USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 Single : A 1 GLY N :NH3+ -109:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 161:sc= -0.963 (180deg=-2.16!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.1!) USER MOD Single : A 29 THR OG1 : rot -66:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= -0.121 (180deg=-0.727) USER MOD Single : A 38 GLN : amide:sc= -2.1 K(o=-2.1,f=-5.5!) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 42 GLN : amide:sc= 0.128 K(o=0.13,f=-0.95) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 52 GLN : amide:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.32) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -2:sc= 0.652 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -0.62 K(o=-0.62,f=-2.4!) USER MOD Single : A 66 THR OG1 : rot 70:sc= -0.069 USER MOD Single : A 67 SER OG : rot 59:sc= -11.7! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0817 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.56 K(o=-1.6,f=-12!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.010 -19.690 -0.416 1.00 0.00 N ATOM 2 CA GLY A 1 7.860 -20.632 -1.512 1.00 0.00 C ATOM 3 C GLY A 1 7.060 -20.015 -2.660 1.00 0.00 C ATOM 4 O GLY A 1 6.659 -18.855 -2.589 1.00 0.00 O ATOM 0 H1 GLY A 1 8.998 -19.367 -0.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.386 -18.873 -0.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.754 -20.155 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.843 -20.936 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.358 -21.532 -1.157 1.00 0.00 H new ATOM 8 N SER A 2 6.850 -20.820 -3.693 1.00 0.00 N ATOM 9 CA SER A 2 6.105 -20.367 -4.855 1.00 0.00 C ATOM 10 C SER A 2 4.671 -20.017 -4.452 1.00 0.00 C ATOM 11 O SER A 2 3.907 -20.889 -4.042 1.00 0.00 O ATOM 12 CB SER A 2 6.103 -21.430 -5.955 1.00 0.00 C ATOM 13 OG SER A 2 7.419 -21.874 -6.272 1.00 0.00 O ATOM 0 H SER A 2 7.183 -21.783 -3.748 1.00 0.00 H new ATOM 0 HA SER A 2 6.593 -19.476 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.501 -22.281 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.632 -21.024 -6.850 1.00 0.00 H new ATOM 0 HG SER A 2 7.374 -22.553 -6.977 1.00 0.00 H new ATOM 19 N SER A 3 4.348 -18.739 -4.584 1.00 0.00 N ATOM 20 CA SER A 3 3.020 -18.263 -4.240 1.00 0.00 C ATOM 21 C SER A 3 2.744 -18.508 -2.755 1.00 0.00 C ATOM 22 O SER A 3 3.389 -19.350 -2.131 1.00 0.00 O ATOM 23 CB SER A 3 1.951 -18.943 -5.097 1.00 0.00 C ATOM 24 OG SER A 3 2.131 -18.677 -6.486 1.00 0.00 O ATOM 0 H SER A 3 4.984 -18.018 -4.925 1.00 0.00 H new ATOM 0 HA SER A 3 2.979 -17.192 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.981 -20.019 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.964 -18.599 -4.787 1.00 0.00 H new ATOM 0 HG SER A 3 1.430 -19.130 -6.999 1.00 0.00 H new ATOM 30 N GLY A 4 1.786 -17.758 -2.231 1.00 0.00 N ATOM 31 CA GLY A 4 1.417 -17.884 -0.832 1.00 0.00 C ATOM 32 C GLY A 4 -0.100 -17.792 -0.653 1.00 0.00 C ATOM 33 O GLY A 4 -0.644 -16.702 -0.487 1.00 0.00 O ATOM 0 H GLY A 4 1.254 -17.060 -2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.775 -18.837 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.903 -17.099 -0.252 1.00 0.00 H new ATOM 37 N SER A 5 -0.739 -18.952 -0.694 1.00 0.00 N ATOM 38 CA SER A 5 -2.183 -19.016 -0.539 1.00 0.00 C ATOM 39 C SER A 5 -2.860 -18.109 -1.569 1.00 0.00 C ATOM 40 O SER A 5 -2.189 -17.373 -2.289 1.00 0.00 O ATOM 41 CB SER A 5 -2.603 -18.617 0.877 1.00 0.00 C ATOM 42 OG SER A 5 -3.665 -19.431 1.368 1.00 0.00 O ATOM 0 H SER A 5 -0.284 -19.854 -0.832 1.00 0.00 H new ATOM 0 HA SER A 5 -2.500 -20.045 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.746 -18.697 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.915 -17.573 0.882 1.00 0.00 H new ATOM 0 HG SER A 5 -3.903 -19.146 2.275 1.00 0.00 H new ATOM 48 N SER A 6 -4.182 -18.193 -1.605 1.00 0.00 N ATOM 49 CA SER A 6 -4.958 -17.390 -2.534 1.00 0.00 C ATOM 50 C SER A 6 -4.818 -15.906 -2.187 1.00 0.00 C ATOM 51 O SER A 6 -4.185 -15.555 -1.192 1.00 0.00 O ATOM 52 CB SER A 6 -6.431 -17.802 -2.522 1.00 0.00 C ATOM 53 OG SER A 6 -6.833 -18.387 -3.757 1.00 0.00 O ATOM 0 H SER A 6 -4.735 -18.805 -1.005 1.00 0.00 H new ATOM 0 HA SER A 6 -4.570 -17.559 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.602 -18.512 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.050 -16.929 -2.316 1.00 0.00 H new ATOM 0 HG SER A 6 -7.779 -18.638 -3.708 1.00 0.00 H new ATOM 59 N GLY A 7 -5.420 -15.076 -3.025 1.00 0.00 N ATOM 60 CA GLY A 7 -5.370 -13.638 -2.819 1.00 0.00 C ATOM 61 C GLY A 7 -5.484 -12.889 -4.148 1.00 0.00 C ATOM 62 O GLY A 7 -6.020 -13.420 -5.120 1.00 0.00 O ATOM 0 H GLY A 7 -5.945 -15.371 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.180 -13.334 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.436 -13.370 -2.326 1.00 0.00 H new ATOM 66 N MET A 8 -4.971 -11.668 -4.148 1.00 0.00 N ATOM 67 CA MET A 8 -5.008 -10.841 -5.342 1.00 0.00 C ATOM 68 C MET A 8 -3.786 -9.923 -5.412 1.00 0.00 C ATOM 69 O MET A 8 -3.166 -9.630 -4.390 1.00 0.00 O ATOM 70 CB MET A 8 -6.283 -9.994 -5.338 1.00 0.00 C ATOM 71 CG MET A 8 -6.457 -9.273 -4.000 1.00 0.00 C ATOM 72 SD MET A 8 -8.177 -9.278 -3.524 1.00 0.00 S ATOM 73 CE MET A 8 -8.736 -7.805 -4.363 1.00 0.00 C ATOM 0 H MET A 8 -4.527 -11.231 -3.340 1.00 0.00 H new ATOM 0 HA MET A 8 -4.998 -11.495 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.241 -9.264 -6.146 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.147 -10.630 -5.528 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.857 -9.763 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.096 -8.248 -4.080 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.799 -7.658 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.178 -6.943 -3.996 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.573 -7.913 -5.435 1.00 0.00 H new ATOM 83 N THR A 9 -3.476 -9.494 -6.626 1.00 0.00 N ATOM 84 CA THR A 9 -2.339 -8.615 -6.842 1.00 0.00 C ATOM 85 C THR A 9 -2.813 -7.185 -7.108 1.00 0.00 C ATOM 86 O THR A 9 -3.356 -6.895 -8.173 1.00 0.00 O ATOM 87 CB THR A 9 -1.500 -9.199 -7.981 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.660 -10.154 -7.339 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.523 -8.179 -8.570 1.00 0.00 C ATOM 0 H THR A 9 -3.992 -9.739 -7.471 1.00 0.00 H new ATOM 0 HA THR A 9 -1.711 -8.555 -5.953 1.00 0.00 H new ATOM 0 HB THR A 9 -2.160 -9.566 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.083 -10.582 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.048 -8.644 -9.374 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.079 -7.328 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.159 -7.837 -7.792 1.00 0.00 H new ATOM 97 N VAL A 10 -2.590 -6.329 -6.121 1.00 0.00 N ATOM 98 CA VAL A 10 -2.988 -4.936 -6.234 1.00 0.00 C ATOM 99 C VAL A 10 -1.744 -4.070 -6.438 1.00 0.00 C ATOM 100 O VAL A 10 -0.816 -4.109 -5.631 1.00 0.00 O ATOM 101 CB VAL A 10 -3.809 -4.525 -5.011 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.152 -3.035 -5.056 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.075 -5.376 -4.888 1.00 0.00 C ATOM 0 H VAL A 10 -2.139 -6.573 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.631 -4.792 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.200 -4.702 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.736 -2.769 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.232 -2.450 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.733 -2.822 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.640 -5.063 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.688 -5.247 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.799 -6.426 -4.786 1.00 0.00 H new ATOM 113 N ARG A 11 -1.763 -3.308 -7.522 1.00 0.00 N ATOM 114 CA ARG A 11 -0.648 -2.434 -7.842 1.00 0.00 C ATOM 115 C ARG A 11 -0.825 -1.076 -7.160 1.00 0.00 C ATOM 116 O ARG A 11 -1.938 -0.702 -6.793 1.00 0.00 O ATOM 117 CB ARG A 11 -0.527 -2.226 -9.353 1.00 0.00 C ATOM 118 CG ARG A 11 0.121 -3.439 -10.024 1.00 0.00 C ATOM 119 CD ARG A 11 -0.880 -4.168 -10.923 1.00 0.00 C ATOM 120 NE ARG A 11 -0.245 -5.362 -11.524 1.00 0.00 N ATOM 121 CZ ARG A 11 -0.734 -6.020 -12.583 1.00 0.00 C ATOM 122 NH1 ARG A 11 -1.868 -5.605 -13.165 1.00 0.00 N ATOM 123 NH2 ARG A 11 -0.090 -7.094 -13.061 1.00 0.00 N ATOM 0 H ARG A 11 -2.533 -3.278 -8.190 1.00 0.00 H new ATOM 0 HA ARG A 11 0.262 -2.911 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.515 -2.054 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.067 -1.334 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.979 -3.117 -10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.497 -4.123 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.754 -4.464 -10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.231 -3.498 -11.708 1.00 0.00 H new ATOM 0 HE ARG A 11 0.619 -5.705 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.359 -4.788 -12.801 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.240 -6.106 -13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.773 -7.410 -12.618 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.463 -7.595 -13.868 1.00 0.00 H new ATOM 137 N VAL A 12 0.289 -0.374 -7.010 1.00 0.00 N ATOM 138 CA VAL A 12 0.271 0.934 -6.379 1.00 0.00 C ATOM 139 C VAL A 12 1.085 1.915 -7.225 1.00 0.00 C ATOM 140 O VAL A 12 2.213 1.617 -7.614 1.00 0.00 O ATOM 141 CB VAL A 12 0.774 0.826 -4.938 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.950 2.212 -4.314 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.162 -0.040 -4.093 1.00 0.00 C ATOM 0 H VAL A 12 1.211 -0.687 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.747 1.319 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 12 1.750 0.341 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.308 2.107 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.674 2.783 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.007 2.734 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.219 -0.100 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.158 0.403 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.215 -1.042 -4.520 1.00 0.00 H new ATOM 153 N CYS A 13 0.481 3.066 -7.484 1.00 0.00 N ATOM 154 CA CYS A 13 1.135 4.093 -8.276 1.00 0.00 C ATOM 155 C CYS A 13 1.658 5.172 -7.326 1.00 0.00 C ATOM 156 O CYS A 13 0.993 6.182 -7.101 1.00 0.00 O ATOM 157 CB CYS A 13 0.197 4.672 -9.337 1.00 0.00 C ATOM 158 SG CYS A 13 1.158 5.630 -10.566 1.00 0.00 S ATOM 0 H CYS A 13 -0.455 3.310 -7.159 1.00 0.00 H new ATOM 0 HA CYS A 13 1.970 3.657 -8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.345 3.867 -9.834 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.548 5.313 -8.865 1.00 0.00 H new ATOM 0 HG CYS A 13 0.353 6.116 -11.464 1.00 0.00 H new ATOM 164 N LYS A 14 2.846 4.922 -6.794 1.00 0.00 N ATOM 165 CA LYS A 14 3.466 5.860 -5.874 1.00 0.00 C ATOM 166 C LYS A 14 3.426 7.264 -6.480 1.00 0.00 C ATOM 167 O LYS A 14 3.343 7.416 -7.697 1.00 0.00 O ATOM 168 CB LYS A 14 4.873 5.391 -5.499 1.00 0.00 C ATOM 169 CG LYS A 14 4.817 4.199 -4.541 1.00 0.00 C ATOM 170 CD LYS A 14 6.224 3.749 -4.143 1.00 0.00 C ATOM 171 CE LYS A 14 6.937 3.076 -5.318 1.00 0.00 C ATOM 172 NZ LYS A 14 8.374 2.891 -5.015 1.00 0.00 N ATOM 0 H LYS A 14 3.395 4.083 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 14 2.909 5.901 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.419 5.112 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.421 6.210 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.252 4.471 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.287 3.372 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.803 4.609 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.164 3.056 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.476 2.111 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.824 3.683 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.843 2.433 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.814 3.817 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.477 2.293 -4.170 1.00 0.00 H new ATOM 186 N MET A 15 3.488 8.254 -5.602 1.00 0.00 N ATOM 187 CA MET A 15 3.461 9.641 -6.035 1.00 0.00 C ATOM 188 C MET A 15 4.544 9.911 -7.081 1.00 0.00 C ATOM 189 O MET A 15 4.298 10.594 -8.073 1.00 0.00 O ATOM 190 CB MET A 15 3.676 10.557 -4.829 1.00 0.00 C ATOM 191 CG MET A 15 4.969 10.199 -4.092 1.00 0.00 C ATOM 192 SD MET A 15 4.801 10.564 -2.353 1.00 0.00 S ATOM 193 CE MET A 15 6.514 10.494 -1.856 1.00 0.00 C ATOM 0 H MET A 15 3.557 8.123 -4.593 1.00 0.00 H new ATOM 0 HA MET A 15 2.489 9.842 -6.486 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.717 11.595 -5.159 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.829 10.472 -4.148 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.195 9.142 -4.230 1.00 0.00 H new ATOM 0 HG3 MET A 15 5.804 10.761 -4.511 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.592 10.700 -0.789 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.913 