7.502 12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.857 -7.795 13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.407 -9.308 13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.900 -7.858 14.533 1.00 0.00 H new ATOM 631 N GLY A 40 1.399 -7.911 9.836 1.00 0.00 N ATOM 632 CA GLY A 40 0.797 -7.319 8.654 1.00 0.00 C ATOM 633 C GLY A 40 0.778 -8.274 7.472 1.00 0.00 C ATOM 634 O GLY A 40 0.176 -7.979 6.439 1.00 0.00 O ATOM 0 H GLY A 40 2.330 -7.562 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.223 -7.011 8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.348 -6.419 8.381 1.00 0.00 H new ATOM 638 N LYS A 41 1.449 -9.415 7.620 1.00 0.00 N ATOM 639 CA LYS A 41 1.525 -10.415 6.565 1.00 0.00 C ATOM 640 C LYS A 41 0.165 -10.670 5.922 1.00 0.00 C ATOM 641 O LYS A 41 0.080 -10.954 4.728 1.00 0.00 O ATOM 642 CB LYS A 41 2.092 -11.724 7.117 1.00 0.00 C ATOM 643 CG LYS A 41 2.415 -12.749 6.042 1.00 0.00 C ATOM 644 CD LYS A 41 1.275 -13.736 5.854 1.00 0.00 C ATOM 645 CE LYS A 41 1.361 -14.882 6.849 1.00 0.00 C ATOM 646 NZ LYS A 41 2.375 -15.895 6.444 1.00 0.00 N ATOM 0 H LYS A 41 1.951 -9.668 8.471 1.00 0.00 H new ATOM 0 HA LYS A 41 2.190 -10.025 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.997 -11.507 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.374 -12.155 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.615 -12.239 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.323 -13.288 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.322 -13.220 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.299 -14.132 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.614 -14.489 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.385 -15.360 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.391 -16.668 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.130 -16.276 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.313 -15.449 6.401 1.00 0.00 H new ATOM 660 N GLU A 42 -0.895 -10.569 6.713 1.00 0.00 N ATOM 661 CA GLU A 42 -2.241 -10.792 6.201 1.00 0.00 C ATOM 662 C GLU A 42 -2.610 -9.719 5.186 1.00 0.00 C ATOM 663 O GLU A 42 -3.128 -10.019 4.111 1.00 0.00 O ATOM 664 CB GLU A 42 -3.255 -10.805 7.346 1.00 0.00 C ATOM 665 CG GLU A 42 -4.404 -11.777 7.130 1.00 0.00 C ATOM 666 CD GLU A 42 -5.612 -11.452 7.987 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.680 -11.952 9.130 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.489 -10.698 7.516 1.00 0.00 O ATOM 0 H GLU A 42 -0.850 -10.336 7.705 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.262 -11.763 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.741 -11.063 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.659 -9.801 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.694 -11.763 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.066 -12.789 7.354 1.00 0.00 H new ATOM 675 N LEU A 43 -2.331 -8.468 5.530 1.00 0.00 N ATOM 676 CA LEU A 43 -2.626 -7.355 4.642 1.00 0.00 C ATOM 677 C LEU A 43 -1.689 -7.370 3.442 1.00 0.00 C ATOM 678 O LEU A 43 -2.080 -7.006 2.333 1.00 0.00 O ATOM 679 CB LEU A 43 -2.507 -6.028 5.392 1.00 0.00 C ATOM 680 CG LEU A 43 -3.230 -5.984 6.741 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.230 -5.929 7.887 1.00 0.00 C ATOM 682 CD2 LEU A 43 -4.178 -4.794 6.801 1.00 0.00 C ATOM 0 H LEU A 43 -1.902 -8.201 6.416 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.650 -7.461 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.451 -5.813 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.901 -5.233 4.759 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.816 -6.897 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.765 -5.898 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.594 -6.814 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.613 -5.035 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.683 -4.779 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.612 -3.871 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.919 -4.878 6.006 1.00 0.00 H new ATOM 694 N LYS A 44 -0.450 -7.804 3.664 1.00 0.00 N ATOM 695 CA LYS A 44 0.528 -7.875 2.589 1.00 0.00 C ATOM 696 C LYS A 44 0.256 -9.093 1.712 1.00 0.00 C ATOM 697 O LYS A 44 0.531 -9.082 0.513 1.00 0.00 O ATOM 698 CB LYS A 44 1.956 -7.913 3.157 1.00 0.00 C ATOM 699 CG LYS A 44 2.522 -9.313 3.345 1.00 0.00 C ATOM 700 CD LYS A 44 3.838 -9.284 4.106 1.00 0.00 C ATOM 701 CE LYS A 44 5.027 -9.227 3.160 1.00 0.00 C ATOM 702 NZ LYS A 44 5.625 -10.572 2.938 1.00 0.00 N ATOM 0 H LYS A 44 -0.104 -8.109 4.574 1.00 0.00 H new ATOM 0 HA LYS A 44 0.437 -6.980 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.614 -7.355 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.965 -7.399 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.802 -9.928 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.674 -9.779 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.857 -8.419 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.915 -10.170 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.711 -8.808 2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.783 -8.556 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.432 -10.490 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.950 -10.962 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.911 -11.206 2.525 1.00 0.00 H new ATOM 716 N GLU A 45 -0.303 -10.137 2.320 1.00 0.00 N ATOM 717 CA GLU A 45 -0.630 -11.352 1.602 1.00 0.00 C ATOM 718 C GLU A 45 -1.874 -11.127 0.750 1.00 0.00 C ATOM 719 O GLU A 45 -1.963 -11.606 -0.380 1.00 0.00 O ATOM 720 CB GLU A 45 -0.848 -12.502 2.593 1.00 0.00 C ATOM 721 CG GLU A 45 -1.682 -13.644 2.040 1.00 0.00 C ATOM 722 CD GLU A 45 -1.183 -15.003 2.489 1.00 0.00 C ATOM 723 OE1 GLU A 45 -0.139 -15.453 1.970 1.00 0.00 O ATOM 724 OE2 GLU A 45 -1.835 -15.619 3.358 1.00 0.00 O ATOM 0 H GLU A 45 -0.537 -10.159 3.313 1.00 0.00 H new ATOM 0 HA GLU A 45 0.197 -11.619 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.122 -12.891 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.334 -12.111 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.717 -13.519 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.674 -13.600 0.951 1.00 0.00 H new ATOM 731 N HIS A 46 -2.829 -10.385 1.303 1.00 0.00 N ATOM 732 CA HIS A 46 -4.066 -10.082 0.594 1.00 0.00 C ATOM 733 C HIS A 46 -3.844 -8.961 -0.416 1.00 0.00 C ATOM 734 O HIS A 46 -4.505 -8.906 -1.453 1.00 0.00 O ATOM 735 CB HIS A 46 -5.163 -9.686 1.584 1.00 0.00 C ATOM 736 CG HIS A 46 -6.548 -9.913 1.065 1.00 0.00 C ATOM 737 ND1 HIS A 46 -7.114 -9.146 0.068 1.00 0.00 N ATOM 738 CD2 HIS A 46 -7.485 -10.829 1.409 1.00 0.00 C ATOM 739 CE1 HIS A 46 -8.338 -9.579 -0.177 1.00 0.00 C ATOM 740 NE2 HIS A 46 -8.586 -10.600 0.622 1.00 0.00 N ATOM 0 H HIS A 46 -2.769 -9.983 2.239 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.381 -10.977 0.057 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.032 -10.253 2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.048 -8.633 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.384 -11.596 2.162 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.020 -9.168 -0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.455 -11.133 0.650 1.00 0.00 H new ATOM 749 N LEU A 47 -2.908 -8.068 -0.105 1.00 0.00 N ATOM 750 CA LEU A 47 -2.597 -6.949 -0.983 1.00 0.00 C ATOM 751 C LEU A 47 -1.851 -7.421 -2.227 1.00 0.00 C ATOM 752 O LEU A 47 -2.315 -7.228 -3.350 1.00 0.00 O ATOM 753 CB LEU A 47 -1.762 -5.905 -0.238 1.00 0.00 C ATOM 754 CG LEU A 47 -1.382 -4.673 -1.062 1.00 0.00 C ATOM 755 CD1 LEU A 47 -1.422 -3.420 -0.200 1.00 0.00 C ATOM 756 CD2 LEU A 47 -0.003 -4.851 -1.681 1.00 0.00 C ATOM 0 H LEU A 47 -2.353 -8.100 0.750 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.537 -6.496 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.317 -5.578 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.849 -6.380 0.120 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.109 -4.560 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.149 -2.554 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.428 -3.283 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.718 -3.524 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.251 -3.966 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.735 -4.990 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.007 -5.725 -2.332 1.00 0.00 H new ATOM 768 N GLN A 48 -0.692 -8.041 -2.019 1.00 0.00 N ATOM 769 CA GLN A 48 0.117 -8.540 -3.127 1.00 0.00 C ATOM 770 C GLN A 48 -0.692 -9.491 -4.007 1.00 0.00 C ATOM 771 O GLN A 48 -0.429 -9.619 -5.203 1.00 0.00 O ATOM 772 CB GLN A 48 1.368 -9.250 -2.598 1.00 0.00 C ATOM 773 CG GLN A 48 1.075 -10.567 -1.897 1.00 0.00 C ATOM 774 CD GLN A 48 2.250 -11.067 -1.080 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.703 -12.199 -1.251 1.00 0.00 O ATOM 776 NE2 GLN A 48 2.751 -10.222 -0.186 1.00 0.00 N ATOM 0 H GLN A 48 -0.293 -8.209 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 48 0.424 -7.687 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.048 -9.435 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.885 -8.587 -1.904 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.211 -10.443 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.808 -11.318 -2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.344 -9.293 -0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.543 -10.502 0.393 1.00 0.00 H new ATOM 785 N ASP A 49 -1.676 -10.153 -3.407 1.00 0.00 N ATOM 786 CA ASP A 49 -2.523 -11.090 -4.135 1.00 0.00 C ATOM 787 C ASP A 49 -3.625 -10.355 -4.893 1.00 0.00 C ATOM 788 O ASP A 49 -4.117 -10.837 -5.913 1.00 0.00 O ATOM 789 CB ASP A 49 -3.141 -12.106 -3.173 1.00 0.00 C ATOM 790 CG ASP A 49 -3.613 -13.361 -3.882 1.00 0.00 C ATOM 791 OD1 ASP A 49 -2.786 -14.008 -4.557 1.00 0.00 O ATOM 792 OD2 ASP A 49 -4.810 -13.696 -3.761 1.00 0.00 O ATOM 0 H ASP A 49 -1.906 -10.058 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.899 -11.616 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.408 -12.375 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.983 -11.646 -2.655 1.00 0.00 H new ATOM 797 N ALA A 50 -4.008 -9.186 -4.389 1.00 0.00 N ATOM 798 CA ALA A 50 -5.052 -8.387 -5.022 1.00 0.00 C ATOM 799 C ALA A 50 -4.453 -7.207 -5.779 1.00 0.00 C ATOM 800 O ALA A 50 -4.411 -7.205 -7.010 1.00 0.00 O ATOM 801 CB ALA A 50 -6.047 -7.899 -3.981 1.00 0.00 C ATOM 0 H ALA A 50 -3.612 -8.771 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.576 -9.019 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.820 -7.304 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.505 -8.755 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.530 -7.287 -3.242 1.00 0.00 H new ATOM 807 N ILE A 51 -3.988 -6.207 -5.038 1.00 0.00 N ATOM 808 CA ILE A 51 -3.388 -5.025 -5.643 1.00 0.00 C ATOM 809 C ILE A 51 -2.150 -5.401 -6.450 1.00 0.00 C ATOM 810 O ILE A 51 -1.467 -6.376 -6.137 1.00 0.00 O ATOM 811 CB ILE A 51 -2.998 -3.979 -4.580 1.00 0.00 C ATOM 812 CG1 ILE A 51 -4.165 -3.728 -3.621 1.00 0.00 C ATOM 813 CG2 ILE A 51 -2.568 -2.681 -5.247 1.00 0.00 C ATOM 814 CD1 ILE A 51 -5.447 -3.328 -4.319 1.00 0.00 C ATOM 0 H ILE A 51 -4.015 -6.192 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.138 -4.590 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.158 -4.367 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.345 -4.631 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.884 -2.944 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.296 -1.952 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.709 -2.870 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.391 -2.289 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.230 -3.167 -3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.284 -2.408 -4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.752 -4.121 -5.002 1.00 0.00 H new ATOM 826 N GLU A 52 -1.868 -4.627 -7.493 1.00 0.00 N ATOM 827 CA GLU A 52 -0.713 -4.889 -8.344 1.00 0.00 C ATOM 828 C GLU A 52 -0.844 -6.254 -9.017 1.00 0.00 C ATOM 829 O GLU A 52 -1.938 -6.812 -9.093 1.00 0.00 O ATOM 830 CB GLU A 52 0.577 -4.824 -7.521 1.00 0.00 C ATOM 831 CG GLU A 52 0.660 -3.609 -6.612 1.00 0.00 C ATOM 832 CD GLU A 52 0.363 -3.940 -5.162 1.00 0.00 C ATOM 833 OE1 GLU A 52 0.475 -5.126 -4.787 1.00 0.00 O ATOM 834 OE2 GLU A 52 0.019 -3.011 -4.400 1.00 0.00 O ATOM 0 H GLU A 52 -2.421 -3.816 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.673 -4.124 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.657 -5.726 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.430 -4.819 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.657 -3.174 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.044 -2.852 -6.959 1.00 0.00 H new ATOM 841 N ASN A 53 0.273 -6.787 -9.505 1.00 0.00 N ATOM 842 CA ASN A 53 0.270 -8.085 -10.169 1.00 0.00 C ATOM 843 C ASN A 53 -0.167 -9.188 -9.208 1.00 0.00 C ATOM 844 O ASN A 53 0.664 -9.873 -8.613 1.00 0.00 O ATOM 845 CB ASN A 53 1.655 -8.396 -10.731 1.00 0.00 C ATOM 846 CG ASN A 53 1.649 -8.540 -12.241 1.00 0.00 C ATOM 847 OD1 ASN A 53 0.815 -9.249 -12.804 1.00 0.00 O ATOM 848 ND2 ASN A 53 2.582 -7.866 -12.904 1.00 0.00 N ATOM 0 H ASN A 53 1.189 -6.341 -9.453 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.445 -8.044 -10.991 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.346 -7.602 -10.448 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.027 -9.317 -10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.627 -7.924 -13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.253 -7.290 -12.396 1.00 0.00 H new ATOM 855 N GLY A 54 -1.478 -9.351 -9.061 1.00 0.00 N ATOM 856 CA GLY A 54 -2.004 -10.369 -8.170 1.00 0.00 C ATOM 857 C GLY A 54 -3.408 -10.799 -8.548 1.00 0.00 C ATOM 858 O GLY A 54 -3.702 -11.992 -8.616 1.00 0.00 O ATOM 0 H GLY A 54 -2.185 -8.796 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.345 -11.237 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.006 -9.988 -7.149 1.00 0.00 H new ATOM 862 N CYS A 55 -4.277 -9.824 -8.797 1.00 0.00 N ATOM 863 CA CYS A 55 -5.652 -10.106 -9.171 1.00 0.00 C ATOM 864 C CYS A 55 -6.162 -9.088 -10.187 1.00 0.00 C ATOM 865 O CYS A 55 -7.152 -8.399 -9.949 1.00 0.00 O ATOM 866 CB CYS A 55 -6.556 -10.111 -7.935 1.00 0.00 C ATOM 867 SG CYS A 55 -8.301 -10.498 -8.293 1.00 0.00 S ATOM 0 H CYS A 55 -4.049 -8.831 -8.745 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.677 -11.094 -9.630 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.172 -10.839 -7.220 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.503 -9.134 -7.455 1.00 0.00 H new ATOM 872 N LYS A 56 -5.482 -9.002 -11.326 1.00 0.00 N ATOM 873 CA LYS A 56 -5.876 -8.071 -12.378 1.00 0.00 C ATOM 874 C LYS A 56 -7.333 -8.291 -12.778 1.00 0.00 C ATOM 875 O LYS A 56 -7.998 -7.380 -13.272 1.00 0.00 O ATOM 876 CB LYS A 56 -4.969 -8.235 -13.599 1.00 0.00 C ATOM 877 CG LYS A 56 -3.493 -8.050 -13.290 1.00 0.00 C ATOM 878 CD LYS A 56 -2.625 -8.400 -14.489 1.00 0.00 C ATOM 879 CE LYS A 56 -2.934 -7.506 -15.679 1.00 0.00 C ATOM 880 NZ LYS A 56 -3.812 -8.186 -16.671 1.00 0.00 N ATOM 0 H LYS A 56 -4.659 -9.563 -11.544 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.772 -7.057 -11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.121 -9.227 -14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.265 -7.514 -14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.309 -7.017 -12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.216 -8.678 -12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.573 -8.300 -14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.786 -9.442 -14.764 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.418 -6.593 -15.331 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.003 -7.209 -16.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.373 -7.475 -17.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.226 -8.717 -17.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.451 -8.841 -16.177 1.00 0.00 H new ATOM 894 N LYS A 57 -7.821 -9.509 -12.560 1.00 0.00 N ATOM 895 CA LYS A 57 -9.190 -9.863 -12.893 1.00 0.00 C ATOM 896 C LYS A 57 -10.180 -9.230 -11.918 1.00 0.00 C ATOM 897 O LYS A 57 -11.350 -9.038 -12.249 1.00 0.00 O ATOM 898 CB LYS A 57 -9.367 -11.386 -12.895 1.00 0.00 C ATOM 899 CG LYS A 57 -8.116 -12.175 -12.535 1.00 0.00 C ATOM 900 CD LYS A 57 -8.340 -13.671 -12.683 1.00 0.00 C ATOM 901 CE LYS A 57 -8.360 -14.089 -14.144 1.00 0.00 C ATOM 902 NZ LYS A 57 -9.222 -15.282 -14.369 1.00 0.00 N ATOM 0 H LYS A 57 -7.280 -10.271 -12.150 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.396 -9.477 -13.891 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.158 -11.647 -12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.704 -11.697 -13.884 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.291 -11.864 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.825 -11.949 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.551 -14.212 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.283 -13.947 -12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.721 -13.261 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.344 -14.308 -14.