USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 928 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 62 LYS NZ :NH3+ -177:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.117 USER MOD Set 1.3: A 70 THR OG1 : rot -53:sc= 1.27 USER MOD Set 2.1: A 48 HIS : no HE2:sc= 0.939 K(o=0.94,f=-2.8!) USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 SER OG : rot -91:sc= 1.18 USER MOD Set 3.2: A 25 TYR OH : rot -162:sc= 2.19 USER MOD Single : A 1 LYS N :NH3+ -140:sc= 0.0204 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= -0.0046 (180deg=-0.113) USER MOD Single : A 11 GLN : amide:sc=-0.00147 K(o=-0.0015,f=-1.3) USER MOD Single : A 12 HIS : no HE2:sc= -0.661 K(o=-0.66,f=-3!) USER MOD Single : A 13 MET CE :methyl -169:sc= -0.0113 (180deg=-0.166) USER MOD Single : A 15 SER OG : rot 90:sc= 1.13 USER MOD Single : A 17 ASN : amide:sc= 1.01 K(o=1,f=-0.08) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 150:sc= -0.0458 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0956 USER MOD Single : A 24 ASN : amide:sc= 0.437 X(o=0.44,f=-0.011) USER MOD Single : A 27 ASN : amide:sc= 0.231 K(o=0.23,f=-1.5!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 168:sc= -0.521 (180deg=-1.61) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc=-0.00069 (180deg=-0.0804) USER MOD Single : A 35 MET CE :methyl 171:sc=-0.00231 (180deg=-0.119) USER MOD Single : A 36 THR OG1 : rot 60:sc= 0.143 USER MOD Single : A 37 GLN : amide:sc= -0.81 X(o=-0.81,f=-0.79) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.00286 (180deg=-0.107) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0.868 (180deg=0.816) USER MOD Single : A 44 ASN : amide:sc= -0.454 K(o=-0.45,f=-2.3) USER MOD Single : A 45 THR OG1 : rot -117:sc= 1.23 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0698) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= -0.0902 (180deg=-0.102) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.864 K(o=0.86,f=-0.036) USER MOD Single : A 71 ASN : amide:sc= 1.13 K(o=1.1,f=-0.59) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -117:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 79 MET CE :methyl 173:sc= -0.0407 (180deg=-0.176) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 90 SER OG : rot -150:sc= 1.37 USER MOD Single : A 91 LYS NZ :NH3+ -126:sc= -0.0411 (180deg=-0.983) USER MOD Single : A 92 TYR OH : rot -172:sc= 1.88 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 143:sc= 1.18 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.3) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 0.925 (180deg=0.853) USER MOD Single : A 105 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=-0.56) USER MOD Single : A 113 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0905) USER MOD Single : A 115 SER OG : rot 180:sc= 0.18 USER MOD Single : A 119 HIS : no HE2:sc= 0.794 K(o=0.79,f=-3.2!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.311 -9.911 11.390 1.00 0.00 N ATOM 2 CA LYS A 1 -13.763 -10.992 10.550 1.00 0.00 C ATOM 3 C LYS A 1 -12.235 -10.853 10.480 1.00 0.00 C ATOM 4 O LYS A 1 -11.598 -10.611 11.502 1.00 0.00 O ATOM 5 CB LYS A 1 -14.453 -11.000 9.174 1.00 0.00 C ATOM 6 CG LYS A 1 -14.367 -12.366 8.471 1.00 0.00 C ATOM 7 CD LYS A 1 -14.473 -12.234 6.945 1.00 0.00 C ATOM 8 CE LYS A 1 -15.807 -11.616 6.510 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.905 -11.539 5.041 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.077 -10.287 11.984 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.559 -9.528 11.997 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.684 -9.154 10.782 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.971 -11.967 10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.501 -10.725 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.996 -10.241 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.424 -12.848 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.165 -13.012 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.652 -11.619 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.364 -13.218 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.632 -12.212 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.905 -10.618 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.818 -11.117 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.131 -10.951 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.836 -12.495 4.638 1.00 0.00 H new ATOM 25 N GLU A 2 -11.642 -11.011 9.292 1.00 0.00 N ATOM 26 CA GLU A 2 -10.232 -10.805 9.059 1.00 0.00 C ATOM 27 C GLU A 2 -9.810 -9.377 9.427 1.00 0.00 C ATOM 28 O GLU A 2 -10.544 -8.428 9.162 1.00 0.00 O ATOM 29 CB GLU A 2 -9.909 -11.122 7.595 1.00 0.00 C ATOM 30 CG GLU A 2 -8.420 -10.940 7.295 1.00 0.00 C ATOM 31 CD GLU A 2 -7.537 -11.880 8.109 1.00 0.00 C ATOM 32 OE1 GLU A 2 -7.410 -13.051 7.698 1.00 0.00 O ATOM 33 OE2 GLU A 2 -7.009 -11.393 9.134 1.00 0.00 O ATOM 0 H GLU A 2 -12.152 -11.292 8.455 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.664 -11.478 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.203 -12.147 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.494 -10.473 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.244 -11.111 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.135 -9.909 7.503 1.00 0.00 H new ATOM 40 N SER A 3 -8.587 -9.243 9.951 1.00 0.00 N ATOM 41 CA SER A 3 -8.011 -8.010 10.429 1.00 0.00 C ATOM 42 C SER A 3 -6.567 -7.794 9.986 1.00 0.00 C ATOM 43 O SER A 3 -6.029 -6.708 10.174 1.00 0.00 O ATOM 44 CB SER A 3 -8.091 -8.054 11.947 1.00 0.00 C ATOM 45 OG SER A 3 -9.436 -7.951 12.367 1.00 0.00 O ATOM 0 H SER A 3 -7.953 -10.036 10.052 1.00 0.00 H new ATOM 0 HA SER A 3 -8.568 -7.174 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.658 -8.984 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.506 -7.239 12.373 1.00 0.00 H new ATOM 0 HG SER A 3 -9.476 -7.982 13.346 1.00 0.00 H new ATOM 51 N ALA A 4 -5.939 -8.803 9.389 1.00 0.00 N ATOM 52 CA ALA A 4 -4.653 -8.626 8.737 1.00 0.00 C ATOM 53 C ALA A 4 -4.898 -8.041 7.352 1.00 0.00 C ATOM 54 O ALA A 4 -4.529 -6.912 7.049 1.00 0.00 O ATOM 55 CB ALA A 4 -3.928 -9.974 8.625 1.00 0.00 C ATOM 0 H ALA A 4 -6.305 -9.754 9.345 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.026 -7.952 9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.965 -9.830 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.770 -10.386 9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.534 -10.665 8.039 1.00 0.00 H new ATOM 61 N ALA A 5 -5.556 -8.837 6.513 1.00 0.00 N ATOM 62 CA ALA A 5 -5.585 -8.610 5.081 1.00 0.00 C ATOM 63 C ALA A 5 -6.632 -7.595 4.677 1.00 0.00 C ATOM 64 O ALA A 5 -6.331 -6.690 3.912 1.00 0.00 O ATOM 65 CB ALA A 5 -5.786 -9.929 4.347 1.00 0.00 C ATOM 0 H ALA A 5 -6.083 -9.657 6.813 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.621 -8.188 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.806 -9.748 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.966 -10.607 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.730 -10.378 4.657 1.00 0.00 H new ATOM 71 N ALA A 6 -7.859 -7.723 5.184 1.00 0.00 N ATOM 72 CA ALA A 6 -8.905 -6.760 4.868 1.00 0.00 C ATOM 73 C ALA A 6 -8.434 -5.354 5.239 1.00 0.00 C ATOM 74 O ALA A 6 -8.587 -4.412 4.469 1.00 0.00 O ATOM 75 CB ALA A 6 -10.192 -7.131 5.607 1.00 0.00 C ATOM 0 H ALA A 6 -8.147 -8.477 5.808 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.115 -6.778 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.971 -6.407 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.514 -8.126 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.009 -7.124 6.682 1.00 0.00 H new ATOM 81 N LYS A 7 -7.817 -5.245 6.415 1.00 0.00 N ATOM 82 CA LYS A 7 -7.274 -4.022 6.968 1.00 0.00 C ATOM 83 C LYS A 7 -6.124 -3.538 6.085 1.00 0.00 C ATOM 84 O LYS A 7 -6.146 -2.407 5.601 1.00 0.00 O ATOM 85 CB LYS A 7 -6.828 -4.298 8.410 1.00 0.00 C ATOM 86 CG LYS A 7 -7.099 -3.126 9.351 1.00 0.00 C ATOM 87 CD LYS A 7 -6.306 -1.863 8.988 1.00 0.00 C ATOM 88 CE LYS A 7 -6.580 -0.715 9.968 1.00 0.00 C ATOM 89 NZ LYS A 7 -6.107 -1.021 11.329 1.00 0.00 N ATOM 0 H LYS A 7 -7.680 -6.047 7.030 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.022 -3.229 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.345 -5.183 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.762 -4.525 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.164 -2.895 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.851 -3.422 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.240 -2.092 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.567 -1.548 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.090 0.191 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.650 -0.510 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.173 -0.167 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.696 -1.773 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.118 -1.339 11.289 1.00 0.00 H new ATOM 103 N PHE A 8 -5.137 -4.411 5.857 1.00 0.00 N ATOM 104 CA PHE A 8 -4.016 -4.137 4.974 1.00 0.00 C ATOM 105 C PHE A 8 -4.513 -3.552 3.654 1.00 0.00 C ATOM 106 O PHE A 8 -4.082 -2.470 3.272 1.00 0.00 O ATOM 107 CB PHE A 8 -3.203 -5.412 4.729 1.00 0.00 C ATOM 108 CG PHE A 8 -2.051 -5.254 3.755 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.057 -4.281 3.972 1.00 0.00 C ATOM 110 CD2 PHE A 8 -1.969 -6.090 2.628 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.010 -4.125 3.048 1.00 0.00 C ATOM 112 CE2 PHE A 8 -0.915 -5.947 1.713 1.00 0.00 C ATOM 113 CZ PHE A 8 0.055 -4.954 1.915 1.00 0.00 C ATOM 0 H PHE A 8 -5.101 -5.335 6.288 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.366 -3.405 5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.809 -5.764 5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.872 -6.187 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.099 -3.654 4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.722 -6.847 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.744 -3.369 3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.851 -6.600 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.853 -4.826 1.199 1.00 0.00 H new ATOM 123 N GLU A 9 -5.439 -4.231 2.975 1.00 0.00 N ATOM 124 CA GLU A 9 -5.943 -3.799 1.693 1.00 0.00 C ATOM 125 C GLU A 9 -6.747 -2.512 1.838 1.00 0.00 C ATOM 126 O GLU A 9 -6.618 -1.650 0.982 1.00 0.00 O ATOM 127 CB GLU A 9 -6.747 -4.934 1.042 1.00 0.00 C ATOM 128 CG GLU A 9 -5.996 -5.497 -0.171 1.00 0.00 C ATOM 129 CD GLU A 9 -4.624 -6.025 0.230 1.00 0.00 C ATOM 130 OE1 GLU A 9 -4.610 -7.066 0.918 1.00 0.00 O ATOM 131 OE2 GLU A 9 -3.624 -5.378 -0.149 1.00 0.00 O ATOM 0 H GLU A 9 -5.856 -5.100 3.310 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.110 -3.569 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.922 -5.727 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.724 -4.564 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.579 -6.299 -0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.883 -4.719 -0.926 1.00 0.00 H new ATOM 138 N ARG A 10 -7.540 -2.354 2.904 1.00 0.00 N ATOM 139 CA ARG A 10 -8.263 -1.115 3.180 1.00 0.00 C ATOM 140 C ARG A 10 -7.358 0.094 2.948 1.00 0.00 C ATOM 141 O ARG A 10 -7.722 1.008 2.212 1.00 0.00 O ATOM 142 CB ARG A 10 -8.791 -1.092 4.629 1.00 0.00 C ATOM 143 CG ARG A 10 -10.291 -0.799 4.747 1.00 0.00 C ATOM 144 CD ARG A 10 -11.150 -1.927 4.156 1.00 0.00 C ATOM 145 NE ARG A 10 -12.484 -1.965 4.772 1.00 0.00 N ATOM 146 CZ ARG A 10 -13.464 -1.072 4.574 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.296 -0.056 3.723 1.00 0.00 N ATOM 148 NH2 ARG A 10 -14.615 -1.206 5.240 1.00 0.00 N ATOM 0 H ARG A 10 -7.696 -3.085 3.598 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.112 -1.067 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.583 -2.055 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.240 -0.339 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.551 -0.658 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.519 0.136 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.249 -1.785 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.651 -2.884 4.307 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.681 -2.739 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.416 0.045 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.048 0.618 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.740 -1.981 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.368 -0.533 5.098 1.00 0.00 H new ATOM 162 N GLN A 11 -6.202 0.106 3.616 1.00 0.00 N ATOM 163 CA GLN A 11 -5.265 1.221 3.554 1.00 0.00 C ATOM 164 C GLN A 11 -4.400 1.138 2.291 1.00 0.00 C ATOM 165 O GLN A 11 -4.258 2.117 1.558 1.00 0.00 O ATOM 166 CB GLN A 11 -4.408 1.310 4.833 1.00 0.00 C ATOM 167 CG GLN A 11 -4.406 0.077 5.746 1.00 0.00 C ATOM 168 CD GLN A 11 -3.469 0.246 6.937 1.00 0.00 C ATOM 169 OE1 GLN A 11 -3.897 0.204 8.085 1.00 0.00 O ATOM 170 NE2 GLN A 11 -2.176 0.429 6.682 1.00 0.00 N ATOM 0 H GLN A 11 -5.893 -0.660 4.215 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.843 2.143 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.379 1.518 4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.753 2.164 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.418 -0.109 6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.106 -0.799 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.846 0.460 5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.515 0.538 7.451 1.00 0.00 H new ATOM 179 N HIS A 12 -3.784 -0.023 2.069 1.00 0.00 N ATOM 180 CA HIS A 12 -2.786 -0.237 1.034 1.00 0.00 C ATOM 181 C HIS A 12 -3.388 -0.128 -0.361 1.00 0.00 C ATOM 182 O HIS A 12 -2.771 0.442 -1.249 1.00 0.00 O ATOM 183 CB HIS A 12 -2.115 -1.608 1.204 1.00 0.00 C ATOM 184 CG HIS A 12 -1.000 -1.866 0.219 1.00 0.00 C ATOM 185 ND1 HIS A 12 -0.048 -0.951 -0.182 1.00 0.00 N ATOM 186 CD2 HIS A 12 -0.778 -3.033 -0.458 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.765 -1.564 -1.060 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.339 -2.828 -1.244 1.00 0.00 N ATOM 0 H HIS A 12 -3.974 -0.859 2.621 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.036 0.547 1.142 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.718 -1.685 2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.870 -2.387 1.097 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.026 0.017 0.131 