9.501 -2.064 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.085 11.238 -2.412 1.00 0.00 H new ATOM 203 N ASP A 16 5.721 9.359 -6.823 1.00 0.00 N ATOM 204 CA ASP A 16 6.843 9.532 -7.729 1.00 0.00 C ATOM 205 C ASP A 16 7.749 8.301 -7.652 1.00 0.00 C ATOM 206 O ASP A 16 8.966 8.429 -7.523 1.00 0.00 O ATOM 207 CB ASP A 16 7.677 10.757 -7.348 1.00 0.00 C ATOM 208 CG ASP A 16 7.917 10.934 -5.847 1.00 0.00 C ATOM 209 OD1 ASP A 16 7.939 9.896 -5.150 1.00 0.00 O ATOM 210 OD2 ASP A 16 8.073 12.102 -5.431 1.00 0.00 O ATOM 0 H ASP A 16 5.921 8.792 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 16 6.446 9.666 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.642 10.691 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.180 11.649 -7.729 1.00 0.00 H new ATOM 215 N GLY A 17 7.121 7.137 -7.736 1.00 0.00 N ATOM 216 CA GLY A 17 7.855 5.885 -7.677 1.00 0.00 C ATOM 217 C GLY A 17 7.405 4.933 -8.787 1.00 0.00 C ATOM 218 O GLY A 17 6.890 5.371 -9.814 1.00 0.00 O ATOM 0 H GLY A 17 6.112 7.035 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.923 6.081 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.702 5.415 -6.706 1.00 0.00 H new ATOM 222 N GLU A 18 7.615 3.648 -8.542 1.00 0.00 N ATOM 223 CA GLU A 18 7.237 2.630 -9.508 1.00 0.00 C ATOM 224 C GLU A 18 6.060 1.808 -8.979 1.00 0.00 C ATOM 225 O GLU A 18 5.646 1.976 -7.833 1.00 0.00 O ATOM 226 CB GLU A 18 8.426 1.729 -9.848 1.00 0.00 C ATOM 227 CG GLU A 18 8.535 1.513 -11.359 1.00 0.00 C ATOM 228 CD GLU A 18 8.266 0.052 -11.725 1.00 0.00 C ATOM 229 OE1 GLU A 18 7.574 -0.615 -10.925 1.00 0.00 O ATOM 230 OE2 GLU A 18 8.757 -0.364 -12.796 1.00 0.00 O ATOM 0 H GLU A 18 8.042 3.288 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 18 6.925 3.126 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.346 2.178 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.314 0.768 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.823 2.158 -11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.530 1.800 -11.700 1.00 0.00 H new ATOM 237 N VAL A 19 5.554 0.937 -9.840 1.00 0.00 N ATOM 238 CA VAL A 19 4.433 0.089 -9.474 1.00 0.00 C ATOM 239 C VAL A 19 4.923 -1.026 -8.548 1.00 0.00 C ATOM 240 O VAL A 19 5.978 -1.614 -8.782 1.00 0.00 O ATOM 241 CB VAL A 19 3.744 -0.440 -10.734 1.00 0.00 C ATOM 242 CG1 VAL A 19 2.537 -1.309 -10.375 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.338 0.708 -11.660 1.00 0.00 C ATOM 0 H VAL A 19 5.900 0.801 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 19 3.684 0.661 -8.926 1.00 0.00 H new ATOM 0 HB VAL A 19 4.459 -1.065 -11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.066 -1.672 -11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.865 -2.157 -9.774 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.819 -0.718 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.851 0.305 -12.548 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.649 1.371 -11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.225 1.268 -11.956 1.00 0.00 H new ATOM 253 N MET A 20 4.134 -1.284 -7.515 1.00 0.00 N ATOM 254 CA MET A 20 4.475 -2.317 -6.553 1.00 0.00 C ATOM 255 C MET A 20 3.331 -3.321 -6.398 1.00 0.00 C ATOM 256 O MET A 20 2.210 -2.944 -6.059 1.00 0.00 O ATOM 257 CB MET A 20 4.776 -1.674 -5.197 1.00 0.00 C ATOM 258 CG MET A 20 6.279 -1.446 -5.021 1.00 0.00 C ATOM 259 SD MET A 20 6.568 -0.270 -3.710 1.00 0.00 S ATOM 260 CE MET A 20 5.205 -0.669 -2.629 1.00 0.00 C ATOM 0 H MET A 20 3.260 -0.795 -7.324 1.00 0.00 H new ATOM 0 HA MET A 20 5.354 -2.849 -6.916 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.248 -0.724 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.405 -2.314 -4.396 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.774 -2.389 -4.790 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.711 -1.079 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.409 -0.286 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.291 -0.214 -3.012 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.081 -1.751 -2.584 1.00 0.00 H new ATOM 270 N PRO A 21 3.661 -4.614 -6.662 1.00 0.00 N ATOM 271 CA PRO A 21 2.675 -5.675 -6.555 1.00 0.00 C ATOM 272 C PRO A 21 2.386 -6.011 -5.091 1.00 0.00 C ATOM 273 O PRO A 21 3.226 -6.592 -4.406 1.00 0.00 O ATOM 274 CB PRO A 21 3.268 -6.843 -7.327 1.00 0.00 C ATOM 275 CG PRO A 21 4.756 -6.554 -7.440 1.00 0.00 C ATOM 276 CD PRO A 21 4.978 -5.098 -7.066 1.00 0.00 C ATOM 0 HA PRO A 21 1.707 -5.392 -6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.091 -7.785 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.811 -6.932 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.323 -7.209 -6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.106 -6.745 -8.454 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.701 -5.003 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.368 -4.528 -7.909 1.00 0.00 H new ATOM 284 N VAL A 22 1.194 -5.631 -4.654 1.00 0.00 N ATOM 285 CA VAL A 22 0.784 -5.884 -3.283 1.00 0.00 C ATOM 286 C VAL A 22 -0.156 -7.091 -3.251 1.00 0.00 C ATOM 287 O VAL A 22 -0.867 -7.353 -4.220 1.00 0.00 O ATOM 288 CB VAL A 22 0.160 -4.623 -2.682 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.370 -4.893 -1.272 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.159 -3.464 -2.680 1.00 0.00 C ATOM 0 H VAL A 22 0.499 -5.150 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 22 1.648 -6.129 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.684 -4.336 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.808 -3.981 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.129 -5.674 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.450 -5.217 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.690 -2.580 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.032 -3.738 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.467 -3.248 -3.703 1.00 0.00 H new ATOM 300 N VAL A 23 -0.130 -7.792 -2.128 1.00 0.00 N ATOM 301 CA VAL A 23 -0.971 -8.964 -1.957 1.00 0.00 C ATOM 302 C VAL A 23 -1.946 -8.723 -0.803 1.00 0.00 C ATOM 303 O VAL A 23 -1.559 -8.208 0.245 1.00 0.00 O ATOM 304 CB VAL A 23 -0.103 -10.207 -1.756 1.00 0.00 C ATOM 305 CG1 VAL A 23 -0.929 -11.371 -1.205 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.600 -10.601 -3.057 1.00 0.00 C ATOM 0 H VAL A 23 0.461 -7.571 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.565 -9.141 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 23 0.664 -9.964 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.287 -12.242 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.361 -11.088 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.728 -11.613 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.211 -11.488 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.145 -10.816 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.236 -9.781 -3.390 1.00 0.00 H new ATOM 316 N VAL A 24 -3.193 -9.107 -1.034 1.00 0.00 N ATOM 317 CA VAL A 24 -4.227 -8.939 -0.026 1.00 0.00 C ATOM 318 C VAL A 24 -5.213 -10.105 -0.115 1.00 0.00 C ATOM 319 O VAL A 24 -5.028 -11.020 -0.916 1.00 0.00 O ATOM 320 CB VAL A 24 -4.899 -7.574 -0.188 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.104 -6.483 0.533 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.088 -7.228 -1.666 1.00 0.00 C ATOM 0 H VAL A 24 -3.511 -9.534 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.793 -8.956 0.974 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.886 -7.629 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.603 -5.523 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.043 -6.719 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.099 -6.429 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.568 -6.253 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.117 -7.200 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.714 -7.984 -2.139 1.00 0.00 H new ATOM 332 N VAL A 25 -6.240 -10.034 0.720 1.00 0.00 N ATOM 333 CA VAL A 25 -7.256 -11.073 0.746 1.00 0.00 C ATOM 334 C VAL A 25 -8.274 -10.812 -0.366 1.00 0.00 C ATOM 335 O VAL A 25 -8.493 -9.667 -0.757 1.00 0.00 O ATOM 336 CB VAL A 25 -7.894 -11.146 2.135 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.893 -11.661 3.171 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.463 -9.788 2.549 1.00 0.00 C ATOM 0 H VAL A 25 -6.390 -9.274 1.383 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.809 -12.049 0.556 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.721 -11.854 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.371 -11.703 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.557 -12.659 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.036 -10.989 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.910 -9.868 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.662 -9.049 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.223 -9.478 1.832 1.00 0.00 H new ATOM 348 N GLN A 26 -8.870 -11.895 -0.845 1.00 0.00 N ATOM 349 CA GLN A 26 -9.859 -11.798 -1.905 1.00 0.00 C ATOM 350 C GLN A 26 -10.925 -10.761 -1.543 1.00 0.00 C ATOM 351 O GLN A 26 -11.612 -10.240 -2.420 1.00 0.00 O ATOM 352 CB GLN A 26 -10.495 -13.160 -2.188 1.00 0.00 C ATOM 353 CG GLN A 26 -10.380 -13.521 -3.670 1.00 0.00 C ATOM 354 CD GLN A 26 -11.131 -14.818 -3.978 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.344 -14.849 -4.104 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.344 -15.885 -4.092 1.00 0.00 N ATOM 0 H GLN A 26 -8.687 -12.844 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.356 -11.472 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.007 -13.926 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.545 -13.143 -1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.782 -12.710 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.330 -13.631 -3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.335 -15.790 -3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.750 -16.798 -4.297 1.00 0.00 H new ATOM 365 N ASN A 27 -11.028 -10.492 -0.249 1.00 0.00 N ATOM 366 CA ASN A 27 -11.998 -9.527 0.239 1.00 0.00 C ATOM 367 C ASN A 27 -11.328 -8.613 1.267 1.00 0.00 C ATOM 368 O ASN A 27 -11.673 -8.641 2.447 1.00 0.00 O ATOM 369 CB ASN A 27 -13.174 -10.226 0.924 1.00 0.00 C ATOM 370 CG ASN A 27 -12.684 -11.182 2.014 1.00 0.00 C ATOM 371 OD1 ASN A 27 -12.626 -10.850 3.187 1.00 0.00 O ATOM 372 ND2 ASN A 27 -12.337 -12.384 1.563 1.00 0.00 N ATOM 0 H ASN A 27 -10.456 -10.926 0.476 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.365 -8.957 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.840 -9.482 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.754 -10.778 0.185 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.998 -13.094 2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.410 -12.596 0.568 1.00 0.00 H new ATOM 379 N ALA A 28 -10.381 -7.823 0.781 1.00 0.00 N ATOM 380 CA ALA A 28 -9.659 -6.902 1.643 1.00 0.00 C ATOM 381 C ALA A 28 -10.312 -5.521 1.565 1.00 0.00 C ATOM 382 O ALA A 28 -11.222 -5.304 0.766 1.00 0.00 O ATOM 383 CB ALA A 28 -8.184 -6.875 1.239 1.00 0.00 C ATOM 0 H ALA A 28 -10.097 -7.802 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.706 -7.230 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.642 -6.184 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.761 -7.874 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.096 -6.547 0.203 1.00 0.00 H new ATOM 389 N THR A 29 -9.820 -4.621 2.405 1.00 0.00 N ATOM 390 CA THR A 29 -10.344 -3.267 2.441 1.00 0.00 C ATOM 391 C THR A 29 -9.215 -2.253 2.247 1.00 0.00 C ATOM 392 O THR A 29 -8.065 -2.633 2.028 1.00 0.00 O ATOM 393 CB THR A 29 -11.102 -3.087 3.758 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.074 -2.998 4.741 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.889 -4.338 4.156 1.00 0.00 C ATOM 0 H THR A 29 -9.064 -4.804 3.065 1.00 0.00 H new ATOM 0 HA THR A 29 -11.041 -3.092 1.622 1.00 0.00 H new ATOM 0 HB THR A 29 -11.783 -2.241 3.672 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.598 -3.853 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.408 -4.157 5.097 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.617 -4.572 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.203 -5.177 4.276 1.00 0.00 H new ATOM 403 N VAL A 30 -9.581 -0.983 2.335 1.00 0.00 N ATOM 404 CA VAL A 30 -8.613 0.088 2.171 1.00 0.00 C ATOM 405 C VAL A 30 -7.504 -0.070 3.213 1.00 0.00 C ATOM 406 O VAL A 30 -6.322 0.046 2.890 1.00 0.00 O ATOM 407 CB VAL A 30 -9.316 1.445 2.248 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.310 2.592 2.127 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.407 1.558 1.182 1.00 0.00 C ATOM 0 H VAL A 30 -10.535 -0.671 2.518 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.146 0.034 1.188 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.793 1.520 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.836 3.545 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.585 