USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 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 83 GLN : amide:sc= 0.293 K(o=0.84,f=-0.22) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.545 K(o=0.84,f=-0.65) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.512 X(o=0.96,f=0.6) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0.444 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0.061 USER MOD Set 3.2: A 46 HIS : no HD1:sc= 0.00376 K(o=0.065,f=-0.54) USER MOD Single : A 0 GLY N :NH3+ -104:sc= 0.054 (180deg=0) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0597) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -173:sc= 0 (180deg=-0.0333) USER MOD Single : A 26 GLN : amide:sc= 1.25 K(o=1.3,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 2.07 (180deg=1.68) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.07) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -25:sc= -0.422 USER MOD Single : A 42 SER OG : rot -48:sc= 0.194 USER MOD Single : A 52 GLN : amide:sc= 1.07 K(o=1.1,f=-4.5!) USER MOD Single : A 53 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.015) USER MOD Single : A 56 SER OG : rot -176:sc= 0.832 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0087 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.721 K(o=0.72,f=-0.2) USER MOD Single : A 67 ASN : amide:sc= 0.449 K(o=0.45,f=-0.75) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 0.822 (180deg=0.456) USER MOD Single : A 71 ASN : amide:sc= 0.00809 K(o=0.0081,f=-0.83) USER MOD Single : A 73 THR OG1 : rot 60:sc= 1.85 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.00906 USER MOD Single : A 86 GLN : amide:sc= 0.488 K(o=0.49,f=-3.9!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 HIS : no HD1:sc= 0.751 K(o=0.75,f=-2.3!) USER MOD Single : A 93 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.3) USER MOD Single : A 94 SER OG : rot 176:sc= 1.25 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 178:sc= 0 (180deg=-0.0042) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -168:sc= 0.829 (180deg=0.774) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -1.565 -11.207 -17.507 1.00 0.00 N ATOM 2 CA GLY A 0 -0.275 -11.738 -18.003 1.00 0.00 C ATOM 3 C GLY A 0 0.807 -11.697 -16.932 1.00 0.00 C ATOM 4 O GLY A 0 0.714 -10.927 -15.974 1.00 0.00 O ATOM 0 H1 GLY A 0 -2.215 -11.996 -17.317 1.00 0.00 H new ATOM 0 H2 GLY A 0 -1.406 -10.671 -16.630 1.00 0.00 H new ATOM 0 H3 GLY A 0 -1.982 -10.580 -18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -0.412 -12.765 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 0 0.048 -11.158 -18.867 1.00 0.00 H new ATOM 10 N MET A 1 1.846 -12.525 -17.083 1.00 0.00 N ATOM 11 CA MET A 1 3.005 -12.572 -16.173 1.00 0.00 C ATOM 12 C MET A 1 3.905 -11.317 -16.293 1.00 0.00 C ATOM 13 O MET A 1 3.924 -10.690 -17.358 1.00 0.00 O ATOM 14 CB MET A 1 3.832 -13.841 -16.440 1.00 0.00 C ATOM 15 CG MET A 1 3.055 -15.125 -16.115 1.00 0.00 C ATOM 16 SD MET A 1 3.967 -16.670 -16.400 1.00 0.00 S ATOM 17 CE MET A 1 5.202 -16.589 -15.070 1.00 0.00 C ATOM 0 H MET A 1 1.910 -13.193 -17.851 1.00 0.00 H new ATOM 0 HA MET A 1 2.615 -12.592 -15.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.137 -13.859 -17.486 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.743 -13.810 -15.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.747 -15.090 -15.070 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.145 -15.142 -16.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.759 -17.525 -15.033 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.889 -15.765 -15.261 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.700 -16.428 -14.116 1.00 0.00 H new ATOM 27 N PRO A 2 4.689 -10.960 -15.251 1.00 0.00 N ATOM 28 CA PRO A 2 5.652 -9.851 -15.287 1.00 0.00 C ATOM 29 C PRO A 2 6.642 -9.950 -16.474 1.00 0.00 C ATOM 30 O PRO A 2 7.346 -10.962 -16.580 1.00 0.00 O ATOM 31 CB PRO A 2 6.377 -9.909 -13.935 1.00 0.00 C ATOM 32 CG PRO A 2 5.326 -10.503 -13.003 1.00 0.00 C ATOM 33 CD PRO A 2 4.642 -11.526 -13.906 1.00 0.00 C ATOM 0 HA PRO A 2 5.145 -8.899 -15.441 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.271 -10.531 -13.983 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.695 -8.920 -13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.775 -10.969 -12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.628 -9.748 -12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.155 -12.487 -13.868 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.613 -11.701 -13.591 1.00 0.00 H new ATOM 41 N PRO A 3 6.724 -8.950 -17.380 1.00 0.00 N ATOM 42 CA PRO A 3 7.571 -9.034 -18.577 1.00 0.00 C ATOM 43 C PRO A 3 9.084 -9.033 -18.273 1.00 0.00 C ATOM 44 O PRO A 3 9.523 -8.336 -17.353 1.00 0.00 O ATOM 45 CB PRO A 3 7.192 -7.837 -19.454 1.00 0.00 C ATOM 46 CG PRO A 3 5.779 -7.493 -18.995 1.00 0.00 C ATOM 47 CD PRO A 3 5.835 -7.801 -17.501 1.00 0.00 C ATOM 0 HA PRO A 3 7.394 -9.987 -19.076 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.876 -7.001 -19.309 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.219 -8.091 -20.514 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.533 -6.448 -19.185 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.028 -8.095 -19.506 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.214 -6.949 -16.937 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.844 -8.027 -17.108 1.00 0.00 H new ATOM 55 N PRO A 4 9.912 -9.755 -19.055 1.00 0.00 N ATOM 56 CA PRO A 4 11.366 -9.758 -18.887 1.00 0.00 C ATOM 57 C PRO A 4 11.990 -8.384 -19.193 1.00 0.00 C ATOM 58 O PRO A 4 11.515 -7.643 -20.056 1.00 0.00 O ATOM 59 CB PRO A 4 11.885 -10.852 -19.826 1.00 0.00 C ATOM 60 CG PRO A 4 10.836 -10.884 -20.936 1.00 0.00 C ATOM 61 CD PRO A 4 9.536 -10.583 -20.192 1.00 0.00 C ATOM 0 HA PRO A 4 11.645 -9.959 -17.853 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.875 -10.613 -20.214 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.965 -11.814 -19.319 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.041 -10.141 -21.706 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.802 -11.855 -21.431 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.828 -10.063 -20.837 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.052 -11.502 -19.863 1.00 0.00 H new ATOM 69 N ALA A 5 13.070 -8.056 -18.476 1.00 0.00 N ATOM 70 CA ALA A 5 13.845 -6.805 -18.551 1.00 0.00 C ATOM 71 C ALA A 5 13.093 -5.484 -18.239 1.00 0.00 C ATOM 72 O ALA A 5 13.711 -4.418 -18.213 1.00 0.00 O ATOM 73 CB ALA A 5 14.649 -6.777 -19.860 1.00 0.00 C ATOM 0 H ALA A 5 13.454 -8.697 -17.781 1.00 0.00 H new ATOM 0 HA ALA A 5 14.532 -6.834 -17.705 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.222 -5.852 -19.915 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.330 -7.628 -19.887 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.966 -6.832 -20.708 1.00 0.00 H new ATOM 79 N ASP A 6 11.800 -5.548 -17.908 1.00 0.00 N ATOM 80 CA ASP A 6 10.991 -4.433 -17.375 1.00 0.00 C ATOM 81 C ASP A 6 10.978 -4.391 -15.828 1.00 0.00 C ATOM 82 O ASP A 6 10.149 -3.718 -15.216 1.00 0.00 O ATOM 83 CB ASP A 6 9.567 -4.478 -17.969 1.00 0.00 C ATOM 84 CG ASP A 6 9.497 -4.209 -19.484 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.442 -4.495 -20.091 1.00 0.00 O ATOM 86 OD2 ASP A 6 10.446 -3.638 -20.067 1.00 0.00 O ATOM 0 H ASP A 6 11.261 -6.409 -18.005 1.00 0.00 H new ATOM 0 HA ASP A 6 11.463 -3.501 -17.688 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.134 -5.457 -17.766 1.00 0.00 H new ATOM 0 HB3 ASP A 6 8.949 -3.743 -17.454 1.00 0.00 H new ATOM 91 N ILE A 7 11.890 -5.129 -15.184 1.00 0.00 N ATOM 92 CA ILE A 7 11.914 -5.388 -13.738 1.00 0.00 C ATOM 93 C ILE A 7 13.302 -5.073 -13.168 1.00 0.00 C ATOM 94 O ILE A 7 14.321 -5.449 -13.755 1.00 0.00 O ATOM 95 CB ILE A 7 11.492 -6.849 -13.435 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.143 -7.213 -14.099 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.433 -7.098 -11.916 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.741 -8.683 -13.951 1.00 0.00 C ATOM 0 H ILE A 7 12.662 -5.580 -15.675 1.00 0.00 H new ATOM 0 HA ILE A 7 11.193 -4.732 -13.250 1.00 0.00 H new ATOM 0 HB ILE A 7 12.253 -7.499 -13.866 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.360 -6.590 -13.668 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.197 -6.969 -15.160 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.135 -8.129 -11.728 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.416 -6.919 -11.479 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.707 -6.422 -11.464 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.784 -8.850 -14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.501 -9.316 -14.409 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.651 -8.931 -12.893 1.00 0.00 H new ATOM 110 N VAL A 8 13.344 -4.408 -12.011 1.00 0.00 N ATOM 111 CA VAL A 8 14.573 -3.970 -11.328 1.00 0.00 C ATOM 112 C VAL A 8 14.578 -4.387 -9.854 1.00 0.00 C ATOM 113 O VAL A 8 13.630 -4.120 -9.117 1.00 0.00 O ATOM 114 CB VAL A 8 14.802 -2.452 -11.498 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.239 -2.136 -12.932 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.588 -1.576 -11.163 1.00 0.00 C ATOM 0 H VAL A 8 12.498 -4.149 -11.504 1.00 0.00 H new ATOM 0 HA VAL A 8 15.412 -4.477 -11.805 1.00 0.00 H new ATOM 0 HB VAL A 8 15.580 -2.208 -10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.396 -1.062 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.168 -2.662 -13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.464 -2.458 -13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.844 -0.527 -11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.756 -1.843 -11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.300 -1.735 -10.124 1.00 0.00 H new ATOM 126 N LYS A 9 15.649 -5.058 -9.414 1.00 0.00 N ATOM 127 CA LYS A 9 15.861 -5.441 -8.006 1.00 0.00 C ATOM 128 C LYS A 9 16.294 -4.234 -7.167 1.00 0.00 C ATOM 129 O LYS A 9 17.087 -3.418 -7.637 1.00 0.00 O ATOM 130 CB LYS A 9 16.875 -6.598 -7.926 1.00 0.00 C ATOM 131 CG LYS A 9 16.839 -7.299 -6.558 1.00 0.00 C ATOM 132 CD LYS A 9 17.848 -8.455 -6.495 1.00 0.00 C ATOM 133 CE LYS A 9 17.699 -9.261 -5.197 1.00 0.00 C ATOM 134 NZ LYS A 9 16.595 -10.253 -5.276 1.00 0.00 N ATOM 0 H LYS A 9 16.405 -5.356 -10.031 1.00 0.00 H new ATOM 0 HA LYS A 9 14.918 -5.792 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.661 -7.323 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.878 -6.215 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.060 -6.577 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.835 -7.679 -6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.703 -9.113 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.861 -8.059 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.635 -9.777 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.514 -8.579 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.531 -10.774 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.697 -9.760 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.783 -10.921 -6.051 1.00 0.00 H new ATOM 148 N VAL A 10 15.806 -4.138 -5.933 1.00 0.00 N ATOM 149 CA VAL A 10 16.045 -3.019 -5.002 1.00 0.00 C ATOM 150 C VAL A 10 16.243 -3.504 -3.564 1.00 0.00 C ATOM 151 O VAL A 10 15.760 -4.575 -3.190 1.00 0.00 O ATOM 152 CB VAL A 10 14.900 -1.984 -5.057 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.762 -1.368 -6.452 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.537 -2.559 -4.640 1.00 0.00 C ATOM 0 H VAL A 10 15.209 -4.861 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 10 16.967 -2.536 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 10 15.181 -1.217 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.946 -0.645 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.691 -0.867 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.550 -2.154 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.779 -1.779 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.269 -3.379 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.596 -2.928 -3.616 1.00 0.00 H new ATOM 164 N ALA A 11 16.917 -2.692 -2.746 1.00 0.00 N ATOM 165 CA ALA A 11 17.038 -2.877 -1.297 1.00 0.00 C ATOM 166 C ALA A 11 16.389 -1.693 -0.561 1.00 0.00 C ATOM 167 O ALA A 11 16.835 -0.556 -0.712 1.00 0.00 O ATOM 168 CB ALA A 11 18.519 -3.040 -0.933 1.00 0.00 C ATOM 0 H ALA A 11 17.408 -1.864 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 11 16.511 -3.779 