USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot 180:sc=0.000236 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= -0.565 USER MOD Single : A 1 MET CE :methyl -108:sc= -1.06 (180deg=-2.44) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0462 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -28:sc= -0.44 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -166:sc= -0.0358 (180deg=-0.365) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.902) USER MOD Single : A 53 ASN : amide:sc= -0.535 K(o=-0.53,f=-4!) USER MOD Single : A 54 CYS SG : rot -150:sc= -0.332 USER MOD Single : A 55 ASN : amide:sc= 0.727 K(o=0.73,f=-0.25) USER MOD Single : A 57 MET CE :methyl -152:sc= -0.101 (180deg=-0.7) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -127:sc= -3.46 (180deg=-8.4!) USER MOD Single : A 64 ASN : amide:sc= 1.07 K(o=1.1,f=-0.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.23) USER MOD Single : A 82 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-5.4!) USER MOD Single : A 91 HIS : no HD1:sc= 0.462 K(o=0.46,f=-3.6!) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc=-0.00586 (180deg=-0.116) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0.00434 K(o=0.0043,f=-0.74) USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.014 F(o=-1.9!,f=-0.014) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.407 -10.587 -4.074 1.00 0.00 N ATOM 2 CA MET A 1 -5.177 -9.518 -5.074 1.00 0.00 C ATOM 3 C MET A 1 -4.122 -8.545 -4.567 1.00 0.00 C ATOM 4 O MET A 1 -4.005 -8.316 -3.366 1.00 0.00 O ATOM 5 CB MET A 1 -6.481 -8.776 -5.376 1.00 0.00 C ATOM 6 CG MET A 1 -6.359 -7.764 -6.509 1.00 0.00 C ATOM 7 SD MET A 1 -7.938 -7.012 -6.953 1.00 0.00 S ATOM 8 CE MET A 1 -8.397 -6.254 -5.398 1.00 0.00 C ATOM 0 H1 MET A 1 -6.429 -10.754 -3.974 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.942 -11.462 -4.388 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.012 -10.295 -3.157 1.00 0.00 H new ATOM 0 HA MET A 1 -4.820 -9.976 -5.996 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.252 -9.503 -5.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.814 -8.261 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.659 -6.981 -6.216 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.938 -8.257 -7.385 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.221 -6.810 -4.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.543 -6.266 -4.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.707 -5.224 -5.573 1.00 0.00 H new ATOM 20 N LYS A 2 -3.358 -7.973 -5.484 1.00 0.00 N ATOM 21 CA LYS A 2 -2.251 -7.104 -5.123 1.00 0.00 C ATOM 22 C LYS A 2 -2.688 -5.661 -4.929 1.00 0.00 C ATOM 23 O LYS A 2 -3.677 -5.216 -5.507 1.00 0.00 O ATOM 24 CB LYS A 2 -1.171 -7.162 -6.199 1.00 0.00 C ATOM 25 CG LYS A 2 -0.085 -8.182 -5.913 1.00 0.00 C ATOM 26 CD LYS A 2 -0.632 -9.592 -5.772 1.00 0.00 C ATOM 27 CE LYS A 2 0.407 -10.518 -5.162 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.059 -11.927 -5.121 1.00 0.00 N ATOM 0 H LYS A 2 -3.486 -8.096 -6.488 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.858 -7.464 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.636 -7.397 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.716 -6.177 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.650 -8.160 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.437 -7.905 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.525 -9.579 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.932 -9.969 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.330 -10.458 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.641 -10.184 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.679 -12.525 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.925 -11.990 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.258 -12.255 -6.088 1.00 0.00 H new ATOM 42 N LEU A 3 -1.929 -4.944 -4.112 1.00 0.00 N ATOM 43 CA LEU A 3 -2.111 -3.512 -3.936 1.00 0.00 C ATOM 44 C LEU A 3 -1.782 -2.787 -5.241 1.00 0.00 C ATOM 45 O LEU A 3 -2.408 -1.790 -5.591 1.00 0.00 O ATOM 46 CB LEU A 3 -1.223 -3.030 -2.780 1.00 0.00 C ATOM 47 CG LEU A 3 -1.173 -1.520 -2.529 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.565 -0.923 -2.462 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.437 -1.235 -1.235 1.00 0.00 C ATOM 0 H LEU A 3 -1.172 -5.339 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.148 -3.290 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.564 -3.515 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.207 -3.377 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.644 -1.060 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.493 0.150 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.082 -1.099 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.122 -1.390 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.406 -0.159 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.955 -1.719 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.580 -1.621 -1.302 1.00 0.00 H new ATOM 61 N SER A 4 -0.817 -3.327 -5.982 1.00 0.00 N ATOM 62 CA SER A 4 -0.452 -2.778 -7.282 1.00 0.00 C ATOM 63 C SER A 4 -1.501 -3.144 -8.335 1.00 0.00 C ATOM 64 O SER A 4 -1.465 -2.647 -9.462 1.00 0.00 O ATOM 65 CB SER A 4 0.925 -3.293 -7.708 1.00 0.00 C ATOM 66 OG SER A 4 1.354 -2.684 -8.913 1.00 0.00 O ATOM 0 H SER A 4 -0.275 -4.144 -5.703 1.00 0.00 H new ATOM 0 HA SER A 4 -0.411 -1.692 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.650 -3.093 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.886 -4.374 -7.839 1.00 0.00 H new ATOM 0 HG SER A 4 0.573 -2.423 -9.444 1.00 0.00 H new ATOM 72 N GLU A 5 -2.435 -4.011 -7.959 1.00 0.00 N ATOM 73 CA GLU A 5 -3.502 -4.419 -8.861 1.00 0.00 C ATOM 74 C GLU A 5 -4.763 -3.612 -8.607 1.00 0.00 C ATOM 75 O GLU A 5 -5.795 -3.834 -9.245 1.00 0.00 O ATOM 76 CB GLU A 5 -3.795 -5.908 -8.723 1.00 0.00 C ATOM 77 CG GLU A 5 -2.826 -6.782 -9.495 1.00 0.00 C ATOM 78 CD GLU A 5 -2.814 -6.444 -10.970 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.821 -6.716 -11.653 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.809 -5.887 -11.450 1.00 0.00 O ATOM 0 H GLU A 5 -2.473 -4.444 -7.036 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.166 -4.227 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.761 -6.182 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.809 -6.106 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.823 -6.660 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.099 -7.829 -9.365 1.00 0.00 H new ATOM 87 N LEU A 6 -4.676 -2.685 -7.670 1.00 0.00 N ATOM 88 CA LEU A 6 -5.767 -1.753 -7.428 1.00 0.00 C ATOM 89 C LEU A 6 -5.744 -0.637 -8.461 1.00 0.00 C ATOM 90 O LEU A 6 -4.869 -0.596 -9.328 1.00 0.00 O ATOM 91 CB LEU A 6 -5.688 -1.158 -6.022 1.00 0.00 C ATOM 92 CG LEU A 6 -6.071 -2.109 -4.889 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.948 -1.410 -3.547 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.482 -2.632 -5.093 1.00 0.00 C ATOM 0 H LEU A 6 -3.865 -2.556 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.703 -2.306 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.671 -0.806 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.339 -0.285 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.385 -2.956 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.224 -2.101 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.919 -1.081 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.612 -0.546 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.741 -3.308 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.181 -1.796 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.538 -3.168 -6.041 1.00 0.00 H new ATOM 106 N LYS A 7 -6.710 0.262 -8.371 1.00 0.00 N ATOM 107 CA LYS A 7 -6.799 1.378 -9.296 1.00 0.00 C ATOM 108 C LYS A 7 -7.054 2.661 -8.521 1.00 0.00 C ATOM 109 O LYS A 7 -7.572 2.623 -7.401 1.00 0.00 O ATOM 110 CB LYS A 7 -7.911 1.140 -10.328 1.00 0.00 C ATOM 111 CG LYS A 7 -8.545 -0.244 -10.242 1.00 0.00 C ATOM 112 CD LYS A 7 -9.310 -0.603 -11.505 1.00 0.00 C ATOM 113 CE LYS A 7 -8.374 -0.756 -12.693 1.00 0.00 C ATOM 114 NZ LYS A 7 -9.080 -1.287 -13.886 1.00 0.00 N ATOM 0 H LYS A 7 -7.445 0.240 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.856 1.468 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.687 1.894 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.501 1.280 -11.328 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.768 -0.988 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.220 -0.280 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.858 -1.532 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.048 0.170 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.931 0.210 -12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.556 -1.425 -12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.409 -1.377 -14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.482 -2.220 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.845 -0.636 -14.155 1.00 0.00 H new ATOM 128 N ALA A 8 -6.683 3.790 -9.113 1.00 0.00 N ATOM 129 CA ALA A 8 -6.814 5.084 -8.456 1.00 0.00 C ATOM 130 C ALA A 8 -8.261 5.363 -8.070 1.00 0.00 C ATOM 131 O ALA A 8 -9.142 5.436 -8.930 1.00 0.00 O ATOM 132 CB ALA A 8 -6.279 6.186 -9.357 1.00 0.00 C ATOM 0 H ALA A 8 -6.287 3.835 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.224 5.061 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.382 7.148 -8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.227 6.000 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.844 6.200 -10.289 1.00 0.00 H new ATOM 138 N GLY A 9 -8.503 5.484 -6.774 1.00 0.00 N ATOM 139 CA GLY A 9 -9.833 5.773 -6.287 1.00 0.00 C ATOM 140 C GLY A 9 -10.321 4.733 -5.301 1.00 0.00 C ATOM 141 O GLY A 9 -11.056 5.051 -4.364 1.00 0.00 O ATOM 0 H GLY A 9 -7.795 5.386 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.838 6.753 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.523 5.824 -7.129 1.00 0.00 H new ATOM 145 N ASP A 10 -9.886 3.496 -5.496 1.00 0.00 N ATOM 146 CA ASP A 10 -10.402 2.368 -4.730 1.00 0.00 C ATOM 147 C ASP A 10 -9.850 2.325 -3.315 1.00 0.00 C ATOM 148 O ASP A 10 -8.744 2.797 -3.044 1.00 0.00 O ATOM 149 CB ASP A 10 -10.103 1.046 -5.442 1.00 0.00 C ATOM 150 CG ASP A 10 -10.978 0.848 -6.661 1.00 0.00 C ATOM 151 OD1 ASP A 10 -12.192 0.600 -6.487 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.468 0.962 -7.793 1.00 0.00 O ATOM 0 H ASP A 10 -9.173 3.246 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.481 2.508 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.055 1.024 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.254 0.219 -4.749 1.00 0.00 H new ATOM 157 N ARG A 11 -10.640 1.759 -2.416 1.00 0.00 N ATOM 158 CA ARG A 11 -10.222 1.570 -1.038 1.00 0.00 C ATOM 159 C ARG A 11 -10.111 0.086 -0.731 1.00 0.00 C ATOM 160 O ARG A 11 -10.927 -0.717 -1.193 1.00 0.00 O ATOM 161 CB ARG A 11 -11.203 2.229 -0.064 1.00 0.00 C ATOM 162 CG ARG A 11 -11.394 3.718 -0.292 1.00 0.00 C ATOM 163 CD ARG A 11 -12.025 4.385 0.918 1.00 0.00 C ATOM 164 NE ARG A 11 -11.191 4.238 2.110 1.00 0.00 N ATOM 165 CZ ARG A 11 -10.705 5.259 2.815 1.00 0.00 C ATOM 166 NH1 ARG A 11 -11.007 6.508 2.474 1.00 0.00 N ATOM 167 NH2 ARG A 11 -9.924 5.025 3.864 1.00 0.00 N ATOM 0 H ARG A 11 -11.581 1.421 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.248 2.044 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.170 1.732 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.849 2.070 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.431 4.182 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.024 3.876 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.181 5.444 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.006 3.949 1.104 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.967 3.293 2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.611 6.686 1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.634 7.289 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.698 4.066 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.550 5.804 4.406 1.00 0.00 H new ATOM 181 N ALA A 12 -9.108 -0.283 0.042 1.00 0.00 N ATOM 182 CA ALA A 12 -8.868 -1.683 0.334 1.00 0.00 C ATOM 183 C ALA A 12 -8.328 -1.875 1.740 1.00 0.00 C ATOM 184 O ALA A 12 -7.913 -0.921 2.401 1.00 0.00 O ATOM 185 CB ALA A 12 -7.909 -2.272 -0.686 1.00 0.00 C ATOM 0 H ALA A 12 -8.449 0.363 0.477 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.822 -2.207 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.736 -3.324 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.339 -2.184 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.963 -1.732 -0.650 1.00 0.00 H new ATOM 191 N GLU A 13 -8.358 -3.116 2.188 1.00 0.00 N ATOM 192 CA GLU A 13 -7.811 -3.496 3.473 1.00 0.00 C ATOM 193 C GLU A 13 -6.614 -4.405 3.256 1.00 0.00 C ATOM 194 O GLU A 13 -6.680 -5.345 2.463 1.00 0.00 