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.362 -3.939 -0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.622 -1.115 -1.540 1.00 0.00 H new ATOM 197 N MET A 13 -4.561 -0.715 -0.589 1.00 0.00 N ATOM 198 CA MET A 13 -5.181 -0.780 -1.899 1.00 0.00 C ATOM 199 C MET A 13 -6.353 0.189 -1.930 1.00 0.00 C ATOM 200 O MET A 13 -7.324 0.038 -1.192 1.00 0.00 O ATOM 201 CB MET A 13 -5.564 -2.235 -2.202 1.00 0.00 C ATOM 202 CG MET A 13 -5.927 -2.481 -3.671 1.00 0.00 C ATOM 203 SD MET A 13 -7.422 -1.694 -4.321 1.00 0.00 S ATOM 204 CE MET A 13 -8.686 -2.420 -3.255 1.00 0.00 C ATOM 0 H MET A 13 -5.110 -1.163 0.145 1.00 0.00 H new ATOM 0 HA MET A 13 -4.497 -0.473 -2.690 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.733 -2.885 -1.928 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.410 -2.517 -1.575 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.085 -2.155 -4.282 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.027 -3.557 -3.815 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.674 -2.188 -3.652 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.554 -3.501 -3.219 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.594 -2.009 -2.250 1.00 0.00 H new ATOM 214 N ASP A 14 -6.244 1.208 -2.778 1.00 0.00 N ATOM 215 CA ASP A 14 -7.196 2.297 -2.832 1.00 0.00 C ATOM 216 C ASP A 14 -7.590 2.492 -4.288 1.00 0.00 C ATOM 217 O ASP A 14 -7.087 3.382 -4.972 1.00 0.00 O ATOM 218 CB ASP A 14 -6.580 3.532 -2.167 1.00 0.00 C ATOM 219 CG ASP A 14 -7.622 4.580 -1.798 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.480 4.874 -2.657 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.540 5.071 -0.649 1.00 0.00 O ATOM 0 H ASP A 14 -5.482 1.295 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.111 2.089 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.043 3.227 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.847 3.975 -2.841 1.00 0.00 H new ATOM 226 N SER A 15 -8.463 1.605 -4.768 1.00 0.00 N ATOM 227 CA SER A 15 -9.006 1.667 -6.114 1.00 0.00 C ATOM 228 C SER A 15 -9.695 3.020 -6.299 1.00 0.00 C ATOM 229 O SER A 15 -10.703 3.287 -5.646 1.00 0.00 O ATOM 230 CB SER A 15 -9.989 0.509 -6.341 1.00 0.00 C ATOM 231 OG SER A 15 -10.080 0.222 -7.721 1.00 0.00 O ATOM 0 H SER A 15 -8.813 0.817 -4.223 1.00 0.00 H new ATOM 0 HA SER A 15 -8.206 1.569 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.655 -0.375 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.972 0.772 -5.949 1.00 0.00 H new ATOM 0 HG SER A 15 -9.403 -0.444 -7.962 1.00 0.00 H new ATOM 237 N GLY A 16 -9.148 3.878 -7.158 1.00 0.00 N ATOM 238 CA GLY A 16 -9.671 5.206 -7.403 1.00 0.00 C ATOM 239 C GLY A 16 -9.316 5.600 -8.828 1.00 0.00 C ATOM 240 O GLY A 16 -8.259 5.228 -9.331 1.00 0.00 O ATOM 0 H GLY A 16 -8.317 3.660 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.752 5.221 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.247 5.918 -6.695 1.00 0.00 H new ATOM 244 N ASN A 17 -10.206 6.351 -9.478 1.00 0.00 N ATOM 245 CA ASN A 17 -10.079 6.728 -10.885 1.00 0.00 C ATOM 246 C ASN A 17 -9.233 7.994 -11.063 1.00 0.00 C ATOM 247 O ASN A 17 -9.169 8.547 -12.157 1.00 0.00 O ATOM 248 CB ASN A 17 -11.490 6.937 -11.456 1.00 0.00 C ATOM 249 CG ASN A 17 -11.603 6.580 -12.939 1.00 0.00 C ATOM 250 OD1 ASN A 17 -12.325 5.656 -13.299 1.00 0.00 O ATOM 251 ND2 ASN A 17 -10.911 7.296 -13.817 1.00 0.00 N ATOM 0 H ASN A 17 -11.047 6.720 -9.035 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.566 5.931 -11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.197 6.331 -10.889 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.780 7.979 -11.317 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.974 7.082 -14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.316 8.060 -13.496 1.00 0.00 H new ATOM 258 N SER A 18 -8.627 8.487 -9.980 1.00 0.00 N ATOM 259 CA SER A 18 -7.930 9.764 -9.939 1.00 0.00 C ATOM 260 C SER A 18 -6.414 9.515 -9.919 1.00 0.00 C ATOM 261 O SER A 18 -5.894 9.112 -8.879 1.00 0.00 O ATOM 262 CB SER A 18 -8.411 10.545 -8.706 1.00 0.00 C ATOM 263 OG SER A 18 -8.077 11.913 -8.815 1.00 0.00 O ATOM 0 H SER A 18 -8.610 7.993 -9.088 1.00 0.00 H new ATOM 0 HA SER A 18 -8.149 10.361 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.491 10.437 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.959 10.127 -7.806 1.00 0.00 H new ATOM 0 HG SER A 18 -7.198 12.068 -8.410 1.00 0.00 H new ATOM 269 N PRO A 19 -5.694 9.712 -11.038 1.00 0.00 N ATOM 270 CA PRO A 19 -4.246 9.576 -11.082 1.00 0.00 C ATOM 271 C PRO A 19 -3.580 10.842 -10.528 1.00 0.00 C ATOM 272 O PRO A 19 -4.262 11.764 -10.078 1.00 0.00 O ATOM 273 CB PRO A 19 -3.928 9.365 -12.566 1.00 0.00 C ATOM 274 CG PRO A 19 -4.983 10.232 -13.253 1.00 0.00 C ATOM 275 CD PRO A 19 -6.208 10.064 -12.353 1.00 0.00 C ATOM 0 HA PRO A 19 -3.873 8.752 -10.473 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.916 9.684 -12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.012 8.317 -12.855 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.669 11.274 -13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.181 9.896 -14.271 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.790 10.984 -12.311 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.869 9.286 -12.735 1.00 0.00 H new ATOM 283 N SER A 20 -2.246 10.900 -10.594 1.00 0.00 N ATOM 284 CA SER A 20 -1.407 11.975 -10.110 1.00 0.00 C ATOM 285 C SER A 20 -1.307 11.968 -8.586 1.00 0.00 C ATOM 286 O SER A 20 -2.150 11.406 -7.885 1.00 0.00 O ATOM 287 CB SER A 20 -1.821 13.325 -10.692 1.00 0.00 C ATOM 288 OG SER A 20 -0.791 14.272 -10.485 1.00 0.00 O ATOM 0 H SER A 20 -1.701 10.147 -11.014 1.00 0.00 H new ATOM 0 HA SER A 20 -0.395 11.799 -10.474 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.026 13.224 -11.758 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.742 13.667 -10.221 1.00 0.00 H new ATOM 0 HG SER A 20 -1.060 15.136 -10.861 1.00 0.00 H new ATOM 294 N SER A 21 -0.244 12.582 -8.078 1.00 0.00 N ATOM 295 CA SER A 21 -0.010 12.760 -6.660 1.00 0.00 C ATOM 296 C SER A 21 0.928 13.946 -6.435 1.00 0.00 C ATOM 297 O SER A 21 1.862 14.165 -7.204 1.00 0.00 O ATOM 298 CB SER A 21 0.530 11.464 -6.037 1.00 0.00 C ATOM 299 OG SER A 21 1.763 11.089 -6.617 1.00 0.00 O ATOM 0 H SER A 21 0.494 12.978 -8.660 1.00 0.00 H new ATOM 0 HA SER A 21 -0.952 12.984 -6.160 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.658 11.600 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.196 10.663 -6.173 1.00 0.00 H new ATOM 0 HG SER A 21 2.303 10.609 -5.955 1.00 0.00 H new ATOM 305 N SER A 22 0.653 14.689 -5.364 1.00 0.00 N ATOM 306 CA SER A 22 1.454 15.766 -4.806 1.00 0.00 C ATOM 307 C SER A 22 1.217 15.680 -3.298 1.00 0.00 C ATOM 308 O SER A 22 0.177 15.158 -2.899 1.00 0.00 O ATOM 309 CB SER A 22 0.970 17.118 -5.346 1.00 0.00 C ATOM 310 OG SER A 22 1.006 17.130 -6.760 1.00 0.00 O ATOM 0 H SER A 22 -0.201 14.539 -4.827 1.00 0.00 H new ATOM 0 HA SER A 22 2.509 15.679 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.046 17.311 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.598 17.918 -4.954 1.00 0.00 H new ATOM 0 HG SER A 22 0.693 17.999 -7.088 1.00 0.00 H new ATOM 316 N SER A 23 2.132 16.156 -2.453 1.00 0.00 N ATOM 317 CA SER A 23 2.045 15.988 -1.006 1.00 0.00 C ATOM 318 C SER A 23 0.634 16.275 -0.478 1.00 0.00 C ATOM 319 O SER A 23 0.015 15.429 0.171 1.00 0.00 O ATOM 320 CB SER A 23 3.110 16.877 -0.356 1.00 0.00 C ATOM 321 OG SER A 23 4.271 16.849 -1.170 1.00 0.00 O ATOM 0 H SER A 23 2.958 16.671 -2.757 1.00 0.00 H new ATOM 0 HA SER A 23 2.240 14.948 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.742 17.898 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.341 16.520 0.648 1.00 0.00 H new ATOM 0 HG SER A 23 4.964 17.415 -0.770 1.00 0.00 H new ATOM 327 N ASN A 24 0.093 17.450 -0.809 1.00 0.00 N ATOM 328 CA ASN A 24 -1.230 17.861 -0.354 1.00 0.00 C ATOM 329 C ASN A 24 -2.321 16.890 -0.807 1.00 0.00 C ATOM 330 O ASN A 24 -3.297 16.695 -0.087 1.00 0.00 O ATOM 331 CB ASN A 24 -1.538 19.294 -0.816 1.00 0.00 C ATOM 332 CG ASN A 24 -2.571 20.021 0.055 1.00 0.00 C ATOM 333 OD1 ASN A 24 -2.372 21.182 0.387 1.00 0.00 O ATOM 334 ND2 ASN A 24 -3.672 19.383 0.441 1.00 0.00 N ATOM 0 H ASN A 24 0.561 18.139 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.222 17.842 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.613 19.870 -0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.901 19.264 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.362 19.861 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.827 18.415 0.158 1.00 0.00 H new ATOM 341 N TYR A 25 -2.165 16.272 -1.980 1.00 0.00 N ATOM 342 CA TYR A 25 -3.080 15.254 -2.478 1.00 0.00 C ATOM 343 C TYR A 25 -3.140 14.120 -1.455 1.00 0.00 C ATOM 344 O TYR A 25 -4.217 13.679 -1.064 1.00 0.00 O ATOM 345 CB TYR A 25 -2.572 14.755 -3.843 1.00 0.00 C ATOM 346 CG TYR A 25 -3.576 14.150 -4.806 1.00 0.00 C ATOM 347 CD1 TYR A 25 -4.387 13.066 -4.415 1.00 0.00 C ATOM 348 CD2 TYR A 25 -3.493 14.494 -6.170 1.00 0.00 C ATOM 349 CE1 TYR A 25 -5.112 12.344 -5.378 1.00 0.00 C ATOM 350 CE2 TYR A 25 -4.189 13.748 -7.133 1.00 0.00 C ATOM 351 CZ TYR A 25 -4.968 12.649 -6.739 1.00 0.00 C ATOM 352 OH TYR A 25 -5.570 11.870 -7.675 1.00 0.00 O ATOM 0 H TYR A 25 -1.391 16.469 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.084 15.655 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.092 15.594 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.798 14.010 -3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.451 12.790 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.890 15.336 -6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.780 11.554 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.125 14.019 -8.176 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.157 12.031 -8.549 1.00 0.00 H new ATOM 362 N CYS A 26 -1.974 13.657 -0.997 1.00 0.00 N ATOM 363 CA CYS A 26 -1.922 12.525 -0.079 1.00 0.00 C ATOM 364 C CYS A 26 -2.420 12.937 1.302 1.00 0.00 C ATOM 365 O CYS A 26 -3.182 12.207 1.931 1.00 0.00 O ATOM 366 CB CYS A 26 -0.519 11.934 0.013 1.00 0.00 C ATOM 367 SG CYS A 26 -0.412 10.701 1.329 1.00 0.00 S ATOM 0 H CYS A 26 -1.064 14.046 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.578 11.750 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.251 11.477 -0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.202 12.730 0.198 1.00 0.00 H new ATOM 372 N ASN A 27 -2.008 14.116 1.773 1.00 0.00 N ATOM 373 CA ASN A 27 -2.471 14.633 3.058 1.00 0.00 C ATOM 374 C ASN A 27 -4.003 14.717 3.044 1.00 0.00 C ATOM 375 O ASN A 27 -4.666 14.251 3.971 1.00 0.00 O ATOM 376 CB ASN A 27 -1.834 15.992 3.386 1.00 0.00 C ATOM 377 CG ASN A 27 -0.370 15.870 3.814 1.00 0.00 C ATOM 378 OD1 ASN A 27 -0.036 16.054 4.978 1.00 0.00 O ATOM 379 ND2 ASN A 27 0.525 15.544 2.887 1.00 0.00 N ATOM 0 H ASN A 27 -1.356 14.728 1.283 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.159 13.949 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.900 16.640 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.402 16.472 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.508 15.443 3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.229 15.394 1.922 1.00 0.00 H new ATOM 386 N LEU A 28 -4.568 15.268 1.964 1.00 0.00 N ATOM 387 CA LEU A 28 -6.007 15.294 1.746 1.00 0.00 C ATOM 388 C LEU A 28 -6.572 13.873 1.778 1.00 0.00 C ATOM 389 O LEU A 28 -7.523 13.619 2.506 1.00 0.00 O ATOM 390 CB LEU A 28 -6.335 16.011 0.428 1.00 0.00 C ATOM 391 CG LEU A 28 -7.829 15.979 0.063 1.00 0.00 C ATOM 392 CD1 LEU A 28 -8.693 16.693 1.110 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.027 16.648 -1.301 1.00 0.00 C ATOM 0 H LEU A 28 -4.032 15.709 1.217 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.482 15.856 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.009 17.049 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.763 15.551 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.144 14.936 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.740 16.646 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.569 16.206 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.384 17.736 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.084 16.629 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.684 17.681 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.454 16.111 -2.056 1.00 0.00 H new ATOM 405 N MET A 29 -5.997 12.945 1.008 1.00 0.00 N ATOM 406 CA MET A 29 -6.459 11.563 0.965 1.00 0.00 C ATOM 407 C MET A 29 -6.552 10.977 2.380 1.00 0.00 C ATOM 408 O MET A 29 -7.567 10.390 2.752 1.00 0.00 O ATOM 409 CB MET A 29 -5.532 10.727 0.067 1.00 0.00 C ATOM 410 CG MET A 29 -6.210 9.439 -0.415 1.00 0.00 C ATOM 411 SD MET A 29 -7.539 9.709 -1.617 1.00 0.00 S ATOM 412 CE MET A 29 -8.043 8.004 -1.918 1.00 0.00 C ATOM 0 H MET A 29 -5.200 13.134 0.400 1.00 0.00 H new ATOM 0 HA MET A 29 -7.461 11.537 0.536 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.229 11.322 -0.795 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.625 10.476 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.457 8.790 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.616 8.910 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.859 7.988 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.198 7.439 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.377 7.553 -0.984 1.00 0.00 H new ATOM 422 N MET A 30 -5.496 11.156 3.177 1.00 0.00 N ATOM 423 CA MET A 30 -5.437 10.676 4.550 1.00 0.00 C ATOM 424 C MET A 30 -6.516 11.353 5.405 1.00 0.00 C ATOM 425 O MET A 30 -7.192 10.697 6.197 1.00 0.00 O ATOM 426 CB MET A 30 -4.048 10.949 5.135 1.00 0.00 C ATOM 427 CG MET A 30 -2.889 10.305 4.359 1.00 0.00 C ATOM 428 SD MET A 30 -2.202 8.820 5.131 1.00 0.00 S ATOM 429 CE MET A 30 -0.768 8.562 4.070 1.00 0.00 C ATOM 0 H MET A 30 -4.651 11.644 2.879 1.00 0.00 H new ATOM 0 HA MET A 30 -5.621 9.602 4.554 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.889 12.027 5.171 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.024 10.588 6.163 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.236 10.051 3.357 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.093 11.040 4.244 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.110 7.820 4.522 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.097 8.208 3.093 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.228 