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.616 -3.178 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.927 -3.910 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.068 -2.148 -1.235 1.00 0.00 H new ATOM 174 N ILE A 12 15.327 -1.941 0.207 1.00 0.00 N ATOM 175 CA ILE A 12 14.496 -0.901 0.834 1.00 0.00 C ATOM 176 C ILE A 12 14.815 -0.785 2.326 1.00 0.00 C ATOM 177 O ILE A 12 14.745 -1.765 3.064 1.00 0.00 O ATOM 178 CB ILE A 12 12.994 -1.175 0.603 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.670 -1.359 -0.898 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.131 -0.030 1.184 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.346 -2.084 -1.107 1.00 0.00 C ATOM 0 H ILE A 12 15.011 -2.888 0.417 1.00 0.00 H new ATOM 0 HA ILE A 12 14.731 0.053 0.363 1.00 0.00 H new ATOM 0 HB ILE A 12 12.755 -2.104 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.631 -0.384 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.472 -1.921 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.077 -0.245 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.312 0.054 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.396 0.908 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.155 -2.193 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.394 -3.070 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.540 -1.508 -0.652 1.00 0.00 H new ATOM 193 N GLU A 13 15.136 0.421 2.779 1.00 0.00 N ATOM 194 CA GLU A 13 15.390 0.758 4.184 1.00 0.00 C ATOM 195 C GLU A 13 14.102 1.068 4.976 1.00 0.00 C ATOM 196 O GLU A 13 13.159 1.668 4.452 1.00 0.00 O ATOM 197 CB GLU A 13 16.345 1.961 4.274 1.00 0.00 C ATOM 198 CG GLU A 13 17.748 1.665 3.722 1.00 0.00 C ATOM 199 CD GLU A 13 18.760 2.789 4.039 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.975 2.487 4.140 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.365 3.970 4.198 1.00 0.00 O ATOM 0 H GLU A 13 15.231 1.225 2.158 1.00 0.00 H new ATOM 0 HA GLU A 13 15.843 -0.124 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.915 2.799 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.430 2.272 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.109 0.726 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.688 1.529 2.642 1.00 0.00 H new ATOM 208 N TRP A 14 14.104 0.719 6.267 1.00 0.00 N ATOM 209 CA TRP A 14 13.094 1.099 7.265 1.00 0.00 C ATOM 210 C TRP A 14 13.720 1.110 8.680 1.00 0.00 C ATOM 211 O TRP A 14 14.559 0.244 8.960 1.00 0.00 O ATOM 212 CB TRP A 14 11.900 0.136 7.194 1.00 0.00 C ATOM 213 CG TRP A 14 10.818 0.393 8.195 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.600 -0.326 9.318 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.843 1.481 8.229 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.561 0.231 10.038 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.068 1.361 9.421 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.579 2.594 7.401 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.068 2.283 9.764 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.586 3.532 7.740 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.825 3.376 8.914 1.00 0.00 C ATOM 0 H TRP A 14 14.842 0.138 6.664 1.00 0.00 H new ATOM 0 HA TRP A 14 12.734 2.105 7.048 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.469 0.189 6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.265 -0.882 7.330 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.155 -1.205 9.609 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.204 -0.146 10.916 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.148 2.728 6.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.493 2.155 10.