O ATOM 195 CB GLU A 13 -8.873 -4.220 4.297 1.00 0.00 C ATOM 196 CG GLU A 13 -8.408 -4.638 5.679 1.00 0.00 C ATOM 197 CD GLU A 13 -9.439 -5.486 6.386 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.346 -4.921 7.030 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.354 -6.729 6.289 1.00 0.00 O ATOM 0 H GLU A 13 -8.765 -3.892 1.666 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.497 -2.603 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.743 -3.571 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.199 -5.106 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.475 -5.195 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.197 -3.750 6.275 1.00 0.00 H new ATOM 206 N VAL A 14 -5.518 -4.112 3.935 1.00 0.00 N ATOM 207 CA VAL A 14 -4.314 -4.915 3.813 1.00 0.00 C ATOM 208 C VAL A 14 -4.476 -6.235 4.552 1.00 0.00 C ATOM 209 O VAL A 14 -4.699 -6.258 5.766 1.00 0.00 O ATOM 210 CB VAL A 14 -3.077 -4.175 4.363 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.829 -5.031 4.208 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.901 -2.836 3.665 1.00 0.00 C ATOM 0 H VAL A 14 -5.437 -3.323 4.577 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.161 -5.104 2.751 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.233 -3.988 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.967 -4.492 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.956 -5.963 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.668 -5.252 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.024 -2.329 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.769 -2.998 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.784 -2.220 3.832 1.00 0.00 H new ATOM 222 N THR A 15 -4.383 -7.329 3.816 1.00 0.00 N ATOM 223 CA THR A 15 -4.498 -8.649 4.404 1.00 0.00 C ATOM 224 C THR A 15 -3.120 -9.225 4.709 1.00 0.00 C ATOM 225 O THR A 15 -2.942 -9.939 5.693 1.00 0.00 O ATOM 226 CB THR A 15 -5.264 -9.605 3.472 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.680 -9.585 2.161 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.730 -9.211 3.387 1.00 0.00 C ATOM 0 H THR A 15 -4.228 -7.327 2.808 1.00 0.00 H new ATOM 0 HA THR A 15 -5.056 -8.548 5.335 1.00 0.00 H new ATOM 0 HB THR A 15 -5.197 -10.613 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.172 -10.197 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.254 -9.899 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.177 -9.254 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.812 -8.197 2.996 1.00 0.00 H new ATOM 236 N SER A 16 -2.146 -8.899 3.865 1.00 0.00 N ATOM 237 CA SER A 16 -0.782 -9.374 4.046 1.00 0.00 C ATOM 238 C SER A 16 0.195 -8.534 3.229 1.00 0.00 C ATOM 239 O SER A 16 -0.151 -8.028 2.163 1.00 0.00 O ATOM 240 CB SER A 16 -0.688 -10.853 3.654 1.00 0.00 C ATOM 241 OG SER A 16 -1.364 -11.097 2.431 1.00 0.00 O ATOM 0 H SER A 16 -2.279 -8.305 3.046 1.00 0.00 H new ATOM 0 HA SER A 16 -0.512 -9.273 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.359 -11.142 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.120 -11.470 4.442 1.00 0.00 H new ATOM 0 HG SER A 16 -1.289 -12.046 2.200 1.00 0.00 H new ATOM 247 N VAL A 17 1.405 -8.367 3.742 1.00 0.00 N ATOM 248 CA VAL A 17 2.425 -7.578 3.063 1.00 0.00 C ATOM 249 C VAL A 17 3.649 -8.433 2.769 1.00 0.00 C ATOM 250 O VAL A 17 4.265 -8.969 3.683 1.00 0.00 O ATOM 251 CB VAL A 17 2.862 -6.364 3.915 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.908 -5.532 3.185 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.666 -5.505 4.294 1.00 0.00 C ATOM 0 H VAL A 17 1.706 -8.769 4.630 1.00 0.00 H new ATOM 0 HA VAL A 17 1.987 -7.218 2.132 1.00 0.00 H new ATOM 0 HB VAL A 17 3.311 -6.747 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.198 -4.685 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.784 -6.147 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.492 -5.167 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.001 -4.658 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.179 -5.140 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.959 -6.100 4.872 1.00 0.00 H new ATOM 263 N ALA A 18 3.985 -8.583 1.496 1.00 0.00 N ATOM 264 CA ALA A 18 5.204 -9.284 1.117 1.00 0.00 C ATOM 265 C ALA A 18 6.263 -8.285 0.666 1.00 0.00 C ATOM 266 O ALA A 18 6.183 -7.729 -0.427 1.00 0.00 O ATOM 267 CB ALA A 18 4.925 -10.303 0.023 1.00 0.00 C ATOM 0 H ALA A 18 3.435 -8.231 0.712 1.00 0.00 H new ATOM 0 HA ALA A 18 5.579 -9.822 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.850 -10.814 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.198 -11.032 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.526 -9.795 -0.855 1.00 0.00 H new ATOM 273 N ALA A 19 7.244 -8.045 1.518 1.00 0.00 N ATOM 274 CA ALA A 19 8.306 -7.101 1.208 1.00 0.00 C ATOM 275 C ALA A 19 9.565 -7.449 1.970 1.00 0.00 C ATOM 276 O ALA A 19 9.553 -8.331 2.832 1.00 0.00 O ATOM 277 CB ALA A 19 7.879 -5.677 1.546 1.00 0.00 C ATOM 0 H ALA A 19 7.328 -8.491 2.431 1.00 0.00 H new ATOM 0 HA ALA A 19 8.508 -7.163 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.689 -4.988 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.995 -5.415 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.648 -5.609 2.609 1.00 0.00 H new ATOM 283 N GLU A 20 10.642 -6.753 1.645 1.00 0.00 N ATOM 284 CA GLU A 20 11.899 -6.897 2.357 1.00 0.00 C ATOM 285 C GLU A 20 11.663 -6.575 3.835 1.00 0.00 C ATOM 286 O GLU A 20 10.884 -5.677 4.148 1.00 0.00 O ATOM 287 CB GLU A 20 12.915 -5.935 1.729 1.00 0.00 C ATOM 288 CG GLU A 20 14.373 -6.299 1.950 1.00 0.00 C ATOM 289 CD GLU A 20 14.920 -5.722 3.230 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.387 -4.695 3.687 1.00 0.00 O ATOM 291 OE2 GLU A 20 15.882 -6.293 3.786 1.00 0.00 O ATOM 0 H GLU A 20 10.669 -6.075 0.883 1.00 0.00 H new ATOM 0 HA GLU A 20 12.287 -7.913 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.728 -5.885 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.742 -4.936 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.475 -7.384 1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.966 -5.939 1.109 1.00 0.00 H new ATOM 298 N PRO A 21 12.311 -7.308 4.758 1.00 0.00 N ATOM 299 CA PRO A 21 12.085 -7.161 6.202 1.00 0.00 C ATOM 300 C PRO A 21 12.188 -5.718 6.689 1.00 0.00 C ATOM 301 O PRO A 21 11.355 -5.265 7.478 1.00 0.00 O ATOM 302 CB PRO A 21 13.174 -8.024 6.848 1.00 0.00 C ATOM 303 CG PRO A 21 14.090 -8.427 5.742 1.00 0.00 C ATOM 304 CD PRO A 21 13.294 -8.357 4.473 1.00 0.00 C ATOM 0 HA PRO A 21 11.073 -7.467 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.711 -7.465 7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.741 -8.898 7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.953 -7.763 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.472 -9.435 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.920 -8.102 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.814 -9.309 4.245 1.00 0.00 H new ATOM 312 N ALA A 22 13.187 -4.993 6.208 1.00 0.00 N ATOM 313 CA ALA A 22 13.385 -3.611 6.619 1.00 0.00 C ATOM 314 C ALA A 22 12.292 -2.721 6.051 1.00 0.00 C ATOM 315 O ALA A 22 11.722 -1.894 6.761 1.00 0.00 O ATOM 316 CB ALA A 22 14.748 -3.107 6.178 1.00 0.00 C ATOM 0 H ALA A 22 13.871 -5.337 5.535 1.00 0.00 H new ATOM 0 HA ALA A 22 13.336 -3.574 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.874 -2.072 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.527 -3.722 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.823 -3.164 5.092 1.00 0.00 H new ATOM 322 N VAL A 23 11.980 -2.913 4.775 1.00 0.00 N ATOM 323 CA VAL A 23 10.978 -2.094 4.118 1.00 0.00 C ATOM 324 C VAL A 23 9.602 -2.372 4.717 1.00 0.00 C ATOM 325 O VAL A 23 8.817 -1.457 4.961 1.00 0.00 O ATOM 326 CB VAL A 23 10.958 -2.356 2.600 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.894 -1.507 1.918 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.329 -2.089 1.995 1.00 0.00 C ATOM 0 H VAL A 23 12.405 -3.625 4.181 1.00 0.00 H new ATOM 0 HA VAL A 23 11.234 -1.047 4.278 1.00 0.00 H new ATOM 0 HB VAL A 23 10.709 -3.405 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.899 -1.709 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.915 -1.752 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.106 -0.452 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.297 -2.279 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.608 -1.050 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.065 -2.746 2.458 1.00 0.00 H new ATOM 338 N ARG A 24 9.346 -3.646 4.987 1.00 0.00 N ATOM 339 CA ARG A 24 8.105 -4.080 5.615 1.00 0.00 C ATOM 340 C ARG A 24 7.967 -3.439 6.993 1.00 0.00 C ATOM 341 O ARG A 24 6.882 -3.007 7.387 1.00 0.00 O ATOM 342 CB ARG A 24 8.102 -5.607 5.744 1.00 0.00 C ATOM 343 CG ARG A 24 6.743 -6.202 6.077 1.00 0.00 C ATOM 344 CD ARG A 24 6.837 -7.698 6.347 1.00 0.00 C ATOM 345 NE ARG A 24 7.540 -8.416 5.281 1.00 0.00 N ATOM 346 CZ ARG A 24 7.206 -9.636 4.852 1.00 0.00 C ATOM 347 NH1 ARG A 24 6.172 -10.279 5.382 1.00 0.00 N ATOM 348 NH2 ARG A 24 7.914 -10.213 3.888 1.00 0.00 N ATOM 0 H ARG A 24 9.992 -4.407 4.777 1.00 0.00 H new ATOM 0 HA ARG A 24 7.262 -3.771 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.456 -6.040 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.812 -5.896 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.329 -5.699 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.055 -6.023 5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.353 -7.862 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.833 -8.108 6.457 1.00 0.00 H new ATOM 0 HE ARG A 24 8.335 -7.955 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.625 -9.841 6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.925 -11.210 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.710 -9.725 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.662 -11.145 3.558 1.00 0.00 H new ATOM 362 N ARG A 25 9.086 -3.364 7.707 1.00 0.00 N ATOM 363 CA ARG A 25 9.129 -2.762 9.032 1.00 0.00 C ATOM 364 C ARG A 25 8.774 -1.284 8.955 1.00 0.00 C ATOM 365 O ARG A 25 8.043 -0.771 9.795 1.00 0.00 O ATOM 366 CB ARG A 25 10.524 -2.927 9.642 1.00 0.00 C ATOM 367 CG ARG A 25 10.624 -2.461 11.087 1.00 0.00 C ATOM 368 CD ARG A 25 9.896 -3.407 12.028 1.00 0.00 C ATOM 369 NE ARG A 25 10.497 -4.741 12.023 1.00 0.00 N ATOM 370 CZ ARG A 25 9.965 -5.805 12.623 1.00 0.00 C ATOM 371 NH1 ARG A 25 8.810 -5.702 13.273 1.00 0.00 N ATOM 372 NH2 ARG A 25 10.589 -6.978 12.562 1.00 0.00 N ATOM 0 H ARG A 25 9.986 -3.718 7.383 1.00 0.00 H new ATOM 0 HA ARG A 25 8.400 -3.268 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.811 -3.977 9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.241 -2.369 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.673 -2.393 11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.203 -1.460 11.178 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.917 -3.002 13.040 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.849 -3.478 11.735 1.00 0.00 H new ATOM 0 HE ARG A 25 11.380 -4.864 11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.326 -4.805 13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.408 -6.520 13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.471 -7.061 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.185 -7.795 13.020 1.00 0.00 H new ATOM 386 N ARG A 26 9.290 -0.612 7.933 1.00 0.00 N ATOM 387 CA ARG A 26 9.041 0.814 7.754 1.00 0.00 C ATOM 388 C ARG A 26 7.597 1.064 7.337 1.00 0.00 C ATOM 389 O ARG A 26 6.971 2.025 7.787 1.00 0.00 O ATOM 390 CB ARG A 26 9.993 1.406 6.717 1.00 0.00 C ATOM 391 CG ARG A 26 11.458 1.207 7.056 1.00 0.00 C ATOM 392 CD ARG A 26 12.357 1.955 6.091 1.00 0.00 C ATOM 393 NE ARG A 26 12.259 3.404 6.264 1.00 0.00 N ATOM 394 CZ ARG A 26 12.902 4.294 5.512 1.00 0.00 C ATOM 395 NH1 ARG A 26 13.652 3.890 4.490 1.00 0.00 N ATOM 396 NH2 ARG A 26 12.772 5.589 5.773 1.00 0.00 N ATOM 0 H ARG A 26 9.883 -1.030 7.216 1.00 0.00 H new ATOM 0 HA ARG A 26 9.218 1.305 8.711 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.788 0.953 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.793 2.473 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.647 1.551 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.698 0.144 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.390 1.641 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.089 1.693 5.068 1.00 0.00 H new ATOM 0 HE ARG A 26 11.659 3.755 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.736 2.895 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.143 4.575 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.182 5.897 6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.262 6.276 5.201 1.00 0.00 H new ATOM 410 N LEU A 27 7.070 0.197 6.479 1.00 0.00 N ATOM 411 CA LEU A 27 5.674 0.282 6.072 1.00 0.00 C ATOM 412 C LEU A 27 4.770 0.129 7.287 1.00 0.00 C ATOM 413 O LEU A 27 3.836 0.910 7.486 1.00 0.00 O ATOM 414 CB LEU