2.528 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.791 2.521 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.891 2.532 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.962 1.451 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.147 0.772 1.334 1.00 0.00 H new ATOM 419 N LEU A 31 -7.923 -0.332 4.442 1.00 0.00 N ATOM 420 CA LEU A 31 -6.979 -0.507 5.534 1.00 0.00 C ATOM 421 C LEU A 31 -5.958 -1.579 5.151 1.00 0.00 C ATOM 422 O LEU A 31 -4.762 -1.302 5.070 1.00 0.00 O ATOM 423 CB LEU A 31 -7.720 -0.800 6.840 1.00 0.00 C ATOM 424 CG LEU A 31 -7.506 0.206 7.973 1.00 0.00 C ATOM 425 CD1 LEU A 31 -8.512 -0.020 9.104 1.00 0.00 C ATOM 426 CD2 LEU A 31 -6.061 0.168 8.474 1.00 0.00 C ATOM 0 H LEU A 31 -8.903 -0.427 4.707 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.423 0.414 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.787 -0.853 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.416 -1.785 7.194 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.684 1.207 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.338 0.708 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.525 0.098 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.390 -1.027 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.936 0.892 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.831 -0.831 8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.385 0.415 7.655 1.00 0.00 H new ATOM 438 N ASP A 32 -6.466 -2.782 4.927 1.00 0.00 N ATOM 439 CA ASP A 32 -5.612 -3.898 4.555 1.00 0.00 C ATOM 440 C ASP A 32 -4.593 -3.430 3.515 1.00 0.00 C ATOM 441 O ASP A 32 -3.388 -3.591 3.704 1.00 0.00 O ATOM 442 CB ASP A 32 -6.429 -5.035 3.938 1.00 0.00 C ATOM 443 CG ASP A 32 -7.471 -5.660 4.868 1.00 0.00 C ATOM 444 OD1 ASP A 32 -8.600 -5.123 4.898 1.00 0.00 O ATOM 445 OD2 ASP A 32 -7.117 -6.661 5.527 1.00 0.00 O ATOM 0 H ASP A 32 -7.458 -3.009 4.996 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.116 -4.258 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.936 -4.658 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.745 -5.816 3.607 1.00 0.00 H new ATOM 450 N LEU A 33 -5.113 -2.859 2.438 1.00 0.00 N ATOM 451 CA LEU A 33 -4.263 -2.366 1.368 1.00 0.00 C ATOM 452 C LEU A 33 -3.024 -1.701 1.971 1.00 0.00 C ATOM 453 O LEU A 33 -1.897 -2.035 1.607 1.00 0.00 O ATOM 454 CB LEU A 33 -5.057 -1.453 0.431 1.00 0.00 C ATOM 455 CG LEU A 33 -4.638 -1.475 -1.041 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.262 -0.832 -1.228 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.688 -2.896 -1.604 1.00 0.00 C ATOM 0 H LEU A 33 -6.113 -2.727 2.284 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.912 -3.192 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.110 -1.729 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.974 -0.430 0.797 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.352 -0.879 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.987 -0.860 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.295 0.204 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.522 -1.381 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.386 -2.883 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.010 -3.535 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.704 -3.283 -1.524 1.00 0.00 H new ATOM 469 N LYS A 34 -3.275 -0.773 2.882 1.00 0.00 N ATOM 470 CA LYS A 34 -2.193 -0.058 3.539 1.00 0.00 C ATOM 471 C LYS A 34 -1.273 -1.063 4.236 1.00 0.00 C ATOM 472 O LYS A 34 -0.060 -1.043 4.034 1.00 0.00 O ATOM 473 CB LYS A 34 -2.751 1.016 4.474 1.00 0.00 C ATOM 474 CG LYS A 34 -3.265 2.220 3.681 1.00 0.00 C ATOM 475 CD LYS A 34 -4.791 2.310 3.747 1.00 0.00 C ATOM 476 CE LYS A 34 -5.234 3.556 4.515 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.930 3.174 5.765 1.00 0.00 N ATOM 0 H LYS A 34 -4.211 -0.499 3.181 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.587 0.474 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.560 0.598 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.975 1.338 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.826 3.135 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.947 2.138 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.201 2.336 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.191 1.419 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.367 4.174 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.896 4.158 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.224 4.032 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.768 2.603 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.287 2.619 6.365 1.00 0.00 H new ATOM 491 N LYS A 35 -1.886 -1.917 5.043 1.00 0.00 N ATOM 492 CA LYS A 35 -1.137 -2.927 5.771 1.00 0.00 C ATOM 493 C LYS A 35 -0.259 -3.709 4.792 1.00 0.00 C ATOM 494 O LYS A 35 0.942 -3.858 5.014 1.00 0.00 O ATOM 495 CB LYS A 35 -2.083 -3.809 6.588 1.00 0.00 C ATOM 496 CG LYS A 35 -2.579 -3.074 7.835 1.00 0.00 C ATOM 497 CD LYS A 35 -3.965 -2.470 7.601 1.00 0.00 C ATOM 498 CE LYS A 35 -4.938 -2.888 8.705 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.054 -4.363 8.763 1.00 0.00 N ATOM 0 H LYS A 35 -2.892 -1.930 5.209 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.469 -2.459 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.933 -4.103 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.570 -4.725 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.617 -3.765 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.875 -2.285 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.891 -1.383 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.348 -2.793 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.593 -2.506 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.918 -2.447 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.019 -4.624 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.850 -4.764 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.374 -4.738 9.455 1.00 0.00 H new ATOM 513 N ALA A 36 -0.892 -4.187 3.731 1.00 0.00 N ATOM 514 CA ALA A 36 -0.183 -4.950 2.718 1.00 0.00 C ATOM 515 C ALA A 36 1.039 -4.156 2.250 1.00 0.00 C ATOM 516 O ALA A 36 2.174 -4.525 2.546 1.00 0.00 O ATOM 517 CB ALA A 36 -1.136 -5.283 1.569 1.00 0.00 C ATOM 0 H ALA A 36 -1.888 -4.061 3.551 1.00 0.00 H new ATOM 0 HA ALA A 36 0.174 -5.894 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.604 -5.855 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.971 -5.872 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.513 -4.359 1.130 1.00 0.00 H new ATOM 523 N ILE A 37 0.764 -3.080 1.526 1.00 0.00 N ATOM 524 CA ILE A 37 1.826 -2.231 1.014 1.00 0.00 C ATOM 525 C ILE A 37 2.916 -2.087 2.079 1.00 0.00 C ATOM 526 O ILE A 37 4.098 -1.997 1.754 1.00 0.00 O ATOM 527 CB ILE A 37 1.259 -0.896 0.531 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.311 -1.099 -0.653 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.381 0.091 0.203 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.520 0.159 -0.913 1.00 0.00 C ATOM 0 H ILE A 37 -0.179 -2.777 1.282 1.00 0.00 H new ATOM 0 HA ILE A 37 2.291 -2.688 0.140 1.00 0.00 H new ATOM 0 HB ILE A 37 0.674 -0.461 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.886 -1.350 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.351 -1.941 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.950 1.032 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.981 0.269 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.013 -0.324 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.185 -0.013 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.112 0.393 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.144 0.994 -1.137 1.00 0.00 H new ATOM 542 N GLN A 38 2.478 -2.070 3.330 1.00 0.00 N ATOM 543 CA GLN A 38 3.401 -1.938 4.444 1.00 0.00 C ATOM 544 C GLN A 38 4.164 -3.246 4.658 1.00 0.00 C ATOM 545 O GLN A 38 5.386 -3.285 4.524 1.00 0.00 O ATOM 546 CB GLN A 38 2.665 -1.517 5.718 1.00 0.00 C ATOM 547 CG GLN A 38 2.884 -0.031 6.011 1.00 0.00 C ATOM 548 CD GLN A 38 2.380 0.331 7.410 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.576 1.230 7.595 1.00 0.00 O ATOM 550 NE2 GLN A 38 2.897 -0.416 8.381 1.00 0.00 N ATOM 0 H GLN A 38 1.496 -2.145 3.596 1.00 0.00 H new ATOM 0 HA GLN A 38 4.121 -1.155 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.599 -1.717 5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.017 -2.113 6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.945 0.207 5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.364 0.571 5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.566 -1.153 8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.625 -0.252 9.350 1.00 0.00 H new ATOM 559 N ARG A 39 3.412 -4.286 4.989 1.00 0.00 N ATOM 560 CA ARG A 39 4.003 -5.592 5.223 1.00 0.00 C ATOM 561 C ARG A 39 4.859 -6.010 4.026 1.00 0.00 C ATOM 562 O ARG A 39 5.710 -6.890 4.144 1.00 0.00 O ATOM 563 CB ARG A 39 2.924 -6.650 5.463 1.00 0.00 C ATOM 564 CG ARG A 39 3.526 -7.922 6.061 1.00 0.00 C ATOM 565 CD ARG A 39 2.932 -8.215 7.440 1.00 0.00 C ATOM 566 NE ARG A 39 3.912 -8.953 8.268 1.00 0.00 N ATOM 567 CZ ARG A 39 5.034 -8.414 8.763 1.00 0.00 C ATOM 568 NH1 ARG A 39 5.325 -7.129 8.517 1.00 0.00 N ATOM 569 NH2 ARG A 39 5.866 -9.159 9.504 1.00 0.00 N ATOM 0 H ARG A 39 2.399 -4.250 5.101 1.00 0.00 H new ATOM 0 HA ARG A 39 4.628 -5.518 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.163 -6.253 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.426 -6.886 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.340 -8.764 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.607 -7.813 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.657 -7.282 7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.019 -8.801 7.335 1.00 0.00 H new ATOM 0 HE ARG A 39 3.721 -9.933 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.692 -6.562 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.179 -6.718 8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.645 -10.137 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.720 -8.748 9.881 1.00 0.00 H new ATOM 583 N TYR A 40 4.605 -5.358 2.901 1.00 0.00 N ATOM 584 CA TYR A 40 5.342 -5.651 1.684 1.00 0.00 C ATOM 585 C TYR A 40 6.741 -5.034 1.728 1.00 0.00 C ATOM 586 O TYR A 40 7.716 -5.668 1.326 1.00 0.00 O ATOM 587 CB TYR A 40 4.549 -5.006 0.545 1.00 0.00 C ATOM 588 CG TYR A 40 5.206 -5.148 -0.829 1.00 0.00 C ATOM 589 CD1 TYR A 40 5.011 -6.295 -1.572 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.994 -4.130 -1.326 1.00 0.00 C ATOM 591 CE1 TYR A 40 5.630 -6.428 -2.866 1.00 0.00 C ATOM 592 CE2 TYR A 40 6.613 -4.263 -2.620 1.00 0.00 C ATOM 593 CZ TYR A 40 6.400 -5.406 -3.326 1.00 0.00 C ATOM 594 OH TYR A 40 6.984 -5.532 -4.547 1.00 0.00 O ATOM 0 H TYR A 40 3.899 -4.628 2.807 1.00 0.00 H new ATOM 0 HA TYR A 40 5.458 -6.727 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.556 -5.453 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.414 -3.947 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.395 -7.092 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.147 -3.233 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.486 -7.320 -3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.232 -3.474 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 40 7.503 -4.725 -4.746 1.00 0.00 H new ATOM 604 N VAL A 41 6.796 -3.805 2.219 1.00 0.00 N ATOM 605 CA VAL A 41 8.060 -3.095 2.321 1.00 0.00 C ATOM 606 C VAL A 41 8.728 -3.442 3.653 1.00 0.00 C ATOM 607 O VAL A 41 9.918 -3.753 3.692 1.00 0.00 O ATOM 608 CB VAL A 41 7.832 -1.593 2.140 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.009 -0.789 2.698 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.581 -1.250 0.670 1.00 0.00 C ATOM 0 H VAL A 41 5.985 -3.282 2.551 1.00 0.00 H new ATOM 0 HA VAL A 41 8.738 -3.405 1.526 1.00 0.00 H new ATOM 0 HB VAL A 41 6.941 -1.318 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.822 0.276 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.122 -1.000 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.922 -1.070 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.422 -0.176 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.445 -1.547 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.697 -1.782 0.318 1.00 0.00 H new ATOM 620 N GLN A 42 7.935 -3.377 4.712 1.00 0.00 N ATOM 621 CA GLN A 42 8.435 -3.680 6.042 1.00 0.00 C ATOM 622 C GLN A 42 9.097 -5.059 6.058 1.00 0.00 C ATOM 623 O GLN A 42 10.315 -5.165 6.197 1.00 0.00 O ATOM 624 CB GLN A 42 7.315 -3.597 7.081 1.00 0.00 C ATOM 625 CG GLN A 42 7.869 -3.208 8.454 1.00 0.00 C ATOM 626 CD GLN A 42 6.986 -3.758 9.576 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.000 -4.937 9.891 1.00 0.00 O ATOM 628 NE2 GLN A 42 6.221 -2.841 10.161 1.00 0.00 N ATOM 0 H GLN A 42 6.949 -3.119 4.676 1.00 0.00 H new ATOM 0 HA GLN A 42 9.186 -2.935 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.573 -2.865 