USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 38 HIS : no HD1:sc= -1.61 X(o=-2.9,f=-3) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -2.29! C(o=-2.9!,f=-7.8!) USER MOD Set 1.3: B 107 THR OG1 : rot 72:sc= 0.991 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-1.2) USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0 X(o=-3.6,f=-3.6) USER MOD Set 3.2: A 56 GLN : amide:sc= -3.64! C(o=-3.6!,f=-4!) USER MOD Set 4.1: A 17 TYR OH : rot 78:sc= 0.714 USER MOD Set 4.2: A 83 SER OG : rot -62:sc= 0.89 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.0241 F(o=-1.1,f=-0.024) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0.858 USER MOD Single : A 28 MET CE :methyl -178:sc= 0 (180deg=-0.00449) USER MOD Single : A 31 SER OG : rot 73:sc= 1.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.614 USER MOD Single : A 37 HIS : no HD1:sc=-0.00465 X(o=-0.0046,f=-0.28) USER MOD Single : A 39 MET CE :methyl 153:sc= -0.103 (180deg=-0.702) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.01! C(o=-3!,f=-5.7!) USER MOD Single : A 69 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.003) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.354 K(o=-0.35,f=-3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -150:sc= -1.11 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 GLN : amide:sc= -1.43 K(o=-1.4,f=-11!) USER MOD Single : B 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 104 THR OG1 : rot -150:sc= 1.15 USER MOD Single : B 105 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1) USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.061 20.541 -3.460 1.00 1.49 N ATOM 2 CA GLY A 1 1.850 19.776 -3.834 1.00 1.50 C ATOM 3 C GLY A 1 1.554 18.661 -2.853 1.00 1.34 C ATOM 4 O GLY A 1 2.393 17.786 -2.623 1.00 1.45 O ATOM 0 H1 GLY A 1 3.226 21.294 -4.159 1.00 1.49 H new ATOM 0 H2 GLY A 1 2.927 20.965 -2.520 1.00 1.49 H new ATOM 0 H3 GLY A 1 3.882 19.903 -3.439 1.00 1.49 H new ATOM 0 HA2 GLY A 1 0.996 20.451 -3.883 1.00 1.50 H new ATOM 0 HA3 GLY A 1 1.981 19.356 -4.831 1.00 1.50 H new ATOM 10 N GLY A 2 0.363 18.691 -2.272 1.00 1.30 N ATOM 11 CA GLY A 2 -0.027 17.676 -1.313 1.00 1.18 C ATOM 12 C GLY A 2 -1.206 16.857 -1.800 1.00 1.19 C ATOM 13 O GLY A 2 -1.159 15.626 -1.804 1.00 1.20 O ATOM 0 H GLY A 2 -0.344 19.404 -2.449 1.00 1.30 H new ATOM 0 HA2 GLY A 2 0.818 17.015 -1.120 1.00 1.18 H new ATOM 0 HA3 GLY A 2 -0.282 18.151 -0.366 1.00 1.18 H new ATOM 17 N SER A 3 -2.264 17.540 -2.214 1.00 1.25 N ATOM 18 CA SER A 3 -3.456 16.873 -2.708 1.00 1.29 C ATOM 19 C SER A 3 -3.564 17.030 -4.223 1.00 1.36 C ATOM 20 O SER A 3 -4.080 18.032 -4.726 1.00 1.54 O ATOM 21 CB SER A 3 -4.701 17.430 -2.013 1.00 1.41 C ATOM 22 OG SER A 3 -4.521 17.462 -0.604 1.00 1.39 O ATOM 0 H SER A 3 -2.319 18.559 -2.217 1.00 1.25 H new ATOM 0 HA SER A 3 -3.383 15.809 -2.480 1.00 1.29 H new ATOM 0 HB2 SER A 3 -4.909 18.435 -2.380 1.00 1.41 H new ATOM 0 HB3 SER A 3 -5.566 16.815 -2.260 1.00 1.41 H new ATOM 0 HG SER A 3 -5.327 17.823 -0.179 1.00 1.39 H new ATOM 28 N MET A 4 -3.043 16.047 -4.937 1.00 1.28 N ATOM 29 CA MET A 4 -3.066 16.053 -6.392 1.00 1.37 C ATOM 30 C MET A 4 -3.622 14.737 -6.920 1.00 1.38 C ATOM 31 O MET A 4 -4.414 14.716 -7.861 1.00 1.57 O ATOM 32 CB MET A 4 -1.654 16.286 -6.941 1.00 1.36 C ATOM 33 CG MET A 4 -1.546 16.123 -8.448 1.00 1.51 C ATOM 34 SD MET A 4 -2.484 17.365 -9.355 1.00 1.75 S ATOM 35 CE MET A 4 -2.162 16.860 -11.042 1.00 1.95 C ATOM 0 H MET A 4 -2.595 15.227 -4.529 1.00 1.28 H new ATOM 0 HA MET A 4 -3.713 16.864 -6.726 1.00 1.37 H new ATOM 0 HB2 MET A 4 -1.330 17.291 -6.670 1.00 1.36 H new ATOM 0 HB3 MET A 4 -0.968 15.589 -6.460 1.00 1.36 H new ATOM 0 HG2 MET A 4 -0.498 16.181 -8.741 1.00 1.51 H new ATOM 0 HG3 MET A 4 -1.901 15.131 -8.728 1.00 1.51 H new ATOM 0 HE1 MET A 4 -2.676 17.533 -11.728 1.00 1.95 H new ATOM 0 HE2 MET A 4 -1.090 16.896 -11.234 1.00 1.95 H new ATOM 0 HE3 MET A 4 -2.524 15.843 -11.193 1.00 1.95 H new ATOM 45 N ARG A 5 -3.209 13.644 -6.299 1.00 1.21 N ATOM 46 CA ARG A 5 -3.653 12.322 -6.708 1.00 1.23 C ATOM 47 C ARG A 5 -4.911 11.918 -5.950 1.00 1.21 C ATOM 48 O ARG A 5 -4.927 11.916 -4.717 1.00 1.14 O ATOM 49 CB ARG A 5 -2.551 11.289 -6.470 1.00 1.15 C ATOM 50 CG ARG A 5 -1.526 11.207 -7.589 1.00 1.23 C ATOM 51 CD ARG A 5 -0.514 12.337 -7.510 1.00 1.22 C ATOM 52 NE ARG A 5 0.495 12.232 -8.562 1.00 1.29 N ATOM 53 CZ ARG A 5 1.764 12.612 -8.427 1.00 1.34 C ATOM 54 NH1 ARG A 5 2.190 13.128 -7.283 1.00 1.32 N ATOM 55 NH2 ARG A 5 2.613 12.457 -9.433 1.00 1.48 N ATOM 0 H ARG A 5 -2.565 13.647 -5.508 1.00 1.21 H new ATOM 0 HA ARG A 5 -3.881 12.357 -7.773 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -2.038 11.529 -5.539 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -3.009 10.309 -6.339 1.00 1.15 H new ATOM 0 HG2 ARG A 5 -1.007 10.250 -7.537 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -2.035 11.242 -8.552 1.00 1.23 H new ATOM 0 HD2 ARG A 5 -1.029 13.294 -7.594 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -0.027 12.322 -6.535 1.00 1.22 H new ATOM 0 HE ARG A 5 0.208 11.842 -9.460 1.00 1.29 H new ATOM 0 HH11 ARG A 5 1.545 13.236 -6.500 1.00 1.32 H new ATOM 0 HH12 ARG A 5 3.163 13.417 -7.185 1.00 1.32 H new ATOM 0 HH21 ARG A 5 2.294 12.047 -10.311 1.00 1.48 H new ATOM 0 HH22 ARG A 5 3.585 12.748 -9.329 1.00 1.48 H new ATOM 69 N PRO A 6 -5.988 11.590 -6.677 1.00 1.28 N ATOM 70 CA PRO A 6 -7.255 11.175 -6.071 1.00 1.28 C ATOM 71 C PRO A 6 -7.155 9.797 -5.414 1.00 1.20 C ATOM 72 O PRO A 6 -6.637 8.851 -6.016 1.00 1.19 O ATOM 73 CB PRO A 6 -8.212 11.137 -7.262 1.00 1.41 C ATOM 74 CG PRO A 6 -7.347 10.879 -8.427 1.00 1.43 C ATOM 75 CD PRO A 6 -6.066 11.608 -8.150 1.00 1.37 C ATOM 0 HA PRO A 6 -7.573 11.846 -5.273 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -8.961 10.354 -7.144 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -8.750 12.079 -7.369 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -7.170 9.811 -8.555 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -7.811 11.237 -9.346 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -5.211 11.109 -8.606 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -6.087 12.625 -8.541 1.00 1.37 H new ATOM 83 N PRO A 7 -7.627 9.664 -4.163 1.00 1.16 N ATOM 84 CA PRO A 7 -7.584 8.392 -3.446 1.00 1.08 C ATOM 85 C PRO A 7 -8.507 7.348 -4.053 1.00 1.12 C ATOM 86 O PRO A 7 -9.482 7.669 -4.732 1.00 1.23 O ATOM 87 CB PRO A 7 -8.062 8.733 -2.033 1.00 1.05 C ATOM 88 CG PRO A 7 -8.029 10.217 -1.940 1.00 1.12 C ATOM 89 CD PRO A 7 -8.215 10.731 -3.341 1.00 1.20 C ATOM 0 HA PRO A 7 -6.583 7.963 -3.481 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -9.069 8.353 -1.859 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -7.415 8.280 -1.282 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -8.818 10.583 -1.283 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -7.082 10.560 -1.522 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -9.267 10.889 -3.577 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -7.708 11.684 -3.492 1.00 1.20 H new ATOM 97 N ILE A 8 -8.186 6.099 -3.795 1.00 1.04 N ATOM 98 CA ILE A 8 -8.958 4.977 -4.276 1.00 1.07 C ATOM 99 C ILE A 8 -9.917 4.514 -3.189 1.00 1.05 C ATOM 100 O ILE A 8 -9.538 3.729 -2.324 1.00 0.97 O ATOM 101 CB ILE A 8 -8.034 3.812 -4.664 1.00 1.04 C ATOM 102 CG1 ILE A 8 -6.947 4.283 -5.638 1.00 1.08 C ATOM 103 CG2 ILE A 8 -8.835 2.667 -5.259 1.00 1.09 C ATOM 104 CD1 ILE A 8 -7.417 4.457 -7.067 1.00 1.19 C ATOM 0 H ILE A 8 -7.373 5.832 -3.240 1.00 1.04 H new ATOM 0 HA ILE A 8 -9.518 5.293 -5.156 1.00 1.07 H new ATOM 0 HB ILE A 8 -7.544 3.449 -3.761 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -6.545 5.232 -5.283 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -6.128 3.564 -5.623 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -8.162 1.853 -5.527 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -9.561 2.312 -4.527 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -9.358 3.013 -6.150 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -6.584 4.792 -7.686 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -7.791 3.506 -7.446 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -8.215 5.199 -7.100 1.00 1.19 H new ATOM 116 N ILE A 9 -11.130 5.051 -3.194 1.00 1.12 N ATOM 117 CA ILE A 9 -12.133 4.692 -2.203 1.00 1.12 C ATOM 118 C ILE A 9 -12.648 3.267 -2.438 1.00 1.13 C ATOM 119 O ILE A 9 -13.517 3.030 -3.278 1.00 1.21 O ATOM 120 CB ILE A 9 -13.318 5.688 -2.220 1.00 1.23 C ATOM 121 CG1 ILE A 9 -12.941 7.065 -1.655 1.00 1.23 C ATOM 122 CG2 ILE A 9 -14.490 5.138 -1.424 1.00 1.26 C ATOM 123 CD1 ILE A 9 -11.637 7.657 -2.138 1.00 1.20 C ATOM 0 H ILE A 9 -11.443 5.740 -3.878 1.00 1.12 H new ATOM 0 HA ILE A 9 -11.656 4.737 -1.224 1.00 1.12 H new ATOM 0 HB ILE A 9 -13.596 5.814 -3.266 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -13.743 7.764 -1.895 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -12.899 6.988 -0.568 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -15.313 5.852 -1.448 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -14.816 4.194 -1.861 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -14.183 4.973 -0.391 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -11.482 8.629 -1.669 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -10.815 6.991 -1.874 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -11.672 7.779 -3.221 1.00 1.20 H new ATOM 135 N ILE A 10 -12.079 2.325 -1.708 1.00 1.03 N ATOM 136 CA ILE A 10 -12.453 0.929 -1.809 1.00 1.03 C ATOM 137 C ILE A 10 -13.476 0.555 -0.753 1.00 1.04 C ATOM 138 O ILE A 10 -13.362 0.956 0.399 1.00 0.99 O ATOM 139 CB ILE A 10 -11.224 0.028 -1.634 1.00 0.93 C ATOM 140 CG1 ILE A 10 -10.105 0.487 -2.557 1.00 0.93 C ATOM 141 CG2 ILE A 10 -11.581 -1.419 -1.913 1.00 0.94 C ATOM 142 CD1 ILE A 10 -8.737 -0.010 -2.150 1.00 0.84 C ATOM 0 H ILE A 10 -11.342 2.509 -1.027 1.00 1.03 H new ATOM 0 HA ILE A 10 -12.886 0.783 -2.799 1.00 1.03 H new ATOM 0 HB ILE A 10 -10.881 0.102 -0.602 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -10.319 0.146 -3.570 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -10.092 1.577 -2.584 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -10.697 -2.043 -1.784 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -12.358 -1.742 -1.220 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -11.945 -1.513 -2.936 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -7.992 0.358 -2.855 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -8.501 0.353 -1.150 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -8.731 -1.100 -2.151 1.00 0.84 H new ATOM 154 N HIS A 11 -14.472 -0.213 -1.156 1.00 1.13 N ATOM 155 CA HIS A 11 -15.510 -0.667 -0.243 1.00 1.17 C ATOM 156 C HIS A 11 -15.077 -1.959 0.442 1.00 1.10 C ATOM 157 O HIS A 11 -14.357 -2.768 -0.145 1.00 1.08 O ATOM 158 CB HIS A 11 -16.810 -0.912 -1.009 1.00 1.31 C ATOM 159 CG HIS A 11 -17.641 0.311 -1.226 1.00 1.40 C ATOM 160 ND1 HIS A 11 -17.450 1.568 -0.776 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -18.797 0.269 -1.967 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -18.497 2.321 -1.237 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -19.282 1.500 -1.947 1.00 1.54 N flip ATOM 0 H HIS A 11 -14.586 -0.538 -2.116 1.00 1.13 H new ATOM 0 HA HIS A 11 -15.673 0.104 0.510 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -16.569 -1.349 -1.978 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -17.404 -1.648 -0.466 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -19.222 -0.591 -2.463 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -18.659 3.374 -1.062 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -20.143 1.787 -2.412 1.00 1.54 H new ATOM 171 N ARG A 12 -15.514 -2.145 1.678 1.00 1.10 N ATOM 172 CA ARG A 12 -15.184 -3.330 2.441 1.00 1.06 C ATOM 173 C ARG A 12 -15.873 -4.564 1.858 1.00 1.10 C ATOM 174 O ARG A 12 -17.028 -4.498 1.426 1.00 1.17 O ATOM 175 CB ARG A 12 -15.606 -3.115 3.894 1.00 1.08 C ATOM 176 CG ARG A 12 -17.093 -2.871 4.064 1.00 1.15 C ATOM 177 CD ARG A 12 -17.477 -2.960 5.522 1.00 1.20 C ATOM 178 NE ARG A 12 -18.915 -2.829 5.740 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.455 -2.425 6.888 1.00 1.44 C ATOM 180 NH1 ARG A 12 -18.679 -2.100 7.914 1.00 1.51 N ATOM 181 NH2 ARG A 12 -20.774 -2.360 7.011 1.00 1.56 N ATOM 0 H ARG A 12 -16.105 -1.479 2.175 1.00 1.10 H new ATOM 0 HA ARG A 12 -14.109 -3.501 2.393 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.320 -3.989 4.480 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -15.058 -2.265 