USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1110 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= 0.0715 K(o=0.38,f=-1.6) USER MOD Set 1.2: A 82 ASN : amide:sc= 0.311 K(o=0.38,f=-0.22) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -124:sc=-0.00837 (180deg=-0.427) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= -0.416 USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 729 SER OG : rot -170:sc= -0.158 USER MOD Set 4.1: A 5 TYR OH : rot -123:sc= 0.644 USER MOD Set 4.2: A 9 HIS : no HE2:sc= 0.566 K(o=1.2,f=-0.055) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= -0.0109 (180deg=-0.145) USER MOD Single : A 4 GLN : amide:sc= -1.23! C(o=-1.2!,f=-2.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 2.99 (180deg=1.71) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0.4 (180deg=-0.242) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 0.269 (180deg=-0.0489) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= 1.21 (180deg=-0.0613) USER MOD Single : A 53 SER OG : rot 180:sc= 0.133 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 59 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.6) USER MOD Single : A 61 TYR OH : rot 19:sc= -0.828 USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0059 (180deg=-0.0161) USER MOD Single : A 69 HIS : no HE2:sc= -0.0354 X(o=-0.035,f=-0.4) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0789 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 172:sc= -0.243 (180deg=-0.391) USER MOD Single : A 93 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0515 USER MOD Single : A 98 ASN : amide:sc= -0.0231 X(o=-0.023,f=0.086) USER MOD Single : A 99 HIS : no HE2:sc= 0.00565 X(o=0.0057,f=-0.29) USER MOD Single : A 103 TYR OH : rot 180:sc= 0.12 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 130:sc= 0.824 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0.0342 USER MOD Single : B 732 TYR OH : rot -112:sc= 0.0382 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -13.645 15.897 -4.096 1.00 0.00 N ATOM 2 CA GLY A -3 -12.612 14.866 -3.970 1.00 0.00 C ATOM 3 C GLY A -3 -12.312 14.278 -5.336 1.00 0.00 C ATOM 4 O GLY A -3 -13.136 13.529 -5.859 1.00 0.00 O ATOM 0 H1 GLY A -3 -13.850 16.299 -3.159 1.00 0.00 H new ATOM 0 H2 GLY A -3 -13.309 16.650 -4.730 1.00 0.00 H new ATOM 0 H3 GLY A -3 -14.511 15.475 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -11.707 15.294 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -12.947 14.082 -3.291 1.00 0.00 H new ATOM 8 N SER A -2 -11.140 14.577 -5.911 1.00 0.00 N ATOM 9 CA SER A -2 -10.717 14.091 -7.226 1.00 0.00 C ATOM 10 C SER A -2 -9.503 13.151 -7.075 1.00 0.00 C ATOM 11 O SER A -2 -8.362 13.587 -7.257 1.00 0.00 O ATOM 12 CB SER A -2 -10.519 15.272 -8.198 1.00 0.00 C ATOM 13 OG SER A -2 -9.965 16.428 -7.585 1.00 0.00 O ATOM 0 H SER A -2 -10.446 15.176 -5.464 1.00 0.00 H new ATOM 0 HA SER A -2 -11.498 13.482 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A -2 -9.867 14.956 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A -2 -11.480 15.532 -8.641 1.00 0.00 H new ATOM 0 HG SER A -2 -9.864 17.137 -8.254 1.00 0.00 H new ATOM 19 N PRO A -1 -9.717 11.859 -6.756 1.00 0.00 N ATOM 20 CA PRO A -1 -8.679 10.837 -6.546 1.00 0.00 C ATOM 21 C PRO A -1 -8.039 10.305 -7.843 1.00 0.00 C ATOM 22 O PRO A -1 -7.699 9.126 -7.933 1.00 0.00 O ATOM 23 CB PRO A -1 -9.411 9.732 -5.767 1.00 0.00 C ATOM 24 CG PRO A -1 -10.783 9.755 -6.428 1.00 0.00 C ATOM 25 CD PRO A -1 -11.027 11.252 -6.534 1.00 0.00 C ATOM 0 HA PRO A -1 -7.823 11.250 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -8.922 8.764 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -9.466 9.949 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -10.780 9.267 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -11.540 9.255 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -11.707 11.479 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -11.487 11.638 -5.624 1.00 0.00 H new ATOM 33 N GLU A 0 -7.894 11.136 -8.879 1.00 0.00 N ATOM 34 CA GLU A 0 -7.307 10.752 -10.163 1.00 0.00 C ATOM 35 C GLU A 0 -5.791 10.527 -10.012 1.00 0.00 C ATOM 36 O GLU A 0 -4.979 11.346 -10.459 1.00 0.00 O ATOM 37 CB GLU A 0 -7.624 11.826 -11.216 1.00 0.00 C ATOM 38 CG GLU A 0 -9.086 11.839 -11.682 1.00 0.00 C ATOM 39 CD GLU A 0 -9.401 13.169 -12.360 1.00 0.00 C ATOM 40 OE1 GLU A 0 -9.021 13.391 -13.530 1.00 0.00 O ATOM 41 OE2 GLU A 0 -9.944 14.063 -11.672 1.00 0.00 O ATOM 0 H GLU A 0 -8.187 12.112 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 0 -7.742 9.811 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -7.377 12.805 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -6.980 11.671 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -9.264 11.016 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -9.750 11.688 -10.831 1.00 0.00 H new ATOM 48 N PHE A 1 -5.419 9.381 -9.432 1.00 0.00 N ATOM 49 CA PHE A 1 -4.074 8.894 -9.150 1.00 0.00 C ATOM 50 C PHE A 1 -3.210 9.962 -8.471 1.00 0.00 C ATOM 51 O PHE A 1 -2.332 10.573 -9.085 1.00 0.00 O ATOM 52 CB PHE A 1 -3.417 8.310 -10.414 1.00 0.00 C ATOM 53 CG PHE A 1 -4.000 7.002 -10.924 1.00 0.00 C ATOM 54 CD1 PHE A 1 -5.279 6.959 -11.515 1.00 0.00 C ATOM 55 CD2 PHE A 1 -3.244 5.817 -10.830 1.00 0.00 C ATOM 56 CE1 PHE A 1 -5.805 5.740 -11.976 1.00 0.00 C ATOM 57 CE2 PHE A 1 -3.771 4.599 -11.290 1.00 0.00 C ATOM 58 CZ PHE A 1 -5.056 4.558 -11.857 1.00 0.00 C ATOM 0 H PHE A 1 -6.122 8.711 -9.121 1.00 0.00 H new ATOM 0 HA PHE A 1 -4.159 8.077 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.486 9.051 -11.211 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -2.357 8.158 -10.211 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.857 7.866 -11.614 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -2.253 5.845 -10.402 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -6.788 5.712 -12.423 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -3.188 3.693 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 1 -5.467 3.620 -12.200 1.00 0.00 H new ATOM 68 N LYS A 2 -3.466 10.211 -7.186 1.00 0.00 N ATOM 69 CA LYS A 2 -2.726 11.177 -6.379 1.00 0.00 C ATOM 70 C LYS A 2 -2.474 10.563 -5.002 1.00 0.00 C ATOM 71 O LYS A 2 -2.797 9.398 -4.757 1.00 0.00 O ATOM 72 CB LYS A 2 -3.468 12.528 -6.316 1.00 0.00 C ATOM 73 CG LYS A 2 -3.424 13.268 -7.661 1.00 0.00 C ATOM 74 CD LYS A 2 -3.725 14.763 -7.487 1.00 0.00 C ATOM 75 CE LYS A 2 -3.602 15.558 -8.795 1.00 0.00 C ATOM 76 NZ LYS A 2 -2.263 15.443 -9.414 1.00 0.00 N ATOM 0 H LYS A 2 -4.207 9.737 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.761 11.397 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.506 12.359 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.020 13.153 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.441 13.144 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.149 12.826 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.734 14.881 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.041 15.182 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.355 15.206 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.817 16.608 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.181 16.126 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.533 15.642 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.133 14.479 -9.783 1.00 0.00 H new ATOM 90 N PHE A 3 -1.827 11.322 -4.125 1.00 0.00 N ATOM 91 CA PHE A 3 -1.513 10.915 -2.766 1.00 0.00 C ATOM 92 C PHE A 3 -2.805 10.589 -2.006 1.00 0.00 C ATOM 93 O PHE A 3 -3.889 11.095 -2.323 1.00 0.00 O ATOM 94 CB PHE A 3 -0.751 12.072 -2.103 1.00 0.00 C ATOM 95 CG PHE A 3 0.604 12.345 -2.731 1.00 0.00 C ATOM 96 CD1 PHE A 3 1.648 11.439 -2.500 1.00 0.00 C ATOM 97 CD2 PHE A 3 0.838 13.473 -3.538 1.00 0.00 C ATOM 98 CE1 PHE A 3 2.926 11.644 -3.043 1.00 0.00 C ATOM 99 CE2 PHE A 3 2.116 13.685 -4.092 1.00 0.00 C ATOM 100 CZ PHE A 3 3.162 12.775 -3.844 1.00 0.00 C ATOM 0 H PHE A 3 -1.499 12.262 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.897 10.016 -2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.358 12.976 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.613 11.847 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.465 10.565 -1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.040 14.175 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.721 10.939 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.295 14.552 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.141 12.945 -4.267 1.00 0.00 H new ATOM 110 N GLN A 4 -2.669 9.767 -0.966 1.00 0.00 N ATOM 111 CA GLN A 4 -3.734 9.311 -0.073 1.00 0.00 C ATOM 112 C GLN A 4 -4.493 10.480 0.572 1.00 0.00 C ATOM 113 O GLN A 4 -5.692 10.383 0.814 1.00 0.00 O ATOM 114 CB GLN A 4 -3.139 8.356 0.985 1.00 0.00 C ATOM 115 CG GLN A 4 -2.172 8.992 2.007 1.00 0.00 C ATOM 116 CD GLN A 4 -0.985 9.720 1.374 1.00 0.00 C ATOM 117 OE1 GLN A 4 -0.920 10.947 1.350 1.00 0.00 O ATOM 118 NE2 GLN A 4 -0.089 9.023 0.698 1.00 0.00 N ATOM 0 H GLN A 4 -1.761 9.379 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.473 8.769 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.961 7.895 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.612 7.555 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.727 9.696 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.795 8.212 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.125 8.004 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.639 9.504 0.170 1.00 0.00 H new ATOM 127 N TYR A 5 -3.841 11.635 0.742 1.00 0.00 N ATOM 128 CA TYR A 5 -4.443 12.826 1.330 1.00 0.00 C ATOM 129 C TYR A 5 -5.732 13.259 0.608 1.00 0.00 C ATOM 130 O TYR A 5 -6.656 13.800 1.215 1.00 0.00 O ATOM 131 CB TYR A 5 -3.405 13.948 1.317 1.00 0.00 C ATOM 132 CG TYR A 5 -3.821 15.073 2.229 1.00 0.00 C ATOM 133 CD1 TYR A 5 -3.744 14.872 3.618 1.00 0.00 C ATOM 134 CD2 TYR A 5 -4.403 16.244 1.707 1.00 0.00 C ATOM 135 CE1 TYR A 5 -4.322 15.803 4.491 1.00 0.00 C ATOM 136 CE2 TYR A 5 -4.973 17.186 2.579 1.00 0.00 C ATOM 137 CZ TYR A 5 -4.976 16.939 3.970 1.00 0.00 C ATOM 138 OH TYR A 5 -5.631 17.772 4.811 1.00 0.00 O ATOM 0 H TYR A 5 -2.867 11.766 0.470 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.739 12.595 2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.437 13.558 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.282 14.324 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.240 14.002 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.411 16.417 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.267 15.651 5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.407 18.095 2.188 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.568 17.847 4.533 1.00 0.00 H new ATOM 148 N LYS A 6 -5.815 13.036 -0.707 1.00 0.00 N ATOM 149 CA LYS A 6 -7.005 13.376 -1.488 1.00 0.00 C ATOM 150 C LYS A 6 -8.190 12.499 -1.085 1.00 0.00 C ATOM 151 O LYS A 6 -9.339 12.881 -1.298 1.00 0.00 O ATOM 152 CB LYS A 6 -6.740 13.184 -2.987 1.00 0.00 C ATOM 153 CG LYS A 6 -5.807 14.236 -3.595 1.00 0.00 C ATOM 154 CD LYS A 6 -6.478 15.614 -3.642 1.00 0.00 C ATOM 155 CE LYS A 6 -5.659 16.609 -4.459 1.00 0.00 C ATOM 156 NZ LYS A 6 -4.425 17.035 -3.775 1.00 0.00 N ATOM 0 H LYS A 6 -5.064 12.618 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.241 14.421 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.308 12.196 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.691 13.206 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.890 14.295 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.521 13.933 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.474 15.520 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.605 15.992 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.400 16.159 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.270 17.485 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.910 17.710 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.668 17.491 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.825 16.205 -3.593 1.00 0.00 H new ATOM 170 N GLU A 7 -7.902 11.307 -0.585 1.00 0.00 N ATOM 171 CA GLU A 7 -8.839 10.285 -0.165 1.00 0.00 C ATOM 172 C GLU A 7 -9.101 10.322 1.349 1.00 0.00 C ATOM 173 O GLU A 7 -10.139 9.835 1.790 1.00 0.00 O ATOM 174 CB GLU A 7 -8.320 8.962 -0.749 1.00 0.00 C ATOM 175 CG GLU A 7 -8.417 9.029 -2.294 1.00 0.00 C ATOM 176 CD GLU A 7 -7.670 7.922 -3.034 1.00 0.00 C ATOM 177 OE1 GLU A 7 -8.138 6.768 -2.989 1.00 0.00 O ATOM 178 OE2 GLU A 7 -6.652 8.210 -3.714 1.00 0.00 O ATOM 0 H GLU A 7 -6.935 11.010 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.844 10.447 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.288 8.793 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.907 8.125 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.468 8.991 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.031 9.993 -2.626 1.00 0.00 H new ATOM 185 N ASP A 8 -8.250 10.990 2.145 1.00 0.00 N ATOM 186 CA ASP A 8 -8.435 11.136 3.601 1.00 0.00 C ATOM 187 C ASP A 8 -9.704 11.964 3.885 1.00 0.00 C ATOM 188 O ASP A 8 -10.563 11.568 4.672 1.00 0.00 O ATOM 189 CB ASP A 8 -7.220 11.837 4.240 1.00 0.00 C ATOM 190 CG ASP A 8 -7.553 12.429 5.618 1.00 0.00 C ATOM 191 OD1 ASP A 8 -7.644 11.668 6.610 1.00 0.00 O ATOM 192 OD2 ASP A 8 -7.742 13.664 5.714 1.00 0.00 O ATOM 0 H ASP A 8 -7.408 11.448 1.795 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.536 10.141 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.402 11.124 4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.871 12.631 3.580 1.00 0.00 H new ATOM 197 N HIS A 9 -9.836 13.106 3.199 1.00 0.00 N ATOM 198 CA HIS A 9 -10.973 14.015 3.324 1.00 0.00 C ATOM 199 C HIS A 9 -12.306 13.292 3.088 1.00 0.00 C ATOM 200 O HIS A 9 -13.144 13.287 4.002 1.00 0.00 O ATOM 201 CB HIS A 9 -10.777 15.236 2.416 1.00 0.00 C ATOM 202 CG HIS A 9 -10.064 16.363 3.113 1.00 0.00 C ATOM 203 ND1 HIS A 9 -10.606 17.172 4.087 1.00 0.00 N ATOM 204 CD2 HIS A 9 -8.768 16.753 2.922 1.00 0.00 C ATOM 205 CE1 HIS A 9 -9.658 18.040 4.471 1.00 0.00 C ATOM 206 NE2 HIS A 9 -8.539 17.854 3.752 1.00 0.00 N ATOM 0 H HIS A 9 -9.138 13.427 2.528 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.019 14.382 4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.209 14.941 1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.749 15.585 2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -11.557 17.120 4.451 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.054 16.295 2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.777 18.782 5.247 1.00 0.00 H new ATOM 214 N PRO A 10 -12.571 12.668 1.924 1.00 0.00 N ATOM 215 CA PRO A 10 -13.805 11.935 1.679 1.00 0.00 C ATOM 216 C PRO A 10 -13.711 10.576 2.410 1.00 0.00 C ATOM 217 O PRO A 10 -13.753 9.518 1.779 1.00 0.00 O ATOM 218 CB PRO A 10 -13.886 11.815 0.155 1.00 0.00 C ATOM 219 CG PRO A 10 -12.421 11.665 -0.246 1.00 0.00 C ATOM 220 CD PRO A 10 -11.722 12.599 0.741 1.00 0.00 C ATOM 0 HA PRO A 10 -14.709 12.415 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.481 10.955 -0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.342 12.696 -0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.075 10.636 -0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.249 11.962 -1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.732 12.221 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.583 13.589 0.306 1.00 0.00 H new ATOM 228 N PHE A 11 -13.668 10.600 3.749 1.00 0.00 N ATOM 229 CA PHE A 11 -13.557 9.451 4.635 1.00 0.00 C ATOM 230 C PHE A 11 -14.599 8.398 4.277 1.00 0.00 C ATOM 231 O PHE A 11 -14.285 7.223 4.120 1.00 0.00 O ATOM 232 CB PHE A 11 -13.702 9.903 6.093 1.00 0.00 C ATOM 233 CG PHE A 11 -13.209 8.878 7.086 1.00 0.00 C ATOM 234 CD1 PHE A 11 -14.065 7.858 7.546 1.00 0.00 C ATOM 235 CD2 PHE A 11 -11.877 8.938 7.533 1.00 0.00 C ATOM 236 CE1 PHE A 11 -13.585 6.898 8.453 1.00 0.00 C ATOM 237 CE2 PHE A 11 -11.403 7.987 8.450 1.00 0.00 C ATOM 238 CZ PHE A 11 -12.255 6.969 8.903 1.00 0.00 C ATOM 0 H PHE A 11 -13.713 11.478 4.266 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.573 8.998 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.150 10.832 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.750 10.121 6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -15.088 7.814 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.220 9.715 7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.235 6.109 8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.385 8.039 8.806 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.886 6.234 9.603 1.00 0.00 H new ATOM 248 N GLU A 12 -15.838 8.851 4.085 1.00 0.00 N ATOM 249 CA GLU A 12 -16.977 8.024 3.712 1.00 0.00 C ATOM 250 C GLU A 12 -16.656 7.190 2.463 1.00 0.00 C ATOM 251 O GLU A 12 -16.971 6.007 2.402 1.00 0.00 O ATOM 252 CB GLU A 12 -18.200 8.947 3.499 1.00 0.00 C ATOM 253 CG GLU A 12 -18.031 10.002 2.387 1.00 0.00 C ATOM 254 CD GLU A 12 -19.075 11.119 2.452 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.266 10.856 2.154 1.00 0.00 O ATOM 256 OE2 GLU A 12 -18.677 12.292 2.671 1.00 0.00 O ATOM 0 H GLU A 12 -16.080 9.836 4.189 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.206 7.314 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.067 8.329 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.418 9.460 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.035 