USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 2 SER OG : rot 32:sc= 0.0945 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.025 (180deg=-0.405) USER MOD Single : A 5 GLN : amide:sc= 0.249 K(o=0.25,f=-4.6!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ 180:sc= -0.54 (180deg=-0.54) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 33 ASN : amide:sc=-0.000645 K(o=-0.00065,f=-2.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -46:sc= 1.17 USER MOD Single : A 36 SER OG : rot -52:sc= 0.0871 USER MOD Single : A 38 SER OG : rot -111:sc= 0.18 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 46 ASN : amide:sc= -2.81! X(o=-2.8!,f=-2.9) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.35 (180deg=-1.36!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -47:sc= 0.713 USER MOD Single : A 68 ASN : amide:sc= -0.0831 X(o=-0.083,f=0) USER MOD Single : A 69 SER OG : rot -40:sc= 0.771 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -11.392 -6.085 -20.754 1.00 0.00 N ATOM 2 CA ILE A -2 -10.914 -7.495 -20.682 1.00 0.00 C ATOM 3 C ILE A -2 -11.633 -8.269 -19.580 1.00 0.00 C ATOM 4 O ILE A -2 -11.767 -9.490 -19.656 1.00 0.00 O ATOM 5 CB ILE A -2 -9.382 -7.586 -20.448 1.00 0.00 C ATOM 6 CG1 ILE A -2 -8.797 -6.223 -20.066 1.00 0.00 C ATOM 7 CG2 ILE A -2 -8.689 -8.130 -21.689 1.00 0.00 C ATOM 8 CD1 ILE A -2 -7.306 -6.250 -19.815 1.00 0.00 C ATOM 0 H1 ILE A -2 -10.885 -5.585 -21.512 1.00 0.00 H new ATOM 0 H2 ILE A -2 -12.412 -6.074 -20.954 1.00 0.00 H new ATOM 0 H3 ILE A -2 -11.212 -5.611 -19.846 1.00 0.00 H new ATOM 0 HA ILE A -2 -11.143 -7.941 -21.650 1.00 0.00 H new ATOM 0 HB ILE A -2 -9.209 -8.271 -19.618 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -9.009 -5.510 -20.863 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -9.301 -5.859 -19.170 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -7.615 -8.188 -21.510 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -9.074 -9.125 -21.914 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -8.881 -7.467 -22.533 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -6.964 -5.250 -19.550 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -7.087 -6.937 -18.998 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -6.791 -6.582 -20.716 1.00 0.00 H new ATOM 22 N SER A -1 -12.099 -7.555 -18.557 1.00 0.00 N ATOM 23 CA SER A -1 -12.807 -8.181 -17.442 1.00 0.00 C ATOM 24 C SER A -1 -11.845 -8.974 -16.563 1.00 0.00 C ATOM 25 O SER A -1 -10.965 -9.676 -17.062 1.00 0.00 O ATOM 26 CB SER A -1 -13.920 -9.100 -17.958 1.00 0.00 C ATOM 27 OG SER A -1 -15.016 -9.129 -17.059 1.00 0.00 O ATOM 0 H SER A -1 -11.999 -6.543 -18.477 1.00 0.00 H new ATOM 0 HA SER A -1 -13.253 -7.388 -16.842 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.257 -8.755 -18.936 1.00 0.00 H new ATOM 0 HB3 SER A -1 -13.530 -10.109 -18.093 1.00 0.00 H new ATOM 0 HG SER A -1 -15.713 -9.721 -17.412 1.00 0.00 H new ATOM 33 N SER A 2 -12.022 -8.857 -15.252 1.00 0.00 N ATOM 34 CA SER A 2 -11.171 -9.561 -14.302 1.00 0.00 C ATOM 35 C SER A 2 -11.956 -9.947 -13.050 1.00 0.00 C ATOM 36 O SER A 2 -12.562 -9.091 -12.404 1.00 0.00 O ATOM 37 CB SER A 2 -9.974 -8.691 -13.917 1.00 0.00 C ATOM 38 OG SER A 2 -10.393 -7.405 -13.496 1.00 0.00 O ATOM 0 H SER A 2 -12.747 -8.281 -14.824 1.00 0.00 H new ATOM 0 HA SER A 2 -10.812 -10.472 -14.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.412 -9.174 -13.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.300 -8.597 -14.769 1.00 0.00 H new ATOM 0 HG SER A 2 -11.266 -7.473 -13.055 1.00 0.00 H new ATOM 44 N PRO A 3 -11.951 -11.243 -12.677 1.00 0.00 N ATOM 45 CA PRO A 3 -12.664 -11.722 -11.491 1.00 0.00 C ATOM 46 C PRO A 3 -12.367 -10.872 -10.262 1.00 0.00 C ATOM 47 O PRO A 3 -11.369 -10.152 -10.220 1.00 0.00 O ATOM 48 CB PRO A 3 -12.153 -13.155 -11.288 1.00 0.00 C ATOM 49 CG PRO A 3 -11.054 -13.352 -12.280 1.00 0.00 C ATOM 50 CD PRO A 3 -11.252 -12.335 -13.366 1.00 0.00 C ATOM 0 HA PRO A 3 -13.744 -11.670 -11.628 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.789 -13.298 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.953 -13.879 -11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.080 -13.225 -11.806 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.081 -14.362 -12.689 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.302 -12.004 -13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.843 -12.735 -14.190 1.00 0.00 H new ATOM 58 N LYS A 4 -13.242 -10.956 -9.263 1.00 0.00 N ATOM 59 CA LYS A 4 -13.077 -10.182 -8.038 1.00 0.00 C ATOM 60 C LYS A 4 -13.186 -8.693 -8.345 1.00 0.00 C ATOM 61 O LYS A 4 -12.432 -8.164 -9.163 1.00 0.00 O ATOM 62 CB LYS A 4 -11.728 -10.485 -7.379 1.00 0.00 C ATOM 63 CG LYS A 4 -11.829 -11.418 -6.183 1.00 0.00 C ATOM 64 CD LYS A 4 -12.516 -10.743 -5.003 1.00 0.00 C ATOM 65 CE LYS A 4 -11.590 -10.632 -3.800 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.644 -9.280 -3.175 1.00 0.00 N ATOM 0 H LYS A 4 -14.070 -11.551 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.868 -10.464 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.063 -10.929 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.270 -9.548 -7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.384 -12.313 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.831 -11.741 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.851 -9.748 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.405 -11.310 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.865 -11.384 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.567 -10.848 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.367 -9.349 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.991 -8.641 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.612 -8.905 -3.241 1.00 0.00 H new ATOM 80 N GLN A 5 -14.127 -8.019 -7.691 1.00 0.00 N ATOM 81 CA GLN A 5 -14.322 -6.591 -7.908 1.00 0.00 C ATOM 82 C GLN A 5 -13.378 -5.781 -7.028 1.00 0.00 C ATOM 83 O GLN A 5 -12.410 -5.202 -7.520 1.00 0.00 O ATOM 84 CB GLN A 5 -15.779 -6.151 -7.660 1.00 0.00 C ATOM 85 CG GLN A 5 -16.649 -7.132 -6.878 1.00 0.00 C ATOM 86 CD GLN A 5 -17.236 -6.514 -5.621 1.00 0.00 C ATOM 87 OE1 GLN A 5 -16.508 -6.000 -4.771 1.00 0.00 O ATOM 88 NE2 GLN A 5 -18.557 -6.560 -5.499 1.00 0.00 N ATOM 0 H GLN A 5 -14.762 -8.436 -7.011 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.096 -6.399 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.765 -5.202 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.251 -5.966 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.458 -7.485 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.054 -8.004 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.122 -6.996 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.007 -6.159 -4.676 1.00 0.00 H new ATOM 97 N GLU A 6 -13.670 -5.741 -5.729 1.00 0.00 N ATOM 98 CA GLU A 6 -12.855 -4.996 -4.768 1.00 0.00 C ATOM 99 C GLU A 6 -12.431 -3.644 -5.334 1.00 0.00 C ATOM 100 O GLU A 6 -11.302 -3.478 -5.798 1.00 0.00 O ATOM 101 CB GLU A 6 -11.621 -5.809 -4.354 1.00 0.00 C ATOM 102 CG GLU A 6 -10.719 -6.212 -5.511 1.00 0.00 C ATOM 103 CD GLU A 6 -9.294 -6.478 -5.069 1.00 0.00 C ATOM 104 OE1 GLU A 6 -9.109 -7.069 -3.984 1.00 0.00 O ATOM 105 OE2 GLU A 6 -8.362 -6.093 -5.807 1.00 0.00 O ATOM 0 H GLU A 6 -14.470 -6.219 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.468 -4.818 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.039 -5.226 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.951 -6.709 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.121 -7.106 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.722 -5.422 -6.262 1.00 0.00 H new ATOM 112 N GLU A 7 -13.345 -2.678 -5.306 1.00 0.00 N ATOM 113 CA GLU A 7 -13.062 -1.357 -5.820 1.00 0.00 C ATOM 114 C GLU A 7 -11.883 -0.739 -5.079 1.00 0.00 C ATOM 115 O GLU A 7 -11.217 -1.407 -4.289 1.00 0.00 O ATOM 116 CB GLU A 7 -14.290 -0.437 -5.717 1.00 0.00 C ATOM 117 CG GLU A 7 -15.628 -1.136 -5.492 1.00 0.00 C ATOM 118 CD GLU A 7 -16.105 -1.032 -4.055 1.00 0.00 C ATOM 119 OE1 GLU A 7 -15.264 -1.145 -3.138 1.00 0.00 O ATOM 120 OE2 GLU A 7 -17.322 -0.833 -3.846 1.00 0.00 O ATOM 0 H GLU A 7 -14.286 -2.793 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.806 -1.461 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.127 0.265 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.358 0.150 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.377 -0.700 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.535 -2.187 -5.765 1.00 0.00 H new ATOM 127 N TYR A 8 -11.636 0.539 -5.334 1.00 0.00 N ATOM 128 CA TYR A 8 -10.534 1.248 -4.693 1.00 0.00 C ATOM 129 C TYR A 8 -10.654 1.199 -3.170 1.00 0.00 C ATOM 130 O TYR A 8 -11.190 2.117 -2.551 1.00 0.00 O ATOM 131 CB TYR A 8 -10.496 2.704 -5.171 1.00 0.00 C ATOM 132 CG TYR A 8 -9.109 