4.301 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -17.354 -1.888 3.672 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -17.657 -3.604 3.487 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.139 -3.915 5.924 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -16.958 -2.179 6.078 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.541 -3.060 4.969 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -17.665 -2.159 7.825 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.097 -1.791 8.792 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.373 -2.619 6.227 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.190 -2.051 7.890 1.00 1.56 H new ATOM 195 N ALA A 13 -15.154 -5.676 1.826 1.00 1.11 N ATOM 196 CA ALA A 13 -15.687 -6.929 1.307 1.00 1.17 C ATOM 197 C ALA A 13 -15.536 -8.030 2.348 1.00 1.23 C ATOM 198 O ALA A 13 -14.992 -9.101 2.077 1.00 1.93 O ATOM 199 CB ALA A 13 -14.976 -7.306 0.014 1.00 1.12 C ATOM 0 H ALA A 13 -14.191 -5.737 2.156 1.00 1.11 H new ATOM 0 HA ALA A 13 -16.748 -6.803 1.090 1.00 1.17 H new ATOM 0 HB1 ALA A 13 -15.382 -8.244 -0.365 1.00 1.12 H new ATOM 0 HB2 ALA A 13 -15.126 -6.520 -0.726 1.00 1.12 H new ATOM 0 HB3 ALA A 13 -13.910 -7.424 0.206 1.00 1.12 H new ATOM 205 N GLY A 14 -16.025 -7.756 3.545 1.00 1.35 N ATOM 206 CA GLY A 14 -15.931 -8.714 4.623 1.00 1.44 C ATOM 207 C GLY A 14 -14.672 -8.516 5.434 1.00 1.47 C ATOM 208 O GLY A 14 -14.651 -7.715 6.370 1.00 1.64 O ATOM 0 H GLY A 14 -16.488 -6.881 3.790 1.00 1.35 H new ATOM 0 HA2 GLY A 14 -16.801 -8.619 5.272 1.00 1.44 H new ATOM 0 HA3 GLY A 14 -15.947 -9.725 4.215 1.00 1.44 H new ATOM 212 N LYS A 15 -13.622 -9.234 5.072 1.00 1.47 N ATOM 213 CA LYS A 15 -12.348 -9.123 5.766 1.00 1.64 C ATOM 214 C LYS A 15 -11.325 -8.400 4.898 1.00 1.33 C ATOM 215 O LYS A 15 -10.387 -7.777 5.401 1.00 1.36 O ATOM 216 CB LYS A 15 -11.827 -10.499 6.141 1.00 2.01 C ATOM 217 CG LYS A 15 -10.652 -10.457 7.103 1.00 2.59 C ATOM 218 CD LYS A 15 -10.216 -11.847 7.514 1.00 2.85 C ATOM 219 CE LYS A 15 -9.431 -12.534 6.408 1.00 3.53 C ATOM 220 NZ LYS A 15 -9.020 -13.912 6.788 1.00 4.00 N ATOM 0 H LYS A 15 -13.626 -9.901 4.300 1.00 1.47 H new ATOM 0 HA LYS A 15 -12.506 -8.545 6.676 1.00 1.64 H new ATOM 0 HB2 LYS A 15 -12.635 -11.075 6.591 1.00 2.01 H new ATOM 0 HB3 LYS A 15 -11.527 -11.025 5.235 1.00 2.01 H new ATOM 0 HG2 LYS A 15 -9.816 -9.937 6.635 1.00 2.59 H new ATOM 0 HG3 LYS A 15 -10.927 -9.885 7.989 1.00 2.59 H new ATOM 0 HD2 LYS A 15 -9.603 -11.786 8.413 1.00 2.85 H new ATOM 0 HD3 LYS A 15 -11.092 -12.445 7.765 1.00 2.85 H new ATOM 0 HE2 LYS A 15 -10.038 -12.573 5.504 1.00 3.53 H new ATOM 0 HE3 LYS A 15 -8.545 -11.944 6.172 1.00 3.53 H new ATOM 0 HZ1 LYS A 15 -8.488 -14.344 6.006 1.00 4.00 H new ATOM 0 HZ2 LYS A 15 -8.419 -13.874 7.636 1.00 4.00 H new ATOM 0 HZ3 LYS A 15 -9.865 -14.484 6.988 1.00 4.00 H new ATOM 234 N LYS A 16 -11.524 -8.477 3.593 1.00 1.18 N ATOM 235 CA LYS A 16 -10.618 -7.859 2.639 1.00 0.94 C ATOM 236 C LYS A 16 -11.302 -6.737 1.869 1.00 0.86 C ATOM 237 O LYS A 16 -12.486 -6.460 2.066 1.00 1.07 O ATOM 238 CB LYS A 16 -10.109 -8.906 1.647 1.00 1.08 C ATOM 239 CG LYS A 16 -9.086 -9.867 2.226 1.00 1.43 C ATOM 240 CD LYS A 16 -8.440 -10.701 1.132 1.00 1.71 C ATOM 241 CE LYS A 16 -7.502 -9.865 0.269 1.00 2.07 C ATOM 242 NZ LYS A 16 -7.272 -10.480 -1.063 1.00 3.06 N ATOM 0 H LYS A 16 -12.312 -8.966 3.167 1.00 1.18 H new ATOM 0 HA LYS A 16 -9.784 -7.438 3.200 1.00 0.94 H new ATOM 0 HB2 LYS A 16 -10.958 -9.479 1.273 1.00 1.08 H new ATOM 0 HB3 LYS A 16 -9.667 -8.395 0.791 1.00 1.08 H new ATOM 0 HG2 LYS A 16 -8.319 -9.308 2.762 1.00 1.43 H new ATOM 0 HG3 LYS A 16 -9.568 -10.523 2.951 1.00 1.43 H new ATOM 0 HD2 LYS A 16 -7.885 -11.524 1.581 1.00 1.71 H new ATOM 0 HD3 LYS A 16 -9.215 -11.143 0.505 1.00 1.71 H new ATOM 0 HE2 LYS A 16 -7.922 -8.867 0.140 1.00 2.07 H new ATOM 0 HE3 LYS A 16 -6.548 -9.745 0.782 1.00 2.07 H new ATOM 0 HZ1 LYS A 16 -6.629 -9.879 -1.617 1.00 3.06 H new ATOM 0 HZ2 LYS A 16 -6.847 -11.422 -0.942 1.00 3.06 H new ATOM 0 HZ3 LYS A 16 -8.178 -10.571 -1.565 1.00 3.06 H new ATOM 256 N TYR A 17 -10.532 -6.090 1.007 1.00 0.70 N ATOM 257 CA TYR A 17 -11.032 -5.014 0.163 1.00 0.74 C ATOM 258 C TYR A 17 -10.874 -5.400 -1.295 1.00 0.83 C ATOM 259 O TYR A 17 -11.324 -4.694 -2.198 1.00 0.92 O ATOM 260 CB TYR A 17 -10.290 -3.712 0.442 1.00 0.70 C ATOM 261 CG TYR A 17 -10.437 -3.244 1.862 1.00 0.66 C ATOM 262 CD1 TYR A 17 -9.605 -3.741 2.844 1.00 0.60 C ATOM 263 CD2 TYR A 17 -11.406 -2.319 2.220 1.00 0.73 C ATOM 264 CE1 TYR A 17 -9.721 -3.343 4.147 1.00 0.61 C ATOM 265 CE2 TYR A 17 -11.538 -1.905 3.530 1.00 0.74 C ATOM 266 CZ TYR A 17 -10.692 -2.422 4.494 1.00 0.69 C ATOM 267 OH TYR A 17 -10.817 -2.015 5.802 1.00 0.73 O ATOM 0 H TYR A 17 -9.542 -6.296 0.873 1.00 0.70 H new ATOM 0 HA TYR A 17 -12.087 -4.857 0.387 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -9.232 -3.848 0.218 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -10.661 -2.938 -0.230 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -8.845 -4.461 2.578 1.00 0.60 H new ATOM 0 HD2 TYR A 17 -12.065 -1.918 1.465 1.00 0.73 H new ATOM 0 HE1 TYR A 17 -9.059 -3.745 4.900 1.00 0.61 H new ATOM 0 HE2 TYR A 17 -12.295 -1.184 3.800 1.00 0.74 H new ATOM 0 HH TYR A 17 -10.115 -1.364 6.011 1.00 0.73 H new ATOM 277 N GLY A 18 -10.203 -6.517 -1.525 1.00 0.83 N ATOM 278 CA GLY A 18 -10.027 -6.990 -2.874 1.00 0.95 C ATOM 279 C GLY A 18 -8.617 -6.869 -3.388 1.00 0.92 C ATOM 280 O GLY A 18 -8.386 -7.010 -4.588 1.00 1.03 O ATOM 0 H GLY A 18 -9.780 -7.100 -0.803 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -10.332 -8.035 -2.924 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -10.692 -6.432 -3.533 1.00 0.95 H new ATOM 284 N PHE A 19 -7.669 -6.594 -2.518 1.00 0.79 N ATOM 285 CA PHE A 19 -6.292 -6.483 -2.969 1.00 0.79 C ATOM 286 C PHE A 19 -5.287 -7.075 -1.996 1.00 0.72 C ATOM 287 O PHE A 19 -5.604 -7.477 -0.875 1.00 0.65 O ATOM 288 CB PHE A 19 -5.915 -5.033 -3.293 1.00 0.80 C ATOM 289 CG PHE A 19 -5.775 -4.116 -2.103 1.00 0.71 C ATOM 290 CD1 PHE A 19 -6.885 -3.518 -1.525 1.00 0.70 C ATOM 291 CD2 PHE A 19 -4.521 -3.834 -1.577 1.00 0.67 C ATOM 292 CE1 PHE A 19 -6.747 -2.661 -0.448 1.00 0.64 C ATOM 293 CE2 PHE A 19 -4.379 -2.981 -0.500 1.00 0.59 C ATOM 294 CZ PHE A 19 -5.493 -2.395 0.066 1.00 0.58 C ATOM 0 H PHE A 19 -7.816 -6.446 -1.520 1.00 0.79 H new ATOM 0 HA PHE A 19 -6.243 -7.076 -3.882 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -4.973 -5.035 -3.841 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -6.671 -4.620 -3.961 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -7.869 -3.724 -1.920 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -3.645 -4.288 -2.016 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -7.620 -2.200 -0.009 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -3.397 -2.773 -0.101 1.00 0.59 H new ATOM 0 HZ PHE A 19 -5.384 -1.729 0.910 1.00 0.58 H new ATOM 304 N THR A 20 -4.070 -7.138 -2.481 1.00 0.76 N ATOM 305 CA THR A 20 -2.946 -7.658 -1.727 1.00 0.74 C ATOM 306 C THR A 20 -1.938 -6.554 -1.471 1.00 0.71 C ATOM 307 O THR A 20 -1.358 -6.010 -2.407 1.00 0.80 O ATOM 308 CB THR A 20 -2.239 -8.790 -2.492 1.00 0.87 C ATOM 309 OG1 THR A 20 -3.187 -9.796 -2.865 1.00 0.92 O ATOM 310 CG2 THR A 20 -1.127 -9.413 -1.659 1.00 0.89 C ATOM 0 H THR A 20 -3.826 -6.827 -3.421 1.00 0.76 H new ATOM 0 HA THR A 20 -3.333 -8.047 -0.785 1.00 0.74 H new ATOM 0 HB THR A 20 -1.791 -8.360 -3.388 1.00 0.87 H new ATOM 0 HG1 THR A 20 -2.729 -10.512 -3.353 1.00 0.92 H new ATOM 0 HG21 THR A 20 -0.648 -10.209 -2.229 1.00 0.89 H new ATOM 0 HG22 THR A 20 -0.389 -8.651 -1.409 1.00 0.89 H new ATOM 0 HG23 THR A 20 -1.547 -9.826 -0.742 1.00 0.89 H new ATOM 318 N LEU A 21 -1.741 -6.222 -0.215 1.00 0.61 N ATOM 319 CA LEU A 21 -0.784 -5.200 0.148 1.00 0.60 C ATOM 320 C LEU A 21 0.535 -5.871 0.469 1.00 0.67 C ATOM 321 O LEU A 21 0.590 -6.769 1.307 1.00 0.65 O ATOM 322 CB LEU A 21 -1.279 -4.391 1.346 1.00 0.47 C ATOM 323 CG LEU A 21 -0.357 -3.251 1.777 1.00 0.47 C ATOM 324 CD1 LEU A 21 -0.175 -2.249 0.650 1.00 0.52 C ATOM 325 CD2 LEU A 21 -0.908 -2.570 3.013 1.00 0.39 C ATOM 0 H LEU A 21 -2.231 -6.645 0.573 1.00 0.61 H new ATOM 0 HA LEU A 21 -0.656 -4.507 -0.684 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -2.258 -3.976 1.106 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -1.417 -5.066 2.190 1.00 0.47 H new ATOM 0 HG LEU A 21 0.620 -3.670 2.017 1.00 0.47 H new ATOM 0 HD11 LEU A 21 0.485 -1.447 0.980 1.00 0.52 H new ATOM 0 HD12 LEU A 21 0.264 -2.748 -0.214 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -1.144 -1.832 0.374 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.242 -1.760 3.310 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.897 -2.166 2.795 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -0.983 -3.294 3.825 1.00 0.39 H new ATOM 337 N ARG A 22 1.590 -5.468 -0.208 1.00 0.79 N ATOM 338 CA ARG A 22 2.886 -6.070 0.024 1.00 0.89 C ATOM 339 C ARG A 22 3.933 -5.013 0.322 1.00 0.90 C ATOM 340 O ARG A 22 4.058 -4.017 -0.391 1.00 0.94 O ATOM 341 CB ARG A 22 3.304 -6.924 -1.175 1.00 1.03 C ATOM 342 CG ARG A 22 2.458 -8.175 -1.356 1.00 1.03 C ATOM 343 CD ARG A 22 3.251 -9.293 -2.011 1.00 1.21 C ATOM 344 NE ARG A 22 4.519 -9.549 -1.328 1.00 1.31 N ATOM 345 CZ ARG A 22 5.698 -9.633 -1.948 1.00 1.47 C ATOM 346 NH1 ARG A 22 5.781 -9.472 -3.264 1.00 1.60 N ATOM 347 NH2 ARG A 22 6.795 -9.879 -1.255 1.00 1.66 N ATOM 0 H ARG A 22 1.577 -4.734 -0.916 1.00 0.79 H new ATOM 0 HA ARG A 22 2.807 -6.718 0.897 1.00 0.89 H new ATOM 0 HB2 ARG A 22 3.242 -6.320 -2.080 1.00 1.03 H new ATOM 0 HB3 ARG A 22 4.348 -7.215 -1.057 1.00 1.03 H new ATOM 0 HG2 ARG A 22 2.089 -8.509 -0.386 1.00 1.03 H new ATOM 0 HG3 ARG A 22 1.586 -7.941 -1.966 1.00 1.03 H new ATOM 0 HD2 ARG A 22 2.653 -10.204 -2.016 1.00 1.21 H new ATOM 0 HD3 ARG A 22 3.447 -9.035 -3.052 1.00 1.21 H new ATOM 0 HE ARG A 22 4.501 -9.671 -0.315 1.00 1.31 H new ATOM 0 HH11 ARG A 22 4.940 -9.283 -3.809 1.00 1.60 H new ATOM 0 HH12 ARG A 22 6.686 -9.538 -3.730 1.00 1.60 H new ATOM 0 HH21 ARG A 22 6.742 -10.005 -0.244 1.00 1.66 H new ATOM 0 HH22 ARG A 22 7.695 -9.943 -1.731 1.00 1.66 H new ATOM 361 N ALA A 23 4.661 -5.227 1.402 1.00 0.90 N ATOM 362 CA ALA A 23 5.715 -4.321 1.805 1.00 0.92 C ATOM 363 C ALA A 23 6.956 -4.614 0.985 1.00 1.06 C ATOM 364 O ALA A 23 7.660 -5.585 1.255 1.00 1.07 O ATOM 365 CB ALA A 23 5.997 -4.482 3.288 1.00 0.90 C ATOM 0 H ALA A 23 4.538 -6.029 2.020 1.00 0.90 H new ATOM 0 HA ALA A 23 5.408 -3.290 1.630 1.00 0.92 H new ATOM 0 HB1 ALA A 23 6.791 -3.797 3.584 1.00 0.90 H new ATOM 0 HB2 ALA A 23 5.094 -4.258 3.856 1.00 0.90 H new ATOM 0 HB3 ALA A 23 6.308 -5.507 3.490 1.00 0.90 H new ATOM 371 N ILE A 24 7.199 -3.800 -0.030 1.00 1.19 N ATOM 372 CA ILE A 24 8.343 -3.998 -0.898 1.00 1.33 C ATOM 373 C ILE A 24 9.587 -3.327 -0.332 1.00 1.38 C ATOM 374 O ILE A 24 9.515 -2.261 0.289 1.00 1.29 O ATOM 375 CB ILE A 24 8.070 -3.508 -2.337 1.00 1.38 C ATOM 376 CG1 ILE A 24 7.629 -2.044 -2.353 1.00 1.29 C ATOM 377 CG2 ILE A 24 7.008 -4.382 -2.990 1.00 1.42 C ATOM 378 CD1 ILE A 24 7.931 -1.337 -3.655 1.00 1.35 C ATOM 0 H ILE A 24 6.618 -2.997 -0.271 1.00 1.19 H new ATOM 0 HA ILE A 24 8.522 -5.072 -0.945 1.00 1.33 H new ATOM 0 HB ILE A 24 8.999 -3.584 -2.902 1.00 1.38 H new ATOM 0 HG12 ILE A 24 6.557 -1.994 -2.162 1.00 1.29 H new ATOM 0 HG13 ILE A 24 8.123 -1.515 -1.538 1.00 1.29 H new ATOM 0 HG21 ILE A 24 6.821 -4.030 -4.005 1.00 1.42 H new ATOM 0 HG22 ILE A 24 7.356 -5.414 -3.022 1.00 1.42 H new ATOM 0 HG23 ILE A 24 6.086 -4.328 -2.411 1.00 1.42 H new ATOM 0 HD11 ILE A 24 7.591 -0.303 -3.595 1.00 1.35 H new ATOM 0 HD12 ILE A 24 9.005 -1.356 -3.839 1.00 1.35 H new ATOM 0 HD13 ILE A 24 7.415 -1.842 -4.471 1.00 1.35 H new ATOM 390 N ARG A 25 10.727 -3.966 -0.545 1.00 1.56 N ATOM 391 CA ARG A 25 11.991 -3.468 -0.041 1.00 1.65 C ATOM 392 C ARG A 25 12.833 -2.902 -1.175 1.00 1.72 C ATOM 393 O ARG A 25 13.305 -3.638 -2.040 1.00 1.95 O ATOM 394 CB ARG A 25 12.735 -4.600 0.661 1.00 1.73 C ATOM 395 CG ARG A 25 13.782 -4.137 1.654 1.00 1.63 C ATOM 396 CD ARG A 25 14.274 -5.304 2.491 1.00 2.12 C ATOM 397 NE ARG A 25 15.409 -4.947 3.337 1.00 2.58 N ATOM 398 CZ ARG A 25 16.682 -5.118 2.987 1.00 3.34 C ATOM 399 NH1 ARG A 25 16.985 -5.639 1.805 1.00 3.82 N ATOM 400 NH2 ARG A 25 17.655 -4.786 3.825 1.00 4.04 N ATOM 0 H ARG A 25 10.799 -4.838 -1.069 1.00 1.56 H new ATOM 0 HA ARG A 25 11.801 -2.665 0.671 1.00 1.65 H new ATOM 0 HB2 ARG A 25 12.011 -5.228 1.181 1.00 1.73 H new ATOM 0 HB3 ARG A 25 13.216 -5.225 -0.092 1.00 1.73 H new ATOM 0 HG2 ARG A 25 14.619 -3.684 1.124 1.00 1.63 H new ATOM 0 HG3 ARG A 25 13.362 -3.368 2.303 1.00 1.63 H new ATOM 0 HD2 ARG A 25 13.459 -5.667 3.117 1.00 2.12 H new ATOM 0 HD3 ARG A 25 14.560 -6.124 1.832 1.00 2.12 H new ATOM 0 HE ARG A 25 15.215 -4.542 4.253 1.00 2.58 H new ATOM 0 HH11 ARG A 25 16.242 -5.910 1.161 1.00 3.82 H new ATOM 0 HH12 ARG A 25 17.961 -5.769 1.540 1.00 3.82 H new ATOM 0 HH21 ARG A 25 17.429 -4.398 4.741 1.00 4.04 H new ATOM 0 HH22 ARG A 25 18.629 -4.918 3.553 1.00 4.04 H new ATOM 414 N VAL A 26 13.008 -1.594 -1.167 1.00 1.56 N ATOM 415 CA VAL A 26 13.787 -0.918 -2.191 1.00 1.61 C ATOM 416 C VAL A 26 15.022 -0.280 -1.580 1.00 1.61 C ATOM 417 O VAL A 26 14.919 0.505 -0.645 1.00 1.63 O ATOM 418 CB VAL A 26 12.952 0.169 -2.902 1.00 1.61 C ATOM 419 CG1 VAL A 26 13.794 0.933 -3.915 1.00 1.72 C ATOM 420 CG2 VAL A 26 11.739 -0.451 -3.578 1.00 1.63 C ATOM 0 H VAL A 26 12.618 -0.973 -0.458 1.00 1.56 H new ATOM 0 HA VAL A 26 14.086 -1.666 -2.925 1.00 1.61 H new ATOM 0 HB VAL A 26 12.608 0.877 -2.148 1.00 1.61 H new ATOM 0 HG11 VAL A 26 13.180 1.692 -4.400 1.00 1.72 H new ATOM 0 HG12 VAL A 26 14.629 1.413 -3.405 1.00 1.72 H new ATOM 0 HG13 VAL A 26 14.176 0.241 -4.666 1.00 1.72 H new ATOM 0 HG21 VAL A 26 11.161 0.329 -4.074 1.00 1.63 H new ATOM 0 HG22 VAL A 26 12.068 -1.184 -4.315 1.00 1.63 H new ATOM 0 HG23 VAL A 26 11.117 -0.943 -2.830 1.00 1.63 H new ATOM 430 N TYR A 27 16.189 -0.625 -2.090 1.00 1.71 N ATOM 431 CA TYR A 27 17.419 -0.059 -1.580 1.00 1.72 C ATOM 432 C TYR A 27 17.591 1.365 -2.067 1.00 1.67 C ATOM 433 O TYR A 27 17.238 1.698 -3.200 1.00 1.72 O ATOM 434 CB TYR A 27 18.623 -0.882 -2.010 1.00 1.86 C ATOM 435 CG TYR A 27 18.898 -2.076 -1.127 1.00 1.85 C ATOM 436 CD1 TYR A 27 19.186 -1.910 0.222 1.00 1.92 C ATOM 437 CD2 TYR A 27 18.875 -3.365 -1.640 1.00 1.89 C ATOM 438 CE1 TYR A 27 19.442 -2.995 1.034 1.00 1.97 C ATOM 439 CE2 TYR A 27 19.130 -4.457 -0.833 1.00 1.97 C ATOM 440 CZ TYR A 27 19.414 -4.266 0.503 1.00 1.98 C ATOM 441 OH TYR A 27 19.661 -5.351 1.314 1.00 2.10 O ATOM 0 H TYR A 27 16.309 -1.291 -2.853 1.00 1.71 H new ATOM 0 HA TYR A 27 17.356 -0.068 -0.492 1.00 1.72 H new ATOM 0 HB2 TYR A 27 18.468 -1.227 -3.032 1.00 1.86 H new ATOM 0 HB3 TYR A 27 19.504 -0.240 -2.020 1.00 1.86 H new ATOM 0 HD1 TYR A 27 19.210 -0.915 0.642 1.00 1.92 H new ATOM 0 HD2 TYR A 27 18.654 -3.517 -2.686 1.00 1.89 H new ATOM 0 HE1 TYR A 27 19.663 -2.849 2.081 1.00 1.97 H new ATOM 0 HE2 TYR A 27 19.107 -5.455 -1.246 1.00 1.97 H new ATOM 0 HH TYR A 27 19.602 -6.174 0.786 1.00 2.10 H new ATOM 451 N MET A 28 18.129 2.193 -1.199 1.00 1.61 N ATOM 452 CA MET A 28 18.377 3.582 -1.515 1.00 1.59 C ATOM 453 C MET A 28 19.521 3.688 -2.519 1.00 1.78 C ATOM 454 O MET A 28 20.520 2.971 -2.408 1.00 2.05 O ATOM 455 CB MET A 28 18.714 4.342 -0.238 1.00 1.51 C ATOM 456 CG MET A 28 17.499 4.839 0.520 1.00 1.36 C ATOM 457 SD MET A 28 16.519 6.010 -0.441 1.00 1.30 S ATOM 458 CE MET A 28 15.590 6.821 0.856 1.00 1.81 C ATOM 0 H MET A 28 18.407 1.923 -0.255 1.00 1.61 H new ATOM 0 HA MET A 28 17.484 4.020 -1.960 1.00 1.59 H new ATOM 0 HB2 MET A 28 19.298 3.694 0.416 1.00 1.51 H new ATOM 0 HB3 MET A 28 19.346 5.193 -0.490 1.00 1.51 H new ATOM 0 HG2 MET A 28 16.875 3.989 0.798 1.00 1.36 H new ATOM 0 HG3 MET A 28 17.822 5.314 1.447 1.00 1.36 H new ATOM 0 HE1 MET A 28 14.910 7.550 0.415 1.00 1.81 H new ATOM 0 HE2 MET A 28 15.016 6.079 1.411 1.00 1.81 H new ATOM 0 HE3 MET A 28 16.277 7.329 1.533 1.00 1.81 H new ATOM 468 N GLY A 29 19.373 4.576 -3.493 1.00 2.07 N ATOM 469 CA GLY A 29 20.395 4.746 -4.511 1.00 2.24 C ATOM 470 C GLY A 29 21.536 5.635 -4.057 1.00 2.33 C ATOM 471 O GLY A 29 21.842 6.644 -4.698 1.00 2.77 O ATOM 0 H GLY A 29 18.561 5.184 -3.598 1.00 2.07 H new ATOM 0 HA2 GLY A 29 20.790 3.769 -4.789 1.00 2.24 H new ATOM 0 HA3 GLY A 29 19.942 5.173 -5.406 1.00 2.24 H new ATOM 475 N ASP A 30 22.171 5.257 -2.955 1.00 2.11 N ATOM 476 CA ASP A 30 23.291 6.016 -2.407 1.00 2.18 C ATOM 477 C ASP A 30 24.054 5.183 -1.381 1.00 2.10 C ATOM 478 O ASP A 30 25.252 4.938 -1.533 1.00 2.12 O ATOM 479 CB ASP A 30 22.825 7.346 -1.779 1.00 2.25 C ATOM 480 CG ASP A 30 21.623 7.212 -0.858 1.00 2.35 C ATOM 481 OD1 ASP A 30 21.808 6.838 0.319 1.00 2.62 O ATOM 482 OD2 ASP A 30 20.482 7.454 -1.312 1.00 2.52 O ATOM 0 H ASP A 30 21.928 4.424 -2.419 1.00 2.11 H new ATOM 0 HA ASP A 30 23.960 6.255 -3.234 1.00 2.18 H new ATOM 0 HB2 ASP A 30 23.653 7.779 -1.217 1.00 2.25 H new ATOM 0 HB3 ASP A 30 22.580 8.046 -2.578 1.00 2.25 H new ATOM 487 N SER A 31 23.355 4.733 -0.351 1.00 2.12 N ATOM 488 CA SER A 31 23.970 3.936 0.695 1.00 2.11 C ATOM 489 C SER A 31 23.475 2.491 0.633 1.00 2.07 C ATOM 490 O SER A 31 23.001 2.038 -0.411 1.00 2.11 O ATOM 491 CB SER A 31 23.671 4.561 2.058 1.00 2.11 C ATOM 492 OG SER A 31 23.725 5.978 1.992 1.00 2.61 O ATOM 0 H SER A 31 22.359 4.907 -0.218 1.00 2.12 H new ATOM 0 HA SER A 31 25.050 3.922 0.546 1.00 2.11 H new ATOM 0 HB2 SER A 31 22.684 4.247 2.397 1.00 2.11 H new ATOM 0 HB3 SER A 31 24.390 4.200 2.793 1.00 2.11 H new ATOM 0 HG SER A 31 22.938 6.313 1.514 1.00 2.61 H new ATOM 498 N ASP A 32 23.573 1.777 1.749 1.00 2.01 N ATOM 499 CA ASP A 32 23.149 0.380 1.809 1.00 2.00 C ATOM 500 C ASP A 32 21.799 0.265 2.485 1.00 1.83 C ATOM 501 O ASP A 32 21.201 -0.809 2.533 1.00 1.80 O ATOM 502 CB ASP A 32 24.168 -0.475 2.565 1.00 2.09 C ATOM 503 CG ASP A 32 24.527 0.085 3.926 1.00 2.37 C ATOM 504 OD1 ASP A 32 23.764 -0.138 4.891 1.00 2.49 O ATOM 505 OD2 ASP A 32 25.579 0.744 4.043 1.00 2.90 O ATOM 0 H ASP A 32 23.943 2.142 2.627 1.00 2.01 H new ATOM 0 HA ASP A 32 23.075 0.014 0.785 1.00 2.00 H new ATOM 0 HB2 ASP A 32 23.768 -1.481 2.688 1.00 2.09 H new ATOM 0 HB3 ASP A 32 25.074 -0.563 1.965 1.00 2.09 H new ATOM 510 N VAL A 33 21.350 1.373 3.032 1.00 1.75 N ATOM 511 CA VAL A 33 20.067 1.443 3.709 1.00 1.62 C ATOM 512 C VAL A 33 18.921 1.120 2.755 1.00 1.57 C ATOM 513 O VAL A 33 18.982 1.400 1.553 1.00 1.61 O ATOM 514 CB VAL A 33 19.855 2.833 4.342 1.00 1.54 C ATOM 515 CG1 VAL A 33 19.973 3.923 3.295 1.00 1.56 C ATOM 516 CG2 VAL A 33 18.517 2.929 5.049 1.00 1.44 C ATOM 0 H VAL A 33 21.863 2.255 3.022 1.00 1.75 H new ATOM 0 HA VAL A 33 20.073 0.696 4.502 1.00 1.62 H new ATOM 0 HB VAL A 33 20.638 2.973 5.087 1.00 1.54 H new ATOM 0 HG11 VAL A 33 19.820 4.895 3.763 1.00 1.56 H new ATOM 0 HG12 VAL A 33 20.965 3.889 2.845 1.00 1.56 H new ATOM 0 HG13 VAL A 33 19.219 3.769 2.523 1.00 1.56 H new ATOM 0 HG21 VAL A 33 18.405 3.923 5.482 1.00 1.44 H new ATOM 0 HG22 VAL A 33 17.714 2.752 4.334 1.00 1.44 H new ATOM 0 HG23 VAL A 33 18.469 2.181 5.840 1.00 1.44 H new ATOM 526 N TYR A 34 17.876 0.538 3.306 1.00 1.52 N ATOM 527 CA TYR A 34 16.719 0.159 2.522 1.00 1.49 C ATOM 528 C TYR A 34 15.587 1.142 2.719 1.00 1.43 C ATOM 529 O TYR A 34 15.645 2.031 3.566 1.00 1.43 O ATOM 530 CB TYR A 34 16.235 -1.250 2.883 1.00 1.49 C ATOM 531 CG TYR A 34 15.692 -1.380 4.294 1.00 1.45 C ATOM 532 CD1 TYR A 34 16.538 -1.627 5.370 1.00 1.52 C ATOM 533 CD2 TYR A 34 14.329 -1.256 4.549 1.00 1.37 C ATOM 534 CE1 TYR A 34 16.041 -1.746 6.655 1.00 1.53 C ATOM 535 CE2 TYR A 34 13.829 -1.372 5.829 1.00 1.37 C ATOM 536 CZ TYR A 34 14.687 -1.618 6.877 1.00 1.45 C ATOM 537 OH TYR A 34 14.190 -1.733 8.155 1.00 1.50 O ATOM 0 H TYR A 34 17.804 0.316 4.299 1.00 1.52 H new ATOM 0 HA TYR A 34 17.025 0.167 1.476 1.00 1.49 H new ATOM 0 HB2 TYR A 34 15.458 -1.547 2.178 1.00 1.49 H new ATOM 0 HB3 TYR A 34 17.062 -1.949 2.758 1.00 1.49 H new ATOM 0 HD1 TYR A 34 17.600 -1.727 5.199 1.00 1.52 H new ATOM 0 HD2 TYR A 34 13.651 -1.066 3.730 1.00 1.37 H new ATOM 0 HE1 TYR A 34 16.711 -1.938 7.480 1.00 1.53 H new ATOM 0 HE2 TYR A 34 12.769 -1.270 6.008 1.00 1.37 H new ATOM 0 HH TYR A 34 13.217 -1.616 8.139 1.00 1.50 H new ATOM 547 N THR A 35 14.562 0.949 1.929 1.00 1.42 N ATOM 548 CA THR A 35 13.379 1.774 1.966 1.00 1.38 C ATOM 549 C THR A 35 12.159 0.884 1.780 1.00 1.30 C ATOM 550 O THR A 35 11.937 0.340 0.697 1.00 1.33 O ATOM 551 CB THR A 35 13.423 2.847 0.862 1.00 1.47 C ATOM 552 OG1 THR A 35 14.773 3.027 0.410 1.00 1.65 O ATOM 553 CG2 THR A 35 12.870 4.171 1.367 1.00 1.43 C ATOM 0 H THR A 35 14.524 0.205 1.232 1.00 1.42 H new ATOM 0 HA THR A 35 13.327 2.285 2.927 1.00 1.38 H new ATOM 0 HB THR A 35 12.803 2.509 0.032 1.00 1.47 H new ATOM 0 HG1 THR A 35 15.055 2.240 -0.101 1.00 1.65 H new ATOM 0 HG21 THR A 35 12.912 4.911 0.568 1.00 1.43 H new ATOM 0 HG22 THR A 35 11.835 4.037 1.683 1.00 1.43 H new ATOM 0 HG23 THR A 35 13.465 4.515 2.213 1.00 1.43 H new ATOM 561 N VAL A 36 11.404 0.694 2.846 1.00 1.22 N ATOM 562 CA VAL A 36 10.223 -0.152 2.796 1.00 1.15 C ATOM 563 C VAL A 36 9.006 0.643 2.326 1.00 1.08 C ATOM 564 O VAL A 36 8.526 1.548 3.013 1.00 1.07 O ATOM 565 CB VAL A 36 9.945 -0.828 4.164 1.00 1.11 C ATOM 566 CG1 VAL A 36 10.003 0.179 5.305 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.609 -1.556 4.152 1.00 1.04 C ATOM 0 H VAL A 36 11.586 1.113 3.758 1.00 1.22 H new ATOM 0 HA VAL A 36 10.417 -0.944 2.073 1.00 1.15 H new ATOM 0 HB VAL A 36 10.731 -1.564 4.331 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.804 -0.329 6.249 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.993 0.633 5.339 1.00 1.09 H new ATOM 0 HG13 VAL A 36 9.254 0.954 5.145 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.439 -2.021 5.123 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.809 -0.845 3.945 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.620 -2.324 3.379 1.00 1.04 H new ATOM 577 N HIS A 37 8.532 0.308 1.135 1.00 1.06 N ATOM 578 CA HIS A 37 7.383 0.977 0.549 1.00 1.01 C ATOM 579 C HIS A 37 6.166 0.063 0.603 1.00 0.93 C ATOM 580 O HIS A 37 6.299 -1.161 0.583 1.00 0.97 O ATOM 581 CB HIS A 37 7.663 1.367 -0.906 1.00 1.10 C ATOM 582 CG HIS A 37 8.775 2.353 -1.084 1.00 1.18 C ATOM 583 ND1 HIS A 37 8.547 3.707 -1.075 1.00 1.25 N ATOM 584 CD2 HIS A 37 10.093 2.130 -1.298 1.00 1.26 C ATOM 585 CE1 HIS A 37 9.723 4.272 -1.285 1.00 1.33 C ATOM 586 NE2 HIS A 37 10.690 3.356 -1.425 1.00 1.34 N ATOM 0 H HIS A 37 8.930 -0.429 0.553 1.00 1.06 H new ATOM 0 HA HIS A 37 7.187 1.883 1.123 1.00 1.01 H new ATOM 0 HB2 HIS A 37 7.901 0.465 -1.471 1.00 1.10 H new ATOM 0 HB3 HIS A 37 6.753 1.783 -1.338 1.00 1.10 H new ATOM 0 HD2 HIS A 37 10.581 1.168 -1.357 1.00 1.26 H new ATOM 0 HE1 HIS A 37 9.884 5.339 -1.337 1.00 1.33 H new ATOM 0 HE2 HIS A 37 11.680 3.537 -1.594 1.00 1.34 H new ATOM 594 N HIS A 38 4.989 0.656 0.668 1.00 0.82 N ATOM 595 CA HIS A 38 3.755 -0.111 0.716 1.00 0.74 C ATOM 596 C HIS A 38 3.082 -0.068 -0.647 1.00 0.78 C ATOM 597 O HIS A 38 2.480 0.937 -1.031 1.00 0.77 O ATOM 598 CB HIS A 38 2.824 0.427 1.807 1.00 0.62 C ATOM 599 CG HIS A 38 3.495 0.545 3.142 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.775 -0.560 3.913 1.00 0.60 N ATOM 601 CD2 HIS A 38 3.951 1.652 3.774 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.393 -0.100 4.988 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.521 1.233 4.946 1.00 0.60 N ATOM 0 H HIS A 38 4.859 1.668 0.689 1.00 0.82 H new ATOM 0 HA HIS A 38 3.985 -1.147 0.964 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.449 1.405 1.507 1.00 0.62 H new ATOM 0 HB3 HIS A 38 1.960 -0.232 1.897 1.00 0.62 H new ATOM 0 HD2 HIS A 38 3.879 2.670 3.421 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.749 -0.720 5.797 1.00 0.61 H new ATOM 0 HE2 HIS A 38 4.960 1.823 5.653 1.00 0.60 H new ATOM 611 N MET A 39 3.213 -1.152 -1.389 1.00 0.84 N ATOM 612 CA MET A 39 2.642 -1.228 -2.720 1.00 0.91 C ATOM 613 C MET A 39 1.635 -2.360 -2.831 1.00 0.88 C ATOM 614 O MET A 39 1.835 -3.447 -2.285 1.00 0.87 O ATOM 615 CB MET A 39 3.756 -1.422 -3.759 1.00 1.05 C ATOM 616 CG MET A 39 3.263 -1.937 -5.110 1.00 1.11 C ATOM 617 SD MET A 39 3.731 -3.649 -5.423 1.00 1.16 S ATOM 618 CE MET A 39 5.277 -3.413 -6.291 1.00 1.33 C ATOM 0 H MET A 39 3.710 -1.992 -1.092 1.00 0.84 H new ATOM 0 HA MET A 39 2.120 -0.291 -2.912 1.00 0.91 H new ATOM 0 HB2 MET A 39 4.268 -0.472 -3.909 1.00 1.05 H new ATOM 0 HB3 MET A 39 4.492 -2.121 -3.362 1.00 1.05 H new ATOM 0 HG2 MET A 39 2.177 -1.849 -5.152 1.00 1.11 H new ATOM 0 HG3 MET A 39 3.665 -1.305 -5.902 1.00 1.11 H new ATOM 0 HE1 MET A 39 5.915 -4.284 -6.141 1.00 1.33 H new ATOM 0 HE2 MET A 39 5.081 -3.286 -7.356 1.00 1.33 H new ATOM 0 HE3 MET A 39 5.778 -2.525 -5.906 1.00 1.33 H new ATOM 628 N VAL A 40 0.531 -2.078 -3.502 1.00 0.87 N ATOM 629 CA VAL A 40 -0.476 -3.084 -3.748 1.00 0.87 C ATOM 630 C VAL A 40 0.091 -4.041 -4.792 1.00 1.00 C ATOM 631 O VAL A 40 0.380 -3.651 -5.919 1.00 1.10 O ATOM 632 CB VAL A 40 -1.811 -2.458 -4.216 1.00 0.87 C ATOM 633 CG1 VAL A 40 -1.572 -1.228 -5.073 1.00 0.94 C ATOM 634 CG2 VAL A 40 -2.658 -3.472 -4.963 1.00 0.93 C ATOM 0 H VAL A 40 0.313 -1.158 -3.885 1.00 0.87 H new ATOM 0 HA VAL A 40 -0.708 -3.618 -2.827 1.00 0.87 H new ATOM 0 HB VAL A 40 -2.357 -2.148 -3.325 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -2.529 -0.811 -5.386 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.023 -0.484 -4.496 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.992 -1.505 -5.953 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -3.590 -3.004 -5.280 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -2.114 -3.826 -5.838 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -2.879 -4.315 -4.308 1.00 0.93 H new ATOM 644 N TRP A 41 0.270 -5.283 -4.397 1.00 1.00 N ATOM 645 CA TRP A 41 0.877 -6.286 -5.255 1.00 1.13 C ATOM 646 C TRP A 41 -0.105 -6.916 -6.231 1.00 1.19 C ATOM 647 O TRP A 41 0.259 -7.221 -7.363 1.00 1.30 O ATOM 648 CB TRP A 41 1.507 -7.370 -4.385 1.00 1.14 C ATOM 649 CG TRP A 41 2.229 -8.426 -5.160 1.00 1.32 C ATOM 650 CD1 TRP A 41 1.777 -9.679 -5.455 1.00 1.39 C ATOM 651 CD2 TRP A 41 3.538 -8.327 -5.730 1.00 1.46 C ATOM 652 NE1 TRP A 41 2.723 -10.361 -6.177 1.00 1.56 N ATOM 653 CE2 TRP A 41 3.813 -9.554 -6.360 1.00 1.61 C ATOM 654 CE3 TRP A 41 4.503 -7.317 -5.766 1.00 1.50 C ATOM 655 CZ2 TRP A 41 5.012 -9.795 -7.025 1.00 1.78 C ATOM 656 CZ3 TRP A 41 5.692 -7.557 -6.425 1.00 1.69 C ATOM 657 CH2 TRP A 41 5.937 -8.789 -7.047 1.00 1.82 C ATOM 0 H TRP A 41 0.001 -5.628 -3.476 1.00 1.00 H new ATOM 0 HA TRP A 41 1.632 -5.782 -5.858 1.00 1.13 H new ATOM 0 HB2 TRP A 41 2.204 -6.904 -3.689 1.00 1.14 H new ATOM 0 HB3 TRP A 41 0.727 -7.841 -3.787 1.00 1.14 H new ATOM 0 HD1 TRP A 41 0.816 -10.076 -5.163 1.00 1.39 H new ATOM 0 HE1 TRP A 41 2.629 -11.316 -6.522 1.00 1.56 H new ATOM 0 HE3 TRP A 41 4.322 -6.366 -5.287 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 5.204 -10.743 -7.506 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 6.445 -6.784 -6.462 1.00 1.69 H new ATOM 0 HH2 TRP A 41 6.877 -8.947 -7.555 1.00 1.82 H new ATOM 668 N HIS A 42 -1.340 -7.106 -5.813 1.00 1.12 N ATOM 669 CA HIS A 42 -2.324 -7.731 -6.680 1.00 1.19 C ATOM 670 C HIS A 42 -3.718 -7.256 -6.328 1.00 1.12 C ATOM 671 O HIS A 42 -4.009 -6.972 -5.169 1.00 1.01 O ATOM 672 CB HIS A 42 -2.236 -9.259 -6.547 1.00 1.23 C ATOM 673 CG HIS A 42 -2.968 -10.020 -7.612 1.00 1.31 C ATOM 674 ND1 HIS A 42 -4.283 -10.388 -7.459 1.00 1.33 N ATOM 675 CD2 HIS A 42 -2.521 -10.463 -8.811 1.00 1.40 C ATOM 676 CE1 HIS A 42 -4.605 -11.042 -8.564 1.00 1.42 C ATOM 677 NE2 HIS A 42 -3.568 -11.113 -9.410 1.00 1.46 N ATOM 0 H HIS A 42 -1.686 -6.841 -4.891 1.00 1.12 H new ATOM 0 HA HIS A 42 -2.114 -7.449 -7.712 1.00 1.19 H new ATOM 0 HB2 HIS A 42 -1.186 -9.553 -6.565 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -2.632 -9.550 -5.574 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -1.529 -10.330 -9.217 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -5.580 -11.465 -8.759 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -3.560 -11.564 -10.325 1.00 1.46 H new ATOM 685 N VAL A 43 -4.565 -7.152 -7.337 1.00 1.20 N ATOM 686 CA VAL A 43 -5.936 -6.725 -7.149 1.00 1.18 C ATOM 687 C VAL A 43 -6.869 -7.750 -7.774 1.00 1.24 C ATOM 688 O VAL A 43 -6.686 -8.135 -8.931 1.00 1.37 O ATOM 689 CB VAL A 43 -6.202 -5.335 -7.773 1.00 1.21 C ATOM 690 CG1 VAL A 43 -7.634 -4.897 -7.520 1.00 1.20 C ATOM 691 CG2 VAL A 43 -5.230 -4.298 -7.234 1.00 1.14 C ATOM 0 H VAL A 43 -4.321 -7.361 -8.305 1.00 1.20 H new ATOM 0 HA VAL A 43 -6.119 -6.645 -6.077 1.00 1.18 H new ATOM 0 HB VAL A 43 -6.049 -5.419 -8.849 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -7.799 -3.917 -7.967 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -8.319 -5.619 -7.964 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -7.813 -4.840 -6.446 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -5.440 -3.331 -7.690 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -5.342 -4.222 -6.152 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -4.209 -4.597 -7.473 1.00 1.14 H new ATOM 701 N GLU A 44 -7.844 -8.204 -6.998 1.00 1.17 N ATOM 702 CA GLU A 44 -8.805 -9.178 -7.450 1.00 1.23 C ATOM 703 C GLU A 44 -9.507 -8.707 -8.718 1.00 1.34 C ATOM 704 O GLU A 44 -9.955 -7.559 -8.803 1.00 1.35 O ATOM 705 CB GLU A 44 -9.815 -9.409 -6.337 1.00 1.16 C ATOM 706 CG GLU A 44 -9.214 -10.039 -5.091 1.00 1.11 C ATOM 707 CD GLU A 44 -8.556 -11.371 -5.368 1.00 1.19 C ATOM 708 OE1 GLU A 44 -9.271 -12.326 -5.738 1.00 1.17 O ATOM 709 OE2 GLU A 44 -7.322 -11.476 -5.215 1.00 1.54 O ATOM 0 H GLU A 44 -7.984 -7.900 -6.034 1.00 1.17 H new ATOM 0 HA GLU A 44 -8.293 -10.110 -7.689 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -10.271 -8.456 -6.068 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -10.613 -10.051 -6.710 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -8.479 -9.358 -4.663 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -9.996 -10.174 -4.344 1.00 1.11 H new ATOM 716 N ASP A 45 -9.595 -9.601 -9.697 1.00 1.44 N ATOM 717 CA ASP A 45 -10.228 -9.294 -10.974 1.00 1.55 C ATOM 718 C ASP A 45 -11.692 -8.933 -10.775 1.00 1.55 C ATOM 719 O ASP A 45 -12.524 -9.800 -10.510 1.00 1.60 O ATOM 720 CB ASP A 45 -10.107 -10.483 -11.934 1.00 1.69 C ATOM 721 CG ASP A 45 -8.682 -10.720 -12.389 1.00 1.81 C ATOM 722 OD1 ASP A 45 -8.242 -10.065 -13.355 1.00 1.94 O ATOM 723 OD2 ASP A 45 -7.991 -11.566 -11.785 1.00 1.92 O ATOM 0 H ASP A 45 -9.232 -10.552 -9.629 1.00 1.44 H new ATOM 0 HA ASP A 45 -9.714 -8.437 -11.409 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -10.482 -11.381 -11.444 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -10.739 -10.308 -12.805 1.00 1.69 H new ATOM 728 N GLY A 46 -11.996 -7.650 -10.900 1.00 1.54 N ATOM 729 CA GLY A 46 -13.355 -7.186 -10.720 1.00 1.56 C ATOM 730 C GLY A 46 -13.716 -7.025 -9.255 1.00 1.46 C ATOM 731 O GLY A 46 -14.893 -6.957 -8.903 1.00 1.49 O ATOM 0 H GLY A 46 -11.321 -6.919 -11.124 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -13.482 -6.231 -11.231 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -14.043 -7.891 -11.187 1.00 1.56 H new ATOM 735 N GLY A 47 -12.700 -6.975 -8.400 1.00 1.37 N ATOM 736 CA GLY A 47 -12.923 -6.823 -6.972 1.00 1.28 C ATOM 737 C GLY A 47 -13.253 -5.393 -6.595 1.00 1.27 C ATOM 738 O GLY A 47 -13.174 -4.505 -7.439 1.00 1.33 O ATOM 0 H GLY A 47 -11.719 -7.037 -8.672 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -13.738 -7.477 -6.661 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -12.033 -7.144 -6.430 1.00 1.28 H new ATOM 742 N PRO A 48 -13.570 -5.130 -5.317 1.00 1.20 N ATOM 743 CA PRO A 48 -13.932 -3.790 -4.835 1.00 1.20 C ATOM 744 C PRO A 48 -12.844 -2.786 -5.124 1.00 1.16 C ATOM 745 O PRO A 48 -13.095 -1.688 -5.617 1.00 1.21 O ATOM 746 CB PRO A 48 -14.067 -3.999 -3.330 1.00 1.13 C ATOM 747 CG PRO A 48 -14.422 -5.418 -3.201 1.00 1.13 C ATOM 748 CD PRO A 48 -13.572 -6.101 -4.215 1.00 1.13 C ATOM 0 HA PRO A 48 -14.830 -3.398 -5.312 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -13.137 -3.771 -2.810 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -14.836 -3.354 -2.905 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -14.220 -5.789 -2.196 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -15.482 -5.582 -3.394 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -12.567 -6.295 -3.841 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -13.990 -7.061 -4.518 1.00 1.13 H new ATOM 756 N ALA A 49 -11.631 -3.176 -4.797 1.00 1.09 N ATOM 757 CA ALA A 49 -10.473 -2.329 -5.034 1.00 1.06 C ATOM 758 C ALA A 49 -10.306 -2.052 -6.520 1.00 1.16 C ATOM 759 O ALA A 49 -9.954 -0.944 -6.918 1.00 1.19 O ATOM 760 CB ALA A 49 -9.214 -2.960 -4.462 1.00 0.97 C ATOM 0 H ALA A 49 -11.417 -4.075 -4.365 1.00 1.09 H new ATOM 0 HA ALA A 49 -10.638 -1.380 -4.524 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -8.362 -2.308 -4.652 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -9.332 -3.099 -3.387 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -9.044 -3.927 -4.936 1.00 0.97 H new ATOM 766 N SER A 50 -10.585 -3.061 -7.333 1.00 1.23 N ATOM 767 CA SER A 50 -10.489 -2.929 -8.775 1.00 1.34 C ATOM 768 C SER A 50 -11.521 -1.923 -9.258 1.00 1.40 C ATOM 769 O SER A 50 -11.259 -1.117 -10.153 1.00 1.46 O ATOM 770 CB SER A 50 -10.742 -4.282 -9.436 1.00 1.41 C ATOM 771 OG SER A 50 -9.999 -4.421 -10.633 1.00 1.45 O ATOM 0 H SER A 50 -10.881 -3.983 -7.014 1.00 1.23 H new ATOM 0 HA SER A 50 -9.490 -2.583 -9.041 1.00 1.34 H new ATOM 0 HB2 SER A 50 -10.474 -5.081 -8.745 1.00 1.41 H new ATOM 0 HB3 SER A 50 -11.805 -4.390 -9.652 1.00 1.41 H new ATOM 0 HG SER A 50 -10.054 -5.348 -10.946 1.00 1.45 H new ATOM 777 N GLU A 51 -12.686 -1.966 -8.624 1.00 1.39 N ATOM 778 CA GLU A 51 -13.787 -1.075 -8.960 1.00 1.46 C ATOM 779 C GLU A 51 -13.463 0.338 -8.519 1.00 1.45 C ATOM 780 O GLU A 51 -13.804 1.312 -9.187 1.00 1.55 O ATOM 781 CB GLU A 51 -15.077 -1.541 -8.284 1.00 1.47 C ATOM 782 CG GLU A 51 -15.432 -2.986 -8.573 1.00 1.50 C ATOM 783 CD GLU A 51 -16.776 -3.380 -7.993 1.00 1.58 C ATOM 784 OE1 GLU A 51 -16.903 -3.434 -6.751 1.00 1.55 O ATOM 785 OE2 GLU A 51 -17.715 -3.633 -8.776 1.00 1.84 O ATOM 0 H GLU A 51 -12.893 -2.617 -7.866 1.00 1.39 H new ATOM 0 HA GLU A 51 -13.929 -1.093 -10.041 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -14.979 -1.409 -7.206 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -15.898 -0.903 -8.610 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -15.444 -3.145 -9.651 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -14.659 -3.636 -8.164 1.00 1.50 H new ATOM 792 N ALA A 52 -12.794 0.426 -7.386 1.00 1.33 N ATOM 793 CA ALA A 52 -12.394 1.698 -6.818 1.00 1.31 C ATOM 794 C ALA A 52 -11.309 2.353 -7.662 1.00 1.34 C ATOM 795 O ALA A 52 -11.154 3.573 -7.646 1.00 1.36 O ATOM 796 CB ALA A 52 -11.919 1.485 -5.395 1.00 1.20 C ATOM 0 H ALA A 52 -12.512 -0.383 -6.833 1.00 1.33 H new ATOM 0 HA ALA A 52 -13.252 2.371 -6.810 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -11.617 2.440 -4.965 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -12.728 1.059 -4.801 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -11.069 0.802 -5.393 1.00 1.20 H new ATOM 802 N GLY A 53 -10.555 1.535 -8.390 1.00 1.35 N ATOM 803 CA GLY A 53 -9.509 2.059 -9.236 1.00 1.39 C ATOM 804 C GLY A 53 -8.107 1.682 -8.792 1.00 1.31 C ATOM 805 O GLY A 53 -7.129 2.160 -9.367 1.00 1.33 O ATOM 0 H GLY A 53 -10.653 0.520 -8.406 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -9.665 1.700 -10.253 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -9.590 3.146 -9.265 1.00 1.39 H new ATOM 809 N LEU A 54 -7.997 0.834 -7.779 1.00 1.22 N ATOM 810 CA LEU A 54 -6.694 0.415 -7.283 1.00 1.14 C ATOM 811 C LEU A 54 -6.019 -0.500 -8.287 1.00 1.21 C ATOM 812 O LEU A 54 -6.620 -1.447 -8.798 1.00 1.26 O ATOM 813 CB LEU A 54 -6.830 -0.308 -5.947 1.00 1.04 C ATOM 814 CG LEU A 54 -5.937 0.200 -4.812 1.00 0.94 C ATOM 815 CD1 LEU A 54 -5.705 -0.901 -3.795 1.00 0.85 C ATOM 816 CD2 LEU A 54 -4.611 0.710 -5.346 1.00 0.96 C ATOM 0 H LEU A 54 -8.791 0.424 -7.286 1.00 1.22 H new ATOM 0 HA LEU A 54 -6.085 1.307 -7.140 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -7.869 -0.239 -5.624 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -6.615 -1.365 -6.105 1.00 1.04 H new ATOM 0 HG LEU A 54 -6.447 1.031 -4.325 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -5.069 -0.527 -2.993 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -6.661 -1.221 -3.380 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -5.218 -1.747 -4.280 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -3.997 1.064 -4.518 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -4.092 -0.097 -5.863 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -4.790 1.530 -6.042 1.00 0.96 H new ATOM 828 N ARG A 55 -4.775 -0.199 -8.572 1.00 1.21 N ATOM 829 CA ARG A 55 -3.994 -0.975 -9.517 1.00 1.28 C ATOM 830 C ARG A 55 -2.735 -1.502 -8.849 1.00 1.23 C ATOM 831 O ARG A 55 -2.070 -0.785 -8.104 1.00 1.18 O ATOM 832 CB ARG A 55 -3.633 -0.107 -10.716 1.00 1.36 C ATOM 833 CG ARG A 55 -4.791 0.745 -11.200 1.00 1.41 C ATOM 834 CD ARG A 55 -5.838 -0.096 -11.909 1.00 1.51 C ATOM 835 NE ARG A 55 -7.020 0.686 -12.275 1.00 1.57 N ATOM 836 CZ ARG A 55 -8.275 0.293 -12.057 1.00 1.58 C ATOM 837 NH1 ARG A 55 -8.524 -0.851 -11.425 1.00 1.55 N ATOM 838 NH2 ARG A 55 -9.285 1.057 -12.449 1.00 1.68 N ATOM 0 H ARG A 55 -4.273 0.587 -8.159 1.00 1.21 H new ATOM 0 HA ARG A 55 -4.585 -1.825 -9.858 