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.209 -15.535 -15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.863 -16.080 -13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.197 -15.065 -14.079 1.00 0.00 H new ATOM 916 N CYS A 58 -9.709 -8.915 -10.713 1.00 0.00 N ATOM 917 CA CYS A 58 -10.560 -8.312 -9.690 1.00 0.00 C ATOM 918 C CYS A 58 -11.384 -7.161 -10.263 1.00 0.00 C ATOM 919 O CYS A 58 -11.097 -6.659 -11.350 1.00 0.00 O ATOM 920 CB CYS A 58 -9.714 -7.811 -8.518 1.00 0.00 C ATOM 921 SG CYS A 58 -9.337 -9.084 -7.267 1.00 0.00 S ATOM 0 H CYS A 58 -8.743 -9.067 -10.422 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.246 -9.081 -9.334 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.777 -7.411 -8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.237 -6.986 -8.034 1.00 0.00 H new ATOM 926 N THR A 59 -12.412 -6.753 -9.524 1.00 0.00 N ATOM 927 CA THR A 59 -13.288 -5.666 -9.955 1.00 0.00 C ATOM 928 C THR A 59 -12.481 -4.442 -10.407 1.00 0.00 C ATOM 929 O THR A 59 -12.057 -4.370 -11.560 1.00 0.00 O ATOM 930 CB THR A 59 -14.270 -5.296 -8.834 1.00 0.00 C ATOM 931 OG1 THR A 59 -14.753 -3.974 -9.002 1.00 0.00 O ATOM 932 CG2 THR A 59 -13.674 -5.393 -7.444 1.00 0.00 C ATOM 0 H THR A 59 -12.660 -7.159 -8.622 1.00 0.00 H new ATOM 0 HA THR A 59 -13.860 -6.013 -10.815 1.00 0.00 H new ATOM 0 HB THR A 59 -15.075 -6.026 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.378 -3.760 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.427 -5.117 -6.705 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.343 -6.415 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.823 -4.717 -7.365 1.00 0.00 H new ATOM 940 N GLU A 60 -12.269 -3.484 -9.503 1.00 0.00 N ATOM 941 CA GLU A 60 -11.515 -2.277 -9.831 1.00 0.00 C ATOM 942 C GLU A 60 -11.396 -1.355 -8.622 1.00 0.00 C ATOM 943 O GLU A 60 -10.382 -0.680 -8.446 1.00 0.00 O ATOM 944 CB GLU A 60 -12.180 -1.527 -10.987 1.00 0.00 C ATOM 945 CG GLU A 60 -11.302 -0.448 -11.598 1.00 0.00 C ATOM 946 CD GLU A 60 -10.116 -1.018 -12.351 1.00 0.00 C ATOM 947 OE1 GLU A 60 -9.089 -1.313 -11.705 1.00 0.00 O ATOM 948 OE2 GLU A 60 -10.215 -1.169 -13.587 1.00 0.00 O ATOM 0 H GLU A 60 -12.608 -3.522 -8.542 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.513 -2.585 -10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.455 -2.242 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.104 -1.073 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.900 0.161 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.943 0.213 -10.809 1.00 0.00 H new ATOM 955 N ASN A 61 -12.438 -1.327 -7.792 1.00 0.00 N ATOM 956 CA ASN A 61 -12.448 -0.482 -6.599 1.00 0.00 C ATOM 957 C ASN A 61 -11.121 -0.574 -5.850 1.00 0.00 C ATOM 958 O ASN A 61 -10.549 0.443 -5.455 1.00 0.00 O ATOM 959 CB ASN A 61 -13.601 -0.875 -5.671 1.00 0.00 C ATOM 960 CG ASN A 61 -13.787 -2.378 -5.570 1.00 0.00 C ATOM 961 OD1 ASN A 61 -12.821 -3.128 -5.433 1.00 0.00 O ATOM 962 ND2 ASN A 61 -15.035 -2.825 -5.639 1.00 0.00 N ATOM 0 H ASN A 61 -13.285 -1.879 -7.924 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.590 0.549 -6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.416 -0.469 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.524 -0.423 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.222 -3.826 -5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.807 -2.168 -5.753 1.00 0.00 H new ATOM 969 N GLN A 62 -10.631 -1.799 -5.667 1.00 0.00 N ATOM 970 CA GLN A 62 -9.364 -2.023 -4.973 1.00 0.00 C ATOM 971 C GLN A 62 -8.289 -1.082 -5.494 1.00 0.00 C ATOM 972 O GLN A 62 -7.532 -0.491 -4.722 1.00 0.00 O ATOM 973 CB GLN A 62 -8.912 -3.479 -5.134 1.00 0.00 C ATOM 974 CG GLN A 62 -9.222 -4.071 -6.501 1.00 0.00 C ATOM 975 CD GLN A 62 -8.023 -4.750 -7.133 1.00 0.00 C ATOM 976 OE1 GLN A 62 -8.000 -6.078 -7.084 1.00 0.00 O flip ATOM 977 NE2 GLN A 62 -7.127 -4.090 -7.660 1.00 0.00 N flip ATOM 0 H GLN A 62 -11.091 -2.650 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.519 -1.819 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.838 -3.538 -4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.394 -4.086 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.033 -4.793 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.576 -3.280 -7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.185 -3.072 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.327 -4.562 -8.081 1.00 0.00 H new ATOM 986 N GLU A 63 -8.240 -0.937 -6.809 1.00 0.00 N ATOM 987 CA GLU A 63 -7.274 -0.058 -7.443 1.00 0.00 C ATOM 988 C GLU A 63 -7.452 1.373 -6.951 1.00 0.00 C ATOM 989 O GLU A 63 -6.478 2.090 -6.721 1.00 0.00 O ATOM 990 CB GLU A 63 -7.443 -0.118 -8.957 1.00 0.00 C ATOM 991 CG GLU A 63 -6.149 0.090 -9.727 1.00 0.00 C ATOM 992 CD GLU A 63 -6.388 0.450 -11.180 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.430 1.073 -11.475 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.532 0.109 -12.024 1.00 0.00 O ATOM 0 H GLU A 63 -8.861 -1.419 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.269 -0.389 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.865 -1.086 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.163 0.641 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.570 0.881 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.549 -0.819 -9.675 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.708 1.780 -6.787 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.021 3.117 -6.320 1.00 0.00 C ATOM 1003 C LYS A 64 -8.541 3.313 -4.888 1.00 0.00 C ATOM 1004 O LYS A 64 -7.695 4.165 -4.618 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.524 3.378 -6.414 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.934 4.764 -5.940 1.00 0.00 C ATOM 1007 CD LYS A 64 -11.134 5.716 -7.109 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.263 5.255 -8.016 1.00 0.00 C ATOM 1009 NZ LYS A 64 -12.769 6.359 -8.878 1.00 0.00 N ATOM 0 H LYS A 64 -9.524 1.197 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.502 3.831 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.842 3.248 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.052 2.630 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.857 4.695 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.170 5.162 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.353 6.715 -6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.210 5.787 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.913 4.436 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.080 4.865 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.538 6.004 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.127 7.131 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.996 6.715 -9.476 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.078 2.510 -3.971 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.677 2.609 -2.579 1.00 0.00 C ATOM 1025 C GLY A 65 -7.174 2.576 -2.424 1.00 0.00 C ATOM 1026 O GLY A 65 -6.617 3.237 -1.548 1.00 0.00 O ATOM 0 H GLY A 65 -9.780 1.796 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.066 3.534 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.119 1.788 -2.014 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.514 1.813 -3.288 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.065 1.709 -3.251 1.00 0.00 C ATOM 1032 C ALA A 66 -4.425 3.042 -3.606 1.00 0.00 C ATOM 1033 O ALA A 66 -3.761 3.658 -2.771 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.583 0.614 -4.190 1.00 0.00 C ATOM 0 H ALA A 66 -6.960 1.260 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.765 1.445 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.496 0.552 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.013 -0.341 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.894 0.845 -5.209 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.639 3.499 -4.842 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.080 4.775 -5.279 1.00 0.00 C ATOM 1042 C TYR A 67 -4.347 5.842 -4.226 1.00 0.00 C ATOM 1043 O TYR A 67 -3.438 6.546 -3.794 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.670 5.198 -6.626 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.719 6.015 -7.480 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.845 6.929 -6.907 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.706 5.874 -8.862 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.983 7.678 -7.686 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.848 6.620 -9.648 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.988 7.519 -9.055 1.00 0.00 C ATOM 1051 OH TYR A 67 -1.133 8.264 -9.834 1.00 0.00 O ATOM 0 H TYR A 67 -5.189 3.010 -5.548 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.004 4.657 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.966 4.306 -7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.575 5.779 -6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.838 7.057 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.378 5.170 -9.330 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.309 8.384 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.851 6.499 -10.721 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.241 7.858 -9.821 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.596 5.932 -3.783 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.959 6.891 -2.750 1.00 0.00 C ATOM 1063 C ARG A 68 -5.017 6.743 -1.560 1.00 0.00 C ATOM 1064 O ARG A 68 -4.541 7.732 -0.992 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.407 6.675 -2.305 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.080 7.938 -1.794 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.450 7.640 -1.207 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.033 8.809 -0.554 1.00 0.00 N ATOM 1069 CZ ARG A 68 -10.554 9.843 -1.211 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.568 9.855 -2.539 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -11.063 10.867 -0.540 1.00 0.00 N ATOM 0 H ARG A 68 -6.368 5.357 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.870 7.899 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.981 6.281 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.428 5.919 -1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.452 8.405 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.180 8.654 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.116 7.297 