3.304 -5.154 1.00 0.00 C ATOM 133 CD1 TYR A 8 -8.091 2.765 -5.933 1.00 0.00 C ATOM 134 CD2 TYR A 8 -8.814 4.401 -4.356 1.00 0.00 C ATOM 135 CE1 TYR A 8 -6.818 3.305 -5.915 1.00 0.00 C ATOM 136 CE2 TYR A 8 -7.546 4.946 -4.333 1.00 0.00 C ATOM 137 CZ TYR A 8 -6.551 4.395 -5.114 1.00 0.00 C ATOM 138 OH TYR A 8 -5.285 4.936 -5.094 1.00 0.00 O ATOM 0 H TYR A 8 -12.184 1.107 -5.980 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.605 0.752 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.895 2.757 -6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.151 3.304 -4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.298 1.912 -6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.590 4.835 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.037 2.875 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.334 5.800 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.265 5.699 -4.479 1.00 0.00 H new ATOM 148 N GLU A 9 -10.137 0.127 -2.572 1.00 0.00 N ATOM 149 CA GLU A 9 -10.178 -0.035 -1.120 1.00 0.00 C ATOM 150 C GLU A 9 -8.763 -0.089 -0.541 1.00 0.00 C ATOM 151 O GLU A 9 -8.218 0.936 -0.134 1.00 0.00 O ATOM 152 CB GLU A 9 -10.967 -1.292 -0.730 1.00 0.00 C ATOM 153 CG GLU A 9 -10.837 -2.444 -1.716 1.00 0.00 C ATOM 154 CD GLU A 9 -10.719 -3.789 -1.025 1.00 0.00 C ATOM 155 OE1 GLU A 9 -11.529 -4.061 -0.114 1.00 0.00 O ATOM 156 OE2 GLU A 9 -9.813 -4.567 -1.391 1.00 0.00 O ATOM 0 H GLU A 9 -9.686 -0.641 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.689 0.831 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.630 -1.629 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.020 -1.030 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.705 -2.453 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.961 -2.284 -2.344 1.00 0.00 H new ATOM 163 N VAL A 10 -8.164 -1.280 -0.516 1.00 0.00 N ATOM 164 CA VAL A 10 -6.812 -1.441 0.014 1.00 0.00 C ATOM 165 C VAL A 10 -5.771 -1.027 -1.030 1.00 0.00 C ATOM 166 O VAL A 10 -6.069 -0.255 -1.940 1.00 0.00 O ATOM 167 CB VAL A 10 -6.553 -2.900 0.465 1.00 0.00 C ATOM 168 CG1 VAL A 10 -7.647 -3.374 1.403 1.00 0.00 C ATOM 169 CG2 VAL A 10 -6.435 -3.843 -0.727 1.00 0.00 C ATOM 0 H VAL A 10 -8.592 -2.142 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.721 -0.792 0.885 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.602 -2.913 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.445 -4.401 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.674 -2.733 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.609 -3.329 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.254 -4.857 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.361 -3.820 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.606 -3.527 -1.361 1.00 0.00 H new ATOM 179 N GLU A 11 -4.553 -1.543 -0.893 1.00 0.00 N ATOM 180 CA GLU A 11 -3.473 -1.238 -1.821 1.00 0.00 C ATOM 181 C GLU A 11 -2.230 -2.033 -1.447 1.00 0.00 C ATOM 182 O GLU A 11 -2.215 -2.723 -0.426 1.00 0.00 O ATOM 183 CB GLU A 11 -3.162 0.262 -1.826 1.00 0.00 C ATOM 184 CG GLU A 11 -3.170 0.899 -0.446 1.00 0.00 C ATOM 185 CD GLU A 11 -3.825 2.267 -0.445 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.765 2.954 -1.485 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.398 2.649 0.598 1.00 0.00 O ATOM 0 H GLU A 11 -4.290 -2.180 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.790 -1.520 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.184 0.418 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.892 0.772 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.697 0.246 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.146 0.989 -0.084 1.00 0.00 H new ATOM 194 N ARG A 12 -1.193 -1.945 -2.268 1.00 0.00 N ATOM 195 CA ARG A 12 0.036 -2.674 -1.987 1.00 0.00 C ATOM 196 C ARG A 12 0.861 -1.941 -0.965 1.00 0.00 C ATOM 197 O ARG A 12 1.562 -2.536 -0.148 1.00 0.00 O ATOM 198 CB ARG A 12 0.855 -2.924 -3.277 1.00 0.00 C ATOM 199 CG ARG A 12 2.371 -2.865 -3.111 1.00 0.00 C ATOM 200 CD ARG A 12 2.920 -3.947 -2.196 1.00 0.00 C ATOM 201 NE ARG A 12 4.206 -3.580 -1.580 1.00 0.00 N ATOM 202 CZ ARG A 12 5.241 -2.982 -2.206 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.199 -2.672 -3.493 1.00 0.00 N ATOM 204 NH2 ARG A 12 6.336 -2.684 -1.522 1.00 0.00 N ATOM 0 H ARG A 12 -1.176 -1.386 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.239 -3.647 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.588 -3.904 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.559 -2.187 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.840 -2.955 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.648 -1.888 -2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.193 -4.155 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.046 -4.868 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 12 4.325 -3.797 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.366 -2.885 -4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.999 -2.220 -3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.393 -2.907 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.122 -2.232 -1.989 1.00 0.00 H new ATOM 218 N ILE A 13 0.776 -0.650 -1.056 1.00 0.00 N ATOM 219 CA ILE A 13 1.521 0.250 -0.190 1.00 0.00 C ATOM 220 C ILE A 13 0.903 1.649 -0.170 1.00 0.00 C ATOM 221 O ILE A 13 0.384 2.122 -1.180 1.00 0.00 O ATOM 222 CB ILE A 13 2.961 0.404 -0.713 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.672 -0.938 -0.874 1.00 0.00 C ATOM 224 CG2 ILE A 13 3.775 1.344 0.162 1.00 0.00 C ATOM 225 CD1 ILE A 13 4.122 -1.589 0.405 1.00 0.00 C ATOM 0 H ILE A 13 0.185 -0.173 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 13 1.500 -0.180 0.811 1.00 0.00 H new ATOM 0 HB ILE A 13 2.880 0.846 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.003 -1.624 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.543 -0.794 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.786 1.429 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.306 2.328 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.818 0.950 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.614 -2.535 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.821 -0.931 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.258 -1.774 1.043 1.00 0.00 H new ATOM 237 N VAL A 14 1.016 2.329 0.966 1.00 0.00 N ATOM 238 CA VAL A 14 0.525 3.702 1.082 1.00 0.00 C ATOM 239 C VAL A 14 1.700 4.659 1.301 1.00 0.00 C ATOM 240 O VAL A 14 1.572 5.863 1.086 1.00 0.00 O ATOM 241 CB VAL A 14 -0.507 3.882 2.221 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.104 3.081 3.429 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.666 5.347 2.607 1.00 0.00 C ATOM 0 H VAL A 14 1.440 1.957 1.816 1.00 0.00 H new ATOM 0 HA VAL A 14 0.015 3.933 0.147 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.466 3.520 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.841 3.220 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.050 2.025 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.872 3.417 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.398 5.434 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.292 5.740 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.006 5.916 1.742 1.00 0.00 H new ATOM 253 N ASP A 15 2.854 4.115 1.700 1.00 0.00 N ATOM 254 CA ASP A 15 4.045 4.936 1.917 1.00 0.00 C ATOM 255 C ASP A 15 5.281 4.058 1.983 1.00 0.00 C ATOM 256 O ASP A 15 5.176 2.836 2.009 1.00 0.00 O ATOM 257 CB ASP A 15 3.922 5.761 3.199 1.00 0.00 C ATOM 258 CG ASP A 15 4.454 7.172 3.038 1.00 0.00 C ATOM 259 OD1 ASP A 15 3.720 8.027 2.500 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.608 7.420 3.447 1.00 0.00 O ATOM 0 H ASP A 15 2.987 3.119 1.877 1.00 0.00 H new ATOM 0 HA ASP A 15 4.137 5.624 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.875 5.804 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.465 5.261 4.002 1.00 0.00 H new ATOM 265 N GLU A 16 6.455 4.665 1.955 1.00 0.00 N ATOM 266 CA GLU A 16 7.682 3.885 1.973 1.00 0.00 C ATOM 267 C GLU A 16 8.848 4.665 2.581 1.00 0.00 C ATOM 268 O GLU A 16 8.952 5.882 2.427 1.00 0.00 O ATOM 269 CB GLU A 16 8.023 3.412 0.554 1.00 0.00 C ATOM 270 CG GLU A 16 7.315 4.199 -0.535 1.00 0.00 C ATOM 271 CD GLU A 16 7.543 5.694 -0.418 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.716 6.120 -0.448 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.546 6.436 -0.295 1.00 0.00 O ATOM 0 H GLU A 16 6.585 5.676 1.920 1.00 0.00 H new ATOM 0 HA GLU A 16 7.516 3.015 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.100 3.488 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.761 2.358 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.664 3.857 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.245 3.994 -0.489 1.00 0.00 H new ATOM 280 N LYS A 17 9.730 3.929 3.248 1.00 0.00 N ATOM 281 CA LYS A 17 