A 27 5.343 -0.790 5.029 1.00 0.00 C ATOM 415 CG LEU A 27 6.074 -0.650 3.690 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.719 -1.808 2.769 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.739 0.682 3.035 1.00 0.00 C ATOM 0 H LEU A 27 7.588 -0.571 6.053 1.00 0.00 H new ATOM 0 HA LEU A 27 5.505 1.260 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.576 -1.768 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.269 -0.772 4.842 1.00 0.00 H new ATOM 0 HG LEU A 27 7.148 -0.676 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.246 -1.694 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.012 -2.748 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.644 -1.812 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.267 0.763 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.665 0.741 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.044 1.497 3.691 1.00 0.00 H new ATOM 429 N MET A 28 5.071 -0.861 8.120 1.00 0.00 N ATOM 430 CA MET A 28 4.291 -1.088 9.330 1.00 0.00 C ATOM 431 C MET A 28 4.540 0.019 10.349 1.00 0.00 C ATOM 432 O MET A 28 3.672 0.331 11.164 1.00 0.00 O ATOM 433 CB MET A 28 4.608 -2.452 9.944 1.00 0.00 C ATOM 434 CG MET A 28 4.221 -3.628 9.057 1.00 0.00 C ATOM 435 SD MET A 28 4.120 -5.179 9.969 1.00 0.00 S ATOM 436 CE MET A 28 5.718 -5.201 10.764 1.00 0.00 C ATOM 0 H MET A 28 5.842 -1.514 7.981 1.00 0.00 H new ATOM 0 HA MET A 28 3.237 -1.076 9.051 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.676 -2.505 10.157 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.088 -2.541 10.898 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.259 -3.423 8.588 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.952 -3.729 8.255 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.914 -6.197 11.160 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.489 -4.941 10.038 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.729 -4.478 11.579 1.00 0.00 H new ATOM 446 N ASP A 29 5.721 0.619 10.280 1.00 0.00 N ATOM 447 CA ASP A 29 6.079 1.732 11.155 1.00 0.00 C ATOM 448 C ASP A 29 5.211 2.947 10.843 1.00 0.00 C ATOM 449 O ASP A 29 4.797 3.678 11.743 1.00 0.00 O ATOM 450 CB ASP A 29 7.564 2.073 10.994 1.00 0.00 C ATOM 451 CG ASP A 29 7.999 3.249 11.841 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.970 3.143 13.082 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.371 4.293 11.265 1.00 0.00 O ATOM 0 H ASP A 29 6.454 0.352 9.622 1.00 0.00 H new ATOM 0 HA ASP A 29 5.902 1.439 12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.162 1.201 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.769 2.292 9.946 1.00 0.00 H new ATOM 458 N LEU A 30 4.930 3.145 9.561 1.00 0.00 N ATOM 459 CA LEU A 30 4.032 4.207 9.129 1.00 0.00 C ATOM 460 C LEU A 30 2.615 3.913 9.599 1.00 0.00 C ATOM 461 O LEU A 30 1.944 4.771 10.170 1.00 0.00 O ATOM 462 CB LEU A 30 4.055 4.338 7.602 1.00 0.00 C ATOM 463 CG LEU A 30 5.405 4.733 6.992 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.341 4.663 5.472 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.806 6.131 7.443 1.00 0.00 C ATOM 0 H LEU A 30 5.312 2.582 8.801 1.00 0.00 H new ATOM 0 HA LEU A 30 4.368 5.146 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.745 3.387 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.312 5.080 7.307 1.00 0.00 H new ATOM 0 HG LEU A 30 6.160 4.029 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.307 4.946 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.097 3.646 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.574 5.346 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.767 6.395 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.050 6.848 7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.889 6.153 8.530 1.00 0.00 H new ATOM 477 N GLY A 31 2.176 2.686 9.367 1.00 0.00 N ATOM 478 CA GLY A 31 0.848 2.286 9.772 1.00 0.00 C ATOM 479 C GLY A 31 0.221 1.318 8.793 1.00 0.00 C ATOM 480 O GLY A 31 -0.990 1.090 8.821 1.00 0.00 O ATOM 0 H GLY A 31 2.719 1.958 8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.894 1.824 10.758 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.216 3.169 9.863 1.00 0.00 H new ATOM 484 N LEU A 32 1.046 0.751 7.920 1.00 0.00 N ATOM 485 CA LEU A 32 0.577 -0.208 6.937 1.00 0.00 C ATOM 486 C LEU A 32 0.840 -1.622 7.447 1.00 0.00 C ATOM 487 O LEU A 32 1.908 -2.191 7.220 1.00 0.00 O ATOM 488 CB LEU A 32 1.275 0.036 5.589 1.00 0.00 C ATOM 489 CG LEU A 32 0.535 -0.465 4.342 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.181 0.104 3.090 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.530 -1.983 4.272 1.00 0.00 C ATOM 0 H LEU A 32 2.047 0.943 7.876 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.496 -0.087 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.444 1.107 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.255 -0.440 5.620 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.498 -0.125 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.649 -0.257 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.136 1.193 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.222 -0.215 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.002 -2.304 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.556 -2.349 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.033 -2.386 5.154 1.00 0.00 H new ATOM 503 N VAL A 33 -0.127 -2.159 8.174 1.00 0.00 N ATOM 504 CA VAL A 33 -0.017 -3.497 8.741 1.00 0.00 C ATOM 505 C VAL A 33 -1.213 -4.348 8.321 1.00 0.00 C ATOM 506 O VAL A 33 -2.067 -3.896 7.555 1.00 0.00 O ATOM 507 CB VAL A 33 0.057 -3.454 10.288 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.264 -2.660 10.760 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.216 -2.868 10.878 1.00 0.00 C ATOM 0 H VAL A 33 -1.005 -1.685 8.388 1.00 0.00 H new ATOM 0 HA VAL A 33 0.904 -3.938 8.361 1.00 0.00 H new ATOM 0 HB VAL A 33 0.163 -4.481 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.288 -2.648 11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.175 -3.124 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.196 -1.638 10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.138 -2.849 11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.355 -1.853 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.068 -3.481 10.586 1.00 0.00 H new ATOM 519 N ARG A 34 -1.278 -5.572 8.825 1.00 0.00 N ATOM 520 CA ARG A 34 -2.415 -6.440 8.562 1.00 0.00 C ATOM 521 C ARG A 34 -3.662 -5.883 9.246 1.00 0.00 C ATOM 522 O ARG A 34 -3.734 -5.817 10.475 1.00 0.00 O ATOM 523 CB ARG A 34 -2.126 -7.865 9.043 1.00 0.00 C ATOM 524 CG ARG A 34 -3.351 -8.765 9.063 1.00 0.00 C ATOM 525 CD ARG A 34 -2.989 -10.189 9.454 1.00 0.00 C ATOM 526 NE ARG A 34 -2.474 -10.955 8.321 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.234 -11.437 8.232 1.00 0.00 C ATOM 528 NH1 ARG A 34 -0.349 -11.207 9.196 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.885 -12.154 7.173 1.00 0.00 N ATOM 0 H ARG A 34 -0.558 -5.985 9.417 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.591 -6.475 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.370 -8.310 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.702 -7.821 10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.084 -8.369 9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.820 -8.765 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.241 -10.168 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.869 -10.688 9.859 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.109 -11.134 7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.616 -10.658 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.597 -11.580 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.563 -12.334 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.062 -12.526 7.098 1.00 0.00 H new ATOM 543 N GLY A 35 -4.632 -5.481 8.443 1.00 0.00 N ATOM 544 CA GLY A 35 -5.838 -4.875 8.975 1.00 0.00 C ATOM 545 C GLY A 35 -5.893 -3.380 8.723 1.00 0.00 C ATOM 546 O GLY A 35 -6.868 -2.718 9.081 1.00 0.00 O ATOM 0 H GLY A 35 -4.608 -5.563 7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.709 -5.349 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.893 -5.062 10.047 1.00 0.00 H new ATOM 550 N ALA A 36 -4.846 -2.848 8.105 1.00 0.00 N ATOM 551 CA ALA A 36 -4.800 -1.431 7.769 1.00 0.00 C ATOM 552 C ALA A 36 -5.701 -1.138 6.577 1.00 0.00 C ATOM 553 O ALA A 36 -5.715 -1.884 5.597 1.00 0.00 O ATOM 554 CB ALA A 36 -3.373 -0.993 7.475 1.00 0.00 C ATOM 0 H ALA A 36 -4.019 -3.376 7.827 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.162 -0.865 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.362 0.068 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.751 -1.167 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.982 -1.566 6.634 1.00 0.00 H new ATOM 560 N LYS A 37 -6.455 -0.054 6.669 1.00 0.00 N ATOM 561 CA LYS A 37 -7.377 0.330 5.610 1.00 0.00 C ATOM 562 C LYS A 37 -6.840 1.549 4.872 1.00 0.00 C ATOM 563 O LYS A 37 -6.481 2.549 5.494 1.00 0.00 O ATOM 564 CB LYS A 37 -8.759 0.622 6.201 1.00 0.00 C ATOM 565 CG LYS A 37 -9.336 -0.553 6.977 1.00 0.00 C ATOM 566 CD LYS A 37 -10.679 -0.220 7.610 1.00 0.00 C ATOM 567 CE LYS A 37 -11.205 -1.395 8.422 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.518 -1.111 9.060 1.00 0.00 N ATOM 0 H LYS A 37 -6.447 0.578 7.469 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.471 -0.491 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.690 1.487 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.443 0.889 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.453 -1.406 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.634 -0.852 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.575 0.654 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.397 0.040 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.302 -2.265 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.479 -1.652 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.829 -1.944 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.424 -0.298 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.221 -0.892 8.325 1.00 0.00 H new ATOM 582 N LEU A 38 -6.775 1.466 3.551 1.00 0.00 N ATOM 583 CA LEU A 38 -6.197 2.540 2.760 1.00 0.00 C ATOM 584 C LEU A 38 -7.046 2.856 1.533 1.00 0.00 C ATOM 585 O LEU A 38 -7.865 2.046 1.100 1.00 0.00 O ATOM 586 CB LEU A 38 -4.768 2.189 2.319 1.00 0.00 C ATOM 587 CG LEU A 38 -4.639 1.024 1.330 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.303 1.093 0.609 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.772 -0.313 2.040 1.00 0.00 C ATOM 0 H LEU A 38 -7.113 0.671 3.008 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.169 3.424 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.320 3.074 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.182 1.953 3.207 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.446 1.109 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.223 0.261 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.232 2.034 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.493 1.034 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.677 -1.121 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.988 -0.405 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.747 -0.373 2.524 1.00 0.00 H new ATOM 601 N LYS A 39 -6.837 4.046 0.989 1.00 0.00 N ATOM 602 CA LYS A 39 -7.481 4.471 -0.243 1.00 0.00 C ATOM 603 C LYS A 39 -6.421 4.834 -1.270 1.00 0.00 C ATOM 604 O LYS A 39 -5.558 5.671 -1.006 1.00 0.00 O ATOM 605 CB LYS A 39 -8.383 5.685 0.007 1.00 0.00 C ATOM 606 CG LYS A 39 -9.007 6.253 -1.262 1.00 0.00 C ATOM 607 CD LYS A 39 -9.735 7.562 -0.993 1.00 0.00 C ATOM 608 CE LYS A 39 -10.286 8.180 -2.273 1.00 0.00 C ATOM 609 NZ LYS A 39 -11.389 7.377 -2.864 1.00 0.00 N ATOM 0 H LYS A 39 -6.214 4.746 1.392 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.094 3.650 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.178 5.401 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.800 6.466 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.230 6.415 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.705 5.528 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.553 7.386 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.053 8.265 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.647 9.186 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.481 8.277 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.937 7.969 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.991 6.566 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.013 7.033 -2.106 1.00 0.00 H new ATOM 623 N VAL A 40 -6.476 4.205 -2.429 1.00 0.00 N ATOM 624 CA VAL A 40 -5.550 4.522 -3.502 1.00 0.00 C ATOM 625 C VAL A 40 -5.891 5.887 -4.086 1.00 0.00 C ATOM 626 O VAL A 40 -6.985 6.088 -4.608 1.00 0.00 O ATOM 627 CB VAL A 40 -5.589 3.457 -4.618 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.606 