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.805 -4.558 7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.883 -3.592 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.929 -2.122 8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.258 -1.871 9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.597 -3.108 10.923 1.00 0.00 H new ATOM 637 N LEU A 43 8.267 -6.081 5.915 1.00 0.00 N ATOM 638 CA LEU A 43 8.756 -7.449 5.911 1.00 0.00 C ATOM 639 C LEU A 43 10.024 -7.530 5.058 1.00 0.00 C ATOM 640 O LEU A 43 10.958 -8.256 5.396 1.00 0.00 O ATOM 641 CB LEU A 43 7.653 -8.412 5.466 1.00 0.00 C ATOM 642 CG LEU A 43 7.595 -8.719 3.969 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.804 -9.549 3.532 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.273 -9.394 3.598 1.00 0.00 C ATOM 0 H LEU A 43 7.258 -5.989 5.801 1.00 0.00 H new ATOM 0 HA LEU A 43 9.029 -7.759 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.779 -9.351 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.692 -7.997 5.769 1.00 0.00 H new ATOM 0 HG LEU A 43 7.638 -7.775 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.738 -9.753 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.720 -8.995 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.817 -10.490 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.258 -9.601 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.174 -10.329 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.444 -8.734 3.851 1.00 0.00 H new ATOM 656 N LYS A 44 10.016 -6.775 3.970 1.00 0.00 N ATOM 657 CA LYS A 44 11.154 -6.752 3.066 1.00 0.00 C ATOM 658 C LYS A 44 12.404 -6.325 3.838 1.00 0.00 C ATOM 659 O LYS A 44 13.284 -7.142 4.102 1.00 0.00 O ATOM 660 CB LYS A 44 10.853 -5.876 1.848 1.00 0.00 C ATOM 661 CG LYS A 44 11.062 -6.655 0.548 1.00 0.00 C ATOM 662 CD LYS A 44 10.572 -5.851 -0.658 1.00 0.00 C ATOM 663 CE LYS A 44 11.743 -5.190 -1.388 1.00 0.00 C ATOM 664 NZ LYS A 44 11.388 -4.921 -2.800 1.00 0.00 N ATOM 0 H LYS A 44 9.240 -6.174 3.693 1.00 0.00 H new ATOM 0 HA LYS A 44 11.348 -7.749 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.825 -5.516 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.499 -4.998 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.119 -6.891 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.528 -7.604 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.035 -6.507 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.867 -5.088 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.010 -4.258 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.619 -5.837 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.194 -4.472 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.155 -5.816 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.566 -4.285 -2.836 1.00 0.00 H new ATOM 678 N GLN A 45 12.441 -5.044 4.178 1.00 0.00 N ATOM 679 CA GLN A 45 13.569 -4.498 4.914 1.00 0.00 C ATOM 680 C GLN A 45 13.864 -5.356 6.146 1.00 0.00 C ATOM 681 O GLN A 45 15.023 -5.625 6.456 1.00 0.00 O ATOM 682 CB GLN A 45 13.313 -3.042 5.308 1.00 0.00 C ATOM 683 CG GLN A 45 13.087 -2.171 4.071 1.00 0.00 C ATOM 684 CD GLN A 45 12.846 -0.712 4.464 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.967 -0.390 5.247 1.00 0.00 O ATOM 686 NE2 GLN A 45 13.673 0.149 3.879 1.00 0.00 N ATOM 0 H GLN A 45 11.708 -4.369 3.957 1.00 0.00 H new ATOM 0 HA GLN A 45 14.445 -4.516 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.442 -2.986 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.162 -2.661 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.954 -2.236 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.232 -2.546 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.387 -0.188 3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.594 1.147 4.076 1.00 0.00 H new ATOM 695 N GLU A 46 12.795 -5.762 6.814 1.00 0.00 N ATOM 696 CA GLU A 46 12.925 -6.584 8.006 1.00 0.00 C ATOM 697 C GLU A 46 13.937 -7.706 7.768 1.00 0.00 C ATOM 698 O GLU A 46 14.826 -7.929 8.589 1.00 0.00 O ATOM 699 CB GLU A 46 11.569 -7.150 8.432 1.00 0.00 C ATOM 700 CG GLU A 46 11.233 -6.748 9.869 1.00 0.00 C ATOM 701 CD GLU A 46 11.466 -7.913 10.833 1.00 0.00 C ATOM 702 OE1 GLU A 46 12.636 -8.341 10.935 1.00 0.00 O ATOM 703 OE2 GLU A 46 10.468 -8.349 11.447 1.00 0.00 O ATOM 0 H GLU A 46 11.835 -5.538 6.553 1.00 0.00 H new ATOM 0 HA GLU A 46 13.291 -5.957 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.792 -6.788 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.582 -8.237 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.847 -5.898 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.193 -6.426 9.927 1.00 0.00 H new ATOM 710 N ARG A 47 13.769 -8.383 6.642 1.00 0.00 N ATOM 711 CA ARG A 47 14.658 -9.477 6.287 1.00 0.00 C ATOM 712 C ARG A 47 16.106 -9.113 6.617 1.00 0.00 C ATOM 713 O ARG A 47 16.799 -9.866 7.300 1.00 0.00 O ATOM 714 CB ARG A 47 14.550 -9.812 4.798 1.00 0.00 C ATOM 715 CG ARG A 47 13.202 -10.460 4.477 1.00 0.00 C ATOM 716 CD ARG A 47 13.214 -11.950 4.825 1.00 0.00 C ATOM 717 NE ARG A 47 12.831 -12.750 3.640 1.00 0.00 N ATOM 718 CZ ARG A 47 13.674 -13.079 2.651 1.00 0.00 C ATOM 719 NH1 ARG A 47 14.952 -12.679 2.700 1.00 0.00 N ATOM 720 NH2 ARG A 47 13.238 -13.807 1.614 1.00 0.00 N ATOM 0 H ARG A 47 13.031 -8.196 5.963 1.00 0.00 H new ATOM 0 HA ARG A 47 14.358 -10.350 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.670 -8.904 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.358 -10.486 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.411 -9.959 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.976 -10.332 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.206 -12.244 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.523 -12.146 5.645 1.00 0.00 H new ATOM 0 HE ARG A 47 11.865 -13.071 3.572 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.283 -12.124 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.594 -12.929 1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.265 -14.111 1.577 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.879 -14.057 0.861 1.00 0.00 H new ATOM 734 N GLU A 48 16.521 -7.958 6.118 1.00 0.00 N ATOM 735 CA GLU A 48 17.875 -7.484 6.352 1.00 0.00 C ATOM 736 C GLU A 48 17.953 -6.736 7.684 1.00 0.00 C ATOM 737 O GLU A 48 19.019 -6.652 8.292 1.00 0.00 O ATOM 738 CB GLU A 48 18.354 -6.601 5.198 1.00 0.00 C ATOM 739 CG GLU A 48 18.665 -7.441 3.957 1.00 0.00 C ATOM 740 CD GLU A 48 19.079 -6.552 2.783 1.00 0.00 C ATOM 741 OE1 GLU A 48 18.402 -5.519 2.587 1.00 0.00 O ATOM 742 OE2 GLU A 48 20.064 -6.924 2.109 1.00 0.00 O ATOM 0 H GLU A 48 15.943 -7.336 5.552 1.00 0.00 H new ATOM 0 HA GLU A 48 18.538 -8.348 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.589 -5.862 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.245 -6.051 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.464 -8.147 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.789 -8.028 3.682 1.00 0.00 H new ATOM 749 N GLY A 49 16.809 -6.212 8.100 1.00 0.00 N ATOM 750 CA GLY A 49 16.735 -5.473 9.349 1.00 0.00 C ATOM 751 C GLY A 49 16.472 -3.988 9.093 1.00 0.00 C ATOM 752 O GLY A 49 17.323 -3.146 9.373 1.00 0.00 O ATOM 0 H GLY A 49 15.926 -6.285 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.941 -5.884 9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.667 -5.591 9.901 1.00 0.00 H new ATOM 756 N GLY A 50 15.290 -3.712 8.563 1.00 0.00 N ATOM 757 CA GLY A 50 14.904 -2.343 8.266 1.00 0.00 C ATOM 758 C GLY A 50 15.169 -1.426 9.462 1.00 0.00 C ATOM 759 O GLY A 50 15.588 -1.889 10.522 1.00 0.00 O ATOM 0 H GLY A 50 14.586 -4.413 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.459 -1.985 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.847 -2.308 8.004 1.00 0.00 H new ATOM 763 N VAL A 51 14.915 -0.143 9.252 1.00 0.00 N ATOM 764 CA VAL A 51 15.121 0.842 10.299 1.00 0.00 C ATOM 765 C VAL A 51 14.222 0.508 11.491 1.00 0.00 C ATOM 766 O VAL A 51 13.085 0.073 11.313 1.00 0.00 O ATOM 767 CB VAL A 51 14.885 2.250 9.748 1.00 0.00 C ATOM 768 CG1 VAL A 51 14.542 3.229 10.872 1.00 0.00 C ATOM 769 CG2 VAL A 51 16.096 2.735 8.948 1.00 0.00 C ATOM 0 H VAL A 51 14.568 0.237 8.371 1.00 0.00 H new ATOM 0 HA VAL A 51 16.152 0.815 10.651 1.00 0.00 H new ATOM 0 HB VAL A 51 14.032 2.206 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.379 4.222 10.453 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.637 2.897 11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.365 3.267 11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.903 3.738 8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.974 2.755 9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.275 2.058 8.113 1.00 0.00 H new ATOM 779 N GLN A 52 14.765 0.725 12.680 1.00 0.00 N ATOM 780 CA GLN A 52 14.026 0.453 13.901 1.00 0.00 C ATOM 781 C GLN A 52 12.654 1.128 13.853 1.00 0.00 C ATOM 782 O GLN A 52 12.519 2.296 14.214 1.00 0.00 O ATOM 783 CB GLN A 52 14.815 0.904 15.132 1.00 0.00 C ATOM 784 CG GLN A 52 15.301 2.346 14.974 1.00 0.00 C ATOM 785 CD GLN A 52 16.732 2.503 15.492 1.00 0.00 C ATOM 786 OE1 GLN A 52 17.687 2.010 14.914 1.00 0.00 O ATOM 787 NE2 GLN A 52 16.827 3.214 16.612 1.00 0.00 N ATOM 0 H GLN A 52 15.708 1.086 12.824 1.00 0.00 H new ATOM 0 HA GLN A 52 13.877 -0.624 13.979 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.188 0.823 16.020 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.669 0.243 15.283 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.257 2.635 13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.638 3.019 15.518 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.987 3.599 17.045 1.00 0.00 H new ATOM 0 HE22 GLN A 52 17.740 3.375 17.038 1.00 0.00 H new ATOM 796 N HIS A 53 11.669 0.364 13.404 1.00 0.00 N ATOM 797 CA HIS A 53 10.312 0.873 13.303 1.00 0.00 C ATOM 798 C HIS A 53 10.270 2.026 12.298 1.00 0.00 C ATOM 799 O HIS A 53 11.134 2.900 12.314 1.00 0.00 O ATOM 800 CB HIS A 53 9.777 1.268 14.681 1.00 0.00 C ATOM 801 CG HIS A 53 8.341 0.864 14.921 1.00 0.00 C ATOM 802 ND1 HIS A 53 7.873 -0.416 14.684 1.00 0.00 N ATOM 803 CD2 HIS A 53 7.278 1.585 15.378 1.00 0.00 C ATOM 804 CE1 HIS A 53 6.584 -0.453 14.989 1.00 0.00 C ATOM 805 NE2 HIS A 53 6.217 0.788 15.418 1.00 0.00 N ATOM 0 H HIS A 53 11.784 -0.605 13.106 1.00 0.00 H new ATOM 0 HA HIS A 53 9.652 0.089 12.932 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.405 0.813 15.447 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.864 2.348 14.797 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.296 2.627 15.660 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.938 -1.315 14.911 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.281 1.059 15.720 1.00 0.00 H new ATOM 813 N ILE A 54 9.255 1.989 11.447 1.00 0.00 N ATOM 814 CA ILE A 54 9.088 3.020 10.437 1.00 0.00 C ATOM 815 C ILE A 54 7.855 3.862 10.771 1.00 0.00 C ATOM 816 O ILE A 54 6.919 3.374 11.402 1.00 0.00 O ATOM 817 CB ILE A 54 9.048 2.399 9.039 1.00 0.00 C ATOM 818 CG1 ILE A 54 8.292 3.300 8.060 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.465 0.985 9.084 1.00 0.00 C ATOM 820 CD1 ILE A 54 8.646 2.955 6.612 1.00 0.00 C ATOM 0 H ILE A 54 8.540 1.261 11.436 1.00 0.00 H new ATOM 0 HA ILE A 54 9.944 3.695 10.437 1.00 0.00 H new ATOM 0 HB ILE A 54 10.071 2.314 8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.218 3.188 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.535 4.344 8.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.448 0.566 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.082 0.358 9.728 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.450 1.022 9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.095 3.610 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.716 3.091 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.379 1.918 6.409 1.00 0.00 H new ATOM 832 N SER A 55 7.895 5.112 10.334 1.00 0.00 N ATOM 833 CA SER A 55 6.792 6.026 10.579 1.00 0.00 C ATOM 834 C SER A 55 5.811 5.989 9.406 1.00 0.00 C ATOM 835 O SER A 55 5.724 6.943 8.634 1.00 0.00 O ATOM 836 CB SER A 55 7.299 7.452 10.803 1.00 0.00 C ATOM 837 OG SER A 55 7.359 7.786 12.187 1.00 0.00 O ATOM 0 H SER A 55 8.674 5.513 9.812 1.00 0.00 H new ATOM 0 HA SER A 55 6.277 5.706 11.485 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.290 7.558 10.361 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.644 8.155 10.289 1.00 0.00 H new ATOM 0 HG SER A 55 7.689 8.703 12.288 1.00 0.00 H new ATOM 843 N TRP A 56 5.096 4.877 9.309 1.00 0.00 N ATOM 844 CA TRP A 56 4.124 4.704 8.243 1.00 0.00 C ATOM 845 C TRP A 56 2.910 5.578 8.563 1.00 0.00 C ATOM 846 O TRP A 56 2.320 6.179 7.666 1.00 0.00 O ATOM 847 CB TRP A 56 3.766 3.227 8.063 1.00 0.00 C ATOM 848 CG TRP A 56 4.745 2.453 7.177 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.664 1.554 7.554 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.865 2.547 5.742 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.365 1.063 6.471 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.863 1.686 5.334 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.153 3.333 4.819 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.241 1.529 3.995 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.542 3.165 3.485 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.545 2.303 3.058 1.00 0.00 C ATOM 0 H TRP A 56 5.171 4.088 9.951 1.00 0.00 H new ATOM 0 HA TRP A 56 4.539 5.022 7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.725 2.752 9.043 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.767 3.156 7.632 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.835 1.252 8.577 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.113 0.371 6.500 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.368 4.013 5.