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -2.798 0.541 -10.450 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -3.293 -0.746 -11.531 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -5.246 1.258 -10.353 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -4.421 1.515 -11.877 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -5.402 -0.535 -12.807 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -6.136 -0.922 -11.263 1.00 1.51 H new ATOM 0 HE ARG A 55 -6.874 1.589 -12.726 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -7.752 -1.434 -11.103 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -9.487 -1.145 -11.262 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -9.101 1.945 -12.917 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -10.246 0.757 -12.283 1.00 1.68 H new ATOM 852 N GLN A 56 -2.417 -2.761 -9.102 1.00 1.29 N ATOM 853 CA GLN A 56 -1.237 -3.370 -8.507 1.00 1.27 C ATOM 854 C GLN A 56 0.035 -2.815 -9.131 1.00 1.33 C ATOM 855 O GLN A 56 0.103 -2.595 -10.341 1.00 1.41 O ATOM 856 CB GLN A 56 -1.252 -4.897 -8.626 1.00 1.34 C ATOM 857 CG GLN A 56 -2.325 -5.444 -9.533 1.00 1.40 C ATOM 858 CD GLN A 56 -2.075 -6.874 -9.973 1.00 1.53 C ATOM 859 OE1 GLN A 56 -3.009 -7.660 -10.099 1.00 1.56 O ATOM 860 NE2 GLN A 56 -0.822 -7.215 -10.230 1.00 1.78 N ATOM 0 H GLN A 56 -2.955 -3.378 -9.711 1.00 1.29 H new ATOM 0 HA GLN A 56 -1.255 -3.117 -7.447 1.00 1.27 H new ATOM 0 HB2 GLN A 56 -0.281 -5.230 -8.992 1.00 1.34 H new ATOM 0 HB3 GLN A 56 -1.382 -5.325 -7.632 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -3.285 -5.393 -9.019 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -2.402 -4.809 -10.416 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -0.073 -6.532 -10.113 1.00 1.78 H new ATOM 0 HE22 GLN A 56 -0.605 -8.161 -10.545 1.00 1.78 H new ATOM 869 N GLY A 57 1.032 -2.582 -8.294 1.00 1.30 N ATOM 870 CA GLY A 57 2.300 -2.063 -8.761 1.00 1.37 C ATOM 871 C GLY A 57 2.434 -0.561 -8.594 1.00 1.33 C ATOM 872 O GLY A 57 3.399 0.029 -9.075 1.00 1.39 O ATOM 0 H GLY A 57 0.985 -2.745 -7.288 1.00 1.30 H new ATOM 0 HA2 GLY A 57 3.107 -2.555 -8.219 1.00 1.37 H new ATOM 0 HA3 GLY A 57 2.422 -2.316 -9.814 1.00 1.37 H new ATOM 876 N ASP A 58 1.461 0.073 -7.949 1.00 1.24 N ATOM 877 CA ASP A 58 1.536 1.514 -7.708 1.00 1.21 C ATOM 878 C ASP A 58 2.261 1.765 -6.404 1.00 1.13 C ATOM 879 O ASP A 58 2.992 0.911 -5.914 1.00 1.13 O ATOM 880 CB ASP A 58 0.152 2.155 -7.617 1.00 1.16 C ATOM 881 CG ASP A 58 -0.622 2.107 -8.924 1.00 1.26 C ATOM 882 OD1 ASP A 58 0.014 2.020 -10.003 1.00 1.43 O ATOM 883 OD2 ASP A 58 -1.866 2.190 -8.884 1.00 1.29 O ATOM 0 H ASP A 58 0.621 -0.378 -7.587 1.00 1.24 H new ATOM 0 HA ASP A 58 2.067 1.958 -8.550 1.00 1.21 H new ATOM 0 HB2 ASP A 58 -0.425 1.649 -6.843 1.00 1.16 H new ATOM 0 HB3 ASP A 58 0.261 3.194 -7.305 1.00 1.16 H new ATOM 888 N LEU A 59 2.046 2.929 -5.834 1.00 1.06 N ATOM 889 CA LEU A 59 2.655 3.275 -4.585 1.00 0.99 C ATOM 890 C LEU A 59 1.628 3.925 -3.690 1.00 0.89 C ATOM 891 O LEU A 59 1.121 5.002 -3.993 1.00 0.90 O ATOM 892 CB LEU A 59 3.836 4.226 -4.781 1.00 1.05 C ATOM 893 CG LEU A 59 5.209 3.567 -4.838 1.00 1.13 C ATOM 894 CD1 LEU A 59 6.288 4.613 -5.076 1.00 1.19 C ATOM 895 CD2 LEU A 59 5.490 2.794 -3.556 1.00 1.06 C ATOM 0 H LEU A 59 1.446 3.654 -6.227 1.00 1.06 H new ATOM 0 HA LEU A 59 3.031 2.361 -4.126 1.00 0.99 H new ATOM 0 HB2 LEU A 59 3.681 4.783 -5.705 1.00 1.05 H new ATOM 0 HB3 LEU A 59 3.834 4.951 -3.967 1.00 1.05 H new ATOM 0 HG LEU A 59 5.217 2.862 -5.670 1.00 1.13 H new ATOM 0 HD11 LEU A 59 7.263 4.128 -5.114 1.00 1.19 H new ATOM 0 HD12 LEU A 59 6.099 5.122 -6.021 1.00 1.19 H new ATOM 0 HD13 LEU A 59 6.276 5.339 -4.263 1.00 1.19 H new ATOM 0 HD21 LEU A 59 6.475 2.332 -3.618 1.00 1.06 H new ATOM 0 HD22 LEU A 59 5.462 3.476 -2.706 1.00 1.06 H new ATOM 0 HD23 LEU A 59 4.734 2.020 -3.425 1.00 1.06 H new ATOM 907 N ILE A 60 1.279 3.255 -2.619 1.00 0.80 N ATOM 908 CA ILE A 60 0.326 3.813 -1.689 1.00 0.71 C ATOM 909 C ILE A 60 1.037 4.823 -0.794 1.00 0.68 C ATOM 910 O ILE A 60 1.853 4.452 0.052 1.00 0.66 O ATOM 911 CB ILE A 60 -0.346 2.725 -0.823 1.00 0.62 C ATOM 912 CG1 ILE A 60 -1.158 1.765 -1.700 1.00 0.67 C ATOM 913 CG2 ILE A 60 -1.228 3.361 0.241 1.00 0.54 C ATOM 914 CD1 ILE A 60 -1.505 0.465 -1.010 1.00 0.63 C ATOM 0 H ILE A 60 1.636 2.332 -2.370 1.00 0.80 H new ATOM 0 HA ILE A 60 -0.462 4.302 -2.263 1.00 0.71 H new ATOM 0 HB ILE A 60 0.434 2.151 -0.322 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -2.079 2.259 -2.010 1.00 0.67 H new ATOM 0 HG13 ILE A 60 -0.593 1.547 -2.606 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -1.694 2.580 0.842 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.621 3.999 0.883 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -2.002 3.960 -0.239 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -2.079 -0.165 -1.689 1.00 0.63 H new ATOM 0 HD12 ILE A 60 -0.588 -0.051 -0.724 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -2.098 0.673 -0.119 1.00 0.63 H new ATOM 926 N THR A 61 0.748 6.095 -1.000 1.00 0.70 N ATOM 927 CA THR A 61 1.384 7.146 -0.229 1.00 0.70 C ATOM 928 C THR A 61 0.608 7.460 1.053 1.00 0.61 C ATOM 929 O THR A 61 1.207 7.769 2.089 1.00 0.58 O ATOM 930 CB THR A 61 1.583 8.423 -1.087 1.00 0.80 C ATOM 931 OG1 THR A 61 2.049 9.510 -0.279 1.00 0.79 O ATOM 932 CG2 THR A 61 0.299 8.826 -1.798 1.00 0.86 C ATOM 0 H THR A 61 0.077 6.425 -1.694 1.00 0.70 H new ATOM 0 HA THR A 61 2.367 6.781 0.069 1.00 0.70 H new ATOM 0 HB THR A 61 2.334 8.190 -1.842 1.00 0.80 H new ATOM 0 HG1 THR A 61 2.170 10.305 -0.839 1.00 0.79 H new ATOM 0 HG21 THR A 61 0.477 9.724 -2.389 1.00 0.86 H new ATOM 0 HG22 THR A 61 -0.023 8.017 -2.454 1.00 0.86 H new ATOM 0 HG23 THR A 61 -0.478 9.025 -1.060 1.00 0.86 H new ATOM 940 N HIS A 62 -0.718 7.364 1.000 1.00 0.60 N ATOM 941 CA HIS A 62 -1.541 7.643 2.175 1.00 0.57 C ATOM 942 C HIS A 62 -2.730 6.700 2.246 1.00 0.55 C ATOM 943 O HIS A 62 -3.212 6.208 1.225 1.00 0.59 O ATOM 944 CB HIS A 62 -2.073 9.086 2.184 1.00 0.66 C ATOM 945 CG HIS A 62 -1.023 10.157 2.179 1.00 0.75 C ATOM 946 ND1 HIS A 62 -0.555 10.705 1.008 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.413 10.767 3.223 1.00 0.86 C ATOM 948 CE1 HIS A 62 0.320 11.630 1.365 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.437 11.700 2.696 1.00 0.95 N ATOM 0 H HIS A 62 -1.242 7.098 0.166 1.00 0.60 H new ATOM 0 HA HIS A 62 -0.891 7.498 3.038 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -2.714 9.225 1.313 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.700 9.219 3.066 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -0.568 10.557 4.271 1.00 0.86 H new ATOM 0 HE1 HIS A 62 0.869 12.249 0.671 1.00 0.91 H new ATOM 0 HE2 HIS A 62 1.045 12.330 3.219 1.00 0.95 H new ATOM 957 N VAL A 63 -3.191 6.456 3.460 1.00 0.51 N ATOM 958 CA VAL A 63 -4.345 5.605 3.701 1.00 0.50 C ATOM 959 C VAL A 63 -5.315 6.347 4.607 1.00 0.58 C ATOM 960 O VAL A 63 -4.970 6.682 5.735 1.00 0.59 O ATOM 961 CB VAL A 63 -3.953 4.269 4.367 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.194 3.498 4.790 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.093 3.425 3.436 1.00 0.38 C ATOM 0 H VAL A 63 -2.776 6.842 4.308 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.802 5.373 2.739 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.366 4.496 5.257 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.897 2.559 5.257 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.767 4.093 5.502 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.809 3.289 3.914 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.831 2.490 3.931 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.648 3.210 2.523 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.183 3.971 3.187 1.00 0.38 H new ATOM 973 N ASN A 64 -6.508 6.630 4.094 1.00 0.67 N ATOM 974 CA ASN A 64 -7.536 7.356 4.847 1.00 0.76 C ATOM 975 C ASN A 64 -7.054 8.769 5.163 1.00 0.81 C ATOM 976 O ASN A 64 -7.552 9.427 6.081 1.00 0.90 O ATOM 977 CB ASN A 64 -7.911 6.617 6.141 1.00 0.77 C ATOM 978 CG ASN A 64 -8.571 5.282 5.885 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.343 5.124 4.938 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.265 4.310 6.727 1.00 0.70 N ATOM 0 H ASN A 64 -6.793 6.366 3.151 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.431 7.414 4.227 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -7.013 6.464 6.739 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.583 7.242 6.729 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.673 3.383 6.606 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.620 4.487 7.497 1.00 0.70 H new ATOM 987 N GLY A 65 -6.085 9.230 4.379 1.00 0.78 N ATOM 988 CA GLY A 65 -5.528 10.553 4.567 1.00 0.83 C ATOM 989 C GLY A 65 -4.431 10.582 5.613 1.00 0.81 C ATOM 990 O GLY A 65 -4.097 11.640 6.144 1.00 0.90 O ATOM 0 H GLY A 65 -5.673 8.703 3.609 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -5.130 10.913 3.619 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -6.323 11.239 4.860 1.00 0.83 H new ATOM 994 N GLU A 66 -3.860 9.419 5.902 1.00 0.71 N ATOM 995 CA GLU A 66 -2.806 9.309 6.898 1.00 0.71 C ATOM 996 C GLU A 66 -1.482 8.936 6.238 1.00 0.66 C ATOM 997 O GLU A 66 -1.446 8.036 5.395 1.00 0.58 O ATOM 998 CB GLU A 66 -3.168 8.234 7.922 1.00 0.70 C ATOM 999 CG GLU A 66 -4.614 8.265 8.386 1.00 0.77 C ATOM 1000 CD GLU A 66 -4.841 9.173 9.574 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -4.074 10.140 9.753 1.00 1.30 O ATOM 1002 OE2 GLU A 66 -5.795 8.921 10.339 1.00 1.36 O ATOM 0 H GLU A 66 -4.112 8.536 5.457 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.702 10.274 7.393 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.959 7.255 7.491 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.519 8.345 8.791 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -5.246 8.593 7.561 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.927 7.254 8.645 1.00 0.77 H new ATOM 1009 N PRO A 67 -0.385 9.629 6.589 1.00 0.73 N ATOM 1010 CA PRO A 67 0.939 9.333 6.041 1.00 0.72 C ATOM 1011 C PRO A 67 1.436 7.979 6.525 1.00 0.64 C ATOM 1012 O PRO A 67 1.674 7.783 7.719 1.00 0.72 O ATOM 1013 CB PRO A 67 1.835 10.452 6.580 1.00 0.84 C ATOM 1014 CG PRO A 67 0.903 11.487 7.115 1.00 0.90 C ATOM 1015 CD PRO A 67 -0.340 10.759 7.526 1.00 0.84 C ATOM 0 HA PRO A 67 0.932 9.288 4.952 1.00 0.72 H new ATOM 0 HB2 PRO A 67 2.499 10.081 7.361 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.467 10.862 5.792 1.00 0.84 H new ATOM 0 HG2 PRO A 67 1.347 12.009 7.963 1.00 0.90 H new ATOM 0 HG3 PRO A 67 0.681 12.239 6.358 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -0.287 10.423 8.562 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -1.225 11.390 7.440 1.00 0.84 H new ATOM 1023 N VAL A 68 1.575 7.048 5.601 1.00 0.53 N ATOM 1024 CA VAL A 68 2.023 5.705 5.938 1.00 0.48 C ATOM 1025 C VAL A 68 3.508 5.511 5.668 1.00 0.56 C ATOM 1026 O VAL A 68 4.074 4.474 6.011 1.00 0.60 O ATOM 1027 CB VAL A 68 1.226 4.640 5.168 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.253 4.734 5.503 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.447 4.766 3.665 1.00 0.52 C ATOM 0 H VAL A 68 1.385 7.194 4.610 1.00 0.53 H new ATOM 0 HA VAL A 68 1.847 5.585 7.007 1.00 0.48 H new ATOM 0 HB VAL A 68 1.589 3.660 5.478 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.801 3.972 4.948 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.395 4.577 6.572 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.626 5.721 5.229 1.00 0.40 H new ATOM 0 HG21 VAL A 68 0.871 4.000 3.147 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.123 5.752 3.331 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.506 4.637 3.441 1.00 0.52 H new ATOM 1039 N HIS A 69 4.139 6.510 5.068 1.00 0.62 N ATOM 1040 CA HIS A 69 5.559 6.425 4.763 1.00 0.73 C ATOM 1041 C HIS A 69 6.367 6.579 6.043 1.00 0.77 C ATOM 1042 O HIS A 69 6.566 7.691 6.532 1.00 0.84 O ATOM 1043 CB HIS A 69 5.959 7.496 3.740 1.00 0.82 C ATOM 1044 CG HIS A 69 7.326 7.302 3.149 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.501 7.105 1.798 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.536 7.292 3.756 1.00 1.09 C ATOM 1047 CE1 HIS A 69 8.805 6.982 1.618 1.00 1.37 C ATOM 1048 NE2 HIS A 69 9.470 7.089 2.776 1.00 1.17 N ATOM 0 H HIS A 69 3.694 7.383 4.785 1.00 0.62 H new ATOM 0 HA HIS A 69 5.769 5.449 4.326 1.00 0.73 H new ATOM 0 HB2 HIS A 69 5.225 7.505 2.934 1.00 0.82 H new ATOM 0 HB3 HIS A 69 5.918 8.474 4.220 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.728 7.420 