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.406 4.379 7.094 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.057 4.094 9.161 1.00 0.00 H new ATOM 232 N PRO A 15 13.370 2.049 9.588 1.00 0.00 N ATOM 233 CA PRO A 15 14.006 2.152 10.905 1.00 0.00 C ATOM 234 C PRO A 15 13.807 0.907 11.783 1.00 0.00 C ATOM 235 O PRO A 15 12.716 0.333 11.844 1.00 0.00 O ATOM 236 CB PRO A 15 13.425 3.411 11.563 1.00 0.00 C ATOM 237 CG PRO A 15 12.992 4.256 10.368 1.00 0.00 C ATOM 238 CD PRO A 15 12.488 3.193 9.398 1.00 0.00 C ATOM 0 HA PRO A 15 15.087 2.221 10.788 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.584 3.174 12.215 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.167 3.926 12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.212 4.970 10.633 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.820 4.829 9.952 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.451 2.929 9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.524 3.551 8.369 1.00 0.00 H new ATOM 246 N GLY A 16 14.866 0.493 12.487 1.00 0.00 N ATOM 247 CA GLY A 16 14.849 -0.668 13.391 1.00 0.00 C ATOM 248 C GLY A 16 14.756 -2.040 12.700 1.00 0.00 C ATOM 249 O GLY A 16 14.488 -3.037 13.374 1.00 0.00 O ATOM 0 H GLY A 16 15.772 0.959 12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.753 -0.647 13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.004 -0.565 14.072 1.00 0.00 H new ATOM 253 N ALA A 17 14.967 -2.109 11.380 1.00 0.00 N ATOM 254 CA ALA A 17 14.876 -3.328 10.571 1.00 0.00 C ATOM 255 C ALA A 17 16.029 -3.454 9.556 1.00 0.00 C ATOM 256 O ALA A 17 16.602 -2.459 9.106 1.00 0.00 O ATOM 257 CB ALA A 17 13.511 -3.352 9.868 1.00 0.00 C ATOM 0 H ALA A 17 15.214 -1.288 10.828 1.00 0.00 H new ATOM 0 HA ALA A 17 14.968 -4.189 11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.430 -4.254 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.717 -3.343 10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.416 -2.475 9.228 1.00 0.00 H new ATOM 263 N TYR A 18 16.348 -4.693 9.170 1.00 0.00 N ATOM 264 CA TYR A 18 17.266 -4.986 8.063 1.00 0.00 C ATOM 265 C TYR A 18 16.647 -4.579 6.705 1.00 0.00 C ATOM 266 O TYR A 18 15.422 -4.678 6.553 1.00 0.00 O ATOM 267 CB TYR A 18 17.620 -6.480 8.064 1.00 0.00 C ATOM 268 CG TYR A 18 18.264 -6.972 9.349 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.523 -7.747 10.264 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.606 -6.648 9.628 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.122 -8.195 11.459 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.207 -7.094 10.821 1.00 0.00 C ATOM 273 CZ TYR A 18 19.468 -7.868 11.741 1.00 0.00 C ATOM 274 OH TYR A 18 20.056 -8.297 12.892 1.00 0.00 O ATOM 0 H TYR A 18 15.974 -5.528 9.620 1.00 0.00 H new ATOM 0 HA TYR A 18 18.176 -4.402 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.712 -7.056 7.883 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.296 -6.681 7.233 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.495 -7.998 10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.175 -6.057 8.926 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.552 -8.788 12.159 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.236 -6.843 11.032 1.00 0.00 H new ATOM 0 HH TYR A 18 20.983 -7.982 12.923 1.00 0.00 H new ATOM 284 N PRO A 19 17.444 -4.156 5.701 1.00 0.00 N ATOM 285 CA PRO A 19 16.921 -3.770 4.390 1.00 0.00 C ATOM 286 C PRO A 19 16.158 -4.905 3.688 1.00 0.00 C ATOM 287 O PRO A 19 16.662 -6.025 3.562 1.00 0.00 O ATOM 288 CB PRO A 19 18.124 -3.294 3.568 1.00 0.00 C ATOM 289 CG PRO A 19 19.118 -2.847 4.639 1.00 0.00 C ATOM 290 CD PRO A 19 18.865 -3.843 5.771 1.00 0.00 C ATOM 0 HA PRO A 19 16.181 -2.978 4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.531 -4.093 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.857 -2.476 2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.147 -2.894 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.937 -1.820 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.471 -4.740 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.125 -3.413 6.738 1.00 0.00 H new ATOM 298 N LYS A 20 14.944 -4.611 3.208 1.00 0.00 N ATOM 299 CA LYS A 20 14.093 -5.546 2.459 1.00 0.00 C ATOM 300 C LYS A 20 14.527 -5.603 0.994 1.00 0.00 C ATOM 301 O LYS A 20 14.355 -4.632 0.256 1.00 0.00 O ATOM 302 CB LYS A 20 12.616 -5.139 2.632 1.00 0.00 C ATOM 303 CG LYS A 20 11.652 -5.941 1.744 1.00 0.00 C ATOM 304 CD LYS A 20 10.187 -5.679 2.133 1.00 0.00 C ATOM 305 CE LYS A 20 9.186 -6.291 1.139 1.00 0.00 C ATOM 306 NZ LYS A 20 9.286 -7.773 1.043 1.00 0.00 N ATOM 0 H LYS A 20 14.515 -3.694 3.332 1.00 0.00 H new ATOM 0 HA LYS A 20 14.204 -6.556 