USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 63 GLN : amide:sc= -1.38 K(o=-2.9,f=-6.3!) USER MOD Set 1.2: A 66 GLN : amide:sc= -1.55 K(o=-2.9,f=-5.3!) USER MOD Set 2.1: A 52 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0.903 (180deg=0.76) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -156:sc=-0.00545 (180deg=-0.695) USER MOD Single : A 14 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.41) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.323 F(o=-1.5,f=-0.32) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 74:sc= 0.808 USER MOD Single : A 21 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.19! C(o=-5!,f=-4.2!) USER MOD Single : A 30 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.5!) USER MOD Single : A 31 HIS : no HD1:sc= -3.6! K(o=-3.6!,f=-5.5) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -147:sc= -1.21 (180deg=-2.12) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.466 F(o=-1.5,f=-0.47) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-3.7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.014) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -149:sc= -1.23 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.566 -7.841 -6.130 1.00 0.00 N ATOM 60 CA GLY A 7 -12.702 -6.825 -6.709 1.00 0.00 C ATOM 61 C GLY A 7 -11.445 -6.626 -5.859 1.00 0.00 C ATOM 62 O GLY A 7 -11.535 -6.268 -4.685 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.419 -7.116 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.245 -5.883 -6.789 1.00 0.00 H new ATOM 66 N PRO A 8 -10.272 -6.872 -6.501 1.00 0.00 N ATOM 67 CA PRO A 8 -8.999 -6.723 -5.817 1.00 0.00 C ATOM 68 C PRO A 8 -8.637 -5.246 -5.648 1.00 0.00 C ATOM 69 O PRO A 8 -8.693 -4.476 -6.606 1.00 0.00 O ATOM 70 CB PRO A 8 -8.001 -7.485 -6.674 1.00 0.00 C ATOM 71 CG PRO A 8 -8.654 -7.638 -8.038 1.00 0.00 C ATOM 72 CD PRO A 8 -10.127 -7.296 -7.890 1.00 0.00 C ATOM 0 HA PRO A 8 -9.017 -7.120 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.058 -6.943 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.775 -8.458 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.180 -6.978 -8.764 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.534 -8.657 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.420 -6.504 -8.578 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.757 -8.158 -8.109 1.00 0.00 H new ATOM 80 N LYS A 9 -8.273 -4.895 -4.424 1.00 0.00 N ATOM 81 CA LYS A 9 -7.902 -3.524 -4.117 1.00 0.00 C ATOM 82 C LYS A 9 -6.402 -3.340 -4.360 1.00 0.00 C ATOM 83 O LYS A 9 -5.645 -4.309 -4.350 1.00 0.00 O ATOM 84 CB LYS A 9 -8.345 -3.153 -2.700 1.00 0.00 C ATOM 85 CG LYS A 9 -7.303 -3.588 -1.668 1.00 0.00 C ATOM 86 CD LYS A 9 -6.736 -2.381 -0.919 1.00 0.00 C ATOM 87 CE LYS A 9 -5.391 -2.719 -0.272 1.00 0.00 C ATOM 88 NZ LYS A 9 -4.558 -1.502 -0.142 1.00 0.00 N ATOM 0 H LYS A 9 -8.227 -5.537 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.421 -2.831 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.500 -2.076 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.301 -3.627 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.756 -4.281 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.495 -4.124 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.612 -1.546 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.442 -2.060 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.554 -3.162 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.868 -3.462 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.613 -1.764 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.472 -1.040 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.004 -0.847 0.531 1.00 0.00 H new ATOM 102 N LYS A 10 -6.019 -2.090 -4.574 1.00 0.00 N ATOM 103 CA LYS A 10 -4.624 -1.766 -4.819 1.00 0.00 C ATOM 104 C LYS A 10 -3.848 -1.844 -3.504 1.00 0.00 C ATOM 105 O LYS A 10 -4.091 -1.060 -2.588 1.00 0.00 O ATOM 106 CB LYS A 10 -4.504 -0.413 -5.525 1.00 0.00 C ATOM 107 CG LYS A 10 -3.224 -0.342 -6.360 1.00 0.00 C ATOM 108 CD LYS A 10 -3.508 -0.663 -7.828 1.00 0.00 C ATOM 109 CE LYS A 10 -4.555 0.292 -8.406 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.998 1.034 -9.559 1.00 0.00 N ATOM 0 H LYS A 10 -6.651 -1.289 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.177 -2.494 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.371 -0.256 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.505 0.388 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.788 0.654 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.489 -1.044 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.586 -0.590 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.859 -1.691 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.435 -0.270 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.880 0.993 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.721 1.678 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.172 1.585 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.710 0.362 -10.298 1.00 0.00 H new ATOM 124 N PRO A 11 -2.905 -2.823 -3.450 1.00 0.00 N ATOM 125 CA PRO A 11 -2.091 -3.014 -2.261 1.00 0.00 C ATOM 126 C PRO A 11 -1.019 -1.928 -2.150 1.00 0.00 C ATOM 127 O PRO A 11 -0.859 -1.113 -3.058 1.00 0.00 O ATOM 128 CB PRO A 11 -1.509 -4.411 -2.404 1.00 0.00 C ATOM 129 CG PRO A 11 -1.640 -4.769 -3.875 1.00 0.00 C ATOM 130 CD PRO A 11 -2.590 -3.770 -4.515 1.00 0.00 C ATOM 0 HA PRO A 11 -2.666 -2.929 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.466 -4.434 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.047 -5.124 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.666 -4.737 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.020 -5.784 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.125 -3.270 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.489 -4.261 -4.887 1.00 0.00 H new ATOM 138 N PRO A 12 -0.295 -1.951 -1.000 1.00 0.00 N ATOM 139 CA PRO A 12 0.757 -0.978 -0.758 1.00 0.00 C ATOM 140 C PRO A 12 2.002 -1.298 -1.589 1.00 0.00 C ATOM 141 O PRO A 12 1.952 -2.133 -2.491 1.00 0.00 O ATOM 142 CB PRO A 12 1.012 -1.038 0.739 1.00 0.00 C ATOM 143 CG PRO A 12 0.428 -2.360 1.209 1.00 0.00 C ATOM 144 CD PRO A 12 -0.457 -2.900 0.097 1.00 0.00 C ATOM 0 HA PRO A 12 0.474 0.030 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.079 -0.983 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.539 -0.199 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.224 -3.068 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.150 -2.219 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.152 -3.904 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.498 -2.964 0.415 1.00 0.00 H new ATOM 152 N MET A 13 3.088 -0.617 -1.256 1.00 0.00 N ATOM 153 CA MET A 13 4.343 -0.818 -1.960 1.00 0.00 C ATOM 154 C MET A 13 5.531 -0.385 -1.099 1.00 0.00 C ATOM 155 O MET A 13 5.370 0.395 -0.161 1.00 0.00 O ATOM 156 CB MET A 13 4.334 -0.012 -3.261 1.00 0.00 C ATOM 157 CG MET A 13 3.635 -0.787 -4.381 1.00 0.00 C ATOM 158 SD MET A 13 4.472 -0.503 -5.932 1.00 0.00 S ATOM 159 CE MET A 13 4.460 1.282 -5.969 1.00 0.00 C ATOM 0 H MET A 13 3.125 0.075 -0.508 1.00 0.00 H new ATOM 0 HA MET A 13 4.447 -1.880 -2.181 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.826 0.939 -3.100 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.357 0.219 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.631 -1.852 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.594 -0.473 -4.457 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.538 1.625 -7.001 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.530 1.649 -5.534 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.304 1.664 -5.395 1.00 0.00 H new ATOM 169 N ASN A 14 6.697 -0.908 -1.448 1.00 0.00 N ATOM 170 CA ASN A 14 7.911 -0.585 -0.719 1.00 0.00 C ATOM 171 C ASN A 14 7.816 -1.154 0.698 1.00 0.00 C ATOM 172 O ASN A 14 8.474 -2.142 1.020 1.00 0.00 O ATOM 173 CB ASN A 14 8.101 0.929 -0.609 1.00 0.00 C ATOM 174 CG ASN A 14 9.206 1.413 -1.550 1.00 0.00 C ATOM 175 OD1 ASN A 14 10.264 0.816 -1.666 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.903 2.525 -2.214 1.00 0.00 N ATOM 0 H ASN A 14 6.827 -1.554 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 14 8.754 -1.016 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.166 1.435 -0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.351 1.194 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.575 2.928 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.999 2.975 -2.070 1.00 0.00 H new ATOM 183 N GLY A 15 6.992 -0.505 1.508 1.00 0.00 N ATOM 184 CA GLY A 15 6.803 -0.934 2.883 1.00 0.00 C ATOM 185 C GLY A 15 6.250 0.206 3.742 1.00 0.00 C ATOM 186 O GLY A 15 5.514 -0.033 4.698 1.00 0.00 O ATOM 0 H GLY A 15 6.448 0.315 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.118 -1.782 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.752 -1.277 3.295 1.00 0.00 H new ATOM 190 N TYR A 16 6.626 1.421 3.369 1.00 0.00 N ATOM 191 CA TYR A 16 6.177 2.598 4.093 1.00 0.00 C ATOM 192 C TYR A 16 4.662 2.770 3.973 1.00 0.00 C ATOM 193 O TYR A 16 3.982 3.029 4.966 1.00 0.00 O ATOM 194 CB TYR A 16 6.868 3.790 3.429 1.00 0.00 C ATOM 195 CG TYR A 16 6.291 5.148 3.833 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.004 5.409 5.158 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.058 6.112 2.874 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.461 6.688 5.538 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.515 7.391 3.254 1.00 0.00 C ATOM 200 CZ TYR A 16 5.243 7.615 4.567 1.00 0.00 C ATOM 201 OH TYR A 16 4.730 8.822 4.927 1.00 0.00 O ATOM 0 H TYR A 16 7.236 1.615 2.575 1.00 0.00 H new ATOM 0 HA TYR A 16 6.418 2.512 5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.928 3.768 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.794 3.683 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.186 4.655 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.283 5.908 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.232 6.906 6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.328 8.154 2.513 1.00 0.00 H new ATOM 0 HH TYR A 16 4.628 9.385 4.131 1.00 0.00 H new ATOM 211 N GLN A 17 4.176 2.620 2.750 1.00 0.00 N ATOM 212 CA GLN A 17 2.754 2.756 2.487 1.00 0.00 C ATOM 213 C GLN A 17 1.968 1.688 3.252 1.00 0.00 C ATOM 214 O GLN A 17 0.794 1.880 3.563 1.00 0.00 O ATOM 215 CB GLN A 17 2.463 2.681 0.987 1.00 0.00 C ATOM 216 CG GLN A 17 3.040 3.895 0.256 1.00 0.00 C ATOM 217 CD GLN A 17 2.651 3.879 -1.224 1.00 0.00 C ATOM 218 OE1 GLN A 17 2.877 2.717 -1.830 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.178 4.857 -1.779 1.00 0.00 N flip ATOM 0 H GLN A 17 4.743 2.405 1.929 1.00 0.00 H new ATOM 0 HA GLN A 17 2.433 3.737 2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.890 1.767 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.386 2.631 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.676 4.811 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.126 3.899 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.030 5.719 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.930 4.812 -2.767 1.00 0.00 H new ATOM 228 N LYS A 18 2.648 0.586 3.532 1.00 0.00 N ATOM 229 CA