USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -161:sc= -0.021 (180deg=-0.391) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.616 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.122 (180deg=-0.658) USER MOD Single : A 13 TYR OH : rot 2:sc= -0.66 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= -0.0648 (180deg=-0.27) USER MOD Single : A 21 ASN : amide:sc= -0.792! X(o=-0.79!,f=-0.74) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.812 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.4) USER MOD Single : A 62 SER OG : rot -72:sc= 0.117 USER MOD Single : A 67 GLN : amide:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -94:sc= 0.774 USER MOD Single : A 75 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.633 -1.190 -2.100 1.00 0.00 C ATOM 4 O LYS A 1 1.571 -1.090 -3.325 1.00 0.00 O ATOM 5 CB LYS A 1 3.577 0.034 -0.967 1.00 0.00 C ATOM 6 CG LYS A 1 4.166 1.406 -1.300 1.00 0.00 C ATOM 7 CD LYS A 1 5.295 1.768 -0.333 1.00 0.00 C ATOM 8 CE LYS A 1 5.409 3.284 -0.165 1.00 0.00 C ATOM 9 NZ LYS A 1 6.761 3.748 -0.550 1.00 0.00 N ATOM 0 H1 LYS A 1 1.371 0.945 0.432 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.333 -0.246 -0.191 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.735 -0.699 0.652 1.00 0.00 H new ATOM 0 HA LYS A 1 1.858 0.902 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.762 -0.200 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.077 -0.733 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.544 1.405 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.384 2.163 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.111 1.304 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.239 1.368 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.659 3.781 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.205 3.557 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.821 4.779 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.471 3.287 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.942 3.504 -1.545 1.00 0.00 H new ATOM 23 N SER A 2 1.338 -2.289 -1.421 1.00 0.00 N ATOM 24 CA SER A 2 0.905 -3.497 -2.103 1.00 0.00 C ATOM 25 C SER A 2 -0.577 -3.389 -2.468 1.00 0.00 C ATOM 26 O SER A 2 -1.269 -2.481 -2.009 1.00 0.00 O ATOM 27 CB SER A 2 1.149 -4.735 -1.238 1.00 0.00 C ATOM 28 OG SER A 2 1.966 -5.696 -1.901 1.00 0.00 O ATOM 0 H SER A 2 1.390 -2.368 -0.405 1.00 0.00 H new ATOM 0 HA SER A 2 1.491 -3.603 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.625 -4.437 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.193 -5.190 -0.977 1.00 0.00 H new ATOM 0 HG SER A 2 2.100 -6.471 -1.316 1.00 0.00 H new ATOM 34 N PRO A 3 -1.033 -4.353 -3.312 1.00 0.00 N ATOM 35 CA PRO A 3 -2.420 -4.375 -3.744 1.00 0.00 C ATOM 36 C PRO A 3 -3.335 -4.874 -2.624 1.00 0.00 C ATOM 37 O PRO A 3 -4.391 -4.293 -2.375 1.00 0.00 O ATOM 38 CB PRO A 3 -2.436 -5.274 -4.969 1.00 0.00 C ATOM 39 CG PRO A 3 -1.155 -6.090 -4.904 1.00 0.00 C ATOM 40 CD PRO A 3 -0.243 -5.444 -3.874 1.00 0.00 C ATOM 0 HA PRO A 3 -2.800 -3.383 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.312 -5.922 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.478 -4.685 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.373 -7.122 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.670 -6.117 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.052 -6.157 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.673 -5.074 -4.333 1.00 0.00 H new ATOM 48 N GLU A 4 -2.898 -5.945 -1.978 1.00 0.00 N ATOM 49 CA GLU A 4 -3.664 -6.528 -0.890 1.00 0.00 C ATOM 50 C GLU A 4 -3.857 -5.506 0.232 1.00 0.00 C ATOM 51 O GLU A 4 -4.859 -5.542 0.944 1.00 0.00 O ATOM 52 CB GLU A 4 -2.992 -7.798 -0.365 1.00 0.00 C ATOM 53 CG GLU A 4 -3.991 -8.954 -0.285 1.00 0.00 C ATOM 54 CD GLU A 4 -4.619 -9.041 1.107 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.519 -8.215 1.376 1.00 0.00 O ATOM 56 OE2 GLU A 4 -4.186 -9.930 1.871 1.00 0.00 O ATOM 0 H GLU A 4 -2.022 -6.424 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.646 -6.807 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.164 -8.073 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.569 -7.609 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.772 -8.816 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.487 -9.892 -0.520 1.00 0.00 H new ATOM 63 N GLU A 5 -2.882 -4.617 0.353 1.00 0.00 N ATOM 64 CA GLU A 5 -2.931 -3.586 1.376 1.00 0.00 C ATOM 65 C GLU A 5 -4.154 -2.691 1.168 1.00 0.00 C ATOM 66 O GLU A 5 -4.798 -2.278 2.132 1.00 0.00 O ATOM 67 CB GLU A 5 -1.643 -2.761 1.386 1.00 0.00 C ATOM 68 CG GLU A 5 -0.826 -3.037 2.650 1.00 0.00 C ATOM 69 CD GLU A 5 -0.297 -1.735 3.256 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.758 -1.271 2.772 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.961 -1.233 4.189 1.00 0.00 O ATOM 0 H GLU A 5 -2.053 -4.589 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.020 -4.070 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.048 -2.999 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.886 -1.700 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.445 -3.557 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.008 -3.697 2.411 1.00 0.00 H new ATOM 78 N LEU A 6 -4.438 -2.416 -0.097 1.00 0.00 N ATOM 79 CA LEU A 6 -5.572 -1.576 -0.444 1.00 0.00 C ATOM 80 C LEU A 6 -6.845 -2.169 0.165 1.00 0.00 C ATOM 81 O LEU A 6 -7.695 -1.437 0.670 1.00 0.00 O ATOM 82 CB LEU A 6 -5.650 -1.379 -1.959 1.00 0.00 C ATOM 83 CG LEU A 6 -4.946 -0.138 -2.511 1.00 0.00 C ATOM 84 CD1 LEU A 6 -4.989 -0.117 -4.040 1.00 0.00 C ATOM 85 CD2 LEU A 6 -5.530 1.139 -1.903 1.00 0.00 C ATOM 0 H LEU A 6 -3.902 -2.760 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.450 -0.578 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.225 -2.259 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.701 -1.334 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.897 -0.183 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.482 0.776 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.490 -1.004 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.026 -0.108 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.012 2.007 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.591 1.204 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.403 1.118 -0.821 1.00 0.00 H new ATOM 97 N LYS A 7 -6.936 -3.489 0.097 1.00 0.00 N ATOM 98 CA LYS A 7 -8.090 -4.188 0.635 1.00 0.00 C ATOM 99 C LYS A 7 -8.162 -3.957 2.146 1.00 0.00 C ATOM 100 O LYS A 7 -9.150 -3.425 2.650 1.00 0.00 O ATOM 101 CB LYS A 7 -8.054 -5.666 0.240 1.00 0.00 C ATOM 102 CG LYS A 7 -9.467 -6.210 0.023 1.00 0.00 C ATOM 103 CD LYS A 7 -9.679 -6.618 -1.436 1.00 0.00 C ATOM 104 CE LYS A 7 -9.655 -8.140 -1.590 1.00 0.00 C ATOM 105 NZ LYS A 7 -8.353 -8.585 -2.135 1.00 0.00 N ATOM 0 H LYS A 7 -6.229 -4.093 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.010 -3.790 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.469 -5.788 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.554 -6.242 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.633 -7.069 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.199 -5.452 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.633 -6.228 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.902 -6.174 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.832 -8.612 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.461 -8.457 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.353 -9.620 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.199 -8.149 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.590 -8.299 -1.489 1.00 0.00 H new ATOM 119 N GLY A 8 -7.103 -4.369 2.827 1.00 0.00 N ATOM 120 CA GLY A 8 -7.034 -4.214 4.270 1.00 0.00 C ATOM 121 C GLY A 8 -7.265 -2.757 4.676 1.00 0.00 C ATOM 122 O GLY A 8 -8.098 -2.473 5.535 1.00 0.00 O ATOM 0 H GLY A 8 -6.285 -4.810 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.781 -4.850 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.060 -4.545 4.629 1.00 0.00 H new ATOM 126 N ILE A 9 -6.512 -1.872 4.039 1.00 0.00 N ATOM 127 CA ILE A 9 -6.624 -0.452 4.323 1.00 0.00 C ATOM 128 C ILE A 9 -8.083 -0.018 4.166 1.00 0.00 C ATOM 129 O ILE A 9 -8.649 0.606 5.062 1.00 0.00 O ATOM 130 CB ILE A 9 -5.648 0.347 3.457 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.239 0.322 4.052 1.00 0.00 C ATOM 132 CG2 ILE A 9 -6.152 1.774 3.237 1.00 0.00 C ATOM 133 CD1 ILE A 9 -3.270 1.148 3.205 1.00 0.00 C ATOM 0 H ILE A 9 -5.822 -2.111 3.327 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.339 -0.247 5.355 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.592 -0.129 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.263 0.714 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.886 -0.707 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.440 2.320 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.120 1.745 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.256 2.275 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.276 1.113 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.230 0.739 