4.811 1.00 1.09 H new ATOM 0 HE1 HIS A 69 9.274 6.816 0.660 1.00 1.37 H new ATOM 0 HE2 HIS A 69 10.480 7.030 2.903 1.00 1.17 H new ATOM 1056 N GLY A 70 6.803 5.457 6.586 1.00 0.80 N ATOM 1057 CA GLY A 70 7.580 5.471 7.800 1.00 0.89 C ATOM 1058 C GLY A 70 7.147 4.390 8.764 1.00 0.86 C ATOM 1059 O GLY A 70 7.956 3.892 9.551 1.00 0.98 O ATOM 0 H GLY A 70 6.630 4.528 6.202 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.634 5.338 7.557 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.484 6.445 8.280 1.00 0.89 H new ATOM 1063 N LEU A 71 5.871 4.017 8.707 1.00 0.74 N ATOM 1064 CA LEU A 71 5.349 2.985 9.591 1.00 0.72 C ATOM 1065 C LEU A 71 5.739 1.602 9.110 1.00 0.73 C ATOM 1066 O LEU A 71 6.377 1.434 8.067 1.00 0.82 O ATOM 1067 CB LEU A 71 3.825 3.014 9.657 1.00 0.67 C ATOM 1068 CG LEU A 71 3.162 4.371 9.575 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.678 4.188 9.346 1.00 0.47 C ATOM 1070 CD2 LEU A 71 3.425 5.193 10.831 1.00 0.83 C ATOM 0 H LEU A 71 5.186 4.412 8.062 1.00 0.74 H new ATOM 0 HA LEU A 71 5.775 3.191 10.573 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.439 2.398 8.845 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.517 2.542 10.590 1.00 0.67 H new ATOM 0 HG LEU A 71 3.589 4.923 8.737 1.00 0.57 H new ATOM 0 HD11 LEU A 71 1.196 5.164 9.286 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.518 3.646 8.414 1.00 0.47 H new ATOM 0 HD13 LEU A 71 1.249 3.622 10.173 1.00 0.47 H new ATOM 0 HD21 LEU A 71 2.935 6.163 10.741 1.00 0.83 H new ATOM 0 HD22 LEU A 71 3.030 4.666 11.700 1.00 0.83 H new ATOM 0 HD23 LEU A 71 4.498 5.339 10.952 1.00 0.83 H new ATOM 1082 N VAL A 72 5.342 0.616 9.891 1.00 0.68 N ATOM 1083 CA VAL A 72 5.573 -0.769 9.553 1.00 0.68 C ATOM 1084 C VAL A 72 4.491 -1.228 8.593 1.00 0.59 C ATOM 1085 O VAL A 72 3.511 -0.512 8.367 1.00 0.52 O ATOM 1086 CB VAL A 72 5.538 -1.674 10.796 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.741 -1.418 11.688 1.00 0.82 C ATOM 1088 CG2 VAL A 72 4.237 -1.464 11.558 1.00 0.69 C ATOM 0 H VAL A 72 4.852 0.755 10.775 1.00 0.68 H new ATOM 0 HA VAL A 72 6.562 -0.844 9.101 1.00 0.68 H new ATOM 0 HB VAL A 72 5.585 -2.714 10.471 1.00 0.72 H new ATOM 0 HG11 VAL A 72 6.693 -2.070 12.560 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.656 -1.622 11.132 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.738 -0.377 12.013 1.00 0.82 H new ATOM 0 HG21 VAL A 72 4.222 -2.109 12.436 1.00 0.69 H new ATOM 0 HG22 VAL A 72 4.163 -0.423 11.871 1.00 0.69 H new ATOM 0 HG23 VAL A 72 3.394 -1.710 10.913 1.00 0.69 H new ATOM 1098 N HIS A 73 4.651 -2.417 8.046 1.00 0.60 N ATOM 1099 CA HIS A 73 3.674 -2.962 7.120 1.00 0.53 C ATOM 1100 C HIS A 73 2.310 -3.102 7.790 1.00 0.44 C ATOM 1101 O HIS A 73 1.280 -2.801 7.196 1.00 0.36 O ATOM 1102 CB HIS A 73 4.150 -4.319 6.605 1.00 0.60 C ATOM 1103 CG HIS A 73 3.240 -4.943 5.591 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.908 -4.366 4.384 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.594 -6.134 5.626 1.00 0.58 C ATOM 1106 CE1 HIS A 73 2.094 -5.208 3.738 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.872 -6.296 4.449 1.00 0.58 N ATOM 0 H HIS A 73 5.449 -3.026 8.226 1.00 0.60 H new ATOM 0 HA HIS A 73 3.571 -2.275 6.280 1.00 0.53 H new ATOM 0 HB2 HIS A 73 5.140 -4.201 6.165 1.00 0.60 H new ATOM 0 HB3 HIS A 73 4.256 -4.999 7.450 1.00 0.60 H new ATOM 0 HD1 HIS A 73 3.226 -3.459 4.044 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.634 -6.844 6.439 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.673 -5.021 2.761 1.00 0.58 H new ATOM 1115 N THR A 74 2.314 -3.532 9.038 1.00 0.48 N ATOM 1116 CA THR A 74 1.079 -3.732 9.776 1.00 0.44 C ATOM 1117 C THR A 74 0.393 -2.420 10.159 1.00 0.41 C ATOM 1118 O THR A 74 -0.829 -2.367 10.182 1.00 0.39 O ATOM 1119 CB THR A 74 1.331 -4.587 11.029 1.00 0.52 C ATOM 1120 OG1 THR A 74 2.527 -4.151 11.690 1.00 0.57 O ATOM 1121 CG2 THR A 74 1.465 -6.053 10.646 1.00 0.57 C ATOM 0 H THR A 74 3.160 -3.750 9.564 1.00 0.48 H new ATOM 0 HA THR A 74 0.400 -4.260 9.107 1.00 0.44 H new ATOM 0 HB THR A 74 0.484 -4.471 11.706 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.679 -4.700 12.488 1.00 0.57 H new ATOM 0 HG21 THR A 74 1.643 -6.648 11.542 1.00 0.57 H new ATOM 0 HG22 THR A 74 0.547 -6.389 10.164 1.00 0.57 H new ATOM 0 HG23 THR A 74 2.301 -6.174 9.957 1.00 0.57 H new ATOM 1129 N GLU A 75 1.156 -1.359 10.429 1.00 0.45 N ATOM 1130 CA GLU A 75 0.553 -0.087 10.804 1.00 0.46 C ATOM 1131 C GLU A 75 -0.382 0.395 9.714 1.00 0.37 C ATOM 1132 O GLU A 75 -1.505 0.828 9.977 1.00 0.38 O ATOM 1133 CB GLU A 75 1.604 0.985 11.079 1.00 0.53 C ATOM 1134 CG GLU A 75 2.208 0.889 12.463 1.00 0.66 C ATOM 1135 CD GLU A 75 1.318 1.522 13.507 1.00 0.74 C ATOM 1136 OE1 GLU A 75 1.382 2.755 13.680 1.00 0.80 O ATOM 1137 OE2 GLU A 75 0.539 0.790 14.152 1.00 0.88 O ATOM 0 H GLU A 75 2.175 -1.357 10.395 1.00 0.45 H new ATOM 0 HA GLU A 75 -0.007 -0.257 11.724 1.00 0.46 H new ATOM 0 HB2 GLU A 75 2.398 0.904 10.337 1.00 0.53 H new ATOM 0 HB3 GLU A 75 1.151 1.969 10.955 1.00 0.53 H new ATOM 0 HG2 GLU A 75 2.376 -0.158 12.715 1.00 0.66 H new ATOM 0 HG3 GLU A 75 3.182 1.379 12.470 1.00 0.66 H new ATOM 1144 N VAL A 76 0.090 0.295 8.487 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.697 0.713 7.342 1.00 0.25 C ATOM 1146 C VAL A 76 -1.839 -0.276 7.101 1.00 0.20 C ATOM 1147 O VAL A 76 -2.935 0.120 6.712 1.00 0.21 O ATOM 1148 CB VAL A 76 0.185 0.882 6.082 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.501 1.538 6.462 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.440 -0.442 5.381 1.00 0.28 C ATOM 0 H VAL A 76 1.014 -0.072 8.257 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.130 1.690 7.558 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.354 1.519 5.381 1.00 0.26 H new ATOM 0 HG11 VAL A 76 2.119 1.655 5.572 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.306 2.517 6.900 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.023 0.913 7.187 1.00 0.37 H new ATOM 0 HG21 VAL A 76 1.063 -0.274 4.503 1.00 0.28 H new ATOM 0 HG22 VAL A 76 0.950 -1.123 6.063 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.510 -0.880 5.074 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.579 -1.557 7.371 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.583 -2.604 7.215 1.00 0.20 C ATOM 1162 C VAL A 77 -3.752 -2.331 8.154 1.00 0.26 C ATOM 1163 O VAL A 77 -4.917 -2.358 7.745 1.00 0.29 O ATOM 1164 CB VAL A 77 -1.975 -3.998 7.496 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.040 -5.026 7.841 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.153 -4.467 6.306 1.00 0.28 C ATOM 0 H VAL A 77 -0.674 -1.893 7.701 1.00 0.21 H new ATOM 0 HA VAL A 77 -2.941 -2.599 6.185 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.324 -3.900 8.364 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -2.568 -5.990 8.031 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -3.580 -4.705 8.732 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -3.737 -5.121 7.008 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -0.732 -5.449 6.519 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -1.791 -4.529 5.425 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.346 -3.759 6.120 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.422 -2.059 9.410 1.00 0.33 N ATOM 1177 CA GLU A 78 -4.417 -1.732 10.417 1.00 0.43 C ATOM 1178 C GLU A 78 -5.188 -0.523 9.979 1.00 0.45 C ATOM 1179 O GLU A 78 -6.411 -0.509 9.995 1.00 0.51 O ATOM 1180 CB GLU A 78 -3.752 -1.429 11.736 1.00 0.52 C ATOM 1181 CG GLU A 78 -2.913 -2.566 12.246 1.00 0.58 C ATOM 1182 CD GLU A 78 -2.299 -2.300 13.606 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -2.761 -1.377 14.305 1.00 1.32 O ATOM 1184 OE2 GLU A 78 -1.348 -3.017 13.985 1.00 1.12 O ATOM 0 H GLU A 78 -2.462 -2.059 9.756 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.084 -2.585 10.538 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -3.126 -0.544 11.626 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -4.516 -1.189 12.475 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -3.528 -3.464 12.303 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -2.117 -2.770 11.530 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.430 0.495 9.620 1.00 0.42 N ATOM 1192 CA LEU A 79 -4.982 1.755 9.122 1.00 0.47 C ATOM 1193 C LEU A 79 -6.109 1.479 8.130 1.00 0.48 C ATOM 1194 O LEU A 79 -7.230 1.964 8.298 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.889 2.581 8.448 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.780 4.025 8.916 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -3.158 4.097 10.302 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.965 4.822 7.921 1.00 0.46 C ATOM 0 H LEU A 79 -3.411 0.479 9.663 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.381 2.318 9.966 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.931 2.089 8.615 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -4.066 2.578 7.372 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.781 4.453 8.977 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -3.090 5.138 10.617 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -3.778 3.545 11.008 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -2.160 3.660 10.276 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.888 5.856 8.258 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.967 4.392 7.841 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.452 4.794 6.946 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.793 0.710 7.085 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.769 0.310 6.095 1.00 0.45 C ATOM 1212 C ILE A 80 -7.960 -0.366 6.756 1.00 0.52 C ATOM 1213 O ILE A 80 -9.100 0.026 6.546 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.121 -0.666 5.115 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -4.975 0.033 4.409 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.144 -1.207 4.135 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -3.880 -0.905 3.997 1.00 0.27 C ATOM 0 H ILE A 80 -4.853 0.353 6.911 1.00 0.40 H new ATOM 0 HA ILE A 80 -7.117 1.199 5.569 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.725 -1.524 5.658 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.358 0.545 3.526 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.562 0.797 5.067 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.658 -1.900 3.448 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -7.930 -1.729 4.681 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.580 -0.382 3.571 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -3.090 -0.345 3.497 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.473 -1.399 4.879 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.281 -1.654 3.314 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.675 -1.390 7.543 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.705 -2.136 8.264 1.00 0.56 C ATOM 1231 C LEU A 81 -9.621 -1.219 9.093 1.00 0.68 C ATOM 1232 O LEU A 81 -10.840 -1.406 9.123 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.042 -3.170 9.182 1.00 0.52 C ATOM 1234 CG LEU A 81 -7.366 -4.344 8.469 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -6.559 -5.169 9.458 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -8.399 -5.216 7.767 1.00 0.68 C ATOM 0 H LEU A 81 -6.727 -1.731 7.703 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.329 -2.634 7.522 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.298 -2.662 9.795 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -8.798 -3.566 9.861 1.00 0.52 H new ATOM 0 HG LEU A 81 -6.689 -3.943 7.715 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.084 -6.000 8.936 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -5.793 -4.542 9.915 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -7.220 -5.557 10.233 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -7.897 -6.044 7.267 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.103 -5.609 8.501 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -8.938 -4.620 7.030 1.00 0.68 H new ATOM 1248 N LYS A 82 -9.031 -0.231 9.761 1.00 0.68 N ATOM 1249 CA LYS A 82 -9.774 0.696 10.613 1.00 0.80 C ATOM 1250 C LYS A 82 -10.599 1.740 9.853 1.00 0.87 C ATOM 1251 O LYS A 82 -11.339 2.503 10.483 1.00 1.00 O ATOM 1252 CB LYS A 82 -8.811 1.389 11.561 1.00 0.77 C ATOM 1253 CG LYS A 82 -8.028 0.391 12.372 1.00 0.75 C ATOM 1254 CD LYS A 82 -7.229 1.050 13.484 1.00 0.77 C ATOM 1255 CE LYS A 82 -5.880 1.558 12.991 1.00 0.78 C ATOM 1256 NZ LYS A 82 -4.941 1.811 14.113 1.00 0.88 N ATOM 0 H LYS A 82 -8.028 -0.050 9.728 