USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 654 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 87 THR OG1 : rot 118:sc= -2.75! USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.662 K(o=-3.4,f=-8!) USER MOD Set 2.1: A 53 THR OG1 : rot 82:sc= 1.38 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.3: A 81 SER OG : rot 98:sc= 0.0112 USER MOD Set 3.1: A 56 GLN : amide:sc= -12! C(o=-12!,f=-14!) USER MOD Set 3.2: A 67 MET CE :methyl -160:sc= -0.16 (180deg=-0.835) USER MOD Set 4.1: A 37 CYS SG : rot -108:sc= -0.0497 USER MOD Set 4.2: A 42 CYS SG : rot 76:sc= 1.06 USER MOD Set 4.3: A 45 CYS SG : rot 180:sc= 0.932 USER MOD Set 4.4: A 75 CYS SG : rot 180:sc= -4.59! USER MOD Set 5.1: A 4 THR OG1 : rot -60:sc= 0.863 USER MOD Set 5.2: A 13 THR OG1 : rot 180:sc= 0.766 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 176:sc= 0.0977 (180deg=0.00655) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0418) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0437 (180deg=-0.246) USER MOD Single : A 7 THR OG1 : rot -42:sc= 1.26 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -66:sc= -5.72! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0.583 USER MOD Single : A 35 TYR OH : rot 14:sc= 1.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -162:sc= 0.568 USER MOD Single : A 44 SER OG : rot -20:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= 0.803 (180deg=-1.62!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.48! C(o=-3.5!,f=-6.2!) USER MOD Single : A 60 SER OG : rot 132:sc= 1.18 USER MOD Single : A 66 GLN : amide:sc= -2.49! C(o=-2.5!,f=-14!) USER MOD Single : A 69 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -6.26! USER MOD Single : A 84 THR OG1 : rot -130:sc= -0.576 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.17 F(o=-2.5,f=-0.17) USER MOD Single : A 89 GLN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.532 3.964 7.660 1.00 0.00 N ATOM 2 CA MET A 0 -13.354 3.759 6.830 1.00 0.00 C ATOM 3 C MET A 0 -12.639 5.067 6.552 1.00 0.00 C ATOM 4 O MET A 0 -13.134 6.144 6.888 1.00 0.00 O ATOM 5 CB MET A 0 -13.718 3.081 5.512 1.00 0.00 C ATOM 6 CG MET A 0 -15.100 3.400 5.008 1.00 0.00 C ATOM 7 SD MET A 0 -15.361 5.154 4.679 1.00 0.00 S ATOM 8 CE MET A 0 -17.070 5.140 4.140 1.00 0.00 C ATOM 0 H1 MET A 0 -15.036 3.062 7.776 1.00 0.00 H new ATOM 0 H2 MET A 0 -14.242 4.321 8.593 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.161 4.656 7.205 1.00 0.00 H new ATOM 0 HA MET A 0 -12.681 3.106 7.386 1.00 0.00 H new ATOM 0 HB2 MET A 0 -12.992 3.374 4.754 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.630 2.002 5.637 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.283 2.836 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.832 3.064 5.742 1.00 0.00 H new ATOM 0 HE1 MET A 0 -17.384 6.156 3.898 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.168 4.510 3.256 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.700 4.746 4.938 1.00 0.00 H new ATOM 18 N TYR A 1 -11.472 4.964 5.940 1.00 0.00 N ATOM 19 CA TYR A 1 -10.670 6.128 5.620 1.00 0.00 C ATOM 20 C TYR A 1 -10.552 6.289 4.114 1.00 0.00 C ATOM 21 O TYR A 1 -10.541 5.304 3.372 1.00 0.00 O ATOM 22 CB TYR A 1 -9.274 6.004 6.225 1.00 0.00 C ATOM 23 CG TYR A 1 -9.264 5.719 7.713 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.381 4.420 8.200 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.135 6.753 8.630 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.361 4.169 9.559 1.00 0.00 C ATOM 27 CE2 TYR A 1 -9.120 6.506 9.988 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.230 5.213 10.446 1.00 0.00 C ATOM 29 OH TYR A 1 -9.222 4.960 11.799 1.00 0.00 O ATOM 0 H TYR A 1 -11.058 4.077 5.653 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.164 7.004 6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.737 5.207 5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.727 6.928 6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.489 3.598 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -9.045 7.769 8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.448 3.156 9.924 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -9.022 7.323 10.687 1.00 0.00 H new ATOM 0 HH TYR A 1 -9.121 5.803 12.289 1.00 0.00 H new ATOM 39 N LYS A 2 -10.466 7.532 3.677 1.00 0.00 N ATOM 40 CA LYS A 2 -10.318 7.849 2.269 1.00 0.00 C ATOM 41 C LYS A 2 -8.864 7.739 1.852 1.00 0.00 C ATOM 42 O LYS A 2 -8.036 8.570 2.217 1.00 0.00 O ATOM 43 CB LYS A 2 -10.845 9.261 1.998 1.00 0.00 C ATOM 44 CG LYS A 2 -10.616 9.764 0.589 1.00 0.00 C ATOM 45 CD LYS A 2 -11.011 11.228 0.444 1.00 0.00 C ATOM 46 CE LYS A 2 -12.431 11.491 0.933 1.00 0.00 C ATOM 47 NZ LYS A 2 -13.440 10.662 0.219 1.00 0.00 N ATOM 0 H LYS A 2 -10.497 8.349 4.287 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.897 7.136 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.915 9.281 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.371 9.951 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.565 9.642 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.193 9.160 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.314 11.848 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.928 11.523 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.488 11.287 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.670 12.546 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.395 10.937 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.349 10.811 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.282 9.658 0.438 1.00 0.00 H new ATOM 61 N VAL A 3 -8.558 6.692 1.114 1.00 0.00 N ATOM 62 CA VAL A 3 -7.222 6.475 0.616 1.00 0.00 C ATOM 63 C VAL A 3 -7.217 6.509 -0.906 1.00 0.00 C ATOM 64 O VAL A 3 -7.961 5.785 -1.570 1.00 0.00 O ATOM 65 CB VAL A 3 -6.631 5.150 1.161 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.712 4.342 1.852 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.947 4.327 0.081 1.00 0.00 C ATOM 0 H VAL A 3 -9.228 5.972 0.845 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.582 7.281 0.974 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.860 5.412 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.286 3.413 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.123 4.918 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.506 4.113 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.551 3.410 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.668 4.076 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.130 4.904 -0.353 1.00 0.00 H new ATOM 77 N THR A 4 -6.405 7.394 -1.438 1.00 0.00 N ATOM 78 CA THR A 4 -6.240 7.528 -2.867 1.00 0.00 C ATOM 79 C THR A 4 -5.083 6.668 -3.333 1.00 0.00 C ATOM 80 O THR A 4 -3.925 7.007 -3.126 1.00 0.00 O ATOM 81 CB THR A 4 -5.984 8.997 -3.239 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.117 9.791 -2.861 1.00 0.00 O ATOM 83 CG2 THR A 4 -5.710 9.159 -4.727 1.00 0.00 C ATOM 0 H THR A 4 -5.839 8.043 -0.891 1.00 0.00 H new ATOM 0 HA THR A 4 -7.154 7.197 -3.359 1.00 0.00 H new ATOM 0 HB THR A 4 -5.098 9.334 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.915 9.465 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.534 10.211 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.830 8.577 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.570 8.805 -5.296 1.00 0.00 H new ATOM 91 N LEU A 5 -5.387 5.550 -3.954 1.00 0.00 N ATOM 92 CA LEU A 5 -4.354 4.650 -4.372 1.00 0.00 C ATOM 93 C LEU A 5 -3.840 5.037 -5.723 1.00 0.00 C ATOM 94 O LEU A 5 -4.595 5.181 -6.685 1.00 0.00 O ATOM 95 CB LEU A 5 -4.821 3.207 -4.363 1.00 0.00 C ATOM 96 CG LEU A 5 -4.786 2.561 -2.983 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.145 2.001 -2.641 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.730 1.469 -2.928 1.00 0.00 C ATOM 0 H LEU A 5 -6.336 5.250 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.539 4.727 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.839 3.161 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.195 2.628 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.524 3.322 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.111 1.541 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.881 2.805 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.426 1.251 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.721 1.021 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.959 0.704 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.751 1.899 -3.141 1.00 0.00 H new ATOM 110 N LYS A 6 -2.548 5.213 -5.783 1.00 0.00 N ATOM 111 CA LYS A 6 -1.908 5.609 -6.996 1.00 0.00 C ATOM 112 C LYS A 6 -1.364 4.409 -7.730 1.00 0.00 C ATOM 113 O LYS A 6 -0.379 3.785 -7.337 1.00 0.00 O ATOM 114 CB LYS A 6 -0.838 6.631 -6.672 1.00 0.00 C ATOM 115 CG LYS A 6 -1.410 8.022 -6.705 1.00 0.00 C ATOM 116 CD LYS A 6 -0.768 8.942 -5.709 1.00 0.00 C ATOM 117 CE LYS A 6 0.677 9.223 -6.031 1.00 0.00 C ATOM 118 NZ LYS A 6 0.843 9.919 -7.334 1.00 0.00 N ATOM 0 H LYS A 6 -1.916 5.085 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.629 6.073 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.419 6.427 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.021 6.550 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.287 8.436 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.481 7.973 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.320 9.882 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.836 8.500 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.111 9.833 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.231 8.285 -6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.814 10.284 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.662 9.251 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.170 10.709 -7.394 1.00 0.00 H new ATOM 132 N THR A 7 -2.054 4.095 -8.802 1.00 0.00 N ATOM 133 CA THR A 7 -1.751 2.951 -9.620 1.00 0.00 C ATOM 134 C THR A 7 -0.990 3.415 -10.847 1.00 0.00 C ATOM 135 O THR A 7 -0.994 4.603 -11.167 1.00 0.00 O ATOM 136 CB THR A 7 -3.054 2.228 -10.049 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.749 2.995 -11.041 1.00 0.00 O ATOM 138 CG2 THR A 7 -3.979 2.011 -8.856 1.00 0.00 C ATOM 0 H THR A 7 -2.852 4.637 -9.132 1.00 0.00 H new ATOM 0 HA THR A 7 -1.144 2.249 -9.048 1.00 0.00 H new ATOM 0 HB THR A 7 -2.771 1.260 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.723 3.944 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.885 1.502 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.472 1.401 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.242 2.975 -8.420 1.00 0.00 H new ATOM 146 N PRO A 8 -0.316 2.491 -11.535 1.00 0.00 N ATOM 147 CA PRO A 8 0.386 2.789 -12.788 1.00 0.00 C ATOM 148 C PRO A 8 -0.551 3.312 -13.881 1.00 0.00 C ATOM 149 O PRO A 8 -0.105 3.712 -14.956 1.00 0.00 O ATOM 150 CB PRO A 8 0.982 1.444 -13.198 1.00 0.00 C ATOM 151 CG PRO A 8 1.007 0.628 -11.950 1.00 0.00 C ATOM 152 CD PRO A 8 -0.153 1.089 -11.127 1.00 0.00 C ATOM 0 HA PRO A 8 1.128 3.576 -12.653 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.379 0.965 -13.969 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.984 1.567 -13.608 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.925 -0.435 -12.178 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.945 0.767 -11.413 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.049 0.503 -11.330 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.050 1.001 -10.060 1.00 0.00 H new ATOM 160 N SER A 9 -1.849 3.286 -13.602 1.00 0.00 N ATOM 161 CA SER A 9 -2.848 3.798 -14.513 1.00 0.00 C ATOM 162 C SER A 9 -3.431 5.124 -14.006 1.00 0.00 C ATOM 163 O SER A 9 -4.175 5.801 -14.718 1.00 0.00 O ATOM 164 CB SER A 9 -3.954 2.761 -14.659 1.00 0.00 C ATOM 165 OG SER A 9 -3.415 1.498 -15.018 1.00 0.00 O ATOM 0 H SER A 9 -2.232 2.908 -12.736 1.00 0.00 H new ATOM 0 HA SER A 9 -2.384 3.989 -15.480 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.503 2.674 -13.722 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.666 3.086 -15.417 1.00 0.00 H new ATOM 0 HG SER A 9 -4.141 0.845 -15.105 1.00 0.00 H new ATOM 171 N GLY A 10 -3.088 5.494 -12.777 1.00 0.00 N ATOM 172 CA GLY A 10 -3.615 6.716 -12.194 1.00 0.00 C ATOM 173 C GLY A 10 -4.043 6.537 -10.747 1.00 0.00 C ATOM 174 O GLY A 10 -3.950 5.442 -10.196 1.00 0.00 O ATOM 0 H GLY A 10 -2.454 4.970 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.857 7.497 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.468 7.056 -12.782 1.00 0.00 H new ATOM 178 N ASP A 11 -4.519 7.610 -10.136 1.00 0.00 N ATOM 179 CA ASP A 11 -4.928 7.588 -8.733 1.00 0.00 C ATOM 180 C ASP A 11 -6.441 7.440 -8.612 1.00 0.00 C ATOM 181 O ASP A 11 -7.206 8.030 -9.380 1.00 0.00 O ATOM 182 CB ASP A 11 -4.450 8.865 -8.025 1.00 0.00 C ATOM 183 CG ASP A 11 -5.169 10.115 -8.500 1.00 0.00 C ATOM 184 OD1 ASP A 11 -4.746 10.690 -9.524 1.00 0.00 O ATOM 185 OD2 ASP A 11 -6.153 10.531 -7.851 1.00 0.00 O ATOM 0 H ASP A 11 -4.634 8.516 -10.591 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.467 6.726 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.598 8.754 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.379 8.985 -8.189 1.00 0.00 H new ATOM 190 N LYS A 12 -6.857 6.610 -7.667 1.00 0.00 N ATOM 191 CA LYS A 12 -8.270 6.365 -7.406 1.00 0.00 C ATOM 192 C LYS A 12 -8.514 6.296 -5.907 1.00 0.00 C ATOM 193 O LYS A 12 -7.725 5.707 -5.172 1.00 0.00 O ATOM 194 CB LYS A 12 -8.696 5.049 -8.049 1.00 0.00 C ATOM 195 CG LYS A 12 -10.178 4.703 -7.880 1.00 0.00 C ATOM 196 CD LYS A 12 -11.060 5.539 -8.789 1.00 0.00 C ATOM 197 CE LYS A 12 -10.817 5.206 -10.251 1.00 0.00 C ATOM 198 NZ LYS A 12 -11.661 6.032 -11.157 1.00 0.00 N ATOM 0 H LYS A 12 -6.226 6.087 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.854 7.181 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.466 5.090 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.098 4.243 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.331 3.646 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.472 4.861 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.108 5.365 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.864 6.597 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.765 5.365 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.026 4.150 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.465 5.774 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.665 5.861 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.443 7.039 -11.012 1.00 0.00 H new ATOM 212 N THR A 13 -9.603 6.879 -5.460 1.00 0.00 N ATOM 213 CA THR A 13 -9.919 6.908 -4.046 1.00 0.00 C ATOM 214 C THR A 13 -10.811 5.750 -3.648 1.00 0.00 C ATOM 215 O THR A 13 -11.884 5.533 -4.214 1.00 0.00 O ATOM 216 CB THR A 13 -10.591 8.230 -3.666 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.695 9.319 -3.939 1.00 0.00 O ATOM 218 CG2 THR A 13 -10.992 8.240 -2.194 1.00 0.00 C ATOM 0 H THR A 13 -10.289 7.342 -6.056 1.00 0.00 H new ATOM 0 HA THR A 13 -8.977 6.816 -3.505 1.00 0.00 H new ATOM 0 HB THR A 13 -11.497 8.342 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.126 10.165 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.467 9.191 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.691 7.426 -2.002 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.105 8.110 -1.574 1.00 0.00 H new ATOM 226 N ILE A 14 -10.339 5.009 -2.669 1.00 0.00 N ATOM 227 CA ILE A 14 -11.088 3.935 -2.087 1.00 0.00 C ATOM 228 C ILE A 14 -11.505 4.336 -0.679 1.00 0.00 C ATOM 229 O ILE A 14 -11.038 5.349 -0.151 1.00 0.00 O ATOM 230 CB ILE A 14 -10.243 2.655 -1.993 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.131 2.823 -0.977 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.640 2.289 -3.326 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.642 1.514 -0.403 1.00 0.00 C ATOM 0 H ILE A 14 -9.416 5.142 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.956 3.739 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.911 1.853 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.295 3.341 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.484 3.459 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.049 1.379 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.436 2.123 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.998 3.100 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.847 1.707 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.467 1.004 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.259 0.885 -1.207 1.00 0.00 H new ATOM 245 N GLU A 15 -12.364 3.545 -0.070 1.00 0.00 N ATOM 246 CA GLU A 15 -12.728 3.758 1.316 1.00 0.00 C ATOM 247 C GLU A 15 -12.487 2.475 2.084 1.00 0.00 C ATOM 248 O GLU A 15 -13.315 1.563 2.079 1.00 0.00 O ATOM 249 CB GLU A 15 -14.184 4.212 1.404 1.00 0.00 C ATOM 250 CG GLU A 15 -14.437 5.501 0.635 1.00 0.00 C ATOM 251 CD GLU A 15 -15.876 5.957 0.684 1.00 0.00 C ATOM 252 OE1 GLU A 15 -16.732 5.310 0.051 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.152 6.986 1.334 1.00 0.00 O ATOM 0 H GLU A 15 -12.823 2.749 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.116 4.544 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.831 3.426 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.454 4.357 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.800 6.288 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.144 5.358 -0.405 1.00 0.00 H new ATOM 260 N CYS A 16 -11.338 2.414 2.744 1.00 0.00 N ATOM 261 CA CYS A 16 -10.900 1.198 3.396 1.00 0.00 C ATOM 262 C CYS A 16 -11.156 1.271 4.891 1.00 0.00 C ATOM 263 O CYS A 16 -10.679 2.187 5.565 1.00 0.00 O ATOM 264 CB CYS A 16 -9.418 0.971 3.144 1.00 0.00 C ATOM 265 SG CYS A 16 -8.942 -0.757 3.255 1.00 0.00 S ATOM 0 H CYS A 16 -10.694 3.199 2.839 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.468 0.365 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.161 1.350 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.840 1.548 3.866 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.085 -1.169 4.480 1.00 0.00 H new ATOM 271 N PRO A 17 -11.947 0.327 5.419 1.00 0.00 N ATOM 272 CA PRO A 17 -12.265 0.265 6.848 1.00 0.00 C ATOM 273 C PRO A 17 -11.030 0.079 7.724 1.00 0.00 C ATOM 274 O PRO A 17 -9.990 -0.397 7.270 1.00 0.00 O ATOM 275 CB PRO A 17 -13.169 -0.962 6.966 1.00 0.00 C ATOM 276 CG PRO A 17 -13.703 -1.183 5.597 1.00 0.00 C ATOM 277 CD PRO A 17 -12.622 -0.737 4.660 1.00 0.00 C ATOM 0 HA PRO A 17 -12.723 1.194 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.611 -1.830 7.316 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.974 -0.791 7.680 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.949 -2.233 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.618 -0.613 5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.941 -1.551 4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.030 -0.366 3.720 1.00 0.00 H new ATOM 285 N ALA A 18 -11.185 0.415 8.996 1.00 0.00 N ATOM 286 CA ALA A 18 -10.085 0.392 9.956 1.00 0.00 C ATOM 287 C ALA A 18 -9.763 -1.023 10.427 1.00 0.00 C ATOM 288 O ALA A 18 -8.981 -1.211 11.360 1.00 0.00 O ATOM 289 CB ALA A 18 -10.422 1.271 11.148 1.00 0.00 C ATOM 0 H ALA A 18 -12.076 0.712 9.394 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.200 0.778 9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.597 1.250 11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.584 2.295 10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.327 0.900 11.629 1.00 0.00 H new ATOM 295 N ASP A 19 -10.396 -2.009 9.811 1.00 0.00 N ATOM 296 CA ASP A 19 -10.133 -3.410 10.127 1.00 0.00 C ATOM 297 C ASP A 19 -9.976 -4.243 8.855 1.00 0.00 C ATOM 298 O ASP A 19 -9.672 -5.434 8.915 1.00 0.00 O ATOM 299 CB ASP A 19 -11.255 -3.991 10.988 1.00 0.00 C ATOM 300 CG ASP A 19 -12.516 -4.275 10.196 1.00 0.00 C ATOM 301 OD1 ASP A 19 -13.024 -3.357 9.520 1.00 0.00 O ATOM 302 OD2 ASP A 19 -12.998 -5.426 10.239 1.00 0.00 O ATOM 0 H ASP A 19 -11.099 -1.867 9.086 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.198 -3.450 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.909 -4.913 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.487 -3.294 11.794 1.00 0.00 H new ATOM 307 N THR A 20 -10.179 -3.610 7.709 1.00 0.00 N ATOM 308 CA THR A 20 -10.153 -4.301 6.433 1.00 0.00 C ATOM 309 C THR A 20 -8.992 -3.799 5.590 1.00 0.00 C ATOM 310 O THR A 20 -8.836 -2.599 5.415 1.00 0.00 O ATOM 311 CB THR A 20 -11.478 -4.078 5.679 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.549 -4.744 6.362 1.00 0.00 O ATOM 313 CG2 THR A 20 -11.394 -4.566 4.241 1.00 0.00 C ATOM 0 H THR A 20 -10.365 -2.610 7.639 1.00 0.00 H new