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.331 -5.271 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.510 -4.078 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.807 -5.672 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.870 -7.005 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.001 -6.088 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.019 -4.604 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.174 -6.020 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.352 -5.858 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.587 -8.124 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.242 -8.037 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.100 -8.195 1.975 1.00 0.00 H new ATOM 320 N LEU A 21 15.077 -6.739 0.572 1.00 0.00 N ATOM 321 CA LEU A 21 15.334 -7.033 -0.840 1.00 0.00 C ATOM 322 C LEU A 21 14.021 -7.426 -1.533 1.00 0.00 C ATOM 323 O LEU A 21 13.318 -8.326 -1.065 1.00 0.00 O ATOM 324 CB LEU A 21 16.386 -8.152 -0.965 1.00 0.00 C ATOM 325 CG LEU A 21 17.808 -7.727 -0.556 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.695 -8.959 -0.380 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.455 -6.830 -1.613 1.00 0.00 C ATOM 0 H LEU A 21 15.360 -7.489 1.203 1.00 0.00 H new ATOM 0 HA LEU A 21 15.730 -6.144 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.079 -8.995 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.406 -8.503 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 21 17.719 -7.175 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.698 -8.647 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.277 -9.601 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.743 -9.510 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.457 -6.551 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.516 -7.368 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.853 -5.931 -1.745 1.00 0.00 H new ATOM 339 N MET A 22 13.692 -6.771 -2.649 1.00 0.00 N ATOM 340 CA MET A 22 12.548 -7.123 -3.502 1.00 0.00 C ATOM 341 C MET A 22 12.752 -6.658 -4.952 1.00 0.00 C ATOM 342 O MET A 22 13.754 -6.022 -5.279 1.00 0.00 O ATOM 343 CB MET A 22 11.238 -6.578 -2.896 1.00 0.00 C ATOM 344 CG MET A 22 10.987 -5.082 -3.095 1.00 0.00 C ATOM 345 SD MET A 22 9.362 -4.564 -2.476 1.00 0.00 S ATOM 346 CE MET A 22 8.268 -5.177 -3.787 1.00 0.00 C ATOM 0 H MET A 22 14.219 -5.968 -2.993 1.00 0.00 H new ATOM 0 HA MET A 22 12.473 -8.210 -3.538 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.403 -7.129 -3.329 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.239 -6.788 -1.827 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.765 -4.515 -2.584 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.062 -4.842 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.252 -4.825 -3.608 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.615 -4.808 -4.752 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.279 -6.267 -3.790 1.00 0.00 H new ATOM 356 N GLU A 23 11.792 -6.956 -5.829 1.00 0.00 N ATOM 357 CA GLU A 23 11.794 -6.540 -7.231 1.00 0.00 C ATOM 358 C GLU A 23 10.630 -5.592 -7.549 1.00 0.00 C ATOM 359 O GLU A 23 9.487 -5.822 -7.145 1.00 0.00 O ATOM 360 CB GLU A 23 11.764 -7.763 -8.156 1.00 0.00 C ATOM 361 CG GLU A 23 13.017 -8.645 -8.041 1.00 0.00 C ATOM 362 CD GLU A 23 13.009 -9.591 -6.822 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.040 -9.663 -6.112 1.00 0.00 O ATOM 364 OE2 GLU A 23 11.995 -10.291 -6.581 1.00 0.00 O ATOM 0 H GLU A 23 10.972 -7.507 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 23 12.718 -5.990 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.884 -8.363 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.659 -7.427 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.114 -9.240 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.896 -8.003 -7.984 1.00 0.00 H new ATOM 371 N ILE A 24 10.932 -4.535 -8.302 1.00 0.00 N ATOM 372 CA ILE A 24 9.980 -3.539 -8.803 1.00 0.00 C ATOM 373 C ILE A 24 9.757 -3.798 -10.295 1.00 0.00 C ATOM 374 O ILE A 24 10.635 -3.551 -11.123 1.00 0.00 O ATOM 375 CB ILE A 24 10.495 -2.112 -8.481 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.420 -1.906 -6.949 