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.026 0.848 3.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.026 3.746 2.735 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.787 2.230 2.008 1.00 0.00 H new ATOM 867 N SER A 57 2.574 5.623 9.843 1.00 0.00 N ATOM 868 CA SER A 57 1.441 6.414 10.292 1.00 0.00 C ATOM 869 C SER A 57 1.396 7.741 9.533 1.00 0.00 C ATOM 870 O SER A 57 0.434 8.020 8.819 1.00 0.00 O ATOM 871 CB SER A 57 1.508 6.666 11.800 1.00 0.00 C ATOM 872 OG SER A 57 0.459 6.004 12.500 1.00 0.00 O ATOM 0 H SER A 57 3.066 5.124 10.584 1.00 0.00 H new ATOM 0 HA SER A 57 0.529 5.854 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.470 6.325 12.182 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.451 7.738 11.991 1.00 0.00 H new ATOM 0 HG SER A 57 0.538 6.189 13.459 1.00 0.00 H new ATOM 878 N TYR A 58 2.449 8.525 9.714 1.00 0.00 N ATOM 879 CA TYR A 58 2.542 9.817 9.055 1.00 0.00 C ATOM 880 C TYR A 58 2.243 9.692 7.559 1.00 0.00 C ATOM 881 O TYR A 58 1.393 10.408 7.031 1.00 0.00 O ATOM 882 CB TYR A 58 3.989 10.280 9.237 1.00 0.00 C ATOM 883 CG TYR A 58 4.286 11.649 8.622 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.679 12.780 9.129 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.160 11.753 7.559 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.959 14.069 8.550 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.440 13.042 6.980 1.00 0.00 C ATOM 888 CZ TYR A 58 4.826 14.136 7.504 1.00 0.00 C ATOM 889 OH TYR A 58 5.090 15.353 6.958 1.00 0.00 O ATOM 0 H TYR A 58 3.245 8.290 10.307 1.00 0.00 H new ATOM 0 HA TYR A 58 1.823 10.517 9.479 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.217 10.314 10.302 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.655 9.541 8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.994 12.699 9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.634 10.868 7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.491 14.962 8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.122 13.137 6.148 1.00 0.00 H new ATOM 0 HH TYR A 58 5.727 15.249 6.220 1.00 0.00 H new ATOM 899 N VAL A 59 2.958 8.779 6.920 1.00 0.00 N ATOM 900 CA VAL A 59 2.780 8.551 5.496 1.00 0.00 C ATOM 901 C VAL A 59 1.286 8.441 5.184 1.00 0.00 C ATOM 902 O VAL A 59 0.766 9.182 4.351 1.00 0.00 O ATOM 903 CB VAL A 59 3.575 7.318 5.059 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.256 6.946 3.610 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.076 7.537 5.252 1.00 0.00 C ATOM 0 H VAL A 59 3.662 8.188 7.362 1.00 0.00 H new ATOM 0 HA VAL A 59 3.171 9.392 4.923 1.00 0.00 H new ATOM 0 HB VAL A 59 3.275 6.483 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.834 6.067 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.192 6.727 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.514 7.778 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.618 6.646 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.399 8.390 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.283 7.731 6.304 1.00 0.00 H new ATOM 915 N TRP A 60 0.638 7.511 5.870 1.00 0.00 N ATOM 916 CA TRP A 60 -0.785 7.294 5.676 1.00 0.00 C ATOM 917 C TRP A 60 -1.522 8.551 6.141 1.00 0.00 C ATOM 918 O TRP A 60 -2.607 8.857 5.649 1.00 0.00 O ATOM 919 CB TRP A 60 -1.250 6.027 6.398 1.00 0.00 C ATOM 920 CG TRP A 60 -0.567 4.748 5.911 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.139 3.864 6.631 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.552 4.241 4.560 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.604 2.829 5.846 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.171 3.066 4.547 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.132 4.758 3.388 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.382 2.309 3.388 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.911 3.990 2.239 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.185 2.805 2.208 1.00 0.00 C ATOM 0 H TRP A 60 1.073 6.899 6.561 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.010 7.128 4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.065 6.141 7.466 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.327 5.923 6.270 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.321 3.951 7.692 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.163 2.036 6.161 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.703 5.675 3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.952 1.392 3.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.335 4.343 1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.059 2.270 1.278 1.00 0.00 H new ATOM 939 N ARG A 61 -0.903 9.247 7.084 1.00 0.00 N ATOM 940 CA ARG A 61 -1.487 10.464 7.621 1.00 0.00 C ATOM 941 C ARG A 61 -1.041 11.674 6.798 1.00 0.00 C ATOM 942 O ARG A 61 -0.755 12.735 7.352 1.00 0.00 O ATOM 943 CB ARG A 61 -1.082 10.672 9.082 1.00 0.00 C ATOM 944 CG ARG A 61 -2.201 11.358 9.869 1.00 0.00 C ATOM 945 CD ARG A 61 -1.657 12.533 10.683 1.00 0.00 C ATOM 946 NE ARG A 61 -2.048 12.389 12.103 1.00 0.00 N ATOM 947 CZ ARG A 61 -1.698 11.353 12.878 1.00 0.00 C ATOM 948 NH1 ARG A 61 -0.947 10.364 12.374 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.098 11.307 14.156 1.00 0.00 N ATOM 0 H ARG A 61 -0.003 8.991 7.490 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.571 10.363 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.848 9.710 9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.176 11.276 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.970 11.712 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.676 10.638 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.571 12.573 10.599 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.042 13.472 10.285 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.620 13.125 12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.642 10.400 11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.680 9.575 12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.669 12.060 14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.832 10.519 14.746 1.00 0.00 H new ATOM 963 N THR A 62 -0.995 11.476 5.489 1.00 0.00 N ATOM 964 CA THR A 62 -0.588 12.538 4.585 1.00 0.00 C ATOM 965 C THR A 62 -1.086 12.251 3.167 1.00 0.00 C ATOM 966 O THR A 62 -1.589 13.145 2.489 1.00 0.00 O ATOM 967 CB THR A 62 0.933 12.681 4.677 1.00 0.00 C ATOM 968 OG1 THR A 62 1.144 13.345 5.920 1.00 0.00 O ATOM 969 CG2 THR A 62 1.494 13.650 3.635 1.00 0.00 C ATOM 0 H THR A 62 -1.233 10.595 5.033 1.00 0.00 H new ATOM 0 HA THR A 62 -1.036 13.491 4.867 1.00 0.00 H new ATOM 0 HB THR A 62 1.398 11.704 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.279 13.550 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.577 13.715 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.251 13.290 2.635 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.055 14.637 3.782 1.00 0.00 H new ATOM 977 N TYR A 63 -0.930 10.999 2.761 1.00 0.00 N ATOM 978 CA TYR A 63 -1.358 10.583 1.436 1.00 0.00 C ATOM 979 C TYR A 63 -2.476 9.543 1.523 1.00 0.00 C ATOM 980 O TYR A 63 -2.559 8.795 2.496 1.00 0.00 O ATOM 981 CB TYR A 63 -0.133 9.944 0.779 1.00 0.00 C ATOM 982 CG TYR A 63 1.005 10.927 0.496 1.00 0.00 C ATOM 983 CD1 TYR A 63 1.912 11.238 1.489 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.125 11.504 -0.753 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.983 12.163 1.223 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.196 12.429 -1.019 1.00 0.00 C ATOM 987 CZ TYR A 63 3.072 12.713 -0.018 1.00 0.00 C ATOM 988 OH TYR A 63 4.083 13.586 -0.269 1.00 0.00 O ATOM 0 H TYR A 63 -0.513 10.259 3.326 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.740 11.433 0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.240 9.149 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.438 9.477 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.818 10.787 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.416 11.261 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.699 12.414 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.301 12.887 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 63 4.023 13.898 -1.196 1.00 0.00 H new ATOM 998 N HIS A 64 -3.309 9.528 0.492 1.00 0.00 N ATOM 999 CA HIS A 64 -4.418 8.592 0.440 1.00 0.00 C ATOM 1000 C HIS A 64 -4.252 7.666 -0.767 1.00 0.00 C ATOM 1001 O HIS A 64 -3.371 7.878 -1.599 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.756 9.334 0.438 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.130 9.930 1.774 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.877 9.247 2.717 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.851 11.151 2.315 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -7.036 10.030 3.773 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.399 11.210 3.522 1.00 0.00 N ATOM 0 H HIS A 64 -3.237 10.150 -0.314 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.415 7.970 1.335 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.717 10.130 -0.305 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.541 8.645 0.126 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.243 8.300 2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.281 11.936 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.575 9.779 4.674 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.113 6.661 -0.824 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.072 5.702 -1.915 1.00 0.00 C ATOM 1017 C LEU A 65 -6.305 5.893 -2.802 1.00 0.00 C ATOM 1018 O LEU A 65 -7.425 5.980 -2.303 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.919 4.280 -1.374 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.625 3.988 -0.612 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.587 2.536 -0.131 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.399 4.344 -1.456 1.00 0.00 C ATOM 0 H LEU A 65 -5.843 6.490 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.197 5.875 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.761 4.071 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.989 3.585 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.601 4.622 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.657 2.355 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.432 2.350 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.645 1.867 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.493 4.127 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.405 3.755 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.425 5.405 -1.706 1.00 0.00 H new ATOM 1034 N THR A 66 -6.055 5.952 -4.102 1.00 0.00 N ATOM 1035 CA THR A 66 -7.131 6.131 -5.063 1.00 0.00 C ATOM 1036 C THR A 66 -7.214 4.925 -6.001 1.00 0.00 C ATOM 1037 O THR A 66 -6.250 4.174 -6.139 1.00 0.00 O ATOM 1038 CB THR A 66 -6.896 7.455 -5.794 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.590 7.297 -7.028 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.436 7.644 -6.209 1.00 0.00 C ATOM 0 H THR A 66 -5.124 5.879 -4.512 1.00 0.00 H new ATOM 0 HA THR A 66 -8.100 6.184 -4.567 1.00 0.00 H new ATOM 0 HB THR A 66 -7.201 8.283 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.556 7.292 -6.862 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.325 8.599 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.802 7.633 -5.323 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.140 6.835 -6.877 1.00 0.00 H new ATOM 1048 N SER A 67 -8.375 4.778 -6.621 1.00 0.00 N ATOM 1049 CA SER A 67 -8.597 3.676 -7.542 1.00 0.00 C ATOM 1050 C SER A 67 -9.831 3.954 -8.403 1.00 0.00 C ATOM 1051 O SER A 67 -10.905 4.243 -7.878 1.00 0.00 O ATOM 1052 CB SER A 67 -8.760 2.354 -6.790 1.00 0.00 C ATOM 1053 OG SER A 67 -9.227 2.551 -5.458 1.00 0.00 O ATOM 0 H SER A 67 -9.172 5.403 -6.504 1.00 0.00 H new ATOM 0 HA SER A 67 -7.724 3.589 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.460 1.715 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.804 1.831 -6.765 1.00 0.00 H new ATOM 0 HG SER A 67 -10.090 3.015 -5.479 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.637 3.855 -9.710 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.721 4.092 -10.647 1.00 0.00 C ATOM 1061 C ALA A 68 -10.911 5.599 -10.830 1.00 0.00 C ATOM 1062 O ALA A 68 -10.920 6.095 -11.956 1.00 0.00 O ATOM 1063 CB ALA A 68 -11.990 3.400 -10.146 1.00 0.00 C ATOM 0 H ALA A 68 -8.745 3.614 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.484 3.669 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.803 3.578 -10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.811 2.328 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.261 3.800 -9.169 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.059 6.285 -9.707 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.249 7.726 -9.729 1.00 0.00 C ATOM 1071 C GLY A 69 -11.573 8.257 -8.331 1.00 0.00 C ATOM 1072 O GLY A 69 -11.224 9.388 -7.997 1.00 0.00 O ATOM 0 H GLY A 69 -11.051 5.870 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.348 8.210 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.057 7.980 -10.415 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.238 7.416 -7.552 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.613 7.787 -6.199 1.00 0.00 C ATOM 1078 C GLU A 70 -11.388 7.765 -5.283 1.00 0.00 C ATOM 1079 O GLU A 70 -10.326 7.281 -5.672 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.714 6.869 -5.664 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.100 7.397 -6.042 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.905 6.334 -6.793 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.814 5.157 -6.380 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.592 6.722 -7.762 1.00 0.00 O ATOM 0 H GLU A 70 -12.527 6.479 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.009 8.802 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.582 5.864 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.633 6.792 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.637 7.697 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.997 8.287 -6.663 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.576 8.295 -4.083 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.499 8.342 -3.109 1.00 0.00 C ATOM 1093 C LYS A 71 -10.766 7.311 -2.010 1.00 0.00 C ATOM 1094 O LYS A 71 -11.759 7.409 -1.291 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.313 9.767 -2.583 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.428 10.788 -3.717 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.927 12.163 -3.269 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.984 12.768 -4.310 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.700 13.759 -5.145 1.00 0.00 N ATOM 0 H LYS A 71 -12.458 8.695 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.551 8.073 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.063 9.978 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.338 9.858 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.850 10.449 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.466 10.863 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.775 12.829 -3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.410 12.072 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.141 13.246 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.576 11.979 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.045 14.160 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.490 13.293 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.069 14.521 -4.540 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.862 6.347 -1.915 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.987 5.300 -0.916 1.00 0.00 C ATOM 1115 C LEU A 72 -9.695 5.883 0.468 1.00 0.00 C ATOM 1116 O LEU A 72 -8.550 6.207 0.780 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.103 4.105 -1.279 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.103 3.693 -2.753 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.173 2.502 -2.989 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.525 3.417 -3.245 1.00 0.00 C ATOM 0 H LEU A 72 -9.040 6.269 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.007 4.917 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.078 4.334 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.421 3.249 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.715 4.525 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.192 2.229 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.157 2.771 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.507 1.655 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.497 3.126 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.963 2.611 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.130 4.317 -3.134 1.00 0.00 H new ATOM 1132 N THR A 73 -10.750 5.998 1.261 1.00 0.00 N ATOM 1133 CA THR A 73 -10.621 6.537 2.605 1.00 0.00 C ATOM 1134 C THR A 73 -11.255 5.588 3.623 1.00 0.00 C ATOM 1135 O THR A 73 -10.667 5.307 4.666 1.00 0.00 O ATOM 1136 CB THR A 73 -11.236 7.937 2.614 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.576 7.731 2.176 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.631 8.850 1.544 1.00 0.00 C ATOM 0 H THR A 73 -11.698 5.727 0.999 1.00 0.00 H new ATOM 0 HA THR A 73 -9.575 6.625 2.897 1.00 0.00 H new ATOM 0 HB THR A 73 -11.097 8.387 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.049 8.589 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.103 9.831 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.560 8.953 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.799 8.416 0.558 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.448 5.120 3.285 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.169 4.208 4.156 1.00 0.00 C ATOM 1148 C GLU A 74 -12.402 2.892 4.299 1.00 0.00 C ATOM 1149 O GLU A 74 -12.157 2.202 3.311 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.588 3.962 3.640 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.607 4.795 4.419 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.176 5.919 3.551 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.789 5.582 2.516 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -15.985 7.091 3.943 1.00 0.00 O ATOM 0 H GLU A 74 -12.933 5.356 2.419 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.251 4.667 5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.642 4.213 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.833 2.904 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.417 4.153 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.134 5.219 5.305 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.044 2.584 5.537 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.309 1.363 5.822 1.00 0.00 C ATOM 1163 C ASP A 75 -12.298 0.212 6.016 1.00 0.00 C ATOM 1164 O ASP A 75 -12.023 -0.921 5.622 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.488 1.501 7.105 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.176 2.940 7.522 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.583 3.657 6.687 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -10.538 3.291 8.666 1.00 0.00 O ATOM 0 H ASP A 75 -12.249 3.159 6.354 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.639 1.169 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.026 1.012 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.548 0.964 6.977 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.429 0.541 6.622 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.461 -0.451 6.872 1.00 0.00 C ATOM 1175 C ARG A 76 -15.074 -0.924 5.553 1.00 0.00 C ATOM 1176 O ARG A 76 -15.711 -1.975 5.502 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.565 0.116 7.766 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.252 -0.125 9.244 1.00 0.00 C ATOM 1179 CD ARG A 76 -15.509 -1.584 9.629 1.00 0.00 C ATOM 1180 NE ARG A 76 -14.234 -2.335 9.643 1.00 0.00 N ATOM 1181 CZ ARG A 76 -14.148 -3.670 9.570 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -15.262 -4.409 9.479 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -12.948 -4.267 9.590 1.00 0.00 N ATOM 0 H ARG A 76 -13.654 1.481 6.947 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.994 -1.294 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.673 1.185 7.583 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.518 -0.348 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.211 0.130 9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.866 0.531 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.980 -1.632 10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.201 -2.039 8.921 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.366 -1.803 9.713 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.175 -3.955 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.197 -5.425 9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.100 -3.705 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.883 -5.283 9.534 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.860 -0.125 4.518 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.384 -0.449 3.202 1.00 0.00 C ATOM 1199 C LYS A 77 -14.367 -1.309 2.450 1.00 0.00 C ATOM 1200 O LYS A 77 -13.209 -0.920 2.300 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.783 0.826 2.456 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.317 0.500 1.060 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.072 1.693 0.469 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.318 1.232 -0.289 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.379 2.262 -0.218 1.00 0.00 N ATOM 0 H LYS A 77 -14.331 0.746 4.564 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.297 -1.038 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.544 1.361 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.921 1.488 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.490 0.228 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.979 -0.364 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.360 2.377 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.416 2.246 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.065 1.034 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.683 0.296 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.218 1.933 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.632 2.432 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.033 3.146 -0.643 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.835 -2.462 1.996 1.00 0.00 N ATOM 1220 CA LYS A 78 -13.980 -3.381 1.264 1.00 0.00 C ATOM 1221 C LYS A 78 -13.603 -2.757 -0.081 1.00 0.00 C ATOM 1222 O LYS A 78 -14.275 -1.842 -0.556 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.649 -4.752 1.139 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.084 -5.275 2.509 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.610 -5.298 2.628 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.067 -6.381 3.607 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.341 -5.991 4.253 1.00 0.00 N ATOM 0 H LYS A 78 -15.796 -2.781 2.121 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.052 -3.553 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.515 -4.680 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.957 -5.458 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.689 -6.279 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.664 -4.645 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.967 -4.325 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.052 -5.478 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.194 -7.326 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.301 -6.540 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.637 -6.737 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.208 -5.100 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.074 -5.862 3.526 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.529 -3.276 -0.658 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.054 -2.781 -1.939 1.00 0.00 C ATOM 1243 C LEU A 79 -13.059 -3.157 -3.030 1.00 0.00 C ATOM 1244 O LEU A 79 -13.265 -2.398 -3.976 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.634 -3.279 -2.213 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.613 -3.041 -1.098 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.346 -3.868 -1.329 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.304 -1.550 -0.947 1.00 0.00 C ATOM 0 H LEU A 79 -11.974 -4.035 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.988 -1.693 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.678 -4.349 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.270 -2.797 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.050 -3.377 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.637 -3.680 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.602 -4.927 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.896 -3.586 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.576 -1.408 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.896 -1.166 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.220 -1.012 -0.703 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.657 -4.327 -2.862 