ATOM 0 HA THR A 20 -10.025 -5.368 6.618 1.00 0.00 H new ATOM 0 HB THR A 20 -11.672 -3.006 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.388 -4.596 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.347 -4.392 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.606 -4.024 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.169 -5.632 4.231 1.00 0.00 H new ATOM 321 N TYR A 21 -8.192 -4.725 5.066 1.00 0.00 N ATOM 322 CA TYR A 21 -6.974 -4.370 4.341 1.00 0.00 C ATOM 323 C TYR A 21 -7.287 -3.670 3.023 1.00 0.00 C ATOM 324 O TYR A 21 -8.275 -3.997 2.361 1.00 0.00 O ATOM 325 CB TYR A 21 -6.106 -5.613 4.102 1.00 0.00 C ATOM 326 CG TYR A 21 -6.804 -6.748 3.377 1.00 0.00 C ATOM 327 CD1 TYR A 21 -7.595 -7.657 4.065 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.659 -6.918 2.006 1.00 0.00 C ATOM 329 CE1 TYR A 21 -8.224 -8.697 3.410 1.00 0.00 C ATOM 330 CE2 TYR A 21 -7.284 -7.959 1.346 1.00 0.00 C ATOM 331 CZ TYR A 21 -8.064 -8.844 2.051 1.00 0.00 C ATOM 332 OH TYR A 21 -8.686 -9.880 1.397 1.00 0.00 O ATOM 0 H TYR A 21 -8.366 -5.728 5.130 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.415 -3.668 4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.227 -5.320 3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.750 -5.980 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.721 -7.549 5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.048 -6.225 1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.839 -9.392 3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.160 -8.077 0.280 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.518 -10.108 1.862 1.00 0.00 H new ATOM 342 N ILE A 22 -6.431 -2.707 2.665 1.00 0.00 N ATOM 343 CA ILE A 22 -6.662 -1.809 1.533 1.00 0.00 C ATOM 344 C ILE A 22 -7.160 -2.541 0.290 1.00 0.00 C ATOM 345 O ILE A 22 -8.115 -2.089 -0.324 1.00 0.00 O ATOM 346 CB ILE A 22 -5.393 -0.993 1.194 1.00 0.00 C ATOM 347 CG1 ILE A 22 -5.183 0.091 2.255 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.524 -0.368 -0.186 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.734 0.323 2.660 1.00 0.00 C ATOM 0 H ILE A 22 -5.555 -2.529 3.156 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.450 -1.125 1.847 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.529 -1.657 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.595 1.029 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.755 -0.176 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.624 0.204 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.652 -1.154 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.389 0.294 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.688 1.108 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.319 -0.598 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.156 0.625 1.787 1.00 0.00 H new ATOM 361 N LEU A 23 -6.542 -3.682 -0.042 1.00 0.00 N ATOM 362 CA LEU A 23 -6.846 -4.409 -1.287 1.00 0.00 C ATOM 363 C LEU A 23 -8.351 -4.546 -1.536 1.00 0.00 C ATOM 364 O LEU A 23 -8.812 -4.346 -2.655 1.00 0.00 O ATOM 365 CB LEU A 23 -6.238 -5.815 -1.292 1.00 0.00 C ATOM 366 CG LEU A 23 -4.733 -5.922 -1.046 1.00 0.00 C ATOM 367 CD1 LEU A 23 -4.313 -7.381 -1.095 1.00 0.00 C ATOM 368 CD2 LEU A 23 -3.953 -5.124 -2.072 1.00 0.00 C ATOM 0 H LEU A 23 -5.826 -4.125 0.534 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.402 -3.808 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.748 -6.407 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.457 -6.275 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.514 -5.510 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.240 -7.457 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.847 -7.939 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.551 -7.795 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.886 -5.219 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.170 -5.504 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.241 -4.075 -2.013 1.00 0.00 H new ATOM 380 N ASP A 24 -9.112 -4.864 -0.491 1.00 0.00 N ATOM 381 CA ASP A 24 -10.553 -5.112 -0.630 1.00 0.00 C ATOM 382 C ASP A 24 -11.262 -3.885 -1.193 1.00 0.00 C ATOM 383 O ASP A 24 -12.004 -3.959 -2.175 1.00 0.00 O ATOM 384 CB ASP A 24 -11.155 -5.466 0.729 1.00 0.00 C ATOM 385 CG ASP A 24 -12.571 -5.997 0.629 1.00 0.00 C ATOM 386 OD1 ASP A 24 -13.524 -5.189 0.599 1.00 0.00 O ATOM 387 OD2 ASP A 24 -12.737 -7.235 0.592 1.00 0.00 O ATOM 0 H ASP A 24 -8.759 -4.957 0.462 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.690 -5.945 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.527 -6.212 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.149 -4.581 1.365 1.00 0.00 H new ATOM 392 N ALA A 25 -11.007 -2.755 -0.567 1.00 0.00 N ATOM 393 CA ALA A 25 -11.559 -1.485 -1.002 1.00 0.00 C ATOM 394 C ALA A 25 -10.868 -1.022 -2.281 1.00 0.00 C ATOM 395 O ALA A 25 -11.459 -0.334 -3.113 1.00 0.00 O ATOM 396 CB ALA A 25 -11.412 -0.476 0.123 1.00 0.00 C ATOM 0 H ALA A 25 -10.411 -2.689 0.258 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.619 -1.591 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.823 0.483 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.950 -0.830 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.357 -0.355 0.368 1.00 0.00 H new ATOM 402 N ALA A 26 -9.615 -1.424 -2.424 1.00 0.00 N ATOM 403 CA ALA A 26 -8.804 -1.107 -3.588 1.00 0.00 C ATOM 404 C ALA A 26 -9.446 -1.646 -4.871 1.00 0.00 C ATOM 405 O ALA A 26 -9.635 -0.911 -5.839 1.00 0.00 O ATOM 406 CB ALA A 26 -7.410 -1.681 -3.418 1.00 0.00 C ATOM 0 H ALA A 26 -9.127 -1.986 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.738 -0.022 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.808 -1.440 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.946 -1.253 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.473 -2.764 -3.308 1.00 0.00 H new ATOM 412 N GLU A 27 -9.792 -2.931 -4.867 1.00 0.00 N ATOM 413 CA GLU A 27 -10.412 -3.557 -6.023 1.00 0.00 C ATOM 414 C GLU A 27 -11.818 -3.024 -6.230 1.00 0.00 C ATOM 415 O GLU A 27 -12.297 -2.935 -7.359 1.00 0.00 O ATOM 416 CB GLU A 27 -10.444 -5.068 -5.867 1.00 0.00 C ATOM 417 CG GLU A 27 -10.860 -5.539 -4.486 1.00 0.00 C ATOM 418 CD GLU A 27 -11.153 -7.022 -4.441 1.00 0.00 C ATOM 419 OE1 GLU A 27 -10.217 -7.813 -4.210 1.00 0.00 O ATOM 420 OE2 GLU A 27 -12.322 -7.407 -4.652 1.00 0.00 O ATOM 0 H GLU A 27 -9.652 -3.556 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.812 -3.312 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.131 -5.484 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.455 -5.467 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.069 -5.307 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.745 -4.988 -4.170 1.00 0.00 H new ATOM 427 N GLU A 28 -12.469 -2.676 -5.128 1.00 0.00 N ATOM 428 CA GLU A 28 -13.781 -2.048 -5.167 1.00 0.00 C ATOM 429 C GLU A 28 -13.716 -0.777 -5.999 1.00 0.00 C ATOM 430 O GLU A 28 -14.620 -0.462 -6.774 1.00 0.00 O ATOM 431 CB GLU A 28 -14.214 -1.705 -3.748 1.00 0.00 C ATOM 432 CG GLU A 28 -15.700 -1.891 -3.499 1.00 0.00 C ATOM 433 CD GLU A 28 -16.068 -1.765 -2.037 1.00 0.00 C ATOM 434 OE1 GLU A 28 -16.224 -0.627 -1.548 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.205 -2.808 -1.364 1.00 0.00 O ATOM 0 H GLU A 28 -12.104 -2.821 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.500 -2.734 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.657 -2.327 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.946 -0.670 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.256 -1.151 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.005 -2.872 -3.863 1.00 0.00 H new ATOM 442 N ALA A 29 -12.624 -0.060 -5.815 1.00 0.00 N ATOM 443 CA ALA A 29 -12.355 1.164 -6.569 1.00 0.00 C ATOM 444 C ALA A 29 -11.997 0.871 -8.025 1.00 0.00 C ATOM 445 O ALA A 29 -12.209 1.708 -8.903 1.00 0.00 O ATOM 446 CB ALA A 29 -11.248 1.943 -5.909 1.00 0.00 C ATOM 0 H ALA A 29 -11.896 -0.303 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.268 1.759 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.054 2.853 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.543 2.206 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.344 1.335 -5.878 1.00 0.00 H new ATOM 452 N GLY A 30 -11.442 -0.307 -8.279 1.00 0.00 N ATOM 453 CA GLY A 30 -11.193 -0.720 -9.647 1.00 0.00 C ATOM 454 C GLY A 30 -9.724 -0.786 -10.002 1.00 0.00 C ATOM 455 O GLY A 30 -9.368 -0.760 -11.180 1.00 0.00 O ATOM 0 H GLY A 30 -11.161 -0.981 -7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.642 -1.700 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.691 -0.026 -10.324 1.00 0.00 H new ATOM 459 N LEU A 31 -8.862 -0.860 -9.002 1.00 0.00 N ATOM 460 CA LEU A 31 -7.430 -0.905 -9.251 1.00 0.00 C ATOM 461 C LEU A 31 -6.994 -2.294 -9.692 1.00 0.00 C ATOM 462 O LEU A 31 -7.553 -3.300 -9.249 1.00 0.00 O ATOM 463 CB LEU A 31 -6.673 -0.533 -7.987 1.00 0.00 C ATOM 464 CG LEU A 31 -7.344 0.519 -7.117 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.485 0.805 -5.918 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.617 1.798 -7.887 1.00 0.00 C ATOM 0 H LEU A 31 -9.125 -0.890 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.207 -0.194 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.526 -1.434 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.684 -0.172 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.307 0.124 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.968 1.559 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.350 -0.110 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.513 1.173 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.097 2.523 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.677 2.209 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.274 1.582 -8.730 1.00 0.00 H new ATOM 478 N ASP A 32 -6.003 -2.335 -10.570 1.00 0.00 N ATOM 479 CA ASP A 32 -5.366 -3.584 -10.967 1.00 0.00 C ATOM 480 C ASP A 32 -4.671 -4.210 -9.771 1.00 0.00 C ATOM 481 O ASP A 32 -3.574 -3.805 -9.394 1.00 0.00 O ATOM 482 CB ASP A 32 -4.358 -3.335 -12.095 1.00 0.00 C ATOM 483 CG ASP A 32 -3.438 -4.518 -12.342 1.00 0.00 C ATOM 484 OD1 ASP A 32 -3.911 -5.552 -12.854 1.00 0.00 O ATOM 485 OD2 ASP A 32 -2.231 -4.415 -12.024 1.00 0.00 O ATOM 0 H ASP A 32 -5.618 -1.508 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.131 -4.269 -11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.898 -3.104 -13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.757 -2.459 -11.851 1.00 0.00 H new ATOM 490 N LEU A 33 -5.331 -5.167 -9.151 1.00 0.00 N ATOM 491 CA LEU A 33 -4.799 -5.788 -7.958 1.00 0.00 C ATOM 492 C LEU A 33 -3.958 -7.018 -8.243 1.00 0.00 C ATOM 493 O LEU A 33 -4.336 -7.878 -9.041 1.00 0.00 O ATOM 494 CB LEU A 33 -5.918 -6.187 -7.016 1.00 0.00 C ATOM 495 CG LEU A 33 -6.209 -5.197 -5.902 1.00 0.00 C ATOM 496 CD1 LEU A 33 -7.147 -5.832 -4.901 1.00 0.00 C ATOM 497 CD2 LEU A 33 -4.918 -4.750 -5.230 1.00 0.00 C ATOM 0 H LEU A 33 -6.235 -5.530 -9.454 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.156 -5.036 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.828 -6.332 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.669 -7.150 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.686 -4.312 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.358 -5.124 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.078 -6.106 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.683 -6.725 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.148 -4.041 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.409 -5.616 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.271 -4.272 -5.966 1.00 0.00 H new ATOM 509 N PRO A 34 -2.789 -7.091 -7.597 1.00 0.00 N ATOM 510 CA PRO A 34 -2.021 -8.334 -7.462 1.00 0.00 C ATOM 511 C PRO A 34 -2.753 -9.351 -6.584 1.00 0.00 C ATOM 512 O PRO A 34 -3.418 -8.979 -5.616 1.00 0.00 O ATOM 513 CB PRO A 34 -0.740 -7.877 -6.755 1.00 0.00 C ATOM 514 CG PRO A 34 -1.139 -6.628 -6.048 1.00 0.00 C ATOM 515 CD PRO A 34 -2.090 -5.952 -6.973 1.00 0.00 C ATOM 0 HA PRO A 34 -1.852 -8.823 -8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.379 -8.632 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.064 -7.692 -7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.609 -6.849 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.274 -5.998 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.778 -5.296 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.572 -5.339 -7.711 1.00 0.00 H new ATOM 523 N TYR A 35 -2.635 -10.625 -6.922 1.00 0.00 N ATOM 524 CA TYR A 35 -3.205 -11.686 -6.102 1.00 0.00 C ATOM 525 C TYR A 35 -2.194 -12.810 -5.918 1.00 0.00 C ATOM 526 O TYR A 35 -1.446 -13.138 -6.839 1.00 0.00 O ATOM 527 CB TYR A 35 -4.489 -12.242 -6.729 1.00 0.00 C ATOM 528 CG TYR A 35 -5.675 -11.305 -6.651 1.00 0.00 C ATOM 529 CD1 TYR A 35 -6.390 -11.155 -5.467 1.00 0.00 C ATOM 530 CD2 TYR A 35 -6.089 -10.579 -7.761 1.00 0.00 C ATOM 531 CE1 TYR A 35 -7.483 -10.311 -5.394 1.00 0.00 C ATOM 532 CE2 TYR A 35 -7.178 -9.731 -7.694 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.871 -9.602 -6.511 1.00 0.00 C ATOM 534 OH TYR A 35 -8.962 -8.761 -6.448 1.00 0.00 O ATOM 0 H TYR A 35 -2.150 -10.951 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.454 -11.260 -5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.296 -12.479 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.746 -13.178 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.086 -11.707 -4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.551 -10.679 -8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.029 -10.208 -4.468 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.484 -9.172 -8.566 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.202 -8.606 -5.511 1.00 0.00 H new ATOM 544 N SER A 36 -2.174 -13.390 -4.725 1.00 0.00 N ATOM 545 CA SER A 36 -1.281 -14.497 -4.419 1.00 0.00 C ATOM 546 C SER A 36 -1.629 -15.093 -3.060 1.00 0.00 C ATOM 547 O SER A 36 -2.284 -16.132 -2.978 1.00 0.00 O ATOM 548 CB SER A 36 0.185 -14.045 -4.445 1.00 0.00 C ATOM 549 OG SER A 36 1.063 -15.119 -4.150 1.00 0.00 O ATOM 0 H SER A 36 -2.772 -13.108 -3.948 1.00 0.00 H new ATOM 0 HA SER A 36 -1.412 -15.262 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.424 -13.637 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.333 -13.243 -3.722 1.00 0.00 H new ATOM 0 HG SER A 36 1.989 -14.801 -4.176 1.00 0.00 H new ATOM 555 N CYS A 37 -1.189 -14.438 -1.995 1.00 0.00 N ATOM 556 CA CYS A 37 -1.472 -14.904 -0.649 1.00 0.00 C ATOM 557 C CYS A 37 -2.506 -14.017 0.037 1.00 0.00 C ATOM 558 O CYS A 37 -3.466 -14.511 0.633 1.00 0.00 O ATOM 559 CB CYS A 37 -0.183 -14.928 0.176 1.00 0.00 C ATOM 560 SG CYS A 37 0.542 -13.292 0.472 1.00 0.00 S ATOM 0 H CYS A 37 -0.635 -13.583 -2.039 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.880 -15.912 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.388 -15.401 1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.551 -15.551 -0.336 1.00 0.00 H new ATOM 0 HG CYS A 37 1.623 -13.161 -0.238 1.00 0.00 H new ATOM 565 N ARG A 38 -2.302 -12.702 -0.062 1.00 0.00 N ATOM 566 CA ARG A 38 -3.028 -11.736 0.756 1.00 0.00 C ATOM 567 C ARG A 38 -2.768 -12.030 2.226 1.00 0.00 C ATOM 568 O ARG A 38 -3.652 -11.905 3.078 1.00 0.00 O ATOM 569 CB ARG A 38 -4.527 -11.724 0.441 1.00 0.00 C ATOM 570 CG ARG A 38 -4.863 -10.949 -0.821 1.00 0.00 C ATOM 571 CD ARG A 38 -6.360 -10.899 -1.070 1.00 0.00 C ATOM 572 NE ARG A 38 -6.897 -12.195 -1.478 1.00 0.00 N ATOM 573 CZ ARG A 38 -8.163 -12.566 -1.298 1.00 0.00 C ATOM 574 NH1 ARG A 38 -8.998 -11.786 -0.620 1.00 0.00 N ATOM 575 NH2 ARG A 38 -8.586 -13.731 -1.769 1.00 0.00 N ATOM 0 H ARG A 38 -1.633 -12.282 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.662 -10.737 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.878 -12.750 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.066 -11.288 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.474 -9.934 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.368 -11.412 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.866 -10.567 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.573 -10.160 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.264 -12.856 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.670 -10.900 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.967 -12.073 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.942 -14.343 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.556 -14.015 -1.631 1.00 0.00 H new ATOM 589 N ALA A 39 -1.538 -12.446 2.500 1.00 0.00 N ATOM 590 CA ALA A 39 -1.103 -12.773 3.847 1.00 0.00 C ATOM 591 C ALA A 39 0.350 -12.354 4.059 1.00 0.00 C ATOM 592 O ALA A 39 0.987 -12.754 5.034 1.00 0.00 O ATOM 593 CB ALA A 39 -1.274 -14.261 4.109 1.00 0.00 C ATOM 0 H ALA A 39 -0.814 -12.566 1.791 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.723 -12.223 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.944 -14.492 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.324 -14.532 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.676 -14.827 3.395 1.00 0.00 H new ATOM 599 N GLY A 40 0.873 -11.559 3.128 1.00 0.00 N ATOM 600 CA GLY A 40 2.220 -11.032 3.262 1.00 0.00 C ATOM 601 C GLY A 40 3.301 -12.055 2.961 1.00 0.00 C ATOM 602 O GLY A 40 4.303 -12.130 3.673 1.00 0.00 O ATOM 0 H GLY A 40 0.385 -11.270 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.338 -10.182 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.357 -10.658 4.277 1.00 0.00 H new ATOM 606 N ALA A 41 3.109 -12.839 1.909 1.00 0.00 N ATOM 607 CA ALA A 41 4.096 -13.837 1.513 1.00 0.00 C ATOM 608 C ALA A 41 5.002 -13.309 0.407 1.00 0.00 C ATOM 609 O ALA A 41 6.005 -13.931 0.059 1.00 0.00 O ATOM 610 CB ALA A 41 3.410 -15.113 1.062 1.00 0.00 C ATOM 0 H ALA A 41 2.281 -12.804 1.315 1.00 0.00 H new ATOM 0 HA ALA A 41 4.715 -14.057 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.162 -15.847 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.811 -15.513 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.764 -14.897 0.211 1.00 0.00 H new ATOM 616 N CYS A 42 4.643 -12.166 -0.146 1.00 0.00 N ATOM 617 CA CYS A 42 5.466 -11.503 -1.140 1.00 0.00 C ATOM 618 C CYS A 42 5.499 -10.001 -0.874 1.00 0.00 C ATOM 619 O CYS A 42 4.809 -9.503 0.021 1.00 0.00 O ATOM 620 CB CYS A 42 4.965 -11.819 -2.560 1.00 0.00 C ATOM 621 SG CYS A 42 3.181 -11.627 -2.825 1.00 0.00 S ATOM 0 H CYS A 42 3.779 -11.673 0.079 1.00 0.00 H new ATOM 0 HA CYS A 42 6.486 -11.880 -1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.490 -11.172 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.242 -12.845 -2.803 1.00 0.00 H new ATOM 0 HG CYS A 42 2.889 -10.363 -2.915 1.00 0.00 H new ATOM 626 N SER A 43 6.326 -9.287 -1.621 1.00 0.00 N ATOM 627 CA SER A 43 6.523 -7.867 -1.381 1.00 0.00 C ATOM 628 C SER A 43 6.157 -7.044 -2.609 1.00 0.00 C ATOM 629 O SER A 43 6.231 -5.815 -2.588 1.00 0.00 O ATOM 630 CB SER A 43 7.976 -7.613 -0.991 1.00 0.00 C ATOM 631 OG SER A 43 8.377 -8.482 0.057 1.00 0.00 O ATOM 0 H SER A 43 6.870 -9.666 -2.396 1.00 0.00 H new ATOM 0 HA SER A 43 5.867 -7.560 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.621 -7.760 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.097 -6.577 -0.676 1.00 0.00 H new ATOM 0 HG SER A 43 9.185 -8.129 0.484 1.00 0.00 H new ATOM 637 N SER A 44 5.743 -7.724 -3.669 1.00 0.00 N ATOM 638 CA SER A 44 5.389 -7.059 -4.915 1.00 0.00 C ATOM 639 C SER A 44 4.094 -6.275 -4.756 1.00 0.00 C ATOM 640 O SER A 44 3.799 -5.359 -5.526 1.00 0.00 O ATOM 641 CB SER A 44 5.258 -8.096 -6.025 1.00 0.00 C ATOM 642 OG SER A 44 6.424 -8.899 -6.085 1.00 0.00 O ATOM 0 H SER A 44 5.644 -8.739 -3.691 1.00 0.00 H new ATOM 0 HA SER A 44 6.176 -6.353 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.385 -8.723 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.101 -7.598 -6.982 1.00 0.00 H new ATOM 0 HG SER A 44 7.164 -8.435 -5.641 1.00 0.00 H new ATOM 648 N CYS A 45 3.335 -6.642 -3.742 1.00 0.00 N ATOM 649 CA CYS A 45 2.079 -5.993 -3.443 1.00 0.00 C ATOM 650 C CYS A 45 2.230 -5.005 -2.286 1.00 0.00 C ATOM 651 O CYS A 45 1.244 -4.591 -1.673 1.00 0.00 O ATOM 652 CB CYS A 45 1.055 -7.069 -3.110 1.00 0.00 C ATOM 653 SG CYS A 45 1.795 -8.713 -2.947 1.00 0.00 S ATOM 0 H CYS A 45 3.575 -7.400 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 45 1.747 -5.419 -4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.550 -6.809 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.294 -7.094 -3.890 1.00 0.00 H new ATOM 0 HG CYS A 45 0.869 -9.579 -2.662 1.00 0.00 H new ATOM 658 N ALA A 46 3.469 -4.636 -1.971 1.00 0.00 N ATOM 659 CA ALA A 46 3.698 -3.626 -0.954 1.00 0.00 C ATOM 660 C ALA A 46 3.596 -2.235 -1.571 1.00 0.00 C ATOM 661 O ALA A 46 4.458 -1.826 -2.357 1.00 0.00 O ATOM 662 CB ALA A 46 5.052 -3.831 -0.271 1.00 0.00 C ATOM 0 H ALA A 46 4.313 -5.016 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 46 2.930 -3.722 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.198 -3.061 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.076 -4.813 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.848 -3.765 -1.013 1.00 0.00 H new ATOM 668 N GLY A 47 2.560 -1.502 -1.181 1.00 0.00 N ATOM 669 CA GLY A 47 2.311 -0.196 -1.750 1.00 0.00 C ATOM 670 C GLY A 47 3.155 0.876 -1.116 1.00 0.00 C ATOM 671 O GLY A 47 3.991 0.597 -0.267 1.00 0.00 O ATOM 0 H GLY A 47 1.884 -1.794 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.510 -0.225 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.257 0.055 -1.628 1.00 0.00 H new ATOM 675 N LYS A 48 2.985 2.104 -1.559 1.00 0.00 N ATOM 676 CA LYS A 48 3.768 3.210 -1.044 1.00 0.00 C ATOM 677 C LYS A 48 2.871 4.218 -0.362 1.00 0.00 C ATOM 678 O LYS A 48 1.884 4.666 -0.936 1.00 0.00 O ATOM 679 CB LYS A 48 4.514 3.918 -2.175 1.00 0.00 C ATOM 680 CG LYS A 48 5.702 3.187 -2.767 1.00 0.00 C ATOM 681 CD LYS A 48 5.610 1.682 -2.642 1.00 0.00 C ATOM 682 CE LYS A 48 6.594 1.154 -1.628 1.00 0.00 C ATOM 683 NZ LYS A 48 6.697 -0.329 -1.692 1.00 0.00 N ATOM 0 H LYS A 48 2.309 2.363 -2.278 1.00 0.00 H new ATOM 0 HA LYS A 48 4.484 2.803 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.804 4.120 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.858 4.883 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.792 3.451 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.612 3.529 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.598 1.401 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.802 1.222 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.574 1.596 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.285 1.456 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.780 -0.713 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.846 -0.717 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.537 -0.595 -2.245 1.00 0.00 H new ATOM 697 N VAL A 49 3.221 4.589 0.848 1.00 0.00 N ATOM 698 CA VAL A 49 2.508 5.651 1.522 1.00 0.00 C ATOM 699 C VAL A 49 2.913 6.987 0.899 1.00 0.00 C ATOM 700 O VAL A 49 4.019 7.492 1.095 1.00 0.00 O ATOM 701 CB VAL A 49 2.714 5.631 3.072 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.859 7.029 3.645 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.527 4.963 3.728 1.00 0.00 C ATOM 0 H VAL A 49 3.986 4.177 1.382 1.00 0.00 H new ATOM 0 HA VAL A 49 1.438 5.499 1.381 1.00 0.00 H new ATOM 0 HB VAL A 49 3.633 5.081 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.000 6.967 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.722 7.519 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.960 7.606 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.669 4.948 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.619 5.517 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.435 3.941 3.360 1.00 0.00 H new ATOM 713 N ALA A 50 2.027 7.504 0.072 1.00 0.00 N ATOM 714 CA ALA A 50 2.244 8.764 -0.599 1.00 0.00 C ATOM 715 C ALA A 50 1.727 9.888 0.278 1.00 0.00 C ATOM 716 O ALA A 50 2.211 11.019 0.235 1.00 0.00 O ATOM 717 CB ALA A 50 1.514 8.738 -1.926 1.00 0.00 C ATOM 0 H ALA A 50 1.136 7.060 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 50 3.306 8.926 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.669 9.684 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.899 7.922 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.448 8.590 -1.752 1.00 0.00 H new ATOM 723 N ALA A 51 0.725 9.544 1.065 1.00 0.00 N ATOM 724 CA ALA A 51 0.108 10.451 2.006 1.00 0.00 C ATOM 725 C ALA A 51 -0.483 9.654 3.149 1.00 0.00 C ATOM 726 O ALA A 51 -0.628 8.438 3.033 1.00 0.00 O ATOM 727 CB ALA A 51 -0.989 11.235 1.320 1.00 0.00 C ATOM 0 H ALA A 51 0.313 8.611 1.066 1.00 0.00 H new ATOM 0 HA ALA A 51 0.858 11.144 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.450 11.917 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.566 11.807 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.743 10.547 0.937 1.00 0.00 H new ATOM 733 N GLY A 52 -0.829 10.332 4.235 1.00 0.00 N ATOM 734 CA GLY A 52 -1.532 9.685 5.327 1.00 0.00 C ATOM 735 C GLY A 52 -0.750 8.551 5.957 1.00 0.00 C ATOM 736 O GLY A 52 0.476 8.484 5.823 1.00 0.00 O ATOM 0 H GLY A 52 -0.635 11.323 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.762 10.427 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.483 9.300 4.960 1.00 0.00 H new ATOM 740 N THR A 53 -1.455 7.664 6.656 1.00 0.00 N ATOM 741 CA THR A 53 -0.821 6.510 7.278 1.00 0.00 C ATOM 742 C THR A 53 -1.685 5.260 7.148 1.00 0.00 C ATOM 743 O THR A 53 -2.891 5.341 6.896 1.00 0.00 O ATOM 744 CB THR A 53 -0.532 6.751 8.769 1.00 0.00 C ATOM 745 OG1 THR A 53 -1.746 7.081 9.459 1.00 0.00 O ATOM 746 CG2 THR A 53 0.479 7.873 8.955 1.00 0.00 C ATOM 0 H THR A 53 -2.462 7.724 6.804 1.00 0.00 H new ATOM 0 HA THR A 53 0.120 6.360 6.749 1.00 0.00 H new ATOM 0 HB THR A 53 -0.114 5.834 9.184 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.230 6.258 9.681 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.665 8.022 10.019 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.412 7.608 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.085 8.793 8.523 1.00 0.00 H new ATOM 754 N VAL A 54 -1.056 4.110 7.344 1.00 0.00 N ATOM 755 CA VAL A 54 -1.719 2.818 7.231 1.00 0.00 C ATOM 756 C VAL A 54 -1.270 1.898 8.370 1.00 0.00 C ATOM 757 O VAL A 54 -0.293 2.192 9.058 1.00 0.00 O ATOM 758 CB VAL A 54 -1.363 2.136 5.902 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.766 2.995 4.711 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.126 1.824 5.878 1.00 0.00 C ATOM 0 H VAL A 54 -0.067 4.046 7.587 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.794 2.991 7.279 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.923 1.204 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.500 2.483 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.842 3.167 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.245 3.951 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.381 1.340 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.693 2.750 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.372 1.159 6.706 1.00 0.00 H new ATOM 770 N ASP A 55 -1.976 0.792 8.562 1.00 0.00 N ATOM 771 CA ASP A 55 -1.590 -0.206 9.552 1.00 0.00 C ATOM 772 C ASP A 55 -1.091 -1.462 8.859 1.00 0.00 C ATOM 773 O ASP A 55 -1.883 -2.312 8.454 1.00 0.00 O ATOM 774 CB ASP A 55 -2.771 -0.556 10.458 1.00 0.00 C ATOM 775 CG ASP A 55 -2.348 -1.351 11.673 1.00 0.00 C ATOM 776 OD1 ASP A 55 -2.176 -2.583 11.563 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.190 -0.740 12.752 1.00 0.00 O ATOM 0 H ASP A 55 -2.823 0.562 8.043 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.791 0.213 10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.263 0.362 10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.505 -1.128 9.890 1.00 0.00 H new ATOM 782 N GLN A 56 0.220 -1.565 8.721 1.00 0.00 N ATOM 783 CA GLN A 56 0.846 -2.700 8.058 1.00 0.00 C ATOM 784 C GLN A 56 1.672 -3.498 9.057 1.00 0.00 C ATOM 785 O GLN A 56 2.871 -3.713 8.870 1.00 0.00 O ATOM 786 CB GLN A 56 1.721 -2.226 6.893 1.00 0.00 C ATOM 787 CG GLN A 56 2.553 -1.008 7.227 1.00 0.00 C ATOM 788 CD GLN A 56 3.693 -0.804 6.269 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.183 -1.743 5.645 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.134 0.430 6.169 1.00 0.00 N ATOM 0 H GLN A 56 0.880 -0.867 9.064 1.00 0.00 H new ATOM 0 HA GLN A 56 0.065 -3.345 7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.383 -3.038 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.084 -1.999 6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.915 -0.124 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.947 -1.108 8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.693 1.175 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.918 0.643 5.552 1.00 0.00 H new ATOM 799 N SER A 57 1.019 -3.917 10.128 1.00 0.00 N ATOM 800 CA SER A 57 1.675 -4.692 11.168 1.00 0.00 C ATOM 801 C SER A 57 2.124 -6.051 10.627 1.00 0.00 C ATOM 802 O SER A 57 3.231 -6.507 10.917 1.00 0.00 O ATOM 803 CB SER A 57 0.736 -4.870 12.366 1.00 0.00 C ATOM 804 OG SER A 57 1.427 -5.388 13.492 1.00 0.00 O ATOM 0 H SER A 57 0.031 -3.732 10.300 1.00 0.00 H new ATOM 0 HA SER A 57 2.561 -4.150 11.498 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.286 -3.911 12.623 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.078 -5.542 12.096 1.00 0.00 H new ATOM 0 HG SER A 57 0.803 -5.489 14.241 1.00 0.00 H new ATOM 810 N ASP A 58 1.279 -6.688 9.816 1.00 0.00 N ATOM 811 CA ASP A 58 1.606 -8.000 9.257 1.00 0.00 C ATOM 812 C ASP A 58 2.325 -7.851 7.914 1.00 0.00 C ATOM 813 O ASP A 58 1.956 -8.460 6.908 1.00 0.00 O ATOM 814 CB ASP A 58 0.348 -8.863 9.103 1.00 0.00 C ATOM 815 CG ASP A 58 0.670 -10.322 8.818 1.00 0.00 C ATOM 816 OD1 ASP A 58 1.820 -10.746 9.072 1.00 0.00 O ATOM 817 OD2 ASP A 58 -0.228 -11.059 8.353 1.00 0.00 O ATOM 0 H ASP A 58 0.370 -6.321 9.533 1.00 0.00 H new ATOM 0 HA ASP A 58 2.277 -8.504 9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.247 -8.797 10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.264 -8.465 8.294 1.00 0.00 H new ATOM 822 N GLN A 59 3.346 -7.012 7.914 1.00 0.00 N ATOM 823 CA GLN A 59 4.211 -6.830 6.760 1.00 0.00 C ATOM 824 C GLN A 59 5.532 -7.559 7.008 1.00 0.00 C ATOM 825 O GLN A 59 6.324 -7.160 7.862 1.00 0.00 O ATOM 826 CB GLN A 59 4.412 -5.324 6.507 1.00 0.00 C ATOM 827 CG GLN A 59 5.696 -4.956 5.782 1.00 0.00 C ATOM 828 CD GLN A 59 5.690 -5.216 4.283 1.00 0.00 C ATOM 829 OE1 GLN A 59 5.956 -6.329 3.829 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.437 -4.174 3.496 1.00 0.00 N ATOM 0 H GLN A 59 3.600 -6.436 8.716 1.00 0.00 H new ATOM 0 HA GLN A 59 3.759 -7.255 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.567 -4.953 5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.393 -4.805 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.899 -3.898 