9.502 3.953 1.00 0.00 H new ATOM 439 N CYS A 31 -6.675 12.671 5.257 1.00 0.00 N ATOM 440 CA CYS A 31 -7.700 13.430 5.967 1.00 0.00 C ATOM 441 C CYS A 31 -9.102 12.906 5.644 1.00 0.00 C ATOM 442 O CYS A 31 -9.876 12.615 6.551 1.00 0.00 O ATOM 443 CB CYS A 31 -7.583 14.919 5.638 1.00 0.00 C ATOM 444 SG CYS A 31 -8.900 15.792 6.515 1.00 0.00 S ATOM 0 H CYS A 31 -6.095 13.239 4.640 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.539 13.299 7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.607 15.300 5.939 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.670 15.079 4.563 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.825 17.064 6.256 1.00 0.00 H new ATOM 450 N CYS A 32 -9.416 12.744 4.357 1.00 0.00 N ATOM 451 CA CYS A 32 -10.682 12.200 3.880 1.00 0.00 C ATOM 452 C CYS A 32 -10.890 10.788 4.422 1.00 0.00 C ATOM 453 O CYS A 32 -11.968 10.463 4.914 1.00 0.00 O ATOM 454 CB CYS A 32 -10.703 12.185 2.347 1.00 0.00 C ATOM 455 SG CYS A 32 -10.999 13.847 1.703 1.00 0.00 S ATOM 0 H CYS A 32 -8.778 12.995 3.601 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.493 12.834 4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.754 11.805 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.481 11.508 1.995 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.011 13.813 0.403 1.00 0.00 H new ATOM 461 N ARG A 33 -9.853 9.950 4.335 1.00 0.00 N ATOM 462 CA ARG A 33 -9.842 8.623 4.937 1.00 0.00 C ATOM 463 C ARG A 33 -10.137 8.714 6.441 1.00 0.00 C ATOM 464 O ARG A 33 -10.787 7.832 6.997 1.00 0.00 O ATOM 465 CB ARG A 33 -8.485 7.960 4.652 1.00 0.00 C ATOM 466 CG ARG A 33 -8.302 6.590 5.317 1.00 0.00 C ATOM 467 CD ARG A 33 -9.203 5.503 4.732 1.00 0.00 C ATOM 468 NE ARG A 33 -8.793 5.163 3.360 1.00 0.00 N ATOM 469 CZ ARG A 33 -8.661 3.914 2.892 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.118 2.870 3.585 1.00 0.00 N ATOM 471 NH2 ARG A 33 -8.055 3.679 1.726 1.00 0.00 N ATOM 0 H ARG A 33 -8.992 10.180 3.839 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.626 8.005 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.368 7.847 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.690 8.625 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.261 6.282 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.504 6.683 6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.160 4.613 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.238 5.844 4.732 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.595 5.932 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.576 3.016 4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.010 1.926 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.685 4.456 1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.962 2.723 1.383 1.00 0.00 H new ATOM 485 N LYS A 34 -9.641 9.771 7.089 1.00 0.00 N ATOM 486 CA LYS A 34 -9.876 10.093 8.489 1.00 0.00 C ATOM 487 C LYS A 34 -9.178 9.070 9.389 1.00 0.00 C ATOM 488 O LYS A 34 -9.671 8.722 10.460 1.00 0.00 O ATOM 489 CB LYS A 34 -11.383 10.250 8.760 1.00 0.00 C ATOM 490 CG LYS A 34 -11.678 11.066 10.025 1.00 0.00 C ATOM 491 CD LYS A 34 -13.194 11.159 10.240 1.00 0.00 C ATOM 492 CE LYS A 34 -13.548 11.940 11.512 1.00 0.00 C ATOM 493 NZ LYS A 34 -13.086 11.249 12.730 1.00 0.00 N ATOM 0 H LYS A 34 -9.039 10.453 6.627 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.432 11.059 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.853 10.733 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.835 9.263 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.207 10.598 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.252 12.065 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.653 11.643 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.613 10.155 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.099 12.932 11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.628 12.081 11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.474 11.726 13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.410 10.261 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.047 11.272 12.769 1.00 0.00 H new ATOM 507 N MET A 35 -7.989 8.621 8.972 1.00 0.00 N ATOM 508 CA MET A 35 -7.159 7.745 9.790 1.00 0.00 C ATOM 509 C MET A 35 -6.288 8.595 10.724 1.00 0.00 C ATOM 510 O MET A 35 -5.814 8.126 11.755 1.00 0.00 O ATOM 511 CB MET A 35 -6.320 6.840 8.874 1.00 0.00 C ATOM 512 CG MET A 35 -5.856 5.550 9.572 1.00 0.00 C ATOM 513 SD MET A 35 -7.135 4.367 10.080 1.00 0.00 S ATOM 514 CE MET A 35 -7.891 3.945 8.493 1.00 0.00 C ATOM 0 H MET A 35 -7.582 8.855 8.066 1.00 0.00 H new ATOM 0 HA MET A 35 -7.778 7.101 10.414 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.906 6.580 7.993 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.448 7.393 8.525 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.167 5.034 8.903 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.288 5.833 10.458 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.582 3.113 8.629 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.434 4.808 8.108 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.114 3.660 7.784 1.00 0.00 H new ATOM 524 N THR A 36 -6.084 9.865 10.370 1.00 0.00 N ATOM 525 CA THR A 36 -5.158 10.814 10.957 1.00 0.00 C ATOM 526 C THR A 36 -5.764 11.465 12.200 1.00 0.00 C ATOM 527 O THR A 36 -5.631 12.667 12.424 1.00 0.00 O ATOM 528 CB THR A 36 -4.879 11.850 9.861 1.00 0.00 C ATOM 529 OG1 THR A 36 -6.101 12.198 9.232 1.00 0.00 O ATOM 530 CG2 THR A 36 -3.989 11.208 8.803 1.00 0.00 C ATOM 0 H THR A 36 -6.609 10.283 9.602 1.00 0.00 H new ATOM 0 HA THR A 36 -4.238 10.332 11.287 1.00 0.00 H new ATOM 0 HB THR A 36 -4.404 12.729 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.716 12.572 9.897 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.780 11.932 8.015 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.052 10.889 9.260 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.497 10.343 8.376 1.00 0.00 H new ATOM 538 N GLN A 37 -6.462 10.672 13.005 1.00 0.00 N ATOM 539 CA GLN A 37 -7.058 11.150 14.242 1.00 0.00 C ATOM 540 C GLN A 37 -5.946 11.348 15.280 1.00 0.00 C ATOM 541 O GLN A 37 -5.340 10.375 15.730 1.00 0.00 O ATOM 542 CB GLN A 37 -8.141 10.156 14.703 1.00 0.00 C ATOM 543 CG GLN A 37 -9.193 10.796 15.622 1.00 0.00 C ATOM 544 CD GLN A 37 -8.604 11.442 16.871 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.739 12.643 17.078 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.926 10.664 17.708 1.00 0.00 N ATOM 0 H GLN A 37 -6.629 9.683 12.817 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.550 12.112 14.100 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.638 9.737 13.828 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.666 9.327 15.227 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.744 11.550 15.059 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.912 10.034 15.923 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.828 9.668 17.513 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.503 11.063 18.546 1.00 0.00 H new ATOM 555 N GLY A 38 -5.667 12.594 15.676 1.00 0.00 N ATOM 556 CA GLY A 38 -4.785 12.903 16.798 1.00 0.00 C ATOM 557 C GLY A 38 -3.303 12.827 16.428 1.00 0.00 C ATOM 558 O GLY A 38 -2.543 13.740 16.738 1.00 0.00 O ATOM 0 H GLY A 38 -6.052 13.421 15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.011 13.903 17.167 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.987 12.209 17.614 1.00 0.00 H new ATOM 562 N LYS A 39 -2.888 11.739 15.782 1.00 0.00 N ATOM 563 CA LYS A 39 -1.559 11.569 15.212 1.00 0.00 C ATOM 564 C LYS A 39 -1.696 11.260 13.722 1.00 0.00 C ATOM 565 O LYS A 39 -2.809 11.162 13.202 1.00 0.00 O ATOM 566 CB LYS A 39 -0.808 10.459 15.958 1.00 0.00 C ATOM 567 CG LYS A 39 -0.564 10.839 17.423 1.00 0.00 C ATOM 568 CD LYS A 39 0.270 9.753 18.114 1.00 0.00 C ATOM 569 CE LYS A 39 0.543 10.098 19.583 1.00 0.00 C ATOM 570 NZ LYS A 39 1.372 11.310 19.719 1.00 0.00 N ATOM 0 H LYS A 39 -3.489 10.927 15.638 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.979 12.485 15.322 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.382 9.534 15.911 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.146 10.268 15.466 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.046 11.797 17.478 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.516 10.961 17.939 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.254 8.799 18.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.216 9.630 17.587 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.404 10.245 20.103 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.045 9.259 20.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.675 11.414 20.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.209 11.228 19.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.817 12.143 19.437 1.00 0.00 H new ATOM 584 N CYS A 40 -0.561 11.100 13.040 1.00 0.00 N ATOM 585 CA CYS A 40 -0.491 10.723 11.637 1.00 0.00 C ATOM 586 C CYS A 40 0.271 9.403 11.512 1.00 0.00 C ATOM 587 O CYS A 40 0.979 8.997 12.431 1.00 0.00 O ATOM 588 CB CYS A 40 0.121 11.857 10.812 1.00 0.00 C ATOM 589 SG CYS A 40 -1.119 12.938 10.065 1.00 0.00 S ATOM 0 H CYS A 40 0.357 11.234 13.464 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.490 10.562 11.233 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.775 12.451 11.450 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.744 11.431 10.026 1.00 0.00 H new ATOM 594 N LYS A 41 0.032 8.697 10.408 1.00 0.00 N ATOM 595 CA LYS A 41 0.452 7.319 10.187 1.00 0.00 C ATOM 596 C LYS A 41 1.870 7.300 9.606 1.00 0.00 C ATOM 597 O LYS A 41 2.276 8.283 8.996 1.00 0.00 O ATOM 598 CB LYS A 41 -0.545 6.656 9.221 1.00 0.00 C ATOM 599 CG LYS A 41 -1.907 6.298 9.841 1.00 0.00 C ATOM 600 CD LYS A 41 -2.706 7.498 10.379 1.00 0.00 C ATOM 601 CE LYS A 41 -2.577 7.658 11.902 1.00 0.00 C ATOM 602 NZ LYS A 41 -3.473 6.736 12.622 1.00 0.00 N ATOM 0 H LYS A 41 -0.479 9.086 9.615 1.00 0.00 H new ATOM 0 HA LYS A 41 0.464 6.767 11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.711 7.326 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.093 5.747 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.509 5.786 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.745 5.592 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.359 8.409 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.757 7.377 10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.546 7.472 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.810 8.685 12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.253 6.761 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.461 7.026 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.338 5.770 12.262 1.00 0.00 H new ATOM 616 N PRO A 42 2.632 6.204 9.765 1.00 0.00 N ATOM 617 CA PRO A 42 4.003 6.119 9.282 1.00 0.00 C ATOM 618 C PRO A 42 4.085 6.055 7.751 1.00 0.00 C ATOM 619 O PRO A 42 4.846 6.807 7.146 1.00 0.00 O ATOM 620 CB PRO A 42 4.599 4.876 9.952 1.00 0.00 C ATOM 621 CG PRO A 42 3.385 4.001 10.264 1.00 0.00 C ATOM 622 CD PRO A 42 2.283 5.025 10.543 1.00 0.00 C ATOM 0 HA PRO A 42 4.567 7.016 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.300 4.365 9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.146 5.136 10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.130 3.352 9.426 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.563 3.356 11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.307 4.638 10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.227 5.260 11.606 1.00 0.00 H new ATOM 630 N VAL A 43 3.351 5.136 7.114 1.00 0.00 N ATOM 631 CA VAL A 43 3.422 4.896 5.681 1.00 0.00 C ATOM 632 C VAL A 43 2.077 4.397 5.163 1.00 0.00 C ATOM 633 O VAL A 43 1.343 3.749 5.907 1.00 0.00 O ATOM 634 CB VAL A 43 4.564 3.901 5.417 1.00 0.00 C ATOM 635 CG1 VAL A 43 4.235 2.471 5.867 1.00 0.00 C ATOM 636 CG2 VAL A 43 5.000 3.897 3.945 1.00 0.00 C ATOM 0 H VAL A 43 2.683 4.532 7.593 1.00 0.00 H new ATOM 0 HA VAL A 43 3.636 5.818 5.141 1.00 0.00 H new ATOM 0 HB VAL A 43 5.395 4.256 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.081 1.818 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.033 2.464 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.356 2.114 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.809 3.179 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.155 3.617 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.347 4.892 3.665 1.00 0.00 H new ATOM 646 N ASN A 44 1.755 4.691 3.898 1.00 0.00 N ATOM 647 CA ASN A 44 0.553 4.186 3.248 1.00 0.00 C ATOM 648 C ASN A 44 0.699 4.257 1.726 1.00 0.00 C ATOM 649 O ASN A 44 0.103 5.120 1.082 1.00 0.00 O ATOM 650 CB ASN A 44 -0.690 4.954 3.726 1.00 0.00 C ATOM 651 CG ASN A 44 -1.978 4.221 3.365 1.00 0.00 C ATOM 652 OD1 ASN A 44 -2.735 3.833 4.246 1.00 0.00 O ATOM 653 ND2 ASN A 44 -2.237 4.008 2.081 1.00 0.00 N ATOM 0 H ASN A 44 2.326 5.288 3.300 1.00 0.00 H new ATOM 0 HA ASN A 44 0.422 3.140 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.640 5.092 4.806 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.699 5.948 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.084 3.510 1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.589 4.342 1.368 1.00 0.00 H new ATOM 660 N THR A 45 1.452 3.333 1.130 1.00 0.00 N ATOM 661 CA THR A 45 1.453 3.178 -0.318 1.00 0.00 C ATOM 662 C THR A 45 0.039 2.834 -0.790 1.00 0.00 C ATOM 663 O THR A 45 -0.455 1.770 -0.437 1.00 0.00 O ATOM 664 CB THR A 45 2.469 2.099 -0.719 1.00 0.00 C ATOM 665 OG1 THR A 45 3.738 2.481 -0.223 1.00 0.00 O ATOM 666 CG2 THR A 45 2.528 1.892 -2.239 1.00 0.00 C ATOM 0 H THR A 45 2.064 2.686 1.627 1.00 0.00 H new ATOM 0 HA THR A 45 1.751 4.109 -0.800 1.00 0.00 H new ATOM 0 HB THR A 45 2.158 1.147 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.353 2.622 -0.973 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.261 1.119 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.548 1.584 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.818 2.825 -2.722 1.00 0.00 H new ATOM 674 N PHE A 46 -0.595 3.721 -1.566 1.00 0.00 N ATOM 675 CA PHE A 46 -1.924 3.540 -2.140 1.00 0.00 C ATOM 676 C PHE A 46 -1.796 2.892 -3.519 1.00 0.00 C ATOM 677 O PHE A 46 -1.263 3.501 -4.446 1.00 0.00 O ATOM 678 CB PHE A 46 -2.618 4.901 -2.276 1.00 0.00 C ATOM 679 CG PHE A 46 -2.897 5.640 -0.981 