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.499 0.092 11.158 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -8.125 2.016 10.992 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -9.366 2.048 12.229 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -8.712 -0.340 12.803 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -7.351 -0.155 11.716 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -7.800 1.881 13.898 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -7.074 0.335 14.292 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -5.444 0.827 12.310 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -6.023 2.477 12.423 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -4.035 2.155 13.736 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -5.346 2.527 14.750 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -4.784 0.928 14.640 1.00 0.88 H new ATOM 1270 N SER A 83 -10.462 1.795 8.528 1.00 0.82 N ATOM 1271 CA SER A 83 -11.212 2.748 7.706 1.00 0.90 C ATOM 1272 C SER A 83 -12.700 2.766 8.066 1.00 1.02 C ATOM 1273 O SER A 83 -13.214 3.768 8.568 1.00 1.08 O ATOM 1274 CB SER A 83 -11.043 2.407 6.227 1.00 0.85 C ATOM 1275 OG SER A 83 -11.384 1.053 5.970 1.00 0.78 O ATOM 0 H SER A 83 -9.836 1.188 7.998 1.00 0.82 H new ATOM 0 HA SER A 83 -10.809 3.741 7.904 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.672 3.064 5.626 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.012 2.589 5.925 1.00 0.85 H new ATOM 0 HG SER A 83 -10.778 0.463 6.465 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.385 1.660 7.803 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.797 1.568 8.114 1.00 1.18 C ATOM 1283 C GLY A 84 -15.672 1.695 6.885 1.00 1.22 C ATOM 1284 O GLY A 84 -15.902 2.802 6.397 1.00 1.29 O ATOM 0 H GLY A 84 -12.985 0.823 7.378 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -14.997 0.614 8.601 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -15.060 2.350 8.826 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.132 0.552 6.376 1.00 1.19 N ATOM 1289 CA ASN A 85 -17.005 0.487 5.194 1.00 1.25 C ATOM 1290 C ASN A 85 -16.245 0.778 3.895 1.00 1.19 C ATOM 1291 O ASN A 85 -16.457 0.100 2.890 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.234 1.405 5.369 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.644 2.151 4.106 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.229 3.285 3.877 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.482 1.529 3.295 1.00 1.50 N ATOM 0 H ASN A 85 -15.911 -0.362 6.771 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.368 -0.537 5.108 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -19.076 0.804 5.711 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -18.021 2.132 6.153 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -19.806 1.990 2.445 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.804 0.588 3.519 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.367 1.765 3.913 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.568 2.101 2.766 1.00 1.10 C ATOM 1304 C LYS A 86 -13.287 2.735 3.215 1.00 1.02 C ATOM 1305 O LYS A 86 -13.201 3.306 4.305 1.00 1.04 O ATOM 1306 CB LYS A 86 -15.283 3.033 1.817 1.00 1.19 C ATOM 1307 CG LYS A 86 -15.631 4.365 2.425 1.00 1.28 C ATOM 1308 CD LYS A 86 -16.762 5.024 1.671 1.00 1.38 C ATOM 1309 CE LYS A 86 -16.859 6.507 1.979 1.00 1.44 C ATOM 1310 NZ LYS A 86 -17.891 7.178 1.148 1.00 1.58 N ATOM 0 H LYS A 86 -15.194 2.352 4.729 1.00 1.14 H new ATOM 0 HA LYS A 86 -14.368 1.175 2.227 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -14.656 3.196 0.941 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -16.197 2.552 1.469 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -15.915 4.230 3.469 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -14.755 5.014 2.414 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -16.614 4.885 0.600 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -17.703 4.537 1.929 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -17.097 6.644 3.034 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -15.891 6.978 1.806 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -17.926 8.189 1.388 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -17.651 7.069 0.142 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -18.819 6.746 1.331 1.00 1.58 H new ATOM 1324 N VAL A 87 -12.313 2.643 2.364 1.00 0.95 N ATOM 1325 CA VAL A 87 -11.002 3.177 2.648 1.00 0.87 C ATOM 1326 C VAL A 87 -10.469 3.988 1.475 1.00 0.88 C ATOM 1327 O VAL A 87 -10.551 3.563 0.324 1.00 0.91 O ATOM 1328 CB VAL A 87 -10.034 2.031 3.001 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -10.034 0.976 1.907 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.626 2.551 3.256 1.00 0.68 C ATOM 0 H VAL A 87 -12.396 2.197 1.451 1.00 0.95 H new ATOM 0 HA VAL A 87 -11.083 3.849 3.502 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.384 1.569 3.924 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -9.345 0.175 2.174 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.039 0.568 1.795 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -9.719 1.427 0.966 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -7.969 1.717 3.502 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -8.256 3.053 2.362 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.644 3.256 4.087 1.00 0.68 H new ATOM 1340 N ALA A 88 -9.955 5.172 1.775 1.00 0.87 N ATOM 1341 CA ALA A 88 -9.395 6.037 0.754 1.00 0.89 C ATOM 1342 C ALA A 88 -7.904 5.803 0.664 1.00 0.80 C ATOM 1343 O ALA A 88 -7.149 6.148 1.568 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.689 7.495 1.040 1.00 0.96 C ATOM 0 H ALA A 88 -9.915 5.554 2.720 1.00 0.87 H new ATOM 0 HA ALA A 88 -9.861 5.794 -0.201 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -9.255 8.114 0.255 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.768 7.650 1.069 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.256 7.772 2.001 1.00 0.96 H new ATOM 1350 N ILE A 89 -7.487 5.211 -0.425 1.00 0.79 N ATOM 1351 CA ILE A 89 -6.084 4.899 -0.621 1.00 0.72 C ATOM 1352 C ILE A 89 -5.453 5.809 -1.664 1.00 0.78 C ATOM 1353 O ILE A 89 -5.762 5.717 -2.849 1.00 0.86 O ATOM 1354 CB ILE A 89 -5.894 3.432 -1.046 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -6.684 2.497 -0.120 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -4.428 3.078 -1.048 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -6.052 1.136 0.100 1.00 0.60 C ATOM 0 H ILE A 89 -8.096 4.932 -1.195 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.588 5.061 0.336 1.00 0.72 H new ATOM 0 HB ILE A 89 -6.279 3.306 -2.058 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -6.807 2.985 0.847 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -7.682 2.356 -0.535 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -4.305 2.038 -1.350 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -3.899 3.724 -1.748 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -4.019 3.216 -0.047 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -6.681 0.546 0.767 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -5.954 0.621 -0.856 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -5.066 1.261 0.547 1.00 0.60 H new ATOM 1369 N SER A 90 -4.568 6.681 -1.219 1.00 0.75 N ATOM 1370 CA SER A 90 -3.889 7.605 -2.109 1.00 0.81 C ATOM 1371 C SER A 90 -2.792 6.873 -2.875 1.00 0.82 C ATOM 1372 O SER A 90 -1.821 6.397 -2.282 1.00 0.77 O ATOM 1373 CB SER A 90 -3.306 8.758 -1.296 1.00 0.79 C ATOM 1374 OG SER A 90 -4.223 9.180 -0.298 1.00 0.82 O ATOM 0 H SER A 90 -4.301 6.769 -0.239 1.00 0.75 H new ATOM 0 HA SER A 90 -4.599 8.010 -2.830 1.00 0.81 H new ATOM 0 HB2 SER A 90 -2.372 8.445 -0.830 1.00 0.79 H new ATOM 0 HB3 SER A 90 -3.069 9.592 -1.956 1.00 0.79 H new ATOM 0 HG SER A 90 -4.096 10.135 -0.120 1.00 0.82 H new ATOM 1380 N THR A 91 -2.955 6.776 -4.183 1.00 0.91 N ATOM 1381 CA THR A 91 -1.998 6.076 -5.017 1.00 0.95 C ATOM 1382 C THR A 91 -1.129 7.041 -5.813 1.00 1.04 C ATOM 1383 O THR A 91 -1.393 8.243 -5.865 1.00 1.09 O ATOM 1384 CB THR A 91 -2.718 5.122 -5.988 1.00 1.02 C ATOM 1385 OG1 THR A 91 -4.003 5.658 -6.328 1.00 1.06 O ATOM 1386 CG2 THR A 91 -2.892 3.743 -5.372 1.00 0.97 C ATOM 0 H THR A 91 -3.745 7.175 -4.690 1.00 0.91 H new ATOM 0 HA THR A 91 -1.355 5.502 -4.350 1.00 0.95 H new ATOM 0 HB THR A 91 -2.107 5.025 -6.886 1.00 1.02 H new ATOM 0 HG1 THR A 91 -4.458 5.050 -6.947 1.00 1.06 H new ATOM 0 HG21 THR A 91 -3.403 3.090 -6.080 1.00 0.97 H new ATOM 0 HG22 THR A 91 -1.914 3.325 -5.134 1.00 0.97 H new ATOM 0 HG23 THR A 91 -3.484 3.824 -4.460 1.00 0.97 H new ATOM 1394 N THR A 92 -0.094 6.489 -6.423 1.00 1.10 N ATOM 1395 CA THR A 92 0.848 7.242 -7.227 1.00 1.19 C ATOM 1396 C THR A 92 1.795 6.246 -7.902 1.00 1.24 C ATOM 1397 O THR A 92 1.999 5.154 -7.374 1.00 1.20 O ATOM 1398 CB THR A 92 1.625 8.261 -6.353 1.00 1.16 C ATOM 1399 OG1 THR A 92 2.572 8.999 -7.135 1.00 1.24 O ATOM 1400 CG2 THR A 92 2.340 7.570 -5.199 1.00 1.08 C ATOM 0 H THR A 92 0.117 5.492 -6.372 1.00 1.10 H new ATOM 0 HA THR A 92 0.321 7.818 -7.988 1.00 1.19 H new ATOM 0 HB THR A 92 0.891 8.955 -5.943 1.00 1.16 H new ATOM 0 HG1 THR A 92 3.046 9.635 -6.560 1.00 1.24 H new ATOM 0 HG21 THR A 92 2.875 8.312 -4.606 1.00 1.08 H new ATOM 0 HG22 THR A 92 1.609 7.061 -4.570 1.00 1.08 H new ATOM 0 HG23 THR A 92 3.048 6.842 -5.594 1.00 1.08 H new ATOM 1408 N PRO A 93 2.330 6.564 -9.097 1.00 1.35 N ATOM 1409 CA PRO A 93 3.245 5.669 -9.828 1.00 1.42 C ATOM 1410 C PRO A 93 4.409 5.155 -8.991 1.00 1.38 C ATOM 1411 O PRO A 93 4.891 5.830 -8.078 1.00 1.33 O ATOM 1412 CB PRO A 93 3.796 6.553 -10.939 1.00 1.52 C ATOM 1413 CG PRO A 93 2.725 7.553 -11.188 1.00 1.52 C ATOM 1414 CD PRO A 93 2.065 7.801 -9.855 1.00 1.42 C ATOM 0 HA PRO A 93 2.715 4.776 -10.160 1.00 1.42 H new ATOM 0 HB2 PRO A 93 4.726 7.035 -10.638 1.00 1.52 H new ATOM 0 HB3 PRO A 93 4.013 5.973 -11.836 1.00 1.52 H new ATOM 0 HG2 PRO A 93 3.140 8.475 -11.595 1.00 1.52 H new ATOM 0 HG3 PRO A 93 2.005 7.179 -11.916 1.00 1.52 H new ATOM 0 HD2 PRO A 93 2.486 8.674 -9.356 1.00 1.42 H new ATOM 0 HD3 PRO A 93 0.996 7.982 -9.965 1.00 1.42 H new ATOM 1422 N LEU A 94 4.867 3.965 -9.334 1.00 1.42 N ATOM 1423 CA LEU A 94 5.995 3.345 -8.658 1.00 1.41 C ATOM 1424 C LEU A 94 7.195 3.384 -9.590 1.00 1.50 C ATOM 1425 O LEU A 94 7.564 2.387 -10.211 1.00 1.53 O ATOM 1426 CB LEU A 94 5.675 1.901 -8.240 1.00 1.39 C ATOM 1427 CG LEU A 94 6.888 1.042 -7.839 1.00 1.43 C ATOM 1428 CD1 LEU A 94 7.391 1.407 -6.453 1.00 1.38 C ATOM 1429 CD2 LEU A 94 6.549 -0.438 -7.913 1.00 1.46 C ATOM 0 H LEU A 94 4.470 3.402 -10.086 1.00 1.42 H new ATOM 0 HA LEU A 94 6.215 3.897 -7.744 1.00 1.41 H new ATOM 0 HB2 LEU A 94 4.979 1.930 -7.401 1.00 1.39 H new ATOM 0 HB3 LEU A 94 5.160 1.408 -9.065 1.00 1.39 H new ATOM 0 HG LEU A 94 7.688 1.248 -8.549 1.00 1.43 H new ATOM 0 HD11 LEU A 94 8.248 0.782 -6.201 1.00 1.38 H new ATOM 0 HD12 LEU A 94 7.690 2.455 -6.439 1.00 1.38 H new ATOM 0 HD13 LEU A 94 6.597 1.246 -5.724 1.00 1.38 H new ATOM 0 HD21 LEU A 94 7.421 -1.026 -7.625 1.00 1.46 H new ATOM 0 HD22 LEU A 94 5.724 -0.657 -7.235 1.00 1.46 H new ATOM 0 HD23 LEU A 94 6.259 -0.694 -8.932 1.00 1.46 H new ATOM 1441 N GLU A 95 7.770 4.560 -9.733 1.00 1.54 N ATOM 1442 CA GLU A 95 8.917 4.734 -10.597 1.00 1.63 C ATOM 1443 C GLU A 95 10.193 4.582 -9.791 1.00 1.62 C ATOM 1444 O GLU A 95 10.410 5.300 -8.812 1.00 1.54 O ATOM 1445 CB GLU A 95 8.883 6.104 -11.259 1.00 1.61 C ATOM 1446 CG GLU A 95 7.514 6.499 -11.803 1.00 1.66 C ATOM 1447 CD GLU A 95 7.324 6.090 -13.247 1.00 1.76 C ATOM 1448 OE1 GLU A 95 7.846 6.792 -14.140 1.00 1.92 O ATOM 1449 OE2 GLU A 95 6.651 5.069 -13.498 1.00 1.89 O ATOM 0 H GLU A 95 7.461 5.410 -9.261 1.00 1.54 H new ATOM 0 HA GLU A 95 8.888 3.971 -11.375 1.00 1.63 H new ATOM 0 HB2 GLU A 95 9.205 6.853 -10.536 1.00 1.61 H new ATOM 0 HB3 GLU A 95 9.605 6.119 -12.076 1.00 1.61 H new ATOM 0 HG2 GLU A 95 6.737 6.038 -11.193 1.00 1.66 H new ATOM 0 HG3 GLU A 95 7.389 7.578 -11.715 1.00 1.66 H new ATOM 1456 N ASN A 96 11.023 3.647 -10.204 1.00 1.75 N ATOM 1457 CA ASN A 96 12.283 3.375 -9.524 1.00 1.79 C ATOM 1458 C ASN A 96 13.156 2.466 -10.377 1.00 1.95 C ATOM 1459 O ASN A 96 14.348 2.781 -10.559 1.00 2.00 O ATOM 1460 CB ASN A 96 12.038 2.726 -8.159 1.00 1.81 C ATOM 1461 CG ASN A 96 13.137 3.051 -7.168 1.00 1.91 C ATOM 1462 OD1 ASN A 96 13.117 4.103 -6.526 1.00 1.90 O ATOM 1463 ND2 ASN A 96 14.097 2.153 -7.026 1.00 2.16 N ATOM 1464 OXT ASN A 96 12.638 1.452 -10.888 1.00 2.10 O ATOM 0 H ASN A 96 10.849 3.054 -11.016 1.00 1.75 H new ATOM 0 HA ASN