3.798 -5.728 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.302 2.080 -4.046 1.00 0.00 C ATOM 0 H VAL A 40 -7.150 3.473 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.543 4.536 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.590 3.448 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.652 3.033 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.864 4.766 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.596 3.840 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.333 1.340 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.314 2.076 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.053 1.834 -3.295 1.00 0.00 H new ATOM 639 N LEU A 41 -4.964 6.824 -3.977 1.00 0.00 N ATOM 640 CA LEU A 41 -5.193 8.175 -4.467 1.00 0.00 C ATOM 641 C LEU A 41 -4.906 8.253 -5.957 1.00 0.00 C ATOM 642 O LEU A 41 -5.802 8.516 -6.762 1.00 0.00 O ATOM 643 CB LEU A 41 -4.310 9.175 -3.719 1.00 0.00 C ATOM 644 CG LEU A 41 -4.438 9.152 -2.196 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.452 10.123 -1.570 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.861 9.484 -1.766 1.00 0.00 C ATOM 0 H LEU A 41 -4.047 6.676 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.239 8.428 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.270 8.983 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.548 10.179 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.206 8.146 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.554 10.096 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.437 9.839 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.657 11.132 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.927 9.461 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.127 10.478 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.549 8.750 -2.187 1.00 0.00 H new ATOM 658 N ARG A 42 -3.656 7.997 -6.324 1.00 0.00 N ATOM 659 CA ARG A 42 -3.227 8.132 -7.704 1.00 0.00 C ATOM 660 C ARG A 42 -1.928 7.377 -7.948 1.00 0.00 C ATOM 661 O ARG A 42 -1.129 7.175 -7.032 1.00 0.00 O ATOM 662 CB ARG A 42 -3.038 9.612 -8.050 1.00 0.00 C ATOM 663 CG ARG A 42 -4.071 10.160 -9.022 1.00 0.00 C ATOM 664 CD ARG A 42 -3.875 9.577 -10.408 1.00 0.00 C ATOM 665 NE ARG A 42 -4.883 10.040 -11.357 1.00 0.00 N ATOM 666 CZ ARG A 42 -4.601 10.671 -12.494 1.00 0.00 C ATOM 667 NH1 ARG A 42 -3.353 11.021 -12.783 1.00 0.00 N ATOM 668 NH2 ARG A 42 -5.577 10.977 -13.335 1.00 0.00 N ATOM 0 H ARG A 42 -2.924 7.695 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.999 7.704 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.074 10.196 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.044 9.750 -8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.073 9.926 -8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.994 11.246 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.884 9.846 -10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.909 8.489 -10.349 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.864 9.869 -11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.599 10.806 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.148 11.504 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.540 10.729 -13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.365 11.461 -14.208 1.00 0.00 H new ATOM 682 N PHE A 43 -1.741 6.950 -9.182 1.00 0.00 N ATOM 683 CA PHE A 43 -0.492 6.342 -9.607 1.00 0.00 C ATOM 684 C PHE A 43 0.280 7.339 -10.454 1.00 0.00 C ATOM 685 O PHE A 43 -0.309 8.249 -11.044 1.00 0.00 O ATOM 686 CB PHE A 43 -0.745 5.076 -10.437 1.00 0.00 C ATOM 687 CG PHE A 43 -1.431 3.957 -9.699 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.814 3.897 -9.628 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.692 2.951 -9.099 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.444 2.862 -8.964 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.318 1.911 -8.435 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.695 1.867 -8.371 1.00 0.00 C ATOM 0 H PHE A 43 -2.446 7.014 -9.916 1.00 0.00 H new ATOM 0 HA PHE A 43 0.077 6.066 -8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.349 5.343 -11.304 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.210 4.710 -10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.406 4.669 -10.097 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.386 2.979 -9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.522 2.832 -8.909 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.730 1.135 -7.968 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.186 1.054 -7.857 1.00 0.00 H new ATOM 702 N ALA A 44 1.590 7.183 -10.508 1.00 0.00 N ATOM 703 CA ALA A 44 2.403 7.973 -11.416 1.00 0.00 C ATOM 704 C ALA A 44 2.188 7.474 -12.844 1.00 0.00 C ATOM 705 O ALA A 44 1.640 6.389 -13.033 1.00 0.00 O ATOM 706 CB ALA A 44 3.869 7.888 -11.021 1.00 0.00 C ATOM 0 H ALA A 44 2.113 6.519 -9.936 1.00 0.00 H new ATOM 0 HA ALA A 44 2.105 9.020 -11.360 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.467 8.485 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.995 8.269 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.197 6.849 -11.062 1.00 0.00 H new ATOM 712 N PRO A 45 2.606 8.245 -13.867 1.00 0.00 N ATOM 713 CA PRO A 45 2.421 7.865 -15.277 1.00 0.00 C ATOM 714 C PRO A 45 2.877 6.437 -15.576 1.00 0.00 C ATOM 715 O PRO A 45 2.291 5.749 -16.408 1.00 0.00 O ATOM 716 CB PRO A 45 3.302 8.861 -16.029 1.00 0.00 C ATOM 717 CG PRO A 45 3.352 10.060 -15.152 1.00 0.00 C ATOM 718 CD PRO A 45 3.276 9.556 -13.738 1.00 0.00 C ATOM 0 HA PRO A 45 1.369 7.890 -15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.299 8.455 -16.202 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.882 9.102 -17.005 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.272 10.622 -15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.524 10.734 -15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.267 9.457 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.708 10.235 -13.101 1.00 0.00 H new ATOM 726 N LEU A 46 3.913 5.997 -14.876 1.00 0.00 N ATOM 727 CA LEU A 46 4.503 4.687 -15.120 1.00 0.00 C ATOM 728 C LEU A 46 3.929 3.635 -14.172 1.00 0.00 C ATOM 729 O LEU A 46 4.318 2.467 -14.213 1.00 0.00 O ATOM 730 CB LEU A 46 6.019 4.774 -14.943 1.00 0.00 C ATOM 731 CG LEU A 46 6.703 5.868 -15.766 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.174 5.966 -15.403 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.540 5.600 -17.255 1.00 0.00 C ATOM 0 H LEU A 46 4.364 6.529 -14.132 1.00 0.00 H new ATOM 0 HA LEU A 46 4.265 4.385 -16.140 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.238 4.943 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.457 3.812 -15.209 1.00 0.00 H new ATOM 0 HG LEU A 46 6.225 6.820 -15.534 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.644 6.749 -15.998 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.272 6.206 -14.344 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.663 5.013 -15.606 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.033 6.389 -17.823 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.990 4.639 -17.503 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.480 5.580 -17.507 1.00 0.00 H new ATOM 745 N GLY A 47 3.001 4.050 -13.317 1.00 0.00 N ATOM 746 CA GLY A 47 2.448 3.146 -12.322 1.00 0.00 C ATOM 747 C GLY A 47 3.289 3.112 -11.062 1.00 0.00 C ATOM 748 O GLY A 47 2.976 2.401 -10.111 1.00 0.00 O ATOM 0 H GLY A 47 2.621 4.996 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.433 3.456 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.380 2.142 -12.741 1.00 0.00 H new ATOM 752 N ASP A 48 4.359 3.890 -11.072 1.00 0.00 N ATOM 753 CA ASP A 48 5.286 3.967 -9.950 1.00 0.00 C ATOM 754 C ASP A 48 5.939 5.346 -9.921 1.00 0.00 C ATOM 755 O ASP A 48 6.394 5.830 -10.958 1.00 0.00 O ATOM 756 CB ASP A 48 6.357 2.875 -10.075 1.00 0.00 C ATOM 757 CG ASP A 48 7.467 3.015 -9.051 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.210 2.797 -7.851 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.605 3.346 -9.444 1.00 0.00 O ATOM 0 H ASP A 48 4.612 4.488 -11.859 1.00 0.00 H new ATOM 0 HA ASP A 48 4.739 3.811 -9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.887 1.898 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.787 2.908 -11.076 1.00 0.00 H new ATOM 764 N PRO A 49 5.983 6.011 -8.752 1.00 0.00 N ATOM 765 CA PRO A 49 5.456 5.472 -7.490 1.00 0.00 C ATOM 766 C PRO A 49 3.931 5.577 -7.370 1.00 0.00 C ATOM 767 O PRO A 49 3.232 5.916 -8.330 1.00 0.00 O ATOM 768 CB PRO A 49 6.131 6.352 -6.440 1.00 0.00 C ATOM 769 CG PRO A 49 6.325 7.661 -7.117 1.00 0.00 C ATOM 770 CD PRO A 49 6.575 7.350 -8.569 1.00 0.00 C ATOM 0 HA PRO A 49 5.661 4.406 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.510 6.454 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.082 5.927 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.445 8.294 -7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.166 8.202 -6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.107 8.087 -9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.640 7.351 -8.800 1.00 0.00 H new ATOM 778 N ILE A 50 3.430 5.280 -6.176 1.00 0.00 N ATOM 779 CA ILE A 50 2.000 5.258 -5.905 1.00 0.00 C ATOM 780 C ILE A 50 1.674 6.143 -4.705 1.00 0.00 C ATOM 781 O ILE A 50 2.418 6.170 -3.719 1.00 0.00 O ATOM 782 CB ILE A 50 1.516 3.820 -5.611 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.981 2.865 -6.717 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.003 3.781 -5.475 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.651 1.411 -6.446 1.00 0.00 C ATOM 0 H ILE A 50 4.007 5.047 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 50 1.489 5.634 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 50 1.952 3.496 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.521 3.163 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.059 2.966 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.324 2.760 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.312 4.431 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.460 4.124 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.010 0.796 -7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.133 1.095 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.571 1.295 -6.350 1.00 0.00 H new ATOM 797 N GLU A 51 0.573 6.872 -4.804 1.00 0.00 N ATOM 798 CA GLU A 51 0.095 7.707 -3.713 1.00 0.00 C ATOM 799 C GLU A 51 -1.157 7.091 -3.107 1.00 0.00 C ATOM 800 O GLU A 51 -2.149 6.882 -3.808 1.00 0.00 O ATOM 801 CB GLU A 51 -0.224 9.112 -4.222 1.00 0.00 C ATOM 802 CG GLU A 51 0.971 9.831 -4.824 1.00 0.00 C ATOM 803 CD GLU A 51 0.597 11.163 -5.436 1.00 0.00 C ATOM 804 OE1 GLU A 51 -0.073 11.967 -4.756 1.00 0.00 O ATOM 805 OE2 GLU A 51 0.977 11.412 -6.599 1.00 0.00 O ATOM 0 H GLU A 51 -0.012 6.902 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 51 0.874 7.773 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.013 9.047 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.617 9.707 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.724 9.988 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.425 9.199 -5.587 1.00 0.00 H new ATOM 812 N VAL A 52 -1.116 6.790 -1.817 1.00 0.00 N ATOM 813 CA VAL A 52 -2.260 6.184 -1.146 1.00 0.00 C ATOM 814 C VAL A 52 -2.520 6.841 0.204 1.00 0.00 C ATOM 815 O VAL A 52 -1.598 7.289 0.880 1.00 0.00 O ATOM 816 CB VAL A 52 -2.073 4.662 -0.929 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.060 3.923 -2.255 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.800 4.373 -0.148 1.00 0.00 C ATOM 0 H VAL A 52 -0.308 6.954 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.114 6.342 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.920 4.304 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.927 2.856 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.004 4.089 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.239 4.292 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.694 3.297 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.060 4.755 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.852 4.860 0.826 1.00 0.00 H new ATOM 828 N ASN A 53 -3.784 6.916 0.580 1.00 0.00 N ATOM 829 CA ASN A 53 -4.158 7.357 1.913 1.00 0.00 C ATOM 830 C ASN A 53 -4.287 6.127 2.792 1.00 0.00 C ATOM 831 O ASN A 53 -5.297 5.428 2.743 1.00 0.00 O ATOM 832 CB ASN A 53 -5.487 8.127 1.872 1.00 0.00 C ATOM 833 CG ASN A 53 -5.912 8.698 3.224 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.591 8.157 4.283 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.658 9.794 3.191 1.00 0.00 N ATOM 0 H ASN A 53 -4.572 6.676 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.399 8.029 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.401 8.943 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.270 7.462 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.985 10.215 4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.905 