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.613 2.182 3.164 1.00 0.00 H new ATOM 145 N PHE A 10 -8.650 -0.366 3.020 1.00 0.00 N ATOM 146 CA PHE A 10 -10.032 -0.020 2.734 1.00 0.00 C ATOM 147 C PHE A 10 -10.951 -0.437 3.884 1.00 0.00 C ATOM 148 O PHE A 10 -11.693 0.385 4.419 1.00 0.00 O ATOM 149 CB PHE A 10 -10.433 -0.787 1.472 1.00 0.00 C ATOM 150 CG PHE A 10 -11.937 -1.039 1.349 1.00 0.00 C ATOM 151 CD1 PHE A 10 -12.494 -2.133 1.934 1.00 0.00 C ATOM 152 CD2 PHE A 10 -12.717 -0.168 0.654 1.00 0.00 C ATOM 153 CE1 PHE A 10 -13.890 -2.366 1.819 1.00 0.00 C ATOM 154 CE2 PHE A 10 -14.113 -0.401 0.539 1.00 0.00 C ATOM 155 CZ PHE A 10 -14.670 -1.495 1.124 1.00 0.00 C ATOM 0 H PHE A 10 -8.178 -0.884 2.279 1.00 0.00 H new ATOM 0 HA PHE A 10 -10.126 1.058 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.096 -0.230 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.912 -1.745 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -11.875 -2.825 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.275 0.701 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -14.332 -3.235 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -14.732 0.291 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.732 -1.672 1.037 1.00 0.00 H new ATOM 165 N GLU A 11 -10.871 -1.714 4.230 1.00 0.00 N ATOM 166 CA GLU A 11 -11.686 -2.250 5.306 1.00 0.00 C ATOM 167 C GLU A 11 -11.347 -1.554 6.626 1.00 0.00 C ATOM 168 O GLU A 11 -12.230 -1.306 7.446 1.00 0.00 O ATOM 169 CB GLU A 11 -11.511 -3.765 5.425 1.00 0.00 C ATOM 170 CG GLU A 11 -12.781 -4.500 4.993 1.00 0.00 C ATOM 171 CD GLU A 11 -12.784 -5.940 5.510 1.00 0.00 C ATOM 172 OE1 GLU A 11 -11.672 -6.485 5.679 1.00 0.00 O ATOM 173 OE2 GLU A 11 -13.899 -6.463 5.724 1.00 0.00 O ATOM 0 H GLU A 11 -10.254 -2.393 3.784 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.733 -2.056 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.672 -4.087 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.268 -4.027 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.657 -3.972 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.853 -4.500 3.905 1.00 0.00 H new ATOM 180 N LYS A 12 -10.066 -1.257 6.790 1.00 0.00 N ATOM 181 CA LYS A 12 -9.600 -0.595 7.996 1.00 0.00 C ATOM 182 C LYS A 12 -10.340 0.734 8.161 1.00 0.00 C ATOM 183 O LYS A 12 -10.503 1.223 9.278 1.00 0.00 O ATOM 184 CB LYS A 12 -8.077 -0.451 7.974 1.00 0.00 C ATOM 185 CG LYS A 12 -7.562 0.137 9.289 1.00 0.00 C ATOM 186 CD LYS A 12 -6.036 0.239 9.284 1.00 0.00 C ATOM 187 CE LYS A 12 -5.484 0.281 10.711 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.754 -0.996 11.408 1.00 0.00 N ATOM 0 H LYS A 12 -9.337 -1.463 6.107 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.828 -1.199 8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.619 -1.425 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.781 0.191 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.995 1.125 9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.885 -0.487 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.613 -0.613 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.730 1.136 8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.411 0.469 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.940 1.105 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.043 -1.142 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.702 -0.965 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.707 -1.780 10.726 1.00 0.00 H new ATOM 202 N TYR A 13 -10.770 1.280 7.033 1.00 0.00 N ATOM 203 CA TYR A 13 -11.489 2.543 7.039 1.00 0.00 C ATOM 204 C TYR A 13 -13.001 2.312 7.033 1.00 0.00 C ATOM 205 O TYR A 13 -13.743 3.018 7.714 1.00 0.00 O ATOM 206 CB TYR A 13 -11.090 3.261 5.749 1.00 0.00 C ATOM 207 CG TYR A 13 -9.866 4.167 5.894 1.00 0.00 C ATOM 208 CD1 TYR A 13 -9.984 5.392 6.518 1.00 0.00 C ATOM 209 CD2 TYR A 13 -8.643 3.760 5.401 1.00 0.00 C ATOM 210 CE1 TYR A 13 -8.832 6.245 6.655 1.00 0.00 C ATOM 211 CE2 TYR A 13 -7.490 4.612 5.538 1.00 0.00 C ATOM 212 CZ TYR A 13 -7.642 5.813 6.158 1.00 0.00 C ATOM 213 OH TYR A 13 -6.554 6.619 6.287 1.00 0.00 O ATOM 0 H TYR A 13 -10.634 0.871 6.109 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.245 3.120 7.931 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.889 2.517 4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -11.933 3.859 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.941 5.711 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -8.550 2.802 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.911 7.206 7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.527 4.304 5.157 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.804 7.430 6.777 1.00 0.00 H new ATOM 223 N ALA A 14 -13.414 1.320 6.257 1.00 0.00 N ATOM 224 CA ALA A 14 -14.824 0.988 6.154 1.00 0.00 C ATOM 225 C ALA A 14 -15.316 0.448 7.499 1.00 0.00 C ATOM 226 O ALA A 14 -16.487 0.604 7.844 1.00 0.00 O ATOM 227 CB ALA A 14 -15.031 -0.011 5.014 1.00 0.00 C ATOM 0 H ALA A 14 -12.796 0.736 5.694 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.411 1.876 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.089 -0.260 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.693 0.431 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.459 -0.917 5.215 1.00 0.00 H new ATOM 233 N ALA A 15 -14.398 -0.176 8.221 1.00 0.00 N ATOM 234 CA ALA A 15 -14.723 -0.740 9.520 1.00 0.00 C ATOM 235 C ALA A 15 -14.849 0.389 10.545 1.00 0.00 C ATOM 236 O ALA A 15 -15.519 0.236 11.565 1.00 0.00 O ATOM 237 CB ALA A 15 -13.660 -1.767 9.912 1.00 0.00 C ATOM 0 H ALA A 15 -13.428 -0.304 7.931 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.680 -1.260 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.904 -2.190 10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.631 -2.563 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.685 -1.281 9.961 1.00 0.00 H new ATOM 243 N LYS A 16 -14.194 1.499 10.238 1.00 0.00 N ATOM 244 CA LYS A 16 -14.223 2.654 11.119 1.00 0.00 C ATOM 245 C LYS A 16 -15.677 3.039 11.399 1.00 0.00 C ATOM 246 O LYS A 16 -16.144 2.933 12.532 1.00 0.00 O ATOM 247 CB LYS A 16 -13.386 3.795 10.536 1.00 0.00 C ATOM 248 CG LYS A 16 -12.376 4.313 11.562 1.00 0.00 C ATOM 249 CD LYS A 16 -11.814 5.672 11.140 1.00 0.00 C ATOM 250 CE LYS A 16 -11.342 6.471 12.356 1.00 0.00 C ATOM 251 NZ LYS A 16 -11.125 7.889 11.991 1.00 0.00 N ATOM 0 H LYS A 16 -13.640 1.623 9.391 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.765 2.413 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.861 3.448 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.041 4.608 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.855 4.400 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.562 3.596 11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.983 5.527 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.578 6.235 10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.083 6.404 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.417 6.043 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.632 8.376 12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.548 7.941 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.043 8.348 11.822 1.00 0.00 H new ATOM 265 N GLU A 17 -16.353 3.479 10.347 1.00 0.00 N ATOM 266 CA GLU A 17 -17.744 3.880 10.465 1.00 0.00 C ATOM 267 C GLU A 17 -18.635 2.960 9.629 1.00 0.00 C ATOM 268 O GLU A 17 -18.362 2.726 8.453 1.00 0.00 O ATOM 269 CB GLU A 17 -17.929 5.343 10.056 1.00 0.00 C ATOM 270 CG GLU A 17 -17.497 6.286 11.180 1.00 0.00 C ATOM 271 CD GLU A 17 -18.565 7.349 11.446 1.00 0.00 C ATOM 272 OE1 GLU A 17 -19.228 7.745 10.464 1.00 0.00 O ATOM 273 OE2 GLU A 17 -18.695 7.740 12.626 1.00 0.00 O ATOM 0 H GLU A 17 -15.962 3.566 9.409 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.041 3.788 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.346 5.550 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.974 5.525 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.314 5.714 12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.557 6.769 10.913 1.00 0.00 H new ATOM 280 N GLY A 18 -19.683 2.462 10.270 1.00 0.00 N ATOM 281 CA GLY A 18 -20.616 1.572 9.600 1.00 0.00 C ATOM 282 C GLY A 18 -19.929 0.269 9.185 1.00 0.00 C ATOM 283 O GLY A 18 -18.739 0.084 9.434 1.00 0.00 O ATOM 0 H GLY A 18 -19.906 2.658 11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.453 1.351 10.262 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -21.028 2.066 8.720 1.00 0.00 H new ATOM 287 N ASP A 19 -20.709 -0.601 8.559 1.00 0.00 N ATOM 288 CA ASP A 19 -20.191 -1.881 8.108 1.00 0.00 C ATOM 289 C ASP A 19 -18.942 -1.648 7.255 1.00 0.00 C ATOM 290 O ASP A 19 -18.886 -0.699 6.475 1.00 0.00 O ATOM 291 CB ASP A 19 -21.219 -2.619 7.249 1.00 0.00 C ATOM 292 CG ASP A 19 -21.126 -4.145 7.297 1.00 0.00 C ATOM 293 OD1 ASP A 19 -20.322 -4.690 6.510 1.00 0.00 O ATOM 294 OD2 ASP A 19 -21.860 -4.733 8.120 1.00 0.00 O ATOM 0 H ASP A 19 -21.696 -0.444 8.354 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.960 -2.481 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -22.218 -2.321 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -21.105 -2.295 6.214 1.00 0.00 H new ATOM 299 N PRO A 20 -17.944 -2.555 7.438 1.00 0.00 N ATOM 300 CA PRO A 20 -16.700 -2.458 6.694 1.00 0.00 C ATOM 301 C PRO A 20 -16.890 -2.908 5.245 1.00 0.00 C ATOM 302 O PRO A 20 -15.947 -2.887 4.455 1.00 0.00 O ATOM 303 CB PRO A 20 -15.715 -3.325 7.461 1.00 0.00 C ATOM 304 CG PRO A 20 -16.558 -4.241 8.334 1.00 0.00 C ATOM 305 CD PRO A 20 -17.975 -3.692 8.353 1.00 0.00 C ATOM 0 HA PRO A 20 -16.334 -1.434 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.089 -3.902 6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -15.047 -2.714 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.548 -5.258 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.152 -4.285 9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.695 -4.443 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -18.267 -3.384 9.357 1.00 0.00 H new ATOM 313 N ASN A 21 -18.117 -3.305 4.938 1.00 0.00 N ATOM 314 CA ASN A 21 -18.443 -3.760 3.597 1.00 0.00 C ATOM 315 C ASN A 21 -18.894 -2.565 2.754 1.00 0.00 C ATOM 316 O ASN A 21 -18.497 -2.432 1.598 1.00 0.00 O ATOM 317 CB ASN A 21 -19.585 -4.778 3.624 1.00 0.00 C ATOM 318 CG ASN A 21 -19.084 -6.152 4.073 1.00 0.00 C ATOM 319 OD1 ASN A 21 -19.085 -7.116 3.326 1.00 0.00 O ATOM 320 ND2 ASN A 21 -18.658 -6.187 5.332 1.00 0.00 N ATOM 0 H ASN A 21 -18.897 -3.321 5.595 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.554 -4.227 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.368 -4.434 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -20.031 -4.856 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.304 -7.059 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.685 -5.342 5.903 1.00 0.00 H new ATOM 327 N GLN A 22 -19.717 -1.726 3.366 1.00 0.00 N ATOM 328 CA GLN A 22 -20.226 -0.548 2.686 1.00 0.00 C ATOM 329 C GLN A 22 -19.485 0.703 3.166 1.00 0.00 C ATOM 330 O GLN A 22 -19.389 0.949 4.367 1.00 0.00 O ATOM 331 CB GLN A 22 -21.735 -0.404 2.893 1.00 0.00 C ATOM 332 CG GLN A 22 -22.139 -0.837 4.304 1.00 0.00 C ATOM 333 CD GLN A 22 -23.563 -0.383 4.631 1.00 0.00 C ATOM 334 OE1 GLN A 22 -23.812 0.757 4.988 1.00 0.00 O ATOM 335 NE2 GLN A 22 -24.480 -1.335 4.488 1.00 0.00 N ATOM 0 H GLN A 22 -20.044 -1.839 4.326 1.00 0.00 H new ATOM 0 HA GLN A 22 -20.049 -0.665 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -22.031 0.632 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -22.266 -1.008 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -22.071 -1.922 4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -21.444 -0.416 5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -24.203 -2.269 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -25.461 -1.132 4.681 1.00 0.00 H new ATOM 344 N LEU A 23 -18.982 1.459 2.201 1.00 0.00 N ATOM 345 CA LEU A 23 -18.253 2.678 2.510 1.00 0.00 C ATOM 346 C LEU A 23 -19.246 3.825 2.705 1.00 0.00 C ATOM 347 O LEU A 23 -20.444 3.659 2.481 1.00 0.00 O ATOM 348 CB LEU A 23 -17.195 2.955 1.440 1.00 0.00 C ATOM 349 CG LEU A 23 -15.880 2.186 1.581 1.00 0.00 C ATOM 350 CD1 LEU A 23 -14.887 2.954 2.454 1.00 0.00 C ATOM 351 CD2 LEU A 23 -16.127 0.769 2.103 1.00 0.00 C ATOM 0 H LEU A 23 -19.065 1.251 1.206 1.00 0.00 H new ATOM 0 HA LEU A 23 -17.705 2.568 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -17.624 2.725 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -16.971 4.022 1.446 1.00 0.00 H new ATOM 0 HG LEU A 23 -15.432 2.091 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.961 2.385 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.678 3.923 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -15.313 3.102 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -15.176 0.244 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -16.608 0.820 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -16.773 0.232 1.408 1.00 0.00 H new ATOM 363 N SER A 24 -18.711 4.964 3.121 1.00 0.00 N ATOM 364 CA SER A 24 -19.535 6.138 3.349 1.00 0.00 C ATOM 365 C SER A 24 -18.763 7.402 2.965 1.00 0.00 C ATOM 366 O SER A 24 -17.534 7.396 2.930 1.00 0.00 O ATOM 367 CB SER A 24 -19.991 6.217 4.808 1.00 0.00 C ATOM 368 OG SER A 24 -20.743 5.070 5.195 1.00 0.00 O ATOM 0 H SER A 24 -17.717 5.098 3.306 1.00 0.00 H new ATOM 0 HA SER A 24 -20.424 6.058 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.120 6.315 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.596 7.112 4.951 1.00 0.00 H new ATOM 0 HG SER A 24 -21.014 5.158 6.133 1.00 0.00 H new ATOM 374 N LYS A 25 -19.516 8.456 2.688 1.00 0.00 N ATOM 375 CA LYS A 25 -18.918 9.725 2.309 1.00 0.00 C ATOM 376 C LYS A 25 -17.842 10.102 3.329 1.00 0.00 C ATOM 377 O LYS A 25 -16.680 10.289 2.972 1.00 0.00 O ATOM 378 CB LYS A 25 -19.997 10.794 2.129 1.00 0.00 C ATOM 379 CG LYS A 25 -19.412 12.065 1.510 1.00 0.00 C ATOM 380 CD LYS A 25 -20.216 13.298 1.927 1.00 0.00 C ATOM 381 CE LYS A 25 -21.595 13.303 1.264 1.00 0.00 C ATOM 382 NZ LYS A 25 -22.389 14.464 1.727 1.00 0.00 N ATOM 0 H LYS A 25 -20.536 8.457 2.718 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.424 9.639 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.793 10.408 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.446 11.029 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.374 12.181 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.411 11.977 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.330 13.313 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.672 14.202 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.484 13.340 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.121 12.378 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.322 14.452 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.511 14.412 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.893 15.344 1.481 1.00 0.00 H new ATOM 396 N GLU A 26 -18.268 10.203 4.580 1.00 0.00 N ATOM 397 CA GLU A 26 -17.356 10.554 5.655 1.00 0.00 C ATOM 398 C GLU A 26 -16.217 9.536 5.739 1.00 0.00 C ATOM 399 O GLU A 26 -15.063 9.907 5.949 1.00 0.00 O ATOM 400 CB GLU A 26 -18.096 10.660 6.990 1.00 0.00 C ATOM 401 CG GLU A 26 -17.997 12.076 7.561 1.00 0.00 C ATOM 402 CD GLU A 26 -17.653 12.042 9.052 1.00 0.00 C ATOM 403 OE1 GLU A 26 -16.500 11.668 9.360 1.00 0.00 O ATOM 404 OE2 GLU A 26 -18.550 12.391 9.849 1.00 0.00 O ATOM 0 H GLU A 26 -19.233 10.048 4.873 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.928 11.532 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -19.144 10.392 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.676 9.948 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.235 12.638 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.942 12.598 7.414 1.00 0.00 H new ATOM 411 N GLU A 27 -16.581 8.274 5.570 1.00 0.00 N ATOM 412 CA GLU A 27 -15.603 7.200 5.624 1.00 0.00 C ATOM 413 C GLU A 27 -14.549 7.386 4.531 1.00 0.00 C ATOM 414 O GLU A 27 -13.361 7.507 4.824 1.00 0.00 O ATOM 415 CB GLU A 27 -16.283 5.834 5.504 1.00 0.00 C ATOM 416 CG GLU A 27 -16.595 5.253 6.885 1.00 0.00 C ATOM 417 CD GLU A 27 -16.614 3.724 6.845 1.00 0.00 C ATOM 418 OE1 GLU A 27 -17.139 3.189 5.845 1.00 0.00 O ATOM 419 OE2 GLU A 27 -16.104 3.124 7.815 1.00 0.00 O ATOM 0 H GLU A 27 -17.539 7.970 5.396 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.104 7.237 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.205 5.932 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.637 5.149 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.849 5.592 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.560 5.623 7.230 1.00 0.00 H new ATOM 426 N LEU A 28 -15.023 7.403 3.294 1.00 0.00 N ATOM 427 CA LEU A 28 -14.136 7.572 2.155 1.00 0.00 C ATOM 428 C LEU A 28 -13.309 8.846 2.344 1.00 0.00 C ATOM 429 O LEU A 28 -12.114 8.863 2.053 1.00 0.00 O ATOM 430 CB LEU A 28 -14.930 7.543 0.848 1.00 0.00 C ATOM 431 CG LEU A 28 -14.154 7.113 -0.399 1.00 0.00 C ATOM 432 CD1 LEU A 28 -12.944 6.255 -0.023 1.00 0.00 C ATOM 433 CD2 LEU A 28 -15.071 6.405 -1.398 1.00 0.00 C ATOM 0 H LEU A 28 -16.010 7.303 3.055 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.434 6.741 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.777 6.868 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.339 8.538 0.672 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.773 8.008 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.410 5.963 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.278 6.828 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.281 5.362 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.495 6.110 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.502 5.519 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.871 7.081 -1.700 1.00 0.00 H new ATOM 445 N LYS A 29 -13.978 9.881 2.829 1.00 0.00 N ATOM 446 CA LYS A 29 -13.320 11.156 3.059 1.00 0.00 C ATOM 447 C LYS A 29 -11.980 10.915 3.758 1.00 0.00 C ATOM 448 O LYS A 29 -10.934 11.327 3.260 1.00 0.00 O ATOM 449 CB LYS A 29 -14.247 12.108 3.818 1.00 0.00 C ATOM 450 CG LYS A 29 -13.585 13.472 4.021 1.00 0.00 C ATOM 451 CD LYS A 29 -14.629 14.590 4.046 1.00 