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.954 5.226 -0.152 1.00 0.00 C ATOM 681 CD2 PHE A 46 -2.198 6.823 -0.674 1.00 0.00 C ATOM 682 CE1 PHE A 46 -4.350 6.013 0.944 1.00 0.00 C ATOM 683 CE2 PHE A 46 -2.589 7.608 0.426 1.00 0.00 C ATOM 684 CZ PHE A 46 -3.668 7.207 1.233 1.00 0.00 C ATOM 0 H PHE A 46 -0.177 4.616 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.516 2.898 -1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.001 5.539 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.564 4.753 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.465 4.297 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.361 7.128 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.178 5.700 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.059 8.521 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.972 7.815 2.072 1.00 0.00 H new ATOM 694 N VAL A 47 -2.293 1.666 -3.653 1.00 0.00 N ATOM 695 CA VAL A 47 -2.252 0.853 -4.853 1.00 0.00 C ATOM 696 C VAL A 47 -3.615 0.919 -5.545 1.00 0.00 C ATOM 697 O VAL A 47 -4.620 0.472 -4.989 1.00 0.00 O ATOM 698 CB VAL A 47 -1.860 -0.582 -4.450 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.039 -1.584 -5.590 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.412 -0.620 -3.956 1.00 0.00 C ATOM 0 H VAL A 47 -2.760 1.191 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.510 1.218 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.535 -0.876 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.748 -2.578 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.084 -1.598 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.413 -1.291 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.150 -1.640 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.253 -0.280 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.306 0.033 -3.090 1.00 0.00 H new ATOM 710 N HIS A 48 -3.664 1.452 -6.769 1.00 0.00 N ATOM 711 CA HIS A 48 -4.904 1.564 -7.531 1.00 0.00 C ATOM 712 C HIS A 48 -5.209 0.243 -8.242 1.00 0.00 C ATOM 713 O HIS A 48 -5.267 0.208 -9.467 1.00 0.00 O ATOM 714 CB HIS A 48 -4.791 2.720 -8.536 1.00 0.00 C ATOM 715 CG HIS A 48 -4.395 4.027 -7.904 1.00 0.00 C ATOM 716 ND1 HIS A 48 -3.106 4.518 -7.833 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.233 4.925 -7.305 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.161 5.703 -7.199 1.00 0.00 C ATOM 719 NE2 HIS A 48 -4.440 5.970 -6.873 1.00 0.00 N ATOM 0 H HIS A 48 -2.845 1.816 -7.256 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.729 1.777 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.058 2.458 -9.299 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.748 2.845 -9.043 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.267 4.065 -8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.303 4.835 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.315 6.339 -6.985 1.00 0.00 H new ATOM 728 N GLU A 49 -5.382 -0.843 -7.484 1.00 0.00 N ATOM 729 CA GLU A 49 -5.737 -2.154 -8.026 1.00 0.00 C ATOM 730 C GLU A 49 -7.186 -2.475 -7.646 1.00 0.00 C ATOM 731 O GLU A 49 -8.032 -1.582 -7.627 1.00 0.00 O ATOM 732 CB GLU A 49 -4.698 -3.201 -7.583 1.00 0.00 C ATOM 733 CG GLU A 49 -4.584 -4.383 -8.560 1.00 0.00 C ATOM 734 CD GLU A 49 -3.681 -4.059 -9.748 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.451 -4.026 -9.531 1.00 0.00 O ATOM 736 OE2 GLU A 49 -4.243 -3.834 -10.842 1.00 0.00 O ATOM 0 H GLU A 49 -5.278 -0.835 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.703 -2.163 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.724 -2.721 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.967 -3.577 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.191 -5.252 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.577 -4.651 -8.922 1.00 0.00 H new ATOM 743 N SER A 50 -7.477 -3.742 -7.350 1.00 0.00 N ATOM 744 CA SER A 50 -8.755 -4.193 -6.823 1.00 0.00 C ATOM 745 C SER A 50 -8.519 -5.415 -5.937 1.00 0.00 C ATOM 746 O SER A 50 -7.514 -6.109 -6.086 1.00 0.00 O ATOM 747 CB SER A 50 -9.731 -4.489 -7.966 1.00 0.00 C ATOM 748 OG SER A 50 -10.967 -4.932 -7.438 1.00 0.00 O ATOM 0 H SER A 50 -6.807 -4.501 -7.476 1.00 0.00 H new ATOM 0 HA SER A 50 -9.210 -3.410 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.882 -3.593 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.313 -5.250 -8.625 1.00 0.00 H new ATOM 0 HG SER A 50 -11.588 -5.118 -8.172 1.00 0.00 H new ATOM 754 N LEU A 51 -9.446 -5.665 -5.009 1.00 0.00 N ATOM 755 CA LEU A 51 -9.322 -6.681 -3.972 1.00 0.00 C ATOM 756 C LEU A 51 -9.069 -8.055 -4.597 1.00 0.00 C ATOM 757 O LEU A 51 -8.083 -8.721 -4.283 1.00 0.00 O ATOM 758 CB LEU A 51 -10.599 -6.670 -3.113 1.00 0.00 C ATOM 759 CG LEU A 51 -10.548 -7.610 -1.896 1.00 0.00 C ATOM 760 CD1 LEU A 51 -9.612 -7.064 -0.813 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.956 -7.761 -1.311 1.00 0.00 C ATOM 0 H LEU A 51 -10.325 -5.150 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.468 -6.461 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.781 -5.653 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.447 -6.949 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.168 -8.577 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.597 -7.750 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.605 -6.965 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.967 -6.088 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.922 -8.427 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.328 -6.784 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.621 -8.180 -2.067 1.00 0.00 H new ATOM 773 N ALA A 52 -9.961 -8.465 -5.504 1.00 0.00 N ATOM 774 CA ALA A 52 -9.867 -9.744 -6.190 1.00 0.00 C ATOM 775 C ALA A 52 -8.535 -9.868 -6.927 1.00 0.00 C ATOM 776 O ALA A 52 -7.896 -10.916 -6.896 1.00 0.00 O ATOM 777 CB ALA A 52 -11.050 -9.903 -7.149 1.00 0.00 C ATOM 0 H ALA A 52 -10.771 -7.910 -5.780 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.907 -10.547 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.977 -10.862 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.983 -9.863 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.034 -9.097 -7.883 1.00 0.00 H new ATOM 783 N ASP A 53 -8.103 -8.780 -7.570 1.00 0.00 N ATOM 784 CA ASP A 53 -6.807 -8.732 -8.224 1.00 0.00 C ATOM 785 C ASP A 53 -5.676 -9.001 -7.239 1.00 0.00 C ATOM 786 O ASP A 53 -4.831 -9.854 -7.488 1.00 0.00 O ATOM 787 CB ASP A 53 -6.613 -7.397 -8.946 1.00 0.00 C ATOM 788 CG ASP A 53 -5.701 -7.559 -10.157 1.00 0.00 C ATOM 789 OD1 ASP A 53 -6.233 -7.930 -11.226 1.00 0.00 O ATOM 790 OD2 ASP A 53 -4.489 -7.314 -9.983 1.00 0.00 O ATOM 0 H ASP A 53 -8.642 -7.918 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.779 -9.525 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.580 -7.007 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.185 -6.667 -8.259 1.00 0.00 H new ATOM 795 N VAL A 54 -5.653 -8.293 -6.109 1.00 0.00 N ATOM 796 CA VAL A 54 -4.585 -8.474 -5.133 1.00 0.00 C ATOM 797 C VAL A 54 -4.636 -9.899 -4.559 1.00 0.00 C ATOM 798 O VAL A 54 -3.601 -10.519 -4.315 1.00 0.00 O ATOM 799 CB VAL A 54 -4.645 -7.381 -4.055 1.00 0.00 C ATOM 800 CG1 VAL A 54 -3.596 -7.635 -2.966 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.361 -6.003 -4.669 1.00 0.00 C ATOM 0 H VAL A 54 -6.354 -7.598 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.617 -8.364 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.646 -7.404 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.656 -6.849 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.784 -8.601 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.601 -7.635 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.408 -5.241 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.368 -6.002 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.106 -5.785 -5.435 1.00 0.00 H new ATOM 811 N LYS A 55 -5.831 -10.460 -4.369 1.00 0.00 N ATOM 812 CA LYS A 55 -5.934 -11.862 -4.015 1.00 0.00 C ATOM 813 C LYS A 55 -5.336 -12.759 -5.101 1.00 0.00 C ATOM 814 O LYS A 55 -4.581 -13.671 -4.777 1.00 0.00 O ATOM 815 CB LYS A 55 -7.392 -12.227 -3.707 1.00 0.00 C ATOM 816 CG LYS A 55 -7.793 -11.996 -2.242 1.00 0.00 C ATOM 817 CD LYS A 55 -6.986 -12.815 -1.218 1.00 0.00 C ATOM 818 CE LYS A 55 -6.855 -14.301 -1.584 1.00 0.00 C ATOM 819 NZ LYS A 55 -6.187 -15.070 -0.519 1.00 0.00 N ATOM 0 H LYS A 55 -6.721 -9.970 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.348 -12.034 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.047 -11.640 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.555 -13.275 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.679 -10.937 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.850 -12.235 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.989 -12.383 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.463 -12.731 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.845 -14.719 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.291 -14.399 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.995 -16.035 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.291 -14.607 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.803 -15.111 0.318 1.00 0.00 H new ATOM 833 N ALA A 56 -5.633 -12.506 -6.378 1.00 0.00 N ATOM 834 CA ALA A 56 -4.997 -13.244 -7.463 1.00 0.00 C ATOM 835 C ALA A 56 -3.472 -13.131 -7.357 1.00 0.00 C ATOM 836 O ALA A 56 -2.777 -14.141 -7.406 1.00 0.00 O ATOM 837 CB ALA A 56 -5.518 -12.776 -8.826 1.00 0.00 C ATOM 0 H ALA A 56 -6.305 -11.801 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.258 -14.298 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.027 -13.343 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.595 -12.937 -8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.303 -11.715 -8.953 1.00 0.00 H new ATOM 843 N VAL A 57 -2.947 -11.917 -7.156 1.00 0.00 N ATOM 844 CA VAL A 57 -1.525 -11.686 -6.914 1.00 0.00 C ATOM 845 C VAL A 57 -1.007 -12.614 -5.810 1.00 0.00 C ATOM 846 O VAL A 57 0.024 -13.265 -5.985 1.00 0.00 O ATOM 847 CB VAL A 57 -1.255 -10.204 -6.603 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.188 -9.970 -6.135 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.498 -9.338 -7.848 1.00 0.00 C ATOM 0 H VAL A 57 -3.505 -11.063 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.973 -11.926 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.940 -9.925 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.336 -8.910 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.375 -10.548 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.880 -10.286 -6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.302 -8.293 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.832 -9.658 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.533 -9.448 -8.171 1.00 0.00 H new ATOM 859 N CYS A 58 -1.733 -12.711 -4.690 1.00 0.00 N ATOM 860 CA CYS A 58 -1.364 -13.564 -3.561 1.00 0.00 C ATOM 861 C CYS A 58 -1.221 -15.041 -3.951 1.00 0.00 C ATOM 862 O CYS A 58 -0.630 -15.814 -3.204 1.00 0.00 O ATOM 863 CB CYS A 58 -2.364 -13.410 -2.410 1.00 0.00 C ATOM 864 SG CYS A 58 -1.880 -14.229 -0.868 1.00 0.00 S ATOM 0 H CYS A 58 -2.600 -12.194 -4.544 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.382 -13.227 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.507 -12.348 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.328 -13.807 -2.729 1.00 0.00 H new ATOM 869 N SER A 59 -1.736 -15.452 -5.115 1.00 0.00 N ATOM 870 CA SER A 59 -1.528 -16.786 -5.659 1.00 0.00 C ATOM 871 C SER A 59 -0.978 -16.765 -7.092 1.00 0.00 C ATOM 872 O SER A 59 -1.101 -17.760 -7.804 1.00 0.00 O ATOM 873 CB SER A 59 -2.847 -17.562 -5.538 1.00 0.00 C ATOM 874 OG SER A 59 -3.932 -16.787 -6.017 1.00 0.00 O ATOM 0 H SER A 59 -2.314 -14.856 -5.708 1.00 0.00 H new ATOM 0 HA SER A 59 -0.756 -17.295 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.781 -18.492 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.020 -17.834 -4.497 1.00 0.00 H new ATOM 0 HG SER A 59 -4.763 -17.300 -5.933 1.00 0.00 H new ATOM 880 N GLN A 60 -0.336 -15.670 -7.515 1.00 0.00 N ATOM 881 CA GLN A 60 0.099 -15.495 -8.902 1.00 0.00 C ATOM 882 C GLN A 60 1.527 -15.986 -9.110 1.00 0.00 C ATOM 883 O GLN A 60 1.779 -16.799 -9.997 1.00 0.00 O ATOM 884 CB GLN A 60 -0.027 -14.026 -9.330 1.00 0.00 C ATOM 885 CG GLN A 60 0.552 -13.724 -10.721 1.00 0.00 C ATOM 886 CD GLN A 60 -0.164 -14.457 -11.851 1.00 0.00 C ATOM 887 OE1 GLN A 60 -1.010 -13.880 -12.525 1.00 0.00 O ATOM 888 NE2 GLN A 60 0.176 -15.720 -12.093 1.00 0.00 N ATOM 0 H GLN A 60 -0.105 -14.884 -6.907 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.557 -16.101 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.080 -13.745 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.478 -13.400 -8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.498 -12.651 -10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.607 -13.996 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.883 -16.177 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.270 -16.231 -12.854 1.00 0.00 H new ATOM 897 N LYS A 61 2.465 -15.402 -8.365 1.00 0.00 N ATOM 898 CA LYS A 61 3.890 -15.670 -8.487 1.00 0.00 C ATOM 899 C LYS A 61 4.500 -15.538 -7.104 1.00 0.00 C ATOM 900 O LYS A 61 4.874 -14.445 -6.677 1.00 0.00 O ATOM 901 CB LYS A 61 4.523 -14.681 -9.470 1.00 0.00 C ATOM 902 CG LYS A 61 6.042 -14.852 -9.668 1.00 0.00 C ATOM 903 CD LYS A 61 6.406 -16.025 -10.592 1.00 0.00 C ATOM 904 CE LYS A 61 6.650 -15.576 -12.039 1.00 0.00 C ATOM 905 NZ LYS A 61 5.484 -14.890 -12.620 1.00 0.00 N ATOM 0 H LYS A 61 2.246 -14.714 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 61 4.069 -16.673 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.030 -14.785 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.328 -13.667 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.453 -13.931 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.513 -15.004 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.300 -16.519 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.603 -16.761 -10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.512 -14.909 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.898 -16.445 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.667 -14.682 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.646 -15.501 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.313 -14.001 -12.108 1.00 0.00 H new ATOM 919 N LYS A 62 4.617 -16.678 -6.433 1.00 0.00 N ATOM 920 CA LYS A 62 5.328 -16.782 -5.174 1.00 0.00 C ATOM 921 C LYS A 62 6.795 -16.462 -5.435 1.00 0.00 C ATOM 922 O LYS A 62 7.358 -16.936 -6.422 1.00 0.00 O ATOM 923 CB LYS A 62 5.151 -18.191 -4.579 1.00 0.00 C ATOM 924 CG LYS A 62 5.738 -18.319 -3.162 1.00 0.00 C ATOM 925 CD LYS A 62 7.178 -18.859 -3.176 1.00 0.00 C ATOM 926 CE LYS A 62 7.779 -18.843 -1.767 1.00 0.00 C ATOM 927 NZ LYS A 62 9.168 -19.336 -1.771 1.00 0.00 N ATOM 0 H LYS A 62 4.217 -17.560 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 62 4.930 -16.076 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.090 -18.438 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.631 -18.919 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.722 -17.344 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.109 -18.982 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.186 -19.876 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.791 -18.255 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.752 -17.828 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.173 -19.461 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.530 -19.361 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.195 -20.294 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.760 -18.701 -2.344 1.00 0.00 H new ATOM 941 N VAL A 63 7.416 -15.687 -4.547 1.00 0.00 N ATOM 942 CA VAL A 63 8.852 -15.493 -4.517 1.00 0.00 C ATOM 943 C VAL A 63 9.330 -15.642 -3.071 1.00 0.00 C ATOM 944 O VAL A 63 8.589 -15.396 -2.114 1.00 0.00 O ATOM 945 CB VAL A 63 9.275 -14.167 -5.183 1.00 0.00 C ATOM 946 CG1 VAL A 63 8.823 -14.103 -6.648 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.756 -12.926 -4.454 1.00 0.00 C ATOM 0 H VAL A 63 6.921 -15.171 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 63 9.344 -16.258 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 63 10.364 -14.159 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.138 -13.155 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.272 -14.926 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.737 -14.182 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.091 -12.030 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.666 -12.947 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.140 -12.916 -3.434 1.00 0.00 H new ATOM 957 N THR A 64 10.565 -16.105 -2.915 1.00 0.00 N ATOM 958 CA THR A 64 11.184 -16.369 -1.632 1.00 0.00 C ATOM 959 C THR A 64 11.670 -15.048 -1.035 1.00 0.00 C ATOM 960 O THR A 64 12.683 -14.514 -1.483 1.00 0.00 O ATOM 961 CB THR A 64 12.338 -17.349 -1.869 1.00 0.00 C ATOM 962 OG1 THR A 64 11.904 -18.364 -2.756 1.00 0.00 O ATOM 963 CG2 THR A 64 12.850 -17.992 -0.578 1.00 0.00 C ATOM 0 H THR A 64 11.177 -16.311 -3.704 1.00 0.00 H new ATOM 0 HA THR A 64 10.483 -16.812 -0.924 1.00 0.00 H new ATOM 0 HB THR A 64 13.166 -16.781 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.637 -18.995 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.666 -18.676 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.208 -17.216 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.040 -18.543 -0.100 1.00 0.00 H new ATOM 971 N CYS A 65 10.971 -14.500 -0.034 1.00 0.00 N ATOM 972 CA CYS A 65 11.450 -13.325 0.669 1.00 0.00 C ATOM 973 C CYS A 65 12.841 -13.625 1.232 1.00 0.00 C ATOM 974 O CYS A 65 13.045 -14.637 1.905 1.00 0.00 O ATOM 975 CB CYS A 65 10.554 -12.936 1.841 1.00 0.00 C ATOM 976 SG CYS A 65 8.751 -12.856 1.694 1.00 0.00 S ATOM 0 H CYS A 65 10.076 -14.857 0.300 1.00 0.00 H new ATOM 0 HA CYS A 65 11.459 -12.502 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.772 -13.636 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.885 -11.953 2.175 1.00 0.00 H new ATOM 981 N LYS A 66 13.783 -12.723 0.976 1.00 0.00 N ATOM 982 CA LYS A 66 15.203 -12.930 1.242 1.00 0.00 C ATOM 983 C LYS A 66 15.471 -13.133 2.737 1.00 0.00 C ATOM 984 O LYS A 66 16.417 -13.817 3.118 1.00 0.00 O ATOM 985 CB LYS A 66 16.018 -11.753 0.673 1.00 0.00 C ATOM 986 CG LYS A 66 17.249 -12.202 -0.129 1.00 0.00 C ATOM 987 CD LYS A 66 18.264 -12.993 0.708 1.00 0.00 C ATOM 988 CE LYS A 66 19.524 -13.273 -0.120 1.00 0.00 C ATOM 989 NZ LYS A 66 20.509 -14.057 0.647 1.00 0.00 N ATOM 0 H LYS A 66 13.577 -11.810 0.570 1.00 0.00 H new ATOM 0 HA LYS A 66 15.521 -13.844 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.375 -11.150 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.341 -11.112 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.923 -12.817 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.740 -11.324 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.526 -12.430 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.821 -13.932 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.253 -13.814 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.972 -12.330 -0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.349 -14.229 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.785 -13.529 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.088 -14.967 0.925 1.00 0.00 H new ATOM 1003 N ASP A 67 14.619 -12.555 3.589 1.00 0.00 N ATOM 1004 CA ASP A 67 14.720 -12.690 5.037 1.00 0.00 C ATOM 1005 C ASP A 67 14.420 -14.114 5.524 1.00 0.00 C ATOM 1006 O ASP A 67 14.590 -14.394 6.706 1.00 0.00 O ATOM 1007 CB ASP A 67 13.803 -11.671 5.732 1.00 0.00 C ATOM 1008 CG ASP A 67 12.319 -12.031 5.662 1.00 0.00 C ATOM 1009 OD1 ASP A 67 11.943 -12.756 4.715 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.583 -11.569 6.558 1.00 0.00 O ATOM 0 H ASP A 67 13.835 -11.977 3.286 1.00 0.00 H new ATOM 0 HA ASP A 67 15.756 -12.483 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.098 -11.585 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.952 -10.692 5.277 1.00 0.00 H new ATOM 1015 N GLY A 68 13.932 -15.001 4.648 1.00 0.00 N ATOM 1016 CA GLY A 68 13.615 -16.371 5.017 1.00 0.00 C ATOM 1017 C GLY A 68 12.192 -16.520 5.557 1.00 0.00 C ATOM 1018 O GLY A 68 11.837 -17.592 6.037 1.00 0.00 O ATOM 0 H GLY A 68 13.749 -14.783 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.739 -17.016 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.324 -16.714 5.771 1.00 0.00 H new ATOM 1022 N GLN A 69 11.349 -15.485 5.441 1.00 0.00 N ATOM 1023 CA GLN A 69 9.917 -15.619 5.696 1.00 0.00 C ATOM 1024 C GLN A 69 9.298 -16.535 4.642 1.00 0.00 C ATOM 1025 O GLN A 69 8.378 -17.298 4.925 1.00 0.00 O ATOM 1026 CB GLN A 69 9.252 -14.238 5.636 1.00 0.00 C ATOM 1027 CG GLN A 69 7.726 -14.256 5.834 1.00 0.00 C ATOM 1028 CD GLN A 69 7.294 -14.881 7.159 1.00 0.00 C ATOM 1029 OE1 GLN A 69 7.061 -14.178 8.135 1.00 0.00 O ATOM 1030 NE2 GLN A 69 7.169 -16.204 7.205 1.00 0.00 N ATOM 0 H GLN A 69 11.640 -14.545 5.171 1.00 0.00 H new ATOM 0 HA GLN A 69 9.762 -16.049 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.697 -13.601 6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.475 -13.783 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.348 -13.235 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.267 -14.808 5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.370 -16.764 6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.872 -16.659 8.069 1.00 0.00 H new ATOM 1039 N THR A 70 9.807 -16.394 3.417 1.00 0.00 N ATOM 1040 CA THR A 70 9.438 -17.136 2.224 1.00 0.00 C ATOM 1041 C THR A 70 7.941 -17.324 2.054 1.00 0.00 C ATOM 1042 O THR A 70 7.417 -18.437 2.090 1.00 0.00 O ATOM 1043 CB THR A 70 10.224 -18.440 2.111 1.00 0.00 C ATOM 1044 OG1 THR A 70 9.785 -19.188 0.998 1.00 0.00 O ATOM 1045 CG2 THR A 70 10.202 -19.349 3.344 1.00 0.00 C ATOM 0 H THR A 70 10.538 -15.709 3.226 1.00 0.00 H new ATOM 0 HA THR A 70 9.727 -16.513 1.377 1.00 0.00 H new ATOM 0 HB THR A 70 11.257 -18.109 2.000 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.813 -19.306 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.793 -20.243 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.623 -18.816 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.174 -19.635 3.567 1.00 0.00 H new ATOM 1053 N ASN A 71 7.309 -16.216 1.690 1.00 0.00 N ATOM 1054 CA ASN A 71 5.939 -16.191 1.204 1.00 0.00 C ATOM 1055 C ASN A 71 5.622 -14.821 0.597 1.00 0.00 C ATOM 1056 O ASN A 71 4.582 -14.219 0.879 1.00 0.00 O ATOM 1057 CB ASN A 71 4.944 -16.581 2.312 1.00 0.00 C ATOM 1058 CG ASN A 71 3.647 -17.118 1.715 1.00 0.00 C ATOM 1059 OD1 ASN A 71 3.669 -17.976 0.840 1.00 0.00 O ATOM 1060 ND2 ASN A 71 2.501 -16.646 2.188 1.00 0.00 N ATOM 0 H ASN A 71 7.743 -15.294 1.726 1.00 0.00 H new ATOM 0 HA ASN A 71 5.833 -16.938 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.391 -17.336 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.730 -15.713 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.616 -16.997 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.505 -15.932 2.916 1.00 0.00 H new ATOM 1067 N CYS A 72 6.556 -14.311 -0.214 1.00 0.00 N ATOM 1068 CA CYS A 72 6.381 -13.061 -0.938 1.00 0.00 C ATOM 1069 C CYS A 72 5.654 -13.389 -2.235 1.00 0.00 C ATOM 1070 O CYS A 72 5.692 -14.535 -2.680 1.00 0.00 O ATOM 1071 CB CYS A 72 7.726 -12.356 -1.171 1.00 0.00 C ATOM 1072 SG CYS A 72 8.367 -11.418 0.236 1.00 0.00 S ATOM 0 H CYS A 72 7.456 -14.761 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 72 5.787 -12.355 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.465 -13.106 -1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.620 -11.679 -2.019 1.00 0.00 H new ATOM 1077 N TYR A 73 4.969 -12.410 -2.829 1.00 0.00 N ATOM 1078 CA TYR A 73 4.182 -12.596 -4.037 1.00 0.00 C ATOM 1079 C TYR A 73 4.328 -11.392 -4.963 1.00 0.00 C ATOM 1080 O TYR A 73 3.938 -10.280 -4.602 1.00 0.00 O ATOM 1081 CB TYR A 73 2.712 -12.850 -3.694 1.00 0.00 C ATOM 1082 CG TYR A 73 2.420 -14.299 -3.373 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.211 -15.209 -4.424 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.467 -14.758 -2.044 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.056 -16.578 -4.152 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.294 -16.124 -1.772 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.078 -17.032 -2.822 1.00 0.00 C ATOM 1088 OH TYR A 73 1.914 -18.357 -2.549 1.00 0.00 O ATOM 0 H TYR A 73 4.949 -11.454 -2.475 1.00 0.00 H new ATOM 0 HA TYR A 73 4.560 -13.474 -4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.432 -12.231 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.090 -12.537 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.170 -14.854 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.636 -14.062 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.920 -17.279 -4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.327 -16.478 -0.752 1.00 0.00 H new ATOM 0 HH TYR A 73 1.957 -18.499 -1.580 1.00 0.00 H new ATOM 1098 N GLN A 74 4.907 -11.618 -6.144 1.00 0.00 N ATOM 1099 CA GLN A 74 5.004 -10.631 -7.205 1.00 0.00 C ATOM 1100 C GLN A 74 3.688 -10.467 -7.954 1.00 0.00 C ATOM 1101 O GLN A 74 2.960 -11.428 -8.198 1.00 0.00 O ATOM 1102 CB GLN A 74 6.156 -11.002 -8.141 1.00 0.00 C ATOM 1103 CG GLN A 74 6.120 -10.359 -9.534 1.00 0.00 C ATOM 1104 CD GLN A 74 7.385 -10.682 -10.321 1.00 0.00 C ATOM 1105 OE1 GLN A 74 7.374 -11.532 -11.205 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.492 -10.020 -9.997 1.00 0.00 N ATOM 0 H GLN A 74 5.329 -12.514 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 74 5.216 -9.659 -6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.094 -10.726 -7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.166 -12.085 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.247 -10.716 -10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.015 -9.278 -9.436 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.469 -9.319 -9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.364 -10.214 -10.489 1.00 0.00 H new ATOM 1115 N SER A 75 3.446 -9.230 -8.382 1.00 0.00 N ATOM 1116 CA SER A 75 2.399 -8.905 -9.335 1.00 0.00 C ATOM 1117 C SER A 75 2.933 -9.211 -10.727 1.00 0.00 C ATOM 1118 O SER A 75 3.939 -8.638 -11.137 1.00 0.00 O ATOM 1119 CB SER A 75 1.978 -7.437 -9.241 1.00 0.00 C ATOM 1120 OG SER A 75 0.742 -7.260 -9.901 1.00 0.00 O ATOM 0 H SER A 75 3.980 -8.419 -8.070 1.00 0.00 H new ATOM 0 HA SER A 75 1.513 -9.500 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.891 -7.138 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.738 -6.800 -9.692 1.00 0.00 H new ATOM 0 HG SER A 75 0.860 -6.650 -10.659 1.00 0.00 H new ATOM 1126 N LYS A 76 2.263 -10.103 -11.455 1.00 0.00 N ATOM 1127 CA LYS A 76 2.566 -10.344 -12.856 1.00 0.00 C ATOM 1128 C LYS A 76 2.385 -9.056 -13.655 1.00 0.00 C ATOM 1129 O LYS A 76 3.163 -8.783 -14.569 1.00 0.00 O ATOM 1130 CB LYS A 76 1.701 -11.512 -13.351 1.00 0.00 C ATOM 1131 CG LYS A 76 1.894 -11.859 -14.836 1.00 0.00 C ATOM 1132 CD LYS A 76 0.874 -11.177 -15.760 1.00 0.00 C ATOM 1133 CE LYS A 76 -0.524 -11.799 -15.626 1.00 0.00 C ATOM 1134 NZ LYS A 76 -1.493 -11.125 -16.508 1.00 0.00 N ATOM 0 H LYS A 76 1.501 -10.673 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 76 3.607 -10.635 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.926 -12.394 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.652 -11.270 -13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.900 -11.570 -15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.821 -12.939 -14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.823 -10.114 -15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.210 -11.257 -16.794 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.479 -12.859 -15.874 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.859 -11.728 -14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.428 -11.566 -16.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.552 -10.118 -16.