LYS A 18 2.029 -0.512 4.254 1.00 0.00 C ATOM 230 C LYS A 18 1.747 -0.076 5.693 1.00 0.00 C ATOM 231 O LYS A 18 0.595 -0.055 6.125 1.00 0.00 O ATOM 232 CB LYS A 18 2.889 -1.773 4.152 1.00 0.00 C ATOM 233 CG LYS A 18 2.285 -2.917 4.968 1.00 0.00 C ATOM 234 CD LYS A 18 1.630 -3.956 4.056 1.00 0.00 C ATOM 235 CE LYS A 18 0.878 -5.008 4.874 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.583 -4.854 4.697 1.00 0.00 N ATOM 0 H LYS A 18 3.622 0.430 3.272 1.00 0.00 H new ATOM 0 HA LYS A 18 1.070 -0.770 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.977 -2.074 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.897 -1.560 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.063 -3.392 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.545 -2.521 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.941 -3.461 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.392 -4.441 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.185 -6.007 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.135 -4.909 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.079 -5.575 5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.873 -3.907 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.825 -4.971 3.692 1.00 0.00 H new ATOM 250 N PHE A 19 2.818 0.262 6.396 1.00 0.00 N ATOM 251 CA PHE A 19 2.700 0.697 7.778 1.00 0.00 C ATOM 252 C PHE A 19 1.711 1.857 7.905 1.00 0.00 C ATOM 253 O PHE A 19 0.875 1.870 8.808 1.00 0.00 O ATOM 254 CB PHE A 19 4.086 1.173 8.217 1.00 0.00 C ATOM 255 CG PHE A 19 4.063 2.155 9.390 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.730 1.720 10.635 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.377 3.463 9.188 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.709 2.631 11.724 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.357 4.374 10.277 1.00 0.00 C ATOM 260 CZ PHE A 19 4.023 3.939 11.522 1.00 0.00 C ATOM 0 H PHE A 19 3.772 0.244 6.035 1.00 0.00 H new ATOM 0 HA PHE A 19 2.337 -0.124 8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.686 0.306 8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.582 1.646 7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.481 0.681 10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.641 3.809 8.200 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.444 2.286 12.712 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.607 5.412 10.117 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.007 4.632 12.350 1.00 0.00 H new ATOM 270 N SER A 20 1.838 2.804 6.987 1.00 0.00 N ATOM 271 CA SER A 20 0.966 3.966 6.985 1.00 0.00 C ATOM 272 C SER A 20 -0.497 3.523 7.060 1.00 0.00 C ATOM 273 O SER A 20 -1.218 3.907 7.980 1.00 0.00 O ATOM 274 CB SER A 20 1.197 4.826 5.741 1.00 0.00 C ATOM 275 OG SER A 20 2.532 5.319 5.673 1.00 0.00 O ATOM 0 H SER A 20 2.532 2.790 6.239 1.00 0.00 H new ATOM 0 HA SER A 20 1.201 4.571 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.982 4.238 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.501 5.665 5.746 1.00 0.00 H new ATOM 0 HG SER A 20 3.138 4.590 5.424 1.00 0.00 H new ATOM 281 N GLN A 21 -0.890 2.722 6.081 1.00 0.00 N ATOM 282 CA GLN A 21 -2.253 2.223 6.025 1.00 0.00 C ATOM 283 C GLN A 21 -2.713 1.776 7.414 1.00 0.00 C ATOM 284 O GLN A 21 -3.879 1.941 7.769 1.00 0.00 O ATOM 285 CB GLN A 21 -2.378 1.083 5.012 1.00 0.00 C ATOM 286 CG GLN A 21 -3.017 1.572 3.711 1.00 0.00 C ATOM 287 CD GLN A 21 -4.374 2.225 3.979 1.00 0.00 C ATOM 288 OE1 GLN A 21 -5.038 1.956 4.966 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.749 3.096 3.046 1.00 0.00 N ATOM 0 H GLN A 21 -0.288 2.406 5.320 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.902 3.033 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.392 0.668 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.979 0.279 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.355 2.287 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.142 0.734 3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.145 3.275 2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.640 3.584 3.133 1.00 0.00 H new ATOM 298 N GLU A 22 -1.772 1.219 8.163 1.00 0.00 N ATOM 299 CA GLU A 22 -2.066 0.748 9.505 1.00 0.00 C ATOM 300 C GLU A 22 -2.524 1.910 10.388 1.00 0.00 C ATOM 301 O GLU A 22 -3.488 1.779 11.141 1.00 0.00 O ATOM 302 CB GLU A 22 -0.854 0.041 10.115 1.00 0.00 C ATOM 303 CG GLU A 22 -1.282 -1.198 10.905 1.00 0.00 C ATOM 304 CD GLU A 22 -0.537 -2.443 10.418 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.025 -3.050 9.441 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.503 -2.759 11.035 1.00 0.00 O ATOM 0 H GLU A 22 -0.806 1.084 7.865 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.877 0.022 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.162 -0.249 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.320 0.728 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.085 -1.043 11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.356 -1.348 10.799 1.00 0.00 H new ATOM 313 N LEU A 23 -1.812 3.021 10.265 1.00 0.00 N ATOM 314 CA LEU A 23 -2.134 4.205 11.043 1.00 0.00 C ATOM 315 C LEU A 23 -3.462 4.786 10.553 1.00 0.00 C ATOM 316 O LEU A 23 -4.199 5.398 11.325 1.00 0.00 O ATOM 317 CB LEU A 23 -0.975 5.203 11.004 1.00 0.00 C ATOM 318 CG LEU A 23 0.334 4.736 11.644 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.538 5.160 10.802 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.443 5.229 13.089 1.00 0.00 C ATOM 0 H LEU A 23 -1.014 3.126 9.639 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.267 3.946 12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.777 5.459 9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.293 6.119 11.502 1.00 0.00 H new ATOM 0 HG LEU A 23 0.330 3.646 11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.455 4.816 11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.459 4.721 9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.559 6.247 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.382 4.884 13.521 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.415 6.319 13.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.391 4.836 13.671 1.00 0.00 H new ATOM 332 N LEU A 24 -3.728 4.575 9.272 1.00 0.00 N ATOM 333 CA LEU A 24 -4.954 5.069 8.671 1.00 0.00 C ATOM 334 C LEU A 24 -6.125 4.188 9.110 1.00 0.00 C ATOM 335 O LEU A 24 -7.263 4.649 9.176 1.00 0.00 O ATOM 336 CB LEU A 24 -4.801 5.176 7.152 1.00 0.00 C ATOM 337 CG LEU A 24 -3.843 6.258 6.649 1.00 0.00 C ATOM 338 CD1 LEU A 24 -4.081 6.556 5.168 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.939 7.519 7.510 1.00 0.00 C ATOM 0 H LEU A 24 -3.115 4.068 8.634 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.168 6.080 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.461 4.213 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.785 5.360 6.720 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.824 5.882 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.387 7.328 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.921 5.649 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.105 6.903 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.248 8.272 7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.956 7.909 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.681 7.276 8.541 1.00 0.00 H new ATOM 351 N SER A 25 -5.805 2.935 9.398 1.00 0.00 N ATOM 352 CA SER A 25 -6.815 1.984 9.829 1.00 0.00 C ATOM 353 C SER A 25 -6.852 1.915 11.357 1.00 0.00 C ATOM 354 O SER A 25 -7.841 1.473 11.939 1.00 0.00 O ATOM 355 CB SER A 25 -6.552 0.596 9.241 1.00 0.00 C ATOM 356 OG SER A 25 -7.688 0.086 8.548 1.00 0.00 O ATOM 0 H SER A 25 -4.860 2.556 9.341 1.00 0.00 H new ATOM 0 HA SER A 25 -7.783 2.326 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.703 0.646 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.277 -0.091 10.042 1.00 0.00 H new ATOM 0 HG SER A 25 -7.480 -0.801 8.186 1.00 0.00 H new ATOM 362 N ASN A 26 -5.761 2.360 11.964 1.00 0.00 N ATOM 363 CA ASN A 26 -5.656 2.355 13.413 1.00 0.00 C ATOM 364 C ASN A 26 -6.447 3.535 13.982 1.00 0.00 C ATOM 365 O ASN A 26 -7.385 3.343 14.754 1.00 0.00 O ATOM 366 CB ASN A 26 -4.200 2.502 13.860 1.00 0.00 C ATOM 367 CG ASN A 26 -3.430 1.196 13.658 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.180 1.364 13.236 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -3.936 0.107 13.872 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.942 2.726 11.478 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.051 1.406 13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.721 3.302 13.295 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.166 2.790 14.911 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.902 0.048 14.195 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.393 -0.745 13.728 1.00 0.00 H new ATOM 376 N GLY A 27 -6.039 4.729 13.578 1.00 0.00 N ATOM 377 CA GLY A 27 -6.698 5.939 14.037 1.00 0.00 C ATOM 378 C GLY A 27 -5.883 6.623 15.137 1.00 0.00 C ATOM 379 O GLY A 27 -6.434 7.352 15.961 1.00 0.00 O ATOM 0 H GLY A 27 -5.260 4.884 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.833 6.624 13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.692 5.696 14.413 1.00 0.00 H new ATOM 383 N GLU A 28 -4.584 6.363 15.116 1.00 0.00 N ATOM 384 CA GLU A 28 -3.688 6.944 16.101 1.00 0.00 C ATOM 385 C GLU A 28 -3.446 8.423 15.791 1.00 0.00 C ATOM 386 O GLU A 28 -2.993 9.175 16.652 1.00 0.00 O ATOM 387 CB GLU A 28 -2.368 6.174 16.163 1.00 0.00 C ATOM 388 CG GLU A 28 -2.566 4.714 15.751 1.00 0.00 C ATOM 389 CD GLU A 28 -1.545 3.806 16.442 1.00 0.00 C ATOM 390 OE1 GLU A 28 -0.340 3.996 16.168 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.993 2.943 17.227 1.00 0.00 O ATOM 0 H GLU A 28 -4.130 5.757 14.432 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.160 6.870 17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.637 6.645 15.506 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.964 6.219 17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.576 4.394 16.008 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.468 4.621 14.669 1.00 0.00 H new ATOM 398 N LEU A 29 -3.758 8.795 14.558 1.00 0.00 N ATOM 399 CA LEU A 29 -3.580 10.170 14.124 1.00 0.00 C ATOM 400 C LEU A 29 -4.913 10.715 13.608 1.00 0.00 C ATOM 401 O LEU A 29 -4.951 11.432 12.609 1.00 0.00 O ATOM 402 CB LEU A 29 -2.441 10.268 13.107 1.00 0.00 C ATOM 403 CG LEU A 29 -1.428 9.122 13.123 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.703 9.011 11.779 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.450 9.271 14.290 1.00 0.00 C ATOM 0 H LEU A 29 -4.133 8.168 13.846 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.282 10.798 14.964 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.876 10.329 12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.906 11.202 13.279 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.971 8.189 13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.011 8.189 11.818 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.429 8.824 10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.174 9.942 11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.259 8.443 