0.00 C ATOM 452 CE LYS A 29 -13.998 15.938 3.689 1.00 0.00 C ATOM 453 NZ LYS A 29 -14.960 17.038 3.923 1.00 0.00 N ATOM 0 H LYS A 29 -14.969 9.863 3.069 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.102 11.648 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.179 12.231 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.504 11.677 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.024 13.472 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.869 13.656 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.429 14.361 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.082 14.647 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.102 16.097 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.686 15.935 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.516 17.946 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.804 16.893 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.237 17.050 4.925 1.00 0.00 H new ATOM 467 N LEU A 30 -12.057 10.248 4.900 1.00 0.00 N ATOM 468 CA LEU A 30 -10.863 9.947 5.672 1.00 0.00 C ATOM 469 C LEU A 30 -9.847 9.236 4.775 1.00 0.00 C ATOM 470 O LEU A 30 -8.715 9.695 4.629 1.00 0.00 O ATOM 471 CB LEU A 30 -11.225 9.161 6.934 1.00 0.00 C ATOM 472 CG LEU A 30 -12.217 9.836 7.883 1.00 0.00 C ATOM 473 CD1 LEU A 30 -12.096 9.268 9.298 1.00 0.00 C ATOM 474 CD2 LEU A 30 -12.051 11.357 7.859 1.00 0.00 C ATOM 0 H LEU A 30 -12.927 9.908 5.309 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.393 10.866 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.638 8.199 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.308 8.955 7.486 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.226 9.617 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.812 9.765 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.303 8.198 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.086 9.435 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.768 11.812 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.039 11.617 8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.228 11.726 6.849 1.00 0.00 H new ATOM 486 N LEU A 31 -10.288 8.128 4.199 1.00 0.00 N ATOM 487 CA LEU A 31 -9.431 7.349 3.320 1.00 0.00 C ATOM 488 C LEU A 31 -8.798 8.276 2.280 1.00 0.00 C ATOM 489 O LEU A 31 -7.581 8.450 2.257 1.00 0.00 O ATOM 490 CB LEU A 31 -10.208 6.180 2.712 1.00 0.00 C ATOM 491 CG LEU A 31 -9.369 4.993 2.235 1.00 0.00 C ATOM 492 CD1 LEU A 31 -10.000 3.667 2.665 1.00 0.00 C ATOM 493 CD2 LEU A 31 -9.140 5.055 0.723 1.00 0.00 C ATOM 0 H LEU A 31 -11.227 7.750 4.323 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.615 6.898 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.922 5.820 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.786 6.554 1.867 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.391 5.054 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.384 2.840 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.068 3.632 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.999 3.583 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.541 4.200 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.101 5.033 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.615 5.977 0.472 1.00 0.00 H new ATOM 505 N LEU A 32 -9.654 8.845 1.443 1.00 0.00 N ATOM 506 CA LEU A 32 -9.194 9.749 0.403 1.00 0.00 C ATOM 507 C LEU A 32 -8.227 10.768 1.009 1.00 0.00 C ATOM 508 O LEU A 32 -7.397 11.339 0.303 1.00 0.00 O ATOM 509 CB LEU A 32 -10.384 10.385 -0.319 1.00 0.00 C ATOM 510 CG LEU A 32 -11.412 9.413 -0.901 1.00 0.00 C ATOM 511 CD1 LEU A 32 -12.723 10.132 -1.227 1.00 0.00 C ATOM 512 CD2 LEU A 32 -10.845 8.677 -2.116 1.00 0.00 C ATOM 0 H LEU A 32 -10.663 8.697 1.464 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.642 9.201 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.895 11.048 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.002 11.007 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.636 8.661 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.437 9.419 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.133 10.571 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.534 10.919 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.596 7.993 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.574 9.400 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.960 8.113 -1.820 1.00 0.00 H new ATOM 524 N GLN A 33 -8.365 10.964 2.312 1.00 0.00 N ATOM 525 CA GLN A 33 -7.514 11.904 3.022 1.00 0.00 C ATOM 526 C GLN A 33 -6.077 11.383 3.076 1.00 0.00 C ATOM 527 O GLN A 33 -5.159 12.026 2.568 1.00 0.00 O ATOM 528 CB GLN A 33 -8.051 12.178 4.428 1.00 0.00 C ATOM 529 CG GLN A 33 -7.998 13.671 4.755 1.00 0.00 C ATOM 530 CD GLN A 33 -7.925 13.899 6.266 1.00 0.00 C ATOM 531 OE1 GLN A 33 -6.893 13.734 6.896 1.00 0.00 O ATOM 532 NE2 GLN A 33 -9.075 14.287 6.811 1.00 0.00 N ATOM 0 H GLN A 33 -9.053 10.488 2.895 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.517 12.848 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.078 11.822 4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.465 11.621 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.130 14.122 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.881 14.167 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.902 14.406 6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.130 14.465 7.814 1.00 0.00 H new ATOM 541 N THR A 34 -5.926 10.221 3.696 1.00 0.00 N ATOM 542 CA THR A 34 -4.616 9.606 3.823 1.00 0.00 C ATOM 543 C THR A 34 -4.285 8.791 2.571 1.00 0.00 C ATOM 544 O THR A 34 -3.208 8.939 1.996 1.00 0.00 O ATOM 545 CB THR A 34 -4.606 8.775 5.108 1.00 0.00 C ATOM 546 OG1 THR A 34 -3.874 9.574 6.033 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.771 7.500 4.975 1.00 0.00 C ATOM 0 H THR A 34 -6.689 9.690 4.115 1.00 0.00 H new ATOM 0 HA THR A 34 -3.832 10.359 3.899 1.00 0.00 H new ATOM 0 HB THR A 34 -5.629 8.512 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.821 9.111 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.798 6.948 5.914 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.179 6.879 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.740 7.763 4.738 1.00 0.00 H new ATOM 555 N GLU A 35 -5.233 7.950 2.184 1.00 0.00 N ATOM 556 CA GLU A 35 -5.056 7.112 1.010 1.00 0.00 C ATOM 557 C GLU A 35 -4.528 7.943 -0.161 1.00 0.00 C ATOM 558 O GLU A 35 -3.448 7.670 -0.683 1.00 0.00 O ATOM 559 CB GLU A 35 -6.362 6.407 0.638 1.00 0.00 C ATOM 560 CG GLU A 35 -6.229 5.680 -0.702 1.00 0.00 C ATOM 561 CD GLU A 35 -5.410 4.396 -0.550 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.174 4.525 -0.414 1.00 0.00 O ATOM 563 OE2 GLU A 35 -6.038 3.316 -0.574 1.00 0.00 O ATOM 0 H GLU A 35 -6.126 7.831 2.662 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.320 6.343 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.630 5.694 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.170 7.136 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.219 5.440 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.752 6.336 -1.430 1.00 0.00 H new ATOM 570 N PHE A 36 -5.314 8.941 -0.538 1.00 0.00 N ATOM 571 CA PHE A 36 -4.939 9.814 -1.638 1.00 0.00 C ATOM 572 C PHE A 36 -5.542 11.208 -1.461 1.00 0.00 C ATOM 573 O PHE A 36 -6.650 11.473 -1.925 1.00 0.00 O ATOM 574 CB PHE A 36 -5.499 9.187 -2.917 1.00 0.00 C ATOM 575 CG PHE A 36 -4.773 7.914 -3.355 1.00 0.00 C ATOM 576 CD1 PHE A 36 -3.414 7.881 -3.382 1.00 0.00 C ATOM 577 CD2 PHE A 36 -5.487 6.815 -3.718 1.00 0.00 C ATOM 578 CE1 PHE A 36 -2.740 6.699 -3.789 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.813 5.633 -4.125 1.00 0.00 C ATOM 580 CZ PHE A 36 -3.454 5.600 -4.152 1.00 0.00 C ATOM 0 H PHE A 36 -6.208 9.165 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.855 9.919 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.554 8.958 -2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.445 9.919 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.847 8.754 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.566 6.841 -3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.661 6.673 -3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.380 4.760 -4.413 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.942 4.701 -4.462 1.00 0.00 H new ATOM 590 N PRO A 37 -4.767 12.086 -0.770 1.00 0.00 N ATOM 591 CA PRO A 37 -5.213 13.447 -0.525 1.00 0.00 C ATOM 592 C PRO A 37 -5.105 14.296 -1.794 1.00 0.00 C ATOM 593 O PRO A 37 -5.812 15.292 -1.941 1.00 0.00 O ATOM 594 CB PRO A 37 -4.333 13.953 0.605 1.00 0.00 C ATOM 595 CG PRO A 37 -3.125 13.031 0.638 1.00 0.00 C ATOM 596 CD PRO A 37 -3.450 11.808 -0.205 1.00 0.00 C ATOM 0 HA PRO A 37 -6.265 13.501 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.031 14.986 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.867 13.932 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.244 13.541 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.896 12.739 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.707 11.658 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.462 10.902 0.400 1.00 0.00 H new ATOM 604 