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.183 -11.215 -17.497 1.00 0.00 H new ATOM 1148 N SER A 77 1.372 -8.264 -13.304 1.00 0.00 N ATOM 1149 CA SER A 77 1.068 -7.024 -13.981 1.00 0.00 C ATOM 1150 C SER A 77 1.664 -5.846 -13.214 1.00 0.00 C ATOM 1151 O SER A 77 1.785 -5.880 -11.989 1.00 0.00 O ATOM 1152 CB SER A 77 -0.451 -6.872 -14.090 1.00 0.00 C ATOM 1153 OG SER A 77 -1.022 -8.067 -14.594 1.00 0.00 O ATOM 0 H SER A 77 0.739 -8.476 -12.533 1.00 0.00 H new ATOM 0 HA SER A 77 1.503 -7.038 -14.980 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.873 -6.642 -13.112 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.695 -6.037 -14.747 1.00 0.00 H new ATOM 0 HG SER A 77 -1.994 -7.963 -14.659 1.00 0.00 H new ATOM 1159 N THR A 78 2.005 -4.788 -13.938 1.00 0.00 N ATOM 1160 CA THR A 78 2.351 -3.496 -13.380 1.00 0.00 C ATOM 1161 C THR A 78 1.047 -2.737 -13.119 1.00 0.00 C ATOM 1162 O THR A 78 0.015 -3.068 -13.703 1.00 0.00 O ATOM 1163 CB THR A 78 3.216 -2.774 -14.425 1.00 0.00 C ATOM 1164 OG1 THR A 78 2.558 -2.830 -15.676 1.00 0.00 O ATOM 1165 CG2 THR A 78 4.575 -3.459 -14.608 1.00 0.00 C ATOM 0 H THR A 78 2.048 -4.810 -14.957 1.00 0.00 H new ATOM 0 HA THR A 78 2.903 -3.573 -12.443 1.00 0.00 H new ATOM 0 HB THR A 78 3.367 -1.752 -14.079 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.100 -2.371 -16.351 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.157 -2.919 -15.355 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.113 -3.460 -13.660 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.423 -4.486 -14.940 1.00 0.00 H new ATOM 1173 N MET A 79 1.085 -1.718 -12.258 1.00 0.00 N ATOM 1174 CA MET A 79 -0.020 -0.790 -12.085 1.00 0.00 C ATOM 1175 C MET A 79 0.545 0.538 -11.583 1.00 0.00 C ATOM 1176 O MET A 79 1.721 0.611 -11.220 1.00 0.00 O ATOM 1177 CB MET A 79 -1.085 -1.399 -11.148 1.00 0.00 C ATOM 1178 CG MET A 79 -2.446 -0.682 -11.173 1.00 0.00 C ATOM 1179 SD MET A 79 -3.112 -0.360 -12.829 1.00 0.00 S ATOM 1180 CE MET A 79 -4.696 0.411 -12.445 1.00 0.00 C ATOM 0 H MET A 79 1.888 -1.518 -11.662 1.00 0.00 H new ATOM 0 HA MET A 79 -0.529 -0.600 -13.030 1.00 0.00 H new ATOM 0 HB2 MET A 79 -1.235 -2.444 -11.420 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.702 -1.387 -10.128 1.00 0.00 H new ATOM 0 HG2 MET A 79 -3.167 -1.283 -10.618 1.00 0.00 H new ATOM 0 HG3 MET A 79 -2.350 0.267 -10.646 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.157 0.773 -13.364 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.352 -0.321 -11.974 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.538 1.247 -11.764 1.00 0.00 H new ATOM 1190 N ARG A 80 -0.283 1.583 -11.601 1.00 0.00 N ATOM 1191 CA ARG A 80 0.052 2.900 -11.086 1.00 0.00 C ATOM 1192 C ARG A 80 -0.200 2.913 -9.580 1.00 0.00 C ATOM 1193 O ARG A 80 -1.346 2.759 -9.151 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.788 3.975 -11.791 1.00 0.00 C ATOM 1195 CG ARG A 80 -0.670 3.930 -13.325 1.00 0.00 C ATOM 1196 CD ARG A 80 -1.892 3.295 -14.006 1.00 0.00 C ATOM 1197 NE ARG A 80 -3.126 4.051 -13.745 1.00 0.00 N ATOM 1198 CZ ARG A 80 -3.505 5.168 -14.385 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -2.721 5.716 -15.320 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -4.678 5.735 -14.083 1.00 0.00 N ATOM 0 H ARG A 80 -1.227 1.530 -11.985 1.00 0.00 H new ATOM 0 HA ARG A 80 1.102 3.120 -11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.834 3.851 -11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.477 4.958 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.537 4.944 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.223 3.368 -13.598 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.720 3.242 -15.081 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.013 2.271 -13.652 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.746 3.697 -13.016 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.826 5.285 -15.552 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.018 6.565 -15.801 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -5.277 5.318 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.973 6.584 -14.565 1.00 0.00 H new ATOM 1214 N ILE A 81 0.848 3.075 -8.772 1.00 0.00 N ATOM 1215 CA ILE A 81 0.772 3.050 -7.331 1.00 0.00 C ATOM 1216 C ILE A 81 1.433 4.312 -6.764 1.00 0.00 C ATOM 1217 O ILE A 81 2.388 4.825 -7.345 1.00 0.00 O ATOM 1218 CB ILE A 81 1.371 1.728 -6.821 1.00 0.00 C ATOM 1219 CG1 ILE A 81 2.900 1.545 -6.918 1.00 0.00 C ATOM 1220 CG2 ILE A 81 0.636 0.529 -7.443 1.00 0.00 C ATOM 1221 CD1 ILE A 81 3.413 0.921 -8.222 1.00 0.00 C ATOM 0 H ILE A 81 1.793 3.231 -9.122 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.260 3.072 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 81 1.205 1.780 -5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.373 2.519 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.227 0.922 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.073 -0.398 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.419 0.568 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.733 0.566 -8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.499 0.839 -8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.978 -0.071 -8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.127 1.551 -9.064 1.00 0.00 H new ATOM 1233 N THR A 82 0.901 4.832 -5.655 1.00 0.00 N ATOM 1234 CA THR A 82 1.364 6.057 -5.016 1.00 0.00 C ATOM 1235 C THR A 82 1.957 5.722 -3.653 1.00 0.00 C ATOM 1236 O THR A 82 1.223 5.507 -2.690 1.00 0.00 O ATOM 1237 CB THR A 82 0.218 7.076 -4.938 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.151 7.441 -6.253 1.00 0.00 O ATOM 1239 CG2 THR A 82 0.628 8.348 -4.189 1.00 0.00 C ATOM 0 H THR A 82 0.117 4.398 -5.168 1.00 0.00 H new ATOM 0 HA THR A 82 2.153 6.521 -5.608 1.00 0.00 H new ATOM 0 HB THR A 82 -0.607 6.610 -4.399 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.884 8.091 -6.219 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.214 9.040 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.924 8.092 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.466 8.819 -4.703 1.00 0.00 H new ATOM 1247 N ASP A 83 3.288 5.690 -3.576 1.00 0.00 N ATOM 1248 CA ASP A 83 4.033 5.514 -2.346 1.00 0.00 C ATOM 1249 C ASP A 83 3.961 6.801 -1.538 1.00 0.00 C ATOM 1250 O ASP A 83 4.651 7.759 -1.879 1.00 0.00 O ATOM 1251 CB ASP A 83 5.481 5.114 -2.661 1.00 0.00 C ATOM 1252 CG ASP A 83 5.571 3.651 -3.086 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.628 2.799 -2.172 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.560 3.406 -4.312 1.00 0.00 O ATOM 0 H ASP A 83 3.887 5.789 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 83 3.599 4.710 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.872 5.750 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.106 5.279 -1.783 1.00 0.00 H new ATOM 1259 N CYS A 84 3.130 6.816 -0.488 1.00 0.00 N ATOM 1260 CA CYS A 84 3.020 7.914 0.466 1.00 0.00 C ATOM 1261 C CYS A 84 3.605 7.558 1.833 1.00 0.00 C ATOM 1262 O CYS A 84 3.343 6.461 2.331 1.00 0.00 O ATOM 1263 CB CYS A 84 1.578 8.416 0.576 1.00 0.00 C ATOM 1264 SG CYS A 84 1.562 10.076 1.278 1.00 0.00 S ATOM 0 H CYS A 84 2.501 6.041 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 84 3.623 8.734 0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.109 8.423 -0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.995 7.741 1.202 1.00 0.00 H new ATOM 1269 N ARG A 85 4.413 8.450 2.428 1.00 0.00 N ATOM 1270 CA ARG A 85 5.167 8.171 3.648 1.00 0.00 C ATOM 1271 C ARG A 85 5.172 9.397 4.542 1.00 0.00 C ATOM 1272 O ARG A 85 5.094 10.505 4.034 1.00 0.00 O ATOM 1273 CB ARG A 85 6.602 7.795 3.272 1.00 0.00 C ATOM 1274 CG ARG A 85 7.372 7.168 4.443 1.00 0.00 C ATOM 1275 CD ARG A 85 8.631 6.437 3.961 1.00 0.00 C ATOM 1276 NE ARG A 85 8.293 5.211 3.216 1.00 0.00 N ATOM 1277 CZ ARG A 85 8.286 5.052 1.883 1.00 0.00 C ATOM 1278 NH1 ARG A 85 8.593 6.061 1.062 1.00 0.00 N ATOM 1279 NH2 ARG A 85 7.958 3.861 1.371 1.00 0.00 N ATOM 0 H ARG A 85 4.559 9.393 2.067 1.00 0.00 H new ATOM 0 HA ARG A 85 4.701 7.346 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.584 7.095 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.130 8.685 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.651 7.946 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.725 6.469 4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.217 7.100 3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.256 6.183 4.817 1.00 0.00 H new ATOM 0 HE ARG A 85 8.037 4.396 3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.839 6.974 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.581 5.918 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.717 3.088 1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.948 3.726 0.360 1.00 0.00 H new ATOM 1293 N GLU A 86 5.275 9.239 5.858 1.00 0.00 N ATOM 1294 CA GLU A 86 5.355 10.377 6.757 1.00 0.00 C ATOM 1295 C GLU A 86 6.718 11.050 6.612 1.00 0.00 C ATOM 1296 O GLU A 86 7.732 10.493 7.027 1.00 0.00 O ATOM 1297 CB GLU A 86 5.100 9.914 8.192 1.00 0.00 C ATOM 1298 CG GLU A 86 4.762 11.089 9.108 1.00 0.00 C ATOM 1299 CD GLU A 86 4.097 10.645 10.408 1.00 0.00 C ATOM 1300 OE1 GLU A 86 4.523 9.604 10.953 1.00 0.00 O ATOM 1301 OE2 GLU A 86 3.181 11.382 10.839 1.00 0.00 O ATOM 0 H GLU A 86 5.305 8.331 6.323 1.00 0.00 H new ATOM 0 HA GLU A 86 4.591 11.112 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.281 9.195 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.982 9.398 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.674 11.639 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.100 11.777 8.582 1.00 0.00 H new ATOM 1308 N THR A 87 6.749 12.246 6.024 1.00 0.00 N ATOM 1309 CA THR A 87 7.929 13.089 5.986 1.00 0.00 C ATOM 1310 C THR A 87 8.549 13.232 7.381 1.00 0.00 C ATOM 1311 O THR A 87 7.840 13.302 8.392 1.00 0.00 O ATOM 1312 CB THR A 87 7.547 14.477 5.455 1.00 0.00 C ATOM 1313 OG1 THR A 87 6.327 14.413 4.738 1.00 0.00 O ATOM 1314 CG2 THR A 87 8.635 15.071 4.556 1.00 0.00 C ATOM 0 H THR A 87 5.941 12.656 5.556 1.00 0.00 H new ATOM 0 HA THR A 87 8.663 12.624 5.328 1.00 0.00 H new ATOM 0 HB THR A 87 7.433 15.128 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.095 15.306 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.320 16.053 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.562 15.168 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.799 14.415 3.701 1.00 0.00 H new ATOM 1322 N GLY A 88 9.879 13.343 7.410 1.00 0.00 N ATOM 1323 CA GLY A 88 10.685 13.517 8.613 1.00 0.00 C ATOM 1324 C GLY A 88 10.538 14.945 9.125 1.00 0.00 C ATOM 1325 O GLY A 88 11.490 15.722 9.126 1.00 0.00 O ATOM 0 H GLY A 88 10.443 13.312 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.368 12.810 9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.732 13.304 8.396 1.00 0.00 H new ATOM 1329 N SER A 89 9.314 15.276 9.529 1.00 0.00 N ATOM 1330 CA SER A 89 8.854 16.616 9.844 1.00 0.00 C ATOM 1331 C SER A 89 7.369 16.637 10.229 1.00 0.00 C ATOM 1332 O SER A 89 6.924 17.660 10.744 1.00 0.00 O ATOM 1333 CB SER A 89 9.112 17.565 8.663 1.00 0.00 C ATOM 1334 OG SER A 89 8.680 16.987 7.444 1.00 0.00 O ATOM 0 H SER A 89 8.582 14.576 9.650 1.00 0.00 H new ATOM 0 HA SER A 89 9.422 16.960 10.708 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.590 18.507 8.828 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.175 17.796 8.603 1.00 0.00 H new ATOM 0 HG SER A 89 8.853 17.610 6.707 1.00 0.00 H new ATOM 1340 N SER A 90 6.592 15.565 9.988 1.00 0.00 N ATOM 1341 CA SER A 90 5.181 15.555 10.358 1.00 0.00 C ATOM 1342 C SER A 90 5.021 15.864 11.854 1.00 0.00 C ATOM 1343 O SER A 90 5.487 15.090 12.688 1.00 0.00 O ATOM 1344 CB SER A 90 4.618 14.174 10.018 1.00 0.00 C ATOM 1345 OG SER A 90 3.208 14.140 10.099 1.00 0.00 O ATOM 0 H SER A 90 6.921 14.708 9.543 1.00 0.00 H new ATOM 0 HA SER A 90 4.635 16.322 9.808 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.930 13.894 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.038 13.434 10.699 1.00 0.00 H new ATOM 0 HG SER A 90 2.917 13.240 10.353 1.00 0.00 H new ATOM 1351 N LYS A 91 4.391 16.994 12.195 1.00 0.00 N ATOM 1352 CA LYS A 91 4.258 17.472 13.564 1.00 0.00 C ATOM 1353 C LYS A 91 2.844 18.024 13.763 1.00 0.00 C ATOM 1354 O LYS A 91 2.613 19.230 13.678 1.00 0.00 O ATOM 1355 CB LYS A 91 5.359 18.503 13.846 1.00 0.00 C ATOM 1356 CG LYS A 91 5.389 18.925 15.321 1.00 0.00 C ATOM 1357 CD LYS A 91 6.392 20.050 15.613 1.00 0.00 C ATOM 1358 CE LYS A 91 7.851 19.676 15.313 1.00 0.00 C ATOM 1359 NZ LYS A 91 8.224 19.937 13.909 1.00 0.00 N ATOM 0 H LYS A 91 3.953 17.609 11.509 1.00 0.00 H new ATOM 0 HA LYS A 91 4.390 16.664 14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.327 18.085 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.201 19.382 13.221 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.392 19.251 15.618 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.637 18.059 15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.123 20.926 15.022 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.308 20.335 16.662 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.510 20.241 15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.005 18.620 15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.615 19.071 13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.382 20.232 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.938 20.692 13.874 1.00 0.00 H new ATOM 1373 N TYR A 92 1.902 17.113 14.026 1.00 0.00 N ATOM 1374 CA TYR A 92 0.499 17.404 14.312 1.00 0.00 C ATOM 1375 C TYR A 92 0.359 18.661 15.189 1.00 0.00 C ATOM 1376 O TYR A 92 1.023 18.736 16.222 1.00 0.00 O ATOM 1377 CB TYR A 92 -0.131 16.180 14.996 1.00 0.00 C ATOM 1378 CG TYR A 92 -1.583 15.934 14.643 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -2.610 16.541 15.392 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -1.909 15.003 13.640 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -3.952 16.207 15.145 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -3.251 14.670 13.395 1.00 0.00 C ATOM 1383 CZ TYR A 92 -4.272 15.256 14.164 1.00 0.00 C ATOM 1384 OH TYR A 92 -5.566 14.859 14.006 1.00 0.00 O ATOM 0 H TYR A 92 2.107 16.114 14.046 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.025 17.608 13.378 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.448 15.295 14.731 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.050 16.303 16.076 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.366 17.264 16.157 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.125 14.543 13.057 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.739 16.683 15.711 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -3.499 13.964 12.616 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.603 14.104 13.382 1.00 0.00 H new ATOM 1394 N PRO A 93 -0.456 19.662 14.812 1.00 0.00 N ATOM 1395 CA PRO A 93 -1.403 19.671 