10.440 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.094 9.511 1.416 1.00 0.00 H new ATOM 263 N TYR A 13 -16.023 7.810 1.466 1.00 0.00 N ATOM 264 CA TYR A 13 -15.649 7.209 0.198 1.00 0.00 C ATOM 265 C TYR A 13 -14.502 6.206 0.356 1.00 0.00 C ATOM 266 O TYR A 13 -14.543 5.135 -0.259 1.00 0.00 O ATOM 267 CB TYR A 13 -15.351 8.331 -0.801 1.00 0.00 C ATOM 268 CG TYR A 13 -15.645 7.964 -2.236 1.00 0.00 C ATOM 269 CD1 TYR A 13 -16.972 7.930 -2.704 1.00 0.00 C ATOM 270 CD2 TYR A 13 -14.585 7.691 -3.113 1.00 0.00 C ATOM 271 CE1 TYR A 13 -17.229 7.638 -4.054 1.00 0.00 C ATOM 272 CE2 TYR A 13 -14.832 7.365 -4.455 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.160 7.343 -4.928 1.00 0.00 C ATOM 274 OH TYR A 13 -16.408 7.135 -6.246 1.00 0.00 O ATOM 0 H TYR A 13 -15.747 8.790 1.530 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.476 6.616 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.939 9.209 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.301 8.612 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.790 8.128 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.568 7.732 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.244 7.639 -4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.013 7.133 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.567 6.945 -6.711 1.00 0.00 H new ATOM 284 N ARG A 14 -13.464 6.513 1.150 1.00 0.00 N ATOM 285 CA ARG A 14 -12.387 5.528 1.333 1.00 0.00 C ATOM 286 C ARG A 14 -12.956 4.333 2.097 1.00 0.00 C ATOM 287 O ARG A 14 -12.649 3.193 1.752 1.00 0.00 O ATOM 288 CB ARG A 14 -11.102 6.091 1.977 1.00 0.00 C ATOM 289 CG ARG A 14 -11.246 6.729 3.364 1.00 0.00 C ATOM 290 CD ARG A 14 -9.892 7.053 4.015 1.00 0.00 C ATOM 291 NE ARG A 14 -9.231 5.859 4.591 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.915 5.603 4.648 1.00 0.00 C ATOM 293 NH1 ARG A 14 -7.044 6.458 4.118 1.00 0.00 N ATOM 294 NH2 ARG A 14 -7.473 4.494 5.235 1.00 0.00 N ATOM 0 H ARG A 14 -13.348 7.392 1.654 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.048 5.214 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.375 5.282 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.682 6.837 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.831 7.645 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.804 6.054 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.235 7.503 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.040 7.795 4.800 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.847 5.150 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.376 7.310 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.044 6.261 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.135 3.835 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.472 4.303 5.276 1.00 0.00 H new ATOM 308 N LYS A 15 -13.839 4.578 3.073 1.00 0.00 N ATOM 309 CA LYS A 15 -14.459 3.546 3.888 1.00 0.00 C ATOM 310 C LYS A 15 -15.315 2.621 3.046 1.00 0.00 C ATOM 311 O LYS A 15 -15.121 1.407 3.105 1.00 0.00 O ATOM 312 CB LYS A 15 -15.262 4.235 5.012 1.00 0.00 C ATOM 313 CG LYS A 15 -15.865 3.321 6.091 1.00 0.00 C ATOM 314 CD LYS A 15 -17.116 2.523 5.682 1.00 0.00 C ATOM 315 CE LYS A 15 -17.754 1.881 6.917 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.006 0.693 7.374 1.00 0.00 N ATOM 0 H LYS A 15 -14.143 5.521 3.317 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.695 2.912 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.609 4.956 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.073 4.800 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.098 2.616 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.117 3.933 6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.834 3.181 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.846 1.753 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.799 2.613 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.781 1.596 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.139 0.572 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.357 -0.150 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.994 0.820 7.169 1.00 0.00 H new ATOM 330 N LYS A 16 -16.239 3.146 2.237 1.00 0.00 N ATOM 331 CA LYS A 16 -17.093 2.278 1.428 1.00 0.00 C ATOM 332 C LYS A 16 -16.306 1.486 0.390 1.00 0.00 C ATOM 333 O LYS A 16 -16.589 0.295 0.244 1.00 0.00 O ATOM 334 CB LYS A 16 -18.269 3.034 0.802 1.00 0.00 C ATOM 335 CG LYS A 16 -17.845 4.253 -0.025 1.00 0.00 C ATOM 336 CD LYS A 16 -18.455 4.340 -1.415 1.00 0.00 C ATOM 337 CE LYS A 16 -19.871 4.906 -1.329 1.00 0.00 C ATOM 338 NZ LYS A 16 -20.875 3.987 -0.749 1.00 0.00 N ATOM 0 H LYS A 16 -16.412 4.145 2.127 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.520 1.549 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.831 2.351 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.944 3.360 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.109 5.155 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.759 4.245 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.839 4.974 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.477 3.352 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.847 5.818 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.195 5.189 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.826 4.273 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.684 3.017 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.821 4.024 0.289 1.00 0.00 H new ATOM 352 N GLU A 17 -15.347 2.089 -0.320 1.00 0.00 N ATOM 353 CA GLU A 17 -14.584 1.354 -1.331 1.00 0.00 C ATOM 354 C GLU A 17 -13.689 0.305 -0.657 1.00 0.00 C ATOM 355 O GLU A 17 -13.607 -0.830 -1.128 1.00 0.00 O ATOM 356 CB GLU A 17 -13.830 2.325 -2.252 1.00 0.00 C ATOM 357 CG GLU A 17 -14.828 3.123 -3.121 1.00 0.00 C ATOM 358 CD GLU A 17 -14.208 3.752 -4.374 1.00 0.00 C ATOM 359 OE1 GLU A 17 -13.007 4.110 -4.327 1.00 0.00 O ATOM 360 OE2 GLU A 17 -14.951 3.948 -5.366 1.00 0.00 O ATOM 0 H GLU A 17 -15.084 3.069 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.262 0.801 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.228 3.010 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.142 1.771 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.639 2.461 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.271 3.912 -2.513 1.00 0.00 H new ATOM 367 N GLY A 18 -13.073 0.636 0.483 1.00 0.00 N ATOM 368 CA GLY A 18 -12.228 -0.284 1.235 1.00 0.00 C ATOM 369 C GLY A 18 -13.072 -1.463 1.691 1.00 0.00 C ATOM 370 O GLY A 18 -12.707 -2.624 1.489 1.00 0.00 O ATOM 0 H GLY A 18 -13.151 1.559 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.401 -0.629 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.791 0.223 2.096 1.00 0.00 H new ATOM 374 N GLU A 19 -14.255 -1.182 2.231 1.00 0.00 N ATOM 375 CA GLU A 19 -15.173 -2.208 2.680 1.00 0.00 C ATOM 376 C GLU A 19 -15.616 -3.056 1.489 1.00 0.00 C ATOM 377 O GLU A 19 -15.784 -4.276 1.624 1.00 0.00 O ATOM 378 CB GLU A 19 -16.395 -1.547 3.342 1.00 0.00 C ATOM 379 CG GLU A 19 -17.424 -2.612 3.745 1.00 0.00 C ATOM 380 CD GLU A 19 -18.471 -2.117 4.753 1.00 0.00 C ATOM 381 OE1 GLU A 19 -18.115 -1.403 5.722 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.639 -2.569 4.652 1.00 0.00 O ATOM 0 H GLU A 19 -14.599 -0.231 2.367 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.677 -2.851 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.081 -0.984 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.849 -0.835 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.935 -2.966 2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.899 -3.467 4.172 1.00 0.00 H new ATOM 389 N LYS A 20 -15.790 -2.447 0.316 1.00 0.00 N ATOM 390 CA LYS A 20 -16.247 -3.169 -0.855 1.00 0.00 C ATOM 391 C LYS A 20 -15.206 -4.170 -1.330 1.00 0.00 C ATOM 392 O LYS A 20 -15.563 -5.332 -1.547 1.00 0.00 O ATOM 393 CB LYS A 20 -16.585 -2.182 -1.991 1.00 0.00 C ATOM 394 CG LYS A 20 -17.229 -2.812 -3.236 1.00 0.00 C ATOM 395 CD LYS A 20 -18.689 -3.243 -3.042 1.00 0.00 C ATOM 396 CE LYS A 20 -18.933 -4.599 -2.367 1.00 0.00 C ATOM 397 NZ LYS A 20 -18.215 -5.720 -3.002 1.00 0.00 N ATOM 0 H LYS A 20 -15.619 -1.454 0.159 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.145 -3.721 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.259 -1.420 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.669 -1.674 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.179 -2.097 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.642 -3.681 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.193 -2.476 -2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.169 -3.261 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.632 -4.533 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.002 -4.812 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.687 -6.615 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.217 -5.593 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.234 -5.743 -2.658 1.00 0.00 H new ATOM 411 N ILE A 21 -13.939 -3.760 -1.436 1.00 0.00 N ATOM 412 CA ILE A 21 -12.904 -4.666 -1.913 1.00 0.00 C ATOM 413 C ILE A 21 -12.468 -5.672 -0.849 1.00 0.00 C ATOM 414 O ILE A 21 -12.210 -6.826 -1.191 1.00 0.00 O ATOM 415 CB ILE A 21 -11.720 -3.818 -2.447 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.761 -4.623 -3.341 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.920 -3.147 -1.318 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.434 -5.107 -4.627 1.00 0.00 C ATOM 0 H ILE A 21 -13.614 -2.822 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.306 -5.274 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.185 -3.043 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.900 -4.005 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.385 -5.482 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.103 -2.566 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.576 -2.487 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.513 -3.912 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.716 -5.670 -5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.279 -5.748 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.787 -4.248 -5.198 1.00 0.00 H new ATOM 430 N ARG A 22 -12.534 -5.312 0.439 1.00 0.00 N ATOM 431 CA ARG A 22 -12.145 -6.208 1.526 1.00 0.00 C ATOM 432 C ARG A 22 -13.137 -7.346 1.573 1.00 0.00 C ATOM 433 O ARG A 22 -12.767 -8.517 1.540 1.00 0.00 O ATOM 434 CB ARG A 22 -12.128 -5.417 2.852 1.00 0.00 C ATOM 435 CG ARG A 22 -11.667 -6.203 4.092 1.00 0.00 C ATOM 436 CD ARG A 22 -12.670 -7.164 4.750 1.00 0.00 C ATOM 437 NE ARG A 22 -13.820 -6.497 5.399 1.00 0.00 N ATOM 438 CZ ARG A 22 -14.589 -7.073 6.341 1.00 0.00 C ATOM 439 NH1 ARG A 22 -14.451 -8.349 6.663 1.00 0.00 N ATOM 440 NH2 ARG A 22 -15.523 -6.393 6.994 1.00 0.00 N ATOM 0 H ARG A 22 -12.857 -4.396 0.752 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.147 -6.615 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.476 -4.552 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.132 -5.035 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.785 -6.780 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.351 -5.482 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.045 -7.853 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.146 -7.763 5.494 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.043 -5.543 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.749 -8.920 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.047 -8.761 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.674 -5.406 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.090 -6.858 7.703 1.00 0.00 H new ATOM 454 N LYS A 23 -14.422 -7.001 1.609 1.00 0.00 N ATOM 455 CA LYS A 23 -15.456 -8.009 1.671 1.00 0.00 C ATOM 456 C LYS A 23 -15.500 -8.838 0.395 1.00 0.00 C ATOM 457 O LYS A 23 -15.817 -10.028 0.490 1.00 0.00 O ATOM 458 CB LYS A 23 -16.801 -7.341 1.945 1.00 0.00 C ATOM 459 CG LYS A 23 -17.685 -8.230 2.819 1.00 0.00 C ATOM 460 CD LYS A 23 -19.148 -7.925 2.516 1.00 0.00 C ATOM 461 CE LYS A 23 -20.069 -8.894 3.243 1.00 0.00 C ATOM 462 NZ LYS A 23 -21.460 -8.733 2.785 1.00 0.00 N ATOM 0 H LYS A 23 -14.761 -6.039 1.596 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.230 -8.696 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.641 -6.383 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.307 -7.133 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.471 -9.281 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.474 -8.051 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.380 -6.903 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.322 -7.989 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.739 -9.918 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.012 -8.721 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.072 -9.403 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.778 -7.761 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.513 -8.921 1.764 1.00 0.00 H new ATOM 476 N LYS A 24 -15.223 -8.246 -0.780 1.00 0.00 N ATOM 477 CA LYS A 24 -15.256 -9.003 -2.029 1.00 0.00 C ATOM 478 C LYS A 24 -14.115 -10.014 -2.108 1.00 0.00 C ATOM 479 O LYS A 24 -14.390 -11.163 -2.437 1.00 0.00 O ATOM 480 CB LYS A 24 -15.283 -8.107 -3.274 1.00 0.00 C ATOM 481 CG LYS A 24 -15.516 -9.017 -4.488 1.00 0.00 C ATOM 482 CD LYS A 24 -15.912 -8.219 -5.716 1.00 0.00 C ATOM 483 CE LYS A 24 -16.172 -9.135 -6.916 1.00 0.00 C ATOM 484 NZ LYS A 24 -17.482 -9.818 -6.839 1.00 0.00 N ATOM 0 H LYS A 24 -14.978 -7.261 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.197 -9.553 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.075 -7.363 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.344 -7.563 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.609 -9.583 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.297 -9.741 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.807 -7.636 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.122 -7.510 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.126 -8.548 -7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.380 -9.882 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.607 -10.424 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.519 -10.402 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.242 -9.109 -6.809 1.00 0.00 H new ATOM 498 N TYR A 25 -12.878 -9.634 -1.773 1.00 0.00 N ATOM 499 CA TYR A 25 -11.716 -10.521 -1.825 1.00 0.00 C ATOM 500 C TYR A 25 -11.133 -10.659 -0.416 1.00 0.00 C ATOM 501 O TYR A 25 -10.098 -10.064 -0.121 1.00 0.00 O ATOM 502 CB TYR A 25 -10.693 -10.008 -2.853 1.00 0.00 C ATOM 503 CG TYR A 25 -11.237 -9.839 -4.259 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.860 -10.916 -4.913 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.121 -8.600 -4.916 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.388 -10.742 -6.202 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.654 -8.418 -6.205 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.303 -9.492 -6.851 1.00 0.00 C ATOM 509 OH TYR A 25 -12.868 -9.337 -8.080 1.00 0.00 O ATOM 0 H TYR A 25 -12.655 -8.691 -1.455 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.010 -11.515 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.304 -9.049 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.852 -10.700 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.932 -11.876 -4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.617 -7.780 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.864 -11.573 -6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.567 -7.461 -6.698 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.725 -8.419 -8.392 1.00 0.00 H new ATOM 519 N PRO A 26 -11.739 -11.483 0.454 1.00 0.00 N ATOM 520 CA PRO A 26 -11.285 -11.668 1.832 1.00 0.00 C ATOM 521 C PRO A 26 -9.896 -12.302 1.990 1.00 0.00 C ATOM 522 O PRO A 26 -9.300 -12.254 3.068 1.00 0.00 O ATOM 523 CB PRO A 26 -12.377 -12.502 2.499 1.00 0.00 C ATOM 524 CG PRO A 26 -13.071 -13.220 1.358 1.00 0.00 C ATOM 525 CD PRO A 26 -12.956 -12.240 0.207 1.00 0.00 C ATOM 0 HA PRO A 26 -11.144 -10.695 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.954 -13.210 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.074 -11.872 3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.588 -14.170 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.112 -13.441 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.905 -12.762 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.824 -11.582 0.165 1.00 0.00 H new ATOM 533 N ASP A 27 -9.368 -12.922 0.938 1.00 0.00 N ATOM 534 CA ASP A 27 -8.048 -13.555 0.936 1.00 0.00 C ATOM 535 C ASP A 27 -6.961 -12.522 0.567 1.00 0.00 C ATOM 536 O ASP A 27 -5.777 -12.859 0.467 1.00 0.00 O ATOM 537 CB ASP A 27 -8.042 -14.685 -0.107 1.00 0.00 C ATOM 538 CG ASP A 27 -9.048 -15.805 0.159 1.00 0.00 C ATOM 539 OD1 ASP A 27 -8.722 -16.764 0.898 1.00 0.00 O ATOM 540 OD2 ASP A 27 -10.165 -15.746 -0.407 1.00 0.00 O ATOM 0 H ASP A 27 -9.854 -13.001 0.045 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.838 -13.952 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.247 -14.257 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.042 -15.116 -0.150 1.00 0.00 H new ATOM 545 N ARG A 28 -7.363 -11.276 0.271 1.00 0.00 N ATOM 546 CA ARG A 28 -6.534 -10.145 -0.136 1.00 0.00 C