14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.090 10.213 14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.001 9.263 15.230 1.00 0.00 H new ATOM 417 N ASN A 30 -5.976 10.354 14.313 1.00 0.00 N ATOM 418 CA ASN A 30 -7.308 10.797 13.939 1.00 0.00 C ATOM 419 C ASN A 30 -7.608 12.131 14.625 1.00 0.00 C ATOM 420 O ASN A 30 -8.740 12.611 14.589 1.00 0.00 O ATOM 421 CB ASN A 30 -8.369 9.788 14.383 1.00 0.00 C ATOM 422 CG ASN A 30 -8.579 8.709 13.319 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.026 8.756 12.233 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.408 7.738 13.690 1.00 0.00 N ATOM 0 H ASN A 30 -5.941 9.760 15.141 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.338 10.898 12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.065 9.324 15.321 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.310 10.304 14.573 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.614 6.971 13.050 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.838 7.760 14.615 1.00 0.00 H new ATOM 431 N HIS A 31 -6.574 12.693 15.233 1.00 0.00 N ATOM 432 CA HIS A 31 -6.712 13.963 15.926 1.00 0.00 C ATOM 433 C HIS A 31 -6.478 15.112 14.944 1.00 0.00 C ATOM 434 O HIS A 31 -6.907 16.239 15.187 1.00 0.00 O ATOM 435 CB HIS A 31 -5.785 14.023 17.141 1.00 0.00 C ATOM 436 CG HIS A 31 -4.322 13.848 16.807 1.00 0.00 C ATOM 437 ND1 HIS A 31 -3.742 12.607 16.609 1.00 0.00 N ATOM 438 CD2 HIS A 31 -3.331 14.769 16.637 1.00 0.00 C ATOM 439 CE1 HIS A 31 -2.458 12.785 16.333 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.205 14.126 16.352 1.00 0.00 N ATOM 0 H HIS A 31 -5.636 12.292 15.260 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.727 14.062 16.312 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -5.921 14.982 17.642 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.081 13.249 17.849 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.443 15.840 16.720 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.738 12.006 16.129 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.300 14.562 16.176 1.00 0.00 H new ATOM 448 N LEU A 32 -5.797 14.787 13.854 1.00 0.00 N ATOM 449 CA LEU A 32 -5.500 15.778 12.834 1.00 0.00 C ATOM 450 C LEU A 32 -6.055 15.302 11.490 1.00 0.00 C ATOM 451 O LEU A 32 -6.405 14.133 11.338 1.00 0.00 O ATOM 452 CB LEU A 32 -4.002 16.086 12.806 1.00 0.00 C ATOM 453 CG LEU A 32 -3.079 14.976 13.314 1.00 0.00 C ATOM 454 CD1 LEU A 32 -2.994 13.830 12.305 1.00 0.00 C ATOM 455 CD2 LEU A 32 -1.698 15.531 13.669 1.00 0.00 C ATOM 0 H LEU A 32 -5.443 13.851 13.656 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.992 16.723 13.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.720 16.325 11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.824 16.981 13.403 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.507 14.568 14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.332 13.054 12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.988 13.412 12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.602 14.206 11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.062 14.722 14.027 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.248 15.981 12.784 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.799 16.286 14.449 1.00 0.00 H new ATOM 467 N PRO A 33 -6.120 16.258 10.524 1.00 0.00 N ATOM 468 CA PRO A 33 -6.627 15.948 9.198 1.00 0.00 C ATOM 469 C PRO A 33 -5.599 15.153 8.390 1.00 0.00 C ATOM 470 O PRO A 33 -4.410 15.165 8.708 1.00 0.00 O ATOM 471 CB PRO A 33 -6.955 17.296 8.578 1.00 0.00 C ATOM 472 CG PRO A 33 -6.191 18.327 9.392 1.00 0.00 C ATOM 473 CD PRO A 33 -5.715 17.653 10.669 1.00 0.00 C ATOM 0 HA PRO A 33 -7.511 15.310 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.657 17.327 7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.027 17.490 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.343 18.710 8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.830 19.179 9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.635 17.742 10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.169 18.108 11.550 1.00 0.00 H new ATOM 481 N LEU A 34 -6.094 14.480 7.362 1.00 0.00 N ATOM 482 CA LEU A 34 -5.233 13.681 6.506 1.00 0.00 C ATOM 483 C LEU A 34 -3.977 14.483 6.161 1.00 0.00 C ATOM 484 O LEU A 34 -2.860 14.038 6.423 1.00 0.00 O ATOM 485 CB LEU A 34 -6.004 13.189 5.280 1.00 0.00 C ATOM 486 CG LEU A 34 -5.267 12.199 4.376 1.00 0.00 C ATOM 487 CD1 LEU A 34 -5.591 10.755 4.765 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.564 12.476 2.901 1.00 0.00 C ATOM 0 H LEU A 34 -7.080 14.471 7.102 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.904 12.783 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.928 12.721 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.287 14.055 4.682 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.196 12.338 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.054 10.072 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.287 10.579 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.663 10.584 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.028 11.758 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.635 12.382 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.241 13.486 2.648 1.00 0.00 H new ATOM 500 N LYS A 35 -4.201 15.652 5.579 1.00 0.00 N ATOM 501 CA LYS A 35 -3.101 16.521 5.196 1.00 0.00 C ATOM 502 C LYS A 35 -2.028 16.488 6.285 1.00 0.00 C ATOM 503 O LYS A 35 -0.844 16.666 6.001 1.00 0.00 O ATOM 504 CB LYS A 35 -3.614 17.927 4.879 1.00 0.00 C ATOM 505 CG LYS A 35 -2.464 18.853 4.480 1.00 0.00 C ATOM 506 CD LYS A 35 -2.162 18.738 2.984 1.00 0.00 C ATOM 507 CE LYS A 35 -1.267 19.888 2.516 1.00 0.00 C ATOM 508 NZ LYS A 35 -1.974 20.720 1.516 1.00 0.00 N ATOM 0 H LYS A 35 -5.128 16.018 5.363 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.635 16.163 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.343 17.878 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.129 18.335 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.720 19.884 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.573 18.601 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.673 17.785 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.094 18.745 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.977 20.502 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.349 19.490 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.353 21.496 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.229 20.135 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.837 21.115 1.941 1.00 0.00 H new ATOM 522 N GLU A 36 -2.479 16.260 7.510 1.00 0.00 N ATOM 523 CA GLU A 36 -1.572 16.202 8.643 1.00 0.00 C ATOM 524 C GLU A 36 -1.174 14.753 8.930 1.00 0.00 C ATOM 525 O GLU A 36 -0.022 14.476 9.260 1.00 0.00 O ATOM 526 CB GLU A 36 -2.196 16.854 9.879 1.00 0.00 C ATOM 527 CG GLU A 36 -2.005 18.372 9.853 1.00 0.00 C ATOM 528 CD GLU A 36 -0.658 18.765 10.461 1.00 0.00 C ATOM 529 OE1 GLU A 36 0.350 18.656 9.729 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.665 19.166 11.645 1.00 0.00 O ATOM 0 H GLU A 36 -3.461 16.113 7.742 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.672 16.763 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.259 16.618 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.742 16.442 10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.063 18.732 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.812 18.853 10.406 1.00 0.00 H new ATOM 537 N ARG A 37 -2.149 13.866 8.796 1.00 0.00 N ATOM 538 CA ARG A 37 -1.915 12.453 9.037 1.00 0.00 C ATOM 539 C ARG A 37 -0.737 11.959 8.195 1.00 0.00 C ATOM 540 O ARG A 37 0.206 11.372 8.724 1.00 0.00 O ATOM 541 CB ARG A 37 -3.156 11.624 8.701 1.00 0.00 C ATOM 542 CG ARG A 37 -4.362 12.083 9.522 1.00 0.00 C ATOM 543 CD ARG A 37 -5.490 11.052 9.464 1.00 0.00 C ATOM 544 NE ARG A 37 -6.678 11.560 10.187 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.922 11.094 10.008 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.148 10.108 9.131 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.939 11.616 10.708 1.00 0.00 N ATOM 0 H ARG A 37 -3.104 14.099 8.523 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.686 12.331 10.096 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.380 11.713 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.958 10.570 8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.062 12.241 10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.720 13.041 9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.748 10.841 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.159 10.113 9.907 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.541 12.311 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.373 9.711 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.095 9.754 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.766 12.367 11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.886 11.262 10.573 1.00 0.00 H new ATOM 561 N MET A 38 -0.829 12.215 6.898 1.00 0.00 N ATOM 562 CA MET A 38 0.218 11.804 5.978 1.00 0.00 C ATOM 563 C MET A 38 1.576 12.364 6.406 1.00 0.00 C ATOM 564 O MET A 38 2.616 11.910 5.932 1.00 0.00 O ATOM 565 CB MET A 38 -0.117 12.299 4.569 1.00 0.00 C ATOM 566 CG MET A 38 -1.569 11.981 4.207 1.00 0.00 C ATOM 567 SD MET A 38 -1.984 10.329 4.742 1.00 0.00 S ATOM 568 CE MET A 38 -0.685 9.407 3.936 1.00 0.00 C ATOM 0 H MET A 38 -1.612 12.702 6.463 1.00 0.00 H new ATOM 0 HA MET A 38 0.276 10.716 5.987 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.049 13.375 4.508 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.552 11.832 3.847 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.236 12.703 4.678 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.712 12.070 3.130 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.059 8.424 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.358 9.942 3.045 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.157 9.291 4.619 1.00 0.00 H new ATOM 578 N VAL A 39 1.522 13.341 7.299 1.00 0.00 N ATOM 579 CA VAL A 39 2.735 13.967 7.797 1.00 0.00 C ATOM 580 C VAL A 39 3.206 13.230 9.052 1.00 0.00 C ATOM 581 O VAL A 39 4.332 12.735 9.099 1.00 0.00 O ATOM 582 CB VAL A 39 2.493 15.459 8.036 1.00 0.00 C ATOM 583 CG1 VAL A 39 3.794 16.254 7.903 1.00 0.00 C ATOM 584 CG2 VAL A 39 1.420 16.000 7.089 1.00 0.00 C ATOM 0 H VAL A 39 0.657 13.715 7.691 1.00 0.00 H new ATOM 0 HA VAL A 39 3.533 13.894 7.058 1.00 0.00 H new ATOM 0 HB VAL A 39 2.130 15.580 9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.594 17.311 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.516 15.895 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.200 16.122 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.268 17.062 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.741 15.860 6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.485 15.464 7.254 1.00 0.00 H new ATOM 594 N GLU A 40 2.322 13.178 10.037 1.00 0.00 N ATOM 595 CA GLU A 40 2.634 12.509 11.289 1.00 0.00 C ATOM 596 C GLU A 40 3.159 11.098 11.019 1.00 0.00 C ATOM 597 O GLU A 40 4.096 10.645 11.674 1.00 0.00 O ATOM 598 CB GLU A 40 1.413 12.474 12.211 1.00 0.00 C ATOM 599 CG GLU