10.916 4.492 3.876 1.00 0.00 C ATOM 282 C LYS A 17 12.171 3.841 3.316 1.00 0.00 C ATOM 283 O LYS A 17 12.328 2.609 3.368 1.00 0.00 O ATOM 284 CB LYS A 17 10.894 4.296 5.387 1.00 0.00 C ATOM 285 CG LYS A 17 10.577 5.558 6.170 1.00 0.00 C ATOM 286 CD LYS A 17 9.382 5.368 7.080 1.00 0.00 C ATOM 287 CE LYS A 17 9.595 4.221 8.051 1.00 0.00 C ATOM 288 NZ LYS A 17 10.318 4.660 9.276 1.00 0.00 N ATOM 0 H LYS A 17 9.640 2.920 3.368 1.00 0.00 H new ATOM 0 HA LYS A 17 10.921 5.560 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.155 3.533 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.864 3.916 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.445 5.845 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.380 6.376 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.198 6.287 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.493 5.176 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.630 3.798 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.160 3.429 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.444 3.849 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.249 5.041 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.767 5.398 9.759 1.00 0.00 H new ATOM 302 N LEU A 18 13.051 4.685 2.803 1.00 0.00 N ATOM 303 CA LEU A 18 14.312 4.254 2.223 1.00 0.00 C ATOM 304 C LEU A 18 15.475 4.514 3.164 1.00 0.00 C ATOM 305 O LEU A 18 15.313 5.077 4.246 1.00 0.00 O ATOM 306 CB LEU A 18 14.574 4.947 0.884 1.00 0.00 C ATOM 307 CG LEU A 18 13.327 5.244 0.049 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.704 5.962 -1.240 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.572 3.955 -0.252 1.00 0.00 C ATOM 0 H LEU A 18 12.909 5.695 2.777 1.00 0.00 H new ATOM 0 HA LEU A 18 14.231 3.180 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.096 5.885 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.246 4.322 0.295 1.00 0.00 H new ATOM 0 HG LEU A 18 12.673 5.900 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.804 6.165 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.201 6.902 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.378 5.334 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.687 4.182 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.219 3.276 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.269 3.484 0.683 1.00 0.00 H new ATOM 321 N ASP A 19 16.655 4.108 2.717 1.00 0.00 N ATOM 322 CA ASP A 19 17.881 4.304 3.475 1.00 0.00 C ATOM 323 C ASP A 19 18.874 5.105 2.638 1.00 0.00 C ATOM 324 O ASP A 19 18.619 5.387 1.469 1.00 0.00 O ATOM 325 CB ASP A 19 18.486 2.955 3.864 1.00 0.00 C ATOM 326 CG ASP A 19 18.531 1.980 2.705 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.079 2.347 1.644 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.018 0.852 2.857 1.00 0.00 O ATOM 0 H ASP A 19 16.789 3.636 1.823 1.00 0.00 H new ATOM 0 HA ASP A 19 17.653 4.855 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.496 3.110 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.904 2.521 4.677 1.00 0.00 H new ATOM 333 N ARG A 20 20.008 5.465 3.230 1.00 0.00 N ATOM 334 CA ARG A 20 21.031 6.232 2.514 1.00 0.00 C ATOM 335 C ARG A 20 21.534 5.492 1.269 1.00 0.00 C ATOM 336 O ARG A 20 22.336 6.027 0.502 1.00 0.00 O ATOM 337 CB ARG A 20 22.210 6.557 3.438 1.00 0.00 C ATOM 338 CG ARG A 20 22.610 5.415 4.360 1.00 0.00 C ATOM 339 CD ARG A 20 22.539 5.832 5.823 1.00 0.00 C ATOM 340 NE ARG A 20 23.009 4.778 6.719 1.00 0.00 N ATOM 341 CZ ARG A 20 22.216 4.061 7.514 1.00 0.00 C ATOM 342 NH1 ARG A 20 20.901 4.252 7.514 1.00 0.00 N ATOM 343 NH2 ARG A 20 22.740 3.138 8.309 1.00 0.00 N ATOM 0 H ARG A 20 20.245 5.242 4.197 1.00 0.00 H new ATOM 0 HA ARG A 20 20.564 7.161 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.070 6.835 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.954 7.426 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.953 4.562 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.623 5.090 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.140 6.729 5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.511 6.091 6.076 1.00 0.00 H new ATOM 0 HE ARG A 20 24.009 4.578 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.488 4.954 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.305 3.696 8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.747 2.979 8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.136 2.587 8.919 1.00 0.00 H new ATOM 357 N ASN A 21 21.062 4.263 1.075 1.00 0.00 N ATOM 358 CA ASN A 21 21.449 3.453 -0.057 1.00 0.00 C ATOM 359 C ASN A 21 20.296 3.355 -1.054 1.00 0.00 C ATOM 360 O ASN A 21 20.284 2.487 -1.927 1.00 0.00 O ATOM 361 CB ASN A 21 21.835 2.060 0.429 1.00 0.00 C ATOM 362 CG ASN A 21 22.053 1.983 1.926 1.00 0.00 C ATOM 363 OD1 ASN A 21 22.907 2.679 2.481 1.00 0.00 O ATOM 364 ND2 ASN A 21 21.280 1.134 2.589 1.00 0.00 N ATOM 0 H ASN A 21 20.400 3.808 1.704 1.00 0.00 H new ATOM 0 HA ASN A 21 22.302 3.915 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.053 1.355 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.746 1.745 -0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.379 1.037 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.586 0.578 2.089 1.00 0.00 H new ATOM 371 N GLY A 22 19.328 4.259 -0.910 1.00 0.00 N ATOM 372 CA GLY A 22 18.173 4.273 -1.785 1.00 0.00 C ATOM 373 C GLY A 22 17.373 2.989 -1.696 1.00 0.00 C ATOM 374 O GLY A 22 16.446 2.762 -2.474 1.00 0.00 O ATOM 0 H GLY A 22 19.327 4.987 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.533 5.117 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.500 4.425 -2.814 1.00 0.00 H new ATOM 378 N ALA A 23 17.747 2.152 -0.741 1.00 0.00 N ATOM 379 CA ALA A 23 17.102 0.885 -0.516 1.00 0.00 C ATOM 380 C ALA A 23 15.882 1.076 0.359 1.00 0.00 C ATOM 381 O ALA A 23 15.836 1.983 1.186 1.00 0.00 O ATOM 382 CB ALA A 23 18.092 -0.070 0.126 1.00 0.00 C ATOM 0 H ALA A 23 18.516 2.343 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 23 16.772 0.461 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.610 -1.032 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.947 -0.207 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.431 0.342 1.076 1.00 0.00 H new ATOM 388 N VAL A 24 14.896 0.228 0.171 1.00 0.00 N ATOM 389 CA VAL A 24 13.667 0.316 0.937 1.00 0.00 C ATOM 390 C VAL A 24 13.775 -0.488 2.225 1.00 0.00 C ATOM 391 O VAL A 24 13.948 -1.707 2.194 1.00 0.00 O ATOM 392 CB VAL A 24 12.493 -0.181 0.084 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.176 -0.097 0.844 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.454 0.626 -1.209 1.00 0.00 C ATOM 0 H VAL A 24 14.919 -0.534 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 24 13.493 1.357 1.208 1.00 0.00 H new ATOM 0 HB VAL A 24 12.638 -1.234 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.366 -0.457 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.234 -0.712 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.984 0.938 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.624 0.284 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.321 1.682 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.390 0.490 -1.751 1.00 0.00 H new ATOM 404 N LYS A 25 13.691 0.204 3.356 1.00 0.00 N ATOM 405 CA LYS A 25 13.801 -0.448 4.652 1.00 0.00 C ATOM 406 C LYS A 25 12.449 -0.579 5.337 1.00 0.00 C ATOM 407 O LYS A 25 12.318 -1.332 6.304 1.00 0.00 O ATOM 408 CB LYS A 25 14.758 0.330 5.560 1.00 0.00 C ATOM 409 CG LYS A 25 16.189 0.383 5.049 1.00 0.00 C ATOM 410 CD LYS A 25 16.701 -0.998 4.663 1.00 0.00 C ATOM 411 CE LYS A 25 18.101 -1.242 5.202 1.00 0.00 C ATOM 412 NZ LYS A 25 18.095 -1.496 6.669 1.00 0.00 N ATOM 0 H LYS A 25 13.548 1.213 3.400 1.00 0.00 H new ATOM 0 HA LYS A 25 14.192 -1.450 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.386 1.348 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.753 -0.125 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.243 1.045 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.834 0.809 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.023 -1.760 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.705 -1.096 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.544 -2.095 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.729 -0.378 4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.068 -1.658 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.695 -0.672 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.517 -2.336 6.874 1.00 0.00 H new ATOM 426 N LEU A 26 11.436 0.126 4.838 1.00 0.00 N ATOM 427 CA LEU A 26 10.115 0.032 5.454 1.00 0.00 C ATOM 428 C LEU A 26 9.001 0.493 4.523 1.00 0.00 C ATOM 429 O LEU A 26 9.245 1.135 3.513 1.00 0.00 O ATOM 430 CB LEU A 26 10.082 0.870 6.735 1.00 0.00 C ATOM 431 CG LEU A 26 10.125 0.073 8.037 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.397 0.997 9.216 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.822 -0.684 8.244 1.00 0.00 C ATOM 0 H LEU A 26 11.499 0.750 4.034 1.00 0.00 H new ATOM 0 HA LEU A 26 9.941 -1.020 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.927 1.558 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.177 1.477 6.729 1.00 0.00 H new ATOM 0 HG LEU A 26 10.936 -0.652 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.425 0.414 10.