ATOM 547 C ARG A 28 -6.790 -8.931 0.753 1.00 0.00 C ATOM 548 O ARG A 28 -7.828 -8.839 1.410 1.00 0.00 O ATOM 549 CB ARG A 28 -6.838 -9.801 -1.611 1.00 0.00 C ATOM 550 CG ARG A 28 -5.976 -10.524 -2.661 1.00 0.00 C ATOM 551 CD ARG A 28 -6.169 -12.029 -2.831 1.00 0.00 C ATOM 552 NE ARG A 28 -7.313 -12.364 -3.697 1.00 0.00 N ATOM 553 CZ ARG A 28 -7.649 -13.620 -4.011 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.013 -14.641 -3.456 1.00 0.00 N ATOM 555 NH2 ARG A 28 -8.623 -13.891 -4.870 1.00 0.00 N ATOM 0 H ARG A 28 -8.350 -11.021 0.315 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.484 -10.419 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.885 -10.030 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.715 -8.726 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.159 -10.052 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.929 -10.347 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.262 -12.462 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.315 -12.485 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.876 -11.602 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.263 -14.471 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.273 -15.597 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.140 -13.131 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.855 -14.860 -5.089 1.00 0.00 H new ATOM 569 N VAL A 29 -5.849 -7.987 0.753 1.00 0.00 N ATOM 570 CA VAL A 29 -5.896 -6.751 1.521 1.00 0.00 C ATOM 571 C VAL A 29 -5.412 -5.584 0.629 1.00 0.00 C ATOM 572 O VAL A 29 -4.407 -5.725 -0.084 1.00 0.00 O ATOM 573 CB VAL A 29 -5.091 -6.906 2.835 1.00 0.00 C ATOM 574 CG1 VAL A 29 -5.780 -7.899 3.786 1.00 0.00 C ATOM 575 CG2 VAL A 29 -3.638 -7.372 2.639 1.00 0.00 C ATOM 0 H VAL A 29 -5.000 -8.070 0.194 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.918 -6.521 1.823 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.063 -5.902 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.196 -7.991 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.779 -7.537 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.854 -8.874 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.148 -7.454 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.631 -8.344 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.104 -6.649 2.023 1.00 0.00 H new ATOM 585 N PRO A 30 -6.130 -4.443 0.596 1.00 0.00 N ATOM 586 CA PRO A 30 -5.756 -3.276 -0.198 1.00 0.00 C ATOM 587 C PRO A 30 -4.727 -2.422 0.569 1.00 0.00 C ATOM 588 O PRO A 30 -4.931 -2.068 1.740 1.00 0.00 O ATOM 589 CB PRO A 30 -7.066 -2.525 -0.408 1.00 0.00 C ATOM 590 CG PRO A 30 -7.814 -2.769 0.904 1.00 0.00 C ATOM 591 CD PRO A 30 -7.342 -4.152 1.357 1.00 0.00 C ATOM 0 HA PRO A 30 -5.286 -3.536 -1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.899 -1.463 -0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.619 -2.909 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.577 -2.005 1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.894 -2.746 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.140 -4.162 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.108 -4.904 1.170 1.00 0.00 H new ATOM 599 N VAL A 31 -3.628 -2.055 -0.095 1.00 0.00 N ATOM 600 CA VAL A 31 -2.581 -1.266 0.539 1.00 0.00 C ATOM 601 C VAL A 31 -2.085 -0.182 -0.410 1.00 0.00 C ATOM 602 O VAL A 31 -1.753 -0.465 -1.565 1.00 0.00 O ATOM 603 CB VAL A 31 -1.420 -2.195 0.957 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.375 -1.451 1.786 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.867 -3.454 1.715 1.00 0.00 C ATOM 0 H VAL A 31 -3.445 -2.293 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.985 -0.779 1.427 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.980 -2.525 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.426 -2.137 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.036 -0.629 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.841 -1.056 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.993 -4.053 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.390 -3.164 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.536 -4.040 1.085 1.00 0.00 H new ATOM 615 N ILE A 32 -2.014 1.055 0.074 1.00 0.00 N ATOM 616 CA ILE A 32 -1.524 2.182 -0.703 1.00 0.00 C ATOM 617 C ILE A 32 -0.061 2.317 -0.297 1.00 0.00 C ATOM 618 O ILE A 32 0.265 2.231 0.896 1.00 0.00 O ATOM 619 CB ILE A 32 -2.272 3.512 -0.425 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.783 3.368 -0.170 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.051 4.453 -1.625 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.450 4.697 0.220 1.00 0.00 C ATOM 0 H ILE A 32 -2.297 1.302 1.022 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.676 1.997 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.856 3.910 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.262 2.975 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.945 2.639 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.570 5.395 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.985 4.643 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.442 3.987 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.515 4.534 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.993 5.079 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.316 5.421 -0.584 1.00 0.00 H new ATOM 634 N VAL A 33 0.837 2.505 -1.261 1.00 0.00 N ATOM 635 CA VAL A 33 2.259 2.677 -0.988 1.00 0.00 C ATOM 636 C VAL A 33 2.573 4.172 -1.125 1.00 0.00 C ATOM 637 O VAL A 33 1.975 4.861 -1.960 1.00 0.00 O ATOM 638 CB VAL A 33 3.098 1.742 -1.885 1.00 0.00 C ATOM 639 CG1 VAL A 33 3.195 2.197 -3.344 1.00 0.00 C ATOM 640 CG2 VAL A 33 4.517 1.566 -1.332 1.00 0.00 C ATOM 0 H VAL A 33 0.598 2.542 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 33 2.527 2.380 0.026 1.00 0.00 H new ATOM 0 HB VAL A 33 2.562 0.793 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.801 1.487 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.196 2.245 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.658 3.183 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.083 0.902 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.012 2.536 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.467 1.134 -0.332 1.00 0.00 H new ATOM 650 N GLU A 34 3.477 4.682 -0.292 1.00 0.00 N ATOM 651 CA GLU A 34 3.911 6.068 -0.292 1.00 0.00 C ATOM 652 C GLU A 34 5.437 6.106 -0.204 1.00 0.00 C ATOM 653 O GLU A 34 6.073 5.159 0.266 1.00 0.00 O ATOM 654 CB GLU A 34 3.223 6.818 0.862 1.00 0.00 C ATOM 655 CG GLU A 34 3.648 8.272 1.071 1.00 0.00 C ATOM 656 CD GLU A 34 3.223 9.170 -0.088 1.00 0.00 C ATOM 657 OE1 GLU A 34 3.577 8.888 -1.258 1.00 0.00 O ATOM 658 OE2 GLU A 34 2.441 10.107 0.192 1.00 0.00 O ATOM 0 H GLU A 34 3.940 4.120 0.423 1.00 0.00 H new ATOM 0 HA GLU A 34 3.623 6.573 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.147 6.797 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.410 6.270 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.212 8.646 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.731 8.319 1.187 1.00 0.00 H new ATOM 665 N LYS A 35 6.030 7.201 -0.670 1.00 0.00 N ATOM 666 CA LYS A 35 7.463 7.441 -0.676 1.00 0.00 C ATOM 667 C LYS A 35 7.776 8.543 0.320 1.00 0.00 C ATOM 668 O LYS A 35 6.987 9.477 0.472 1.00 0.00 O ATOM 669 CB LYS A 35 7.975 7.741 -2.097 1.00 0.00 C ATOM 670 CG LYS A 35 7.564 9.099 -2.702 1.00 0.00 C ATOM 671 CD LYS A 35 8.493 10.279 -2.358 1.00 0.00 C ATOM 672 CE LYS A 35 9.963 10.079 -2.748 1.00 0.00 C ATOM 673 NZ LYS A 35 10.126 9.807 -4.190 1.00 0.00 N ATOM 0 H LYS A 35 5.500 7.975 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 35 7.995 6.542 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.064 7.687 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.623 6.951 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.519 8.997 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.557 9.340 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.119 11.174 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.439 10.464 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.532 10.970 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.380 9.251 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.135 9.679 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.605 8.943 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.753 10.608 -4.739 1.00 0.00 H new ATOM 687 N ALA A 36 8.880 8.405 1.041 1.00 0.00 N ATOM 688 CA ALA A 36 9.313 9.407 2.002 1.00 0.00 C ATOM 689 C ALA A 36 10.224 10.383 1.241 1.00 0.00 C ATOM 690 O ALA A 36 10.787 10.012 0.207 1.00 0.00 O ATOM 691 CB ALA A 36 10.110 8.689 3.093 1.00 0.00 C ATOM 0 H ALA A 36 9.499 7.597 0.976 1.00 0.00 H new ATOM 0 HA ALA A 36 8.478 9.942 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.450 9.414 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.476 7.947 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.972 8.193 2.647 1.00 0.00 H new ATOM 697 N PRO A 37 10.412 11.610 1.749 1.00 0.00 N ATOM 698 CA PRO A 37 11.268 12.610 1.099 1.00 0.00 C ATOM 699 C PRO A 37 12.726 12.161 1.118 1.00 0.00 C ATOM 700 O PRO A 37 13.522 12.371 0.198 1.00 0.00 O ATOM 701 CB PRO A 37 11.050 13.885 1.908 1.00 0.00 C ATOM 702 CG PRO A 37 10.482 13.438 3.255 1.00 0.00 C ATOM 703 CD PRO A 37 9.797 12.119 2.967 1.00 0.00 C ATOM 0 HA PRO A 37 11.023 12.759 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.986 14.428 2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.361 14.558 1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.271 13.320 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.779 14.171 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.930 11.421 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.724 12.256 2.835 1.00 0.00 H new ATOM 711 N LYS A 38 13.066 11.499 2.213 1.00 0.00 N ATOM 712 CA LYS A 38 14.370 10.924 2.507 1.00 0.00 C ATOM 713 C LYS A 38 14.521 9.598 1.748 1.00 0.00 C ATOM 714 O LYS A 38 14.665 8.525 2.333 1.00 0.00 O ATOM 715 CB LYS A 38 14.536 10.824 4.031 1.00 0.00 C ATOM 716 CG LYS A 38 14.549 12.216 4.706 1.00 0.00 C ATOM 717 CD LYS A 38 15.800 13.025 4.333 1.00 0.00 C ATOM 718 CE LYS A 38 15.964 14.272 5.206 1.00 0.00 C ATOM 719 NZ LYS A 38 17.161 15.057 4.829 1.00 0.00 N ATOM 0 H LYS A 38 12.398 11.339 2.967 1.00 0.00 H new ATOM 0 HA LYS A 38 15.186 11.556 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.723 10.228 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.464 10.301 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.658 12.770 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.505 12.094 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.683 12.394 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.740 13.322 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.076 14.898 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.039 13.975 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.236 15.893 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.011 14.468 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.078 15.362 3.838 1.00 0.00 H new ATOM 733 N ALA A 39 14.395 9.663 0.425 1.00 0.00 N ATOM 734 CA ALA A 39 14.513 8.545 -0.487 1.00 0.00 C ATOM 735 C ALA A 39 15.539 8.882 -1.564 1.00 0.00 C ATOM 736 O ALA A 39 15.730 10.052 -1.913 1.00 0.00 O ATOM 737 CB ALA A 39 13.139 8.243 -1.094 1.00 0.00 C ATOM 0 H ALA A 39 14.199 10.541 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 39 14.855 7.655 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.222 7.402 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.437 7.993 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.779 9.119 -1.634 1.00 0.00 H new ATOM 743 N ARG A 40 16.117 7.846 -2.168 1.00 0.00 N ATOM 744 CA ARG A 40 17.117 7.905 -3.243 1.00 0.00 C ATOM 745 C ARG A 40 16.656 6.954 -4.362 1.00 0.00 C ATOM 746 O ARG A 40 17.453 6.230 -4.954 1.00 0.00 O ATOM 747 CB ARG A 40 18.502 7.564 -2.640 1.00 0.00 C ATOM 748 CG ARG A 40 19.749 8.062 -3.398 1.00 0.00 C ATOM 749 CD ARG A 40 20.031 7.289 -4.691 1.00 0.00 C ATOM 750 NE ARG A 40 21.396 7.474 -5.208 1.00 0.00 N ATOM 751 CZ ARG A 40 21.793 7.204 -6.462 1.00 0.00 C ATOM 752 NH1 ARG A 40 20.976 6.641 -7.348 1.00 0.00 N ATOM 753 NH2 ARG A 40 23.009 7.543 -6.854 1.00 0.00 N ATOM 0 H ARG A 40 15.890 6.886 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 40 17.214 8.896 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.538 7.970 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.573 6.480 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.621 9.118 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.617 7.986 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.861 6.227 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 40 19.318 7.603 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 40 22.097 7.836 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 40 20.021 6.403 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.305 6.447 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 40 23.643 8.008 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 40 23.313 7.339 -7.806 1.00 0.00 H new ATOM 767 N VAL A 41 15.348 6.883 -4.612 1.00 0.00 N ATOM 768 CA VAL A 41 14.785 6.007 -5.632 1.00 0.00 C ATOM 769 C VAL A 41 13.736 6.725 -6.480 1.00 0.00 C ATOM 770 O VAL A 41 13.132 7.693 -6.003 1.00 0.00 O ATOM 771 CB VAL A 41 14.182 4.758 -4.958 1.00 0.00 C ATOM 772 CG1 VAL A 41 15.259 3.946 -4.245 1.00 0.00 C ATOM 773 CG2 VAL A 41 13.081 5.073 -3.936 1.00 0.00 C ATOM 0 H VAL A 41 14.651 7.433 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 41 15.586 5.705 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 41 13.736 4.191 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.806 3.071 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.010 3.625 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.732 4.561 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.707 4.144 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.489 5.701 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.264 5.598 -4.431 1.00 0.00 H new ATOM 783 N PRO A 42 13.481 6.260 -7.715 1.00 0.00 N ATOM 784 CA PRO A 42 12.471 6.870 -8.561 1.00 0.00 C ATOM 785 C PRO A 42 11.074 6.576 -8.008 1.00 0.00 C ATOM 786 O PRO A 42 10.864 5.623 -7.250 1.00 0.00 O ATOM 787 CB PRO A 42 12.677 6.263 -9.944 1.00 0.00 C ATOM 788 CG PRO A 42 13.359 4.918 -9.691 1.00 0.00 C ATOM 789 CD PRO A 42 14.133 5.144 -8.396 1.00 0.00 C ATOM 0 HA PRO A 42 12.559 7.956 -8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.727 6.132 -10.463 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.295 6.907 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.631 4.113 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.022 4.645 -10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 42 14.120 4.249 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.178 5.373 -8.603 1.00 0.00 H new ATOM 797 N ASP A 43 10.117 7.418 -8.371 1.00 0.00 N ATOM 798 CA ASP A 43 8.715 7.327 -7.970 1.00 0.00 C ATOM 799 C ASP A 43 7.911 6.545 -9.014 1.00 0.00 C ATOM 800 O ASP A 43 8.447 6.215 -10.075 1.00 0.00 O ATOM 801 CB ASP A 43 8.142 8.716 -7.691 1.00 0.00 C ATOM 802 CG ASP A 43 7.774 9.459 -8.970 1.00 0.00 C ATOM 803 OD1 ASP A 43 8.664 10.114 -9.561 1.00 0.00 O ATOM 804 OD2 ASP A 43 6.584 9.436 -9.355 1.00 0.00 O ATOM 0 H ASP A 43 10.301 8.217 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 43 8.643 6.770 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.257 8.622 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.871 9.301 -7.131 1.00 0.00 H new ATOM 809 N LEU A 44 6.682 6.128 -8.690 1.00 0.00 N ATOM 810 CA LEU A 44 5.839 5.366 -9.610 1.00 0.00 C ATOM 811 C LEU A 44 4.519 6.087 -9.824 1.00 0.00 C ATOM 812 O LEU A 44 3.918 6.598 -8.883 1.00 0.00 O ATOM 813 CB LEU A 44 5.608 3.932 -9.101 1.00 0.00 C ATOM 814 CG LEU A 44 6.866 3.045 -9.140 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.579 1.705 -8.450 1.00 0.00 C ATOM 816 CD2 LEU A 44 7.319 2.764 -10.579 1.00 0.00 C ATOM 0 H LEU A 44 6.247 6.310 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 44 6.356 5.291 -10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.238 3.976 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.828 3.465 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 44 7.660 3.583 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.472 1.081 -8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.296 1.883 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.764 1.197 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.209 2.135 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.522 2.252 -11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.548 3.705 -11.079 1.00 0.00 H new ATOM 828 N ASP A 45 4.025 6.022 -11.059 1.00 0.00 N ATOM 829 CA ASP A 45 2.787 6.634 -11.555 1.00 0.00 C ATOM 830 C ASP A 45 1.510 6.054 -10.947 1.00 0.00 C ATOM 831 O ASP A 45 0.402 6.413 -11.361 1.00 0.00 O ATOM 832 CB ASP A 45 2.717 6.480 -13.084 1.00 0.00 C ATOM 833 CG ASP A 45 3.711 7.385 -13.788 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.527 8.618 -13.759 1.00 0.00 O ATOM 835 OD2 ASP A 45 4.667 6.867 -14.416 1.00 0.00 O ATOM 0 H ASP A 45 4.510 5.505 -11.792 1.00 0.00 H new ATOM 0 HA ASP A 45 2.830 7.681 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.915 