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.519 -5.514 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.220 -3.266 3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.460 -4.283 2.482 1.00 0.00 H new ATOM 839 N SER A 60 5.741 -8.650 6.280 1.00 0.00 N ATOM 840 CA SER A 60 6.887 -9.525 6.505 1.00 0.00 C ATOM 841 C SER A 60 8.189 -8.889 6.019 1.00 0.00 C ATOM 842 O SER A 60 9.267 -9.174 6.538 1.00 0.00 O ATOM 843 CB SER A 60 6.649 -10.860 5.803 1.00 0.00 C ATOM 844 OG SER A 60 5.361 -11.370 6.116 1.00 0.00 O ATOM 0 H SER A 60 5.127 -8.952 5.523 1.00 0.00 H new ATOM 0 HA SER A 60 6.990 -9.688 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.742 -10.731 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.413 -11.577 6.105 1.00 0.00 H new ATOM 0 HG SER A 60 4.910 -11.647 5.291 1.00 0.00 H new ATOM 850 N PHE A 61 8.083 -8.030 5.022 1.00 0.00 N ATOM 851 CA PHE A 61 9.237 -7.312 4.505 1.00 0.00 C ATOM 852 C PHE A 61 9.136 -5.858 4.967 1.00 0.00 C ATOM 853 O PHE A 61 8.487 -5.595 5.975 1.00 0.00 O ATOM 854 CB PHE A 61 9.268 -7.433 2.975 1.00 0.00 C ATOM 855 CG PHE A 61 10.587 -7.083 2.334 1.00 0.00 C ATOM 856 CD1 PHE A 61 11.789 -7.447 2.921 1.00 0.00 C ATOM 857 CD2 PHE A 61 10.616 -6.386 1.140 1.00 0.00 C ATOM 858 CE1 PHE A 61 12.992 -7.120 2.324 1.00 0.00 C ATOM 859 CE2 PHE A 61 11.814 -6.056 0.536 1.00 0.00 C ATOM 860 CZ PHE A 61 13.004 -6.423 1.129 1.00 0.00 C ATOM 0 H PHE A 61 7.205 -7.811 4.551 1.00 0.00 H new ATOM 0 HA PHE A 61 10.170 -7.732 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.008 -8.456 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.496 -6.786 2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.785 -7.991 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.687 -6.095 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.922 -7.409 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.819 -5.513 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.943 -6.167 0.661 1.00 0.00 H new ATOM 870 N LEU A 62 9.775 -4.931 4.253 1.00 0.00 N ATOM 871 CA LEU A 62 9.694 -3.498 4.566 1.00 0.00 C ATOM 872 C LEU A 62 10.115 -3.208 6.021 1.00 0.00 C ATOM 873 O LEU A 62 10.519 -4.111 6.754 1.00 0.00 O ATOM 874 CB LEU A 62 8.264 -3.030 4.274 1.00 0.00 C ATOM 875 CG LEU A 62 8.035 -1.530 4.186 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.386 -1.192 2.858 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.165 -1.054 5.337 1.00 0.00 C ATOM 0 H LEU A 62 10.360 -5.147 3.446 1.00 0.00 H new ATOM 0 HA LEU A 62 10.393 -2.941 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.947 -3.477 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.612 -3.428 5.052 1.00 0.00 H new ATOM 0 HG LEU A 62 8.996 -1.020 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.222 -0.116 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.038 -1.507 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.430 -1.710 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.012 0.022 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.201 -1.561 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.657 -1.281 6.283 1.00 0.00 H new ATOM 889 N ASP A 63 10.055 -1.946 6.426 1.00 0.00 N ATOM 890 CA ASP A 63 10.452 -1.551 7.774 1.00 0.00 C ATOM 891 C ASP A 63 9.674 -0.331 8.235 1.00 0.00 C ATOM 892 O ASP A 63 9.007 0.323 7.434 1.00 0.00 O ATOM 893 CB ASP A 63 11.947 -1.240 7.848 1.00 0.00 C ATOM 894 CG ASP A 63 12.821 -2.475 7.805 1.00 0.00 C ATOM 895 OD1 ASP A 63 12.879 -3.201 8.818 1.00 0.00 O ATOM 896 OD2 ASP A 63 13.459 -2.722 6.757 1.00 0.00 O ATOM 0 H ASP A 63 9.735 -1.175 5.840 1.00 0.00 H new ATOM 0 HA ASP A 63 10.230 -2.394 8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.216 -0.585 7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.151 -0.691 8.767 1.00 0.00 H new ATOM 901 N ASP A 64 9.771 -0.011 9.512 1.00 0.00 N ATOM 902 CA ASP A 64 9.159 1.182 10.048 1.00 0.00 C ATOM 903 C ASP A 64 9.787 2.418 9.414 1.00 0.00 C ATOM 904 O ASP A 64 9.104 3.405 9.124 1.00 0.00 O ATOM 905 CB ASP A 64 9.337 1.200 11.560 1.00 0.00 C ATOM 906 CG ASP A 64 8.538 0.113 12.255 1.00 0.00 C ATOM 907 OD1 ASP A 64 9.036 -1.028 12.360 1.00 0.00 O ATOM 908 OD2 ASP A 64 7.402 0.392 12.694 1.00 0.00 O ATOM 0 H ASP A 64 10.274 -0.570 10.201 1.00 0.00 H new ATOM 0 HA ASP A 64 8.094 1.186 9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.393 1.078 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.033 2.173 11.946 1.00 0.00 H new ATOM 913 N ALA A 65 11.091 2.338 9.174 1.00 0.00 N ATOM 914 CA ALA A 65 11.824 3.398 8.493 1.00 0.00 C ATOM 915 C ALA A 65 11.281 3.600 7.086 1.00 0.00 C ATOM 916 O ALA A 65 11.202 4.724 6.593 1.00 0.00 O ATOM 917 CB ALA A 65 13.306 3.064 8.445 1.00 0.00 C ATOM 0 H ALA A 65 11.667 1.541 9.444 1.00 0.00 H new ATOM 0 HA ALA A 65 11.693 4.326 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.843 3.863 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.689 2.961 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.451 2.128 7.906 1.00 0.00 H new ATOM 923 N GLN A 66 10.899 2.497 6.450 1.00 0.00 N ATOM 924 CA GLN A 66 10.284 2.536 5.136 1.00 0.00 C ATOM 925 C GLN A 66 9.022 3.399 5.152 1.00 0.00 C ATOM 926 O GLN A 66 8.778 4.148 4.220 1.00 0.00 O ATOM 927 CB GLN A 66 9.937 1.121 4.695 1.00 0.00 C ATOM 928 CG GLN A 66 11.130 0.249 4.370 1.00 0.00 C ATOM 929 CD GLN A 66 11.611 0.445 2.965 1.00 0.00 C ATOM 930 OE1 GLN A 66 10.860 0.873 2.101 1.00 0.00 O ATOM 931 NE2 GLN A 66 12.830 0.050 2.705 1.00 0.00 N ATOM 0 H GLN A 66 11.008 1.558 6.832 1.00 0.00 H new ATOM 0 HA GLN A 66 10.991 2.976 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.358 0.641 5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.295 1.176 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.940 0.473 5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.863 -0.798 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.424 -0.301 3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.187 0.093 1.751 1.00 0.00 H new ATOM 940 N MET A 67 8.223 3.293 6.212 1.00 0.00 N ATOM 941 CA MET A 67 7.024 4.115 6.343 1.00 0.00 C ATOM 942 C MET A 67 7.351 5.593 6.425 1.00 0.00 C ATOM 943 O MET A 67 6.644 6.417 5.848 1.00 0.00 O ATOM 944 CB MET A 67 6.213 3.709 7.558 1.00 0.00 C ATOM 945 CG MET A 67 4.903 3.080 7.169 1.00 0.00 C ATOM 946 SD MET A 67 3.922 2.534 8.581 1.00 0.00 S ATOM 947 CE MET A 67 5.027 1.328 9.319 1.00 0.00 C ATOM 0 H MET A 67 8.383 2.650 6.987 1.00 0.00 H new ATOM 0 HA MET A 67 6.433 3.946 5.443 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.789 3.007 8.161 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.026 4.585 8.179 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.323 3.797 6.588 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.097 2.227 6.519 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.457 0.659 9.964 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.511 0.749 8.533 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.785 1.843 9.910 1.00 0.00 H new ATOM 957 N GLY A 68 8.409 5.929 7.146 1.00 0.00 N ATOM 958 CA GLY A 68 8.855 7.309 7.183 1.00 0.00 C ATOM 959 C GLY A 68 9.287 7.774 5.808 1.00 0.00 C ATOM 960 O GLY A 68 9.204 8.956 5.474 1.00 0.00 O ATOM 0 H GLY A 68 8.964 5.279 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.050 7.946 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.685 7.409 7.882 1.00 0.00 H new ATOM 964 N ASN A 69 9.739 6.818 5.013 1.00 0.00 N ATOM 965 CA ASN A 69 10.122 7.058 3.631 1.00 0.00 C ATOM 966 C ASN A 69 8.902 7.050 2.709 1.00 0.00 C ATOM 967 O ASN A 69 8.973 7.493 1.564 1.00 0.00 O ATOM 968 CB ASN A 69 11.115 5.984 3.185 1.00 0.00 C ATOM 969 CG ASN A 69 12.560 6.390 3.391 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.905 7.570 3.318 1.00 0.00 O ATOM 971 ND2 ASN A 69 13.418 5.414 3.647 1.00 0.00 N ATOM 0 H ASN A 69 9.851 5.849 5.310 1.00 0.00 H new ATOM 0 HA ASN A 69 10.586 8.042 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.920 5.065 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.953 5.763 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.405 5.627 3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.092 4.449 3.699 1.00 0.00 H new ATOM 978 N GLY A 70 7.786 6.541 3.218 1.00 0.00 N ATOM 979 CA GLY A 70 6.562 6.485 2.439 1.00 0.00 C ATOM 980 C GLY A 70 6.377 5.151 1.747 1.00 0.00 C ATOM 981 O GLY A 70 5.847 5.084 0.643 1.00 0.00 O ATOM 0 H GLY A 70 7.707 6.164 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.710 6.673 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.573 7.280 1.693 1.00 0.00 H new ATOM 985 N PHE A 71 6.839 4.087 2.378 1.00 0.00 N ATOM 986 CA PHE A 71 6.721 2.751 1.812 1.00 0.00 C ATOM 987 C PHE A 71 5.972 1.833 2.770 1.00 0.00 C ATOM 988 O PHE A 71 6.230 1.836 3.974 1.00 0.00 O ATOM 989 CB PHE A 71 8.110 2.201 1.496 1.00 0.00 C ATOM 990 CG PHE A 71 8.924 3.123 0.629 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.384 3.641 -0.524 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.221 3.466 0.967 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.107 4.490 -1.335 1.00 0.00 C ATOM 994 CE2 PHE A 71 10.957 4.314 0.164 1.00 0.00 C ATOM 995 CZ PHE A 71 10.400 4.828 -0.989 1.00 0.00 C ATOM 0 H PHE A 71 7.302 4.120 3.286 1.00 0.00 H new ATOM 0 HA PHE A 71 6.150 2.802 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.645 2.022 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.008 1.237 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.374 3.378 -0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.662 3.066 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.664 4.888 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.968 4.575 0.438 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.973 5.492 -1.618 1.00 0.00 H new ATOM 1005 N VAL A 72 5.041 1.047 2.228 1.00 0.00 N ATOM 1006 CA VAL A 72 4.091 0.294 3.042 1.00 0.00 C ATOM 1007 C VAL A 72 3.697 -1.031 2.389 1.00 0.00 C ATOM 1008 O VAL A 72 4.226 -1.405 1.348 1.00 0.00 O ATOM 1009 CB VAL A 72 2.821 1.133 3.294 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.164 2.374 4.086 1.00 0.00 C ATOM 1011 CG2 VAL A 72 2.156 1.498 1.969 1.00 0.00 C ATOM 0 H VAL A 72 4.926 0.916 1.223 1.00 0.00 H new ATOM 0 HA VAL A 72 4.586 0.072 3.987 1.00 0.00 H new ATOM 0 HB VAL A 72 2.115 0.540 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.260 