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.366 6.827 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.041 8.835 0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.178 9.070 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.968 10.650 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.055 10.863 0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.462 11.659 -1.044 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.730 5.492 -1.200 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.833 5.211 -0.095 1.00 0.00 C ATOM 1087 C VAL A 69 -2.391 5.511 -0.484 1.00 0.00 C ATOM 1088 O VAL A 69 -1.561 5.811 0.374 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.955 3.749 0.363 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.928 3.419 1.438 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.363 3.467 0.863 1.00 0.00 C ATOM 0 H VAL A 69 -5.108 4.664 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.120 5.858 0.734 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.754 3.109 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.040 2.378 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.924 3.576 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.083 4.067 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.434 2.428 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.589 4.123 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.077 3.648 0.060 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.094 5.442 -1.780 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.747 5.723 -2.247 1.00 0.00 C ATOM 1103 C ILE A 70 -0.493 7.223 -2.266 1.00 0.00 C ATOM 1104 O ILE A 70 0.609 7.681 -1.968 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.460 5.105 -3.638 1.00 0.00 C ATOM 1106 CG1 ILE A 70 1.016 4.736 -3.739 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.840 6.047 -4.777 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.353 3.384 -3.159 1.00 0.00 C ATOM 0 H ILE A 70 -2.760 5.197 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.060 5.253 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.076 4.211 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.313 4.754 -4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.606 5.497 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.621 5.570 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.905 6.275 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.267 6.970 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.421 3.196 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.089 3.366 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.792 2.612 -3.686 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.530 7.984 -2.596 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.431 9.430 -2.631 1.00 0.00 C ATOM 1122 C GLU A 71 -1.420 9.976 -1.212 1.00 0.00 C ATOM 1123 O GLU A 71 -0.767 10.979 -0.924 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.593 10.034 -3.420 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.960 9.620 -2.901 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.095 10.301 -3.641 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.399 11.468 -3.317 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.680 9.666 -4.544 1.00 0.00 O ATOM 0 H GLU A 71 -2.450 7.618 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.502 9.705 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.516 11.121 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.505 9.737 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.068 8.539 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.029 9.858 -1.839 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.144 9.299 -0.323 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.208 9.713 1.072 1.00 0.00 C ATOM 1137 C HIS A 72 -0.917 9.357 1.798 1.00 0.00 C ATOM 1138 O HIS A 72 -0.353 10.181 2.518 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.404 9.061 1.768 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.830 9.771 3.015 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.133 10.150 3.258 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.116 10.172 4.093 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.203 10.755 4.431 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.992 10.780 4.958 1.00 0.00 N ATOM 0 H HIS A 72 -2.691 8.467 -0.544 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.334 10.795 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.244 9.027 1.074 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.153 8.030 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.055 10.039 4.244 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.097 11.160 4.882 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.747 11.185 5.861 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.443 8.130 1.597 1.00 0.00 N ATOM 1154 CA LEU A 73 0.790 7.683 2.228 1.00 0.00 C ATOM 1155 C LEU A 73 1.979 8.432 1.640 1.00 0.00 C ATOM 1156 O LEU A 73 2.917 8.797 2.353 1.00 0.00 O ATOM 1157 CB LEU A 73 0.971 6.175 2.033 1.00 0.00 C ATOM 1158 CG LEU A 73 0.330 5.295 3.110 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.118 5.697 3.345 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.419 3.828 2.716 1.00 0.00 C ATOM 0 H LEU A 73 -0.893 7.432 1.005 1.00 0.00 H new ATOM 0 HA LEU A 73 0.732 7.893 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.554 5.898 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.038 5.956 1.995 1.00 0.00 H new ATOM 0 HG LEU A 73 0.878 5.439 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.553 5.058 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.159 6.736 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.682 5.585 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.041 3.215 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.104 3.672 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.465 3.545 2.602 1.00 0.00 H new ATOM 1172 N ILE A 74 1.924 8.669 0.330 1.00 0.00 N ATOM 1173 CA ILE A 74 2.986 9.383 -0.364 1.00 0.00 C ATOM 1174 C ILE A 74 3.283 10.705 0.337 1.00 0.00 C ATOM 1175 O ILE A 74 4.438 11.021 0.622 1.00 0.00 O ATOM 1176 CB ILE A 74 2.621 9.630 -1.846 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.120 8.472 -2.715 1.00 0.00 C ATOM 1178 CG2 ILE A 74 3.189 10.952 -2.351 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.342 8.296 -4.005 1.00 0.00 C ATOM 0 H ILE A 74 1.153 8.375 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 74 3.881 8.761 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 74 1.535 9.687 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.171 8.636 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.065 7.548 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.912 11.091 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.786 11.772 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.275 10.939 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.754 7.457 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.295 8.100 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.418 9.205 -4.602 1.00 0.00 H new ATOM 1191 N LYS A 75 2.231 11.468 0.621 1.00 0.00 N ATOM 1192 CA LYS A 75 2.374 12.741 1.289 1.00 0.00 C ATOM 1193 C LYS A 75 2.542 12.549 2.790 1.00 0.00 C ATOM 1194 O LYS A 75 3.264 13.302 3.444 1.00 0.00 O ATOM 1195 CB LYS A 75 1.150 13.602 1.002 1.00 0.00 C ATOM 1196 CG LYS A 75 0.823 13.723 -0.478 1.00 0.00 C ATOM 1197 CD LYS A 75 1.252 15.070 -1.037 1.00 0.00 C ATOM 1198 CE LYS A 75 2.750 15.283 -0.890 1.00 0.00 C ATOM 1199 NZ LYS A 75 3.082 16.072 0.328 1.00 0.00 N ATOM 0 H LYS A 75 1.269 11.218 0.394 1.00 0.00 H new ATOM 0 HA LYS A 75 3.267 13.239 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.290 13.180 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.313 14.599 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.321 12.925 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.249 13.591 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.976 15.133 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.718 15.867 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.251 14.316 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.132 15.798 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.922 16.657 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.280 16.687 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.276 15.425 1.119 1.00 0.00 H new ATOM 1213 N ASN A 76 1.881 11.528 3.334 1.00 0.00 N ATOM 1214 CA ASN A 76 1.975 11.238 4.761 1.00 0.00 C ATOM 1215 C ASN A 76 3.435 11.197 5.188 1.00 0.00 C ATOM 1216 O ASN A 76 3.812 11.758 6.217 1.00 0.00 O ATOM 1217 CB ASN A 76 1.299 9.905 5.085 1.00 0.00 C ATOM 1218 CG ASN A 76 1.086 9.715 6.574 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.035 9.480 7.323 1.00 0.00 O ATOM 1220 ND2 ASN A 76 -0.164 9.814 7.011 1.00 0.00 N ATOM 0 H ASN A 76 1.279 10.892 2.811 1.00 0.00 H new ATOM 0 HA ASN A 76 1.463 12.029 5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.338 9.854 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.909 9.088 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.368 9.694 