5.443 -13.354 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.709 6.712 -13.427 1.00 0.00 H new ATOM 840 N LYS A 46 1.630 5.114 -10.013 1.00 0.00 N ATOM 841 CA LYS A 46 0.525 4.462 -9.341 1.00 0.00 C ATOM 842 C LYS A 46 0.888 4.301 -7.873 1.00 0.00 C ATOM 843 O LYS A 46 2.056 4.094 -7.537 1.00 0.00 O ATOM 844 CB LYS A 46 0.196 3.120 -10.021 1.00 0.00 C ATOM 845 CG LYS A 46 1.343 2.087 -10.047 1.00 0.00 C ATOM 846 CD LYS A 46 2.267 2.172 -11.266 1.00 0.00 C ATOM 847 CE LYS A 46 3.287 1.029 -11.221 1.00 0.00 C ATOM 848 NZ LYS A 46 2.684 -0.299 -11.484 1.00 0.00 N ATOM 0 H LYS A 46 2.539 4.777 -9.696 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.379 5.067 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.659 2.675 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.113 3.319 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.944 2.211 -9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.911 1.087 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.681 2.114 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.783 3.132 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.069 1.219 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.767 1.016 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.894 -0.939 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.654 -0.199 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.080 -0.693 -12.361 1.00 0.00 H new ATOM 862 N ARG A 47 -0.111 4.424 -7.002 1.00 0.00 N ATOM 863 CA ARG A 47 0.044 4.295 -5.554 1.00 0.00 C ATOM 864 C ARG A 47 -0.925 3.287 -4.939 1.00 0.00 C ATOM 865 O ARG A 47 -0.612 2.742 -3.883 1.00 0.00 O ATOM 866 CB ARG A 47 0.008 5.671 -4.863 1.00 0.00 C ATOM 867 CG ARG A 47 -1.085 6.644 -5.353 1.00 0.00 C ATOM 868 CD ARG A 47 -0.593 7.621 -6.440 1.00 0.00 C ATOM 869 NE ARG A 47 0.366 8.581 -5.878 1.00 0.00 N ATOM 870 CZ ARG A 47 0.744 9.758 -6.385 1.00 0.00 C ATOM 871 NH1 ARG A 47 0.450 10.125 -7.625 1.00 0.00 N ATOM 872 NH2 ARG A 47 1.399 10.595 -5.594 1.00 0.00 N ATOM 0 H ARG A 47 -1.070 4.620 -7.288 1.00 0.00 H new ATOM 0 HA ARG A 47 1.035 3.878 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.125 5.515 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.979 6.149 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.924 6.069 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.459 7.216 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.125 7.064 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.442 8.155 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 47 0.796 8.317 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.083 9.500 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.757 11.033 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.600 10.333 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.702 11.502 -5.950 1.00 0.00 H new ATOM 886 N LYS A 48 -2.083 3.036 -5.558 1.00 0.00 N ATOM 887 CA LYS A 48 -3.071 2.083 -5.061 1.00 0.00 C ATOM 888 C LYS A 48 -2.583 0.681 -5.418 1.00 0.00 C ATOM 889 O LYS A 48 -2.374 0.418 -6.599 1.00 0.00 O ATOM 890 CB LYS A 48 -4.415 2.336 -5.775 1.00 0.00 C ATOM 891 CG LYS A 48 -5.085 3.685 -5.462 1.00 0.00 C ATOM 892 CD LYS A 48 -6.213 3.983 -6.471 1.00 0.00 C ATOM 893 CE LYS A 48 -7.068 5.196 -6.082 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.909 4.934 -4.897 1.00 0.00 N ATOM 0 H LYS A 48 -2.360 3.495 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.201 2.188 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.253 2.271 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.105 1.536 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.491 3.669 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.342 4.482 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.776 4.155 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.855 3.107 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.417 6.047 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.705 5.473 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.912 4.999 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.708 3.981 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.699 5.637 -4.160 1.00 0.00 H new ATOM 908 N TYR A 49 -2.424 -0.233 -4.466 1.00 0.00 N ATOM 909 CA TYR A 49 -1.975 -1.597 -4.725 1.00 0.00 C ATOM 910 C TYR A 49 -2.855 -2.582 -3.929 1.00 0.00 C ATOM 911 O TYR A 49 -3.605 -2.184 -3.028 1.00 0.00 O ATOM 912 CB TYR A 49 -0.482 -1.729 -4.379 1.00 0.00 C ATOM 913 CG TYR A 49 0.549 -1.250 -5.407 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.895 0.111 -5.492 1.00 0.00 C ATOM 915 CD2 TYR A 49 1.237 -2.165 -6.230 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.875 0.559 -6.401 1.00 0.00 C ATOM 917 CE2 TYR A 49 2.235 -1.740 -7.122 1.00 0.00 C ATOM 918 CZ TYR A 49 2.548 -0.371 -7.225 1.00 0.00 C ATOM 919 OH TYR A 49 3.489 0.040 -8.119 1.00 0.00 O ATOM 0 H TYR A 49 -2.606 -0.045 -3.480 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.081 -1.839 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.306 -1.182 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.281 -2.780 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.401 0.825 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.991 -3.215 -6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.111 1.611 -6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.762 -2.462 -7.728 1.00 0.00 H new ATOM 0 HH TYR A 49 3.847 -0.737 -8.598 1.00 0.00 H new ATOM 929 N LEU A 50 -2.830 -3.871 -4.287 1.00 0.00 N ATOM 930 CA LEU A 50 -3.590 -4.933 -3.630 1.00 0.00 C ATOM 931 C LEU A 50 -2.750 -6.219 -3.616 1.00 0.00 C ATOM 932 O LEU A 50 -2.221 -6.622 -4.661 1.00 0.00 O ATOM 933 CB LEU A 50 -4.950 -5.051 -4.329 1.00 0.00 C ATOM 934 CG LEU A 50 -5.923 -6.022 -3.638 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.369 -5.589 -3.909 1.00 0.00 C ATOM 936 CD2 LEU A 50 -5.751 -7.452 -4.146 1.00 0.00 C ATOM 0 H LEU A 50 -2.263 -4.210 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.800 -4.714 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.410 -4.064 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.792 -5.380 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.703 -5.997 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.054 -6.280 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.527 -4.583 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.556 -5.596 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.456 -8.107 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.941 -7.482 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.733 -7.788 -3.948 1.00 0.00 H new ATOM 948 N VAL A 51 -2.673 -6.876 -2.453 1.00 0.00 N ATOM 949 CA VAL A 51 -1.889 -8.098 -2.241 1.00 0.00 C ATOM 950 C VAL A 51 -2.639 -9.156 -1.425 1.00 0.00 C ATOM 951 O VAL A 51 -3.541 -8.797 -0.663 1.00 0.00 O ATOM 952 CB VAL A 51 -0.610 -7.728 -1.443 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.442 -7.045 -2.315 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.890 -6.867 -0.196 1.00 0.00 C ATOM 0 H VAL A 51 -3.165 -6.566 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.671 -8.513 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.215 -8.684 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.317 -6.807 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.732 -7.713 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.028 -6.127 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.049 -6.647 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.367 -5.934 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.550 -7.410 0.480 1.00 0.00 H new ATOM 964 N PRO A 52 -2.276 -10.448 -1.541 1.00 0.00 N ATOM 965 CA PRO A 52 -2.889 -11.513 -0.764 1.00 0.00 C ATOM 966 C PRO A 52 -2.371 -11.347 0.670 1.00 0.00 C ATOM 967 O PRO A 52 -1.199 -11.016 0.873 1.00 0.00 O ATOM 968 CB PRO A 52 -2.450 -12.822 -1.416 1.00 0.00 C ATOM 969 CG PRO A 52 -1.141 -12.477 -2.113 1.00 0.00 C ATOM 970 CD PRO A 52 -1.247 -10.984 -2.416 1.00 0.00 C ATOM 0 HA PRO A 52 -3.979 -11.496 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.310 -13.608 -0.674 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.195 -13.182 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.284 -12.692 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.013 -13.059 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.293 -10.486 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.505 -10.820 -3.462 1.00 0.00 H new ATOM 978 N SER A 53 -3.202 -11.599 1.679 1.00 0.00 N ATOM 979 CA SER A 53 -2.793 -11.437 3.079 1.00 0.00 C ATOM 980 C SER A 53 -1.655 -12.389 3.497 1.00 0.00 C ATOM 981 O SER A 53 -0.906 -12.112 4.431 1.00 0.00 O ATOM 982 CB SER A 53 -4.016 -11.570 4.008 1.00 0.00 C ATOM 983 OG SER A 53 -5.229 -11.768 3.299 1.00 0.00 O ATOM 0 H SER A 53 -4.164 -11.916 1.557 1.00 0.00 H new ATOM 0 HA SER A 53 -2.381 -10.433 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.859 -12.406 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.101 -10.672 4.619 1.00 0.00 H new ATOM 0 HG SER A 53 -5.970 -11.847 3.935 1.00 0.00 H new ATOM 989 N ASP A 54 -1.489 -13.499 2.784 1.00 0.00 N ATOM 990 CA ASP A 54 -0.480 -14.520 3.047 1.00 0.00 C ATOM 991 C ASP A 54 0.923 -14.095 2.600 1.00 0.00 C ATOM 992 O ASP A 54 1.897 -14.712 3.026 1.00 0.00 O ATOM 993 CB ASP A 54 -0.833 -15.827 2.308 1.00 0.00 C ATOM 994 CG ASP A 54 -2.290 -16.270 2.441 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.854 -16.252 3.556 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.916 -16.558 1.393 1.00 0.00 O ATOM 0 H ASP A 54 -2.074 -13.720 1.978 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.475 -14.667 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.602 -15.703 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.191 -16.624 2.683 1.00 0.00 H new ATOM 1001 N LEU A 55 1.044 -13.078 1.739 1.00 0.00 N ATOM 1002 CA LEU A 55 2.320 -12.600 1.213 1.00 0.00 C ATOM 1003 C LEU A 55 3.249 -12.084 2.306 1.00 0.00 C ATOM 1004 O LEU A 55 2.832 -11.301 3.158 1.00 0.00 O ATOM 1005 CB LEU A 55 2.049 -11.497 0.175 1.00 0.00 C ATOM 1006 CG LEU A 55 3.286 -10.863 -0.490 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.167 -11.928 -1.143 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.817 -9.874 -1.563 1.00 0.00 C ATOM 0 H LEU A 55 0.242 -12.558 1.384 1.00 0.00 H new ATOM 0 HA LEU A 55 2.830 -13.443 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.416 -11.913 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.478 -10.705 0.659 1.00 0.00 H new ATOM 0 HG LEU A 55 3.872 -10.354 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.032 -11.452 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.503 -12.636 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.594 -12.456 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.684 -9.418 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.226 -10.402 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.208 -9.097 -1.101 1.00 0.00 H new ATOM 1020 N THR A 56 4.510 -12.514 2.294 1.00 0.00 N ATOM 1021 CA THR A 56 5.496 -12.054 3.262 1.00 0.00 C ATOM 1022 C THR A 56 5.939 -10.645 2.826 1.00 0.00 C ATOM 1023 O THR A 56 6.092 -10.393 1.628 1.00 0.00 O ATOM 1024 CB THR A 56 6.710 -12.995 3.310 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.508 -14.269 2.721 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.201 -13.215 4.741 1.00 0.00 C ATOM 0 H THR A 56 4.872 -13.186 1.617 1.00 0.00 H new ATOM 0 HA THR A 56 5.060 -12.040 4.261 1.00 0.00 H new ATOM 0 HB THR A 56 7.456 -12.470 2.713 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.330 -14.798 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.060 -13.886 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.492 -12.259 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.402 -13.657 5.336 1.00 0.00 H new ATOM 1034 N VAL A 57 6.211 -9.735 3.765 1.00 0.00 N ATOM 1035 CA VAL A 57 6.630 -8.375 3.437 1.00 0.00 C ATOM 1036 C VAL A 57 7.950 -8.365 2.654 1.00 0.00 C ATOM 1037 O VAL A 57 8.120 -7.537 1.757 1.00 0.00 O ATOM 1038 CB VAL A 57 6.675 -7.478 4.694 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.307 -7.377 5.383 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.710 -7.909 5.733 1.00 0.00 C ATOM 0 H VAL A 57 6.147 -9.921 4.766 1.00 0.00 H new ATOM 0 HA VAL A 57 5.877 -7.945 2.777 1.00 0.00 H new ATOM 0 HB VAL A 57 6.973 -6.503 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.388 -6.736 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.581 -6.952 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.979 -8.371 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.677 -7.228 6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.487 -8.921 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.704 -7.885 5.287 1.00 0.00 H new ATOM 1050 N GLY A 58 8.863 -9.308 2.933 1.00 0.00 N ATOM 1051 CA GLY A 58 10.147 -9.396 2.248 1.00 0.00 C ATOM 1052 C GLY A 58 9.976 -9.653 0.750 1.00 0.00 C ATOM 1053 O GLY A 58 10.623 -8.989 -0.058 1.00 0.00 O ATOM 0 H GLY A 58 8.725 -10.028 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.702 -8.470 2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.740 -10.197 2.689 1.00 0.00 H new ATOM 1057 N GLN A 59 9.086 -10.571 0.360 1.00 0.00 N ATOM 1058 CA GLN A 59 8.825 -10.909 -1.040 1.00 0.00 C ATOM 1059 C GLN A 59 8.356 -9.674 -1.809 1.00 0.00 C ATOM 1060 O GLN A 59 8.905 -9.375 -2.876 1.00 0.00 O ATOM 1061 CB GLN A 59 7.755 -12.020 -1.103 1.00 0.00 C ATOM 1062 CG GLN A 59 8.348 -13.435 -1.151 1.00 0.00 C ATOM 1063 CD GLN A 59 9.130 -13.664 -2.442 1.00 0.00 C ATOM 1064 OE1 GLN A 59 8.667 -13.324 -3.526 1.00 0.00 O ATOM 1065 NE2 GLN A 59 10.340 -14.189 -2.357 1.00 0.00 N ATOM 0 H GLN A 59 8.520 -11.107 1.018 1.00 0.00 H new ATOM 0 HA GLN A 59 9.745 -11.266 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.103 -11.936 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.132 -11.865 -1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.004 -13.586 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.547 -14.170 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.713 -14.467 -1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.901 -14.316 -3.199 1.00 0.00 H new ATOM 1074 N PHE A 60 7.403 -8.929 -1.233 1.00 0.00 N ATOM 1075 CA PHE A 60 6.877 -7.722 -1.851 1.00 0.00 C ATOM 1076 C PHE A 60 8.003 -6.700 -2.007 1.00 0.00 C ATOM 1077 O PHE A 60 8.172 -6.110 -3.079 1.00 0.00 O ATOM 1078 CB PHE A 60 5.735 -7.127 -1.009 1.00 0.00 C ATOM 1079 CG PHE A 60 5.299 -5.742 -1.464 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.808 -5.549 -2.767 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.430 -4.631 -0.607 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.466 -4.259 -3.206 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.034 -3.349 -1.026 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.560 -3.160 -2.334 1.00 0.00 C ATOM 0 H PHE A 60 6.982 -9.151 -0.331 1.00 0.00 H new ATOM 0 HA PHE A 60 6.476 -7.976 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.878 -7.799 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.052 -7.075 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.694 -6.393 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.839 -4.766 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.128 -4.110 -4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.094 -2.513 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.269 -2.175 -2.669 1.00 0.00 H new ATOM 1094 N TYR A 61 8.794 -6.517 -0.945 1.00 0.00 N ATOM 1095 CA TYR A 61 9.886 -5.563 -0.945 1.00 0.00 C ATOM 1096 C TYR A 61 10.917 -5.875 -2.018 1.00 0.00 C ATOM 1097 O TYR A 61 11.272 -4.991 -2.793 1.00 0.00 O ATOM 1098 CB TYR A 61 10.532 -5.500 0.443 1.00 0.00 C ATOM 1099 CG TYR A 61 11.047 -4.120 0.752 1.00 0.00 C ATOM 1100 CD1 TYR A 61 10.126 -3.058 0.803 1.00 0.00 C ATOM 1101 CD2 TYR A 61 12.415 -3.888 0.978 1.00 0.00 C ATOM 1102 CE1 TYR A 61 10.561 -1.756 1.060 1.00 0.00 C ATOM 1103 CE2 TYR A 61 12.853 -2.592 1.289 1.00 0.00 C ATOM 1104 CZ TYR A 61 11.920 -1.534 1.345 1.00 0.00 C ATOM 1105 OH TYR A 61 12.336 -0.307 1.715 1.00 0.00 O ATOM 0 H TYR A 61 8.689 -7.028 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 61 9.473 -4.583 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.803 -5.794 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.353 -6.216 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.076 -3.251 0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.123 -4.701 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.864 -0.932 1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.898 -2.405 1.485 1.00 0.00 H new ATOM 0 HH TYR A 61 11.569 0.218 2.026 1.00 0.00 H new ATOM 1115 N PHE A 62 11.345 -7.134 -2.132 1.00 0.00 N ATOM 1116 CA PHE A 62 12.317 -7.540 -3.136 1.00 0.00 C ATOM 1117 C PHE A 62 11.757 -7.276 -4.536 1.00 0.00 C ATOM 1118 O PHE A 62 12.505 -6.885 -5.433 1.00 0.00 O ATOM 1119 CB PHE A 62 12.721 -9.013 -2.954 1.00 0.00 C ATOM 1120 CG PHE A 62 13.848 -9.249 -1.965 1.00 0.00 C ATOM 1121 CD1 PHE A 62 15.143 -8.774 -2.257 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.634 -9.992 -0.788 1.00 0.00 C ATOM 1123 CE1 PHE A 62 16.211 -9.046 -1.385 1.00 0.00 C ATOM 1124 CE2 PHE A 62 14.701 -10.252 0.091 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.991 -9.788 -0.213 1.00 0.00 