A 40 1.786 12.906 13.630 1.00 0.00 C ATOM 600 CD GLU A 40 2.329 14.337 13.643 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.527 15.251 13.358 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.535 14.483 13.938 1.00 0.00 O ATOM 0 H GLU A 40 1.389 13.588 9.994 1.00 0.00 H new ATOM 0 HA GLU A 40 3.415 13.075 11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.637 13.132 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.997 11.467 12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.911 12.840 14.276 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.534 12.226 14.036 1.00 0.00 H new ATOM 609 N ILE A 41 2.531 10.441 10.055 1.00 0.00 N ATOM 610 CA ILE A 41 2.923 9.091 9.691 1.00 0.00 C ATOM 611 C ILE A 41 4.399 9.083 9.289 1.00 0.00 C ATOM 612 O ILE A 41 5.210 8.392 9.904 1.00 0.00 O ATOM 613 CB ILE A 41 1.990 8.534 8.613 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.534 8.557 9.084 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.429 7.135 8.177 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.427 8.578 7.893 1.00 0.00 C ATOM 0 H ILE A 41 1.753 10.819 9.515 1.00 0.00 H new ATOM 0 HA ILE A 41 2.821 8.422 10.546 1.00 0.00 H new ATOM 0 HB ILE A 41 2.056 9.179 7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.334 7.682 9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.364 9.434 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.749 6.763 7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.441 7.180 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.410 6.464 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.455 8.594 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.241 9.467 7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.271 7.688 7.284 1.00 0.00 H new ATOM 628 N GLY A 42 4.704 9.860 8.260 1.00 0.00 N ATOM 629 CA GLY A 42 6.068 9.952 7.769 1.00 0.00 C ATOM 630 C GLY A 42 7.066 9.993 8.928 1.00 0.00 C ATOM 631 O GLY A 42 8.158 9.436 8.831 1.00 0.00 O ATOM 0 H GLY A 42 4.029 10.432 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.286 9.098 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.179 10.847 7.157 1.00 0.00 H new ATOM 635 N SER A 43 6.655 10.658 9.998 1.00 0.00 N ATOM 636 CA SER A 43 7.499 10.779 11.174 1.00 0.00 C ATOM 637 C SER A 43 7.612 9.426 11.879 1.00 0.00 C ATOM 638 O SER A 43 8.714 8.945 12.136 1.00 0.00 O ATOM 639 CB SER A 43 6.954 11.835 12.137 1.00 0.00 C ATOM 640 OG SER A 43 7.982 12.401 12.946 1.00 0.00 O ATOM 0 H SER A 43 5.748 11.119 10.075 1.00 0.00 H new ATOM 0 HA SER A 43 8.490 11.097 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.463 12.625 11.569 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.195 11.385 12.777 1.00 0.00 H new ATOM 0 HG SER A 43 7.594 13.072 13.546 1.00 0.00 H new ATOM 646 N ARG A 44 6.455 8.849 12.171 1.00 0.00 N ATOM 647 CA ARG A 44 6.410 7.560 12.841 1.00 0.00 C ATOM 648 C ARG A 44 7.211 6.523 12.052 1.00 0.00 C ATOM 649 O ARG A 44 7.964 5.742 12.633 1.00 0.00 O ATOM 650 CB ARG A 44 4.969 7.071 12.997 1.00 0.00 C ATOM 651 CG ARG A 44 4.184 7.970 13.954 1.00 0.00 C ATOM 652 CD ARG A 44 3.097 7.178 14.683 1.00 0.00 C ATOM 653 NE ARG A 44 3.608 6.698 15.987 1.00 0.00 N ATOM 654 CZ ARG A 44 3.624 7.436 17.105 1.00 0.00 C ATOM 655 NH1 ARG A 44 3.157 8.692 17.086 1.00 0.00 N ATOM 656 NH2 ARG A 44 4.106 6.918 18.243 1.00 0.00 N ATOM 0 H ARG A 44 5.542 9.250 11.956 1.00 0.00 H new ATOM 0 HA ARG A 44 6.848 7.685 13.831 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.479 7.056 12.023 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.967 6.047 13.371 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.864 8.415 14.681 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.730 8.790 13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.219 7.806 14.836 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.781 6.332 14.073 1.00 0.00 H new ATOM 0 HE ARG A 44 3.971 5.746 16.037 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.789 9.086 16.220 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.169 9.254 17.937 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.461 5.962 18.258 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.118 7.480 19.094 1.00 0.00 H new ATOM 670 N TRP A 45 7.022 6.549 10.741 1.00 0.00 N ATOM 671 CA TRP A 45 7.718 5.620 9.866 1.00 0.00 C ATOM 672 C TRP A 45 9.221 5.868 10.014 1.00 0.00 C ATOM 673 O TRP A 45 10.023 4.947 9.864 1.00 0.00 O ATOM 674 CB TRP A 45 7.229 5.755 8.423 1.00 0.00 C ATOM 675 CG TRP A 45 8.104 5.030 7.399 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.083 5.542 6.640 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.040 3.631 7.050 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.652 4.580 5.831 1.00 0.00 N ATOM 679 CE2 TRP A 45 8.997 3.381 6.088 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.200 2.611 7.531 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.206 2.116 5.525 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.421 1.353 6.958 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.381 1.084 5.989 1.00 0.00 C ATOM 0 H TRP A 45 6.397 7.198 10.263 1.00 0.00 H new ATOM 0 HA TRP A 45 7.505 4.589 10.150 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.213 5.367 8.357 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.184 6.813 8.163 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.388 6.578 6.659 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.413 4.722 5.167 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.444 2.784 8.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.963 1.945 4.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.802 0.534 7.292 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.490 0.084 5.596 1.00 0.00 H new ATOM 694 N GLN A 46 9.557 7.116 10.306 1.00 0.00 N ATOM 695 CA GLN A 46 10.949 7.496 10.476 1.00 0.00 C ATOM 696 C GLN A 46 11.421 7.165 11.893 1.00 0.00 C ATOM 697 O GLN A 46 12.604 7.295 12.203 1.00 0.00 O ATOM 698 CB GLN A 46 11.155 8.979 10.162 1.00 0.00 C ATOM 699 CG GLN A 46 11.324 9.203 8.658 1.00 0.00 C ATOM 700 CD GLN A 46 12.784 9.496 8.307 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.709 8.928 8.865 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.939 10.412 7.356 1.00 0.00 N ATOM 0 H GLN A 46 8.889 7.877 10.429 1.00 0.00 H new ATOM 0 HA GLN A 46 11.550 6.922 9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.303 9.553 10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.035 9.347 10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.986 8.320 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.696 10.034 8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.121 10.849 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.876 10.678 7.052 1.00 0.00 H new ATOM 711 N ARG A 47 10.471 6.744 12.715 1.00 0.00 N ATOM 712 CA ARG A 47 10.775 6.393 14.092 1.00 0.00 C ATOM 713 C ARG A 47 11.004 4.886 14.218 1.00 0.00 C ATOM 714 O ARG A 47 11.922 4.449 14.911 1.00 0.00 O ATOM 715 CB ARG A 47 9.640 6.810 15.030 1.00 0.00 C ATOM 716 CG ARG A 47 9.612 8.328 15.216 1.00 0.00 C ATOM 717 CD ARG A 47 8.374 8.761 16.005 1.00 0.00 C ATOM 718 NE ARG A 47 8.727 8.971 17.426 1.00 0.00 N ATOM 719 CZ ARG A 47 7.847 8.917 18.435 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.556 8.659 18.185 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.258 9.121 19.694 1.00 0.00 N ATOM 0 H ARG A 47 9.491 6.638 12.454 1.00 0.00 H new ATOM 0 HA ARG A 47 11.682 6.926 14.378 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.686 6.472 14.625 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.766 6.324 15.997 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.512 8.651 15.739 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.617 8.817 14.242 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.967 9.680 15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.597 8.001 15.923 1.00 0.00 H new ATOM 0 HE ARG A 47 9.702 9.169 17.652 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.243 8.504 17.227 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.886 8.618 18.953 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.241 9.317 19.884 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.588 9.080 20.462 1.00 0.00 H new ATOM 735 N ILE A 48 10.154 4.131 13.537 1.00 0.00 N ATOM 736 CA ILE A 48 10.252 2.682 13.564 1.00 0.00 C ATOM 737 C ILE A 48 11.693 2.267 13.262 1.00 0.00 C ATOM 738 O ILE A 48 12.553 3.117 13.033 1.00 0.00 O ATOM 739 CB ILE A 48 9.222 2.058 12.621 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.285 2.703 11.235 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.816 2.126 13.222 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.488 1.888 10.214 1.00 0.00 C ATOM 0 H ILE A 48 9.394 4.496 12.963 1.00 0.00 H new ATOM 0 HA ILE A 48 10.012 2.302 14.557 1.00 0.00 H new ATOM 0 HB ILE A 48 9.468 1.004 12.496 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.890 3.718 11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.323 2.781 10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.103 1.676 12.531 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.798 1.584 14.167 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.545 3.167 13.396 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.549 2.368 9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.901 0.881 10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.445 1.833 10.527 1.00 0.00 H new ATOM 754 N SER A 49 11.914 0.961 13.271 1.00 0.00 N ATOM 755 CA SER A 49 13.236 0.423 13.000 1.00 0.00 C ATOM 756 C SER A 49 13.211 -0.405 11.714 1.00 0.00 C ATOM 757 O SER A 49 12.157 -0.584 11.107 1.00 0.00 O ATOM 758 CB SER A 49 13.734 -0.429 14.170 1.00 0.00 C ATOM 759 OG SER A 49 14.498 0.335 15.100 1.00 0.00 O ATOM 0 H SER A 49 11.199 0.259 13.462 1.00 0.00 H new ATOM 0 HA SER A 49 13.925 1.258 12.874 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.882 -0.876 14.682 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.342 -1.249 13.788 1.00 0.00 H new ATOM 0 HG SER A 49 14.796 -0.244 15.832 1.00 0.00 H new ATOM 765 N GLN A 50 14.386 -0.888 11.336 1.00 0.00 N ATOM 766 CA GLN A 50 14.512 -1.693 10.133 1.00 0.00 C ATOM 767 C GLN A 50 13.488 -2.830 10.145 1.00 0.00 C ATOM 768 O GLN A 50 12.733 -2.999 9.189 1.00 0.00 O ATOM 769 CB GLN A 50 15.934 -2.237 9.984 1.00 0.00 C ATOM 770 CG GLN A 50 16.094 -3.002 8.669 1.00 0.00 C ATOM 771 CD GLN A 50 15.800 -2.099 7.470 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.532 -2.129 7.068 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.666 -1.420 6.944 1.00 0.00 N flip ATOM 0 H GLN A 50 15.259 -0.737 11.842 1.00 0.00 H new ATOM 0 HA GLN A 50 14.309 -1.057 9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.648 -1.414 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.165 -2.895 10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.108 -3.394 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.420 -3.858 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.621 -1.443 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.436 -0.829 6.145 1.00 0.00 H new ATOM 782 N SER A 51 13.497 -3.579 11.237 1.00 0.00 N ATOM 783 CA SER A 51 12.578 -4.695 11.386 1.00 0.00 C ATOM 784 C SER A 51 11.202 -4.317 10.836 1.00 0.00 C ATOM 785 O SER A 51 10.590 -5.089 10.100 1.00 0.00 O ATOM 786 CB SER A 51 12.466 -5.125 12.850 1.00 0.00 C ATOM 787 OG SER A 51 11.974 -6.456 12.980 1.00 0.00 O ATOM 0 H SER A 51 14.126 -3.436 12.027 1.00 0.00 H new ATOM 0 HA SER A 51 12.969 -5.539 10.817 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.444 -5.052 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.803 -4.440 13.379 1.00 0.00 H new ATOM 0 HG SER A 51 11.919 -6.693 13.929 1.00 0.00 H new ATOM 793 N GLN A 52 10.755 -3.129 11.215 1.00 0.00 N ATOM 794 CA GLN A 52 9.461 -2.638 10.770 1.00 0.00 C ATOM 795 C GLN A 52 9.480 -2.388 9.260 1.00 0.00 C ATOM 796 O GLN A 52 8.746 -3.031 8.512 1.00 0.00 O ATOM 797 CB GLN A 52 9.063 -1.372 11.530 1.00 0.00 C ATOM 798 CG GLN A 52 8.974 -1.641 13.034 1.00 0.00 C ATOM 799 CD GLN A 52 7.516 -1.687 13.497 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.677 -2.363 12.924 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.263 -0.932 14.562 1.00 0.00 N ATOM 0 H GLN A 52 11.266 -2.491 11.826 1.00 0.00 H new ATOM 0 HA GLN A 52 8.712 -3.400 10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.793 -0.585 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.102 -1.011 11.164 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.464 -2.586 13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.508 -0.862 13.579 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.012 -0.391 14.993 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.320 -0.894 14.948 1.00 0.00 H new ATOM 810 N LYS A 53 10.327 -1.453 8.858 1.00 0.00 N ATOM 811 CA LYS A 53 10.451 -1.110 7.452 1.00 0.00 C ATOM 812 C LYS A 53 10.560 -2.393 6.626 1.00 0.00 C ATOM 813 O LYS A 53 9.847 -2.563 5.638 1.00 0.00 O ATOM 814 CB LYS A 53 11.615 -0.140 7.237 1.00 0.00 C ATOM 815 CG LYS A 53 11.371 1.180 7.971 1.00 0.00 C ATOM 816 CD LYS A 53 12.597 2.091 7.884 1.00 0.00 C ATOM 817 CE LYS A 53 12.219 3.548 8.160 1.00 0.00 C ATOM 818 NZ LYS A 53 13.015 4.460 7.309 1.00 0.00 N ATOM 0 H LYS A 53 10.935 -0.922 9.482 1.00 0.00 H new ATOM 0 HA LYS A 53 9.560 -0.584 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.541 -0.592 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.742 0.050 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.507 1.685 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.135 0.981 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.349 1.764 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.046 2.009 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.156 3.697 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.389 3.781 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.746 5.445 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.027 4.329 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.833 4.248 6.307 1.00 0.00 H new ATOM 832 N GLU A 54 11.459 -3.264 7.061 1.00 0.00 N ATOM 833 CA GLU A 54 11.671 -4.527 6.374 1.00 0.00 C ATOM 834 C GLU A 54 10.386 -5.358 6.383 1.00 0.00 C ATOM 835 O GLU A 54 9.844 -5.680 5.327 1.00 0.00 O ATOM 836 CB GLU A 54 12.831 -5.304 7.001 1.00 0.00 C ATOM 837 CG GLU A 54 14.130 -5.066 6.229 1.00 0.00 C ATOM 838 CD GLU A 54 14.363 -6.169 5.194 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.356 -7.348 5.610 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.543 -5.808 4.011 1.00 0.00 O ATOM 0 H GLU A 54 12.049 -3.120 7.881 1.00 0.00 H new ATOM 0 HA GLU A 54 11.936 -4.315 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.959 -4.998 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.598 -6.369 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.089 -4.098 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.969 -5.031 6.924 1.00 0.00 H new ATOM 847 N HIS A 55 9.937 -5.681 7.587 1.00 0.00 N ATOM 848 CA HIS A 55 8.726 -6.469 7.747 1.00 0.00 C ATOM 849 C HIS A 55 7.618 -5.891 6.864 1.00 0.00 C ATOM 850 O HIS A 55 7.158 -6.546 5.931 1.00 0.00 O ATOM 851 CB HIS A 55 8.326 -6.555 9.221 1.00 0.00 C ATOM 852 CG HIS A 55 7.124 -7.433 9.480 1.00 0.00 C ATOM 853 ND1 HIS A 55 7.095 -8.778 9.159 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.912 -7.143 10.034 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.913 -9.266 9.506 1.00 0.00 C ATOM 856 NE2 HIS A 55 5.181 -8.251 10.048 1.00 0.00 N ATOM 0 H HIS A 55 10.390 -5.412 8.461 1.00 0.00 H new ATOM 0 HA HIS A 55 8.907 -7.493 7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.171 -6.935 9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.116 -5.551 9.589 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.600 -6.176 10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.587 -10.288 9.381 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.229 -8.330 10.405 1.00 0.00 H new ATOM 864 N TYR A 56 7.221 -4.670 7.191 1.00 0.00 N ATOM 865 CA TYR A 56 6.176 -3.996 6.440 1.00 0.00 C ATOM 866 C TYR A 56 6.446 -4.071 4.936 1.00 0.00 C ATOM 867 O TYR A 56 5.528 -4.286 4.146 1.00 0.00 O ATOM 868 CB TYR A 56 6.216 -2.532 6.881 1.00 0.00 C ATOM 869 CG TYR A 56 5.514 -2.264 8.214 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.190 -2.618 8.380 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.203 -1.668 9.250 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.529 -2.366 9.634 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.542 -1.416 10.504 1.00 0.00 C ATOM 874 CZ TYR A 56 4.238 -1.777 10.634 1.00 0.00 C ATOM 875 OH TYR A 56 3.613 -1.539 11.819 1.00 0.00 O ATOM 0 H TYR A 56 7.605 -4.130 7.967 1.00 0.00 H new ATOM 0 HA TYR A 56 5.209 -4.462 6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.256 -2.215 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.753 -1.918 6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.650 -3.084 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.239 -1.390 9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.494 -2.638 9.777 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.070 -0.951 11.323 1.00 0.00 H new ATOM 0 HH TYR A 56 4.241 -1.115 12.441 1.00 0.00 H new ATOM 885 N LYS A 57 7.711 -3.890 4.585 1.00 0.00 N ATOM 886 CA LYS A 57 8.114 -3.934 3.190 1.00 0.00 C ATOM 887 C LYS A 57 7.831 -5.328 2.626 1.00 0.00 C ATOM 888 O LYS A 57 7.180 -5.462 1.591 1.00 0.00 O ATOM 889 CB LYS A 57 9.571 -3.493 3.039 1.00 0.00 C ATOM 890 CG LYS A 57 10.175 -4.032 1.740 1.00 0.00 C ATOM 891 CD LYS A 57 11.229 -3.071 1.186 1.00 0.00 C ATOM 892 CE LYS A 57 12.581 -3.288 1.869 1.00 0.00 C ATOM 893 NZ LYS A 57 13.688 -3.051 0.914 1.00 0.00 N ATOM 0 H LYS A 57 8.470 -3.713 5.243 1.00 0.00 H new ATOM 0 HA LYS A 57 7.529 -3.227 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.628 -2.405 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.152 -3.849 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.627 -5.007 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.387 -4.178 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.332 -3.219 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.903 -2.042 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.677 -2.615 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.640 -4.305 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.598 -3.202 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.604 -3.711 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.640 -2.073 0.563 1.00 0.00 H new ATOM 907 N LYS A 58 8.334 -6.330 3.331 1.00 0.00 N ATOM 908 CA LYS A 58 8.144 -7.709 2.913 1.00 0.00 C ATOM 909 C LYS A 58 6.652 -7.970 2.699 1.00 0.00 C ATOM 910 O LYS A 58 6.256 -8.519 1.672 1.00 0.00 O ATOM 911 CB LYS A 58 8.799 -8.666 3.911 1.00 0.00 C ATOM 912 CG LYS A 58 8.252 -10.086 3.749 1.00 0.00 C ATOM 913 CD LYS A 58 7.099 -10.344 4.720 1.00 0.00 C ATOM 914 CE LYS A 58 7.579 -10.274 6.171 1.00 0.00 C ATOM 915 NZ LYS A 58 7.588 -11.624 6.779 1.00 0.00 N ATOM 0 H LYS A 58 8.873 -6.215 4.189 1.00 0.00 H new ATOM 0 HA LYS A 58 8.640 -7.891 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.879 -8.669 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.618 -8.317 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.909 -10.233 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.049 -10.809 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.311 -9.609 4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.666 -11.325 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.580 -9.845 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.928 -9.615 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.916 -11.559 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.626 -12.020 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.228 -12.243 6.241 1.00 0.00 H new ATOM 929 N LEU A 59 5.865 -7.565 3.684 1.00 0.00 N ATOM 930 CA LEU A 59 4.425 -7.749 3.616 1.00 0.00 C ATOM 931 C LEU A 59 3.900 -7.148 2.311 1.00 0.00 C ATOM 932 O LEU A 59 3.260 -7.838 1.519 1.00 0.00 O ATOM 933 CB LEU A 59 3.753 -7.183 4.868 1.00 0.00 C ATOM 934 CG LEU A 59 4.196 -7.791 6.201 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.526 -7.080 7.378 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.946 -9.300 6.225 1.00 0.00 C ATOM 0 H LEU A 59 6.197 -7.110 4.534 1.00 0.00 H new ATOM 0 HA LEU A 59 4.177 -8.810 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.938 -6.109 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.676 -7.318 4.770 1.00 0.00 H new ATOM 0 HG LEU A 59 5.271 -7.641 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.858 -7.532 8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.798 -6.025 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.444 -7.176 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.269 -9.707 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.882 -9.495 6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.508 -9.775 5.421 1.00 0.00 H new ATOM 948 N ALA A 60 4.189 -5.868 2.127 1.00 0.00 N ATOM 949 CA ALA A 60 3.754 -5.167 0.932 1.00 0.00 C ATOM 950 C ALA A 60 3.922 -6.083 -0.282 1.00 0.00 C ATOM 951 O ALA A 60 3.029 -6.174 -1.123 1.00 0.00 O ATOM 952 CB ALA A 60 4.541 -3.862 0.790 1.00 0.00 C ATOM 0 H ALA A 60 4.719 -5.298 2.786 1.00 0.00 H new ATOM 0 HA ALA A 60 2.698 -4.905 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.214 -3.336 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.365 -3.234 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.605 -4.085 0.712 1.00 0.00 H new ATOM 958 N GLU A 61 5.072 -6.739 -0.334 1.00 0.00 N ATOM 959 CA GLU A 61 5.368 -7.645 -1.430 1.00 0.00 C ATOM 960 C GLU A 61 4.274 -8.709 -1.550 1.00 0.00 C ATOM 961 O GLU A 61 3.777 -8.973 -2.643 1.00 0.00 O ATOM 962 CB GLU A 61 6.743 -8.291 -1.252 1.00 0.00 C ATOM 963 CG GLU A 61 7.772 -7.265 -0.773 1.00 0.00 C ATOM 964 CD GLU A 61 7.533 -5.902 -1.426 1.00 0.00 C ATOM 965 OE1 GLU A 61 7.261 -5.898 -2.646 1.00 0.00 O ATOM 966 OE2 GLU A 61 7.628 -4.896 -0.691 1.00 0.00 O ATOM 0 H GLU A 61 5.810 -6.661 0.366 1.00 0.00 H new ATOM 0 HA GLU A 61 5.391 -7.069 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.675 -9.107 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.070 -8.726 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.716 -7.168 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.777 -7.615 -1.010 1.00 0.00 H new ATOM 973 N GLU A 62 3.932 -9.291 -0.409 1.00 0.00 N ATOM 974 CA GLU A 62 2.907 -10.320 -0.373 1.00 0.00 C ATOM 975 C GLU A 62 1.594 -9.781 -0.944 1.00 0.00 C ATOM 976 O GLU A 62 1.080 -10.307 -1.930 1.00 0.00 O ATOM 977 CB GLU A 62 2.711 -10.847 1.050 1.00 0.00 C ATOM 978 CG GLU A 62 3.008 -12.346 1.125 1.00 0.00 C ATOM 979 CD GLU A 62 4.377 -12.665 0.518 1.00 0.00 C ATOM 980 OE1 GLU A 62 5.336 -11.946 0.873 1.00 0.00 O ATOM 981 OE2 GLU A 62 4.432 -13.620 -0.286 1.00 0.00 O ATOM 0 H GLU A 62 4.346 -9.069 0.496 1.00 0.00 H new ATOM 0 HA GLU A 62 3.234 -11.155 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.366 -10.308 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.687 -10.659 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.982 -12.674 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.233 -12.901 0.596 1.00 0.00 H new ATOM 988 N GLN A 63 1.089 -8.739 -0.300 1.00 0.00 N ATOM 989 CA GLN A 63 -0.155 -8.124 -0.731 1.00 0.00 C ATOM 990 C GLN A 63 -0.187 -8.005 -2.256 1.00 0.00 C ATOM 991 O GLN A 63 -1.225 -8.223 -2.878 1.00 0.00 O ATOM 992 CB GLN A 63 -0.349 -6.758 -0.070 1.00 0.00 C ATOM 993 CG GLN A 63 -1.527 -6.784 0.906 1.00 0.00 C ATOM 994 CD GLN A 63 -2.838 -7.078 0.175 1.00 0.00 C ATOM 995 OE1 GLN A 63 -3.041 -8.143 -0.385 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.715 -6.079 0.213 1.00 0.00 N ATOM 0 H GLN A 63 1.519 -8.305 0.517 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.981 -8.763 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.560 -6.474 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.522 -6.001 -0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.354 -7.542 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.600 -5.825 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.481 -5.213 0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.621 -6.178 -0.244 1.00 0.00 H new ATOM 1005 N GLN A 64 0.964 -7.659 -2.815 1.00 0.00 N ATOM 1006 CA GLN A 64 1.081 -7.508 -4.256 1.00 0.00 C ATOM 1007 C GLN A 64 1.118 -8.880 -4.932 1.00 0.00 C ATOM 1008 O GLN A 64 0.556 -9.060 -6.011 1.00 0.00 O ATOM 1009 CB GLN A 64 2.315 -6.682 -4.622 1.00 0.00 C ATOM 1010 CG GLN A 64 2.173 -5.238 -4.136 1.00 0.00 C ATOM 1011 CD GLN A 64 3.436 -4.430 -4.441 1.00 0.00 C ATOM 1012 OE1 GLN A 64 3.536 -3.738 -5.441 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.393 -4.556 -3.526 1.00 0.00 N ATOM 0 H GLN A 64 1.824 -7.479 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 64 0.205 -6.970 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.203 -7.133 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.457 -6.693 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.313 -4.771 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.981 -5.229 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.245 -5.152 -2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.275 -4.057 -3.639 1.00 0.00 H new ATOM 1022 N ARG A 65 1.787 -9.812 -4.269 1.00 0.00 N ATOM 1023 CA ARG A 65 1.905 -11.163 -4.793 1.00 0.00 C ATOM 1024 C ARG A 65 0.519 -11.745 -5.076 1.00 0.00 C ATOM 1025 O ARG A 65 0.239 -12.175 -6.194 1.00 0.00 O ATOM 1026 CB ARG A 65 2.642 -12.073 -3.808 1.00 0.00 C ATOM 1027 CG ARG A 65 2.004 -13.462 -3.763 1.00 0.00 C ATOM 1028 CD ARG A 65 2.917 -14.462 -3.050 1.00 0.00 C ATOM 1029 NE ARG A 65 2.181 -15.717 -2.782 1.00 0.00 N ATOM 1030 CZ ARG A 65 2.760 -16.855 -2.373 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.085 -16.902 -2.185 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.013 -17.946 -2.154 1.00 0.00 N ATOM 0 H ARG A 65 2.253 -9.659 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 65 2.477 -11.111 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.689 -12.159 -4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.624 -11.628 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.045 -13.409 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.803 -13.807 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.793 -14.669 -3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.277 -14.035 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 65 1.170 -15.717 -2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.654 -16.072 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.526 -17.768 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.004 -17.911 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.454 -18.812 -1.843 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.311 -11.742 -4.043 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.661 -12.265 -4.167 1.00 0.00 C ATOM 1048 C GLN A 66 -2.455 -11.450 -5.190 1.00 0.00 C ATOM 1049 O GLN A 66 -3.110 -12.014 -6.065 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.369 -12.281 -2.811 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.601 -13.136 -1.801 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.035 -12.274 -0.671 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -1.423 -11.134 -0.471 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -0.099 -12.879 0.055 1.00 0.00 N ATOM 0 H GLN A 66 -0.075 -11.386 -3.117 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.600 -13.294 -4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.463 -11.263 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.380 -12.671 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.262 -13.897 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.789 -13.660 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.179 -13.835 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.340 -12.387 0.833 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.370 -10.135 -5.047 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.072 -9.237 -5.947 1.00 0.00 C ATOM 1065 C TYR A 67 -2.877 -9.659 -7.405 1.00 0.00 C ATOM 1066 O TYR A 67 -3.845 -9.793 -8.151 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.444 -7.857 -5.740 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.979 -6.782 -6.688 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -4.170 -6.144 -6.406 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -2.271 -6.449 -7.825 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -4.674 -5.132 -7.298 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -2.774 -5.437 -8.717 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.951 -4.828 -8.409 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.427 -3.872 -9.252 1.00 0.00 O ATOM 0 H TYR A 67 -1.825 -9.670 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.142 -9.245 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.619 -7.540 -4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.365 -7.937 -5.870 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.724 -6.404 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.339 -6.948 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.605 -4.626 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.230 -5.168 -9.610 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.807 -3.759 -10.002 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.617 -9.857 -7.767 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.283 -10.262 -9.122 1.00 0.00 C ATOM 1086 C LYS A 68 -2.050 -11.538 -9.472 1.00 0.00 C ATOM 1087 O LYS A 68 -2.391 -11.763 -10.632 1.00 0.00 O ATOM 1088 CB LYS A 68 0.233 -10.390 -9.284 1.00 0.00 C ATOM 1089 CG LYS A 68 0.954 -9.188 -8.670 1.00 0.00 C ATOM 1090 CD LYS A 68 1.764 -8.437 -9.728 1.00 0.00 C ATOM 1091 CE LYS A 68 1.850 -6.946 -9.396 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.255 -6.546 -9.162 1.00 0.00 N ATOM 0 H LYS A 68 -0.816 -9.744 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.593 -9.499 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.577 -11.308 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.484 -10.468 -10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.226 -8.514 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.615 -9.525 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.768 -8.858 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.302 -8.569 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.431 -6.361 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.252 -6.730 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.294 -5.531 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.643 -7.091 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.816 -6.734 -10.017 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.298 -12.341 -8.448 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.018 -13.590 -8.633 1.00 0.00 C ATOM 1108 C VAL A 69 -4.522 -13.310 -8.641 1.00 0.00 C ATOM 1109 O VAL A 69 -5.211 -13.625 -9.610 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.603 -14.597 -7.559 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -3.630 -15.725 -7.440 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -1.206 -15.155 -7.840 1.00 0.00 C ATOM 0 H VAL A 69 -2.013 -12.151 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.766 -14.038 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.568 -14.073 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.311 -16.427 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.600 -15.307 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.711 -16.245 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.936 -15.868 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.202 -15.656 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.484 -14.339 -7.851 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.988 -12.721 -7.550 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.398 -12.395 -7.419 1.00 0.00 C ATOM 1124 C HIS A 70 -6.886 -11.705 -8.695 1.00 0.00 C ATOM 1125 O HIS A 70 -7.898 -12.102 -9.271 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.648 -11.560 -6.161 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.547 -12.343 -4.874 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -7.401 -12.141 -3.804 1.00 0.00 N ATOM 1129 CD2 HIS A 70 -5.685 -13.331 -4.497 1.00 0.00 C ATOM 1130 CE1 HIS A 70 -7.059 -12.974 -2.833 1.00 0.00 C ATOM 1131 NE2 HIS A 70 -5.995 -13.710 -3.264 1.00 0.00 N ATOM 0 H HIS A 70 -4.414 -12.461 -6.748 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.977 -13.311 -7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.930 -10.740 -6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.640 -11.113 -6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.886 -13.736 -5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.539 -13.056 -1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.516 -14.433 -2.727 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.143 -10.685 -9.099 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.487 -9.937 -10.296 1.00 0.00 C ATOM 1141 C LEU A 71 -6.780 -10.914 -11.437 1.00 0.00 C ATOM 1142 O LEU A 71 -7.742 -10.734 -12.182 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.394 -8.919 -10.624 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.820 -7.732 -11.491 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.787 -6.820 -10.734 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.602 -6.969 -12.014 1.00 0.00 C ATOM 0 H LEU A 71 -5.304 -10.359 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.394 -9.355 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.992 -8.533 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.581 -9.439 -11.130 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.354 -8.118 -12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.074 -5.984 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.676 -7.385 -10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.301 -6.440 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.933 -6.131 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.018 -6.595 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.985 -7.637 -12.615 1.00 0.00 H new ATOM 1158 N ASP A 72 -5.932 -11.928 -11.537 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.087 -12.933 -12.574 1.00 0.00 C ATOM 1160 C ASP A 72 -7.355 -13.746 -12.304 1.00 0.00 C ATOM 1161 O ASP A 72 -8.121 -14.031 -13.223 1.00 0.00 O ATOM 1162 CB ASP A 72 -4.900 -13.899 -12.587 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.059 -13.871 -13.865 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -3.258 -12.920 -13.996 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -4.235 -14.802 -14.680 1.00 0.00 O ATOM 0 H ASP A 72 -5.136 -12.074 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.145 -12.421 -13.534 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.254 -13.669 -11.740 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.273 -14.912 -12.438 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.537 -14.097 -11.039 1.00 0.00 N ATOM 1171 CA LEU A 73 -8.698 -14.871 -10.637 1.00 0.00 C ATOM 1172 C LEU A 73 -9.968 -14.071 -10.934 1.00 0.00 C ATOM 1173 O LEU A 73 -11.008 -14.645 -11.253 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.573 -15.305 -9.175 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.256 -15.981 -8.786 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.325 -16.537 -7.363 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -6.870 -17.056 -9.804 1.00 0.00 C ATOM 0 H LEU A 73 -6.899 -13.859 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.759 -15.793 -11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.708 -14.427 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.390 -15.990 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.468 -15.228 -8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.377 -17.012 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.520 -15.724 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.127 -17.272 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.931 -17.521 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.652 -17.814 -9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.752 -16.600 -10.787 1.00 0.00 H new ATOM 1189 N TRP A 74 -9.841 -12.757 -10.819 1.00 0.00 N ATOM 1190 CA TRP A 74 -10.965 -11.871 -11.072 1.00 0.00 C ATOM 1191 C TRP A 74 -11.246 -11.881 -12.576 1.00 0.00 C ATOM 1192 O TRP A 74 -12.385 -11.693 -12.999 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.692 -10.469 -10.524 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.570 -9.378 -11.140 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.790 -8.983 -10.751 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.244 -8.553 -12.279 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.272 -7.968 -11.553 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.302 -7.699 -12.511 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.093 -8.530 -13.085 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.314 -6.758 -13.548 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.121 -7.585 -14.117 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.178 -6.717 -14.364 1.00 0.00 C ATOM 0 H TRP A 74 -8.977 -12.284 -10.554 1.00 0.00 H new ATOM 0 HA TRP A 74 -11.856 -12.219 -10.549 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.843 -10.476 -9.445 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.645 -10.220 -10.698 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.328 -9.405 -9.915 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.174 -7.501 -11.460 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.253 -9.189 -12.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.155 -6.099 -13.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.261 -7.526 -14.767 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.123 -6.014 -15.182 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.188 -12.103 -13.342 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.306 -12.139 -14.789 1.00 0.00 C ATOM 1215 C VAL A 75 -11.010 -13.432 -15.206 1.00 0.00 C ATOM 1216 O VAL A 75 -11.939 -13.406 -16.012 1.00 0.00 O ATOM 1217 CB VAL A 75 -8.927 -11.975 -15.432 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -8.974 -12.310 -16.924 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.381 -10.564 -15.204 1.00 0.00 C ATOM 0 H VAL A 75 -9.245 -12.260 -12.987 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.915 -11.307 -15.143 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.248 -12.679 -14.952 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.981 -12.185 -17.356 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.300 -13.342 -17.055 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.674 -11.642 -17.425 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.400 -10.474 -15.671 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.061 -9.835 -15.645 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.292 -10.377 -14.134 1.00 0.00 H new ATOM 1229 N LYS A 76 -10.540 -14.534 -14.639 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.112 -15.834 -14.942 1.00 0.00 C ATOM 1231 C LYS A 76 -12.625 -15.786 -14.718 1.00 0.00 C ATOM 1232 O LYS A 76 -13.362 -16.611 -15.255 1.00 0.00 O ATOM 1233 CB LYS A 76 -10.407 -16.930 -14.140 1.00 0.00 C ATOM 1234 CG LYS A 76 -8.919 -16.996 -14.492 1.00 0.00 C ATOM 1235 CD LYS A 76 -8.157 -17.871 -13.495 1.00 0.00 C ATOM 1236 CE LYS A 76 -8.532 -19.345 -13.660 1.00 0.00 C ATOM 1237 NZ LYS A 76 -7.433 -20.089 -14.314 1.00 0.00 N ATOM 0 H LYS A 76 -9.769 -14.553 -13.971 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.952 -16.085 -15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.524 -16.737 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.876 -17.893 -14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.797 -17.396 -15.499 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.498 -15.991 -14.495 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.084 -17.746 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.379 -17.547 -12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.746 -19.783 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.441 -19.431 -14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.704 -21.088 -14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.248 -19.681 -15.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.574 -20.022 -13.732 1.00 0.00 H new ATOM 1251 N SER A 77 -13.042 -14.810 -13.925 1.00 0.00 N ATOM 1252 CA SER A 77 -14.454 -14.643 -13.623 1.00 0.00 C ATOM 1253 C SER A 77 -15.088 -13.664 -14.613 1.00 0.00 C ATOM 1254 O SER A 77 -16.283 -13.744 -14.892 1.00 0.00 O ATOM 1255 CB SER A 77 -14.657 -14.153 -12.188 1.00 0.00 C ATOM 1256 OG SER A 77 -15.693 -14.869 -11.521 1.00 0.00 O ATOM 0 H SER A 77 -12.427 -14.127 -13.482 1.00 0.00 H new ATOM 0 HA SER A 77 -14.941 -15.613 -13.718 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.725 -14.262 -11.633 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.900 -13.090 -12.199 1.00 0.00 H new ATOM 0 HG SER A 77 -15.791 -14.528 -10.607 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.259 -12.762 -15.117 1.00 0.00 N ATOM 1263 CA LEU A 78 -14.724 -11.768 -16.070 1.00 0.00 C ATOM 1264 C LEU A 78 -15.413 -12.473 -17.240 1.00 0.00 C ATOM 1265 O LEU A 78 -14.826 -13.346 -17.877 1.00 0.00 O ATOM 1266 CB LEU A 78 -13.573 -10.854 -16.495 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.162 -9.780 -15.486 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.248 -8.739 -16.135 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.390 -9.140 -14.836 1.00 0.00 C ATOM 0 H LEU A 78 -13.268 -12.698 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.465 -11.116 -15.609 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.703 -11.474 -16.710 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.851 -10.362 -17.427 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.590 -10.259 -14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.971 -7.987 -15.396 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.349 -9.228 -16.510 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.772 -8.259 -16.962 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.070 -8.380 -14.123 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.010 -8.678 -15.605 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.967 -9.905 -14.316 1.00 0.00 H new ATOM 1281 N SER A 79 -16.650 -12.068 -17.488 1.00 0.00 N ATOM 1282 CA SER A 79 -17.426 -12.650 -18.570 1.00 0.00 C ATOM 1283 C SER A 79 -16.615 -12.625 -19.867 1.00 0.00 C ATOM 1284 O SER A 79 -15.480 -12.151 -19.885 1.00 0.00 O ATOM 1285 CB SER A 79 -18.751 -11.908 -18.758 1.00 0.00 C ATOM 1286 OG SER A 79 -19.870 -12.787 -18.681 1.00 0.00 O ATOM 0 H SER A 79 -17.134 -11.343 -16.958 1.00 0.00 H new ATOM 0 HA SER A 79 -17.653 -13.684 -18.311 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.845 -11.134 -17.996 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.751 -11.405 -19.725 1.00 0.00 H new ATOM 0 HG SER A 79 -20.591 -12.450 -19.254 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.245 -13.156 -20.949 1.00 0.00 N ATOM 1293 CA PRO A 80 -16.594 -13.200 -22.247 1.00 0.00 C ATOM 1294 C PRO A 80 -16.573 -11.814 -22.897 1.00 0.00 C ATOM 1295 O PRO A 80 -15.810 -11.575 -23.831 1.00 0.00 O ATOM 1296 CB PRO A 80 -17.385 -14.220 -23.050 1.00 0.00 C ATOM 1297 CG PRO A 80 -18.720 -14.366 -22.338 1.00 0.00 C ATOM 1298 CD PRO A 80 -18.588 -13.727 -20.965 1.00 0.00 C ATOM 0 HA PRO A 80 -15.545 -13.491 -22.182 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.525 -13.885 -24.078 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.860 -15.174 -23.095 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -19.512 -13.883 -22.909 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.990 -15.418 -22.245 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.346 -12.959 -20.811 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -18.714 -14.464 -20.172 1.00 0.00 H new ATOM 1306 N GLN A 81 -17.420 -10.939 -22.375 1.00 0.00 N ATOM 1307 CA GLN A 81 -17.508 -9.584 -22.893 1.00 0.00 C ATOM 1308 C GLN A 81 -16.607 -8.648 -22.084 1.00 0.00 C ATOM 1309 O GLN A 81 -15.851 -7.862 -22.655 1.00 0.00 O ATOM 1310 CB GLN A 81 -18.956 -9.089 -22.890 1.00 0.00 C ATOM 1311 CG GLN A 81 -19.031 -7.613 -23.285 1.00 0.00 C ATOM 1312 CD GLN A 81 -20.459 -7.080 -23.146 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -21.406 -7.819 -22.934 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -20.559 -5.761 -23.277 1.00 0.00 N