8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.920 10.010 6.355 1.00 0.00 H new ATOM 1227 N GLU A 77 4.255 10.542 4.372 1.00 0.00 N ATOM 1228 CA GLU A 77 5.686 10.440 4.645 1.00 0.00 C ATOM 1229 C GLU A 77 6.401 9.645 3.569 1.00 0.00 C ATOM 1230 O GLU A 77 7.410 8.993 3.836 1.00 0.00 O ATOM 1231 CB GLU A 77 5.933 9.816 6.023 1.00 0.00 C ATOM 1232 CG GLU A 77 6.216 10.835 7.115 1.00 0.00 C ATOM 1233 CD GLU A 77 7.664 10.824 7.563 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.185 9.728 7.861 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.278 11.911 7.616 1.00 0.00 O ATOM 0 H GLU A 77 3.954 10.074 3.517 1.00 0.00 H new ATOM 0 HA GLU A 77 6.094 11.451 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.061 9.226 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.775 9.127 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.959 11.831 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.573 10.632 7.972 1.00 0.00 H new ATOM 1242 N ILE A 78 5.870 9.729 2.353 1.00 0.00 N ATOM 1243 CA ILE A 78 6.419 9.042 1.183 1.00 0.00 C ATOM 1244 C ILE A 78 7.252 7.828 1.569 1.00 0.00 C ATOM 1245 O ILE A 78 8.293 7.552 0.977 1.00 0.00 O ATOM 1246 CB ILE A 78 7.249 10.000 0.309 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.791 9.274 -0.924 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.379 10.629 1.111 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.408 9.934 -2.224 1.00 0.00 C ATOM 0 H ILE A 78 5.037 10.281 2.147 1.00 0.00 H new ATOM 0 HA ILE A 78 5.567 8.690 0.602 1.00 0.00 H new ATOM 0 HB ILE A 78 6.594 10.803 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.878 9.222 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.423 8.248 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.950 11.301 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.963 11.191 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.035 9.846 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.825 9.367 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.322 9.962 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.800 10.951 -2.245 1.00 0.00 H new ATOM 1261 N GLU A 79 6.770 7.093 2.558 1.00 0.00 N ATOM 1262 CA GLU A 79 7.452 5.901 3.003 1.00 0.00 C ATOM 1263 C GLU A 79 7.098 4.746 2.077 1.00 0.00 C ATOM 1264 O GLU A 79 7.712 3.680 2.118 1.00 0.00 O ATOM 1265 CB GLU A 79 7.074 5.567 4.447 1.00 0.00 C ATOM 1266 CG GLU A 79 5.599 5.247 4.630 1.00 0.00 C ATOM 1267 CD GLU A 79 5.108 5.549 6.032 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.302 4.697 6.925 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.530 6.636 6.238 1.00 0.00 O ATOM 0 H GLU A 79 5.910 7.305 3.064 1.00 0.00 H new ATOM 0 HA GLU A 79 8.528 6.072 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.666 4.715 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.337 6.409 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.014 5.822 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.429 4.193 4.408 1.00 0.00 H new ATOM 1276 N ILE A 80 6.097 4.987 1.233 1.00 0.00 N ATOM 1277 CA ILE A 80 5.630 3.998 0.271 1.00 0.00 C ATOM 1278 C ILE A 80 6.783 3.431 -0.548 1.00 0.00 C ATOM 1279 O ILE A 80 7.076 2.238 -0.477 1.00 0.00 O ATOM 1280 CB ILE A 80 4.586 4.628 -0.672 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.403 5.145 0.147 1.00 0.00 C ATOM 1282 CG2 ILE A 80 4.119 3.637 -1.733 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.240 5.593 -0.697 1.00 0.00 C ATOM 0 H ILE A 80 5.590 5.871 1.199 1.00 0.00 H new ATOM 0 HA ILE A 80 5.173 3.181 0.829 1.00 0.00 H new ATOM 0 HB ILE A 80 5.053 5.463 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.069 4.359 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.736 5.979 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.384 4.116 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.972 3.314 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.667 2.771 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.437 5.947 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.559 6.401 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.881 4.756 -1.296 1.00 0.00 H new ATOM 1295 N TRP A 81 7.439 4.289 -1.323 1.00 0.00 N ATOM 1296 CA TRP A 81 8.562 3.854 -2.152 1.00 0.00 C ATOM 1297 C TRP A 81 9.544 3.019 -1.335 1.00 0.00 C ATOM 1298 O TRP A 81 10.143 2.068 -1.844 1.00 0.00 O ATOM 1299 CB TRP A 81 9.261 5.062 -2.776 1.00 0.00 C ATOM 1300 CG TRP A 81 8.307 6.025 -3.419 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.532 7.344 -3.688 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.974 5.747 -3.872 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.422 7.903 -4.275 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.453 6.944 -4.399 1.00 0.00 C ATOM 1305 CE3 TRP A 81 6.168 4.604 -3.885 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.167 7.027 -4.928 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.896 4.692 -4.412 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.407 5.895 -4.926 1.00 0.00 C ATOM 0 H TRP A 81 7.216 5.282 -1.396 1.00 0.00 H new ATOM 0 HA TRP A 81 8.177 3.228 -2.956 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.830 5.583 -2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.976 4.715 -3.522 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.449 7.872 -3.471 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.334 8.875 -4.570 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.535 3.669 -3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.785 7.956 -5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.267 3.814 -4.427 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.406 5.929 -5.330 1.00 0.00 H new ATOM 1319 N ARG A 82 9.683 3.361 -0.059 1.00 0.00 N ATOM 1320 CA ARG A 82 10.567 2.623 0.830 1.00 0.00 C ATOM 1321 C ARG A 82 10.079 1.186 0.966 1.00 0.00 C ATOM 1322 O ARG A 82 10.866 0.239 0.912 1.00 0.00 O ATOM 1323 CB ARG A 82 10.627 3.292 2.204 1.00 0.00 C ATOM 1324 CG ARG A 82 11.979 3.162 2.886 1.00 0.00 C ATOM 1325 CD ARG A 82 11.849 3.228 4.399 1.00 0.00 C ATOM 1326 NE ARG A 82 12.032 4.587 4.905 1.00 0.00 N ATOM 1327 CZ ARG A 82 12.263 4.877 6.183 1.00 0.00 C ATOM 1328 NH1 ARG A 82 12.341 3.908 7.087 1.00 0.00 N ATOM 1329 NH2 ARG A 82 12.417 6.139 6.559 1.00 0.00 N ATOM 0 H ARG A 82 9.196 4.142 0.380 1.00 0.00 H new ATOM 0 HA ARG A 82 11.571 2.621 0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.385 4.349 2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.862 2.854 2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.442 2.218 2.601 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.639 3.958 2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.867 2.860 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.587 2.569 4.856 1.00 0.00 H new ATOM 0 HE ARG A 82 11.980 5.358 4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.224 2.935 6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.518 4.136 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.358 6.888 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.594 6.361 7.539 1.00 0.00 H new ATOM 1343 N GLU A 83 8.768 1.028 1.122 1.00 0.00 N ATOM 1344 CA GLU A 83 8.177 -0.293 1.244 1.00 0.00 C ATOM 1345 C GLU A 83 8.237 -1.011 -0.096 1.00 0.00 C ATOM 1346 O GLU A 83 8.372 -2.233 -0.158 1.00 0.00 O ATOM 1347 CB GLU A 83 6.733 -0.201 1.762 1.00 0.00 C ATOM 1348 CG GLU A 83 5.672 -0.102 0.673 1.00 0.00 C ATOM 1349 CD GLU A 83 4.512 0.792 1.068 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.395 1.118 2.268 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.721 1.165 0.176 1.00 0.00 O ATOM 0 H GLU A 83 8.100 1.798 1.166 1.00 0.00 H new ATOM 0 HA GLU A 83 8.749 -0.870 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.525 -1.078 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.649 0.670 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.128 0.283 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.296 -1.099 0.445 1.00 0.00 H new ATOM 1358 N LEU A 84 8.149 -0.233 -1.167 1.00 0.00 N ATOM 1359 CA LEU A 84 8.205 -0.776 -2.512 1.00 0.00 C ATOM 1360 C LEU A 84 9.543 -1.458 -2.760 1.00 0.00 C ATOM 1361 O LEU A 84 9.599 -2.551 -3.324 1.00 0.00 O ATOM 1362 CB LEU A 84 7.982 0.335 -3.533 1.00 0.00 C ATOM 1363 CG LEU A 84 6.530 0.519 -3.964 1.00 0.00 C ATOM 1364 CD1 LEU A 84 6.113 -0.598 -4.911 1.00 0.00 C ATOM 1365 CD2 LEU A 84 5.611 0.567 -2.750 1.00 0.00 C ATOM 0 H LEU A 84 8.038 0.780 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 84 7.416 -1.520 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.345 1.274 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.586 0.126 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 84 6.444 1.469 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.075 -0.453 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.751 -0.583 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.215 -1.559 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.580 0.699 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.697 -0.365 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.897 1.402 -2.110 1.00 0.00 H new ATOM 1377 N THR A 85 10.623 -0.814 -2.331 1.00 0.00 N ATOM 1378 