10.216 2.296 1.00 0.00 H new ATOM 842 N CYS A 54 -3.265 5.856 3.584 1.00 0.00 N ATOM 843 CA CYS A 54 -3.220 4.632 4.362 1.00 0.00 C ATOM 844 C CYS A 54 -3.369 4.922 5.844 1.00 0.00 C ATOM 845 O CYS A 54 -2.562 5.644 6.433 1.00 0.00 O ATOM 846 CB CYS A 54 -1.920 3.867 4.098 1.00 0.00 C ATOM 847 SG CYS A 54 -1.813 2.275 4.953 1.00 0.00 S ATOM 0 H CYS A 54 -2.457 6.466 3.705 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.058 4.009 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.821 3.699 3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.077 4.488 4.402 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.568 2.005 5.213 1.00 0.00 H new ATOM 853 N ASN A 55 -4.430 4.374 6.428 1.00 0.00 N ATOM 854 CA ASN A 55 -4.674 4.461 7.867 1.00 0.00 C ATOM 855 C ASN A 55 -4.838 5.918 8.309 1.00 0.00 C ATOM 856 O ASN A 55 -4.567 6.268 9.458 1.00 0.00 O ATOM 857 CB ASN A 55 -3.533 3.784 8.636 1.00 0.00 C ATOM 858 CG ASN A 55 -3.994 3.143 9.930 1.00 0.00 C ATOM 859 OD1 ASN A 55 -4.920 3.617 10.590 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.347 2.051 10.303 1.00 0.00 N ATOM 0 H ASN A 55 -5.146 3.857 5.918 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.604 3.940 8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.075 3.024 8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.762 4.522 8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.610 1.571 11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.585 1.689 9.730 1.00 0.00 H new ATOM 867 N GLY A 56 -5.305 6.755 7.389 1.00 0.00 N ATOM 868 CA GLY A 56 -5.567 8.148 7.699 1.00 0.00 C ATOM 869 C GLY A 56 -4.428 9.077 7.320 1.00 0.00 C ATOM 870 O GLY A 56 -4.546 10.294 7.458 1.00 0.00 O ATOM 0 H GLY A 56 -5.508 6.490 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.471 8.464 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.763 8.244 8.767 1.00 0.00 H new ATOM 874 N MET A 57 -3.329 8.518 6.832 1.00 0.00 N ATOM 875 CA MET A 57 -2.185 9.324 6.427 1.00 0.00 C ATOM 876 C MET A 57 -1.852 9.104 4.961 1.00 0.00 C ATOM 877 O MET A 57 -1.897 7.981 4.465 1.00 0.00 O ATOM 878 CB MET A 57 -0.965 9.023 7.302 1.00 0.00 C ATOM 879 CG MET A 57 -1.101 9.524 8.731 1.00 0.00 C ATOM 880 SD MET A 57 0.399 9.273 9.705 1.00 0.00 S ATOM 881 CE MET A 57 0.539 7.490 9.649 1.00 0.00 C ATOM 0 H MET A 57 -3.205 7.513 6.707 1.00 0.00 H new ATOM 0 HA MET A 57 -2.455 10.371 6.562 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.797 7.946 7.318 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.083 9.477 6.849 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.347 10.586 8.717 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.933 9.011 9.214 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.055 7.137 10.542 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.456 7.048 9.607 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.104 7.197 8.764 1.00 0.00 H new ATOM 891 N LEU A 58 -1.532 10.189 4.269 1.00 0.00 N ATOM 892 CA LEU A 58 -1.149 10.118 2.864 1.00 0.00 C ATOM 893 C LEU A 58 0.274 9.591 2.742 1.00 0.00 C ATOM 894 O LEU A 58 1.233 10.295 3.063 1.00 0.00 O ATOM 895 CB LEU A 58 -1.253 11.500 2.212 1.00 0.00 C ATOM 896 CG LEU A 58 -2.611 12.191 2.354 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.579 13.572 1.718 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.709 11.348 1.728 1.00 0.00 C ATOM 0 H LEU A 58 -1.530 11.132 4.658 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.828 9.438 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.489 12.146 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.024 11.401 1.151 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.825 12.304 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.554 14.047 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.820 14.181 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.340 13.479 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.667 11.857 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.497 11.202 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.753 10.379 2.226 1.00 0.00 H new ATOM 910 N LEU A 59 0.412 8.356 2.288 1.00 0.00 N ATOM 911 CA LEU A 59 1.715 7.714 2.240 1.00 0.00 C ATOM 912 C LEU A 59 2.163 7.529 0.795 1.00 0.00 C ATOM 913 O LEU A 59 1.366 7.165 -0.074 1.00 0.00 O ATOM 914 CB LEU A 59 1.695 6.345 2.945 1.00 0.00 C ATOM 915 CG LEU A 59 0.937 6.262 4.282 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.264 4.954 4.987 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.251 7.445 5.189 1.00 0.00 C ATOM 0 H LEU A 59 -0.359 7.780 1.949 1.00 0.00 H new ATOM 0 HA LEU A 59 2.418 8.363 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.258 5.618 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.726 6.038 3.120 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.130 6.296 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.723 4.905 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.968 4.116 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.336 4.902 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.695 7.346 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.319 7.465 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.963 8.371 4.692 1.00 0.00 H new ATOM 929 N THR A 60 3.430 7.804 0.540 1.00 0.00 N ATOM 930 CA THR A 60 4.009 7.559 -0.768 1.00 0.00 C ATOM 931 C THR A 60 4.795 6.251 -0.751 1.00 0.00 C ATOM 932 O THR A 60 5.612 6.018 0.141 1.00 0.00 O ATOM 933 CB THR A 60 4.941 8.708 -1.201 1.00 0.00 C ATOM 934 OG1 THR A 60 4.267 9.967 -1.068 1.00 0.00 O ATOM 935 CG2 THR A 60 5.390 8.524 -2.643 1.00 0.00 C ATOM 0 H THR A 60 4.078 8.198 1.223 1.00 0.00 H new ATOM 0 HA THR A 60 3.191 7.494 -1.485 1.00 0.00 H new ATOM 0 HB THR A 60 5.819 8.695 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.868 10.690 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.047 9.346 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.927 7.580 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.518 8.513 -3.297 1.00 0.00 H new ATOM 943 N MET A 61 4.539 5.405 -1.734 1.00 0.00 N ATOM 944 CA MET A 61 5.181 4.097 -1.814 1.00 0.00 C ATOM 945 C MET A 61 5.472 3.746 -3.263 1.00 0.00 C ATOM 946 O MET A 61 4.977 4.410 -4.171 1.00 0.00 O ATOM 947 CB MET A 61 4.274 3.033 -1.191 1.00 0.00 C ATOM 948 CG MET A 61 2.855 3.075 -1.735 1.00 0.00 C ATOM 949 SD MET A 61 1.776 1.835 -0.999 1.00 0.00 S ATOM 950 CE MET A 61 2.470 0.338 -1.691 1.00 0.00 C ATOM 0 H MET A 61 3.887 5.599 -2.494 1.00 0.00 H new ATOM 0 HA MET A 61 6.121 4.130 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.700 2.047 -1.375 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.248 3.172 -0.110 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.434 4.065 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.882 2.929 -2.815 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.681 -0.241 -2.171 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.230 0.596 -2.428 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.922 -0.255 -0.896 1.00 0.00 H new ATOM 960 N ARG A 62 6.285 2.725 -3.486 1.00 0.00 N ATOM 961 CA ARG A 62 6.618 2.318 -4.840 1.00 0.00 C ATOM 962 C ARG A 62 5.717 1.176 -5.280 1.00 0.00 C ATOM 963 O ARG A 62 5.074 0.524 -4.451 1.00 0.00 O ATOM 964 CB ARG A 62 8.089 1.892 -4.933 1.00 0.00 C ATOM 965 CG ARG A 62 9.057 2.894 -4.326 1.00 0.00 C ATOM 966 CD ARG A 62 8.833 4.299 -4.863 1.00 0.00 C ATOM 967 NE ARG A 62 9.011 4.375 -6.315 1.00 0.00 N ATOM 968 CZ ARG A 62 9.818 5.245 -6.923 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.585 6.065 -6.211 1.00 0.00 N ATOM 970 NH2 ARG A 62 9.877 5.271 -8.248 1.00 0.00 N ATOM 0 H ARG A 62 6.723 2.168 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 62 6.463 3.170 -5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.212 0.932 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.348 1.740 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.943 2.898 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.080 2.584 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.826 4.628 -4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.527 4.986 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 62 8.485 3.722 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.559 6.031 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.200 6.728 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.307 4.627 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.493 5.935 -8.718 1.00 0.00 H new ATOM 984 N ARG A 63 5.668 0.938 -6.582 1.00 0.00 N ATOM 985 CA ARG A 63 4.917 -0.188 -7.119 1.00 0.00 C ATOM 986 C ARG A 63 5.489 -1.498 -6.588 1.00 0.00 C ATOM 987 O ARG A 63 4.752 -2.450 -6.333 1.00 0.00 O ATOM 988 CB ARG A 63 4.949 -0.190 -8.652 1.00 0.00 C ATOM 989 CG ARG A 63 4.341 -1.447 -9.253 1.00 0.00 C ATOM 990 CD ARG A 63 4.623 -1.570 -10.737 1.00 0.00 C ATOM 991 NE ARG A 63 4.667 -2.976 -11.141 1.00 0.00 N ATOM 992 CZ ARG A 63 4.895 -3.400 -12.378 1.00 0.00 C ATOM 993 NH1 ARG A 63 4.989 -2.534 -13.381 1.00 0.00 N ATOM 994 NH2 ARG A 63 5.015 -4.702 -12.609 1.00 0.00 N ATOM 0 H ARG A 63 6.138 1.508 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 63 3.880 -0.089 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.410 0.682 -9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.981 -0.094 -8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.736 -2.322 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.263 -1.440 -9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.852 -1.048 -11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.572 -1.089 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 63 4.511 -3.681 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.886 -1.535 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.164 -2.868 -14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.932 -5.366 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.190 -5.038 -13.556 1.00 0.00 H new ATOM 1008 N ASN A 64 6.804 -1.517 -6.400 1.00 0.00 N ATOM 1009 CA ASN A 64 7.516 -2.699 -5.919 1.00 0.00 C ATOM 1010 C ASN A 64 6.890 -3.258 -4.642 1.00 0.00 C ATOM 1011 O ASN A 64 6.606 -4.458 -4.559 1.00 0.00 O ATOM 1012 CB ASN A 64 8.996 -2.357 -5.697 1.00 0.00 C ATOM 1013 CG ASN A 64 9.696 -3.313 -4.746 1.00 0.00 C ATOM 1014 OD1 ASN A 64 10.177 -4.375 -5.145 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.781 -2.922 -3.483 1.00 0.00 N ATOM 0 H ASN A 64 7.408 -0.714 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 64 7.438 -3.476 -6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.512 -2.367 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.073 -1.343 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.259 -3.508 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.369 -2.035 -3.195 1.00 0.00 H new ATOM 1022 N GLU A 65 6.660 -2.394 -3.656 1.00 0.00 N ATOM 1023 CA GLU A 65 6.030 -2.824 -2.414 1.00 0.00 C ATOM 1024 C GLU A 65 4.611 -3.298 -2.685 1.00 0.00 C ATOM 1025 O GLU A 65 4.188 -4.335 -2.181 1.00 0.00 O ATOM 1026 CB GLU A 65 5.989 -1.696 -1.373 1.00 0.00 C ATOM 1027 CG GLU A 65 7.350 -1.163 -0.957 1.00 0.00 C ATOM 1028 CD GLU A 65 7.914 -0.169 -1.951 1.00 0.00 C ATOM 1029 OE1 GLU A 65 7.566 1.024 -1.855 1.00 0.00 O ATOM 1030 OE2 GLU A 65 8.687 -0.586 -2.836 1.00 0.00 O ATOM 0 H GLU A 65 6.898 -1.403 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 65 6.630 -3.641 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.399 -0.872 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.470 -2.058 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.267 -0.687 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.045 -1.996 -0.848 1.00 0.00 H new ATOM 1037 N ALA A 66 3.894 -2.543 -3.510 1.00 0.00 N ATOM 1038 CA ALA A 66 2.490 -2.815 -3.790 1.00 0.00 C ATOM 1039 C ALA A 66 2.298 -4.158 -4.491 1.00 0.00 C ATOM 1040 O ALA A 66 1.239 -4.780 -4.375 1.00 0.00 O ATOM 1041 CB ALA A 66 1.898 -1.687 -4.619 1.00 0.00 C ATOM 0 H ALA A 66 4.267 -1.730 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 66 1.964 -2.873 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.848 -1.898 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.979 -0.750 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.442 -1.603 -5.560 1.00 0.00 H new ATOM 1047 N GLU A 67 3.303 -4.589 -5.244 1.00 0.00 N ATOM 1048 CA GLU A 67 3.275 -5.913 -5.855 1.00 0.00 C ATOM 1049 C GLU A 67 3.324 -6.985 -4.773 1.00 0.00 C ATOM 1050 O GLU A 67 2.640 -8.001 -4.854 1.00 0.00 O ATOM 1051 CB GLU A 67 4.439 -6.095 -6.835 1.00 0.00 C ATOM 1052 CG GLU A 67 4.475 -5.046 -7.935 1.00 0.00 C ATOM 1053 CD GLU A 67 5.468 -5.368 -9.033 1.00 0.00 C ATOM 1054 OE1 GLU A 67 6.677 -5.148 -8.831 1.00 0.00 O ATOM 1055 OE2 GLU A 67 5.039 -5.821 -10.117 1.00 0.00 O ATOM 0 H GLU A 67 4.142 -4.045 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 67 2.346 -6.011 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.378 -6.062 