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.356 1.496 9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.606 1.744 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.872 -1.246 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.994 0.023 8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.665 -1.373 7.414 1.00 0.00 H new ATOM 445 N TYR A 27 7.771 0.135 4.870 1.00 0.00 N ATOM 446 CA TYR A 27 6.597 0.495 4.079 1.00 0.00 C ATOM 447 C TYR A 27 5.401 0.771 4.980 1.00 0.00 C ATOM 448 O TYR A 27 5.286 0.217 6.068 1.00 0.00 O ATOM 449 CB TYR A 27 6.183 -0.639 3.133 1.00 0.00 C ATOM 450 CG TYR A 27 7.094 -0.874 1.960 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.189 0.048 0.930 1.00 0.00 C ATOM 452 CD2 TYR A 27 7.826 -2.044 1.872 1.00 0.00 C ATOM 453 CE1 TYR A 27 7.997 -0.192 -0.166 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.636 -2.296 0.791 1.00 0.00 C ATOM 455 CZ TYR A 27 8.721 -1.370 -0.233 1.00 0.00 C ATOM 456 OH TYR A 27 9.529 -1.620 -1.320 1.00 0.00 O ATOM 0 H TYR A 27 7.558 -0.411 5.705 1.00 0.00 H new ATOM 0 HA TYR A 27 6.874 1.382 3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.117 -1.562 3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.183 -0.426 2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.624 0.967 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.760 -2.772 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.063 0.534 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.204 -3.213 0.741 1.00 0.00 H new ATOM 0 HH TYR A 27 9.967 -2.490 -1.209 1.00 0.00 H new ATOM 466 N ARG A 28 4.496 1.589 4.474 1.00 0.00 N ATOM 467 CA ARG A 28 3.267 1.930 5.156 1.00 0.00 C ATOM 468 C ARG A 28 2.106 1.360 4.370 1.00 0.00 C ATOM 469 O ARG A 28 2.060 1.537 3.137 1.00 0.00 O ATOM 470 CB ARG A 28 3.111 3.447 5.257 1.00 0.00 C ATOM 471 CG ARG A 28 1.951 3.903 6.136 1.00 0.00 C ATOM 472 CD ARG A 28 2.101 5.367 6.514 1.00 0.00 C ATOM 473 NE ARG A 28 1.718 5.631 7.900 1.00 0.00 N ATOM 474 CZ ARG A 28 0.622 6.295 8.263 1.00 0.00 C ATOM 475 NH1 ARG A 28 -0.231 6.749 7.351 1.00 0.00 N ATOM 476 NH2 ARG A 28 0.377 6.505 9.550 1.00 0.00 N ATOM 0 H ARG A 28 4.598 2.040 3.565 1.00 0.00 H new ATOM 0 HA ARG A 28 3.288 1.516 6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.036 3.870 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.974 3.854 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.009 3.754 5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.911 3.292 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.136 5.674 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.487 5.975 5.849 1.00 0.00 H new ATOM 0 HE ARG A 28 2.331 5.284 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.050 6.590 6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.067 7.256 7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.027 6.159 10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.461 7.013 9.833 1.00 0.00 H new ATOM 490 N ILE A 29 1.172 0.705 5.087 1.00 0.00 N ATOM 491 CA ILE A 29 -0.019 0.110 4.461 1.00 0.00 C ATOM 492 C ILE A 29 -1.314 0.527 5.166 1.00 0.00 C ATOM 493 O ILE A 29 -1.589 0.101 6.287 1.00 0.00 O ATOM 494 CB ILE A 29 0.045 -1.429 4.429 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.430 -1.899 3.961 1.00 0.00 C ATOM 496 CG2 ILE A 29 -1.062 -1.982 3.531 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.597 -1.961 2.459 1.00 0.00 C ATOM 0 H ILE A 29 1.221 0.576 6.098 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.026 0.491 3.440 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.113 -1.812 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.185 -1.228 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.624 -2.888 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.008 -3.071 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.033 -1.672 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.935 -1.598 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.604 -2.302 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.869 -2.656 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.439 -0.970 2.034 1.00 0.00 H new ATOM 509 N ARG A 30 -2.125 1.329 4.475 1.00 0.00 N ATOM 510 CA ARG A 30 -3.401 1.794 5.013 1.00 0.00 C ATOM 511 C ARG A 30 -4.554 0.902 4.565 1.00 0.00 C ATOM 512 O ARG A 30 -4.653 0.540 3.394 1.00 0.00 O ATOM 513 CB ARG A 30 -3.666 3.240 4.572 1.00 0.00 C ATOM 514 CG ARG A 30 -4.099 4.163 5.702 1.00 0.00 C ATOM 515 CD ARG A 30 -3.824 5.621 5.372 1.00 0.00 C ATOM 516 NE ARG A 30 -4.664 6.100 4.277 1.00 0.00 N ATOM 517 CZ ARG A 30 -4.343 7.121 3.486 1.00 0.00 C ATOM 518 NH1 ARG A 30 -3.204 7.780 3.663 1.00 0.00 N ATOM 519 NH2 ARG A 30 -5.165 7.481 2.510 1.00 0.00 N ATOM 0 H ARG A 30 -1.918 1.671 3.537 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.338 1.749 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.761 3.641 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.438 3.238 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.163 4.028 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.572 3.891 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.998 6.233 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.774 5.741 5.103 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.550 5.623 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.566 7.505 4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.967 8.561 3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.040 6.976 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.923 8.263 1.902 1.00 0.00 H new ATOM 533 N TRP A 31 -5.424 0.562 5.513 1.00 0.00 N ATOM 534 CA TRP A 31 -6.593 -0.268 5.238 1.00 0.00 C ATOM 535 C TRP A 31 -7.714 0.060 6.223 1.00 0.00 C ATOM 536 O TRP A 31 -7.789 -0.539 7.296 1.00 0.00 O ATOM 537 CB TRP A 31 -6.313 -1.787 5.324 1.00 0.00 C ATOM 538 CG TRP A 31 -4.879 -2.206 5.482 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.849 -1.488 6.004 1.00 0.00 C ATOM 540 CD2 TRP A 31 -4.334 -3.479 5.123 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.687 -2.217 5.955 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.961 -3.449 5.420 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.879 -4.635 4.559 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -2.124 -4.534 5.176 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -4.050 -5.712 4.316 1.00 0.00 C ATOM 546 CH2 TRP A 31 -2.684 -5.655 4.624 1.00 0.00 C ATOM 0 H TRP A 31 -5.339 0.852 6.487 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.880 -0.039 4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.878 -2.189 6.165 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.706 -2.256 4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.933 -0.487 6.401 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.770 -1.895 6.266 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.930 -4.685 4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.071 -4.493 5.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.460 -6.612 3.882 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.060 -6.513 4.422 1.00 0.00 H new ATOM 557 N LEU A 32 -8.594 0.991 5.864 1.00 0.00 N ATOM 558 CA LEU A 32 -9.702 1.345 6.745 1.00 0.00 C ATOM 559 C LEU A 32 -10.521 0.098 7.077 1.00 0.00 C ATOM 560 O LEU A 32 -10.867 -0.146 8.233 1.00 0.00 O ATOM 561 CB LEU A 32 -10.582 2.435 6.109 1.00 0.00 C ATOM 562 CG LEU A 32 -11.619 1.948 5.091 1.00 0.00 C ATOM 563 CD1 LEU A 32 -12.904 1.535 5.792 1.00 0.00 C ATOM 564 CD2 LEU A 32 -11.896 3.032 4.058 1.00 0.00 C ATOM 0 H LEU A 32 -8.563 1.506 4.984 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.298 1.751 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.104 2.964 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.932 3.159 5.618 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.216 1.075 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.628 1.192 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.692 0.728 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.314 2.388 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.634 2.672 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.279 3.922 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.973 3.280 3.534 1.00 0.00 H new ATOM 576 N ASN A 33 -10.806 -0.695 6.048 1.00 0.00 N ATOM 577 CA ASN A 33 -11.561 -1.934 6.215 1.00 0.00 C ATOM 578 C ASN A 33 -10.910 -2.809 7.284 1.00 0.00 C