ATOM 0 H GLN A 81 -18.051 -11.142 -21.600 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.162 -9.587 -23.927 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.549 -9.685 -23.583 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.389 -9.227 -21.899 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.359 -7.030 -22.656 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.692 -7.490 -24.314 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.725 -5.201 -23.454 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.470 -5.309 -23.201 1.00 0.00 H new ATOM 1323 N ASP A 82 -16.718 -8.762 -20.769 1.00 0.00 N ATOM 1324 CA ASP A 82 -15.923 -7.935 -19.877 1.00 0.00 C ATOM 1325 C ASP A 82 -14.437 -8.181 -20.150 1.00 0.00 C ATOM 1326 O ASP A 82 -13.680 -7.238 -20.375 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.198 -8.283 -18.412 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.508 -7.727 -17.851 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.556 -8.006 -18.472 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.431 -7.034 -16.813 1.00 0.00 O ATOM 0 H ASP A 82 -17.346 -9.414 -20.300 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.189 -6.893 -20.056 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.207 -9.368 -18.307 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.373 -7.911 -17.805 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.065 -9.452 -20.121 1.00 0.00 N ATOM 1336 CA ARG A 83 -12.683 -9.833 -20.362 1.00 0.00 C ATOM 1337 C ARG A 83 -12.233 -9.349 -21.742 1.00 0.00 C ATOM 1338 O ARG A 83 -11.107 -8.880 -21.902 1.00 0.00 O ATOM 1339 CB ARG A 83 -12.508 -11.350 -20.279 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.135 -11.713 -19.709 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.160 -13.099 -19.061 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.068 -13.933 -19.609 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.054 -15.273 -19.570 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -11.073 -15.937 -19.010 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -9.021 -15.948 -20.093 1.00 0.00 N ATOM 0 H ARG A 83 -14.696 -10.231 -19.934 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.070 -9.366 -19.591 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.291 -11.776 -19.651 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.621 -11.788 -21.271 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.390 -11.693 -20.504 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.835 -10.968 -18.972 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.051 -13.006 -17.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.122 -13.578 -19.244 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.276 -13.459 -20.044 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.860 -15.423 -18.613 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.062 -16.957 -18.980 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.245 -15.442 -20.521 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.010 -16.968 -20.063 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.135 -9.479 -22.703 1.00 0.00 N ATOM 1360 CA ALA A 84 -12.845 -9.061 -24.064 1.00 0.00 C ATOM 1361 C ALA A 84 -12.309 -7.628 -24.049 1.00 0.00 C ATOM 1362 O ALA A 84 -11.467 -7.268 -24.871 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.104 -9.204 -24.922 1.00 0.00 C ATOM 0 H ALA A 84 -14.068 -9.868 -22.566 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.077 -9.696 -24.505 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.886 -8.890 -25.943 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.427 -10.245 -24.923 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.897 -8.579 -24.512 1.00 0.00 H new ATOM 1369 N ALA A 85 -12.819 -6.849 -23.107 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.403 -5.464 -22.974 1.00 0.00 C ATOM 1371 C ALA A 85 -11.088 -5.403 -22.194 1.00 0.00 C ATOM 1372 O ALA A 85 -10.123 -4.787 -22.644 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.516 -4.657 -22.303 1.00 0.00 C ATOM 0 H ALA A 85 -13.517 -7.151 -22.428 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.226 -5.022 -23.954 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.203 -3.618 -22.204 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.419 -4.707 -22.911 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.720 -5.070 -21.315 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.092 -6.051 -21.038 1.00 0.00 N ATOM 1380 CA TYR A 86 -9.912 -6.079 -20.192 1.00 0.00 C ATOM 1381 C TYR A 86 -8.682 -6.535 -20.980 1.00 0.00 C ATOM 1382 O TYR A 86 -7.702 -5.800 -21.087 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.206 -7.101 -19.092 1.00 0.00 C ATOM 1384 CG TYR A 86 -8.977 -7.508 -18.276 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.166 -8.536 -18.716 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.679 -6.849 -17.102 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.010 -8.919 -17.948 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.522 -7.232 -16.334 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.745 -8.248 -16.795 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.653 -8.610 -16.070 1.00 0.00 O ATOM 0 H TYR A 86 -11.894 -6.561 -20.668 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.701 -5.086 -19.795 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.957 -6.688 -18.418 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.640 -7.992 -19.545 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.399 -9.052 -19.636 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.313 -6.045 -16.758 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.368 -9.721 -18.280 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.277 -6.724 -15.413 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.588 -8.044 -15.272 1.00 0.00 H new ATOM 1400 N LYS A 87 -8.774 -7.745 -21.511 1.00 0.00 N ATOM 1401 CA LYS A 87 -7.682 -8.308 -22.286 1.00 0.00 C ATOM 1402 C LYS A 87 -7.341 -7.362 -23.440 1.00 0.00 C ATOM 1403 O LYS A 87 -6.170 -7.158 -23.755 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.021 -9.730 -22.736 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.122 -10.754 -22.040 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.109 -11.350 -23.019 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.397 -12.831 -23.273 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.951 -13.025 -24.632 1.00 0.00 N ATOM 0 H LYS A 87 -9.589 -8.352 -21.420 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.786 -8.399 -21.672 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.066 -9.947 -22.513 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.902 -9.811 -23.816 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.596 -10.278 -21.212 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.733 -11.550 -21.614 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.143 -10.803 -23.961 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.101 -11.235 -22.620 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.480 -13.410 -23.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.102 -13.203 -22.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.141 -14.035 -24.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.836 -12.488 -24.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.265 -12.688 -25.338 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.386 -6.810 -24.039 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.213 -5.892 -25.151 1.00 0.00 C ATOM 1424 C GLU A 88 -7.256 -4.763 -24.762 1.00 0.00 C ATOM 1425 O GLU A 88 -6.509 -4.261 -25.601 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.559 -5.334 -25.616 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.399 -3.927 -26.195 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.450 -3.654 -27.272 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -10.364 -4.314 -28.330 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.317 -2.791 -27.013 1.00 0.00 O ATOM 0 H GLU A 88 -9.356 -6.981 -23.775 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.777 -6.441 -25.986 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.990 -5.994 -26.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.255 -5.309 -24.778 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.490 -3.189 -25.398 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.401 -3.816 -26.619 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.310 -4.396 -23.490 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.458 -3.335 -22.980 1.00 0.00 C ATOM 1439 C TYR A 89 -5.105 -3.889 -22.527 1.00 0.00 C ATOM 1440 O TYR A 89 -4.097 -3.186 -22.569 1.00 0.00 O ATOM 1441 CB TYR A 89 -7.189 -2.752 -21.769 1.00 0.00 C ATOM 1442 CG TYR A 89 -6.267 -2.076 -20.752 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.573 -2.839 -19.835 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -6.129 -0.703 -20.752 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.706 -2.203 -18.878 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -5.262 -0.066 -19.795 1.00 0.00 C ATOM 1447 CZ TYR A 89 -4.593 -0.848 -18.905 1.00 0.00 C ATOM 1448 OH TYR A 89 -3.774 -0.247 -18.001 1.00 0.00 O ATOM 0 H TYR A 89 -7.931 -4.815 -22.797 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.269 -2.589 -23.752 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.924 -2.026 -22.116 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.739 -3.550 -21.271 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.680 -3.914 -19.835 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.672 -0.106 -21.470 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.158 -2.789 -18.155 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.145 1.008 -19.784 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.791 0.723 -18.139 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.128 -5.144 -22.103 1.00 0.00 N ATOM 1459 CA ILE A 90 -3.916 -5.800 -21.642 1.00 0.00 C ATOM 1460 C ILE A 90 -2.910 -5.870 -22.792 1.00 0.00 C ATOM 1461 O ILE A 90 -1.855 -5.240 -22.737 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.245 -7.163 -21.029 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.147 -7.010 -19.803 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -2.968 -7.942 -20.707 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.322 -6.716 -18.548 1.00 0.00 C ATOM 0 H ILE A 90 -5.966 -5.724 -22.069 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.449 -5.222 -20.845 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.800 -7.744 -21.766 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.861 -6.203 -19.971 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.726 -7.922 -19.657 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.230 -8.907 -20.273 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.397 -8.099 -21.622 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.366 -7.376 -19.997 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.988 -6.612 -17.691 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.626 -7.536 -18.370 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.764 -5.790 -18.688 1.00 0.00 H new