CA THR A 85 11.952 -1.382 -2.507 1.00 0.00 C ATOM 1379 C THR A 85 12.079 -2.680 -1.718 1.00 0.00 C ATOM 1380 O THR A 85 12.797 -3.597 -2.118 1.00 0.00 O ATOM 1381 CB THR A 85 13.030 -0.380 -2.078 1.00 0.00 C ATOM 1382 OG1 THR A 85 14.310 -0.810 -2.505 1.00 0.00 O ATOM 1383 CG2 THR A 85 13.101 -0.152 -0.582 1.00 0.00 C ATOM 0 H THR A 85 10.604 0.092 -1.864 1.00 0.00 H new ATOM 0 HA THR A 85 12.097 -1.603 -3.564 1.00 0.00 H new ATOM 0 HB THR A 85 12.742 0.559 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.985 -0.158 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.888 0.569 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.145 0.233 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.321 -1.094 -0.080 1.00 0.00 H new ATOM 1391 N ALA A 86 11.368 -2.750 -0.596 1.00 0.00 N ATOM 1392 CA ALA A 86 11.389 -3.937 0.252 1.00 0.00 C ATOM 1393 C ALA A 86 10.391 -4.985 -0.238 1.00 0.00 C ATOM 1394 O ALA A 86 10.584 -6.183 -0.030 1.00 0.00 O ATOM 1395 CB ALA A 86 11.092 -3.558 1.695 1.00 0.00 C ATOM 0 H ALA A 86 10.770 -1.998 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 86 12.387 -4.373 0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.111 -4.453 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.845 -2.854 2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.107 -3.095 1.754 1.00 0.00 H new ATOM 1401 N LYS A 87 9.325 -4.527 -0.890 1.00 0.00 N ATOM 1402 CA LYS A 87 8.297 -5.422 -1.410 1.00 0.00 C ATOM 1403 C LYS A 87 7.627 -4.812 -2.638 1.00 0.00 C ATOM 1404 O LYS A 87 7.501 -3.596 -2.743 1.00 0.00 O ATOM 1405 CB LYS A 87 7.250 -5.714 -0.333 1.00 0.00 C ATOM 1406 CG LYS A 87 6.718 -7.137 -0.372 1.00 0.00 C ATOM 1407 CD LYS A 87 7.601 -8.083 0.426 1.00 0.00 C ATOM 1408 CE LYS A 87 7.714 -9.440 -0.249 1.00 0.00 C ATOM 1409 NZ LYS A 87 8.957 -9.555 -1.061 1.00 0.00 N ATOM 0 H LYS A 87 9.151 -3.538 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 87 8.774 -6.358 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.687 -5.525 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.417 -5.020 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.704 -7.159 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.660 -7.477 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.594 -7.648 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.191 -8.207 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.701 -10.224 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.846 -9.600 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.996 -10.495 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.958 -8.823 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.786 -9.427 -0.446 1.00 0.00 H new ATOM 1423 N TYR A 88 7.203 -5.663 -3.567 1.00 0.00 N ATOM 1424 CA TYR A 88 6.552 -5.199 -4.793 1.00 0.00 C ATOM 1425 C TYR A 88 7.555 -4.533 -5.736 1.00 0.00 C ATOM 1426 O TYR A 88 7.170 -3.944 -6.746 1.00 0.00 O ATOM 1427 CB TYR A 88 5.420 -4.221 -4.465 1.00 0.00 C ATOM 1428 CG TYR A 88 4.542 -4.667 -3.317 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.552 -5.622 -3.507 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.703 -4.132 -2.045 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.746 -6.031 -2.462 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.902 -4.537 -0.994 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.925 -5.486 -1.208 1.00 0.00 C ATOM 1434 OH TYR A 88 2.125 -5.892 -0.164 1.00 0.00 O ATOM 0 H TYR A 88 7.297 -6.676 -3.497 1.00 0.00 H new ATOM 0 HA TYR A 88 6.135 -6.072 -5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.850 -3.249 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.801 -4.085 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.410 -6.052 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.467 -3.387 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.980 -6.774 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.041 -4.112 -0.011 1.00 0.00 H new ATOM 0 HH TYR A 88 2.382 -5.412 0.651 1.00 0.00 H new ATOM 1444 N ASP A 89 8.841 -4.629 -5.405 1.00 0.00 N ATOM 1445 CA ASP A 89 9.889 -4.037 -6.228 1.00 0.00 C ATOM 1446 C ASP A 89 9.910 -4.657 -7.625 1.00 0.00 C ATOM 1447 O ASP A 89 9.769 -3.951 -8.624 1.00 0.00 O ATOM 1448 CB ASP A 89 11.253 -4.214 -5.557 1.00 0.00 C ATOM 1449 CG ASP A 89 12.107 -2.964 -5.647 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.534 -1.857 -5.726 1.00 0.00 O ATOM 1451 OD2 ASP A 89 13.350 -3.092 -5.639 1.00 0.00 O ATOM 0 H ASP A 89 9.180 -5.111 -4.573 1.00 0.00 H new ATOM 0 HA ASP A 89 9.675 -2.973 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.108 -4.477 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.780 -5.046 -6.025 1.00 0.00 H new ATOM 1456 N PRO A 90 10.090 -5.989 -7.719 1.00 0.00 N ATOM 1457 CA PRO A 90 10.132 -6.694 -9.003 1.00 0.00 C ATOM 1458 C PRO A 90 8.985 -6.298 -9.928 1.00 0.00 C ATOM 1459 O PRO A 90 9.113 -6.366 -11.150 1.00 0.00 O ATOM 1460 CB PRO A 90 10.027 -8.180 -8.618 1.00 0.00 C ATOM 1461 CG PRO A 90 9.739 -8.205 -7.151 1.00 0.00 C ATOM 1462 CD PRO A 90 10.271 -6.917 -6.596 1.00 0.00 C ATOM 0 HA PRO A 90 11.038 -6.454 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.234 -8.674 -9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.954 -8.708 -8.843 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.669 -8.295 -6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.218 -9.061 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.719 -6.597 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.318 -7.002 -6.305 1.00 0.00 H new ATOM 1470 N THR A 91 7.865 -5.882 -9.343 1.00 0.00 N ATOM 1471 CA THR A 91 6.705 -5.475 -10.128 1.00 0.00 C ATOM 1472 C THR A 91 7.066 -4.329 -11.069 1.00 0.00 C ATOM 1473 O THR A 91 7.173 -4.519 -12.281 1.00 0.00 O ATOM 1474 CB THR A 91 5.553 -5.061 -9.208 1.00 0.00 C ATOM 1475 OG1 THR A 91 5.731 -5.599 -7.909 1.00 0.00 O ATOM 1476 CG2 THR A 91 4.198 -5.511 -9.709 1.00 0.00 C ATOM 0 H THR A 91 7.737 -5.818 -8.333 1.00 0.00 H new ATOM 0 HA THR A 91 6.384 -6.327 -10.728 1.00 0.00 H new ATOM 0 HB THR A 91 5.573 -3.971 -9.190 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.787 -4.869 -7.257 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.426 -5.186 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.009 -5.074 -10.689 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.182 -6.598 -9.787 1.00 0.00 H new ATOM 1484 N GLY A 92 7.259 -3.140 -10.504 1.00 0.00 N ATOM 1485 CA GLY A 92 7.615 -1.980 -11.304 1.00 0.00 C ATOM 1486 C GLY A 92 6.743 -1.818 -12.534 1.00 0.00 C ATOM 1487 O GLY A 92 7.237 -1.844 -13.662 1.00 0.00 O ATOM 0 H GLY A 92 7.175 -2.959 -9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.536 -1.083 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.657 -2.064 -11.613 1.00 0.00 H new ATOM 1491 N ASN A 93 5.444 -1.647 -12.318 1.00 0.00 N ATOM 1492 CA ASN A 93 4.503 -1.477 -13.420 1.00 0.00 C ATOM 1493 C ASN A 93 3.292 -0.663 -12.978 1.00 0.00 C ATOM 1494 O ASN A 93 2.882 0.279 -13.656 1.00 0.00 O ATOM 1495 CB ASN A 93 4.052 -2.839 -13.950 1.00 0.00 C ATOM 1496 CG ASN A 93 3.647 -2.786 -15.410 1.00 0.00 C ATOM 1497 OD1 ASN A 93 3.113 -1.782 -15.882 1.00 0.00 O ATOM 1498 ND2 ASN A 93 3.898 -3.870 -16.134 1.00 0.00 N ATOM 0 H ASN A 93 5.018 -1.622 -11.391 1.00 0.00 H new ATOM 0 HA ASN A 93 5.011 -0.936 -14.219 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.860 -3.560 -13.826 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.212 -3.197 -13.355 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.646 -3.893 -17.122 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.342 -4.680 -15.702 1.00 0.00 H new ATOM 1505 N TRP A 94 2.727 -1.032 -11.834 1.00 0.00 N ATOM 1506 CA TRP A 94 1.565 -0.336 -11.294 1.00 0.00 C ATOM 1507 C TRP A 94 2.005 0.861 -10.460 1.00 0.00 C ATOM 1508 O TRP A 94 1.569 1.995 -10.685 1.00 0.00 O ATOM 1509 CB TRP A 94 0.720 -1.286 -10.439 1.00 0.00 C ATOM 1510 CG TRP A 94 0.754 -2.709 -10.910 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.680 -3.660 -10.583 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -0.176 -3.342 -11.795 1.00 0.00 C ATOM 1513 NE1 TRP A 94 1.381 -4.844 -11.213 1.00 0.00 N ATOM 1514 CE2 TRP A 94 0.246 -4.675 -11.962 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -1.326 -2.912 -12.464 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -0.441 -5.579 -12.768 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.007 -3.810 -13.264 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -1.563 -5.130 -13.409 1.00 0.00 C ATOM 0 H TRP A 94 3.055 -1.810 -11.262 1.00 0.00 H new ATOM 0 HA TRP A 94 0.959 0.018 -12.128 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.073 -1.245 -9.409 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.313 -0.938 -10.437 1.00 0.00 H new ATOM 0 HD1 TRP A 94 2.523 -3.504 -9.926 1.00 0.00 H new ATOM 0 HE1 TRP A 94 1.917 -5.708 -11.136 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.676 -1.896 -12.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.100 -6.597 -12.