ATOM 579 O ASN A 33 -11.593 -3.394 8.126 1.00 0.00 O ATOM 580 CB ASN A 33 -11.639 -2.697 4.891 1.00 0.00 C ATOM 581 CG ASN A 33 -12.758 -2.213 4.006 1.00 0.00 C ATOM 582 OD1 ASN A 33 -13.013 -1.014 3.896 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.440 -3.156 3.379 1.00 0.00 N ATOM 0 H ASN A 33 -10.525 -0.501 5.087 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.573 -1.681 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.692 -2.595 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.777 -3.759 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.218 -2.903 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.188 -4.136 3.504 1.00 0.00 H new ATOM 590 N TYR A 34 -9.582 -2.879 7.242 1.00 0.00 N ATOM 591 CA TYR A 34 -8.809 -3.668 8.200 1.00 0.00 C ATOM 592 C TYR A 34 -8.371 -2.805 9.373 1.00 0.00 C ATOM 593 O TYR A 34 -8.655 -1.609 9.413 1.00 0.00 O ATOM 594 CB TYR A 34 -7.558 -4.247 7.536 1.00 0.00 C ATOM 595 CG TYR A 34 -7.835 -5.199 6.393 1.00 0.00 C ATOM 596 CD1 TYR A 34 -8.642 -4.827 5.322 1.00 0.00 C ATOM 597 CD2 TYR A 34 -7.283 -6.473 6.383 1.00 0.00 C ATOM 598 CE1 TYR A 34 -8.892 -5.698 4.279 1.00 0.00 C ATOM 599 CE2 TYR A 34 -7.526 -7.349 5.341 1.00 0.00 C ATOM 600 CZ TYR A 34 -8.333 -6.958 4.294 1.00 0.00 C ATOM 601 OH TYR A 34 -8.575 -7.826 3.255 1.00 0.00 O ATOM 0 H TYR A 34 -9.013 -2.394 6.548 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.449 -4.477 8.553 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.945 -3.425 7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.970 -4.768 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.081 -3.840 5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.653 -6.785 7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.522 -5.393 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.086 -8.335 5.347 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.107 -8.671 3.419 1.00 0.00 H new ATOM 611 N SER A 35 -7.659 -3.419 10.313 1.00 0.00 N ATOM 612 CA SER A 35 -7.151 -2.712 11.484 1.00 0.00 C ATOM 613 C SER A 35 -8.265 -1.995 12.245 1.00 0.00 C ATOM 614 O SER A 35 -9.094 -1.304 11.656 1.00 0.00 O ATOM 615 CB SER A 35 -6.073 -1.717 11.052 1.00 0.00 C ATOM 616 OG SER A 35 -6.632 -0.449 10.749 1.00 0.00 O ATOM 0 H SER A 35 -7.420 -4.410 10.286 1.00 0.00 H new ATOM 0 HA SER A 35 -6.720 -3.447 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.334 -1.610 11.846 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.548 -2.103 10.178 1.00 0.00 H new ATOM 0 HG SER A 35 -7.423 -0.567 10.182 1.00 0.00 H new ATOM 622 N SER A 36 -8.274 -2.161 13.562 1.00 0.00 N ATOM 623 CA SER A 36 -9.282 -1.526 14.401 1.00 0.00 C ATOM 624 C SER A 36 -8.713 -0.298 15.101 1.00 0.00 C ATOM 625 O SER A 36 -9.147 0.064 16.195 1.00 0.00 O ATOM 626 CB SER A 36 -9.819 -2.520 15.432 1.00 0.00 C ATOM 627 OG SER A 36 -11.076 -2.104 15.937 1.00 0.00 O ATOM 0 H SER A 36 -7.596 -2.729 14.071 1.00 0.00 H new ATOM 0 HA SER A 36 -10.103 -1.204 13.760 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.915 -3.505 14.976 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.108 -2.617 16.253 1.00 0.00 H new ATOM 0 HG SER A 36 -11.010 -1.181 16.260 1.00 0.00 H new ATOM 633 N ARG A 37 -7.740 0.345 14.462 1.00 0.00 N ATOM 634 CA ARG A 37 -7.114 1.536 15.025 1.00 0.00 C ATOM 635 C ARG A 37 -6.527 2.424 13.929 1.00 0.00 C ATOM 636 O ARG A 37 -6.874 3.600 13.823 1.00 0.00 O ATOM 637 CB ARG A 37 -6.025 1.144 16.025 1.00 0.00 C ATOM 638 CG ARG A 37 -5.985 2.032 17.259 1.00 0.00 C ATOM 639 CD ARG A 37 -7.269 1.927 18.068 1.00 0.00 C ATOM 640 NE ARG A 37 -7.237 2.770 19.261 1.00 0.00 N ATOM 641 CZ ARG A 37 -8.326 3.232 19.871 1.00 0.00 C ATOM 642 NH1 ARG A 37 -9.533 2.935 19.408 1.00 0.00 N ATOM 643 NH2 ARG A 37 -8.208 3.989 20.956 1.00 0.00 N ATOM 0 H ARG A 37 -7.369 0.061 13.555 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.885 2.104 15.545 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.183 0.111 16.336 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.056 1.183 15.528 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.137 1.750 17.883 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.828 3.068 16.957 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.115 2.215 17.444 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.428 0.889 18.362 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.327 3.019 19.649 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.631 2.349 18.579 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.363 3.293 19.881 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.283 4.216 21.321 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.042 4.343 21.424 1.00 0.00 H new ATOM 657 N SER A 38 -5.635 1.859 13.119 1.00 0.00 N ATOM 658 CA SER A 38 -5.003 2.613 12.039 1.00 0.00 C ATOM 659 C SER A 38 -4.110 1.715 11.187 1.00 0.00 C ATOM 660 O SER A 38 -4.138 0.491 11.314 1.00 0.00 O ATOM 661 CB SER A 38 -4.181 3.768 12.617 1.00 0.00 C ATOM 662 OG SER A 38 -3.621 4.565 11.587 1.00 0.00 O ATOM 0 H SER A 38 -5.335 0.887 13.189 1.00 0.00 H new ATOM 0 HA SER A 38 -5.791 3.013 11.401 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.814 4.385 13.254 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.385 3.371 13.247 1.00 0.00 H new ATOM 0 HG SER A 38 -2.648 4.447 11.574 1.00 0.00 H new ATOM 668 N ASP A 39 -3.310 2.334 10.321 1.00 0.00 N ATOM 669 CA ASP A 39 -2.404 1.595 9.449 1.00 0.00 C ATOM 670 C ASP A 39 -1.120 1.245 10.186 1.00 0.00 C ATOM 671 O ASP A 39 -0.808 1.841 11.217 1.00 0.00 O ATOM 672 CB ASP A 39 -2.074 2.425 8.206 1.00 0.00 C ATOM 673 CG ASP A 39 -1.292 3.680 8.537 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.911 4.656 9.012 1.00 0.00 O ATOM 675 OD2 ASP A 39 -0.063 3.684 8.323 1.00 0.00 O ATOM 0 H ASP A 39 -3.272 3.347 10.206 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.898 0.672 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.499 1.816 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.000 2.700 7.701 1.00 0.00 H new ATOM 680 N THR A 40 -0.368 0.295 9.647 1.00 0.00 N ATOM 681 CA THR A 40 0.886 -0.110 10.258 1.00 0.00 C ATOM 682 C THR A 40 1.993 -0.206 9.217 1.00 0.00 C ATOM 683 O THR A 40 1.739 -0.186 8.002 1.00 0.00 O ATOM 684 CB THR A 40 0.736 -1.454 10.980 1.00 0.00 C ATOM 685 OG1 THR A 40 1.953 -2.186 10.947 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.350 -2.331 10.394 1.00 0.00 C ATOM 0 H THR A 40 -0.605 -0.207 8.791 1.00 0.00 H new ATOM 0 HA THR A 40 1.156 0.652 10.989 1.00 0.00 H new ATOM 0 HB THR A 40 0.460 -1.201 12.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.835 -3.039 11.415 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.403 -3.266 10.951 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.308 -1.816 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.122 -2.544 9.350 1.00 0.00 H new ATOM 694 N TRP A 41 3.226 -0.271 9.707 1.00 0.00 N ATOM 695 CA TRP A 41 4.394 -0.338 8.848 1.00 0.00 C ATOM 696 C TRP A 41 4.991 -1.744 8.819 1.00 0.00 C ATOM 697 O TRP A 41 5.278 -2.344 9.855 1.00 0.00 O ATOM 698 CB TRP A 41 5.447 0.673 9.314 1.00 0.00 C ATOM 699 CG TRP A 41 4.938 2.079 9.299 1.00 0.00 C ATOM 700 CD1 TRP A 41 4.026 2.630 10.152 1.00 0.00 C ATOM 701 CD2 TRP A 41 5.293 3.108 8.369 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.787 3.939 9.804 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.557 4.257 8.716 1.00 0.00 C ATOM 704 CE3 TRP A 41 6.161 3.173 7.278 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.662 5.452 8.008 1.00 0.00 C ATOM 706 CZ3 TRP A 41 6.263 4.357 6.575 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.518 5.484 6.943 1.00 0.00 C ATOM 0 H TRP A 41 3.439 -0.279 10.704 1.00 0.00 H new ATOM 0 HA TRP A 41 4.078 -0.090 7.835 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.769 0.418 10.323 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.324 0.601 8.671 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.560 2.114 10.979 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.142 4.570 10.279 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.744 2.311 6.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.088 6.322 8.