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.370 -7.084 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.480 -4.950 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.726 -4.079 -7.499 1.00 0.00 H new ATOM 1062 N GLY A 68 4.169 -6.761 -3.781 1.00 0.00 N ATOM 1063 CA GLY A 68 4.239 -7.657 -2.644 1.00 0.00 C ATOM 1064 C GLY A 68 2.994 -7.612 -1.770 1.00 0.00 C ATOM 1065 O GLY A 68 2.563 -8.632 -1.231 1.00 0.00 O ATOM 0 H GLY A 68 4.812 -5.970 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.388 -8.676 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.109 -7.400 -2.040 1.00 0.00 H new ATOM 1069 N ILE A 69 2.424 -6.425 -1.618 1.00 0.00 N ATOM 1070 CA ILE A 69 1.303 -6.226 -0.709 1.00 0.00 C ATOM 1071 C ILE A 69 0.014 -6.808 -1.278 1.00 0.00 C ATOM 1072 O ILE A 69 -0.333 -6.586 -2.441 1.00 0.00 O ATOM 1073 CB ILE A 69 1.085 -4.730 -0.388 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.368 -4.112 0.172 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.060 -4.557 0.602 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.259 -2.629 0.448 1.00 0.00 C ATOM 0 H ILE A 69 2.720 -5.584 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 69 1.556 -6.751 0.212 1.00 0.00 H new ATOM 0 HB ILE A 69 0.824 -4.215 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.635 -4.626 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.181 -4.282 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.199 -3.497 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.976 -4.964 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.175 -5.086 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.206 -2.262 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.023 -2.103 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.469 -2.452 1.178 1.00 0.00 H new ATOM 1088 N THR A 70 -0.685 -7.555 -0.442 1.00 0.00 N ATOM 1089 CA THR A 70 -1.944 -8.168 -0.809 1.00 0.00 C ATOM 1090 C THR A 70 -3.090 -7.482 -0.067 1.00 0.00 C ATOM 1091 O THR A 70 -3.041 -7.324 1.156 1.00 0.00 O ATOM 1092 CB THR A 70 -1.912 -9.665 -0.468 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.701 -10.237 -0.981 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.109 -10.386 -1.062 1.00 0.00 C ATOM 0 H THR A 70 -0.392 -7.753 0.515 1.00 0.00 H new ATOM 0 HA THR A 70 -2.101 -8.054 -1.882 1.00 0.00 H new ATOM 0 HB THR A 70 -1.951 -9.778 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.673 -11.193 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.061 -11.444 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.028 -9.957 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.099 -10.275 -2.146 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.109 -7.058 -0.806 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.214 -6.311 -0.222 1.00 0.00 C ATOM 1104 C VAL A 71 -6.559 -6.862 -0.677 1.00 0.00 C ATOM 1105 O VAL A 71 -6.654 -7.559 -1.689 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.158 -4.810 -0.594 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.855 -4.175 -0.128 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.352 -4.621 -2.094 1.00 0.00 C ATOM 0 H VAL A 71 -4.192 -7.219 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.113 -6.420 0.858 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.974 -4.304 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.845 -3.120 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.772 -4.268 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.014 -4.682 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.309 -3.559 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.564 -5.147 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.322 -5.021 -2.389 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.590 -6.539 0.081 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.959 -6.862 -0.285 1.00 0.00 C ATOM 1120 C HIS A 72 -9.784 -5.582 -0.319 1.00 0.00 C ATOM 1121 O HIS A 72 -9.749 -4.794 0.623 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.555 -7.869 0.709 1.00 0.00 C ATOM 1123 CG HIS A 72 -11.023 -8.118 0.523 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.497 -8.950 -0.464 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.072 -7.615 1.216 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.816 -8.930 -0.349 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.208 -8.136 0.656 1.00 0.00 N ATOM 0 H HIS A 72 -7.503 -6.045 0.969 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.973 -7.321 -1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.022 -8.815 0.615 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.384 -7.507 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.022 -6.933 2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.490 -9.484 -0.985 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.168 -7.954 0.948 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.507 -5.372 -1.410 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.296 -4.157 -1.587 1.00 0.00 C ATOM 1137 C ILE A 73 -12.428 -4.080 -0.566 1.00 0.00 C ATOM 1138 O ILE A 73 -13.199 -5.027 -0.401 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.877 -4.069 -3.015 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.745 -3.986 -4.042 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.810 -2.868 -3.150 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.227 -3.901 -5.476 1.00 0.00 C ATOM 0 H ILE A 73 -10.565 -6.028 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.624 -3.313 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.458 -4.971 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.131 -3.113 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.104 -4.861 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.207 -2.828 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.633 -2.965 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.257 -1.952 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.369 -3.845 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.816 -4.786 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.843 -3.010 -5.601 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.518 -2.945 0.112 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.521 -2.750 1.148 1.00 0.00 C ATOM 1156 C LEU A 74 -14.853 -2.328 0.549 1.00 0.00 C ATOM 1157 O LEU A 74 -15.186 -1.144 0.525 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.054 -1.705 2.159 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.856 -2.118 3.015 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.410 -0.964 3.893 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.205 -3.331 3.863 1.00 0.00 C ATOM 0 H LEU A 74 -11.906 -2.143 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.658 -3.703 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.799 -0.791 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.887 -1.464 2.820 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.032 -2.385 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.557 -1.274 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.124 -0.119 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.229 -0.668 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.342 -3.613 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.042 -3.089 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.481 -4.162 3.214 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.594 -3.303 0.051 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.904 -3.058 -0.536 1.00 0.00 C ATOM 1175 C ALA A 75 -17.591 -4.371 -0.860 1.00 0.00 C ATOM 1176 O ALA A 75 -16.996 -5.441 -0.718 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.781 -2.211 -1.797 1.00 0.00 C ATOM 0 H ALA A 75 -15.308 -4.282 0.041 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.505 -2.513 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.772 -2.040 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.322 -1.254 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.161 -2.732 -2.526 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.840 -4.287 -1.295 1.00 0.00 N ATOM 1184 CA GLY A 76 -19.561 -5.468 -1.728 1.00 0.00 C ATOM 1185 C GLY A 76 -19.299 -5.775 -3.185 1.00 0.00 C ATOM 1186 O GLY A 76 -20.216 -6.097 -3.942 1.00 0.00 O ATOM 0 H GLY A 76 -19.370 -3.418 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.265 -6.321 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.630 -5.320 -1.573 1.00 0.00 H new ATOM 1190 N ASP A 77 -18.040 -5.678 -3.572 1.00 0.00 N ATOM 1191 CA ASP A 77 -17.641 -5.872 -4.954 1.00 0.00 C ATOM 1192 C ASP A 77 -16.525 -6.903 -5.023 1.00 0.00 C ATOM 1193 O ASP A 77 -15.377 -6.612 -4.693 1.00 0.00 O ATOM 1194 CB ASP A 77 -17.173 -4.545 -5.560 1.00 0.00 C ATOM 1195 CG ASP A 77 -16.961 -4.625 -7.058 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -17.931 -4.393 -7.808 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -15.827 -4.900 -7.497 1.00 0.00 O ATOM 0 H ASP A 77 -17.268 -5.463 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 77 -18.496 -6.232 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.910 -3.772 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.242 -4.241 -5.082 1.00 0.00 H new ATOM 1202 N GLU A 78 -16.871 -8.114 -5.430 1.00 0.00 N ATOM 1203 CA GLU A 78 -15.916 -9.208 -5.448 1.00 0.00 C ATOM 1204 C GLU A 78 -16.211 -10.167 -6.594 1.00 0.00 C ATOM 1205 O GLU A 78 -17.164 -9.976 -7.352 1.00 0.00 O ATOM 1206 CB GLU A 78 -15.950 -9.959 -4.116 1.00 0.00 C ATOM 1207 CG GLU A 78 -17.320 -10.518 -3.775 1.00 0.00 C ATOM 1208 CD GLU A 78 -17.322 -11.301 -2.484 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -16.749 -12.409 -2.463 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -17.888 -10.808 -1.484 1.00 0.00 O ATOM 0 H GLU A 78 -17.806 -8.363 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.921 -8.789 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.230 -10.777 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.631 -9.286 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.034 -9.698 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.658 -11.162 -4.587 1.00 0.00 H new ATOM 1217 N GLY A 79 -15.390 -11.198 -6.703 1.00 0.00 N ATOM 1218 CA GLY A 79 -15.562 -12.190 -7.740 1.00 0.00 C ATOM 1219 C GLY A 79 -14.434 -13.191 -7.730 1.00 0.00 C ATOM 1220 O GLY A 79 -14.528 -14.233 -7.084 1.00 0.00 O ATOM 0 H GLY A 79 -14.598 -11.366 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.511 -12.707 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.608 -11.699 -8.712 1.00 0.00 H new ATOM 1224 N HIS A 80 -13.356 -12.868 -8.424 1.00 0.00 N ATOM 1225 CA HIS A 80 -12.182 -13.730 -8.460 1.00 0.00 C ATOM 1226 C HIS A 80 -10.944 -12.953 -8.916 1.00 0.00 C ATOM 1227 O HIS A 80 -10.547 -13.004 -10.080 1.00 0.00 O ATOM 1228 CB HIS A 80 -12.429 -14.965 -9.353 1.00 0.00 C ATOM 1229 CG HIS A 80 -12.909 -14.654 -10.744 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -12.115 -14.886 -11.844 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -14.098 -14.152 -11.159 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -12.834 -14.521 -12.892 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -14.039 -14.070 -12.523 1.00 0.00 N ATOM 0 H HIS A 80 -13.267 -12.013 -8.973 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.995 -14.086 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.503 -15.536 -9.423 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.163 -15.607 -8.866 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.932 -13.871 -10.533 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.493 -14.579 -13.915 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -14.775 -13.729 -13.142 1.00 0.00 H new ATOM 1241 N PRO A 81 -10.335 -12.186 -8.000 1.00 0.00 N ATOM 1242 CA PRO A 81 -9.121 -11.425 -8.288 1.00 0.00 C ATOM 1243 C PRO A 81 -7.907 -12.339 -8.388 1.00 0.00 C ATOM 1244 O PRO A 81 -7.662 -13.146 -7.485 1.00 0.00 O ATOM 1245 CB PRO A 81 -8.985 -10.474 -7.090 1.00 0.00 C ATOM 1246 CG PRO A 81 -10.250 -10.618 -6.307 1.00 0.00 C ATOM 1247 CD PRO A 81 -10.776 -11.987 -6.615 1.00 0.00 C ATOM 0 HA PRO A 81 -9.179 -10.900 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.118 -10.733 -6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.846 -9.445 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.063 -10.504 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.972 -9.851 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.364 -12.741 -5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.861 -12.036 -6.522 1.00 0.00 H new ATOM 1255 N HIS A 82 -7.157 -12.193 -9.483 1.00 0.00 N ATOM 1256 CA HIS A 82 -6.034 -13.079 -9.808 1.00 0.00 C ATOM 1257 C HIS A 82 -6.528 -14.483 -10.150 1.00 0.00 C ATOM 1258 O HIS A 82 -7.195 -15.144 -9.351 1.00 0.00 O ATOM 1259 CB HIS A 82 -4.994 -13.124 -8.681 1.00 0.00 C ATOM 1260 CG HIS A 82 -4.042 -11.968 -8.705 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -4.198 -10.877 -7.881 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -2.945 -11.786 -9.477 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -3.200 -10.066 -8.174 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -2.415 -10.573 -9.134 1.00 0.00 N ATOM 0 H HIS A 82 -7.311 -11.456 -10.171 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.540 -12.665 -10.687 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.510 -13.141 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.428 -14.053 -8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.562 -12.468 -10.221 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.036 -9.110 -7.698 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.583 -10.138 -9.532 1.00 0.00 H new ATOM 1272 N GLY A 83 -6.192 -14.933 -11.349 1.00 0.00 N ATOM 1273 CA GLY A 83 -6.713 -16.187 -11.847 1.00 0.00 C ATOM 1274 C GLY A 83 -5.780 -17.358 -11.623 1.00 0.00 C ATOM 1275 O GLY A 83 -5.390 -17.653 -10.493 1.00 0.00 O ATOM 0 H GLY A 83 -5.563 -14.448 -11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.667 -16.394 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.913 -16.090 -12.914 1.00 0.00 H new ATOM 1279 N TRP A 84 -5.423 -18.023 -12.708 1.00 0.00 N ATOM 1280 CA TRP A 84 -4.659 -19.261 -12.641 1.00 0.00 C ATOM 1281 C TRP A 84 -3.238 -19.041 -13.169 1.00 0.00 C ATOM 1282 O TRP A 84 -3.042 -18.295 -14.130 1.00 0.00 O ATOM 1283 CB TRP A 84 -5.395 -20.318 -13.474 1.00 0.00 C ATOM 1284 CG TRP A 84 -4.855 -21.714 -13.370 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -4.102 -22.369 -14.296 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -5.049 -22.632 -12.286 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -3.812 -23.636 -13.860 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -4.382 -23.822 -12.627 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -5.721 -22.560 -11.062 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -4.371 -24.933 -11.787 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -5.706 -23.662 -10.230 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -5.035 -24.834 -10.595 1.00 0.00 C ATOM 0 H TRP A 84 -5.652 -17.724 -13.656 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.574 -19.598 -11.608 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.442 -20.329 -13.172 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.368 -20.014 -14.520 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.780 -21.951 -15.238 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.262 -24.327 -14.370 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -6.242 -21.659 -10.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.857 -25.840 -12.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -6.221 -23.618 -9.282 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -5.041 -25.678 -9.922 1.00 0.00 H new ATOM 1303 N PRO A 85 -2.231 -19.684 -12.545 1.00 0.00 N ATOM 1304 CA PRO A 85 -0.834 -19.604 -12.990 1.00 0.00 C ATOM 1305 C PRO A 85 -0.657 -20.066 -14.434 1.00 0.00 C ATOM 1306 O PRO A 85 -0.091 -19.346 -15.257 1.00 0.00 O ATOM 1307 CB PRO A 85 -0.081 -20.535 -12.029 1.00 0.00 C ATOM 1308 CG PRO A 85 -1.131 -21.341 -11.340 1.00 0.00 C ATOM 1309 CD PRO A 85 -2.370 -20.499 -11.334 1.00 0.00 C ATOM 0 HA PRO A 85 -0.467 -18.578 -12.972 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.613 -21.178 -12.570 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.507 -19.963 -11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.303 -22.283 -11.861 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.825 -21.591 -10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.272 -21.111 -11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.432 -19.881 -10.438 1.00 0.00 H new ATOM 1317 N GLY A 86 -1.146 -21.263 -14.739 1.00 0.00 N ATOM 1318 CA GLY A 86 -1.109 -21.751 -16.104 1.00 0.00 C ATOM 1319 C GLY A 86 -0.032 -22.791 -16.344 1.00 0.00 C ATOM 1320 O GLY A 86 0.267 -23.113 -17.495 1.00 0.00 O ATOM 0 H GLY A 86 -1.567 -21.903 -14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.079 -22.179 -16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.948 -20.910 -16.778 1.00 0.00 H new ATOM 1324 N PHE A 87 0.529 -23.325 -15.255 1.00 0.00 N ATOM 1325 CA PHE A 87 1.592 -24.331 -15.315 1.00 0.00 C ATOM 1326 C PHE A 87 2.875 -23.757 -15.913 1.00 0.00 C ATOM 1327 O PHE A 87 2.904 -23.310 -17.060 1.00 0.00 O ATOM 1328 CB PHE A 87 1.136 -25.566 -16.106 1.00 0.00 C ATOM 1329 CG PHE A 87 2.179 -26.644 -16.198 1.00 0.00 C ATOM 1330 CD1 PHE A 87 2.429 -27.481 -15.122 1.00 0.00 C ATOM 1331 CD2 PHE A 87 2.909 -26.819 -17.362 1.00 0.00 C ATOM 1332 CE1 PHE A 87 3.387 -28.471 -15.206 1.00 0.00 C ATOM 1333 CE2 PHE A 87 3.868 -27.807 -17.451 1.00 0.00 C ATOM 1334 CZ PHE A 87 4.108 -28.635 -16.372 1.00 0.00 C ATOM 0 H PHE A 87 0.258 -23.071 -14.305 1.00 0.00 H new ATOM 0 HA PHE A 87 1.808 -24.637 -14.291 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.242 -25.977 -15.637 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.855 -25.258 -17.113 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.868 -27.357 -14.208 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.726 -26.175 -18.209 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.572 -29.117 -14.360 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.431 -27.933 -18.364 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.858 -29.409 -16.440 1.00 0.00 H new ATOM 1344 N ARG A 88 3.939 -23.768 -15.128 1.00 0.00 N ATOM 1345 CA ARG A 88 5.229 -23.292 -15.600 1.00 0.00 C ATOM 1346 C ARG A 88 5.876 -24.370 -16.464 1.00 0.00 C ATOM 1347 O ARG A 88 6.114 -25.488 -16.003 1.00 0.00 O ATOM 1348 CB ARG A 88 6.120 -22.918 -14.404 1.00 0.00 C ATOM 1349 CG ARG A 88 7.413 -22.194 -14.768 1.00 0.00 C ATOM 1350 CD ARG A 88 8.514 -23.155 -15.186 1.00 0.00 C ATOM 1351 NE ARG A 88 8.876 -24.086 -14.114 1.00 0.00 N ATOM 1352 CZ ARG A 88 10.067 -24.678 -14.012 1.00 0.00 C ATOM 1353 NH1 ARG A 88 11.013 -24.443 -14.912 1.00 0.00 N ATOM 1354 NH2 ARG A 88 10.318 -25.513 -13.009 1.00 0.00 N ATOM 0 H ARG A 88 3.936 -24.100 -14.164 1.00 0.00 H new ATOM 0 HA ARG A 88 5.097 -22.396 -16.207 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.546 -22.287 -13.725 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.371 -23.827 -13.858 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.218 -21.493 -15.580 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.751 -21.607 -13.914 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.188 -23.719 -16.060 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.395 -22.587 -15.484 1.00 0.00 H new ATOM 0 HE ARG A 88 8.175 -24.294 -13.403 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.832 -23.806 -15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.921 -24.899 -14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.598 -25.704 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.231 -25.963 -12.936 1.00 0.00 H new ATOM 1368 N ARG A 89 6.142 -24.036 -17.718 1.00 0.00 N ATOM 1369 CA ARG A 89 6.663 -25.006 -18.672 1.00 0.00 C ATOM 1370 C ARG A 89 8.136 -25.296 -18.418 1.00 0.00 C ATOM 1371 O ARG A 89 8.908 -24.400 -18.077 1.00 0.00 O ATOM 1372 CB ARG A 89 6.476 -24.511 -20.108 1.00 0.00 C ATOM 1373 CG ARG A 89 7.016 -25.484 -21.145 1.00 0.00 C ATOM 1374 CD ARG A 89 6.801 -25.010 -22.571 1.00 0.00 C ATOM 1375 NE ARG A 89 7.361 -25.971 -23.520 1.00 0.00 N ATOM 1376 CZ ARG A 89 7.033 -26.046 -24.806 1.00 0.00 C ATOM 1377 NH1 ARG A 89 6.166 -25.191 -25.333 1.00 0.00 N ATOM 1378 NH2 ARG A 89 7.582 -26.988 -25.562 1.00 0.00 N ATOM 0 H ARG A 89 6.006 -23.100 -18.100 1.00 0.00 H new ATOM 0 HA ARG A 89 6.099 -25.929 -18.537 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.415 -24.342 -20.293 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.977 -23.550 -20.224 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.082 -25.634 -20.974 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.533 -26.452 -21.013 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.735 -24.881 -22.761 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.270 -24.036 -22.711 1.00 0.00 H new ATOM 0 HE ARG A 89 8.054 -26.632 -23.170 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.745 -24.468 -24.750 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.921 -25.257 -26.321 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.248 -27.645 -25.155 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.338 -27.055 -26.550 1.00 0.00 H new ATOM 1392 N ARG A 90 8.515 -26.555 -18.587 1.00 0.00 N ATOM 1393 CA ARG A 90 9.900 -26.977 -18.441 1.00 0.00 C ATOM 1394 C ARG A 90 10.175 -28.137 -19.394 1.00 0.00 C ATOM 1395 O ARG A 90 9.282 -28.948 -19.661 1.00 0.00 O ATOM 1396 CB ARG A 90 10.210 -27.378 -16.987 1.00 0.00 C ATOM 1397 CG ARG A 90 9.722 -28.768 -16.581 1.00 0.00 C ATOM 1398 CD ARG A 90 8.207 -28.900 -16.633 1.00 0.00 C ATOM 1399 NE ARG A 90 7.778 -30.273 -16.374 1.00 0.00 N ATOM 1400 CZ ARG A 90 7.206 -31.066 -17.280 1.00 0.00 C ATOM 1401 NH1 ARG A 90 6.913 -30.604 -18.489 1.00 0.00 N ATOM 1402 NH2 ARG A 90 6.922 -32.322 -16.969 1.00 0.00 N ATOM 0 H ARG A 90 7.873 -27.310 -18.828 1.00 0.00 H new ATOM 0 HA ARG A 90 10.553 -26.141 -18.692 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.288 -27.329 -16.835 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.761 -26.643 -16.320 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.170 -29.512 -17.240 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.067 -28.988 -15.571 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.757 -28.233 -15.898 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.847 -28.584 -17.612 1.00 0.00 H new ATOM 0 HE ARG A 90 7.926 -30.649 -15.438 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.125 -29.636 -18.730 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.475 -31.217 -19.177 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.141 -32.679 -16.039 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.484 -32.932 -17.660 1.00 0.00 H new ATOM 1416 N HIS A 91 11.388 -28.209 -19.922 1.00 0.00 N ATOM 1417 CA HIS A 91 11.746 -29.268 -20.859 1.00 0.00 C ATOM 1418 C HIS A 91 13.250 -29.311 -21.086 1.00 0.00 C ATOM 1419 O HIS A 91 13.964 -28.349 -20.785 1.00 0.00 O ATOM 1420 CB HIS A 91 11.007 -29.090 -22.199 1.00 0.00 C ATOM 1421 CG HIS A 91 11.182 -27.741 -22.838 1.00 0.00 C ATOM 1422 ND1 HIS A 91 10.145 -26.842 -22.904 1.00 0.00 N ATOM 1423 CD2 HIS A 91 12.272 -27.201 -23.437 1.00 0.00 C ATOM 1424 CE1 HIS A 91 10.621 -25.785 -23.535 1.00 0.00 C ATOM 1425 NE2 HIS A 91 11.904 -25.955 -23.878 1.00 0.00 N ATOM 0 H HIS A 91 12.140 -27.550 -19.720 1.00 0.00 H new ATOM 0 HA HIS A 91 11.439 -30.217 -20.420 1.00 0.00 H new ATOM 0 HB2 HIS A 91 11.354 -29.854 -22.894 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.943 -29.265 -22.038 1.00 0.00 H new ATOM 0 HD2 HIS A 91 13.242 -27.662 -23.546 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.048 -24.895 -23.748 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.495 -25.286 -24.372 1.00 0.00 H new ATOM 1433 N ARG A 92 13.722 -30.430 -21.622 1.00 0.00 N ATOM 1434 CA ARG A 92 15.134 -30.603 -21.918 1.00 0.00 C ATOM 1435 C ARG A 92 15.326 -31.670 -22.990 1.00 0.00 C ATOM 1436 O ARG A 92 15.821 -31.376 -24.077 1.00 0.00 O ATOM 1437 CB ARG A 92 15.914 -30.994 -20.661 1.00 0.00 C ATOM 1438 CG ARG A 92 17.420 -30.958 -20.857 1.00 0.00 C ATOM 1439 CD ARG A 92 18.162 -31.547 -19.673 1.00 0.00 C ATOM 1440 NE ARG A 92 19.605 -31.355 -19.798 1.00 0.00 N ATOM 1441 CZ ARG A 92 20.487 -32.345 -19.942 1.00 0.00 C ATOM 1442 NH1 ARG A 92 20.081 -33.613 -19.930 1.00 0.00 N ATOM 1443 NH2 ARG A 92 21.773 -32.059 -20.094 1.00 0.00 N ATOM 0 H ARG A 92 13.142 -31.234 -21.861 1.00 0.00 H new ATOM 0 HA ARG A 92 15.517 -29.651 -22.285 1.00 0.00 H new ATOM 0 HB2 ARG A 92 15.643 -30.319 -19.849 1.00 0.00 H new ATOM 0 HB3 ARG A 92 15.618 -31.997 -20.354 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.681 -31.510 -21.760 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.741 -29.928 -21.010 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.810 -31.081 -18.753 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.941 -32.611 -19.596 1.00 0.00 H new ATOM 0 HE ARG A 92 19.962 -30.400 -19.773 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.092 -33.831 -19.810 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.759 -34.367 -20.041 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.082 -31.087 -20.100 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.453 -32.811 -20.205 1.00 0.00 H new ATOM 1457 N PHE A 93 14.912 -32.898 -22.668 1.00 0.00 N ATOM 1458 CA PHE A 93 15.070 -34.049 -23.559 1.00 0.00 C ATOM 1459 C PHE A 93 16.544 -34.278 -23.895 1.00 0.00 C ATOM 1460 O PHE A 93 17.062 -33.770 -24.893 1.00 0.00 O ATOM 1461 CB PHE A 93 14.238 -33.877 -24.838 1.00 0.00 C ATOM 1462 CG PHE A 93 14.281 -35.071 -25.752 