C ATOM 0 H PHE A 62 11.026 -7.894 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 62 13.222 -6.946 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.847 -9.577 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.017 -9.416 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.315 -8.199 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.646 -10.364 -0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.202 -8.684 -1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.528 -10.809 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.813 -10.002 0.454 1.00 0.00 H new ATOM 1135 N LEU A 63 10.460 -7.497 -4.759 1.00 0.00 N ATOM 1136 CA LEU A 63 9.856 -7.276 -6.065 1.00 0.00 C ATOM 1137 C LEU A 63 9.910 -5.794 -6.441 1.00 0.00 C ATOM 1138 O LEU A 63 10.373 -5.448 -7.529 1.00 0.00 O ATOM 1139 CB LEU A 63 8.423 -7.823 -6.081 1.00 0.00 C ATOM 1140 CG LEU A 63 7.874 -7.972 -7.511 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.575 -9.096 -8.283 1.00 0.00 C ATOM 1142 CD2 LEU A 63 6.380 -8.281 -7.424 1.00 0.00 C ATOM 0 H LEU A 63 9.810 -7.830 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 63 10.426 -7.818 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.400 -8.792 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.775 -7.156 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 63 8.056 -7.041 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.155 -9.165 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.642 -8.881 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.427 -10.042 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.972 -8.390 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.232 -9.208 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.869 -7.466 -6.912 1.00 0.00 H new ATOM 1154 N ILE A 64 9.459 -4.900 -5.555 1.00 0.00 N ATOM 1155 CA ILE A 64 9.489 -3.467 -5.849 1.00 0.00 C ATOM 1156 C ILE A 64 10.943 -2.985 -5.933 1.00 0.00 C ATOM 1157 O ILE A 64 11.236 -2.145 -6.782 1.00 0.00 O ATOM 1158 CB ILE A 64 8.591 -2.671 -4.885 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.118 -3.148 -4.940 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.650 -1.157 -5.161 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.440 -3.109 -6.320 1.00 0.00 C ATOM 0 H ILE A 64 9.074 -5.140 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 64 9.052 -3.279 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 64 8.982 -2.859 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.076 -4.171 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.534 -2.534 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.002 -0.634 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.675 -0.805 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.315 -0.960 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.414 -3.466 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.437 -2.086 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.988 -3.748 -7.013 1.00 0.00 H new ATOM 1173 N ARG A 65 11.874 -3.543 -5.145 1.00 0.00 N ATOM 1174 CA ARG A 65 13.296 -3.181 -5.178 1.00 0.00 C ATOM 1175 C ARG A 65 13.779 -3.373 -6.623 1.00 0.00 C ATOM 1176 O ARG A 65 14.400 -2.471 -7.188 1.00 0.00 O ATOM 1177 CB ARG A 65 14.065 -4.051 -4.168 1.00 0.00 C ATOM 1178 CG ARG A 65 15.503 -3.603 -3.881 1.00 0.00 C ATOM 1179 CD ARG A 65 16.122 -4.605 -2.895 1.00 0.00 C ATOM 1180 NE ARG A 65 17.453 -4.205 -2.396 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.959 -4.547 -1.201 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.250 -5.279 -0.348 1.00 0.00 N ATOM 1183 NH2 ARG A 65 19.182 -4.172 -0.844 1.00 0.00 N ATOM 0 H ARG A 65 11.657 -4.266 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 65 13.467 -2.144 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.512 -4.064 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.088 -5.076 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.083 -3.568 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.513 -2.598 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 65 15.449 -4.729 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.204 -5.577 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 65 18.031 -3.626 -3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.311 -5.587 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.645 -5.533 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.751 -3.616 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.552 -4.440 0.068 1.00 0.00 H new ATOM 1197 N LYS A 66 13.424 -4.505 -7.255 1.00 0.00 N ATOM 1198 CA LYS A 66 13.790 -4.783 -8.647 1.00 0.00 C ATOM 1199 C LYS A 66 13.093 -3.796 -9.584 1.00 0.00 C ATOM 1200 O LYS A 66 13.696 -3.362 -10.567 1.00 0.00 O ATOM 1201 CB LYS A 66 13.403 -6.213 -9.065 1.00 0.00 C ATOM 1202 CG LYS A 66 14.167 -7.316 -8.322 1.00 0.00 C ATOM 1203 CD LYS A 66 13.623 -8.699 -8.712 1.00 0.00 C ATOM 1204 CE LYS A 66 13.988 -9.760 -7.669 1.00 0.00 C ATOM 1205 NZ LYS A 66 12.969 -9.874 -6.607 1.00 0.00 N ATOM 0 H LYS A 66 12.879 -5.246 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 66 14.872 -4.677 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.335 -6.351 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.575 -6.325 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 66 15.229 -7.255 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.073 -7.171 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.539 -8.648 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.025 -8.989 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.106 -10.725 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.950 -9.511 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.363 -10.404 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.689 -8.924 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.136 -10.375 -6.977 1.00 0.00 H new ATOM 1219 N ARG A 67 11.827 -3.440 -9.333 1.00 0.00 N ATOM 1220 CA ARG A 67 11.081 -2.503 -10.182 1.00 0.00 C ATOM 1221 C ARG A 67 11.685 -1.101 -10.177 1.00 0.00 C ATOM 1222 O ARG A 67 11.750 -0.497 -11.243 1.00 0.00 O ATOM 1223 CB ARG A 67 9.588 -2.470 -9.808 1.00 0.00 C ATOM 1224 CG ARG A 67 8.808 -3.757 -10.151 1.00 0.00 C ATOM 1225 CD ARG A 67 8.269 -3.802 -11.592 1.00 0.00 C ATOM 1226 NE ARG A 67 9.345 -3.820 -12.597 1.00 0.00 N ATOM 1227 CZ ARG A 67 9.389 -3.145 -13.752 1.00 0.00 C ATOM 1228 NH1 ARG A 67 8.338 -2.483 -14.220 1.00 0.00 N ATOM 1229 NH2 ARG A 67 10.528 -3.146 -14.435 1.00 0.00 N ATOM 0 H ARG A 67 11.293 -3.792 -8.539 1.00 0.00 H new ATOM 0 HA ARG A 67 11.163 -2.876 -11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.500 -2.282 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.118 -1.630 -10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.459 -4.617 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.972 -3.857 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.646 -4.688 -11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.630 -2.936 -11.764 1.00 0.00 H new ATOM 0 HE ARG A 67 10.148 -4.414 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.463 -2.479 -13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.405 -1.979 -15.104 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.338 -3.652 -14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.593 -2.641 -15.319 1.00 0.00 H new ATOM 1243 N ILE A 68 12.137 -0.582 -9.032 1.00 0.00 N ATOM 1244 CA ILE A 68 12.742 0.756 -8.951 1.00 0.00 C ATOM 1245 C ILE A 68 14.241 0.711 -9.305 1.00 0.00 C ATOM 1246 O ILE A 68 14.877 1.757 -9.440 1.00 0.00 O ATOM 1247 CB ILE A 68 12.451 1.396 -7.573 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.221 0.683 -6.440 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.927 1.450 -7.333 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.807 1.097 -5.029 1.00 0.00 C ATOM 0 H ILE A 68 12.096 -1.072 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 68 12.282 1.403 -9.698 1.00 0.00 H new ATOM 0 HB ILE A 68 12.818 2.422 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.080 -0.393 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.286 0.879 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.727 1.902 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.457 2.047 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.519 0.439 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.400 0.546 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.975 2.166 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.750 0.875 -4.880 1.00 0.00 H new ATOM 1262 N HIS A 69 14.783 -0.507 -9.468 1.00 0.00 N ATOM 1263 CA HIS A 69 16.151 -0.876 -9.817 1.00 0.00 C ATOM 1264 C HIS A 69 17.222 0.022 -9.183 1.00 0.00 C ATOM 1265 O HIS A 69 18.140 0.501 -9.855 1.00 0.00 O ATOM 1266 CB HIS A 69 16.262 -1.026 -11.341 1.00 0.00 C ATOM 1267 CG HIS A 69 15.966 0.230 -12.118 1.00 0.00 C ATOM 1268 ND1 HIS A 69 16.873 1.226 -12.383 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.766 0.597 -12.668 1.00 0.00 C ATOM 1270 CE1 HIS A 69 16.242 2.177 -13.084 1.00 0.00 C ATOM 1271 NE2 HIS A 69 14.964 1.823 -13.311 1.00 0.00 N ATOM 0 H HIS A 69 14.207 -1.340 -9.344 1.00 0.00 H new ATOM 0 HA HIS A 69 16.370 -1.846 -9.371 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.270 -1.361 -11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.577 -1.809 -11.667 1.00 0.00 H new ATOM 0 HD1 HIS A 69 17.852 1.239 -12.097 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.840 0.043 -12.615 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.695 3.098 -13.420 1.00 0.00 H new ATOM 1279 N LEU A 70 17.083 0.257 -7.877 1.00 0.00 N ATOM 1280 CA LEU A 70 17.994 1.070 -7.074 1.00 0.00 C ATOM 1281 C LEU A 70 19.420 0.510 -7.107 1.00 0.00 C ATOM 1282 O LEU A 70 19.611 -0.677 -7.383 1.00 0.00 O ATOM 1283 CB LEU A 70 17.463 1.224 -5.641 1.00 0.00 C ATOM 1284 CG LEU A 70 17.009 -0.043 -4.884 1.00 0.00 C ATOM 1285 CD1 LEU A 70 18.025 -1.180 -4.808 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.688 0.367 -3.452 1.00 0.00 C ATOM 0 H LEU A 70 16.309 -0.126 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 70 18.041 2.067 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.242 1.703 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.618 1.912 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 70 16.162 -0.433 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.596 -2.015 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.282 -1.507 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.924 -0.831 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.363 -0.507 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.578 0.789 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.893 1.112 -3.457 1.00 0.00 H new ATOM 1298 N ARG A 71 20.435 1.345 -6.862 1.00 0.00 N ATOM 1299 CA ARG A 71 21.817 0.862 -6.888 1.00 0.00 C ATOM 1300 C ARG A 71 22.028 -0.148 -5.756 1.00 0.00 C ATOM 1301 O ARG A 71 21.353 -0.075 -4.728 1.00 0.00 O ATOM 1302 CB ARG A 71 22.827 2.010 -6.769 1.00 0.00 C ATOM 1303 CG ARG A 71 22.613 3.140 -7.786 1.00 0.00 C ATOM 1304 CD ARG A 71 23.762 4.145 -7.722 1.00 0.00 C ATOM 1305 NE ARG A 71 25.010 3.600 -8.288 1.00 0.00 N ATOM 1306 CZ ARG A 71 26.257 3.850 -7.871 1.00 0.00 C ATOM 1307 NH1 ARG A 71 26.504 4.603 -6.804 1.00 0.00 N ATOM 1308 NH2 ARG A 71 27.290 3.330 -8.519 1.00 0.00 N ATOM 0 H ARG A 71 20.329 2.337 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 71 21.987 0.379 -7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.772 2.426 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.833 1.609 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.542 2.724 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.669 3.645 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 71 23.483 5.048 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.931 4.435 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 71 24.913 2.966 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 71 25.731 5.010 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 71 27.466 4.774 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 71 27.135 2.739 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 71 28.240 3.521 -8.201 1.00 0.00 H new ATOM 1322 N PRO A 72 22.996 -1.064 -5.877 1.00 0.00 N ATOM 1323 CA PRO A 72 23.243 -2.063 -4.849 1.00 0.00 C ATOM 1324 C PRO A 72 23.791 -1.442 -3.565 1.00 0.00 C ATOM 1325 O PRO A 72 23.463 -1.910 -2.475 1.00 0.00 O ATOM 1326 CB PRO A 72 24.212 -3.064 -5.483 1.00 0.00 C ATOM 1327 CG PRO A 72 24.919 -2.259 -6.576 1.00 0.00 C ATOM 1328 CD PRO A 72 23.864 -1.257 -7.022 1.00 0.00 C ATOM 0 HA PRO A 72 22.322 -2.555 -4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.921 -3.451 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.683 -3.922 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.810 -1.760 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.240 -2.897 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.322 -0.317 -7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.304 -1.633 -7.878 1.00 0.00 H new ATOM 1336 N GLU A 73 24.538 -0.352 -3.683 1.00 0.00 N ATOM 1337 CA GLU A 73 25.144 0.353 -2.562 1.00 0.00 C ATOM 1338 C GLU A 73 24.141 1.258 -1.838 1.00 0.00 C ATOM 1339 O GLU A 73 24.488 1.872 -0.827 1.00 0.00 O ATOM 1340 CB GLU A 73 26.336 1.178 -3.081 1.00 0.00 C ATOM 1341 CG GLU A 73 27.224 0.425 -4.087 1.00 0.00 C ATOM 1342 CD GLU A 73 27.622 -0.965 -3.587 1.00 0.00 C ATOM 1343 OE1 GLU A 73 28.274 -1.065 -2.525 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.258 -1.967 -4.246 1.00 0.00 O ATOM 0 H GLU A 73 24.744 0.077 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 73 25.484 -0.384 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.959 2.086 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.947 1.489 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.694 0.329 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.123 1.009 -4.282 1.00 0.00 H new ATOM 1351 N ASP A 74 22.922 1.407 -2.361 1.00 0.00 N ATOM 1352 CA ASP A 74 21.887 2.247 -1.771 1.00 0.00 C ATOM 1353 C ASP A 74 21.024 1.387 -0.851 1.00 0.00 C ATOM 1354 O ASP A 74 20.803 0.193 -1.114 1.00 0.00 O ATOM 1355 CB ASP A 74 21.027 2.891 -2.867 1.00 0.00 C ATOM 1356 CG ASP A 74 21.730 4.009 -3.650 1.00 0.00 C ATOM 1357 OD1 ASP A 74 22.718 4.614 -3.154 1.00 0.00 O ATOM 1358 OD2 ASP A 74 21.286 4.270 -4.792 1.00 0.00 O ATOM 0 H ASP A 74 22.626 0.940 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 74 22.350 3.049 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.712 2.117 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.123 3.296 -2.412 1.00 0.00 H new ATOM 1363 N ALA A 75 20.573 1.962 0.263 1.00 0.00 N ATOM 1364 CA ALA A 75 19.729 1.285 1.236 1.00 0.00 C ATOM 1365 C ALA A 75 18.252 1.511 0.879 1.00 0.00 C ATOM 1366 O ALA A 75 17.944 2.121 -0.145 1.00 0.00 O ATOM 1367 CB ALA A 75 20.083 1.776 2.639 1.00 0.00 C ATOM 0 H ALA A 75 20.789 2.926 0.515 1.00 0.00 H new ATOM 0 HA ALA A 75 19.902 0.209 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.453 1.271 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.130 1.556 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.919 2.852 2.700 1.00 0.00 H new ATOM 1373 N LEU A 76 17.338 0.843 1.585 1.00 0.00 N ATOM 1374 CA LEU A 76 15.895 0.964 1.397 1.00 0.00 C ATOM 1375 C LEU A 76 15.254 0.353 2.645 1.00 0.00 C ATOM 1376 O LEU A 76 15.585 -0.799 2.955 1.00 0.00 O ATOM 1377 CB LEU A 76 15.423 0.280 0.095 1.00 0.00 C ATOM 1378 CG LEU A 76 14.176 0.933 -0.541 1.00 0.00 C ATOM 1379 CD1 LEU A 76 14.477 2.286 -1.195 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.544 -0.034 -1.551 1.00 0.00 C ATOM 0 H LEU A 76 17.590 0.186 2.323 1.00 0.00 H new ATOM 0 HA LEU A 76 15.598 2.006 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.238 0.297 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.205 -0.767 0.305 1.00 0.00 H new ATOM 0 HG LEU A 76 13.469 1.136 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.562 2.694 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.865 2.975 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.219 2.152 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.665 0.430 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.267 -0.268 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.251 -0.952 -1.041 1.00 0.00 H new ATOM 1392 N PHE A 77 14.388 1.089 3.346 1.00 0.00 N ATOM 1393 CA PHE A 77 13.677 0.676 4.558 1.00 0.00 C ATOM 1394 C PHE A 77 12.177 0.908 4.409 1.00 0.00 C ATOM 1395 O PHE A 77 11.738 1.751 3.621 1.00 0.00 O ATOM 1396 CB PHE A 77 14.255 1.354 5.800 1.00 0.00 C ATOM 1397 CG PHE A 77 15.669 0.887 6.045 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.904 -0.388 6.593 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.744 1.666 5.594 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.214 -0.886 6.664 1.00 0.00 C ATOM 1401 CE2 PHE A 77 18.055 1.186 5.706 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.291 -0.101 6.221 1.00 0.00 C ATOM 0 H PHE A 77 14.151 2.041 3.068 1.00 0.00 H new ATOM 0 HA PHE A 77 13.823 -0.395 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.240 2.436 5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.635 1.127 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.079 -0.981 6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.561 2.638 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.394 -1.874 7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.885 1.804 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.299 -0.485 6.276 1.00 0.00 H new ATOM 1412 N PHE A 78 11.374 0.100 5.103 1.00 0.00 N ATOM 1413 CA PHE A 78 9.920 0.154 5.064 1.00 0.00 C ATOM 1414 C PHE A 78 9.317 0.274 6.454 1.00 0.00 C ATOM 1415 O PHE A 78 9.791 -0.357 7.397 1.00 0.00 O ATOM 1416 CB PHE A 78 9.395 -1.103 4.362 1.00 0.00 C ATOM 1417 CG PHE A 78 9.868 -2.455 4.889 1.00 0.00 C ATOM 1418 CD1 PHE A 78 11.101 -2.990 4.466 1.00 0.00 C ATOM 1419 CD2 PHE A 78 9.054 -3.214 5.754 1.00 0.00 C ATOM 1420 CE1 PHE A 78 11.512 -4.268 4.881 1.00 0.00 C ATOM 1421 CE2 PHE A 78 9.470 -4.492 6.175 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.692 -5.023 5.734 1.00 0.00 C ATOM 0 H PHE A 78 11.731 -0.628 5.723 1.00 0.00 H new ATOM 0 HA PHE A 78 9.623 1.045 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.306 -1.085 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.668 -1.039 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.738 -2.410 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.110 -2.815 6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.457 -4.668 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.845 -5.067 6.842 1.00 0.00 H new ATOM 0 HZ PHE A 78 11.000 -6.009 6.050 1.00 0.00 H new ATOM 1432 N PHE A 79 8.269 1.089 6.567 1.00 0.00 N ATOM 1433 CA PHE A 79 7.536 1.331 7.797 1.00 0.00 C ATOM 1434 C PHE A 79 6.040 1.391 7.475 1.00 0.00 C ATOM 1435 O PHE A 79 5.632 1.698 6.347 1.00 0.00 O ATOM 1436 CB PHE A 79 8.073 2.580 8.520 1.00 0.00 C ATOM 1437 CG PHE A 79 8.161 3.873 7.720 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.197 4.061 6.782 1.00 0.00 C ATOM 1439 CD2 PHE A 79 7.272 4.934 7.985 1.00 0.00 C ATOM 1440 CE1 PHE A 79 9.333 5.284 6.102 1.00 0.00 C ATOM 1441 CE2 PHE A 79 7.412 6.161 7.310 1.00 0.00 C ATOM 1442 CZ PHE A 79 8.440 6.336 6.368 1.00 0.00 C ATOM 0 H PHE A 79 7.899 1.614 5.775 1.00 0.00 H new ATOM 0 HA PHE A 79 7.684 0.512 8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.440 2.764 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.070 2.349 8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.892 3.258 6.584 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.481 4.805 8.709 1.00 0.00 H new ATOM 0 HE1 PHE A 79 10.122 5.415 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.727 6.970 7.517 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.544 7.278 5.849 1.00 0.00 H new ATOM 1452 N VAL A 80 5.212 1.070 8.462 1.00 0.00 N ATOM 1453 CA VAL A 80 3.758 1.052 8.393 1.00 0.00 C ATOM 1454 C VAL A 80 3.285 1.676 9.694 1.00 0.00 C ATOM 1455 O VAL A 80 3.642 1.186 10.761 1.00 0.00 O ATOM 1456 CB VAL A 80 3.222 -0.381 8.163 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.906 -1.473 9.001 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.706 -0.471 8.387 1.00 0.00 C ATOM 0 H VAL A 80 5.558 0.800 9.383 1.00 0.00 H new ATOM 0 HA VAL A 80 3.375 1.617 7.544 1.00 0.00 H new ATOM 0 HB VAL A 80 3.466 -0.576 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.462 -2.441 8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.971 -1.497 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.771 -1.256 10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.373 -1.494 8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.472 -0.181 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.196 0.198 7.694 1.00 0.00 H new ATOM 1468 N ASN A 81 2.491 2.743 9.596 1.00 0.00 N ATOM 1469 CA ASN A 81 1.926 3.516 10.695 1.00 0.00 C ATOM 1470 C ASN A 81 2.844 3.535 11.923 1.00 0.00 C ATOM 1471 O ASN A 81 2.528 2.972 12.974 1.00 0.00 O ATOM 1472 CB ASN A 81 0.490 3.079 11.014 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.154 3.935 12.106 1.00 0.00 C ATOM 1474 OD1 ASN A 81 0.370 4.975 12.515 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.308 3.505 12.586 1.00 0.00 N ATOM 0 H ASN A 81 2.209 3.111 8.687 1.00 0.00 H new ATOM 0 HA ASN A 81 1.861 4.553 10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.114 3.137 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.493 2.036 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.788 4.036 13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.719 2.642 12.230 1.00 0.00 H new ATOM 1482 N ASN A 82 4.003 4.181 11.762 1.00 0.00 N ATOM 1483 CA ASN A 82 5.032 4.366 12.788 1.00 0.00 C ATOM 1484 C ASN A 82 5.658 3.077 13.355 1.00 0.00 C ATOM 1485 O ASN A 82 6.280 3.115 14.421 1.00 0.00 O ATOM 1486 CB ASN A 82 4.491 5.292 13.894 1.00 0.00 C ATOM 1487 CG ASN A 82 4.013 6.637 13.367 1.00 0.00 C ATOM 1488 OD1 ASN A 82 4.805 7.567 13.229 1.00 0.00 O ATOM 1489 ND2 ASN A 82 2.737 6.775 13.024 1.00 0.00 N ATOM 0 H ASN A 82 4.260 4.608 10.872 1.00 0.00 H new ATOM 0 HA ASN A 82 5.876 4.838 12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.666 4.795 14.404 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.272 5.456 14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.405 7.660 12.641 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.090 5.996 13.143 1.00 0.00 H new ATOM 1496 N THR A 83 5.587 1.943 12.659 1.00 0.00 N ATOM 1497 CA THR A 83 6.156 0.672 13.104 1.00 0.00 C ATOM 1498 C THR A 83 7.014 0.080 11.982 1.00 0.00 C ATOM 1499 O THR A 83 6.682 0.222 10.801 1.00 0.00 O ATOM 1500 CB THR A 83 5.010 -0.264 13.528 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.162 0.404 14.441 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.499 -1.533 14.229 1.00 0.00 C ATOM 0 H THR A 83 5.123 1.881 11.753 1.00 0.00 H new ATOM 0 HA THR A 83 6.806 0.814 13.967 1.00 0.00 H new ATOM 0 HB THR A 83 4.495 -0.543 12.609 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.433 -0.194 14.708 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.643 -2.150 14.503 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.150 -2.092 13.557 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.053 -1.262 15.128 1.00 0.00 H new ATOM 1510 N ILE A 84 8.093 -0.619 12.345 1.00 0.00 N ATOM 1511 CA ILE A 84 9.027 -1.261 11.425 1.00 0.00 C ATOM 1512 C ILE A 84 8.849 -2.785 11.577 1.00 0.00 C ATOM 1513 O ILE A 84 9.400 -3.380 12.510 1.00 0.00 O ATOM 1514 CB ILE A 84 10.473 -0.774 11.693 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.556 0.771 11.689 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.396 -1.375 10.621 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.969 1.333 11.890 1.00 0.00 C ATOM 0 H ILE A 84 8.346 -0.756 13.323 1.00 0.00 H new ATOM 0 HA ILE A 84 8.822 -0.992 10.389 1.00 0.00 H new ATOM 0 HB ILE A 84 10.789 -1.106 12.682 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.163 1.141 10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.909 1.159 12.476 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.419 -1.042 10.794 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.354 -2.463 10.673 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.070 -1.046 9.634 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.933 2.422 11.873 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.361 0.997 12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.619 0.979 11.089 1.00 0.00 H new ATOM 1529 N PRO A 85 8.042 -3.451 10.731 1.00 0.00 N ATOM 1530 CA PRO A 85 7.829 -4.889 10.825 1.00 0.00 C ATOM 1531 C PRO A 85 9.038 -5.682 10.304 1.00 0.00 C ATOM 1532 O PRO A 85 9.754 -5.199 9.420 1.00 0.00 O ATOM 1533 CB PRO A 85 6.592 -5.169 9.970 1.00 0.00 C ATOM 1534 CG PRO A 85 6.617 -4.069 8.916 1.00 0.00 C ATOM 1535 CD PRO A 85 7.315 -2.895 9.604 1.00 0.00 C ATOM 0 HA PRO A 85 7.695 -5.199 11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.636 -6.159 9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.679 -5.132 10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.159 -4.386 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.609 -3.801 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.993 -2.390 8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.589 -2.154 9.938 1.00 0.00 H new ATOM 1543 N PRO A 86 9.251 -6.914 10.798 1.00 0.00 N ATOM 1544 CA PRO A 86 10.352 -7.759 10.359 1.00 0.00 C ATOM 1545 C PRO A 86 10.075 -8.291 8.959 1.00 0.00 C ATOM 1546 O PRO A 86 8.916 -8.386 8.549 1.00 0.00 O ATOM 1547 CB PRO A 86 10.382 -8.926 11.348 1.00 0.00 C ATOM 1548 CG PRO A 86 8.941 -9.033 11.831 1.00 0.00 C ATOM 1549 CD PRO A 86 8.480 -7.578 11.838 1.00 0.00 C ATOM 0 HA PRO A 86 11.295 -7.213 10.329 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.712 -9.848 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.067 -8.733 12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.335 -9.646 11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.879 -9.482 12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.411 -7.505 11.639 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.655 -7.117 12.810 1.00 0.00 H new ATOM 1557 N THR A 87 11.117 -8.731 8.254 1.00 0.00 N ATOM 1558 CA THR A 87 10.994 -9.286 6.909 1.00 0.00 C ATOM 1559 C THR A 87 10.038 -10.490 6.872 1.00 0.00 C ATOM 1560 O THR A 87 9.385 -10.704 5.851 1.00 0.00 O ATOM 1561 CB THR A 87 12.391 -9.632 6.349 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.347 -9.869 7.371 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.935 -8.468 5.516 1.00 0.00 C ATOM 0 H THR A 87 12.075 -8.712 8.603 1.00 0.00 H new ATOM 0 HA THR A 87 10.550 -8.528 6.263 1.00 0.00 H new ATOM 0 HB THR A 87 12.254 -10.535 5.754 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.213 -10.085 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.920 -8.727 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.259 -8.268 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.014 -7.579 6.141 1.00 0.00 H new ATOM 1571 N SER A 88 9.911 -11.234 7.979 1.00 0.00 N ATOM 1572 CA SER A 88 9.038 -12.393 8.096 1.00 0.00 C ATOM 1573 C SER A 88 7.558 -12.028 8.269 1.00 0.00 C ATOM 1574 O SER A 88 6.716 -12.928 8.264 1.00 0.00 O ATOM 1575 CB SER A 88 9.513 -13.249 9.275 1.00 0.00 C ATOM 1576 OG SER A 88 9.508 -12.527 10.504 1.00 0.00 O ATOM 0 H SER A 88 10.429 -11.035 8.835 1.00 0.00 H new ATOM 0 HA SER A 88 9.102 -12.948 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.870 -14.124 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.521 -13.613 9.074 1.00 0.00 H new ATOM 0 HG SER A 88 9.816 -13.111 11.228 1.00 0.00 H new ATOM 1582 N ALA A 89 7.211 -10.760 8.538 1.00 0.00 N ATOM 1583 CA ALA A 89 5.806 -10.375 8.690 1.00 0.00 C ATOM 1584 C ALA A 89 5.039 -10.670 7.396 1.00 0.00 C ATOM 1585 O ALA A 89 5.633 -10.772 6.322 1.00 0.00 O ATOM 1586 CB ALA A 89 5.702 -8.893 9.060 1.00 0.00 C ATOM 0 H ALA A 89 7.876 -9.995 8.653 1.00 0.00 H new ATOM 0 HA ALA A 89 5.360 -10.959 9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.653 -8.618 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.224 -8.715 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.154 -8.289 8.273 1.00 0.00 H new ATOM 1592 N THR A 90 3.719 -10.776 7.486 1.00 0.00 N ATOM 1593 CA THR A 90 2.844 -11.043 6.353 1.00 0.00 C ATOM 1594 C THR A 90 1.899 -9.854 6.199 1.00 0.00 C ATOM 1595 O THR A 90 1.602 -9.156 7.175 1.00 0.00 O ATOM 1596 CB THR A 90 2.125 -12.399 6.535 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.780 -12.598 7.899 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.047 -13.558 6.144 1.00 0.00 C ATOM 0 H THR A 90 3.217 -10.676 8.368 1.00 0.00 H new ATOM 0 HA THR A 90 3.408 -11.142 5.426 1.00 0.00 H new ATOM 0 HB THR A 90 1.237 -12.378 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.324 -13.460 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.521 -14.503 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.341 -13.453 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.936 -13.544 6.774 1.00 0.00 H new ATOM 1606 N MET A 91 1.410 -9.628 4.977 1.00 0.00 N ATOM 1607 CA MET A 91 0.503 -8.527 4.675 1.00 0.00 C ATOM 1608 C MET A 91 -0.751 -8.604 5.548 1.00 0.00 C ATOM 1609 O MET A 91 -1.286 -7.565 5.927 1.00 0.00 O ATOM 1610 CB MET A 91 0.135 -8.514 3.182 1.00 0.00 C ATOM 1611 CG MET A 91 1.346 -8.381 2.247 1.00 0.00 C ATOM 1612 SD MET A 91 2.539 -7.052 2.558 1.00 0.00 S ATOM 1613 CE MET A 91 1.480 -5.595 2.761 1.00 0.00 C ATOM 0 H MET A 91 1.635 -10.208 4.169 1.00 0.00 H new ATOM 0 HA MET A 91 1.016 -7.592 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.399 -9.433 2.941 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.551 -7.688 2.993 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.889 -9.326 2.272 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.969 -8.257 1.232 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.083 -4.751 3.095 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.010 -5.351 1.808 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.709 -5.806 3.502 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.198 -9.813 5.886 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.355 -10.078 6.714 1.00 0.00 C ATOM 1625 C GLY A 92 -2.068 -9.719 8.163 1.00 0.00 C ATOM 1626 O GLY A 92 -2.903 -9.064 8.772 1.00 0.00 O ATOM 0 H GLY A 92 -0.737 -10.667 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.207 -9.502 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.628 -11.131 6.641 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.902 -10.085 8.708 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.544 -9.788 10.091 1.00 0.00 C ATOM 1632 C GLN A 93 -0.544 -8.284 10.351 1.00 0.00 C ATOM 1633 O GLN A 93 -1.164 -7.812 11.302 1.00 0.00 O ATOM 1634 CB GLN A 93 0.852 -10.381 10.383 1.00 0.00 C ATOM 1635 CG GLN A 93 1.288 -10.232 11.849 1.00 0.00 C ATOM 1636 CD GLN A 93 0.442 -11.104 12.767 1.00 0.00 C ATOM 1637 OE1 GLN A 93 -0.387 -10.624 13.532 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.624 -12.409 12.695 1.00 0.00 N ATOM 0 H GLN A 93 -0.182 -10.596 8.198 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.285 -10.236 10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.851 -11.438 10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.586 -9.893 9.743 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.338 -10.507 11.948 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.201 -9.189 12.153 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.318 -12.793 12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.071 -13.034 13.281 1.00 0.00 H new ATOM 1647 N LEU A 94 0.154 -7.520 9.499 1.00 0.00 N ATOM 1648 CA LEU A 94 0.202 -6.077 9.671 1.00 0.00 C ATOM 1649 C LEU A 94 -1.175 -5.485 9.398 1.00 0.00 C ATOM 1650 O LEU A 94 -1.586 -4.599 10.132 1.00 0.00 O ATOM 1651 CB LEU A 94 1.355 -5.439 8.878 1.00 0.00 C ATOM 1652 CG LEU A 94 1.232 -5.505 7.343 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.700 -4.194 6.754 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.592 -5.817 6.717 1.00 0.00 C ATOM 0 H LEU A 94 0.681 -7.876 8.701 1.00 0.00 H new ATOM 0 HA LEU A 94 0.440 -5.836 10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.438 -4.393 9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.285 -5.927 9.170 1.00 0.00 H new ATOM 0 HG LEU A 94 0.521 -6.298 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.629 -4.284 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.287 -3.984 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.379 -3.380 7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.492 -5.861 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.303 -5.036 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.951 -6.777 7.087 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.912 -5.976 8.394 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.242 -5.467 8.092 1.00 0.00 C ATOM 1668 C TYR A 95 -4.176 -5.655 9.280 1.00 0.00 C ATOM 1669 O TYR A 95 -4.876 -4.723 9.653 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.828 -6.162 6.854 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.306 -5.917 6.644 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.752 -4.766 5.968 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.237 -6.832 7.170 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.129 -4.510 5.849 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.611 -6.578 7.061 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.060 -5.410 6.414 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.392 -5.159 6.356 1.00 0.00 O ATOM 0 H TYR A 95 -1.602 -6.728 7.779 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.148 -4.401 7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.286 -5.823 5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.658 -7.235 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.036 -4.079 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.892 -7.731 7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.474 -3.629 5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.324 -7.277 7.472 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.881 -5.886 6.795 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.191 -6.849 9.864 1.00 0.00 N ATOM 1688 CA GLU A 96 -5.030 -7.222 10.982 1.00 0.00 C ATOM 1689 C GLU A 96 -4.671 -6.451 12.253 1.00 0.00 C ATOM 1690 O GLU A 96 -5.577 -6.146 13.029 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.920 -8.744 11.137 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.826 -9.363 12.199 1.00 0.00 C ATOM 1693 CD GLU A 96 -7.329 -9.151 11.999 