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.929 4.415 5.727 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.622 6.396 6.374 1.00 0.00 H new ATOM 718 N GLU A 42 5.196 -2.234 7.610 1.00 0.00 N ATOM 719 CA GLU A 42 5.776 -3.540 7.368 1.00 0.00 C ATOM 720 C GLU A 42 6.934 -3.406 6.391 1.00 0.00 C ATOM 721 O GLU A 42 6.989 -2.451 5.636 1.00 0.00 O ATOM 722 CB GLU A 42 4.735 -4.507 6.802 1.00 0.00 C ATOM 723 CG GLU A 42 3.286 -4.050 6.938 1.00 0.00 C ATOM 724 CD GLU A 42 2.397 -5.113 7.551 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.376 -6.244 7.023 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.722 -4.813 8.559 1.00 0.00 O ATOM 0 H GLU A 42 4.960 -1.727 6.757 1.00 0.00 H new ATOM 0 HA GLU A 42 6.134 -3.940 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.950 -4.671 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.845 -5.469 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.248 -3.151 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.900 -3.781 5.955 1.00 0.00 H new ATOM 733 N PRO A 43 7.882 -4.350 6.392 1.00 0.00 N ATOM 734 CA PRO A 43 9.025 -4.304 5.494 1.00 0.00 C ATOM 735 C PRO A 43 8.771 -4.981 4.149 1.00 0.00 C ATOM 736 O PRO A 43 7.804 -5.722 3.981 1.00 0.00 O ATOM 737 CB PRO A 43 10.107 -5.052 6.261 1.00 0.00 C ATOM 738 CG PRO A 43 9.395 -5.896 7.281 1.00 0.00 C ATOM 739 CD PRO A 43 7.930 -5.521 7.263 1.00 0.00 C ATOM 0 HA PRO A 43 9.282 -3.276 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.701 -5.672 5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.793 -4.356 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.520 -6.955 7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.818 -5.732 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.314 -6.333 6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.563 -5.291 8.263 1.00 0.00 H new ATOM 747 N PRO A 44 9.688 -4.765 3.186 1.00 0.00 N ATOM 748 CA PRO A 44 9.598 -5.363 1.847 1.00 0.00 C ATOM 749 C PRO A 44 9.780 -6.860 1.876 1.00 0.00 C ATOM 750 O PRO A 44 9.019 -7.618 1.279 1.00 0.00 O ATOM 751 CB PRO A 44 10.752 -4.746 1.074 1.00 0.00 C ATOM 752 CG PRO A 44 11.634 -4.096 2.065 1.00 0.00 C ATOM 753 CD PRO A 44 10.893 -3.954 3.364 1.00 0.00 C ATOM 0 HA PRO A 44 8.618 -5.176 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.295 -5.509 0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.386 -4.020 0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.537 -4.688 2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.949 -3.117 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.491 -4.309 4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.645 -2.912 3.568 1.00 0.00 H new ATOM 761 N GLU A 45 10.829 -7.263 2.551 1.00 0.00 N ATOM 762 CA GLU A 45 11.166 -8.680 2.675 1.00 0.00 C ATOM 763 C GLU A 45 9.960 -9.481 3.178 1.00 0.00 C ATOM 764 O GLU A 45 9.857 -10.685 2.939 1.00 0.00 O ATOM 765 CB GLU A 45 12.360 -8.863 3.613 1.00 0.00 C ATOM 766 CG GLU A 45 13.673 -8.377 3.019 1.00 0.00 C ATOM 767 CD GLU A 45 14.858 -9.228 3.433 1.00 0.00 C ATOM 768 OE1 GLU A 45 15.060 -9.410 4.652 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.585 -9.709 2.538 1.00 0.00 O ATOM 0 H GLU A 45 11.474 -6.634 3.029 1.00 0.00 H new ATOM 0 HA GLU A 45 11.438 -9.056 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.169 -8.326 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.454 -9.918 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.596 -8.375 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.847 -7.346 3.328 1.00 0.00 H new ATOM 776 N ASN A 46 9.036 -8.793 3.848 1.00 0.00 N ATOM 777 CA ASN A 46 7.819 -9.414 4.359 1.00 0.00 C ATOM 778 C ASN A 46 6.827 -9.614 3.220 1.00 0.00 C ATOM 779 O ASN A 46 5.946 -10.472 3.281 1.00 0.00 O ATOM 780 CB ASN A 46 7.180 -8.517 5.423 1.00 0.00 C ATOM 781 CG ASN A 46 7.563 -8.888 6.841 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.467 -9.692 7.069 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.864 -8.293 7.804 1.00 0.00 N ATOM 0 H ASN A 46 9.111 -7.796 4.050 1.00 0.00 H new ATOM 0 HA ASN A 46 8.075 -10.377 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.470 -7.483 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.096 -8.566 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.068 -8.496 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.124 -7.633 7.564 1.00 0.00 H new ATOM 790 N LEU A 47 6.980 -8.791 2.189 1.00 0.00 N ATOM 791 CA LEU A 47 6.112 -8.833 1.025 1.00 0.00 C ATOM 792 C LEU A 47 6.689 -9.740 -0.055 1.00 0.00 C ATOM 793 O LEU A 47 6.439 -9.540 -1.245 1.00 0.00 O ATOM 794 CB LEU A 47 5.935 -7.440 0.435 1.00 0.00 C ATOM 795 CG LEU A 47 6.370 -6.266 1.316 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.442 -5.001 0.493 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.432 -6.069 2.489 1.00 0.00 C ATOM 0 H LEU A 47 7.708 -8.079 2.139 1.00 0.00 H new ATOM 0 HA LEU A 47 5.149 -9.223 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.494 -7.391 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.883 -7.307 0.184 1.00 0.00 H new ATOM 0 HG LEU A 47 7.358 -6.497 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.752 -4.171 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.165 -5.132 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.461 -4.786 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.774 -5.227 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.426 -5.867 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.420 -6.971 3.101 1.00 0.00 H new ATOM 809 N SER A 48 7.468 -10.724 0.360 1.00 0.00 N ATOM 810 CA SER A 48 8.093 -11.664 -0.576 1.00 0.00 C ATOM 811 C SER A 48 7.089 -12.699 -1.106 1.00 0.00 C ATOM 812 O SER A 48 7.458 -13.838 -1.395 1.00 0.00 O ATOM 813 CB SER A 48 9.262 -12.381 0.100 1.00 0.00 C ATOM 814 OG SER A 48 8.802 -13.313 1.064 1.00 0.00 O ATOM 0 H SER A 48 7.688 -10.899 1.340 1.00 0.00 H new ATOM 0 HA SER A 48 8.457 -11.085 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.860 -12.896 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.913 -11.650 0.579 1.00 0.00 H new ATOM 0 HG SER A 48 9.569 -13.759 1.480 1.00 0.00 H new ATOM 820 N GLY A 49 5.830 -12.290 -1.239 1.00 0.00 N ATOM 821 CA GLY A 49 4.791 -13.176 -1.750 1.00 0.00 C ATOM 822 C GLY A 49 3.612 -12.407 -2.333 1.00 0.00 C ATOM 823 O GLY A 49 2.611 -13.000 -2.739 1.00 0.00 O ATOM 0 H GLY A 49 5.506 -11.353 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.214 -13.824 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.439 -13.822 -0.946 1.00 0.00 H new ATOM 827 N CYS A 50 3.740 -11.084 -2.371 1.00 0.00 N ATOM 828 CA CYS A 50 2.709 -10.201 -2.893 1.00 0.00 C ATOM 829 C CYS A 50 3.131 -9.635 -4.244 1.00 0.00 C ATOM 830 O CYS A 50 2.618 -8.619 -4.704 1.00 0.00 O ATOM 831 CB CYS A 50 2.532 -9.077 -1.902 1.00 0.00 C ATOM 832 SG CYS A 50 1.408 -9.456 -0.535 1.00 0.00 S ATOM 0 H CYS A 50 4.570 -10.593 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 50 1.776 -10.748 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.507 -8.813 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.160 -8.199 -2.430 1.00 0.00 H new ATOM 0 HG CYS A 50 1.327 -8.429 0.258 1.00 0.00 H new ATOM 838 N SER A 51 4.085 -10.320 -4.851 1.00 0.00 N ATOM 839 CA SER A 51 4.655 -9.952 -6.157 1.00 0.00 C ATOM 840 C SER A 51 3.785 -8.956 -6.940 1.00 0.00 C ATOM 841 O SER A 51 4.235 -7.856 -7.251 1.00 0.00 O ATOM 842 CB SER A 51 4.885 -11.207 -7.002 1.00 0.00 C ATOM 843 OG SER A 51 6.178 -11.200 -7.584 1.00 0.00 O ATOM 0 H SER A 51 4.499 -11.163 -4.452 1.00 0.00 H new ATOM 0 HA SER A 51 5.603 -9.454 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.767 -12.095 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.130 -11.265 -7.786 1.00 0.00 H new ATOM 0 HG SER A 51 6.301 -12.013 -8.117 1.00 0.00 H new ATOM 849 N ALA A 52 2.547 -9.341 -7.257 1.00 0.00 N ATOM 850 CA ALA A 52 1.639 -8.463 -8.006 1.00 0.00 C ATOM 851 C ALA A 52 1.309 -7.202 -7.210 1.00 0.00 C ATOM 852 O ALA A 52 1.426 -6.079 -7.707 1.00 0.00 O ATOM 853 CB ALA A 52 0.366 -9.211 -8.382 1.00 0.00 C ATOM 0 H ALA A 52 2.150 -10.248 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 52 2.145 -8.156 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.296 -8.546 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.619 -10.071 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.137 -9.552 -7.477 1.00 0.00 H new ATOM 859 N VAL A 53 0.942 -7.395 -5.953 1.00 0.00 N ATOM 860 CA VAL A 53 0.645 -6.279 -5.066 1.00 0.00 C ATOM 861 C VAL A 53 1.847 -5.319 -5.084 1.00 0.00 C ATOM 862 O VAL A 53 1.725 -4.106 -5.372 1.00 0.00 O ATOM 863 CB VAL A 53 0.362 -6.809 -3.633 1.00 0.00 C ATOM 864 CG1 VAL A 53 0.150 -5.693 -2.629 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.842 -7.740 -3.642 1.00 0.00 C ATOM 0 H VAL A 53 0.842 -8.314 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.244 -5.744 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 53 1.248 -7.360 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.044 -6.121 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.043 -5.069 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.702 -5.086 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.028 -8.104 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.718 -7.199 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.643 -8.585 -4.301 1.00 0.00 H new ATOM 875 N LEU A 54 3.024 -5.891 -4.834 1.00 0.00 N ATOM 876 CA LEU A 54 4.269 -5.136 -4.863 1.00 0.00 C ATOM 877 C LEU A 54 4.341 -4.307 -6.133 1.00 0.00 C ATOM 878 O LEU A 54 4.630 -3.104 -6.109 1.00 0.00 O ATOM 879 CB LEU A 54 5.470 -6.087 -4.816 1.00 0.00 C ATOM 880 CG LEU A 54 5.738 -6.750 -3.465 1.00 0.00 C ATOM 881 CD1 LEU A 54 6.697 -7.921 -3.628 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.290 -5.733 -2.477 1.00 0.00 C ATOM 0 H LEU A 54 3.138 -6.879 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 54 4.295 -4.480 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.320 -6.869 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.361 -5.533 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 54 4.797 -7.133 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.877 -8.382 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.261 -8.657 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.641 -7.564 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.476 -6.220 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.223 -5.321 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.567 -4.929 -2.341 1.00 0.00 H new ATOM 894 N ALA A 55 4.061 -4.979 -7.239 1.00 0.00 N ATOM 895 CA ALA A 55 4.075 -4.355 -8.546 1.00 0.00 C ATOM 896 C ALA A 55 3.075 -3.217 -8.624 1.00 0.00 C ATOM 897 O ALA A 55 3.273 -2.284 -9.396 1.00 0.00 O ATOM 898 CB ALA A 55 3.791 -5.383 -9.634 1.00 0.00 C ATOM 0 H ALA A 55 3.819 -5.970 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 55 5.071 -3.941 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.806 -4.895 -10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.553 -6.162 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.811 -5.829 -9.466 1.00 0.00 H new ATOM 904 N GLU A 56 1.998 -3.269 -7.832 1.00 0.00 N ATOM 905 CA GLU A 56 1.030 -2.197 -7.886 1.00 0.00 C ATOM 906 C GLU A 56 1.610 -0.953 -7.225 1.00 0.00 C ATOM 907 O GLU A 56 1.532 0.136 -7.796 1.00 0.00 O ATOM 908 CB GLU A 56 -0.328 -2.636 -7.313 1.00 0.00 C ATOM 909 CG GLU A 56 -0.662 -2.095 -5.945 1.00 0.00 C ATOM 910 CD GLU A 56 -2.138 -1.784 -5.784 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.967 -2.511 -6.374 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.466 -0.816 -5.066 1.00 0.00 O ATOM 0 H GLU A 56 1.789 -4.018 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 56 0.824 -1.938 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.111 -2.330 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.349 -3.725 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.363 -2.821 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.082 -1.190 -5.765 1.00 0.00 H new ATOM 919 N TRP A 57 2.235 -1.094 -6.045 1.00 0.00 N ATOM 920 CA TRP A 57 2.829 0.096 -5.412 1.00 0.00 C ATOM 921 C TRP A 57 3.885 0.717 -6.306 1.00 0.00 C ATOM 922 O TRP A 57 3.790 1.888 -6.669 1.00 0.00 O ATOM 923 CB TRP A 57 3.480 -0.199 -4.062 1.00 0.00 C ATOM 924 CG TRP A 57 4.206 0.998 -3.489 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.554 1.141 -3.326 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.617 2.225 -3.030 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.836 2.382 -2.817 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.663 3.063 -2.623 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.302 2.695 -2.933 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.439 4.344 -2.125 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.082 3.964 -2.441 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.145 4.776 -2.043 1.00 0.00 C ATOM 0 H TRP A 57 2.340 -1.969 -5.532 1.00 0.00 H new ATOM 0 HA TRP A 57 1.996 0.781 -5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 57 2.715 -0.526 -3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.182 -1.025 -4.175 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.290 0.387 -3.563 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.769 2.741 -2.615 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.473 2.074 -3.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.259 4.974 -1.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.071 4.336 -2.362 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.941 5.766 -1.662 1.00 0.00 H new ATOM 943 N LYS A 58 4.910 -0.062 -6.641 1.00 0.00 N ATOM 944 CA LYS A 58 6.005 0.452 -7.473 1.00 0.00 C ATOM 945 C LYS A 58 5.501 1.025 -8.794 1.00 0.00 C ATOM 946 O LYS A 58 5.817 2.162 -9.144 1.00 0.00 O ATOM 947 CB LYS A 58 7.070 -0.611 -7.749 1.00 0.00 C ATOM 948 CG LYS A 58 6.574 -2.017 -7.588 1.00 0.00 C ATOM 949 CD LYS A 58 7.319 -2.985 -8.497 1.00 0.00 C ATOM 950 CE LYS A 58 6.995 -2.739 -9.962 1.00 0.00 C ATOM 951 NZ LYS A 58 7.716 -3.685 -10.858 1.00 0.00 N ATOM 0 H LYS A 58 5.010 -1.037 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 58 6.462 1.256 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.445 -0.482 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.912 -0.453 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.693 -2.328 -6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.508 -2.055 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.392 -2.881 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.056 -4.009 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.921 -2.839 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.261 -1.715 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.468 -3.484 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.742 -3.572 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.443 -4.661 -10.624 1.00 0.00 H new ATOM 965 N ARG A 59 4.709 0.243 -9.519 1.00 0.00 N ATOM 966 CA ARG A 59 4.163 0.698 -10.792 1.00 0.00 C ATOM 967 C ARG A 59 3.455 2.031 -10.604 1.00 0.00 C ATOM 968 O ARG A 59 3.480 2.896 -11.478 1.00 0.00 O ATOM 969 CB ARG A 59 3.197 -0.339 -11.361 1.00 0.00 C ATOM 970 CG ARG A 59 3.901 -1.535 -11.983 1.00 0.00 C ATOM 971 CD ARG A 59 2.939 -2.419 -12.760 1.00 0.00 C ATOM 972 NE ARG A 59 2.204 -1.672 -13.778 1.00 0.00 N ATOM 973 CZ ARG A 59 0.974 -1.191 -13.612 1.00 0.00 C ATOM 974 NH1 ARG A 59 0.324 -1.374 -12.467 1.00 0.00 N ATOM 975 NH2 ARG A 59 0.389 -0.523 -14.596 1.00 0.00 N ATOM 0 H ARG A 59 4.432 -0.701 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 59 4.982 0.828 -11.499 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.538 -0.687 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.567 0.135 -12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.691 -1.186 -12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.381 -2.122 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.494 -3.228 -13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.233 -2.880 -12.069 1.00 0.00 H new ATOM 0 HE ARG A 59 2.663 -1.508 -14.674 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.767 -1.887 -11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.618 -1.001 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.881 -0.379 -15.478 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.553 -0.153 -14.472 1.00 0.00 H new ATOM 989 N ARG A 60 2.838 2.185 -9.440 1.00 0.00 N ATOM 990 CA ARG A 60 2.127 3.407 -9.106 1.00 0.00 C ATOM 991 C ARG A 60 3.110 4.523 -8.768 1.00 0.00 C ATOM 992 O ARG A 60 2.930 5.676 -9.163 1.00 0.00 O ATOM 993 CB ARG A 60 1.190 3.145 -7.922 1.00 0.00 C ATOM 994 CG ARG A 60 -0.227 2.785 -8.338 1.00 0.00 C ATOM 995 CD ARG A 60 -1.052 4.024 -8.646 1.00 0.00 C ATOM 996 NE ARG A 60 -1.665 4.579 -7.439 1.00 0.00 N ATOM 997 CZ ARG A 60 -1.132 5.561 -6.712 1.00 0.00 C ATOM 998 NH1 ARG A 60 0.001 6.143 -7.089 1.00 0.00 N ATOM 999 NH2 ARG A 60 -1.737 5.966 -5.605 1.00 0.00 N ATOM 0 H ARG A 60 2.817 1.474 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 60 1.538 3.723 -9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.599 2.336 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.160 4.032 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.196 2.140 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.707 2.216 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.417 4.778 -9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.830 3.773 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.557 4.190 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.471 5.839 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.401 6.894 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.609 5.527 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.331 6.717 -5.047 1.00 0.00 H new ATOM 1013 N LYS A 61 4.135 4.160 -8.020 1.00 0.00 N ATOM 1014 CA LYS A 61 5.170 5.089 -7.579 1.00 0.00 C ATOM 1015 C LYS A 61 6.001 5.663 -8.708 1.00 0.00 C ATOM 1016 O LYS A 61 6.666 6.682 -8.529 1.00 0.00 O ATOM 1017 CB LYS A 61 6.104 4.387 -6.610 1.00 0.00 C ATOM 1018 CG LYS A 61 6.094 4.999 -5.232 1.00 0.00 C ATOM 1019 CD LYS A 61 7.305 4.579 -4.424 1.00 0.00 C ATOM 1020 CE LYS A 61 8.489 5.498 -4.681 1.00 0.00 C ATOM 1021 NZ LYS A 61 8.132 6.929 -4.475 1.00 0.00 N ATOM 0 H LYS A 61 4.278 3.203 