13.701 1.00 0.00 C ATOM 1396 C PRO A 93 -0.732 19.814 12.332 1.00 0.00 C ATOM 1397 O PRO A 93 -1.346 19.472 11.323 1.00 0.00 O ATOM 1398 CB PRO A 93 -2.323 20.866 13.971 1.00 0.00 C ATOM 1399 CG PRO A 93 -1.407 21.841 14.708 1.00 0.00 C ATOM 1400 CD PRO A 93 -0.554 20.904 15.562 1.00 0.00 C ATOM 0 HA PRO A 93 -1.936 18.721 13.654 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.710 21.295 13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.184 20.584 14.577 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.800 22.429 14.019 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.971 22.547 15.318 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.433 21.330 15.743 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.013 20.737 16.536 1.00 0.00 H new ATOM 1408 N ASN A 94 0.526 20.263 12.272 1.00 0.00 N ATOM 1409 CA ASN A 94 1.272 20.367 11.023 1.00 0.00 C ATOM 1410 C ASN A 94 1.804 18.985 10.649 1.00 0.00 C ATOM 1411 O ASN A 94 3.009 18.781 10.494 1.00 0.00 O ATOM 1412 CB ASN A 94 2.407 21.394 11.148 1.00 0.00 C ATOM 1413 CG ASN A 94 1.881 22.794 11.436 1.00 0.00 C ATOM 1414 OD1 ASN A 94 1.455 23.502 10.530 1.00 0.00 O ATOM 1415 ND2 ASN A 94 1.907 23.216 12.697 1.00 0.00 N ATOM 0 H ASN A 94 1.053 20.564 13.092 1.00 0.00 H new ATOM 0 HA ASN A 94 0.613 20.719 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.085 21.090 11.946 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.987 21.407 10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.567 24.149 12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.267 22.606 13.431 1.00 0.00 H new ATOM 1422 N CYS A 95 0.898 18.015 10.528 1.00 0.00 N ATOM 1423 CA CYS A 95 1.235 16.707 9.997 1.00 0.00 C ATOM 1424 C CYS A 95 1.621 16.856 8.529 1.00 0.00 C ATOM 1425 O CYS A 95 1.159 17.778 7.859 1.00 0.00 O ATOM 1426 CB CYS A 95 0.079 15.728 10.203 1.00 0.00 C ATOM 1427 SG CYS A 95 0.042 14.330 9.057 1.00 0.00 S ATOM 0 H CYS A 95 -0.081 18.118 10.795 1.00 0.00 H new ATOM 0 HA CYS A 95 2.088 16.291 10.533 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.128 15.342 11.221 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.860 16.275 10.114 1.00 0.00 H new ATOM 1432 N ALA A 96 2.504 15.981 8.049 1.00 0.00 N ATOM 1433 CA ALA A 96 3.024 16.033 6.695 1.00 0.00 C ATOM 1434 C ALA A 96 3.189 14.612 6.176 1.00 0.00 C ATOM 1435 O ALA A 96 3.440 13.691 6.950 1.00 0.00 O ATOM 1436 CB ALA A 96 4.363 16.776 6.678 1.00 0.00 C ATOM 0 H ALA A 96 2.879 15.209 8.601 1.00 0.00 H new ATOM 0 HA ALA A 96 2.330 16.571 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.747 16.811 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.220 17.792 7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.076 16.255 7.317 1.00 0.00 H new ATOM 1442 N TYR A 97 3.077 14.452 4.857 1.00 0.00 N ATOM 1443 CA TYR A 97 3.390 13.216 4.171 1.00 0.00 C ATOM 1444 C TYR A 97 4.121 13.531 2.873 1.00 0.00 C ATOM 1445 O TYR A 97 3.719 14.441 2.145 1.00 0.00 O ATOM 1446 CB TYR A 97 2.128 12.418 3.853 1.00 0.00 C ATOM 1447 CG TYR A 97 1.389 11.864 5.049 1.00 0.00 C ATOM 1448 CD1 TYR A 97 1.736 10.600 5.561 1.00 0.00 C ATOM 1449 CD2 TYR A 97 0.274 12.544 5.565 1.00 0.00 C ATOM 1450 CE1 TYR A 97 0.978 10.029 6.595 1.00 0.00 C ATOM 1451 CE2 TYR A 97 -0.478 11.976 6.603 1.00 0.00 C ATOM 1452 CZ TYR A 97 -0.110 10.729 7.134 1.00 0.00 C ATOM 1453 OH TYR A 97 -0.809 10.216 8.182 1.00 0.00 O ATOM 0 H TYR A 97 2.761 15.194 4.233 1.00 0.00 H new ATOM 0 HA TYR A 97 4.019 12.615 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.447 13.057 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.399 11.589 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.586 10.069 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.005 13.506 5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.233 9.051 6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.340 12.497 6.994 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.076 10.942 8.784 1.00 0.00 H new ATOM 1463 N LYS A 98 5.175 12.764 2.601 1.00 0.00 N ATOM 1464 CA LYS A 98 5.879 12.687 1.346 1.00 0.00 C ATOM 1465 C LYS A 98 5.081 11.764 0.426 1.00 0.00 C ATOM 1466 O LYS A 98 4.521 10.795 0.925 1.00 0.00 O ATOM 1467 CB LYS A 98 7.295 12.144 1.604 1.00 0.00 C ATOM 1468 CG LYS A 98 8.231 12.158 0.383 1.00 0.00 C ATOM 1469 CD LYS A 98 9.099 13.420 0.275 1.00 0.00 C ATOM 1470 CE LYS A 98 8.287 14.709 0.121 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.159 15.854 -0.194 1.00 0.00 N ATOM 0 H LYS A 98 5.577 12.144 3.304 1.00 0.00 H new ATOM 0 HA LYS A 98 5.977 13.664 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.753 12.731 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.214 11.120 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.882 11.285 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.632 12.063 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.725 13.498 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.769 13.318 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.547 14.584 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.739 14.909 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.582 16.713 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.849 15.986 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.663 15.672 -1.085 1.00 0.00 H new ATOM 1485 N THR A 99 5.012 12.018 -0.887 1.00 0.00 N ATOM 1486 CA THR A 99 4.326 11.111 -1.800 1.00 0.00 C ATOM 1487 C THR A 99 5.016 11.016 -3.157 1.00 0.00 C ATOM 1488 O THR A 99 5.572 12.006 -3.631 1.00 0.00 O ATOM 1489 CB THR A 99 2.851 11.508 -1.907 1.00 0.00 C ATOM 1490 OG1 THR A 99 2.086 10.413 -2.369 1.00 0.00 O ATOM 1491 CG2 THR A 99 2.606 12.706 -2.825 1.00 0.00 C ATOM 0 H THR A 99 5.421 12.839 -1.333 1.00 0.00 H new ATOM 0 HA THR A 99 4.376 10.103 -1.389 1.00 0.00 H new ATOM 0 HB THR A 99 2.544 11.801 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.144 10.676 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.540 12.931 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.150 13.572 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.954 12.471 -3.831 1.00 0.00 H new ATOM 1499 N THR A 100 4.956 9.825 -3.764 1.00 0.00 N ATOM 1500 CA THR A 100 5.565 9.502 -5.043 1.00 0.00 C ATOM 1501 C THR A 100 4.648 8.560 -5.827 1.00 0.00 C ATOM 1502 O THR A 100 4.487 7.402 -5.439 1.00 0.00 O ATOM 1503 CB THR A 100 6.924 8.828 -4.790 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.759 9.695 -4.048 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.621 8.472 -6.107 1.00 0.00 C ATOM 0 H THR A 100 4.460 9.033 -3.354 1.00 0.00 H new ATOM 0 HA THR A 100 5.712 10.411 -5.626 1.00 0.00 H new ATOM 0 HB THR A 100 6.743 7.910 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.623 9.260 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.579 7.997 -5.895 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.994 7.786 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.787 9.379 -6.688 1.00 0.00 H new ATOM 1513 N GLN A 101 4.063 9.036 -6.934 1.00 0.00 N ATOM 1514 CA GLN A 101 3.428 8.154 -7.908 1.00 0.00 C ATOM 1515 C GLN A 101 4.519 7.401 -8.672 1.00 0.00 C ATOM 1516 O GLN A 101 5.549 7.986 -8.999 1.00 0.00 O ATOM 1517 CB GLN A 101 2.485 8.903 -8.862 1.00 0.00 C ATOM 1518 CG GLN A 101 3.124 10.104 -9.573 1.00 0.00 C ATOM 1519 CD GLN A 101 2.146 10.773 -10.535 1.00 0.00 C ATOM 1520 OE1 GLN A 101 1.307 10.116 -11.144 1.00 0.00 O ATOM 1521 NE2 GLN A 101 2.229 12.092 -10.679 1.00 0.00 N ATOM 0 H GLN A 101 4.019 10.027 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 101 2.796 7.445 -7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.119 8.204 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.618 9.249 -8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.460 10.829 -8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.007 9.775 -10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.934 12.618 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.587 12.578 -11.306 1.00 0.00 H new ATOM 1530 N VAL A 102 4.302 6.115 -8.950 1.00 0.00 N ATOM 1531 CA VAL A 102 5.200 5.298 -9.745 1.00 0.00 C ATOM 1532 C VAL A 102 4.366 4.218 -10.437 1.00 0.00 C ATOM 1533 O VAL A 102 3.301 3.846 -9.946 1.00 0.00 O ATOM 1534 CB VAL A 102 6.342 4.755 -8.862 1.00 0.00 C ATOM 1535 CG1 VAL A 102 5.835 3.943 -7.665 1.00 0.00 C ATOM 1536 CG2 VAL A 102 7.332 3.909 -9.668 1.00 0.00 C ATOM 0 H VAL A 102 3.480 5.609 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 102 5.695 5.876 -10.525 1.00 0.00 H new ATOM 0 HB VAL A 102 6.855 5.637 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.684 3.587 -7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.203 4.573 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.257 3.090 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.121 3.546 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.810 3.061 -10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.771 4.517 -10.459 1.00 0.00 H new ATOM 1546 N GLU A 103 4.819 3.756 -11.605 1.00 0.00 N ATOM 1547 CA GLU A 103 4.127 2.790 -12.438 1.00 0.00 C ATOM 1548 C GLU A 103 5.054 1.602 -12.634 1.00 0.00 C ATOM 1549 O GLU A 103 6.097 1.758 -13.264 1.00 0.00 O ATOM 1550 CB GLU A 103 3.760 3.436 -13.777 1.00 0.00 C ATOM 1551 CG GLU A 103 2.867 4.672 -13.596 1.00 0.00 C ATOM 1552 CD GLU A 103 3.636 5.937 -13.213 1.00 0.00 C ATOM 1553 OE1 GLU A 103 4.621 6.242 -13.920 1.00 0.00 O ATOM 1554 OE2 GLU A 103 3.233 6.567 -12.211 1.00 0.00 O ATOM 0 H GLU A 103 5.708 4.059 -12.003 1.00 0.00 H new ATOM 0 HA GLU A 103 3.201 2.456 -11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.671 3.721 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.246 2.706 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.323 4.855 -14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.124 4.463 -12.827 1.00 0.00 H new ATOM 1561 N LYS A 104 4.709 0.441 -12.071 1.00 0.00 N ATOM 1562 CA LYS A 104 5.551 -0.743 -12.086 1.00 0.00 C ATOM 1563 C LYS A 104 4.808 -1.856 -11.360 1.00 0.00 C ATOM 1564 O LYS A 104 3.632 -1.689 -11.036 1.00 0.00 O ATOM 1565 CB LYS A 104 6.946 -0.474 -11.483 1.00 0.00 C ATOM 1566 CG LYS A 104 8.040 -0.623 -12.556 1.00 0.00 C ATOM 1567 CD LYS A 104 9.405 -0.095 -12.086 1.00 0.00 C ATOM 1568 CE LYS A 104 9.703 1.312 -12.623 1.00 0.00 C ATOM 1569 NZ LYS A 104 8.690 2.294 -12.205 1.00 0.00 N ATOM 0 H LYS A 104 3.822 0.302 -11.586 1.00 0.00 H new ATOM 0 HA LYS A 104 5.743 -1.046 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.978 0.530 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.135 -1.169 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.135 -1.674 -12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.737 -0.087 -13.455 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.430 -0.078 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.188 -0.779 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.684 1.633 -12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.749 1.281 -13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.024 3.253 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.800 2.111 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.530 2.213 -11.181 1.00 0.00 H new ATOM 1583 N HIS A 105 5.469 -2.993 -11.149 1.00 0.00 N ATOM 1584 CA HIS A 105 4.861 -4.152 -10.516 1.00 0.00 C ATOM 1585 C HIS A 105 5.218 -4.177 -9.040 1.00 0.00 C ATOM 1586 O HIS A 105 6.328 -3.817 -8.643 1.00 0.00 O ATOM 1587 CB HIS A 105 5.192 -5.463 -11.241 1.00 0.00 C ATOM 1588 CG HIS A 105 6.651 -5.765 -11.448 1.00 0.00 C ATOM 1589 ND1 HIS A 105 7.375 -5.513 -12.598 1.00 0.00 N ATOM 1590 CD2 HIS A 105 7.449 -6.468 -10.587 1.00 0.00 C ATOM 1591 CE1 HIS A 105 8.602 -6.039 -12.429 1.00 0.00 C ATOM 1592 NE2 HIS A 105 8.667 -6.624 -11.218 1.00 0.00 N ATOM 0 H HIS A 105 6.444 -3.132 -11.415 1.00 0.00 H new ATOM 0 HA HIS A 105 3.778 -4.060 -10.596 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.750 -6.285 -10.678 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.705 -5.446 -12.216 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.179 -6.830 -9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.406 -5.998 -13.149 1.00 0.00 H new ATOM 0 HE2 HIS A 105 9.480 -7.103 -10.831 1.00 0.00 H new ATOM 1601 N ILE A 106 4.231 -4.562 -8.233 1.00 0.00 N ATOM 1602 CA ILE A 106 4.375 -4.647 -6.785 1.00 0.00 C ATOM 1603 C ILE A 106 4.745 -6.064 -6.371 1.00 0.00 C ATOM 1604 O ILE A 106 4.404 -7.032 -7.051 1.00 0.00 O ATOM 1605 CB ILE A 106 3.116 -4.134 -6.057 1.00 0.00 C ATOM 1606 CG1 ILE A 106 1.893 -5.047 -6.247 1.00 0.00 C ATOM 1607 CG2 ILE A 106 2.788 -2.700 -6.493 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.724 -4.610 -5.364 1.00 0.00 C ATOM 0 H ILE A 106 3.305 -4.825 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 106 5.191 -3.991 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 106 3.349 -4.144 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.586 -5.032 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.165 -6.075 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.897 -2.355 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.626 -2.046 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.608 -2.679 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.123 -5.278 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.024 -4.650 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.436 -3.591 -5.620 1.00 0.00 H new ATOM 1620 N ILE A 107 5.460 -6.160 -5.254 1.00 0.00 N ATOM 1621 CA ILE A 107 5.741 -7.381 -4.541 1.00 0.00 C ATOM 1622 C ILE A 107 5.090 -7.181 -3.179 1.00 0.00 C ATOM 1623 O ILE A 107 5.496 -6.303 -2.412 1.00 0.00 O ATOM 1624 CB ILE A 107 7.257 -7.621 -4.443 1.00 0.00 C ATOM 1625 CG1 ILE A 107 7.933 -7.968 -5.782 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.540 -8.826 -3.525 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.071 -6.812 -6.772 1.00 0.00 C ATOM 0 H ILE A 107 5.875 -5.342 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 107 5.350 -8.267 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 107 7.659 -6.679 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.927 -8.365 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.364 -8.766 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.616 -8.990 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.143 -8.626 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.062 -9.716 