A 96 12.796 4.324 -9.370 1.00 1.79 H new ATOM 0 HB2 ASN A 96 11.081 3.066 -7.763 1.00 1.81 H new ATOM 0 HB3 ASN A 96 11.967 1.645 -8.279 1.00 1.81 H new ATOM 0 HD21 ASN A 96 14.857 2.319 -6.366 1.00 2.16 H new ATOM 0 HD22 ASN A 96 14.078 1.294 -7.576 1.00 2.16 H new TER 1471 ASN A 96 ATOM 1472 N PRO B 97 12.765 -0.814 -12.395 1.00 5.31 N ATOM 1473 CA PRO B 97 11.506 -1.459 -11.972 1.00 4.47 C ATOM 1474 C PRO B 97 11.757 -2.400 -10.803 1.00 3.48 C ATOM 1475 O PRO B 97 12.626 -3.272 -10.881 1.00 3.61 O ATOM 1476 CB PRO B 97 10.925 -2.225 -13.153 1.00 4.90 C ATOM 1477 CG PRO B 97 11.946 -2.055 -14.226 1.00 5.81 C ATOM 1478 CD PRO B 97 12.741 -0.822 -13.866 1.00 6.03 C ATOM 0 HA PRO B 97 10.798 -0.697 -11.645 1.00 4.47 H new ATOM 0 HB2 PRO B 97 10.771 -3.277 -12.911 1.00 4.90 H new ATOM 0 HB3 PRO B 97 9.958 -1.822 -13.454 1.00 4.90 H new ATOM 0 HG2 PRO B 97 12.593 -2.930 -14.289 1.00 5.81 H new ATOM 0 HG3 PRO B 97 11.470 -1.940 -15.200 1.00 5.81 H new ATOM 0 HD2 PRO B 97 13.749 -0.865 -14.279 1.00 6.03 H new ATOM 0 HD3 PRO B 97 12.274 0.080 -14.260 1.00 6.03 H new ATOM 1488 N PHE B 98 11.008 -2.202 -9.715 1.00 2.95 N ATOM 1489 CA PHE B 98 11.135 -3.030 -8.517 1.00 2.19 C ATOM 1490 C PHE B 98 12.535 -2.878 -7.916 1.00 2.34 C ATOM 1491 O PHE B 98 13.265 -1.951 -8.277 1.00 3.29 O ATOM 1492 CB PHE B 98 10.835 -4.496 -8.859 1.00 2.00 C ATOM 1493 CG PHE B 98 10.279 -5.301 -7.716 1.00 1.87 C ATOM 1494 CD1 PHE B 98 9.343 -4.741 -6.863 1.00 2.19 C ATOM 1495 CD2 PHE B 98 10.695 -6.604 -7.488 1.00 2.36 C ATOM 1496 CE1 PHE B 98 8.831 -5.465 -5.806 1.00 2.98 C ATOM 1497 CE2 PHE B 98 10.187 -7.330 -6.431 1.00 3.10 C ATOM 1498 CZ PHE B 98 9.250 -6.812 -5.626 1.00 3.41 C ATOM 0 H PHE B 98 10.303 -1.469 -9.641 1.00 2.95 H new ATOM 0 HA PHE B 98 10.411 -2.699 -7.773 1.00 2.19 H new ATOM 0 HB2 PHE B 98 10.126 -4.525 -9.686 1.00 2.00 H new ATOM 0 HB3 PHE B 98 11.752 -4.970 -9.208 1.00 2.00 H new ATOM 0 HD1 PHE B 98 9.010 -3.727 -7.027 1.00 2.19 H new ATOM 0 HD2 PHE B 98 11.424 -7.055 -8.145 1.00 2.36 H new ATOM 0 HE1 PHE B 98 8.123 -5.016 -5.126 1.00 2.98 H new ATOM 0 HE2 PHE B 98 10.550 -8.331 -6.250 1.00 3.10 H new ATOM 0 HZ PHE B 98 8.814 -7.415 -4.843 1.00 3.41 H new ATOM 1508 N ASP B 99 12.907 -3.767 -7.002 1.00 2.17 N ATOM 1509 CA ASP B 99 14.227 -3.698 -6.378 1.00 3.06 C ATOM 1510 C ASP B 99 14.585 -5.017 -5.707 1.00 2.89 C ATOM 1511 O ASP B 99 15.341 -5.815 -6.261 1.00 3.22 O ATOM 1512 CB ASP B 99 14.288 -2.562 -5.355 1.00 3.92 C ATOM 1513 CG ASP B 99 15.709 -2.124 -5.055 1.00 4.49 C ATOM 1514 OD1 ASP B 99 16.268 -1.320 -5.829 1.00 4.56 O ATOM 1515 OD2 ASP B 99 16.276 -2.586 -4.046 1.00 5.16 O ATOM 0 H ASP B 99 12.322 -4.537 -6.678 1.00 2.17 H new ATOM 0 HA ASP B 99 14.953 -3.500 -7.167 1.00 3.06 H new ATOM 0 HB2 ASP B 99 13.720 -1.710 -5.729 1.00 3.92 H new ATOM 0 HB3 ASP B 99 13.808 -2.884 -4.431 1.00 3.92 H new ATOM 1520 N GLU B 100 14.036 -5.251 -4.521 1.00 2.79 N ATOM 1521 CA GLU B 100 14.313 -6.475 -3.786 1.00 2.70 C ATOM 1522 C GLU B 100 13.031 -7.106 -3.263 1.00 2.21 C ATOM 1523 O GLU B 100 12.059 -6.413 -2.961 1.00 2.92 O ATOM 1524 CB GLU B 100 15.264 -6.199 -2.619 1.00 3.56 C ATOM 1525 CG GLU B 100 16.731 -6.211 -3.010 1.00 4.43 C ATOM 1526 CD GLU B 100 17.245 -7.602 -3.338 1.00 4.76 C ATOM 1527 OE1 GLU B 100 16.418 -8.493 -3.621 1.00 4.88 O ATOM 1528 OE2 GLU B 100 18.475 -7.815 -3.308 1.00 5.22 O ATOM 0 H GLU B 100 13.398 -4.610 -4.050 1.00 2.79 H new ATOM 0 HA GLU B 100 14.786 -7.173 -4.477 1.00 2.70 H new ATOM 0 HB2 GLU B 100 15.021 -5.229 -2.186 1.00 3.56 H new ATOM 0 HB3 GLU B 100 15.098 -6.946 -1.842 1.00 3.56 H new ATOM 0 HG2 GLU B 100 16.877 -5.563 -3.874 1.00 4.43 H new ATOM 0 HG3 GLU B 100 17.322 -5.794 -2.195 1.00 4.43 H new ATOM 1535 N ASP B 101 13.040 -8.428 -3.161 1.00 1.79 N ATOM 1536 CA ASP B 101 11.885 -9.171 -2.671 1.00 2.23 C ATOM 1537 C ASP B 101 12.339 -10.278 -1.722 1.00 2.11 C ATOM 1538 O ASP B 101 11.661 -11.290 -1.547 1.00 2.78 O ATOM 1539 CB ASP B 101 11.094 -9.760 -3.846 1.00 3.00 C ATOM 1540 CG ASP B 101 9.685 -10.183 -3.467 1.00 3.72 C ATOM 1541 OD1 ASP B 101 9.089 -9.544 -2.572 1.00 4.23 O ATOM 1542 OD2 ASP B 101 9.163 -11.150 -4.055 1.00 4.18 O ATOM 0 H ASP B 101 13.838 -9.011 -3.412 1.00 1.79 H new ATOM 0 HA ASP B 101 11.233 -8.490 -2.125 1.00 2.23 H new ATOM 0 HB2 ASP B 101 11.042 -9.022 -4.647 1.00 3.00 H new ATOM 0 HB3 ASP B 101 11.631 -10.622 -4.241 1.00 3.00 H new ATOM 1547 N GLN B 102 13.499 -10.076 -1.109 1.00 1.73 N ATOM 1548 CA GLN B 102 14.035 -11.057 -0.170 1.00 1.74 C ATOM 1549 C GLN B 102 13.410 -10.859 1.208 1.00 1.55 C ATOM 1550 O GLN B 102 12.905 -11.804 1.815 1.00 2.15 O ATOM 1551 CB GLN B 102 15.570 -10.994 -0.089 1.00 2.18 C ATOM 1552 CG GLN B 102 16.191 -9.684 -0.562 1.00 2.55 C ATOM 1553 CD GLN B 102 16.142 -8.592 0.486 1.00 3.18 C ATOM 1554 OE1 GLN B 102 15.214 -7.780 0.517 1.00 3.61 O ATOM 1555 NE2 GLN B 102 17.135 -8.566 1.359 1.00 3.81 N ATOM 0 H GLN B 102 14.083 -9.250 -1.242 1.00 1.73 H new ATOM 0 HA GLN B 102 13.775 -12.049 -0.538 1.00 1.74 H new ATOM 0 HB2 GLN B 102 15.871 -11.168 0.944 1.00 2.18 H new ATOM 0 HB3 GLN B 102 15.983 -11.809 -0.683 1.00 2.18 H new ATOM 0 HG2 GLN B 102 17.229 -9.862 -0.845 1.00 2.55 H new ATOM 0 HG3 GLN B 102 15.670 -9.344 -1.457 1.00 2.55 H new ATOM 0 HE21 GLN B 102 17.884 -9.255 1.300 1.00 3.81 H new ATOM 0 HE22 GLN B 102 17.152 -7.856 2.092 1.00 3.81 H new ATOM 1564 N HIS B 103 13.437 -9.628 1.692 1.00 1.29 N ATOM 1565 CA HIS B 103 12.846 -9.301 2.978 1.00 1.54 C ATOM 1566 C HIS B 103 11.637 -8.404 2.749 1.00 1.27 C ATOM 1567 O HIS B 103 11.703 -7.182 2.897 1.00 1.88 O ATOM 1568 CB HIS B 103 13.859 -8.622 3.908 1.00 2.46 C ATOM 1569 CG HIS B 103 13.315 -8.352 5.281 1.00 3.16 C ATOM 1570 ND1 HIS B 103 13.500 -7.143 5.907 1.00 3.79 N ATOM 1571 CD2 HIS B 103 12.592 -9.161 6.092 1.00 3.79 C ATOM 1572 CE1 HIS B 103 12.888 -7.246 7.076 1.00 4.60 C ATOM 1573 NE2 HIS B 103 12.326 -8.449 7.232 1.00 4.61 N ATOM 0 H HIS B 103 13.864 -8.836 1.211 1.00 1.29 H new ATOM 0 HA HIS B 103 12.534 -10.223 3.469 1.00 1.54 H new ATOM 0 HB2 HIS B 103 14.744 -9.253 3.993 1.00 2.46 H new ATOM 0 HB3 HIS B 103 14.180 -7.681 3.460 1.00 2.46 H new ATOM 0 HD2 HIS B 103 12.284 -10.174 5.880 1.00 3.79 H new ATOM 0 HE1 HIS B 103 12.848 -6.457 7.812 1.00 4.60 H new ATOM 0 HE2 HIS B 103 11.800 -8.774 8.043 1.00 4.61 H new ATOM 1581 N THR B 104 10.546 -9.022 2.350 1.00 1.15 N ATOM 1582 CA THR B 104 9.320 -8.307 2.078 1.00 1.67 C ATOM 1583 C THR B 104 8.167 -8.937 2.849 1.00 1.52 C ATOM 1584 O THR B 104 8.339 -9.983 3.475 1.00 1.82 O ATOM 1585 CB THR B 104 9.022 -8.318 0.566 1.00 2.34 C ATOM 1586 OG1 THR B 104 9.344 -9.599 0.018 1.00 2.54 O ATOM 1587 CG2 THR B 104 9.831 -7.255 -0.157 1.00 3.10 C ATOM 0 H THR B 104 10.485 -10.030 2.206 1.00 1.15 H new ATOM 0 HA THR B 104 9.435 -7.273 2.402 1.00 1.67 H new ATOM 0 HB THR B 104 7.961 -8.107 0.430 1.00 2.34 H new ATOM 0 HG1 THR B 104 9.619 -9.495 -0.917 1.00 2.54 H new ATOM 0 HG21 THR B 104 9.601 -7.285 -1.222 1.00 3.10 H new ATOM 0 HG22 THR B 104 9.579 -6.272 0.241 1.00 3.10 H new ATOM 0 HG23 THR B 104 10.894 -7.444 -0.010 1.00 3.10 H new ATOM 1595 N GLN B 105 7.004 -8.305 2.821 1.00 1.14 N ATOM 1596 CA GLN B 105 5.846 -8.832 3.528 1.00 1.00 C ATOM 1597 C GLN B 105 4.624 -8.827 2.619 1.00 0.95 C ATOM 1598 O GLN B 105 4.620 -8.162 1.584 1.00 1.01 O ATOM 1599 CB GLN B 105 5.577 -8.016 4.790 1.00 0.86 C ATOM 1600 CG GLN B 105 5.226 -8.870 5.996 1.00 1.15 C ATOM 1601 CD GLN B 105 5.209 -8.082 7.288 1.00 1.77 C ATOM 1602 OE1 GLN B 105 5.931 -7.099 7.441 1.00 2.49 O ATOM 1603 NE2 GLN B 105 4.379 -8.509 8.223 1.00 2.35 N ATOM 0 H GLN B 105 6.837 -7.432 2.320 1.00 1.14 H new ATOM 0 HA GLN B 105 6.055 -9.861 3.821 1.00 1.00 H new ATOM 0 HB2 GLN B 105 6.458 -7.418 5.022 1.00 0.86 H new ATOM 0 HB3 GLN B 105 4.761 -7.320 4.597 1.00 0.86 H new ATOM 0 HG2 GLN B 105 4.248 -9.325 5.841 1.00 1.15 H new ATOM 0 HG3 GLN B 105 5.946 -9.684 6.081 1.00 1.15 H new ATOM 0 HE21 GLN B 105 3.798 -9.330 8.053 1.00 2.35 H new ATOM 0 HE22 GLN B 105 4.319 -8.018 9.115 1.00 2.35 H new ATOM 1612 N ILE B 106 3.593 -9.564 3.002 1.00 0.89 N ATOM 1613 CA ILE B 106 2.376 -9.639 2.208 1.00 0.86 C ATOM 1614 C ILE B 106 1.154 -9.802 3.102 1.00 0.77 C ATOM 1615 O ILE B 106 1.126 -10.659 3.984 1.00 0.81 O ATOM 1616 CB ILE B 106 2.446 -10.800 1.187 1.00 1.01 C ATOM 1617 CG1 ILE B 106 1.063 -11.116 0.606 1.00 1.40 C ATOM 1618 CG2 ILE B 106 3.051 -12.039 1.825 1.00 1.68 C ATOM 1619 CD1 ILE B 106 1.067 -12.251 -0.398 1.00 1.61 C ATOM 0 H ILE B 106 3.574 -10.119 3.858 1.00 0.89 H new ATOM 0 HA ILE B 106 2.284 -8.702 1.658 1.00 0.86 H new ATOM 0 HB ILE B 106 3.089 -10.482 0.366 1.00 1.01 H new ATOM 0 HG12 ILE B 106 0.385 -11.367 1.422 1.00 1.40 H new ATOM 0 HG13 ILE B 106 0.667 -10.221 0.127 1.00 1.40 H new ATOM 0 HG21 ILE B 106 3.091 -12.844 1.091 1.00 1.68 H new ATOM 0 HG22 ILE B 106 4.059 -11.814 2.172 1.00 1.68 H new ATOM 0 HG23 ILE B 106 2.437 -12.350 2.670 1.00 1.68 H new ATOM 0 HD11 ILE B 106 0.054 -12.416 -0.765 1.00 1.61 H new ATOM 0 HD12 ILE B 106 1.718 -11.995 -1.234 1.00 1.61 H new ATOM 0 HD13 ILE B 106 1.432 -13.159 0.081 1.00 1.61 H new ATOM 1631 N THR B 107 0.158 -8.961 2.880 1.00 0.68 N ATOM 1632 CA THR B 107 -1.068 -9.007 3.651 1.00 0.63 C ATOM 1633 C THR B 107 -2.286 -8.891 2.748 1.00 0.57 C ATOM 1634 O THR B 107 -2.383 -7.989 1.913 1.00 0.56 O ATOM 1635 CB THR B 107 -1.098 -7.896 4.720 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.020 -8.051 5.606 1.00 0.80 O ATOM 1637 CG2 THR B 107 -2.392 -7.931 5.523 1.00 0.62 C ATOM 0 H THR B 107 0.178 -8.233 2.166 1.00 0.68 H new ATOM 0 HA THR B 107 -1.098 -9.973 4.155 1.00 0.63 H new ATOM 0 HB THR B 107 -1.041 -6.934 4.210 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.844 -7.796 5.141 1.00 0.80 H new ATOM 0 HG21 THR B 107 -2.380 -7.135 6.267 1.00 0.62 H new ATOM 0 HG22 THR B 107 -3.240 -7.789 4.853 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.483 -8.895 6.024 1.00 0.62 H new ATOM 1645 N LYS B 108 -3.194 -9.836 2.908 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.419 -9.869 2.140 1.00 0.68 C ATOM 1647 C LYS B 108 -5.445 -8.962 2.814 1.00 0.58 C ATOM 1648 O LYS B 108 -6.015 -9.317 3.845 1.00 0.68 O ATOM 1649 CB LYS B 108 -4.925 -11.314 2.052 1.00 0.91 C ATOM 1650 CG LYS B 108 -3.826 -12.313 1.723 1.00 1.20 C ATOM 1651 CD LYS B 108 -4.221 -13.729 2.103 1.00 1.70 C ATOM 1652 CE LYS B 108 -3.016 -14.656 2.114 1.00 2.51 C ATOM 1653 NZ LYS B 108 -3.343 -15.990 2.681 1.00 3.39 N ATOM 0 H LYS B 108 -3.100 -10.602 3.575 1.00 0.65 H new ATOM 0 HA LYS B 108 -4.247 -9.509 1.126 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -5.386 -11.589 3.001 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -5.702 -11.375 1.290 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -3.604 -12.271 0.657 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -2.913 -12.036 2.250 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -4.689 -13.726 3.087 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -4.964 -14.103 1.398 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -2.642 -14.776 1.097 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -2.215 -14.201 2.696 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -2.493 -16.590 2.669 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -3.675 -15.879 3.660 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -4.090 -16.436 2.111 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.669 -7.792 2.235 1.00 0.51 N ATOM 1668 CA VAL B 109 -6.579 -6.826 2.789 1.00 0.55 C ATOM 1669 C VAL B 109 -7.326 -6.124 1.646 1.00 0.76 C ATOM 1670 O VAL B 109 -8.000 -6.835 0.868 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.784 -5.838 3.688 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -4.700 -5.117 2.894 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.696 -4.854 4.399 1.00 1.21 C ATOM 1674 OXT VAL B 109 -7.233 -4.896 1.512 1.00 1.18 O ATOM 0 H VAL B 109 -5.221 -7.494 1.368 1.00 0.51 H new ATOM 0 HA VAL B 109 -7.329 -7.306 3.418 1.00 0.55 H new ATOM 0 HB VAL B 109 -5.293 -6.432 4.459 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -4.162 -4.433 3.551 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -4.004 -5.848 2.482 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -5.158 -4.554 2.081 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -6.098 -4.183 5.016 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.249 -4.272 3.662 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -7.397 -5.399 5.031 1.00 1.21 H new TER 1684 VAL B 109