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 61 4.646 5.920 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.820 3.337 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.119 4.416 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.072 6.085 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.186 4.701 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.058 4.590 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.576 3.554 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.310 5.229 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.845 5.355 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.988 7.470 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.710 7.310 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.448 7.007 -3.696 1.00 0.00 H new ATOM 1035 N ARG A 62 6.012 5.004 -9.846 1.00 0.00 N ATOM 1036 CA ARG A 62 6.802 5.415 -11.005 1.00 0.00 C ATOM 1037 C ARG A 62 6.515 6.812 -11.544 1.00 0.00 C ATOM 1038 O ARG A 62 7.179 7.230 -12.493 1.00 0.00 O ATOM 1039 CB ARG A 62 6.640 4.392 -12.134 1.00 0.00 C ATOM 1040 CG ARG A 62 7.685 3.287 -12.113 1.00 0.00 C ATOM 1041 CD ARG A 62 7.560 2.378 -13.326 1.00 0.00 C ATOM 1042 NE ARG A 62 7.914 0.993 -13.014 1.00 0.00 N ATOM 1043 CZ ARG A 62 9.143 0.491 -13.136 1.00 0.00 C ATOM 1044 NH1 ARG A 62 10.149 1.256 -13.541 1.00 0.00 N ATOM 1045 NH2 ARG A 62 9.368 -0.783 -12.843 1.00 0.00 N ATOM 0 H ARG A 62 5.468 4.155 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 62 7.828 5.455 -10.639 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.649 3.944 -12.067 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.691 4.910 -13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.682 3.728 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.575 2.698 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.538 2.415 -13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.206 2.746 -14.123 1.00 0.00 H new ATOM 0 HE ARG A 62 7.175 0.373 -12.683 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.986 2.238 -13.762 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.085 0.862 -13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.602 -1.376 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.307 -1.169 -12.936 1.00 0.00 H new ATOM 1059 N ARG A 63 5.545 7.539 -11.003 1.00 0.00 N ATOM 1060 CA ARG A 63 5.246 8.877 -11.513 1.00 0.00 C ATOM 1061 C ARG A 63 6.518 9.700 -11.723 1.00 0.00 C ATOM 1062 O ARG A 63 6.796 10.147 -12.835 1.00 0.00 O ATOM 1063 CB ARG A 63 4.305 9.610 -10.553 1.00 0.00 C ATOM 1064 CG ARG A 63 3.074 10.195 -11.229 1.00 0.00 C ATOM 1065 CD ARG A 63 1.851 9.311 -11.027 1.00 0.00 C ATOM 1066 NE ARG A 63 2.060 7.958 -11.539 1.00 0.00 N ATOM 1067 CZ ARG A 63 1.689 7.551 -12.752 1.00 0.00 C ATOM 1068 NH1 ARG A 63 1.057 8.376 -13.578 1.00 0.00 N ATOM 1069 NH2 ARG A 63 1.943 6.307 -13.132 1.00 0.00 N ATOM 0 H ARG A 63 4.960 7.235 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 63 4.759 8.759 -12.481 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.986 8.919 -9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.855 10.413 -10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.876 11.189 -10.828 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.266 10.314 -12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.610 9.263 -9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.993 9.759 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 63 2.519 7.282 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.851 9.331 -13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.777 8.054 -14.505 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.420 5.667 -12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.661 5.989 -14.060 1.00 0.00 H new ATOM 1083 N LEU A 64 7.280 9.916 -10.652 1.00 0.00 N ATOM 1084 CA LEU A 64 8.506 10.700 -10.743 1.00 0.00 C ATOM 1085 C LEU A 64 9.532 10.040 -11.666 1.00 0.00 C ATOM 1086 O LEU A 64 9.297 8.952 -12.194 1.00 0.00 O ATOM 1087 CB LEU A 64 9.106 10.946 -9.348 1.00 0.00 C ATOM 1088 CG LEU A 64 9.062 9.786 -8.336 1.00 0.00 C ATOM 1089 CD1 LEU A 64 7.818 9.879 -7.465 1.00 0.00 C ATOM 1090 CD2 LEU A 64 9.139 8.424 -9.013 1.00 0.00 C ATOM 0 H LEU A 64 7.071 9.561 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 64 8.244 11.664 -11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.148 11.239 -9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.588 11.797 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 64 9.945 9.882 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.807 9.050 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.826 10.822 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.929 9.831 -8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.104 7.639 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.296 8.308 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.071 8.348 -9.572 1.00 0.00 H new ATOM 1102 N LYS A 65 10.669 10.714 -11.864 1.00 0.00 N ATOM 1103 CA LYS A 65 11.731 10.195 -12.737 1.00 0.00 C ATOM 1104 C LYS A 65 12.134 8.775 -12.335 1.00 0.00 C ATOM 1105 O LYS A 65 11.758 7.804 -12.991 1.00 0.00 O ATOM 1106 CB LYS A 65 12.987 11.098 -12.740 1.00 0.00 C ATOM 1107 CG LYS A 65 12.779 12.524 -12.233 1.00 0.00 C ATOM 1108 CD LYS A 65 13.473 12.758 -10.895 1.00 0.00 C ATOM 1109 CE LYS A 65 13.061 11.733 -9.847 1.00 0.00 C ATOM 1110 NZ LYS A 65 12.731 12.370 -8.542 1.00 0.00 N ATOM 0 H LYS A 65 10.879 11.615 -11.435 1.00 0.00 H new ATOM 0 HA LYS A 65 11.315 10.185 -13.745 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.755 10.623 -12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.374 11.147 -13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.162 13.231 -12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.712 12.720 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.553 12.717 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.236 13.759 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.197 11.175 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.868 11.015 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.456 11.637 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.563 12.882 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.943 13.037 -8.671 1.00 0.00 H new ATOM 1124 N GLY A 66 12.911 8.668 -11.262 1.00 0.00 N ATOM 1125 CA GLY A 66 13.365 7.372 -10.794 1.00 0.00 C ATOM 1126 C GLY A 66 14.576 7.486 -9.890 1.00 0.00 C ATOM 1127 O GLY A 66 14.637 8.372 -9.039 1.00 0.00 O ATOM 0 H GLY A 66 13.235 9.460 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.556 6.877 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.610 6.743 -11.650 1.00 0.00 H new ATOM 1131 N SER A 67 15.544 6.595 -10.074 1.00 0.00 N ATOM 1132 CA SER A 67 16.756 6.615 -9.262 1.00 0.00 C ATOM 1133 C SER A 67 17.743 5.544 -9.716 1.00 0.00 C ATOM 1134 O SER A 67 18.476 4.978 -8.904 1.00 0.00 O ATOM 1135 CB SER A 67 16.414 6.416 -7.784 1.00 0.00 C ATOM 1136 OG SER A 67 17.558 6.596 -6.968 1.00 0.00 O ATOM 0 H SER A 67 15.514 5.854 -10.774 1.00 0.00 H new ATOM 0 HA SER A 67 17.226 7.590 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.638 7.122 -7.489 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.009 5.415 -7.633 1.00 0.00 H new ATOM 0 HG SER A 67 18.310 6.092 -7.344 1.00 0.00 H new ATOM 1142 N ASN A 68 17.758 5.271 -11.018 1.00 0.00 N ATOM 1143 CA ASN A 68 18.657 4.267 -11.577 1.00 0.00 C ATOM 1144 C ASN A 68 19.678 4.910 -12.510 1.00 0.00 C ATOM 1145 O ASN A 68 19.582 6.094 -12.830 1.00 0.00 O ATOM 1146 CB ASN A 68 17.861 3.202 -12.331 1.00 0.00 C ATOM 1147 CG ASN A 68 16.930 2.425 -11.421 1.00 0.00 C ATOM 1148 OD1 ASN A 68 17.239 1.308 -11.006 1.00 0.00 O ATOM 1149 ND2 ASN A 68 15.782 3.013 -11.103 1.00 0.00 N ATOM 0 H ASN A 68 17.159 5.730 -11.704 1.00 0.00 H new ATOM 0 HA ASN A 68 19.191 3.795 -10.752 1.00 0.00 H new ATOM 0 HB2 ASN A 68 17.279 3.678 -13.121 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.551 2.511 -12.816 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.117 2.537 -10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.565 3.940 -11.469 1.00 0.00 H new ATOM 1156 N SER A 69 20.655 4.121 -12.943 1.00 0.00 N ATOM 1157 CA SER A 69 21.693 4.614 -13.839 1.00 0.00 C ATOM 1158 C SER A 69 21.146 4.817 -15.249 1.00 0.00 C ATOM 1159 O SER A 69 19.911 4.731 -15.422 1.00 0.00 O ATOM 1160 CB SER A 69 22.875 3.643 -13.872 1.00 0.00 C ATOM 1161 OG SER A 69 23.971 4.197 -14.580 1.00 0.00 O ATOM 1162 OXT SER A 69 21.954 5.067 -16.167 1.00 0.00 O ATOM 0 H SER A 69 20.749 3.138 -12.688 1.00 0.00 H new ATOM 0 HA SER A 69 22.035 5.577 -13.460 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.180 3.402 -12.854 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.569 2.709 -14.343 1.00 0.00 H new ATOM 0 HG SER A 69 23.642 4.682 -15.366 1.00 0.00 H new TER 1168 SER A 69