1.00 0.00 C ATOM 1463 CD1 PHE A 93 13.655 -36.255 -25.398 1.00 0.00 C ATOM 1464 CD2 PHE A 93 14.950 -35.009 -26.965 1.00 0.00 C ATOM 1465 CE1 PHE A 93 13.694 -37.353 -26.235 1.00 0.00 C ATOM 1466 CE2 PHE A 93 14.992 -36.103 -27.805 1.00 0.00 C ATOM 1467 CZ PHE A 93 14.365 -37.277 -27.438 1.00 0.00 C ATOM 0 H PHE A 93 14.458 -33.122 -21.782 1.00 0.00 H new ATOM 0 HA PHE A 93 14.700 -34.931 -23.036 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.202 -33.678 -24.563 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.598 -33.002 -25.380 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.130 -36.320 -24.456 1.00 0.00 H new ATOM 0 HD2 PHE A 93 15.444 -34.094 -27.256 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.200 -38.270 -25.948 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.515 -36.041 -28.748 1.00 0.00 H new ATOM 0 HZ PHE A 93 14.400 -38.135 -28.092 1.00 0.00 H new ATOM 1477 N GLY A 94 17.221 -35.027 -23.035 1.00 0.00 N ATOM 1478 CA GLY A 94 18.631 -35.294 -23.228 1.00 0.00 C ATOM 1479 C GLY A 94 18.889 -36.303 -24.329 1.00 0.00 C ATOM 1480 O GLY A 94 19.654 -36.028 -25.253 1.00 0.00 O ATOM 0 H GLY A 94 16.815 -35.456 -22.203 1.00 0.00 H new ATOM 0 HA2 GLY A 94 19.144 -34.362 -23.467 1.00 0.00 H new ATOM 0 HA3 GLY A 94 19.058 -35.663 -22.295 1.00 0.00 H new ATOM 1484 N LYS A 95 18.236 -37.465 -24.226 1.00 0.00 N ATOM 1485 CA LYS A 95 18.419 -38.567 -25.176 1.00 0.00 C ATOM 1486 C LYS A 95 19.879 -39.021 -25.208 1.00 0.00 C ATOM 1487 O LYS A 95 20.701 -38.487 -25.954 1.00 0.00 O ATOM 1488 CB LYS A 95 17.944 -38.170 -26.580 1.00 0.00 C ATOM 1489 CG LYS A 95 18.075 -39.276 -27.615 1.00 0.00 C ATOM 1490 CD LYS A 95 17.593 -38.823 -28.984 1.00 0.00 C ATOM 1491 CE LYS A 95 17.808 -39.897 -30.040 1.00 0.00 C ATOM 1492 NZ LYS A 95 17.076 -41.151 -29.725 1.00 0.00 N ATOM 0 H LYS A 95 17.567 -37.668 -23.483 1.00 0.00 H new ATOM 0 HA LYS A 95 17.808 -39.404 -24.838 1.00 0.00 H new ATOM 0 HB2 LYS A 95 16.900 -37.860 -26.525 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.516 -37.304 -26.914 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.116 -39.591 -27.681 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.499 -40.144 -27.295 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.534 -38.571 -28.932 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.123 -37.916 -29.274 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.480 -39.521 -31.009 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.873 -40.112 -30.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.126 -41.796 -30.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.508 -41.606 -28.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.081 -40.930 -29.520 1.00 0.00 H new ATOM 1506 N ARG A 96 20.202 -40.001 -24.380 1.00 0.00 N ATOM 1507 CA ARG A 96 21.570 -40.481 -24.269 1.00 0.00 C ATOM 1508 C ARG A 96 21.770 -41.740 -25.102 1.00 0.00 C ATOM 1509 O ARG A 96 20.975 -42.675 -25.027 1.00 0.00 O ATOM 1510 CB ARG A 96 21.901 -40.762 -22.803 1.00 0.00 C ATOM 1511 CG ARG A 96 23.329 -41.219 -22.567 1.00 0.00 C ATOM 1512 CD ARG A 96 23.560 -41.561 -21.107 1.00 0.00 C ATOM 1513 NE ARG A 96 24.946 -41.940 -20.841 1.00 0.00 N ATOM 1514 CZ ARG A 96 25.324 -42.705 -19.815 1.00 0.00 C ATOM 1515 NH1 ARG A 96 24.417 -43.228 -19.003 1.00 0.00 N ATOM 1516 NH2 ARG A 96 26.605 -42.978 -19.622 1.00 0.00 N ATOM 0 H ARG A 96 19.535 -40.480 -23.775 1.00 0.00 H new ATOM 0 HA ARG A 96 22.241 -39.711 -24.649 1.00 0.00 H new ATOM 0 HB2 ARG A 96 21.719 -39.859 -22.221 1.00 0.00 H new ATOM 0 HB3 ARG A 96 21.220 -41.526 -22.428 1.00 0.00 H new ATOM 0 HG2 ARG A 96 23.542 -42.091 -23.186 1.00 0.00 H new ATOM 0 HG3 ARG A 96 24.020 -40.434 -22.873 1.00 0.00 H new ATOM 0 HD2 ARG A 96 23.295 -40.704 -20.488 1.00 0.00 H new ATOM 0 HD3 ARG A 96 22.900 -42.379 -20.818 1.00 0.00 H new ATOM 0 HE ARG A 96 25.667 -41.600 -21.477 1.00 0.00 H new ATOM 0 HH11 ARG A 96 23.426 -43.046 -19.161 1.00 0.00 H new ATOM 0 HH12 ARG A 96 24.710 -43.812 -18.220 1.00 0.00 H new ATOM 0 HH21 ARG A 96 27.308 -42.603 -20.259 1.00 0.00 H new ATOM 0 HH22 ARG A 96 26.889 -43.563 -18.836 1.00 0.00 H new ATOM 1530 N ALA A 97 22.825 -41.754 -25.905 1.00 0.00 N ATOM 1531 CA ALA A 97 23.174 -42.931 -26.686 1.00 0.00 C ATOM 1532 C ALA A 97 24.304 -43.694 -26.008 1.00 0.00 C ATOM 1533 O ALA A 97 25.461 -43.272 -26.044 1.00 0.00 O ATOM 1534 CB ALA A 97 23.565 -42.540 -28.102 1.00 0.00 C ATOM 0 H ALA A 97 23.455 -40.962 -26.032 1.00 0.00 H new ATOM 0 HA ALA A 97 22.301 -43.581 -26.744 1.00 0.00 H new ATOM 0 HB1 ALA A 97 23.822 -43.435 -28.669 1.00 0.00 H new ATOM 0 HB2 ALA A 97 22.729 -42.033 -28.584 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.425 -41.871 -28.070 1.00 0.00 H new ATOM 1540 N LEU A 98 23.964 -44.806 -25.377 1.00 0.00 N ATOM 1541 CA LEU A 98 24.943 -45.593 -24.643 1.00 0.00 C ATOM 1542 C LEU A 98 25.277 -46.857 -25.429 1.00 0.00 C ATOM 1543 O LEU A 98 24.413 -47.703 -25.660 1.00 0.00 O ATOM 1544 CB LEU A 98 24.396 -45.942 -23.249 1.00 0.00 C ATOM 1545 CG LEU A 98 25.444 -46.284 -22.175 1.00 0.00 C ATOM 1546 CD1 LEU A 98 24.799 -46.289 -20.799 1.00 0.00 C ATOM 1547 CD2 LEU A 98 26.098 -47.633 -22.443 1.00 0.00 C ATOM 0 H LEU A 98 23.017 -45.185 -25.358 1.00 0.00 H new ATOM 0 HA LEU A 98 25.857 -45.012 -24.515 1.00 0.00 H new ATOM 0 HB2 LEU A 98 23.803 -45.100 -22.893 1.00 0.00 H new ATOM 0 HB3 LEU A 98 23.718 -46.790 -23.349 1.00 0.00 H new ATOM 0 HG LEU A 98 26.219 -45.519 -22.211 1.00 0.00 H new ATOM 0 HD11 LEU A 98 25.549 -46.532 -20.046 1.00 0.00 H new ATOM 0 HD12 LEU A 98 24.381 -45.304 -20.590 1.00 0.00 H new ATOM 0 HD13 LEU A 98 24.004 -47.034 -20.773 1.00 0.00 H new ATOM 0 HD21 LEU A 98 26.832 -47.842 -21.665 1.00 0.00 H new ATOM 0 HD22 LEU A 98 25.337 -48.413 -22.442 1.00 0.00 H new ATOM 0 HD23 LEU A 98 26.594 -47.611 -23.414 1.00 0.00 H new ATOM 1559 N GLU A 99 26.527 -46.969 -25.854 1.00 0.00 N ATOM 1560 CA GLU A 99 26.979 -48.135 -26.598 1.00 0.00 C ATOM 1561 C GLU A 99 27.429 -49.235 -25.645 1.00 0.00 C ATOM 1562 O GLU A 99 28.445 -49.103 -24.957 1.00 0.00 O ATOM 1563 CB GLU A 99 28.116 -47.754 -27.546 1.00 0.00 C ATOM 1564 CG GLU A 99 27.686 -46.786 -28.636 1.00 0.00 C ATOM 1565 CD GLU A 99 28.826 -46.399 -29.554 1.00 0.00 C ATOM 1566 OE1 GLU A 99 29.113 -47.152 -30.508 1.00 0.00 O ATOM 1567 OE2 GLU A 99 29.434 -45.331 -29.332 1.00 0.00 O ATOM 0 H GLU A 99 27.248 -46.265 -25.696 1.00 0.00 H new ATOM 0 HA GLU A 99 26.145 -48.511 -27.190 1.00 0.00 H new ATOM 0 HB2 GLU A 99 28.926 -47.307 -26.970 1.00 0.00 H new ATOM 0 HB3 GLU A 99 28.514 -48.658 -28.008 1.00 0.00 H new ATOM 0 HG2 GLU A 99 26.888 -47.239 -29.225 1.00 0.00 H new ATOM 0 HG3 GLU A 99 27.273 -45.888 -28.177 1.00 0.00 H new ATOM 1574 N HIS A 100 26.664 -50.313 -25.611 1.00 0.00 N ATOM 1575 CA HIS A 100 26.958 -51.438 -24.740 1.00 0.00 C ATOM 1576 C HIS A 100 26.697 -52.741 -25.484 1.00 0.00 C ATOM 1577 O HIS A 100 25.551 -53.062 -25.805 1.00 0.00 O ATOM 1578 CB HIS A 100 26.103 -51.370 -23.468 1.00 0.00 C ATOM 1579 CG HIS A 100 26.430 -52.426 -22.455 1.00 0.00 C ATOM 1580 ND1 HIS A 100 25.683 -53.574 -22.350 1.00 0.00 N ATOM 1581 CD2 HIS A 100 27.418 -52.455 -21.528 1.00 0.00 C ATOM 1582 CE1 HIS A 100 26.228 -54.272 -21.368 1.00 0.00 C ATOM 1583 NE2 HIS A 100 27.281 -53.634 -20.839 1.00 0.00 N ATOM 0 H HIS A 100 25.827 -50.433 -26.182 1.00 0.00 H new ATOM 0 HA HIS A 100 28.007 -51.396 -24.448 1.00 0.00 H new ATOM 0 HB2 HIS A 100 26.230 -50.389 -23.009 1.00 0.00 H new ATOM 0 HB3 HIS A 100 25.052 -51.459 -23.744 1.00 0.00 H new ATOM 0 HD2 HIS A 100 28.169 -51.696 -21.363 1.00 0.00 H new ATOM 0 HE1 HIS A 100 25.870 -55.235 -21.034 1.00 0.00 H new ATOM 0 HE2 HIS A 100 27.868 -53.962 -20.072 1.00 0.00 H new ATOM 1591 N HIS A 101 27.760 -53.470 -25.789 1.00 0.00 N ATOM 1592 CA HIS A 101 27.628 -54.738 -26.488 1.00 0.00 C ATOM 1593 C HIS A 101 27.246 -55.839 -25.505 1.00 0.00 C ATOM 1594 O HIS A 101 27.554 -55.749 -24.313 1.00 0.00 O ATOM 1595 CB HIS A 101 28.931 -55.094 -27.214 1.00 0.00 C ATOM 1596 CG HIS A 101 28.804 -56.260 -28.154 1.00 0.00 C ATOM 1597 ND1 HIS A 101 29.388 -57.472 -27.880 1.00 0.00 N ATOM 1598 CD2 HIS A 101 28.152 -56.343 -29.342 1.00 0.00 C ATOM 1599 CE1 HIS A 101 29.082 -58.261 -28.896 1.00 0.00 C ATOM 1600 NE2 HIS A 101 28.335 -57.621 -29.808 1.00 0.00 N ATOM 0 H HIS A 101 28.719 -53.206 -25.564 1.00 0.00 H new ATOM 0 HA HIS A 101 26.839 -54.644 -27.234 1.00 0.00 H new ATOM 0 HB2 HIS A 101 29.273 -54.224 -27.774 1.00 0.00 H new ATOM 0 HB3 HIS A 101 29.699 -55.318 -26.473 1.00 0.00 H new ATOM 0 HD2 HIS A 101 27.596 -55.555 -29.827 1.00 0.00 H new ATOM 0 HE1 HIS A 101 29.394 -59.291 -28.981 1.00 0.00 H new ATOM 0 HE2 HIS A 101 27.973 -58.009 -30.679 1.00 0.00 H new ATOM 1608 N HIS A 102 26.567 -56.863 -26.011 1.00 0.00 N ATOM 1609 CA HIS A 102 26.108 -57.975 -25.190 1.00 0.00 C ATOM 1610 C HIS A 102 27.279 -58.598 -24.437 1.00 0.00 C ATOM 1611 O HIS A 102 27.220 -58.759 -23.219 1.00 0.00 O ATOM 1612 CB HIS A 102 25.422 -59.027 -26.072 1.00 0.00 C ATOM 1613 CG HIS A 102 24.578 -60.020 -25.326 1.00 0.00 C ATOM 1614 ND1 HIS A 102 24.882 -60.792 -24.253 1.00 0.00 N flip ATOM 1615 CD2 HIS A 102 23.289 -60.287 -25.716 1.00 0.00 C flip ATOM 1616 CE1 HIS A 102 23.771 -61.543 -23.977 1.00 0.00 C flip ATOM 1617 NE2 HIS A 102 22.839 -61.208 -24.881 1.00 0.00 N flip ATOM 0 H HIS A 102 26.321 -56.945 -26.997 1.00 0.00 H new ATOM 0 HA HIS A 102 25.389 -57.601 -24.461 1.00 0.00 H new ATOM 0 HB2 HIS A 102 24.796 -58.516 -26.803 1.00 0.00 H new ATOM 0 HB3 HIS A 102 26.187 -59.568 -26.630 1.00 0.00 H new ATOM 0 HD2 HIS A 102 22.752 -59.836 -26.538 1.00 0.00 H new ATOM 0 HE1 HIS A 102 23.665 -62.267 -23.183 1.00 0.00 H new ATOM 0 HE2 HIS A 102 21.903 -61.612 -24.920 1.00 0.00 H new ATOM 1625 N HIS A 103 28.327 -58.958 -25.186 1.00 0.00 N ATOM 1626 CA HIS A 103 29.563 -59.529 -24.631 1.00 0.00 C ATOM 1627 C HIS A 103 29.360 -60.960 -24.116 1.00 0.00 C ATOM 1628 O HIS A 103 30.317 -61.733 -24.056 1.00 0.00 O ATOM 1629 CB HIS A 103 30.134 -58.634 -23.517 1.00 0.00 C ATOM 1630 CG HIS A 103 31.459 -59.093 -22.976 1.00 0.00 C ATOM 1631 ND1 HIS A 103 32.645 -58.743 -23.580 1.00 0.00 N ATOM 1632 CD2 HIS A 103 31.724 -59.867 -21.896 1.00 0.00 C ATOM 1633 CE1 HIS A 103 33.598 -59.308 -22.855 1.00 0.00 C ATOM 1634 NE2 HIS A 103 33.087 -60.000 -21.825 1.00 0.00 N ATOM 0 H HIS A 103 28.343 -58.861 -26.201 1.00 0.00 H new ATOM 0 HA HIS A 103 30.284 -59.574 -25.448 1.00 0.00 H new ATOM 0 HB2 HIS A 103 30.243 -57.620 -23.901 1.00 0.00 H new ATOM 0 HB3 HIS A 103 29.416 -58.589 -22.698 1.00 0.00 H new ATOM 0 HD2 HIS A 103 31.000 -60.297 -21.220 1.00 0.00 H new ATOM 0 HE1 HIS A 103 34.654 -59.223 -23.066 1.00 0.00 H new ATOM 0 HE2 HIS A 103 33.611 -60.524 -21.124 1.00 0.00 H new ATOM 1642 N HIS A 104 28.122 -61.301 -23.758 1.00 0.00 N ATOM 1643 CA HIS A 104 27.783 -62.615 -23.206 1.00 0.00 C ATOM 1644 C HIS A 104 28.326 -62.748 -21.788 1.00 0.00 C ATOM 1645 O HIS A 104 28.678 -61.748 -21.161 1.00 0.00 O ATOM 1646 CB HIS A 104 28.285 -63.758 -24.099 1.00 0.00 C ATOM 1647 CG HIS A 104 27.492 -63.928 -25.359 1.00 0.00 C ATOM 1648 ND1 HIS A 104 28.062 -63.780 -26.602 1.00 0.00 N ATOM 1649 CD2 HIS A 104 26.184 -64.247 -25.508 1.00 0.00 C ATOM 1650 CE1 HIS A 104 27.092 -64.015 -27.471 1.00 0.00 C ATOM 1651 NE2 HIS A 104 25.939 -64.301 -26.854 1.00 0.00 N ATOM 0 H HIS A 104 27.323 -60.673 -23.842 1.00 0.00 H new ATOM 0 HA HIS A 104 26.696 -62.692 -23.172 1.00 0.00 H new ATOM 0 HB2 HIS A 104 29.328 -63.574 -24.358 1.00 0.00 H new ATOM 0 HB3 HIS A 104 28.256 -64.689 -23.533 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.471 -64.425 -24.717 1.00 0.00 H new ATOM 0 HE1 HIS A 104 27.215 -63.980 -28.543 1.00 0.00 H new ATOM 0 HE2 HIS A 104 25.048 -64.518 -27.301 1.00 0.00 H new ATOM 1659 N HIS A 105 28.373 -63.971 -21.276 1.00 0.00 N ATOM 1660 CA HIS A 105 28.796 -64.199 -19.896 1.00 0.00 C ATOM 1661 C HIS A 105 30.317 -64.140 -19.774 1.00 0.00 C ATOM 1662 O HIS A 105 30.952 -65.210 -19.683 1.00 0.00 O ATOM 1663 CB HIS A 105 28.290 -65.555 -19.390 1.00 0.00 C ATOM 1664 CG HIS A 105 26.803 -65.726 -19.474 1.00 0.00 C ATOM 1665 ND1 HIS A 105 26.238 -66.936 -19.807 1.00 0.00 N ATOM 1666 CD2 HIS A 105 25.818 -64.822 -19.258 1.00 0.00 C ATOM 1667 CE1 HIS A 105 24.930 -66.743 -19.787 1.00 0.00 C ATOM 1668 NE2 HIS A 105 24.629 -65.478 -19.459 1.00 0.00 N ATOM 1669 OXT HIS A 105 30.880 -63.021 -19.774 1.00 0.00 O ATOM 0 H HIS A 105 28.126 -64.817 -21.790 1.00 0.00 H new ATOM 0 HA HIS A 105 28.364 -63.408 -19.283 1.00 0.00 H new ATOM 0 HB2 HIS A 105 28.769 -66.347 -19.966 1.00 0.00 H new ATOM 0 HB3 HIS A 105 28.601 -65.682 -18.353 1.00 0.00 H new ATOM 0 HD2 HIS A 105 25.944 -63.786 -18.981 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.198 -67.506 -20.007 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.694 -65.079 -19.375 1.00 0.00 H new TER 1677 HIS A 105