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.635 -4.812 -3.820 1.00 0.00 C ATOM 1262 C ARG A 80 -15.822 -3.850 -3.901 1.00 0.00 C ATOM 1263 O ARG A 80 -16.315 -3.557 -4.990 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.141 -6.204 -3.435 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.568 -6.994 -4.673 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.884 -7.735 -4.423 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.147 -8.686 -5.526 1.00 0.00 N ATOM 1268 CZ ARG A 80 -16.427 -9.794 -5.750 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -15.397 -10.097 -4.949 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -16.738 -10.599 -6.775 1.00 0.00 N ATOM 0 H ARG A 80 -13.483 -4.954 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.145 -4.872 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.357 -6.746 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.984 -6.112 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.683 -6.317 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.789 -7.708 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.835 -8.270 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.704 -7.021 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.925 -8.486 -6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.161 -9.484 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.849 -10.940 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.523 -10.368 -7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.190 -11.442 -6.946 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.246 -3.384 -2.736 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.365 -2.461 -2.661 1.00 0.00 C ATOM 1286 C ASP A 81 -17.085 -1.253 -3.557 1.00 0.00 C ATOM 1287 O ASP A 81 -18.011 -0.641 -4.087 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.566 -1.953 -1.232 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.393 -2.871 -0.329 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.364 -3.458 -0.854 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -18.036 -2.965 0.865 1.00 0.00 O ATOM 0 H ASP A 81 -15.834 -3.629 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.261 -2.991 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.588 -1.804 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -18.050 -0.977 -1.274 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.804 -0.947 -3.700 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.391 0.177 -4.523 1.00 0.00 C ATOM 1298 C TYR A 82 -15.256 -0.238 -5.990 1.00 0.00 C ATOM 1299 O TYR A 82 -14.859 0.566 -6.832 1.00 0.00 O ATOM 1300 CB TYR A 82 -14.018 0.602 -3.998 1.00 0.00 C ATOM 1301 CG TYR A 82 -14.071 1.716 -2.949 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -14.211 3.030 -3.345 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.979 1.405 -1.608 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.261 4.078 -2.359 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -14.028 2.453 -0.621 1.00 0.00 C ATOM 1306 CZ TYR A 82 -14.167 3.738 -1.046 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.214 4.727 -0.114 1.00 0.00 O ATOM 0 H TYR A 82 -15.039 -1.458 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 82 -16.126 0.981 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.521 -0.266 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.407 0.935 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.283 3.273 -4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.870 0.376 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.371 5.111 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.956 2.224 0.432 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.762 5.467 -0.450 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.594 -1.492 -6.250 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.515 -2.024 -7.600 1.00 0.00 C ATOM 1319 C GLY A 83 -14.099 -2.507 -7.918 1.00 0.00 C ATOM 1320 O GLY A 83 -13.790 -2.825 -9.065 1.00 0.00 O ATOM 0 H GLY A 83 -15.923 -2.155 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.218 -2.850 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.810 -1.256 -8.315 1.00 0.00 H new ATOM 1324 N ILE A 84 -13.275 -2.548 -6.880 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.899 -2.988 -7.034 1.00 0.00 C ATOM 1326 C ILE A 84 -11.857 -4.517 -7.070 1.00 0.00 C ATOM 1327 O ILE A 84 -12.595 -5.178 -6.341 1.00 0.00 O ATOM 1328 CB ILE A 84 -11.016 -2.374 -5.946 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -11.178 -0.853 -5.901 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.554 -2.789 -6.127 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.336 -0.245 -4.778 1.00 0.00 C ATOM 0 H ILE A 84 -13.534 -2.284 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.490 -2.636 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.344 -2.762 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.880 -0.423 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -12.228 -0.600 -5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.948 -2.339 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.474 -3.875 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.197 -2.449 -7.099 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.469 0.837 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.653 -0.658 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.285 -0.479 -4.944 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.987 -5.033 -7.925 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.840 -6.472 -8.065 1.00 0.00 C ATOM 1345 C ARG A 85 -9.359 -6.856 -8.073 1.00 0.00 C ATOM 1346 O ARG A 85 -8.495 -6.015 -7.828 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.495 -6.970 -9.355 1.00 0.00 C ATOM 1348 CG ARG A 85 -12.979 -6.598 -9.395 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.765 -7.366 -8.330 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.177 -7.512 -8.750 1.00 0.00 N ATOM 1351 CZ ARG A 85 -15.581 -8.275 -9.775 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.683 -8.966 -10.491 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -16.882 -8.347 -10.085 1.00 0.00 N ATOM 0 H ARG A 85 -10.377 -4.481 -8.528 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.336 -6.940 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.985 -6.539 -10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.385 -8.052 -9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.093 -5.526 -9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.386 -6.818 -10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.319 -8.349 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.713 -6.839 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.887 -7.000 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.692 -8.911 -10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.991 -9.547 -11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.566 -7.821 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.189 -8.928 -10.865 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.111 -8.126 -8.356 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.749 -8.631 -8.399 1.00 0.00 C ATOM 1369 C ASN A 86 -7.078 -8.167 -9.693 1.00 0.00 C ATOM 1370 O ASN A 86 -7.728 -8.068 -10.733 1.00 0.00 O ATOM 1371 CB ASN A 86 -7.728 -10.161 -8.378 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.324 -10.694 -8.670 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.331 -10.224 -8.140 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.298 -11.699 -9.541 1.00 0.00 N ATOM 0 H ASN A 86 -9.830 -8.821 -8.558 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.221 -8.251 -7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.062 -10.520 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.429 -10.548 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.409 -12.124 -9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.167 -12.044 -9.947 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.786 -7.894 -9.587 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.019 -7.442 -10.736 1.00 0.00 C ATOM 1383 C ARG A 87 -5.413 -6.011 -11.107 1.00 0.00 C ATOM 1384 O ARG A 87 -5.365 -5.634 -12.277 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.245 -8.356 -11.942 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.965 -9.109 -12.307 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.774 -9.162 -13.825 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.739 -10.162 -14.170 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.626 -10.742 -15.372 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -3.484 -10.426 -16.352 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.656 -11.639 -15.595 1.00 0.00 N ATOM 0 H ARG A 87 -5.250 -7.977 -8.723 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.964 -7.473 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.039 -9.069 -11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.578 -7.764 -12.794 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.107 -8.620 -11.846 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.008 -10.122 -11.907 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.716 -9.419 -14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.482 -8.180 -14.198 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.070 -10.426 -13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.223 -9.744 -16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.398 -10.868 -17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.003 -11.880 -14.849 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.570 -12.080 -16.510 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.793 -5.253 -10.089 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.195 -3.872 -10.294 1.00 0.00 C ATOM 1407 C ASP A 88 -4.974 -2.962 -10.141 1.00 0.00 C ATOM 1408 O ASP A 88 -3.867 -3.439 -9.898 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.238 -3.442 -9.261 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.105 -2.251 -9.673 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.940 -2.445 -10.583 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -7.914 -1.174 -9.069 1.00 0.00 O ATOM 0 H ASP A 88 -5.831 -5.569 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.623 -3.790 -11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.889 -4.290 -9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.726 -3.195 -8.331 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.218 -1.668 -10.287 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.153 -0.687 -10.168 1.00 0.00 C ATOM 1419 C GLU A 89 -4.606 0.484 -9.293 1.00 0.00 C ATOM 1420 O GLU A 89 -5.533 1.208 -9.651 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.699 -0.200 -11.545 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.001 -1.320 -12.320 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.754 -0.909 -13.773 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -3.713 -1.027 -14.567 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -1.613 -0.486 -14.057 1.00 0.00 O ATOM 0 H GLU A 89 -6.138 -1.276 -10.487 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.298 -1.164 -9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.560 0.157 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.020 0.645 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.053 -1.563 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.612 -2.222 -12.292 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.929 0.634 -8.164 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.250 1.705 -7.236 1.00 0.00 C ATOM 1434 C VAL A 90 -3.193 2.805 -7.348 1.00 0.00 C ATOM 1435 O VAL A 90 -2.045 2.534 -7.697 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.384 1.146 -5.818 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.135 2.236 -4.773 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.751 0.491 -5.613 1.00 0.00 C ATOM 0 H VAL A 90 -3.160 0.032 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.212 2.152 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.622 0.377 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.236 1.812 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.129 2.636 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.862 3.037 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.819 0.102 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.536 1.230 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.873 -0.327 -6.323 1.00 0.00 H new ATOM 1448 N SER A 91 -3.617 4.023 -7.045 1.00 0.00 N ATOM 1449 CA SER A 91 -2.721 5.165 -7.108 1.00 0.00 C ATOM 1450 C SER A 91 -2.702 5.889 -5.760 1.00 0.00 C ATOM 1451 O SER A 91 -3.603 5.710 -4.942 1.00 0.00 O ATOM 1452 CB SER A 91 -3.134 6.128 -8.222 1.00 0.00 C ATOM 1453 OG SER A 91 -4.212 5.615 -9.000 1.00 0.00 O ATOM 0 H SER A 91 -4.570 4.244 -6.755 1.00 0.00 H new ATOM 0 HA SER A 91 -1.718 4.802 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.425 