N SER A 38 -4.213 13.871 -2.677 1.00 0.00 N ATOM 605 CA SER A 38 -4.003 14.579 -3.928 1.00 0.00 C ATOM 606 C SER A 38 -5.235 14.436 -4.824 1.00 0.00 C ATOM 607 O SER A 38 -5.567 15.348 -5.580 1.00 0.00 O ATOM 608 CB SER A 38 -2.757 14.063 -4.651 1.00 0.00 C ATOM 609 OG SER A 38 -2.170 15.060 -5.482 1.00 0.00 O ATOM 0 H SER A 38 -3.628 13.045 -2.551 1.00 0.00 H new ATOM 0 HA SER A 38 -3.847 15.634 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.025 13.727 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.022 13.197 -5.257 1.00 0.00 H new ATOM 0 HG SER A 38 -1.377 14.692 -5.924 1.00 0.00 H new ATOM 615 N LEU A 39 -5.879 13.283 -4.711 1.00 0.00 N ATOM 616 CA LEU A 39 -7.066 13.009 -5.502 1.00 0.00 C ATOM 617 C LEU A 39 -8.205 13.919 -5.037 1.00 0.00 C ATOM 618 O LEU A 39 -9.139 14.185 -5.791 1.00 0.00 O ATOM 619 CB LEU A 39 -7.410 11.519 -5.452 1.00 0.00 C ATOM 620 CG LEU A 39 -7.212 10.741 -6.754 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.250 11.150 -7.801 1.00 0.00 C ATOM 622 CD2 LEU A 39 -5.782 10.896 -7.274 1.00 0.00 C ATOM 0 H LEU A 39 -5.601 12.528 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.885 13.236 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.802 11.052 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.451 11.417 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.365 9.682 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.086 10.582 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.251 10.945 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.153 12.215 -8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.669 10.333 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.575 11.950 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.081 10.516 -6.530 1.00 0.00 H new ATOM 634 N LEU A 40 -8.089 14.372 -3.797 1.00 0.00 N ATOM 635 CA LEU A 40 -9.097 15.247 -3.223 1.00 0.00 C ATOM 636 C LEU A 40 -8.952 16.647 -3.822 1.00 0.00 C ATOM 637 O LEU A 40 -9.921 17.402 -3.887 1.00 0.00 O ATOM 638 CB LEU A 40 -9.022 15.220 -1.695 1.00 0.00 C ATOM 639 CG LEU A 40 -9.425 13.904 -1.026 1.00 0.00 C ATOM 640 CD1 LEU A 40 -9.049 13.905 0.456 1.00 0.00 C ATOM 641 CD2 LEU A 40 -10.912 13.613 -1.240 1.00 0.00 C ATOM 0 H LEU A 40 -7.312 14.149 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.097 14.894 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.001 15.458 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.661 16.013 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.867 13.096 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.346 12.959 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.971 14.033 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.561 14.724 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.172 12.672 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.506 14.420 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.118 13.540 -2.308 1.00 0.00 H new ATOM 653 N LYS A 41 -7.733 16.952 -4.244 1.00 0.00 N ATOM 654 CA LYS A 41 -7.449 18.248 -4.835 1.00 0.00 C ATOM 655 C LYS A 41 -8.106 18.331 -6.214 1.00 0.00 C ATOM 656 O LYS A 41 -8.449 19.417 -6.678 1.00 0.00 O ATOM 657 CB LYS A 41 -5.941 18.508 -4.856 1.00 0.00 C ATOM 658 CG LYS A 41 -5.299 17.911 -6.110 1.00 0.00 C ATOM 659 CD LYS A 41 -4.868 19.010 -7.082 1.00 0.00 C ATOM 660 CE LYS A 41 -5.988 19.337 -8.072 1.00 0.00 C ATOM 661 NZ LYS A 41 -5.428 19.632 -9.410 1.00 0.00 N ATOM 0 H LYS A 41 -6.931 16.324 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.879 19.045 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.753 19.581 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.481 18.076 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.434 17.310 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.006 17.243 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.597 19.907 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.979 18.691 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.680 18.497 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.560 20.193 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.202 19.852 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.786 20.448 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.902 18.804 -9.757 1.00 0.00 H new ATOM 675 N GLY A 42 -8.263 17.169 -6.830 1.00 0.00 N ATOM 676 CA GLY A 42 -8.874 17.096 -8.146 1.00 0.00 C ATOM 677 C GLY A 42 -10.096 18.011 -8.235 1.00 0.00 C ATOM 678 O GLY A 42 -10.585 18.501 -7.218 1.00 0.00 O ATOM 0 H GLY A 42 -7.978 16.270 -6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.146 17.381 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.169 16.068 -8.357 1.00 0.00 H new ATOM 682 N MET A 43 -10.556 18.215 -9.461 1.00 0.00 N ATOM 683 CA MET A 43 -11.712 19.063 -9.696 1.00 0.00 C ATOM 684 C MET A 43 -12.996 18.387 -9.209 1.00 0.00 C ATOM 685 O MET A 43 -14.070 18.984 -9.251 1.00 0.00 O ATOM 686 CB MET A 43 -11.829 19.364 -11.191 1.00 0.00 C ATOM 687 CG MET A 43 -10.576 20.075 -11.707 1.00 0.00 C ATOM 688 SD MET A 43 -10.662 20.255 -13.481 1.00 0.00 S ATOM 689 CE MET A 43 -9.171 21.193 -13.770 1.00 0.00 C ATOM 0 H MET A 43 -10.149 17.807 -10.302 1.00 0.00 H new ATOM 0 HA MET A 43 -11.578 19.990 -9.139 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.977 18.435 -11.742 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.705 19.986 -11.373 1.00 0.00 H new ATOM 0 HG2 MET A 43 -10.485 21.055 -11.238 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.687 19.507 -11.434 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.069 21.394 -14.836 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.223 22.136 -13.226 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.309 20.622 -13.424 1.00 0.00 H new ATOM 699 N SER A 44 -12.841 17.151 -8.759 1.00 0.00 N ATOM 700 CA SER A 44 -13.975 16.388 -8.265 1.00 0.00 C ATOM 701 C SER A 44 -14.091 16.546 -6.747 1.00 0.00 C ATOM 702 O SER A 44 -13.390 15.873 -5.994 1.00 0.00 O ATOM 703 CB SER A 44 -13.846 14.909 -8.635 1.00 0.00 C ATOM 704 OG SER A 44 -14.115 14.679 -10.015 1.00 0.00 O ATOM 0 H SER A 44 -11.948 16.659 -8.726 1.00 0.00 H new ATOM 0 HA SER A 44 -14.879 16.776 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.840 14.563 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.536 14.322 -8.028 1.00 0.00 H new ATOM 0 HG SER A 44 -14.021 13.724 -10.212 1.00 0.00 H new ATOM 710 N THR A 45 -14.982 17.441 -6.345 1.00 0.00 N ATOM 711 CA THR A 45 -15.199 17.697 -4.931 1.00 0.00 C ATOM 712 C THR A 45 -15.638 16.416 -4.219 1.00 0.00 C ATOM 713 O THR A 45 -15.962 15.421 -4.866 1.00 0.00 O ATOM 714 CB THR A 45 -16.211 18.837 -4.807 1.00 0.00 C ATOM 715 OG1 THR A 45 -17.396 18.317 -5.403 1.00 0.00 O ATOM 716 CG2 THR A 45 -15.850 20.039 -5.684 1.00 0.00 C ATOM 0 H THR A 45 -15.562 17.997 -6.973 1.00 0.00 H new ATOM 0 HA THR A 45 -14.277 18.006 -4.439 1.00 0.00 H new ATOM 0 HB THR A 45 -16.275 19.153 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 45 -18.105 18.992 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.600 20.819 -5.558 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.874 20.424 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.819 19.731 -6.729 1.00 0.00 H new ATOM 724 N LEU A 46 -15.633 16.481 -2.895 1.00 0.00 N ATOM 725 CA LEU A 46 -16.026 15.339 -2.088 1.00 0.00 C ATOM 726 C LEU A 46 -17.380 14.818 -2.574 1.00 0.00 C ATOM 727 O LEU A 46 -17.477 13.692 -3.060 1.00 0.00 O ATOM 728 CB LEU A 46 -16.004 15.701 -0.601 1.00 0.00 C ATOM 729 CG LEU A 46 -15.786 14.538 0.369 1.00 0.00 C ATOM 730 CD1 LEU A 46 -17.095 13.793 0.635 1.00 0.00 C ATOM 731 CD2 LEU A 46 -14.686 13.601 -0.136 1.00 0.00 C ATOM 0 H LEU A 46 -15.363 17.307 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 46 -15.310 14.525 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -15.216 16.437 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.948 16.185 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 46 -15.449 14.947 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -16.912 12.971 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -17.822 14.479 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -17.485 13.397 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.551 12.783 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.970 13.197 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.752 14.155 -0.232 1.00 0.00 H new ATOM 743 N ASP A 47 -18.390 15.662 -2.426 1.00 0.00 N ATOM 744 CA ASP A 47 -19.734 15.301 -2.844 1.00 0.00 C ATOM 745 C ASP A 47 -19.674 14.636 -4.221 1.00 0.00 C ATOM 746 O ASP A 47 -20.241 13.563 -4.421 1.00 0.00 O ATOM 747 CB ASP A 47 -20.628 16.537 -2.954 1.00 0.00 C ATOM 748 CG ASP A 47 -21.394 16.897 -1.679 1.00 0.00 C ATOM 749 OD1 ASP A 47 -20.874 16.566 -0.592 1.00 0.00 O ATOM 750 OD2 ASP A 47 -22.482 17.496 -1.821 1.00 0.00 O ATOM 0 H ASP A 47 -18.305 16.595 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.148 14.623 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.011 17.388 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.346 16.377 -3.758 1.00 0.00 H new ATOM 755 N GLU A 48 -18.983 15.302 -5.134 1.00 0.00 N ATOM 756 CA GLU A 48 -18.842 14.790 -6.486 1.00 0.00 C ATOM 757 C GLU A 48 -18.273 13.370 -6.459 1.00 0.00 C ATOM 758 O GLU A 48 -18.768 12.485 -7.155 1.00 0.00 O ATOM 759 CB GLU A 48 -17.967 15.715 -7.334 1.00 0.00 C ATOM 760 CG GLU A 48 -18.798 16.428 -8.404 1.00 0.00 C ATOM 761 CD GLU A 48 -17.949 16.748 -9.635 1.00 0.00 C ATOM 762 OE1 GLU A 48 -17.082 17.640 -9.511 1.00 0.00 O ATOM 763 OE2 GLU A 48 -18.186 16.093 -10.674 1.00 0.00 O ATOM 0 H GLU A 48 -18.515 16.192 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.830 14.756 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.483 16.452 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.175 15.137 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.641 15.800 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.212 17.349 -7.994 1.00 0.00 H new ATOM 770 N LEU A 49 -17.239 13.197 -5.648 1.00 0.00 N ATOM 771 CA LEU A 49 -16.597 11.899 -5.521 1.00 0.00 C ATOM 772 C LEU A 49 -17.586 10.903 -4.912 1.00 0.00 C ATOM 773 O LEU A 49 -17.669 9.757 -5.351 1.00 0.00 O ATOM 774 CB LEU A 49 -15.288 12.023 -4.739 1.00 0.00 C ATOM 775 CG LEU A 49 -14.091 11.260 -5.310 1.00 0.00 C ATOM 776 CD1 LEU A 49 -13.296 12.135 -6.281 1.00 0.00 C ATOM 777 CD2 LEU A 49 -13.211 10.703 -4.189 1.00 0.00 C ATOM 0 H LEU A 49 -16.830 13.933 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.320 11.513 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.024 13.079 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.462 11.677 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.467 10.409 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.451 11.569 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.940 12.442 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.930 13.019 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.367 10.165 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.841 11.524 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.797 10.022 -3.571 1.00 0.00 H new ATOM 789 N PHE A 50 -18.311 11.377 -3.909 1.00 0.00 N ATOM 790 CA PHE A 50 -19.291 10.542 -3.234 1.00 0.00 C ATOM 791 C PHE A 50 -20.357 10.047 -4.214 1.00 0.00 C ATOM 792 O PHE A 50 -20.616 8.848 -4.302 1.00 0.00 O ATOM 793 CB PHE A 50 -19.959 11.411 -2.167 1.00 0.00 C ATOM 794 CG PHE A 50 -20.911 10.643 -1.247 1.00 0.00 C ATOM 795 CD1 PHE A 50 -20.578 9.400 -0.808 1.00 0.00 C ATOM 796 CD2 PHE A 50 -22.090 11.205 -0.867 1.00 0.00 C ATOM 797 CE1 PHE A 50 -21.461 8.688 0.046 1.00 0.00 C ATOM 798 CE2 PHE A 50 -22.973 10.493 -0.013 1.00 0.00 C ATOM 799 CZ PHE A 50 -22.640 9.249 0.425 1.00 0.00 C ATOM 0 H PHE A 50 -18.240 12.328 -3.548 1.00 0.00 H new ATOM 0 HA PHE A 50 -18.802 9.670 -2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -19.186 11.883 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -20.512 12.212 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -19.642 8.954 -1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -22.354 12.193 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -21.196 7.701 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -23.909 10.939 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 50 -23.312 8.707 1.074 1.00 0.00 H new ATOM 809 N GLU A 51 -20.946 10.997 -4.926 1.00 0.00 N ATOM 810 CA GLU A 51 -21.979 10.672 -5.896 1.00 0.00 C ATOM 811 C GLU A 51 -21.365 9.974 -7.111 1.00 0.00 C ATOM 812 O GLU A 51 -21.922 9.004 -7.621 1.00 0.00 O ATOM 813 CB GLU A 51 -22.750 11.925 -6.315 1.00 0.00 C ATOM 814 CG GLU A 51 -24.139 11.954 -5.674 1.00 0.00 C ATOM 815 CD GLU A 51 -25.002 13.060 -6.286 1.00 0.00 C ATOM 816 OE1 GLU A 51 -24.731 14.236 -5.961 1.00 0.00 O ATOM 817 OE2 GLU A 51 -25.914 12.703 -7.064 1.00 0.00 O ATOM 0 H GLU A 51 -20.728 11.991 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 51 -22.688 9.988 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -22.192 12.814 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.846 11.951 -7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.627 10.989 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.045 12.114 -4.600 1.00 0.00 H new ATOM 824 N GLU A 52 -20.225 10.496 -7.540 1.00 0.00 N ATOM 825 CA GLU A 52 -19.529 9.935 -8.686 1.00 0.00 C ATOM 826 C GLU A 52 -19.147 8.478 -8.414 1.00 0.00 C ATOM 827 O GLU A 52 -19.541 7.581 -9.157 1.00 0.00 O ATOM 828 CB GLU A 52 -18.296 10.768 -9.040 1.00 0.00 C ATOM 829 CG GLU A 52 -17.583 10.197 -10.268 1.00 0.00 C ATOM 830 CD GLU A 52 -16.064 10.301 -10.118 1.00 0.00 C ATOM 831 OE1 GLU A 52 -15.522 11.345 -10.540 1.00 0.00 O ATOM 832 OE2 GLU A 52 -15.479 9.333 -9.585 1.00 0.00 O ATOM 0 H GLU A 52 -19.766 11.301 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.202 9.960 -9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.592 11.799 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.610 10.787 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.868 9.154 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.902 10.735 -11.161 1.00 0.00 H new ATOM 839 N LEU A 53 -18.386 8.289 -7.346 1.00 0.00 N ATOM 840 CA LEU A 53 -17.946 6.957 -6.967 1.00 0.00 C ATOM 841 C LEU A 53 -19.160 6.028 -6.886 1.00 0.00 C ATOM 842 O LEU A 53 -19.182 4.973 -7.518 1.00 0.00 O ATOM 843 CB LEU A 53 -17.126 7.010 -5.677 1.00 0.00 C ATOM 844 CG LEU A 53 -15.861 7.870 -5.722 1.00 0.00 C ATOM 845 CD1 LEU A 53 -15.532 8.434 -4.338 1.00 0.00 C ATOM 846 CD2 LEU A 53 -14.687 7.088 -6.315 1.00 0.00 C ATOM 0 H LEU A 53 -18.063 9.036 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 53 -17.279 6.546 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -17.767 7.382 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -16.841 5.993 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 53 -16.048 8.719 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.629 9.041 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -16.361 9.050 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.372 7.613 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.801 7.722 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.490 6.208 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.933 6.776 -7.330 1.00 0.00 H new ATOM 858 N ASP A 54 -20.140 6.454 -6.103 1.00 0.00 N ATOM 859 CA ASP A 54 -21.353 5.674 -5.931 1.00 0.00 C ATOM 860 C ASP A 54 -22.111 5.619 -7.260 1.00 0.00 C ATOM 861 O ASP A 54 -23.006 6.427 -7.502 1.00 0.00 O ATOM 862 CB ASP A 54 -22.274 6.311 -4.888 1.00 0.00 C ATOM 863 CG ASP A 54 -23.163 5.327 -4.124 1.00 0.00 C ATOM 864 OD1 ASP A 54 -22.809 4.128 -4.119 1.00 0.00 O ATOM 865 OD2 ASP A 54 -24.176 5.796 -3.563 1.00 0.00 O ATOM 0 H ASP A 54 -20.118 7.330 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.068 4.676 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.662 6.858 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.911 7.042 -5.386 1.00 0.00 H new ATOM 870 N LYS A 55 -21.724 4.657 -8.085 1.00 0.00 N ATOM 871 CA LYS A 55 -22.356 4.485 -9.382 1.00 0.00 C ATOM 872 C LYS A 55 -23.401 3.371 -9.293 1.00 0.00 C ATOM 873 O LYS A 55 -24.144 3.134 -10.243 1.00 0.00 O ATOM 874 CB LYS A 55 -21.300 4.253 -10.465 1.00 0.00 C ATOM 875 CG LYS A 55 -20.590 2.914 -10.260 1.00 0.00 C ATOM 876 CD LYS A 55 -21.203 1.826 -11.145 1.00 0.00 C ATOM 877 CE LYS A 55 -20.626 0.451 -10.802 1.00 0.00 C ATOM 878 NZ LYS A 55 -21.185 -0.584 -11.701 1.00 0.00 N ATOM 0 H LYS A 55 -20.981 3.989 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 55 -22.884 5.394 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.771 4.272 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -20.570 5.062 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.530 3.021 -10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.660 2.618 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -22.285 1.813 -11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.011 2.054 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.540 0.473 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.854 0.203 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.783 -1.511 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.219 -0.615 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.946 -0.354 -12.687 1.00 0.00 H new ATOM 892 N ASN A 56 -23.423 2.716 -8.141 1.00 0.00 N ATOM 893 CA ASN A 56 -24.364 1.632 -7.915 1.00 0.00 C ATOM 894 C ASN A 56 -25.730 2.217 -7.547 1.00 0.00 C ATOM 895 O ASN A 56 -26.733 1.505 -7.542 1.00 0.00 O ATOM 896 CB ASN A 56 -23.907 0.737 -6.761 1.00 0.00 C ATOM 897 CG ASN A 56 -23.057 -0.427 -7.274 1.00 0.00 C ATOM 898 OD1 ASN A 56 -21.880 -0.547 -6.980 1.00 0.00 O ATOM 899 ND2 ASN A 56 -23.718 -1.276 -8.056 1.00 0.00 N ATOM 0 H ASN A 56 -22.805 2.915 -7.355 1.00 0.00 H new ATOM 0 HA ASN A 56 -24.423 1.040 -8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -23.331 1.325 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -24.777 0.351 -6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -23.239 -2.086 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -24.704 -1.117 -8.263 1.00 0.00 H new ATOM 906 N GLY A 57 -25.724 3.507 -7.248 1.00 0.00 N ATOM 907 CA GLY A 57 -26.950 4.196 -6.880 1.00 