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -7.818 -8.933 10.868 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -8.066 -9.377 12.987 1.00 0.00 O ATOM 0 H GLU A 96 -3.590 -7.612 9.552 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.069 -6.952 10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.146 -9.207 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.886 -8.994 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.631 -10.435 12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.547 -8.955 13.170 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.397 -6.119 12.497 1.00 0.00 N ATOM 1703 CA ASP A 97 -3.039 -5.360 13.701 1.00 0.00 C ATOM 1704 C ASP A 97 -3.299 -3.864 13.498 1.00 0.00 C ATOM 1705 O ASP A 97 -3.685 -3.176 14.440 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.583 -5.583 14.129 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.369 -5.033 15.546 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.906 -5.640 16.506 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.638 -4.033 15.740 1.00 0.00 O ATOM 0 H ASP A 97 -2.612 -6.358 11.891 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.676 -5.734 14.503 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.345 -6.646 14.102 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.909 -5.087 13.431 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.128 -3.360 12.271 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.336 -1.956 11.898 1.00 0.00 C ATOM 1716 C ASN A 98 -4.760 -1.663 11.404 1.00 0.00 C ATOM 1717 O ASN A 98 -5.028 -0.502 11.089 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.346 -1.564 10.777 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.940 -1.313 11.286 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.005 -2.064 11.028 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.753 -0.225 12.005 1.00 0.00 N ATOM 0 H ASN A 98 -2.831 -3.937 11.484 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.170 -1.371 12.803 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.319 -2.358 10.030 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.710 -0.667 10.276 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.178 0.002 12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.539 0.391 12.212 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.660 -2.654 11.356 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.027 -2.526 10.856 1.00 0.00 C ATOM 1730 C HIS A 99 -7.814 -1.339 11.411 1.00 0.00 C ATOM 1731 O HIS A 99 -7.729 -0.987 12.588 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.818 -3.843 10.966 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.199 -4.321 12.348 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.813 -3.805 13.564 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.006 -5.392 12.601 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.364 -4.562 14.522 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.118 -5.537 13.986 1.00 0.00 N ATOM 0 H HIS A 99 -5.445 -3.598 11.676 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.900 -2.300 9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.734 -3.734 10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.230 -4.628 10.490 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.215 -2.992 13.710 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.477 -6.019 11.859 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.222 -4.410 15.582 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.538 -0.683 10.510 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.382 0.474 10.759 1.00 0.00 C ATOM 1747 C GLU A 100 -10.797 0.188 10.234 1.00 0.00 C ATOM 1748 O GLU A 100 -11.034 -0.857 9.618 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.741 1.751 10.193 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.273 1.931 10.602 1.00 0.00 C ATOM 1751 CD GLU A 100 -6.858 3.399 10.581 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -7.139 4.099 11.587 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -6.256 3.854 9.581 1.00 0.00 O ATOM 0 H GLU A 100 -8.550 -0.964 9.529 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.475 0.658 11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.807 1.730 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.313 2.616 10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.121 1.524 11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.634 1.362 9.926 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.745 1.111 10.418 1.00 0.00 N ATOM 1761 CA GLU A 101 -13.135 0.956 9.977 1.00 0.00 C ATOM 1762 C GLU A 101 -13.247 1.106 8.452 1.00 0.00 C ATOM 1763 O GLU A 101 -14.272 0.742 7.870 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.999 2.072 10.617 1.00 0.00 C ATOM 1765 CG GLU A 101 -15.057 1.580 11.610 1.00 0.00 C ATOM 1766 CD GLU A 101 -16.052 0.612 10.972 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -16.865 1.065 10.124 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -16.033 -0.590 11.313 1.00 0.00 O ATOM 0 H GLU A 101 -11.566 2.000 10.884 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.476 -0.035 10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.340 2.773 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.498 2.626 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.563 1.089 12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.597 2.436 12.015 1.00 0.00 H new ATOM 1775 N ASP A 102 -12.207 1.632 7.803 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.137 1.845 6.361 1.00 0.00 C ATOM 1777 C ASP A 102 -11.496 0.686 5.601 1.00 0.00 C ATOM 1778 O ASP A 102 -11.557 0.678 4.375 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.473 3.181 6.023 1.00 0.00 C ATOM 1780 CG ASP A 102 -10.025 3.258 6.478 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -9.194 2.404 6.113 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -9.703 4.249 7.167 1.00 0.00 O ATOM 0 H ASP A 102 -11.361 1.931 8.287 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.170 1.885 6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.518 3.340 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.038 3.989 6.489 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.949 -0.319 6.293 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.332 -1.506 5.696 1.00 0.00 C ATOM 1789 C TYR A 103 -9.158 -1.251 4.736 1.00 0.00 C ATOM 1790 O TYR A 103 -8.865 -2.119 3.907 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.422 -2.336 4.996 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.638 -2.647 5.842 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.618 -3.718 6.749 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.794 -1.858 5.724 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.766 -4.036 7.489 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.942 -2.173 6.466 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.939 -3.267 7.349 1.00 0.00 C ATOM 1798 OH TYR A 103 -16.089 -3.661 7.965 1.00 0.00 O ATOM 0 H TYR A 103 -10.923 -0.328 7.313 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.879 -2.046 6.527 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.747 -1.801 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.982 -3.275 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.716 -4.299 6.877 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.799 -1.006 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.751 -4.874 8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.833 -1.572 6.358 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.803 -3.019 7.767 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.476 -0.107 4.801 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.348 0.196 3.924 1.00 0.00 C ATOM 1810 C PHE A 104 -6.065 0.308 4.735 1.00 0.00 C ATOM 1811 O PHE A 104 -6.100 0.775 5.874 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.648 1.474 3.132 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.769 1.241 1.642 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -8.800 0.436 1.122 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -6.872 1.875 0.770 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -8.958 0.315 -0.273 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -7.020 1.744 -0.618 1.00 0.00 C ATOM 1818 CZ PHE A 104 -8.072 0.980 -1.137 1.00 0.00 C ATOM 0 H PHE A 104 -8.692 0.636 5.465 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.203 -0.614 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.576 1.912 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.857 2.201 3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.468 -0.087 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.063 2.468 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.758 -0.287 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.324 2.231 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.203 0.901 -2.206 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.922 -0.069 4.139 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.632 -0.007 4.832 1.00 0.00 C ATOM 1830 C LEU A 105 -2.676 0.973 4.150 1.00 0.00 C ATOM 1831 O LEU A 105 -2.596 1.027 2.922 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.056 -1.433 4.967 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.698 -1.859 6.402 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.475 -1.109 6.938 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.886 -1.731 7.367 1.00 0.00 C ATOM 0 H LEU A 105 -4.868 -0.418 3.182 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.775 0.387 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.781 -2.141 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.161 -1.507 4.349 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.440 -2.916 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.260 -1.442 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.615 -1.312 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.678 -0.038 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.579 -2.044 8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.219 -0.694 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.704 -2.364 7.023 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.977 1.776 4.953 1.00 0.00 N ATOM 1848 CA TYR A 106 -1.006 2.781 4.539 1.00 0.00 C ATOM 1849 C TYR A 106 0.406 2.300 4.857 1.00 0.00 C ATOM 1850 O TYR A 106 0.704 2.031 6.019 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.306 4.091 5.282 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.263 5.179 5.108 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -0.191 5.897 3.902 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.652 5.458 6.142 1.00 0.00 C ATOM 1855 CE1 TYR A 106 0.837 6.834 3.698 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.663 6.418 5.958 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.779 7.083 4.718 1.00 0.00 C ATOM 1858 OH TYR A 106 2.776 7.979 4.494 1.00 0.00 O ATOM 0 H TYR A 106 -2.082 1.738 5.967 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.077 2.948 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.268 4.473 4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.408 3.873 6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.927 5.729 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.577 4.931 7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.906 7.364 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.348 6.646 6.762 1.00 0.00 H new ATOM 0 HH TYR A 106 3.344 8.043 5.290 1.00 0.00 H new ATOM 1868 N VAL A 107 1.278 2.189 3.852 1.00 0.00 N ATOM 1869 CA VAL A 107 2.664 1.763 4.046 1.00 0.00 C ATOM 1870 C VAL A 107 3.568 2.743 3.292 1.00 0.00 C ATOM 1871 O VAL A 107 3.176 3.278 2.242 1.00 0.00 O ATOM 1872 CB VAL A 107 2.870 0.276 3.674 1.00 0.00 C ATOM 1873 CG1 VAL A 107 1.851 -0.631 4.388 1.00 0.00 C ATOM 1874 CG2 VAL A 107 2.830 0.012 2.163 1.00 0.00 C ATOM 0 H VAL A 107 1.042 2.392 2.881 1.00 0.00 H new ATOM 0 HA VAL A 107 2.937 1.800 5.101 1.00 0.00 H new ATOM 0 HB VAL A 107 3.875 0.031 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.025 -1.669 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.965 -0.527 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.841 -0.341 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.981 -1.051 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.862 0.316 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.619 0.583 1.673 1.00 0.00 H new ATOM 1884 N ALA A 108 4.757 3.021 3.830 1.00 0.00 N ATOM 1885 CA ALA A 108 5.710 3.937 3.223 1.00 0.00 C ATOM 1886 C ALA A 108 7.120 3.353 3.227 1.00 0.00 C ATOM 1887 O ALA A 108 7.448 2.530 4.085 1.00 0.00 O ATOM 1888 CB ALA A 108 5.672 5.285 3.955 1.00 0.00 C ATOM 0 H ALA A 108 5.083 2.611 4.705 1.00 0.00 H new ATOM 0 HA ALA A 108 5.427 4.092 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.387 5.968 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.670 5.709 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.931 5.137 5.003 1.00 0.00 H new ATOM 1894 N TYR A 109 7.940 3.775 2.260 1.00 0.00 N ATOM 1895 CA TYR A 109 9.329 3.336 2.148 1.00 0.00 C ATOM 1896 C TYR A 109 10.247 4.539 1.912 1.00 0.00 C ATOM 1897 O TYR A 109 9.841 5.530 1.287 1.00 0.00 O ATOM 1898 CB TYR A 109 9.482 2.215 1.104 1.00 0.00 C ATOM 1899 CG TYR A 109 9.346 2.597 -0.363 1.00 0.00 C ATOM 1900 CD1 TYR A 109 8.109 3.008 -0.892 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.451 2.470 -1.224 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.981 3.341 -2.253 1.00 0.00 C ATOM 1903 CE2 TYR A 109 10.321 2.764 -2.593 1.00 0.00 C ATOM 1904 CZ TYR A 109 9.094 3.227 -3.116 1.00 0.00 C ATOM 1905 OH TYR A 109 9.011 3.548 -4.436 1.00 0.00 O ATOM 0 H TYR A 109 7.656 4.432 1.533 1.00 0.00 H new ATOM 0 HA TYR A 109 9.643 2.889 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.462 1.758 1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.738 1.448 1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.246 3.069 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.403 2.145 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.032 3.684 -2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.168 2.634 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 109 9.881 3.404 -4.863 1.00 0.00 H new ATOM 1915 N SER A 110 11.487 4.439 2.386 1.00 0.00 N ATOM 1916 CA SER A 110 12.536 5.450 2.306 1.00 0.00 C ATOM 1917 C SER A 110 13.874 4.780 1.995 1.00 0.00 C ATOM 1918 O SER A 110 13.963 3.554 2.054 1.00 0.00 O ATOM 1919 CB SER A 110 12.588 6.209 3.643 1.00 0.00 C ATOM 1920 OG SER A 110 12.931 5.400 4.743 1.00 0.00 O ATOM 0 H SER A 110 11.805 3.597 2.866 1.00 0.00 H new ATOM 0 HA SER A 110 12.325 6.159 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.311 7.021 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 110 11.616 6.666 3.829 1.00 0.00 H new ATOM 0 HG SER A 110 13.660 5.822 5.244 1.00 0.00 H new ATOM 1926 N ASP A 111 14.873 5.541 1.532 1.00 0.00 N ATOM 1927 CA ASP A 111 16.216 4.991 1.261 1.00 0.00 C ATOM 1928 C ASP A 111 16.842 4.682 2.614 1.00 0.00 C ATOM 1929 O ASP A 111 17.441 3.633 2.821 1.00 0.00 O ATOM 1930 CB ASP A 111 17.107 6.009 0.528 1.00 0.00 C ATOM 1931 CG ASP A 111 18.615 5.694 0.603 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.279 6.114 1.578 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.181 5.136 -0.363 1.00 0.00 O ATOM 0 H ASP A 111 14.782 6.538 1.336 1.00 0.00 H new ATOM 0 HA ASP A 111 16.130 4.108 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.807 6.051 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.932 6.999 0.949 1.00 0.00 H new ATOM 1938 N GLU A 112 16.630 5.597 3.550 1.00 0.00 N ATOM 1939 CA GLU A 112 17.138 5.528 4.901 1.00 0.00 C ATOM 1940 C GLU A 112 16.044 6.014 5.839 1.00 0.00 C ATOM 1941 O GLU A 112 15.198 6.829 5.447 1.00 0.00 O ATOM 1942 CB GLU A 112 18.387 6.402 4.922 1.00 0.00 C ATOM 1943 CG GLU A 112 19.180 6.355 6.215 1.00 0.00 C ATOM 1944 CD GLU A 112 20.436 7.200 6.027 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.363 8.436 6.233 1.00 0.00 O ATOM 1946 OE2 GLU A 112 21.495 6.631 5.677 1.00 0.00 O ATOM 0 H GLU A 112 16.078 6.437 3.376 1.00 0.00 H new ATOM 0 HA GLU A 112 17.407 4.523 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.038 6.099 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.093 7.434 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.583 6.738 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.445 5.327 6.462 1.00 0.00 H new ATOM 1953 N SER A 113 15.961 5.451 7.041 1.00 0.00 N ATOM 1954 CA SER A 113 14.951 5.888 7.993 1.00 0.00 C ATOM 1955 C SER A 113 15.410 7.231 8.569 1.00 0.00 C ATOM 1956 O SER A 113 16.183 7.282 9.530 1.00 0.00 O ATOM 1957 CB SER A 113 14.707 4.824 9.065 1.00 0.00 C ATOM 1958 OG SER A 113 13.431 5.001 9.662 1.00 0.00 O ATOM 0 H SER A 113 16.571 4.704 7.373 1.00 0.00 H new ATOM 0 HA SER A 113 13.986 6.026 7.505 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.772 3.831 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.483 4.884 9.828 1.00 0.00 H new ATOM 0 HG SER A 113 13.290 4.311 10.344 1.00 0.00 H new ATOM 1964 N VAL A 114 14.877 8.326 8.036 1.00 0.00 N ATOM 1965 CA VAL A 114 15.185 9.682 8.456 1.00 0.00 C ATOM 1966 C VAL A 114 13.854 10.414 8.558 1.00 0.00 C ATOM 1967 O VAL A 114 13.131 10.548 7.562 1.00 0.00 O ATOM 1968 CB VAL A 114 16.180 10.336 7.481 