7.084 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.279 6.321 -8.870 1.00 0.00 H new ATOM 0 HG SER A 91 -4.447 6.260 -9.699 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.665 6.691 -5.571 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.516 7.443 -4.336 1.00 0.00 C ATOM 1461 C PHE A 92 -1.827 8.925 -4.556 1.00 0.00 C ATOM 1462 O PHE A 92 -1.650 9.444 -5.657 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.057 7.300 -3.898 1.00 0.00 C ATOM 1464 CG PHE A 92 0.142 6.389 -2.685 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.227 6.815 -1.447 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.687 5.154 -2.845 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.042 5.970 -0.321 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.872 4.308 -1.719 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.504 4.734 -0.481 1.00 0.00 C ATOM 0 H PHE A 92 -0.920 6.837 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.206 7.062 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.526 6.909 -4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.341 8.288 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.661 7.796 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.979 4.816 -3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.335 6.308 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.305 3.327 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.645 4.091 0.375 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.286 9.565 -3.490 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.623 10.977 -3.552 1.00 0.00 C ATOM 1481 C ILE A 93 -2.072 11.684 -2.313 1.00 0.00 C ATOM 1482 O ILE A 93 -1.763 11.039 -1.312 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.130 11.159 -3.745 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.451 12.565 -4.258 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -4.891 10.831 -2.459 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.449 12.511 -5.417 1.00 0.00 C ATOM 0 H ILE A 93 -2.432 9.131 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.155 11.443 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.465 10.454 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.862 13.167 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.534 13.055 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.960 10.968 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.698 9.796 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.559 11.494 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.660 13.523 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.025 11.929 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.374 12.043 -5.079 1.00 0.00 H new ATOM 1498 N LYS A 94 -1.965 13.000 -2.420 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.456 13.802 -1.320 1.00 0.00 C ATOM 1500 C LYS A 94 -2.556 14.746 -0.831 1.00 0.00 C ATOM 1501 O LYS A 94 -3.235 15.383 -1.635 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.168 14.518 -1.731 1.00 0.00 C ATOM 1503 CG LYS A 94 0.540 15.114 -0.512 1.00 0.00 C ATOM 1504 CD LYS A 94 0.782 16.614 -0.697 1.00 0.00 C ATOM 1505 CE LYS A 94 1.281 17.253 0.600 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.871 18.583 0.329 1.00 0.00 N ATOM 0 H LYS A 94 -2.222 13.531 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.185 13.166 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.497 13.817 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.399 15.309 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.063 14.947 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.491 14.605 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.513 16.773 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.142 17.099 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.455 17.352 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.024 16.607 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.205 19.003 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.672 18.480 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.152 19.202 -0.097 1.00 0.00 H new ATOM 1520 N LYS A 95 -2.698 14.807 0.485 1.00 0.00 N ATOM 1521 CA LYS A 95 -3.704 15.663 1.091 1.00 0.00 C ATOM 1522 C LYS A 95 -3.604 17.065 0.488 1.00 0.00 C ATOM 1523 O LYS A 95 -2.629 17.385 -0.191 1.00 0.00 O ATOM 1524 CB LYS A 95 -3.580 15.638 2.615 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.120 14.326 3.188 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.259 14.587 4.176 1.00 0.00 C ATOM 1527 CE LYS A 95 -5.103 13.728 5.432 1.00 0.00 C ATOM 1528 NZ LYS A 95 -6.126 14.090 6.438 1.00 0.00 N ATOM 0 H LYS A 95 -2.133 14.277 1.149 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.705 15.292 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.535 15.761 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.128 16.478 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.476 13.690 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.316 13.785 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.272 15.642 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.215 14.371 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.197 12.674 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.107 13.865 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.006 13.497 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.018 15.091 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.074 13.936 6.040 1.00 0.00 H new ATOM 1542 N LEU A 96 -4.625 17.865 0.758 1.00 0.00 N ATOM 1543 CA LEU A 96 -4.664 19.226 0.250 1.00 0.00 C ATOM 1544 C LEU A 96 -4.706 20.203 1.427 1.00 0.00 C ATOM 1545 O LEU A 96 -5.462 20.005 2.377 1.00 0.00 O ATOM 1546 CB LEU A 96 -5.824 19.398 -0.733 1.00 0.00 C ATOM 1547 CG LEU A 96 -5.758 20.629 -1.639 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -5.724 20.223 -3.114 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -6.905 21.595 -1.337 1.00 0.00 C ATOM 0 H LEU A 96 -5.432 17.597 1.322 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.760 19.447 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.875 18.510 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.753 19.439 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.828 21.158 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.677 21.117 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.846 19.604 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.624 19.658 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.834 22.461 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.858 21.091 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.842 21.922 -0.299 1.00 0.00 H new ATOM 1561 N GLY A 97 -3.884 21.237 1.325 1.00 0.00 N ATOM 1562 CA GLY A 97 -3.817 22.246 2.369 1.00 0.00 C ATOM 1563 C GLY A 97 -2.373 22.685 2.615 1.00 0.00 C ATOM 1564 O GLY A 97 -1.660 23.041 1.678 1.00 0.00 O ATOM 0 H GLY A 97 -3.259 21.398 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.420 23.109 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.242 21.849 3.291 1.00 0.00 H new ATOM 1568 N GLN A 98 -1.984 22.647 3.881 1.00 0.00 N ATOM 1569 CA GLN A 98 -0.637 23.036 4.263 1.00 0.00 C ATOM 1570 C GLN A 98 0.373 22.537 3.227 1.00 0.00 C ATOM 1571 O GLN A 98 0.143 21.526 2.567 1.00 0.00 O ATOM 1572 CB GLN A 98 -0.291 22.519 5.660 1.00 0.00 C ATOM 1573 CG GLN A 98 -0.822 23.462 6.741 1.00 0.00 C ATOM 1574 CD GLN A 98 -0.387 23.000 8.134 1.00 0.00 C ATOM 1575 OE1 GLN A 98 0.701 23.292 8.601 1.00 0.00 O ATOM 1576 NE2 GLN A 98 -1.296 22.265 8.768 1.00 0.00 N ATOM 0 H GLN A 98 -2.578 22.353 4.656 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.589 24.125 4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.716 21.525 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.790 22.420 5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.457 24.473 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.910 23.503 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.188 22.058 8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.101 21.909 9.704 1.00 0.00 H new ATOM 1585 N LYS A 99 1.471 23.271 3.118 1.00 0.00 N ATOM 1586 CA LYS A 99 2.518 22.915 2.175 1.00 0.00 C ATOM 1587 C LYS A 99 3.733 23.815 2.405 1.00 0.00 C ATOM 1588 O LYS A 99 3.598 25.033 2.507 1.00 0.00 O ATOM 1589 CB LYS A 99 1.984 22.958 0.741 1.00 0.00 C ATOM 1590 CG LYS A 99 1.853 24.400 0.248 1.00 0.00 C ATOM 1591 CD LYS A 99 1.375 24.441 -1.205 1.00 0.00 C ATOM 1592 CE LYS A 99 1.826 25.731 -1.895 1.00 0.00 C ATOM 1593 NZ LYS A 99 0.664 26.605 -2.170 1.00 0.00 N ATOM 0 H LYS A 99 1.658 24.110 3.667 1.00 0.00 H new ATOM 0 HA LYS A 99 2.846 21.888 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.654 22.404 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.013 22.465 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.151 24.942 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.815 24.906 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.767 23.579 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.288 24.369 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.543 26.257 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.338 25.492 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.987 27.476 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.006 26.107 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.193 26.848 -1.275 1.00 0.00 H new ATOM 1607 N SER A 100 4.894 23.180 2.481 1.00 0.00 N ATOM 1608 CA SER A 100 6.132 23.908 2.697 1.00 0.00 C ATOM 1609 C SER A 100 7.277 23.228 1.944 1.00 0.00 C ATOM 1610 O SER A 100 7.345 22.001 1.885 1.00 0.00 O ATOM 1611 CB SER A 100 6.462 24.004 4.188 1.00 0.00 C ATOM 1612 OG SER A 100 6.955 25.293 4.544 1.00 0.00 O ATOM 0 H SER A 100 5.003 22.169 2.397 1.00 0.00 H new ATOM 0 HA SER A 100 6.004 24.921 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.568 23.784 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.205 23.248 4.444 1.00 0.00 H new ATOM 0 HG SER A 100 7.152 25.314 5.504 1.00 0.00 H new ATOM 1618 N GLY A 101 8.150 24.055 1.386 1.00 0.00 N ATOM 1619 CA GLY A 101 9.288 23.549 0.639 1.00 0.00 C ATOM 1620 C GLY A 101 10.481 24.502 0.745 1.00 0.00 C ATOM 1621 O GLY A 101 10.896 25.095 -0.249 1.00 0.00 O ATOM 0 H GLY A 101 8.091 25.072 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.568 22.566 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.012 23.420 -0.408 1.00 0.00 H new ATOM 1625 N PRO A 102 11.012 24.621 1.991 1.00 0.00 N ATOM 1626 CA PRO A 102 12.149 25.491 2.240 1.00 0.00 C ATOM 1627 C PRO A 102 13.442 24.869 1.710 1.00 0.00 C ATOM 1628 O PRO A 102 14.358 24.584 2.480 1.00 0.00 O ATOM 1629 CB PRO A 102 12.163 25.700 3.745 1.00 0.00 C ATOM 1630 CG PRO A 102 11.324 24.574 4.329 1.00 0.00 C ATOM 1631 CD PRO A 102 10.547 23.933 3.192 1.00 0.00 C ATOM 0 HA PRO A 102 12.070 26.446 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.181 25.671 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.749 26.673 4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.961 23.838 4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.642 24.960 5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.740 22.862 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.473 24.056 3.328 1.00 0.00 H new ATOM 1639 N SER A 103 13.476 24.677 0.400 1.00 0.00 N ATOM 1640 CA SER A 103 14.642 24.093 -0.242 1.00 0.00 C ATOM 1641 C SER A 103 14.974 22.746 0.403 1.00 0.00 C ATOM 1642 O SER A 103 15.547 22.698 1.490 1.00 0.00 O ATOM 1643 CB SER A 103 15.846 25.034 -0.156 1.00 0.00 C ATOM 1644 OG SER A 103 16.927 24.592 -0.972 1.00 0.00 O ATOM 0 H SER A 103 12.714 24.916 -0.235 1.00 0.00 H new ATOM 0 HA SER A 103 14.411 23.937 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.546 26.036 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.178 25.104 0.880 1.00 0.00 H new ATOM 0 HG SER A 103 17.676 25.219 -0.891 1.00 0.00 H new ATOM 1650 N SER A 104 14.599 21.684 -0.296 1.00 0.00 N ATOM 1651 CA SER A 104 14.851 20.339 0.195 1.00 0.00 C ATOM 1652 C SER A 104 13.952 20.045 1.397 1.00 0.00 C ATOM 1653 O SER A 104 13.127 19.133 1.351 1.00 0.00 O ATOM 1654 CB SER A 104 16.321 20.157 0.574 1.00 0.00 C ATOM 1655 OG SER A 104 16.687 18.782 0.648 1.00 0.00 O ATOM 0 H SER A 104 14.123 21.727 -1.197 1.00 0.00 H new ATOM 0 HA SER A 104 14.621 19.634 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.950 20.660 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.509 20.635 1.536 1.00 0.00 H new ATOM 0 HG SER A 104 17.634 18.708 0.891 1.00 0.00 H new ATOM 1661 N GLY A 105 14.141 20.833 2.445 1.00 0.00 N ATOM 1662 CA GLY A 105 13.358 20.668 3.657 1.00 0.00 C ATOM 1663 C GLY A 105 13.692 21.757 4.679 1.00 0.00 C ATOM 1664 O GLY A 105 14.611 22.547 4.471 1.00 0.00 O ATOM 0 H GLY A 105 14.826 21.588 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.296 20.705 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.553 19.687 4.089 1.00 0.00 H new TER 1668 GLY A 105