0.00 C ATOM 908 C GLY A 57 -27.572 3.575 -5.628 1.00 0.00 C ATOM 909 O GLY A 57 -28.751 3.224 -5.626 1.00 0.00 O ATOM 0 H GLY A 57 -24.890 4.094 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.739 5.250 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -27.660 4.148 -7.705 1.00 0.00 H new ATOM 913 N ASP A 58 -26.752 3.458 -4.594 1.00 0.00 N ATOM 914 CA ASP A 58 -27.208 2.886 -3.339 1.00 0.00 C ATOM 915 C ASP A 58 -26.829 3.822 -2.189 1.00 0.00 C ATOM 916 O ASP A 58 -27.690 4.252 -1.424 1.00 0.00 O ATOM 917 CB ASP A 58 -26.549 1.529 -3.081 1.00 0.00 C ATOM 918 CG ASP A 58 -25.041 1.485 -3.331 1.00 0.00 C ATOM 919 OD1 ASP A 58 -24.627 1.993 -4.396 1.00 0.00 O ATOM 920 OD2 ASP A 58 -24.335 0.943 -2.453 1.00 0.00 O ATOM 0 H ASP A 58 -25.775 3.750 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 58 -28.289 2.757 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -26.739 1.240 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -27.029 0.783 -3.714 1.00 0.00 H new ATOM 925 N GLY A 59 -25.538 4.110 -2.104 1.00 0.00 N ATOM 926 CA GLY A 59 -25.034 4.987 -1.061 1.00 0.00 C ATOM 927 C GLY A 59 -23.752 4.424 -0.444 1.00 0.00 C ATOM 928 O GLY A 59 -23.087 5.101 0.339 1.00 0.00 O ATOM 0 H GLY A 59 -24.826 3.751 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -24.839 5.976 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -25.791 5.110 -0.287 1.00 0.00 H new ATOM 932 N GLU A 60 -23.444 3.192 -0.820 1.00 0.00 N ATOM 933 CA GLU A 60 -22.253 2.531 -0.313 1.00 0.00 C ATOM 934 C GLU A 60 -21.187 2.447 -1.407 1.00 0.00 C ATOM 935 O GLU A 60 -21.479 2.054 -2.535 1.00 0.00 O ATOM 936 CB GLU A 60 -22.588 1.142 0.235 1.00 0.00 C ATOM 937 CG GLU A 60 -23.785 1.201 1.185 1.00 0.00 C ATOM 938 CD GLU A 60 -23.741 2.467 2.044 1.00 0.00 C ATOM 939 OE1 GLU A 60 -22.655 2.736 2.603 1.00 0.00 O ATOM 940 OE2 GLU A 60 -24.794 3.136 2.124 1.00 0.00 O ATOM 0 H GLU A 60 -23.998 2.634 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 60 -21.855 3.123 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -22.808 0.465 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -21.723 0.736 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -24.711 1.179 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -23.787 0.321 1.828 1.00 0.00 H new ATOM 947 N VAL A 61 -19.972 2.822 -1.034 1.00 0.00 N ATOM 948 CA VAL A 61 -18.860 2.794 -1.970 1.00 0.00 C ATOM 949 C VAL A 61 -17.947 1.614 -1.634 1.00 0.00 C ATOM 950 O VAL A 61 -16.773 1.803 -1.318 1.00 0.00 O ATOM 951 CB VAL A 61 -18.130 4.138 -1.955 1.00 0.00 C ATOM 952 CG1 VAL A 61 -16.825 4.062 -2.750 1.00 0.00 C ATOM 953 CG2 VAL A 61 -19.029 5.257 -2.484 1.00 0.00 C ATOM 0 H VAL A 61 -19.733 3.147 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 61 -19.221 2.647 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.879 4.371 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.326 5.031 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -16.174 3.306 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -17.044 3.795 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -18.485 6.201 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.325 5.032 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.918 5.336 -1.858 1.00 0.00 H new ATOM 963 N SER A 62 -18.520 0.422 -1.714 1.00 0.00 N ATOM 964 CA SER A 62 -17.772 -0.789 -1.422 1.00 0.00 C ATOM 965 C SER A 62 -16.455 -0.791 -2.201 1.00 0.00 C ATOM 966 O SER A 62 -16.168 0.146 -2.945 1.00 0.00 O ATOM 967 CB SER A 62 -18.590 -2.037 -1.761 1.00 0.00 C ATOM 968 OG SER A 62 -19.892 -1.709 -2.236 1.00 0.00 O ATOM 0 H SER A 62 -19.494 0.269 -1.977 1.00 0.00 H new ATOM 0 HA SER A 62 -17.556 -0.808 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.065 -2.620 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.675 -2.666 -0.875 1.00 0.00 H new ATOM 0 HG SER A 62 -20.439 -1.381 -1.492 1.00 0.00 H new ATOM 974 N PHE A 63 -15.689 -1.854 -2.003 1.00 0.00 N ATOM 975 CA PHE A 63 -14.409 -1.990 -2.678 1.00 0.00 C ATOM 976 C PHE A 63 -14.596 -2.097 -4.192 1.00 0.00 C ATOM 977 O PHE A 63 -13.665 -1.845 -4.956 1.00 0.00 O ATOM 978 CB PHE A 63 -13.766 -3.279 -2.162 1.00 0.00 C ATOM 979 CG PHE A 63 -12.314 -3.471 -2.605 1.00 0.00 C ATOM 980 CD1 PHE A 63 -11.393 -2.503 -2.353 1.00 0.00 C ATOM 981 CD2 PHE A 63 -11.945 -4.610 -3.250 1.00 0.00 C ATOM 982 CE1 PHE A 63 -10.046 -2.681 -2.764 1.00 0.00 C ATOM 983 CE2 PHE A 63 -10.597 -4.788 -3.661 1.00 0.00 C ATOM 984 CZ PHE A 63 -9.676 -3.820 -3.409 1.00 0.00 C ATOM 0 H PHE A 63 -15.930 -2.629 -1.385 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.788 -1.117 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -13.806 -3.282 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -14.355 -4.129 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.686 -1.599 -1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.677 -5.379 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.315 -1.912 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.304 -5.692 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.651 -3.955 -3.721 1.00 0.00 H new ATOM 994 N GLU A 64 -15.806 -2.472 -4.582 1.00 0.00 N ATOM 995 CA GLU A 64 -16.127 -2.616 -5.992 1.00 0.00 C ATOM 996 C GLU A 64 -16.048 -1.260 -6.695 1.00 0.00 C ATOM 997 O GLU A 64 -15.339 -1.113 -7.690 1.00 0.00 O ATOM 998 CB GLU A 64 -17.507 -3.250 -6.178 1.00 0.00 C ATOM 999 CG GLU A 64 -17.843 -4.184 -5.013 1.00 0.00 C ATOM 1000 CD GLU A 64 -16.602 -4.950 -4.549 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -15.952 -5.561 -5.425 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -16.332 -4.909 -3.330 1.00 0.00 O ATOM 0 H GLU A 64 -16.576 -2.680 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.393 -3.282 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.263 -2.468 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.532 -3.807 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -18.249 -3.605 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -18.617 -4.889 -5.318 1.00 0.00 H new ATOM 1009 N GLU A 65 -16.785 -0.303 -6.151 1.00 0.00 N ATOM 1010 CA GLU A 65 -16.807 1.036 -6.715 1.00 0.00 C ATOM 1011 C GLU A 65 -15.444 1.708 -6.540 1.00 0.00 C ATOM 1012 O GLU A 65 -15.085 2.600 -7.307 1.00 0.00 O ATOM 1013 CB GLU A 65 -17.919 1.878 -6.084 1.00 0.00 C ATOM 1014 CG GLU A 65 -19.297 1.305 -6.418 1.00 0.00 C ATOM 1015 CD GLU A 65 -20.408 2.275 -6.011 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -20.356 2.744 -4.853 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -21.283 2.526 -6.867 1.00 0.00 O ATOM 0 H GLU A 65 -17.371 -0.428 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.017 0.957 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.787 1.910 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.851 2.905 -6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.361 1.101 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.434 0.354 -5.904 1.00 0.00 H new ATOM 1024 N PHE A 66 -14.722 1.255 -5.526 1.00 0.00 N ATOM 1025 CA PHE A 66 -13.406 1.801 -5.240 1.00 0.00 C ATOM 1026 C PHE A 66 -12.466 1.618 -6.434 1.00 0.00 C ATOM 1027 O PHE A 66 -11.663 2.499 -6.736 1.00 0.00 O ATOM 1028 CB PHE A 66 -12.850 1.025 -4.045 1.00 0.00 C ATOM 1029 CG PHE A 66 -11.612 1.663 -3.410 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -11.662 2.947 -2.965 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -10.463 0.946 -3.292 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -10.513 3.540 -2.376 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -9.314 1.539 -2.703 1.00 0.00 C ATOM 1034 CZ PHE A 66 -9.364 2.823 -2.258 1.00 0.00 C ATOM 0 H PHE A 66 -15.024 0.515 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 66 -13.483 2.868 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.629 0.936 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -12.601 0.014 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.575 3.516 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.424 -0.074 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.552 4.560 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.401 0.970 -2.609 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.490 3.273 -1.811 1.00 0.00 H new ATOM 1044 N GLN A 67 -12.598 0.469 -7.080 1.00 0.00 N ATOM 1045 CA GLN A 67 -11.771 0.160 -8.233 1.00 0.00 C ATOM 1046 C GLN A 67 -11.998 1.190 -9.341 1.00 0.00 C ATOM 1047 O GLN A 67 -11.223 1.264 -10.294 1.00 0.00 O ATOM 1048 CB GLN A 67 -12.043 -1.258 -8.739 1.00 0.00 C ATOM 1049 CG GLN A 67 -12.038 -2.262 -7.584 1.00 0.00 C ATOM 1050 CD GLN A 67 -11.908 -3.695 -8.104 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -12.800 -4.516 -7.967 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -10.751 -3.949 -8.708 1.00 0.00 N ATOM 0 H GLN A 67 -13.266 -0.259 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.726 0.208 -7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.007 -1.288 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.287 -1.538 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.212 -2.040 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.957 -2.163 -7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.046 -3.216 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.568 -4.877 -9.090 1.00 0.00 H new ATOM 1061 N VAL A 68 -13.064 1.960 -9.180 1.00 0.00 N ATOM 1062 CA VAL A 68 -13.403 2.983 -10.155 1.00 0.00 C ATOM 1063 C VAL A 68 -12.463 4.177 -9.982 1.00 0.00 C ATOM 1064 O VAL A 68 -12.071 4.809 -10.962 1.00 0.00 O ATOM 1065 CB VAL A 68 -14.880 3.361 -10.024 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -15.306 4.306 -11.149 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -15.765 2.113 -9.992 1.00 0.00 C ATOM 0 H VAL A 68 -13.705 1.896 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.266 2.606 -11.168 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.008 3.887 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.360 4.559 -11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.707 5.216 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.155 3.817 -12.112 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.810 2.410 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.630 1.547 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.487 1.491 -9.141 1.00 0.00 H new ATOM 1077 N LEU A 69 -12.128 4.450 -8.730 1.00 0.00 N ATOM 1078 CA LEU A 69 -11.241 5.558 -8.417 1.00 0.00 C ATOM 1079 C LEU A 69 -9.806 5.177 -8.788 1.00 0.00 C ATOM 1080 O LEU A 69 -9.043 6.012 -9.270 1.00 0.00 O ATOM 1081 CB LEU A 69 -11.407 5.981 -6.956 1.00 0.00 C ATOM 1082 CG LEU A 69 -10.971 7.408 -6.617 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -11.412 8.389 -7.705 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -11.475 7.821 -5.233 1.00 0.00 C ATOM 0 H LEU A 69 -12.455 3.923 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.502 6.435 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.456 5.868 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.839 5.291 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.882 7.434 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.090 9.396 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.963 8.103 -8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.498 8.368 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.151 8.839 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.564 7.775 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.069 7.144 -4.481 1.00 0.00 H new ATOM 1096 N VAL A 70 -9.483 3.914 -8.548 1.00 0.00 N ATOM 1097 CA VAL A 70 -8.153 3.412 -8.851 1.00 0.00 C ATOM 1098 C VAL A 70 -7.790 3.780 -10.291 1.00 0.00 C ATOM 1099 O VAL A 70 -6.612 3.846 -10.640 1.00 0.00 O ATOM 1100 CB VAL A 70 -8.088 1.907 -8.583 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -7.025 1.240 -9.459 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -7.835 1.624 -7.101 1.00 0.00 C ATOM 0 H VAL A 70 -10.119 3.224 -8.148 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.412 3.876 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.055 1.478 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.999 0.171 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.268 1.398 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.050 1.676 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.793 0.547 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.888 2.073 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.643 2.050 -6.506 1.00 0.00 H new ATOM 1112 N LYS A 71 -8.823 4.009 -11.088 1.00 0.00 N ATOM 1113 CA LYS A 71 -8.627 4.368 -12.483 1.00 0.00 C ATOM 1114 C LYS A 71 -8.048 5.782 -12.564 1.00 0.00 C ATOM 1115 O LYS A 71 -7.075 6.018 -13.278 1.00 0.00 O ATOM 1116 CB LYS A 71 -9.927 4.189 -13.270 1.00 0.00 C ATOM 1117 CG LYS A 71 -9.669 3.479 -14.600 1.00 0.00 C ATOM 1118 CD LYS A 71 -10.631 3.974 -15.682 1.00 0.00 C ATOM 1119 CE LYS A 71 -10.048 3.749 -17.078 1.00 0.00 C ATOM 1120 NZ LYS A 71 -10.933 4.336 -18.110 1.00 0.00 N ATOM 0 H LYS A 71 -9.798 3.953 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.904 3.700 -12.951 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.638 3.613 -12.678 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.381 5.162 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.640 3.653 -14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.785 2.403 -14.470 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.584 3.452 -15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.834 5.035 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.057 4.199 -17.142 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.926 2.681 -17.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.523 4.174 -19.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.870 3.888 -18.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.029 5.358 -17.945 1.00 0.00 H new ATOM 1134 N LYS A 72 -8.672 6.686 -11.824 1.00 0.00 N ATOM 1135 CA LYS A 72 -8.232 8.070 -11.803 1.00 0.00 C ATOM 1136 C LYS A 72 -6.883 8.161 -11.086 1.00 0.00 C ATOM 1137 O LYS A 72 -6.050 8.999 -11.427 1.00 0.00 O ATOM 1138 CB LYS A 72 -9.312 8.968 -11.197 1.00 0.00 C ATOM 1139 CG LYS A 72 -10.576 8.963 -12.059 1.00 0.00 C ATOM 1140 CD LYS A 72 -11.449 7.746 -11.745 1.00 0.00 C ATOM 1141 CE LYS A 72 -12.907 8.003 -12.131 1.00 0.00 C ATOM 1142 NZ LYS A 72 -13.088 7.868 -13.593 1.00 0.00 N ATOM 0 H LYS A 72 -9.480 6.487 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.080 8.436 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.552 8.625 -10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.934 9.986 -11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.143 9.877 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.301 8.956 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.074 6.876 -12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.386 7.513 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.556 7.298 -11.612 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.203 9.003 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.083 8.046 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.483 8.557 -14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.826 6.906 -13.888 1.00 0.00 H new ATOM 1156 N ILE A 73 -6.710 7.287 -10.106 1.00 0.00 N ATOM 1157 CA ILE A 73 -5.477 7.258 -9.338 1.00 0.00 C ATOM 1158 C ILE A 73 -4.369 6.626 -10.184 1.00 0.00 C ATOM 1159 O ILE A 73 -3.199 6.657 -9.805 1.00 0.00 O ATOM 1160 CB ILE A 73 -5.699 6.560 -7.995 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -6.760 7.288 -7.167 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -4.381 6.409 -7.231 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -7.590 6.298 -6.347 1.00 0.00 C ATOM 0 H ILE A 73 -7.403 6.593 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.155 8.271 -9.095 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.076 5.556 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.279 8.004 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.414 7.857 -7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.567 5.910 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.684 5.815 -7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.953 7.394 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.337 6.841 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.089 5.599 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.936 5.748 -5.671 1.00 0.00 H new ATOM 1175 N SER A 74 -4.777 6.067 -11.314 1.00 0.00 N ATOM 1176 CA SER A 74 -3.834 5.429 -12.216 1.00 0.00 C ATOM 1177 C SER A 74 -3.308 6.448 -13.230 1.00 0.00 C ATOM 1178 O SER A 74 -2.107 6.511 -13.486 1.00 0.00 O ATOM 1179 CB SER A 74 -4.478 4.245 -12.939 1.00 0.00 C ATOM 1180 OG SER A 74 -5.241 4.660 -14.069 1.00 0.00 O ATOM 0 H SER A 74 -5.748 6.043 -11.625 1.00 0.00 H new ATOM 0 HA SER A 74 -3.000 5.049 -11.626 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.702 3.551 -13.261 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.122 3.704 -12.246 1.00 0.00 H new ATOM 0 HG SER A 74 -6.178 4.774 -13.807 1.00 0.00 H new ATOM 1186 N GLN A 75 -4.234 7.220 -13.779 1.00 0.00 N ATOM 1187 CA GLN A 75 -3.879 8.232 -14.759 1.00 0.00 C ATOM 1188 C GLN A 75 -3.115 9.375 -14.088 1.00 0.00 C ATOM 1189 O GLN A 75 -1.885 9.393 -14.095 1.00 0.00 O ATOM 1190 CB GLN A 75 -5.122 8.754 -15.483 1.00 0.00 C ATOM 1191 CG GLN A 75 -4.946 8.674 -17.001 1.00 0.00 C ATOM 1192 CD GLN A 75 -5.315 7.283 -17.522 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -4.522 6.596 -18.146 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -6.558 6.909 -17.234 1.00 0.00 N ATOM 0 H GLN A 75 -5.230 7.165 -13.564 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.229 7.775 -15.505 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.993 8.172 -15.183 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.312 9.786 -15.189 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.572 9.425 -17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.913 8.903 -17.264 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.169 7.533 -16.708 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.900 5.998 -17.539 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -22.770 1.085 -4.132 1.00 0.00 LA