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.896 -3.488 -13.786 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.118 -5.808 -14.040 1.00 0.00 H new ATOM 1529 N ARG A 95 2.882 0.605 -9.496 1.00 0.00 N ATOM 1530 CA ARG A 95 3.385 1.662 -8.635 1.00 0.00 C ATOM 1531 C ARG A 95 4.005 2.784 -9.461 1.00 0.00 C ATOM 1532 O ARG A 95 4.105 3.919 -8.999 1.00 0.00 O ATOM 1533 CB ARG A 95 4.400 1.109 -7.634 1.00 0.00 C ATOM 1534 CG ARG A 95 3.898 1.141 -6.200 1.00 0.00 C ATOM 1535 CD ARG A 95 3.219 -0.165 -5.820 1.00 0.00 C ATOM 1536 NE ARG A 95 2.846 -0.198 -4.407 1.00 0.00 N ATOM 1537 CZ ARG A 95 2.594 -1.318 -3.733 1.00 0.00 C ATOM 1538 NH1 ARG A 95 2.679 -2.498 -4.334 1.00 0.00 N ATOM 1539 NH2 ARG A 95 2.256 -1.257 -2.452 1.00 0.00 N ATOM 0 H ARG A 95 3.256 -0.322 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 95 2.543 2.073 -8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.646 0.082 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.322 1.686 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.733 1.328 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.197 1.966 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.328 -0.302 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.888 -0.998 -6.038 1.00 0.00 H new ATOM 0 HE ARG A 95 2.775 0.689 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.939 -2.551 -5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.484 -3.352 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.189 -0.353 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.063 -2.114 -1.934 1.00 0.00 H new ATOM 1553 N LYS A 96 4.404 2.470 -10.695 1.00 0.00 N ATOM 1554 CA LYS A 96 4.988 3.473 -11.576 1.00 0.00 C ATOM 1555 C LYS A 96 4.048 4.665 -11.682 1.00 0.00 C ATOM 1556 O LYS A 96 4.481 5.817 -11.636 1.00 0.00 O ATOM 1557 CB LYS A 96 5.259 2.885 -12.962 1.00 0.00 C ATOM 1558 CG LYS A 96 6.487 1.991 -13.013 1.00 0.00 C ATOM 1559 CD LYS A 96 6.957 1.771 -14.442 1.00 0.00 C ATOM 1560 CE LYS A 96 8.186 0.878 -14.492 1.00 0.00 C ATOM 1561 NZ LYS A 96 9.448 1.667 -14.437 1.00 0.00 N ATOM 0 H LYS A 96 4.333 1.537 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 96 5.939 3.800 -11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.389 2.312 -13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.383 3.700 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.290 2.441 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.258 1.030 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.154 1.320 -15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.185 2.732 -14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.160 0.177 -13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.168 0.286 -15.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.263 1.022 -14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.486 2.318 -15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.478 2.213 -13.552 1.00 0.00 H new ATOM 1575 N LYS A 97 2.756 4.377 -11.782 1.00 0.00 N ATOM 1576 CA LYS A 97 1.753 5.424 -11.846 1.00 0.00 C ATOM 1577 C LYS A 97 1.668 6.091 -10.481 1.00 0.00 C ATOM 1578 O LYS A 97 1.549 7.312 -10.371 1.00 0.00 O ATOM 1579 CB LYS A 97 0.398 4.844 -12.253 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.794 5.695 -11.839 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.848 5.750 -12.933 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.817 4.583 -12.833 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.223 4.080 -14.174 1.00 0.00 N ATOM 0 H LYS A 97 2.382 3.429 -11.820 1.00 0.00 H new ATOM 0 HA LYS A 97 2.033 6.162 -12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.380 4.716 -13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.293 3.852 -11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.234 5.288 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.457 6.705 -11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.398 6.688 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.362 5.738 -13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.354 3.775 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.703 4.893 -12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.884 3.285 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.688 4.844 -14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.381 3.760 -14.694 1.00 0.00 H new ATOM 1597 N TYR A 98 1.759 5.265 -9.443 1.00 0.00 N ATOM 1598 CA TYR A 98 1.725 5.746 -8.071 1.00 0.00 C ATOM 1599 C TYR A 98 2.902 6.681 -7.807 1.00 0.00 C ATOM 1600 O TYR A 98 2.811 7.593 -6.986 1.00 0.00 O ATOM 1601 CB TYR A 98 1.780 4.566 -7.106 1.00 0.00 C ATOM 1602 CG TYR A 98 0.466 3.831 -6.919 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.675 4.181 -7.634 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.373 2.781 -6.013 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.867 3.506 -7.447 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.814 2.102 -5.824 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.930 2.468 -6.541 1.00 0.00 C ATOM 1608 OH TYR A 98 -3.115 1.795 -6.355 1.00 0.00 O ATOM 0 H TYR A 98 1.857 4.253 -9.530 1.00 0.00 H new ATOM 0 HA TYR A 98 0.796 6.296 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.528 3.858 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.120 4.925 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.629 4.992 -8.346 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.246 2.491 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.745 3.790 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.866 1.287 -5.117 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.957 0.830 -6.419 1.00 0.00 H new ATOM 1618 N GLU A 99 4.008 6.444 -8.510 1.00 0.00 N ATOM 1619 CA GLU A 99 5.206 7.261 -8.353 1.00 0.00 C ATOM 1620 C GLU A 99 5.138 8.504 -9.232 1.00 0.00 C ATOM 1621 O GLU A 99 5.548 9.589 -8.822 1.00 0.00 O ATOM 1622 CB GLU A 99 6.454 6.446 -8.698 1.00 0.00 C ATOM 1623 CG GLU A 99 6.709 5.290 -7.745 1.00 0.00 C ATOM 1624 CD GLU A 99 7.988 4.542 -8.064 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.061 4.967 -7.586 1.00 0.00 O ATOM 1626 OE2 GLU A 99 7.918 3.531 -8.795 1.00 0.00 O ATOM 0 H GLU A 99 4.098 5.692 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 99 5.264 7.578 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.354 6.056 -9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.321 7.106 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.760 5.670 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.868 4.598 -7.786 1.00 0.00 H new ATOM 1633 N ASP A 100 4.616 8.339 -10.445 1.00 0.00 N ATOM 1634 CA ASP A 100 4.492 9.451 -11.383 1.00 0.00 C ATOM 1635 C ASP A 100 3.870 10.670 -10.708 1.00 0.00 C ATOM 1636 O ASP A 100 4.290 11.805 -10.941 1.00 0.00 O ATOM 1637 CB ASP A 100 3.657 9.036 -12.587 1.00 0.00 C ATOM 1638 CG ASP A 100 3.514 10.147 -13.610 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.548 10.725 -14.006 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.369 10.439 -14.015 1.00 0.00 O ATOM 0 H ASP A 100 4.273 7.447 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 100 5.492 9.721 -11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.116 8.168 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.667 8.729 -12.249 1.00 0.00 H new ATOM 1645 N ARG A 101 2.870 10.428 -9.868 1.00 0.00 N ATOM 1646 CA ARG A 101 2.194 11.502 -9.156 1.00 0.00 C ATOM 1647 C ARG A 101 3.170 12.268 -8.276 1.00 0.00 C ATOM 1648 O ARG A 101 3.197 13.500 -8.280 1.00 0.00 O ATOM 1649 CB ARG A 101 1.060 10.941 -8.304 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.201 11.773 -8.388 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.888 11.893 -7.037 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.651 13.133 -6.919 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.801 13.358 -7.551 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.323 12.431 -8.345 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.431 14.514 -7.388 1.00 0.00 N ATOM 0 H ARG A 101 2.510 9.496 -9.664 1.00 0.00 H new ATOM 0 HA ARG A 101 1.780 12.189 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.840 9.923 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.385 10.885 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.044 12.767 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.887 11.323 -9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.554 11.042 -6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.140 11.851 -6.245 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.281 13.869 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.843 11.540 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.204 12.609 -8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.034 15.230 -6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.312 14.687 -7.872 1.00 0.00 H new ATOM 1669 N ALA A 102 3.976 11.528 -7.525 1.00 0.00 N ATOM 1670 CA ALA A 102 4.963 12.132 -6.640 1.00 0.00 C ATOM 1671 C ALA A 102 5.905 13.051 -7.411 1.00 0.00 C ATOM 1672 O ALA A 102 6.598 13.879 -6.820 1.00 0.00 O ATOM 1673 CB ALA A 102 5.749 11.050 -5.915 1.00 0.00 C ATOM 0 H ALA A 102 3.965 10.508 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 102 4.435 12.738 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.484 11.513 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.067 10.439 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.261 10.422 -6.644 1.00 0.00 H new ATOM 1679 N LYS A 103 5.922 12.908 -8.734 1.00 0.00 N ATOM 1680 CA LYS A 103 6.776 13.736 -9.574 1.00 0.00 C ATOM 1681 C LYS A 103 6.091 15.063 -9.873 1.00 0.00 C ATOM 1682 O LYS A 103 6.733 16.113 -9.907 1.00 0.00 O ATOM 1683 CB LYS A 103 7.115 13.008 -10.877 1.00 0.00 C ATOM 1684 CG LYS A 103 8.575 12.600 -10.983 1.00 0.00 C ATOM 1685 CD LYS A 103 9.050 12.600 -12.426 1.00 0.00 C ATOM 1686 CE LYS A 103 10.375 11.869 -12.577 1.00 0.00 C ATOM 1687 NZ LYS A 103 11.218 12.462 -13.651 1.00 0.00 N ATOM 0 H LYS A 103 5.356 12.229 -9.243 1.00 0.00 H new ATOM 0 HA LYS A 103 7.704 13.933 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.491 12.118 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.864 13.653 -11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.189 13.284 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.708 11.606 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.298 12.127 -13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.158 13.627 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.917 11.901 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.187 10.819 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.112 11.935 -13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.712 12.409 -14.