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.560 -7.167 -7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.083 -6.425 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.669 -6.019 -6.324 1.00 0.00 H new ATOM 1639 N VAL A 108 4.061 -7.977 -2.902 1.00 0.00 N ATOM 1640 CA VAL A 108 3.455 -8.050 -1.590 1.00 0.00 C ATOM 1641 C VAL A 108 3.998 -9.292 -0.888 1.00 0.00 C ATOM 1642 O VAL A 108 4.833 -10.005 -1.443 1.00 0.00 O ATOM 1643 CB VAL A 108 1.916 -8.037 -1.707 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.437 -6.706 -2.298 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.366 -9.199 -2.542 1.00 0.00 C ATOM 0 H VAL A 108 3.626 -8.591 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 108 3.712 -7.179 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 108 1.530 -8.158 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.350 -6.712 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.751 -5.887 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.870 -6.571 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.279 -9.133 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.774 -9.147 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.654 -10.145 -2.083 1.00 0.00 H new ATOM 1655 N ALA A 109 3.530 -9.566 0.326 1.00 0.00 N ATOM 1656 CA ALA A 109 3.746 -10.838 0.985 1.00 0.00 C ATOM 1657 C ALA A 109 2.475 -11.206 1.728 1.00 0.00 C ATOM 1658 O ALA A 109 1.735 -10.318 2.173 1.00 0.00 O ATOM 1659 CB ALA A 109 4.973 -10.804 1.898 1.00 0.00 C ATOM 0 H ALA A 109 2.987 -8.903 0.879 1.00 0.00 H new ATOM 0 HA ALA A 109 3.962 -11.609 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.100 -11.777 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.859 -10.570 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.835 -10.041 2.664 1.00 0.00 H new ATOM 1665 N CYS A 110 2.213 -12.513 1.794 1.00 0.00 N ATOM 1666 CA CYS A 110 0.974 -13.050 2.327 1.00 0.00 C ATOM 1667 C CYS A 110 1.262 -13.792 3.623 1.00 0.00 C ATOM 1668 O CYS A 110 2.334 -14.373 3.781 1.00 0.00 O ATOM 1669 CB CYS A 110 0.272 -13.953 1.305 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.241 -13.124 -0.217 1.00 0.00 S ATOM 0 H CYS A 110 2.865 -13.229 1.474 1.00 0.00 H new ATOM 0 HA CYS A 110 0.292 -12.226 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.941 -14.774 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.607 -14.394 1.775 1.00 0.00 H new ATOM 1675 N GLY A 111 0.304 -13.782 4.547 1.00 0.00 N ATOM 1676 CA GLY A 111 0.409 -14.498 5.809 1.00 0.00 C ATOM 1677 C GLY A 111 -0.974 -14.894 6.315 1.00 0.00 C ATOM 1678 O GLY A 111 -1.968 -14.699 5.619 1.00 0.00 O ATOM 0 H GLY A 111 -0.572 -13.272 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.024 -15.389 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.908 -13.872 6.549 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.030 -15.444 7.529 1.00 0.00 N ATOM 1683 CA GLY A 112 -2.267 -15.918 8.127 1.00 0.00 C ATOM 1684 C GLY A 112 -2.676 -17.281 7.570 1.00 0.00 C ATOM 1685 O GLY A 112 -2.006 -17.846 6.706 1.00 0.00 O ATOM 0 H GLY A 112 -0.211 -15.571 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.146 -15.988 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -3.062 -15.195 7.941 1.00 0.00 H new ATOM 1689 N LYS A 113 -3.777 -17.812 8.106 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.466 -18.992 7.610 1.00 0.00 C ATOM 1691 C LYS A 113 -5.943 -18.602 7.472 1.00 0.00 C ATOM 1692 O LYS A 113 -6.557 -18.293 8.493 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.296 -20.153 8.599 1.00 0.00 C ATOM 1694 CG LYS A 113 -2.850 -20.666 8.615 1.00 0.00 C ATOM 1695 CD LYS A 113 -2.736 -21.883 9.543 1.00 0.00 C ATOM 1696 CE LYS A 113 -1.311 -22.451 9.570 1.00 0.00 C ATOM 1697 NZ LYS A 113 -0.909 -22.998 8.262 1.00 0.00 N ATOM 0 H LYS A 113 -4.226 -17.411 8.930 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.062 -19.323 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.579 -19.825 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.969 -20.966 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.540 -20.937 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.179 -19.876 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.033 -21.599 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.429 -22.657 9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.614 -21.667 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.247 -23.234 10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -0.015 -23.520 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.648 -23.641 7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.780 -22.219 7.585 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.531 -18.576 6.264 1.00 0.00 N ATOM 1712 CA PRO A 114 -5.898 -18.847 4.978 1.00 0.00 C ATOM 1713 C PRO A 114 -4.809 -17.814 4.667 1.00 0.00 C ATOM 1714 O PRO A 114 -4.752 -16.757 5.290 1.00 0.00 O ATOM 1715 CB PRO A 114 -7.034 -18.791 3.950 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.042 -17.836 4.588 1.00 0.00 C ATOM 1717 CD PRO A 114 -7.908 -18.153 6.077 1.00 0.00 C ATOM 0 HA PRO A 114 -5.396 -19.815 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.685 -18.422 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.468 -19.776 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.805 -16.794 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.054 -18.014 4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -8.135 -17.278 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.603 -18.938 6.375 1.00 0.00 H new ATOM 1725 N SER A 115 -3.934 -18.137 3.716 1.00 0.00 N ATOM 1726 CA SER A 115 -2.842 -17.290 3.277 1.00 0.00 C ATOM 1727 C SER A 115 -3.405 -16.073 2.535 1.00 0.00 C ATOM 1728 O SER A 115 -3.872 -16.198 1.403 1.00 0.00 O ATOM 1729 CB SER A 115 -1.922 -18.142 2.388 1.00 0.00 C ATOM 1730 OG SER A 115 -2.633 -19.249 1.850 1.00 0.00 O ATOM 0 H SER A 115 -3.973 -19.026 3.218 1.00 0.00 H new ATOM 0 HA SER A 115 -2.264 -16.909 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 115 -1.522 -17.531 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.071 -18.497 2.970 1.00 0.00 H new ATOM 0 HG SER A 115 -2.033 -19.780 1.285 1.00 0.00 H new ATOM 1736 N VAL A 116 -3.365 -14.900 3.170 1.00 0.00 N ATOM 1737 CA VAL A 116 -3.948 -13.668 2.659 1.00 0.00 C ATOM 1738 C VAL A 116 -2.880 -12.565 2.590 1.00 0.00 C ATOM 1739 O VAL A 116 -1.956 -12.565 3.403 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.152 -13.269 3.533 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -6.333 -14.219 3.311 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -4.818 -13.216 5.032 1.00 0.00 C ATOM 0 H VAL A 116 -2.913 -14.783 4.077 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.313 -13.820 1.643 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.424 -12.261 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.169 -13.914 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.636 -14.185 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.036 -15.235 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -5.707 -12.929 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.480 -14.198 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.029 -12.484 5.203 1.00 0.00 H new ATOM 1752 N PRO A 117 -2.974 -11.641 1.618 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.027 -10.543 1.433 1.00 0.00 C ATOM 1754 C PRO A 117 -1.987 -9.662 2.677 1.00 0.00 C ATOM 1755 O PRO A 117 -3.039 -9.337 3.219 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.517 -9.782 0.194 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.004 -10.127 0.124 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.053 -11.550 0.653 1.00 0.00 C ATOM 0 HA PRO A 117 -1.005 -10.893 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.359 -8.708 0.295 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -1.989 -10.099 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.604 -9.450 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.385 -10.062 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.015 -11.763 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.922 -12.273 -0.152 1.00 0.00 H new ATOM 1766 N VAL A 118 -0.788 -9.297 3.150 1.00 0.00 N ATOM 1767 CA VAL A 118 -0.646 -8.622 4.434 1.00 0.00 C ATOM 1768 C VAL A 118 0.511 -7.629 4.515 1.00 0.00 C ATOM 1769 O VAL A 118 0.466 -6.719 5.343 1.00 0.00 O ATOM 1770 CB VAL A 118 -0.646 -9.662 5.565 1.00 0.00 C ATOM 1771 CG1 VAL A 118 0.578 -10.579 5.510 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -0.733 -9.022 6.951 1.00 0.00 C ATOM 0 H VAL A 118 0.092 -9.460 2.660 1.00 0.00 H new ATOM 0 HA VAL A 118 -1.516 -7.977 4.555 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.542 -10.261 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.532 -11.296 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.590 -11.113 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.485 -9.981 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.729 -9.802 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.122 -8.363 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.654 -8.444 7.028 1.00 0.00 H new ATOM 1782 N HIS A 119 1.559 -7.787 3.704 1.00 0.00 N ATOM 1783 CA HIS A 119 2.666 -6.836 3.674 1.00 0.00 C ATOM 1784 C HIS A 119 2.935 -6.368 2.254 1.00 0.00 C ATOM 1785 O HIS A 119 2.754 -7.126 1.304 1.00 0.00 O ATOM 1786 CB HIS A 119 3.928 -7.445 4.292 1.00 0.00 C ATOM 1787 CG HIS A 119 3.849 -7.737 5.769 1.00 0.00 C ATOM 1788 ND1 HIS A 119 2.853 -7.328 6.637 1.00 0.00 N ATOM 1789 CD2 HIS A 119 4.790 -8.411 6.496 1.00 0.00 C ATOM 1790 CE1 HIS A 119 3.180 -7.757 7.868 1.00 0.00 C ATOM 1791 NE2 HIS A 119 4.353 -8.415 7.805 1.00 0.00 N ATOM 0 H HIS A 119 1.662 -8.569 3.057 1.00 0.00 H new ATOM 0 HA HIS A 119 2.382 -5.969 4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 119 4.158 -8.372 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 119 4.762 -6.765 4.117 1.00 0.00 H new ATOM 0 HD1 HIS A 119 2.019 -6.796 6.388 1.00 0.00 H new ATOM 0 HD2 HIS A 119 5.700 -8.855 6.119 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.596 -7.599 8.763 1.00 0.00 H new ATOM 1800 N PHE A 120 3.370 -5.112 2.127 1.00 0.00 N ATOM 1801 CA PHE A 120 3.910 -4.540 0.907 1.00 0.00 C ATOM 1802 C PHE A 120 5.422 -4.641 1.046 1.00 0.00 C ATOM 1803 O PHE A 120 5.994 -3.976 1.906 1.00 0.00 O ATOM 1804 CB PHE A 120 3.473 -3.076 0.773 1.00 0.00 C ATOM 1805 CG PHE A 120 4.116 -2.328 -0.383 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.009 -2.819 -1.699 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.871 -1.165 -0.135 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.632 -2.136 -2.759 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.505 -0.493 -1.194 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.382 -0.975 -2.508 1.00 0.00 C ATOM 0 H PHE A 120 3.352 -4.449 2.902 1.00 0.00 H new ATOM 0 HA PHE A 120 3.555 -5.061 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.390 -3.043 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.706 -2.554 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.448 -3.721 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.963 -0.788 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.533 -2.505 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.087 0.395 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.863 -0.454 -3.323 1.00 0.00 H new ATOM 1820 N ASP A 121 6.055 -5.508 0.258 1.00 0.00 N ATOM 1821 CA ASP A 121 7.499 -5.680 0.312 1.00 0.00 C ATOM 1822 C ASP A 121 8.174 -4.509 -0.398 1.00 0.00 C ATOM 1823 O ASP A 121 8.986 -3.809 0.201 1.00 0.00 O ATOM 1824 CB ASP A 121 7.896 -7.016 -0.322 1.00 0.00 C ATOM 1825 CG ASP A 121 9.393 -7.274 -0.194 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.777 -7.883 0.828 1.00 0.00 O ATOM 1827 OD2 ASP A 121 10.120 -6.870 -1.126 1.00 0.00 O ATOM 0 H ASP A 121 5.586 -6.102 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 121 7.829 -5.694 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.344 -7.825 0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.614 -7.018 -1.375 1.00 0.00 H new ATOM 1832 N ALA A 122 7.847 -4.312 -1.680 1.00 0.00 N ATOM 1833 CA ALA A 122 8.476 -3.311 -2.532 1.00 0.00 C ATOM 1834 C ALA A 122 7.745 -3.264 -3.872 1.00 0.00 C ATOM 1835 O ALA A 122 6.780 -4.000 -4.083 1.00 0.00 O ATOM 1836 CB ALA A 122 9.956 -3.666 -2.749 1.00 0.00 C ATOM 0 H ALA A 122 7.127 -4.854 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 122 8.418 -2.333 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.421 -2.914 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.468 -3.693 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.030 -4.643 -3.227 1.00 0.00 H new ATOM 1842 N SER A 123 8.225 -2.431 -4.798 1.00 0.00 N ATOM 1843 CA SER A 123 7.805 -2.419 -6.186 1.00 0.00 C ATOM 1844 C SER A 123 9.031 -2.222 -7.068 1.00 0.00 C ATOM 1845 O SER A 123 10.031 -1.665 -6.617 1.00 0.00 O ATOM 1846 CB SER A 123 6.753 -1.332 -6.421 1.00 0.00 C ATOM 1847 OG SER A 123 7.111 -0.126 -5.769 1.00 0.00 O ATOM 0 H SER A 123 8.936 -1.730 -4.589 1.00 0.00 H new ATOM 0 HA SER A 123 7.339 -3.370 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.644 -1.152 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.785 -1.673 -6.055 1.00 0.00 H new ATOM 0 HG SER A 123 6.424 0.553 -5.936 1.00 0.00 H new ATOM 1853 N VAL A 124 8.953 -2.711 -8.308 1.00 0.00 N ATOM 1854 CA VAL A 124 10.050 -2.717 -9.275 1.00 0.00 C ATOM 1855 C VAL A 124 9.502 -3.122 -10.651 1.00 0.00 C ATOM 1856 O VAL A 124 10.305 -3.212 -11.603 1.00 0.00 O ATOM 1857 CB VAL A 124 11.207 -3.617 -8.780 1.00 0.00 C ATOM 1858 CG1 VAL A 124 10.821 -5.099 -8.755 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.507 -3.429 -9.573 1.00 0.00 C ATOM 1860 OXT VAL A 124 8.268 -3.308 -10.742 1.00 0.00 O ATOM 0 H VAL A 124 8.097 -3.126 -8.677 1.00 0.00 H new ATOM 0 HA VAL A 124 10.476 -1.719 -9.376 1.00 0.00 H new ATOM 0 HB VAL A 124 11.397 -3.289 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.666 -5.689 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.972 -5.243 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.550 -5.421 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 124 13.276 -4.090 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.331 -3.669 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.838 -2.394 -9.488 1.00 0.00 H new TER 1870 VAL A 124