1.00 0.00 C ATOM 1969 CG1 VAL A 114 16.490 11.778 7.892 1.00 0.00 C ATOM 1970 CG2 VAL A 114 17.504 9.570 7.405 1.00 0.00 C ATOM 0 H VAL A 114 14.198 8.289 7.276 1.00 0.00 H new ATOM 0 HA VAL A 114 15.683 9.713 9.425 1.00 0.00 H new ATOM 0 HB VAL A 114 15.698 10.317 6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.196 12.214 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.570 12.362 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.926 11.786 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.174 10.069 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.966 9.543 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 114 17.316 8.552 7.064 1.00 0.00 H new ATOM 1980 N TYR A 115 13.490 10.789 9.785 1.00 0.00 N ATOM 1981 CA TYR A 115 12.261 11.510 10.062 1.00 0.00 C ATOM 1982 C TYR A 115 12.539 12.992 9.882 1.00 0.00 C ATOM 1983 O TYR A 115 11.630 13.704 9.404 1.00 0.00 O ATOM 1984 CB TYR A 115 11.741 11.182 11.473 1.00 0.00 C ATOM 1985 CG TYR A 115 10.243 11.336 11.712 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.296 11.294 10.663 1.00 0.00 C ATOM 1987 CD2 TYR A 115 9.783 11.454 13.037 1.00 0.00 C ATOM 1988 CE1 TYR A 115 7.920 11.376 10.928 1.00 0.00 C ATOM 1989 CE2 TYR A 115 8.406 11.525 13.315 1.00 0.00 C ATOM 1990 CZ TYR A 115 7.464 11.498 12.262 1.00 0.00 C ATOM 1991 OH TYR A 115 6.141 11.618 12.550 1.00 0.00 O ATOM 0 H TYR A 115 14.049 10.596 10.616 1.00 0.00 H new ATOM 0 HA TYR A 115 11.474 11.207 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 115 12.017 10.153 11.705 1.00 0.00 H new ATOM 0 HB3 TYR A 115 12.265 11.821 12.184 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.636 11.197 9.643 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.495 11.490 13.849 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.210 11.346 10.115 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.067 11.600 14.338 1.00 0.00 H new ATOM 0 HH TYR A 115 6.023 11.689 13.520 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -22.960 11.431 1.414 1.00 0.00 N ATOM 2003 CA GLY B 722 -23.539 11.286 0.076 1.00 0.00 C ATOM 2004 C GLY B 722 -23.638 9.823 -0.287 1.00 0.00 C ATOM 2005 O GLY B 722 -22.689 9.067 -0.058 1.00 0.00 O ATOM 0 HA2 GLY B 722 -24.528 11.744 0.047 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -22.923 11.810 -0.655 1.00 0.00 H new ATOM 2009 N ALA B 723 -24.786 9.416 -0.823 1.00 0.00 N ATOM 2010 CA ALA B 723 -25.093 8.062 -1.245 1.00 0.00 C ATOM 2011 C ALA B 723 -24.368 7.706 -2.547 1.00 0.00 C ATOM 2012 O ALA B 723 -23.865 8.586 -3.255 1.00 0.00 O ATOM 2013 CB ALA B 723 -26.606 7.965 -1.447 1.00 0.00 C ATOM 0 H ALA B 723 -25.563 10.058 -0.980 1.00 0.00 H new ATOM 0 HA ALA B 723 -24.757 7.359 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -26.867 6.956 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -27.114 8.192 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -26.918 8.678 -2.210 1.00 0.00 H new ATOM 2019 N MET B 724 -24.354 6.419 -2.891 1.00 0.00 N ATOM 2020 CA MET B 724 -23.723 5.881 -4.092 1.00 0.00 C ATOM 2021 C MET B 724 -24.771 5.537 -5.142 1.00 0.00 C ATOM 2022 O MET B 724 -25.970 5.501 -4.845 1.00 0.00 O ATOM 2023 CB MET B 724 -22.886 4.633 -3.755 1.00 0.00 C ATOM 2024 CG MET B 724 -23.681 3.448 -3.185 1.00 0.00 C ATOM 2025 SD MET B 724 -24.141 3.598 -1.436 1.00 0.00 S ATOM 2026 CE MET B 724 -25.349 2.254 -1.334 1.00 0.00 C ATOM 0 H MET B 724 -24.797 5.699 -2.321 1.00 0.00 H new ATOM 0 HA MET B 724 -23.061 6.647 -4.496 1.00 0.00 H new ATOM 0 HB2 MET B 724 -22.372 4.305 -4.659 1.00 0.00 H new ATOM 0 HB3 MET B 724 -22.117 4.914 -3.035 1.00 0.00 H new ATOM 0 HG2 MET B 724 -24.590 3.324 -3.774 1.00 0.00 H new ATOM 0 HG3 MET B 724 -23.091 2.540 -3.313 1.00 0.00 H new ATOM 0 HE1 MET B 724 -25.743 2.195 -0.319 1.00 0.00 H new ATOM 0 HE2 MET B 724 -26.166 2.445 -2.030 1.00 0.00 H new ATOM 0 HE3 MET B 724 -24.867 1.311 -1.591 1.00 0.00 H new ATOM 2036 N GLY B 725 -24.320 5.277 -6.364 1.00 0.00 N ATOM 2037 CA GLY B 725 -25.161 4.905 -7.490 1.00 0.00 C ATOM 2038 C GLY B 725 -24.871 3.464 -7.905 1.00 0.00 C ATOM 2039 O GLY B 725 -25.798 2.753 -8.296 1.00 0.00 O ATOM 0 H GLY B 725 -23.329 5.321 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -26.212 5.010 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -24.979 5.577 -8.328 1.00 0.00 H new ATOM 2043 N SER B 726 -23.630 3.000 -7.737 1.00 0.00 N ATOM 2044 CA SER B 726 -23.175 1.664 -8.090 1.00 0.00 C ATOM 2045 C SER B 726 -22.268 1.079 -6.998 1.00 0.00 C ATOM 2046 O SER B 726 -21.846 1.787 -6.082 1.00 0.00 O ATOM 2047 CB SER B 726 -22.465 1.757 -9.451 1.00 0.00 C ATOM 2048 OG SER B 726 -21.565 2.852 -9.524 1.00 0.00 O ATOM 0 H SER B 726 -22.889 3.573 -7.334 1.00 0.00 H new ATOM 0 HA SER B 726 -24.021 0.981 -8.169 1.00 0.00 H new ATOM 0 HB2 SER B 726 -21.921 0.831 -9.636 1.00 0.00 H new ATOM 0 HB3 SER B 726 -23.211 1.852 -10.240 1.00 0.00 H new ATOM 0 HG SER B 726 -21.138 2.867 -10.406 1.00 0.00 H new ATOM 2054 N ALA B 727 -22.016 -0.229 -7.092 1.00 0.00 N ATOM 2055 CA ALA B 727 -21.183 -1.034 -6.206 1.00 0.00 C ATOM 2056 C ALA B 727 -20.130 -1.815 -7.009 1.00 0.00 C ATOM 2057 O ALA B 727 -19.971 -3.024 -6.795 1.00 0.00 O ATOM 2058 CB ALA B 727 -22.068 -1.941 -5.342 1.00 0.00 C ATOM 0 H ALA B 727 -22.419 -0.789 -7.843 1.00 0.00 H new ATOM 0 HA ALA B 727 -20.630 -0.381 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -21.440 -2.540 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -22.742 -1.328 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -22.651 -2.600 -5.985 1.00 0.00 H new ATOM 2064 N SER B 728 -19.519 -1.198 -8.025 1.00 0.00 N ATOM 2065 CA SER B 728 -18.497 -1.836 -8.856 1.00 0.00 C ATOM 2066 C SER B 728 -17.349 -2.370 -7.980 1.00 0.00 C ATOM 2067 O SER B 728 -17.201 -1.947 -6.829 1.00 0.00 O ATOM 2068 CB SER B 728 -17.944 -0.816 -9.868 1.00 0.00 C ATOM 2069 OG SER B 728 -18.955 0.022 -10.413 1.00 0.00 O ATOM 0 H SER B 728 -19.722 -0.235 -8.295 1.00 0.00 H new ATOM 0 HA SER B 728 -18.949 -2.672 -9.389 1.00 0.00 H new ATOM 0 HB2 SER B 728 -17.190 -0.198 -9.380 1.00 0.00 H new ATOM 0 HB3 SER B 728 -17.444 -1.348 -10.677 1.00 0.00 H new ATOM 0 HG SER B 728 -18.552 0.651 -11.047 1.00 0.00 H new ATOM 2075 N SER B 729 -16.576 -3.341 -8.470 1.00 0.00 N ATOM 2076 CA SER B 729 -15.454 -3.881 -7.722 1.00 0.00 C ATOM 2077 C SER B 729 -14.260 -3.021 -8.106 1.00 0.00 C ATOM 2078 O SER B 729 -13.769 -3.103 -9.232 1.00 0.00 O ATOM 2079 CB SER B 729 -15.238 -5.386 -7.959 1.00 0.00 C ATOM 2080 OG SER B 729 -14.034 -5.826 -7.351 1.00 0.00 O ATOM 0 H SER B 729 -16.713 -3.767 -9.387 1.00 0.00 H new ATOM 0 HA SER B 729 -15.632 -3.833 -6.648 1.00 0.00 H new ATOM 0 HB2 SER B 729 -16.081 -5.947 -7.554 1.00 0.00 H new ATOM 0 HB3 SER B 729 -15.205 -5.589 -9.029 1.00 0.00 H new ATOM 0 HG SER B 729 -13.835 -6.740 -7.643 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.814 -2.218 -7.145 1.00 0.00 N ATOM 2087 CA GLU B 730 -12.693 -1.293 -7.247 1.00 0.00 C ATOM 2088 C GLU B 730 -11.478 -2.045 -7.798 1.00 0.00 C ATOM 2089 O GLU B 730 -11.252 -3.196 -7.407 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.376 -0.675 -5.865 1.00 0.00 C ATOM 2091 CG GLU B 730 -13.505 -0.663 -4.810 1.00 0.00 C ATOM 2092 CD GLU B 730 -14.788 0.075 -5.215 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -14.864 0.631 -6.337 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -15.768 0.018 -4.438 1.00 0.00 O ATOM 0 H GLU B 730 -14.250 -2.195 -6.223 1.00 0.00 H new ATOM 0 HA GLU B 730 -12.950 -0.478 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -11.528 -1.214 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.053 0.354 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -13.762 -1.694 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -13.119 -0.209 -3.897 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.679 -1.429 -8.668 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.499 -2.046 -9.276 1.00 0.00 C ATOM 2103 C ASP B 731 -8.271 -1.242 -8.901 1.00 0.00 C ATOM 2104 O ASP B 731 -8.284 -0.014 -9.000 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.625 -2.119 -10.800 1.00 0.00 C ATOM 2106 CG ASP B 731 -10.571 -3.215 -11.272 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -10.518 -4.349 -10.736 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -11.315 -2.952 -12.238 1.00 0.00 O ATOM 0 H ASP B 731 -10.836 -0.469 -8.976 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.411 -3.066 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -9.977 -1.158 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -8.639 -2.288 -11.232 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.226 -1.937 -8.454 1.00 0.00 N ATOM 2114 CA TYR B 732 -5.941 -1.395 -8.026 1.00 0.00 C ATOM 2115 C TYR B 732 -4.822 -2.204 -8.681 1.00 0.00 C ATOM 2116 O TYR B 732 -5.093 -3.135 -9.446 1.00 0.00 O ATOM 2117 CB TYR B 732 -5.850 -1.452 -6.488 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.018 -0.818 -5.753 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.498 0.441 -6.153 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.652 -1.498 -4.699 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.614 1.018 -5.531 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.776 -0.929 -4.076 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.259 0.335 -4.481 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.309 0.894 -3.822 1.00 0.00 O ATOM 0 H TYR B 732 -7.258 -2.954 -8.377 1.00 0.00 H new ATOM 0 HA TYR B 732 -5.841 -0.354 -8.332 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -5.770 -2.495 -6.182 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -4.931 -0.957 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.000 0.972 -6.951 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.276 -2.455 -4.369 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.978 1.982 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.275 -1.463 -3.281 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.047 1.093 -2.899 1.00 0.00 H new ATOM 2134 N ILE B 733 -3.571 -1.912 -8.328 1.00 0.00 N ATOM 2135 CA ILE B 733 -2.424 -2.601 -8.891 1.00 0.00 C ATOM 2136 C ILE B 733 -2.249 -3.880 -8.054 1.00 0.00 C ATOM 2137 O ILE B 733 -1.636 -3.868 -6.982 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.214 -1.633 -8.848 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -1.506 -0.219 -9.406 1.00 0.00 C ATOM 2140 CG2 ILE B 733 0.023 -2.213 -9.542 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -1.508 -0.071 -10.927 1.00 0.00 C ATOM 0 H ILE B 733 -3.331 -1.193 -7.646 1.00 0.00 H new ATOM 0 HA ILE B 733 -2.537 -2.892 -9.935 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.009 -1.520 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.478 0.101 -9.031 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -0.765 0.468 -8.998 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.842 -1.496 -9.484 1.00 0.00 H new ATOM 0 HG22 ILE B 733 0.316 -3.140 -9.049 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -0.208 -2.416 -10.588 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -1.725 0.964 -11.192 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -0.531 -0.349 -11.321 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -2.270 -0.722 -11.355 1.00 0.00 H new ATOM 2153 N ILE B 734 -2.831 -4.980 -8.537 1.00 0.00 N ATOM 2154 CA ILE B 734 -2.800 -6.298 -7.906 1.00 0.00 C ATOM 2155 C ILE B 734 -1.428 -6.898 -8.234 1.00 0.00 C ATOM 2156 O ILE B 734 -1.186 -7.173 -9.410 1.00 0.00 O ATOM 2157 CB ILE B 734 -3.968 -7.179 -8.422 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.362 -6.525 -8.240 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -3.931 -8.536 -7.696 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.464 -7.214 -9.051 1.00 0.00 C ATOM 0 H ILE B 734 -3.356 -4.975 -9.411 1.00 0.00 H new ATOM 0 HA ILE B 734 -2.933 -6.234 -6.826 1.00 0.00 H new ATOM 0 HB ILE B 734 -3.826 -7.305 -9.495 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.631 -6.546 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.305 -5.477 -8.534 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.749 -9.162 -8.053 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -2.981 -9.031 -7.898 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.037 -8.377 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.414 -6.707 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.217 -7.170 -10.112 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.547 -8.256 -8.741 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.533 -7.093 -7.255 1.00 0.00 N ATOM 2173 CA ILE B 735 0.812 -7.638 -7.528 1.00 0.00 C ATOM 2174 C ILE B 735 1.212 -8.646 -6.449 1.00 0.00 C ATOM 2175 O ILE B 735 1.425 -8.290 -5.292 1.00 0.00 O ATOM 2176 CB ILE B 735 1.871 -6.514 -7.687 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.539 -5.458 -8.761 1.00 0.00 C ATOM 2178 CG2 ILE B 735 3.262 -7.097 -7.980 1.00 0.00 C ATOM 2179 CD1 ILE B 735 1.693 -5.885 -10.227 1.00 0.00 C ATOM 0 H ILE B 735 -0.711 -6.884 -6.272 1.00 0.00 H new ATOM 0 HA ILE B 735 0.772 -8.164 -8.482 1.00 0.00 H new ATOM 0 HB ILE B 735 1.861 -6.001 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE B 735 0.510 -5.132 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.177 -4.590 -8.592 1.00 0.00 H new ATOM 0 HG21 ILE B 735 3.982 -6.285 -8.086 1.00 0.00 H new ATOM 0 HG22 ILE B 735 3.565 -7.746 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE B 735 3.227 -7.674 -8.904 1.00 0.00 H new ATOM 0 HD11 ILE B 735 1.429 -5.052 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.726 -6.178 -10.414 1.00 0.00 H new ATOM 0 HD13 ILE B 735 1.034 -6.728 -10.431 1.00 0.00 H new ATOM 2191 N LEU B 736 1.398 -9.905 -6.839 1.00 0.00 N ATOM 2192 CA LEU B 736 1.759 -11.021 -5.971 1.00 0.00 C ATOM 2193 C LEU B 736 2.836 -11.892 -6.634 1.00 0.00 C ATOM 2194 O LEU B 736 2.957 -11.835 -7.858 1.00 0.00 O ATOM 2195 CB LEU B 736 0.485 -11.798 -5.594 1.00 0.00 C ATOM 2196 CG LEU B 736 -0.453 -12.262 -6.728 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.416 -13.286 -6.143 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -1.335 -11.140 -7.303 1.00 0.00 C ATOM 0 H LEU B 736 1.296 -10.187 -7.814 1.00 0.00 H new ATOM 0 HA LEU B 736 2.202 -10.657 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU B 736 0.789 -12.681 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -0.097 -11.173 -4.916 1.00 0.00 H new ATOM 0 HG LEU B 736 0.186 -12.644 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.094 -13.634 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -0.852 -14.131 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -1.992 -12.827 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -1.966 -11.543 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -1.963 -10.729 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -0.702 -10.352 -7.710 1.00 0.00 H new ATOM 2210 N PRO B 737 3.645 -12.645 -5.859 1.00 0.00 N ATOM 2211 CA PRO B 737 4.707 -13.487 -6.398 1.00 0.00 C ATOM 2212 C PRO B 737 4.162 -14.680 -7.178 1.00 0.00 C ATOM 2213 O PRO B 737 3.021 -15.107 -6.997 1.00 0.00 O ATOM 2214 CB PRO B 737 5.516 -13.966 -5.186 1.00 0.00 C ATOM 2215 CG PRO B 737 4.486 -13.985 -4.066 1.00 0.00 C ATOM 2216 CD PRO B 737 3.591 -12.792 -4.409 1.00 0.00 C ATOM 0 HA PRO B 737 5.315 -12.923 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO B 737 5.947 -14.953 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO B 737 6.343 -13.292 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO B 737 3.925 -14.919 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO B 737 4.951 -13.873 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO B 737 2.568 -12.964 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO B 737 3.942 -11.887 -3.913 1.00 0.00 H new ATOM 2224 N GLU B 738 5.051 -15.311 -7.933 1.00 0.00 N ATOM 2225 CA GLU B 738 4.801 -16.465 -8.782 1.00 0.00 C ATOM 2226 C GLU B 738 5.565 -17.709 -8.308 1.00 0.00 C ATOM 2227 O GLU B 738 5.445 -18.770 -8.926 1.00 0.00 O ATOM 2228 CB GLU B 738 5.223 -16.129 -10.225 1.00 0.00 C ATOM 2229 CG GLU B 738 4.925 -14.699 -10.710 1.00 0.00 C ATOM 2230 CD GLU B 738 6.095 -13.722 -10.493 1.00 0.00 C ATOM 2231 OE1 GLU B 738 6.687 -13.649 -9.390 1.00 0.00 O ATOM 2232 OE2 GLU B 738 6.461 -13.031 -11.473 1.00 0.00 O ATOM 0 H GLU B 738 6.025 -15.011 -7.970 1.00 0.00 H new ATOM 0 HA GLU B 738 3.736 -16.692 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU B 738 6.295 -16.305 -10.317 1.00 0.00 H new ATOM 0 HB3 GLU B 738 4.727 -16.828 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU B 738 4.678 -14.728 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU B 738 4.046 -14.322 -10.188 1.00 0.00 H new ATOM 2239 N SER B 739 6.375 -17.576 -7.254 1.00 0.00 N ATOM 2240 CA SER B 739 7.192 -18.624 -6.658 1.00 0.00 C ATOM 2241 C SER B 739 7.225 -18.416 -5.146 1.00 0.00 C ATOM 2242 O SER B 739 6.196 -17.963 -4.595 1.00 0.00 O ATOM 2243 CB SER B 739 8.604 -18.567 -7.261 1.00 0.00 C ATOM 2244 OG SER B 739 8.616 -18.508 -8.679 1.00 0.00 O ATOM 0 H SER B 739 6.480 -16.684 -6.771 1.00 0.00 H new ATOM 0 HA SER B 739 6.773 -19.609 -6.866 1.00 0.00 H new ATOM 0 HB2 SER B 739 9.124 -17.694 -6.865 1.00 0.00 H new ATOM 0 HB3 SER B 739 9.163 -19.445 -6.938 1.00 0.00 H new ATOM 0 HG SER B 739 9.542 -18.472 -8.997 1.00 0.00 H new TER 2250 SER B 739