2.958 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.597 2.086 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.883 2.974 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.261 2.090 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.850 2.078 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.881 0.587 1.437 1.00 0.00 H new ATOM 1021 N LEU A 73 2.821 -1.770 3.055 1.00 0.00 N ATOM 1022 CA LEU A 73 2.231 -2.974 2.487 1.00 0.00 C ATOM 1023 C LEU A 73 0.768 -2.718 2.166 1.00 0.00 C ATOM 1024 O LEU A 73 0.062 -2.114 2.960 1.00 0.00 O ATOM 1025 CB LEU A 73 2.336 -4.146 3.466 1.00 0.00 C ATOM 1026 CG LEU A 73 1.785 -5.479 2.948 1.00 0.00 C ATOM 1027 CD1 LEU A 73 2.622 -5.997 1.787 1.00 0.00 C ATOM 1028 CD2 LEU A 73 1.735 -6.507 4.065 1.00 0.00 C ATOM 0 H LEU A 73 2.501 -1.554 3.999 1.00 0.00 H new ATOM 0 HA LEU A 73 2.775 -3.229 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.384 -4.283 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.806 -3.883 4.381 1.00 0.00 H new ATOM 0 HG LEU A 73 0.770 -5.308 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.211 -6.944 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.605 -5.271 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.650 -6.147 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.341 -7.447 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.740 -6.669 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.088 -6.145 4.864 1.00 0.00 H new ATOM 1040 N THR A 74 0.323 -3.126 0.992 1.00 0.00 N ATOM 1041 CA THR A 74 -1.082 -2.999 0.645 1.00 0.00 C ATOM 1042 C THR A 74 -1.831 -4.305 0.930 1.00 0.00 C ATOM 1043 O THR A 74 -3.045 -4.310 1.128 1.00 0.00 O ATOM 1044 CB THR A 74 -1.243 -2.610 -0.838 1.00 0.00 C ATOM 1045 OG1 THR A 74 -0.310 -1.576 -1.161 1.00 0.00 O ATOM 1046 CG2 THR A 74 -2.647 -2.111 -1.126 1.00 0.00 C ATOM 0 H THR A 74 0.907 -3.545 0.268 1.00 0.00 H new ATOM 0 HA THR A 74 -1.511 -2.210 1.262 1.00 0.00 H new ATOM 0 HB THR A 74 -1.057 -3.497 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.410 -1.328 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.729 -1.844 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.367 -2.895 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.854 -1.234 -0.513 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.078 -5.402 0.977 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.647 -6.747 1.053 1.00 0.00 C ATOM 1056 C CYS A 75 -2.383 -6.993 2.368 1.00 0.00 C ATOM 1057 O CYS A 75 -3.546 -7.391 2.375 1.00 0.00 O ATOM 1058 CB CYS A 75 -0.516 -7.761 0.912 1.00 0.00 C ATOM 1059 SG CYS A 75 -0.979 -9.335 0.161 1.00 0.00 S ATOM 0 H CYS A 75 -0.058 -5.384 0.964 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.375 -6.852 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.279 -7.313 0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.101 -7.957 1.901 1.00 0.00 H new ATOM 0 HG CYS A 75 0.064 -10.108 0.095 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.710 -6.734 3.476 1.00 0.00 N ATOM 1065 CA VAL A 76 -2.291 -6.959 4.790 1.00 0.00 C ATOM 1066 C VAL A 76 -2.154 -5.695 5.616 1.00 0.00 C ATOM 1067 O VAL A 76 -1.549 -5.681 6.687 1.00 0.00 O ATOM 1068 CB VAL A 76 -1.620 -8.138 5.534 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -2.431 -8.534 6.760 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -1.439 -9.331 4.609 1.00 0.00 C ATOM 0 H VAL A 76 -0.759 -6.367 3.492 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.341 -7.216 4.651 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.635 -7.809 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.941 -9.365 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.502 -7.684 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.432 -8.837 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.965 -10.147 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.412 -9.657 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.810 -9.046 3.766 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.689 -4.618 5.081 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.613 -3.333 5.733 1.00 0.00 C ATOM 1082 C ALA A 77 -3.733 -2.442 5.265 1.00 0.00 C ATOM 1083 O ALA A 77 -4.206 -2.574 4.138 1.00 0.00 O ATOM 1084 CB ALA A 77 -1.280 -2.679 5.446 1.00 0.00 C ATOM 0 H ALA A 77 -3.184 -4.610 4.189 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.709 -3.484 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.235 -1.710 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.476 -3.315 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.167 -2.540 4.371 1.00 0.00 H new ATOM 1090 N TYR A 78 -4.160 -1.551 6.132 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.201 -0.609 5.797 1.00 0.00 C ATOM 1092 C TYR A 78 -4.923 0.752 6.391 1.00 0.00 C ATOM 1093 O TYR A 78 -4.174 0.867 7.344 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.546 -1.108 6.280 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.520 -1.745 7.649 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.472 -0.973 8.794 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.536 -3.126 7.788 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.438 -1.557 10.045 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.512 -3.718 9.029 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.463 -2.930 10.156 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.424 -3.520 11.399 1.00 0.00 O ATOM 0 H TYR A 78 -3.798 -1.460 7.081 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.220 -0.515 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.246 -0.273 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.930 -1.833 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.461 0.104 8.709 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.568 -3.747 6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.392 -0.941 10.931 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.531 -4.794 9.118 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.450 -4.495 11.299 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.541 1.797 5.843 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.338 3.165 6.299 1.00 0.00 C ATOM 1113 C PRO A 79 -5.737 3.345 7.753 1.00 0.00 C ATOM 1114 O PRO A 79 -6.827 2.956 8.159 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.261 3.988 5.397 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.261 3.013 4.892 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.513 1.730 4.746 1.00 0.00 C ATOM 0 HA PRO A 79 -4.290 3.460 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.740 4.795 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.708 4.448 4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.094 2.907 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.680 3.336 3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.170 0.865 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.023 1.655 3.775 1.00 0.00 H new ATOM 1125 N THR A 80 -4.837 3.898 8.538 1.00 0.00 N ATOM 1126 CA THR A 80 -5.183 4.310 9.889 1.00 0.00 C ATOM 1127 C THR A 80 -5.642 5.757 9.876 1.00 0.00 C ATOM 1128 O THR A 80 -6.071 6.304 10.894 1.00 0.00 O ATOM 1129 CB THR A 80 -3.998 4.147 10.857 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.807 4.708 10.285 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.765 2.683 11.177 1.00 0.00 C ATOM 0 H THR A 80 -3.868 4.073 8.271 1.00 0.00 H new ATOM 0 HA THR A 80 -5.989 3.666 10.241 1.00 0.00 H new ATOM 0 HB THR A 80 -4.239 4.676 11.779 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.061 4.600 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.923 2.590 11.863 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.659 2.265 11.641 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.546 2.140 10.258 1.00 0.00 H new ATOM 1139 N SER A 81 -5.530 6.371 8.709 1.00 0.00 N ATOM 1140 CA SER A 81 -6.040 7.713 8.479 1.00 0.00 C ATOM 1141 C SER A 81 -6.336 7.883 6.999 1.00 0.00 C ATOM 1142 O SER A 81 -6.058 6.984 6.202 1.00 0.00 O ATOM 1143 CB SER A 81 -5.022 8.762 8.900 1.00 0.00 C ATOM 1144 OG SER A 81 -4.479 8.479 10.181 1.00 0.00 O ATOM 0 H SER A 81 -5.082 5.952 7.894 1.00 0.00 H new ATOM 0 HA SER A 81 -6.945 7.846 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.218 8.805 8.165 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.495 9.744 8.914 1.00 0.00 H new ATOM 0 HG SER A 81 -3.612 8.033 10.078 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.883 9.027 6.630 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.121 9.329 5.237 1.00 0.00 C ATOM 1152 C ASP A 82 -5.775 9.536 4.559 1.00 0.00 C ATOM 1153 O ASP A 82 -4.901 10.222 5.097 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.008 10.572 5.097 1.00 0.00 C ATOM 1155 CG ASP A 82 -7.308 11.865 5.476 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -7.330 12.235 6.670 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -6.747 12.528 4.576 1.00 0.00 O ATOM 0 H ASP A 82 -7.170 9.760 7.279 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.648 8.503 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.356 10.646 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.891 10.450 5.724 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.578 8.922 3.411 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.256 8.901 2.820 1.00 0.00 C ATOM 1164 C CYS A 83 -4.294 8.768 1.307 1.00 0.00 C ATOM 1165 O CYS A 83 -5.347 8.770 0.678 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.476 7.738 3.431 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.241 6.122 3.190 1.00 0.00 S ATOM 0 H CYS A 83 -6.301 8.439 2.877 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.769 9.852 3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.475 7.721 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.360 7.916 4.500 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.502 5.206 3.742 1.00 0.00 H new ATOM 1173 N THR A 84 -3.111 8.687 0.746 1.00 0.00 N ATOM 1174 CA THR A 84 -2.914 8.423 -0.657 1.00 0.00 C ATOM 1175 C THR A 84 -1.824 7.389 -0.777 1.00 0.00 C ATOM 1176 O THR A 84 -0.706 7.623 -0.336 1.00 0.00 O ATOM 1177 CB THR A 84 -2.480 9.677 -1.423 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.564 10.611 -1.525 1.00 0.00 O ATOM 1179 CG2 THR A 84 -1.964 9.301 -2.806 1.00 0.00 C ATOM 0 H THR A 84 -2.241 8.806 1.265 1.00 0.00 H new ATOM 0 HA THR A 84 -3.857 8.081 -1.084 1.00 0.00 H new ATOM 0 HB THR A 84 -1.672 10.155 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.662 10.897 -2.457 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.659 10.202 -3.338 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.109 8.632 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.754 8.799 -3.365 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.134 6.249 -1.346 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.207 5.150 -1.324 1.00 0.00 C ATOM 1189 C ILE A 85 -0.899 4.664 -2.725 1.00 0.00 C ATOM 1190 O ILE A 85 -1.758 4.160 -3.431 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.724 3.977 -0.470 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.003 4.422 0.981 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.713 2.844 -0.497 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.019 5.421 1.543 1.00 0.00 C ATOM 0 H ILE A 85 -3.014 6.061 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.290 5.525 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.666 3.628 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.003 4.854 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.008 3.540 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.080 2.015 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.570 2.509 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.237 3.194 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.299 5.672 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.018 4.989 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.029 6.324 0.933 1.00 0.00 H new ATOM 1206 N GLN A 86 0.344 4.824 -3.108 1.00 0.00 N ATOM 1207 CA GLN A 86 0.833 4.357 -4.385 1.00 0.00 C ATOM 1208 C GLN A 86 0.849 2.828 -4.357 1.00 0.00 C ATOM 1209 O GLN A 86 1.072 2.238 -3.310 1.00 0.00 O ATOM 1210 CB GLN A 86 2.239 4.897 -4.552 1.00 0.00 C ATOM 1211 CG GLN A 86 2.449 5.789 -5.755 1.00 0.00 C ATOM 1212 CD GLN A 86 3.754 6.557 -5.662 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.703 6.016 -4.911 1.00 0.00 O flip ATOM 1214 NE2 GLN A 86 3.896 7.636 -6.227 1.00 0.00 N flip ATOM 0 H GLN A 86 1.052 5.286 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 86 0.207 4.691 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.505 5.456 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.928 4.055 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.446 5.184 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.619 6.490 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.140 8.017 -6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.770 8.152 -6.128 1.00 0.00 H new ATOM 1223 N THR A 87 0.607 2.185 -5.482 1.00 0.00 N ATOM 1224 CA THR A 87 0.438 0.735 -5.478 1.00 0.00 C ATOM 1225 C THR A 87 1.706 -0.051 -5.837 1.00 0.00 C ATOM 1226 O THR A 87 2.474 -0.451 -4.969 1.00 0.00 O ATOM 1227 CB THR A 87 -0.690 0.334 -6.438 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.459 0.927 -7.723 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.030 0.793 -5.910 1.00 0.00 C ATOM 0 H THR A 87 0.523 2.628 -6.397 1.00 0.00 H new ATOM 0 HA THR A 87 0.191 0.473 -4.449 1.00 0.00 H new ATOM 0 HB THR A 87 -0.701 -0.752 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.334 0.221 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.816 0.498 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.215 0.334 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.027 1.878 -5.804 1.00 0.00 H new ATOM 1237 N HIS A 88 1.920 -0.225 -7.132 1.00 0.00 N ATOM 1238 CA HIS A 88 2.847 -1.234 -7.675 1.00 0.00 C ATOM 1239 C HIS A 88 4.330 -0.878 -7.530 1.00 0.00 C ATOM 1240 O HIS A 88 5.178 -1.483 -8.184 1.00 0.00 O ATOM 1241 CB HIS A 88 2.522 -1.467 -9.148 1.00 0.00 C ATOM 1242 CG HIS A 88 1.242 -2.220 -9.375 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.059 -1.908 -8.738 1.00 0.00 N ATOM 1244 CD2 HIS A 88 0.972 -3.295 -10.151 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.878 -2.759 -9.107 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.353 -3.609 -9.966 1.00 0.00 N ATOM 0 H HIS A 88 1.456 0.330 -7.851 1.00 0.00 H new ATOM 0 HA HIS A 88 2.698 -2.137 -7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.460 -0.503 -9.654 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.343 -2.017 -9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.668 -3.810 -10.796 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.902 -2.759 -8.764 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.849 -4.376 -10.420 1.00 0.00 H new ATOM 1255 N GLN A 89 4.645 0.068 -6.664 1.00 0.00 N ATOM 1256 CA GLN A 89 6.015 0.568 -6.527 1.00 0.00 C ATOM 1257 C GLN A 89 6.854 -0.295 -5.570 1.00 0.00 C ATOM 1258 O GLN A 89 7.576 0.237 -4.729 1.00 0.00 O ATOM 1259 CB GLN A 89 6.043 2.040 -6.092 1.00 0.00 C ATOM 1260 CG GLN A 89 4.684 2.702 -6.103 1.00 0.00 C ATOM 1261 CD GLN A 89 4.209 3.024 -7.503 1.00 0.00 C ATOM 1262 OE1 GLN A 89 5.005 3.341 -8.384 1.00 0.00 O ATOM 1263 NE2 GLN A 89 2.914 2.911 -7.724 1.00 0.00 N ATOM 0 H GLN A 89 3.972 0.512 -6.039 1.00 0.00 H new ATOM 0 HA GLN A 89 6.467 0.499 -7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.461 2.105 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.712 2.592 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.960 2.047 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.726 3.620 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.288 2.645 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.538 3.089 -8.655 1.00 0.00 H new ATOM 1272 N GLU A 90 6.695 -1.617 -5.655 1.00 0.00 N ATOM 1273 CA GLU A 90 7.453 -2.574 -4.830 1.00 0.00 C ATOM 1274 C GLU A 90 8.927 -2.175 -4.679 1.00 0.00 C ATOM 1275 O GLU A 90 9.440 -2.083 -3.559 1.00 0.00 O ATOM 1276 CB GLU A 90 7.382 -3.961 -5.473 1.00 0.00 C ATOM 1277 CG GLU A 90 8.396 -4.952 -4.917 1.00 0.00 C ATOM 1278 CD GLU A 90 8.552 -6.176 -5.793 1.00 0.00 C ATOM 1279 OE1 GLU A 90 8.830 -6.015 -6.999 1.00 0.00 O ATOM 1280 OE2 GLU A 90 8.385 -7.303 -5.288 1.00 0.00 O ATOM 0 H GLU A 90 6.038 -2.060 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 90 7.003 -2.578 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.379 -4.365 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.538 -3.861 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.362 -4.458 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.087 -5.261 -3.918 1.00 0.00 H new ATOM 1287 N GLU A 91 9.576 -1.910 -5.812 1.00 0.00 N ATOM 1288 CA GLU A 91 10.999 -1.558 -5.874 1.00 0.00 C ATOM 1289 C GLU A 91 11.340 -0.422 -4.907 1.00 0.00 C ATOM 1290 O GLU A 91 12.454 -0.349 -4.387 1.00 0.00 O ATOM 1291 CB GLU A 91 11.358 -1.165 -7.312 1.00 0.00 C ATOM 1292 CG GLU A 91 12.791 -0.686 -7.506 1.00 0.00 C ATOM 1293 CD GLU A 91 13.819 -1.773 -7.280 1.00 0.00 C ATOM 1294 OE1 GLU A 91 13.859 -2.736 -8.076 1.00 0.00 O ATOM 1295 OE2 GLU A 91 14.604 -1.661 -6.320 1.00 0.00 O ATOM 0 H GLU A 91 9.125 -1.933 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 91 11.586 -2.426 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.186 -2.023 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.679 -0.377 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.902 -0.294 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.987 0.139 -6.821 1.00 0.00 H new ATOM 1302 N ALA A 92 10.369 0.452 -4.665 1.00 0.00 N ATOM 1303 CA ALA A 92 10.582 1.637 -3.857 1.00 0.00 C ATOM 1304 C ALA A 92 11.027 1.264 -2.447 1.00 0.00 C ATOM 1305 O ALA A 92 11.864 1.935 -1.853 1.00 0.00 O ATOM 1306 CB ALA A 92 9.317 2.466 -3.812 1.00 0.00 C ATOM 0 H ALA A 92 9.419 0.356 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 92 11.376 2.228 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.486 3.354 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.042 2.766 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.510 1.876 -3.377 1.00 0.00 H new ATOM 1312 N LEU A 93 10.455 0.186 -1.922 1.00 0.00 N ATOM 1313 CA LEU A 93 10.825 -0.317 -0.610 1.00 0.00 C ATOM 1314 C LEU A 93 12.142 -1.077 -0.697 1.00 0.00 C ATOM 1315 O LEU A 93 12.993 -0.975 0.184 1.00 0.00 O ATOM 1316 CB LEU A 93 9.724 -1.244 -0.078 1.00 0.00 C ATOM 1317 CG LEU A 93 10.128 -2.702 0.071 1.00 0.00 C ATOM 1318 CD1 LEU A 93 10.502 -2.990 1.505 1.00 0.00 C ATOM 1319 CD2 LEU A 93 9.012 -3.614 -0.412 1.00 0.00 C ATOM 0 H LEU A 93 9.730 -0.357 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 93 10.944 0.525 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.395 -0.873 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.866 -1.187 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 93 11.002 -2.898 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.790 -4.037 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.338 -2.355 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.648 -2.787 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.317 -4.654 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.113 -3.433 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.804 -3.410 -1.462 1.00 0.00 H new ATOM 1331 N TYR A 94 12.289 -1.845 -1.771 1.00 0.00 N ATOM 1332 CA TYR A 94 13.428 -2.740 -1.927 1.00 0.00 C ATOM 1333 C TYR A 94 14.736 -1.963 -1.887 1.00 0.00 C ATOM 1334 O TYR A 94 15.607 -2.231 -1.056 1.00 0.00 O ATOM 1335 CB TYR A 94 13.287 -3.537 -3.224 1.00 0.00 C ATOM 1336 CG TYR A 94 14.351 -4.591 -3.425 1.00 0.00 C ATOM 1337 CD1 TYR A 94 14.478 -5.652 -2.538 1.00 0.00 C ATOM 1338 CD2 TYR A 94 15.222 -4.529 -4.504 1.00 0.00 C ATOM 1339 CE1 TYR A 94 15.446 -6.622 -2.718 1.00 0.00 C ATOM 1340 CE2 TYR A 94 16.192 -5.497 -4.694 1.00 0.00 C ATOM 1341 CZ TYR A 94 16.299 -6.539 -3.797 1.00 0.00 C ATOM 1342 OH TYR A 94 17.259 -7.510 -3.985 1.00 0.00 O ATOM 0 H TYR A 94 11.630 -1.865 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 94 13.445 -3.443 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.309 -4.018 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.313 -2.846 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.809 -5.720 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.141 -3.712 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.533 -7.440 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.861 -5.437 -5.540 1.00 0.00 H new ATOM 0 HH TYR A 94 17.777 -7.306 -4.791 1.00 0.00 H new