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.420 13.457 -13.425 1.00 0.00 H new ATOM 1701 N ALA A 104 4.781 15.007 -10.077 1.00 0.00 N ATOM 1702 CA ALA A 104 4.001 16.202 -10.359 1.00 0.00 C ATOM 1703 C ALA A 104 3.830 17.038 -9.096 1.00 0.00 C ATOM 1704 O ALA A 104 3.752 18.265 -9.156 1.00 0.00 O ATOM 1705 CB ALA A 104 2.647 15.828 -10.939 1.00 0.00 C ATOM 0 H ALA A 104 4.237 14.145 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 104 4.538 16.799 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.076 16.734 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.789 15.271 -11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.103 15.211 -10.224 1.00 0.00 H new ATOM 1711 N ALA A 105 3.772 16.362 -7.951 1.00 0.00 N ATOM 1712 CA ALA A 105 3.610 17.037 -6.675 1.00 0.00 C ATOM 1713 C ALA A 105 4.960 17.432 -6.084 1.00 0.00 C ATOM 1714 O ALA A 105 5.108 18.516 -5.519 1.00 0.00 O ATOM 1715 CB ALA A 105 2.845 16.152 -5.704 1.00 0.00 C ATOM 0 H ALA A 105 3.835 15.346 -7.885 1.00 0.00 H new ATOM 0 HA ALA A 105 3.039 17.950 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.731 16.670 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.861 15.927 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.394 15.223 -5.548 1.00 0.00 H new ATOM 1721 N GLY A 106 5.941 16.543 -6.211 1.00 0.00 N ATOM 1722 CA GLY A 106 7.262 16.810 -5.680 1.00 0.00 C ATOM 1723 C GLY A 106 7.625 15.859 -4.559 1.00 0.00 C ATOM 1724 O GLY A 106 8.795 15.529 -4.364 1.00 0.00 O ATOM 0 H GLY A 106 5.842 15.640 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.998 16.726 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.305 17.836 -5.314 1.00 0.00 H new ATOM 1728 N ILE A 107 6.611 15.414 -3.826 1.00 0.00 N ATOM 1729 CA ILE A 107 6.805 14.489 -2.720 1.00 0.00 C ATOM 1730 C ILE A 107 7.456 13.196 -3.203 1.00 0.00 C ATOM 1731 O ILE A 107 6.794 12.337 -3.783 1.00 0.00 O ATOM 1732 CB ILE A 107 5.461 14.169 -2.023 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.603 12.985 -1.069 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.374 13.893 -3.053 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.655 13.197 -0.008 1.00 0.00 C ATOM 0 H ILE A 107 5.639 15.683 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 107 7.467 14.970 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 107 5.173 15.042 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.643 12.798 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.851 12.092 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.437 13.670 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.242 14.770 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.664 13.041 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.705 12.319 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.624 13.354 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.398 14.071 0.590 1.00 0.00 H new ATOM 1747 N VAL A 108 8.753 13.063 -2.953 1.00 0.00 N ATOM 1748 CA VAL A 108 9.489 11.877 -3.353 1.00 0.00 C ATOM 1749 C VAL A 108 10.204 11.253 -2.160 1.00 0.00 C ATOM 1750 O VAL A 108 10.376 11.897 -1.124 1.00 0.00 O ATOM 1751 CB VAL A 108 10.517 12.179 -4.461 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.940 10.890 -5.152 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.948 13.168 -5.468 1.00 0.00 C ATOM 0 H VAL A 108 9.315 13.766 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 108 8.756 11.174 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 108 11.397 12.632 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.666 11.117 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.390 10.217 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.067 10.412 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.690 13.367 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.052 12.748 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.694 14.099 -4.960 1.00 0.00 H new ATOM 1763 N ILE A 109 10.617 9.997 -2.307 1.00 0.00 N ATOM 1764 CA ILE A 109 11.311 9.286 -1.237 1.00 0.00 C ATOM 1765 C ILE A 109 12.415 10.151 -0.622 1.00 0.00 C ATOM 1766 O ILE A 109 13.195 10.774 -1.342 1.00 0.00 O ATOM 1767 CB ILE A 109 11.905 7.952 -1.746 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.095 6.979 -0.581 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.220 8.179 -2.481 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.793 6.555 0.064 1.00 0.00 C ATOM 0 H ILE A 109 10.483 9.450 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 109 10.574 9.065 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 109 11.202 7.514 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.621 6.093 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.731 7.445 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.613 7.223 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.050 8.833 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.939 8.644 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.000 5.865 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.276 7.433 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.164 6.061 -0.677 1.00 0.00 H new ATOM 1782 N PRO A 110 12.491 10.206 0.721 1.00 0.00 N ATOM 1783 CA PRO A 110 13.500 11.005 1.415 1.00 0.00 C ATOM 1784 C PRO A 110 14.889 10.383 1.324 1.00 0.00 C ATOM 1785 O PRO A 110 15.500 10.040 2.337 1.00 0.00 O ATOM 1786 CB PRO A 110 13.008 11.028 2.863 1.00 0.00 C ATOM 1787 CG PRO A 110 12.184 9.795 3.013 1.00 0.00 C ATOM 1788 CD PRO A 110 11.600 9.499 1.659 1.00 0.00 C ATOM 0 HA PRO A 110 13.606 11.998 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.843 11.031 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.419 11.923 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.794 8.962 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.395 9.944 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.580 8.428 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.574 9.857 1.581 1.00 0.00 H new ATOM 1796 N GLU A 111 15.379 10.243 0.098 1.00 0.00 N ATOM 1797 CA GLU A 111 16.694 9.663 -0.141 1.00 0.00 C ATOM 1798 C GLU A 111 17.796 10.657 0.202 1.00 0.00 C ATOM 1799 O GLU A 111 18.435 11.226 -0.684 1.00 0.00 O ATOM 1800 CB GLU A 111 16.828 9.211 -1.600 1.00 0.00 C ATOM 1801 CG GLU A 111 16.070 10.082 -2.593 1.00 0.00 C ATOM 1802 CD GLU A 111 16.500 9.839 -4.027 1.00 0.00 C ATOM 1803 OE1 GLU A 111 17.551 10.378 -4.431 1.00 0.00 O ATOM 1804 OE2 GLU A 111 15.785 9.109 -4.745 1.00 0.00 O ATOM 0 H GLU A 111 14.883 10.524 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 111 16.800 8.793 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.884 9.204 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.470 8.185 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.002 9.888 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 111 16.226 11.132 -2.343 1.00 0.00 H new ATOM 1811 N GLU A 112 18.014 10.859 1.497 1.00 0.00 N ATOM 1812 CA GLU A 112 19.040 11.781 1.971 1.00 0.00 C ATOM 1813 C GLU A 112 18.919 13.141 1.283 1.00 0.00 C ATOM 1814 O GLU A 112 19.497 13.303 0.188 1.00 0.00 O ATOM 1815 CB GLU A 112 20.425 11.184 1.733 1.00 0.00 C ATOM 1816 CG GLU A 112 21.569 12.174 1.904 1.00 0.00 C ATOM 1817 CD GLU A 112 21.542 12.869 3.251 1.00 0.00 C ATOM 1818 OE1 GLU A 112 21.695 12.177 4.279 1.00 0.00 O ATOM 1819 OE2 GLU A 112 21.368 14.106 3.277 1.00 0.00 O ATOM 1820 OXT GLU A 112 18.247 14.030 1.847 1.00 0.00 O ATOM 0 H GLU A 112 17.492 10.395 2.240 1.00 0.00 H new ATOM 0 HA GLU A 112 18.897 11.935 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.573 10.352 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.463 10.773 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.518 11.650 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.519 12.922 1.112 1.00 0.00 H new TER 1827 GLU A 112