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.728 -1.006 -9.239 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.822 -0.513 -6.453 1.00 0.00 C ATOM 0 H ILE A 24 11.890 -4.339 -8.594 1.00 0.00 H new ATOM 0 HA ILE A 24 9.011 -3.622 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 24 11.526 -2.028 -8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.400 -2.110 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.062 -2.644 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.136 -0.031 -8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.834 -1.160 -10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.673 -1.045 -8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.734 -0.474 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.853 -0.308 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.165 0.235 -6.897 1.00 0.00 H new ATOM 390 N ASP A 25 8.580 -4.322 -10.638 1.00 0.00 N ATOM 391 CA ASP A 25 8.109 -4.416 -12.021 1.00 0.00 C ATOM 392 C ASP A 25 7.594 -3.040 -12.459 1.00 0.00 C ATOM 393 O ASP A 25 6.625 -2.524 -11.897 1.00 0.00 O ATOM 394 CB ASP A 25 7.020 -5.499 -12.124 1.00 0.00 C ATOM 395 CG ASP A 25 6.386 -5.647 -13.520 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.497 -6.516 -13.669 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.752 -4.899 -14.453 1.00 0.00 O ATOM 0 H ASP A 25 7.920 -4.697 -9.957 1.00 0.00 H new ATOM 0 HA ASP A 25 8.921 -4.707 -12.687 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.451 -6.457 -11.833 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.233 -5.272 -11.405 1.00 0.00 H new ATOM 402 N GLN A 26 8.229 -2.437 -13.464 1.00 0.00 N ATOM 403 CA GLN A 26 7.876 -1.098 -13.941 1.00 0.00 C ATOM 404 C GLN A 26 6.487 -1.030 -14.608 1.00 0.00 C ATOM 405 O GLN A 26 5.955 0.069 -14.785 1.00 0.00 O ATOM 406 CB GLN A 26 8.986 -0.547 -14.855 1.00 0.00 C ATOM 407 CG GLN A 26 10.365 -0.409 -14.172 1.00 0.00 C ATOM 408 CD GLN A 26 10.478 0.738 -13.160 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.518 1.200 -12.555 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.668 1.254 -12.942 1.00 0.00 N ATOM 0 H GLN A 26 9.004 -2.863 -13.972 1.00 0.00 H new ATOM 0 HA GLN A 26 7.799 -0.456 -13.063 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.086 -1.203 -15.720 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.680 0.430 -15.229 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.597 -1.345 -13.664 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.123 -0.269 -14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.482 0.885 -13.434 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.777 2.023 -12.281 1.00 0.00 H new ATOM 419 N LYS A 27 5.868 -2.176 -14.939 1.00 0.00 N ATOM 420 CA LYS A 27 4.487 -2.254 -15.452 1.00 0.00 C ATOM 421 C LYS A 27 3.419 -2.342 -14.344 1.00 0.00 C ATOM 422 O LYS A 27 2.264 -1.996 -14.602 1.00 0.00 O ATOM 423 CB LYS A 27 4.344 -3.440 -16.428 1.00 0.00 C ATOM 424 CG LYS A 27 5.435 -3.592 -17.509 1.00 0.00 C ATOM 425 CD LYS A 27 5.815 -2.332 -18.308 1.00 0.00 C ATOM 426 CE LYS A 27 4.654 -1.581 -18.968 1.00 0.00 C ATOM 427 NZ LYS A 27 3.893 -2.415 -19.932 1.00 0.00 N ATOM 0 H LYS A 27 6.318 -3.088 -14.857 1.00 0.00 H new ATOM 0 HA LYS A 27 4.305 -1.317 -15.978 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.316 -4.359 -15.843 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.380 -3.352 -16.929 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.336 -3.971 -17.028 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.106 -4.354 -18.216 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.333 -1.645 -17.640 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.525 -2.618 -19.084 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.976 -1.221 -18.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.044 -0.704 -19.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.349 -1.799 -20.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.555 -2.992 -20.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.242 -3.038 -19.413 1.00 0.00 H new ATOM 441 N LYS A 28 3.770 -2.781 -13.124 1.00 0.00 N ATOM 442 CA LYS A 28 2.855 -2.841 -11.958 1.00 0.00 C ATOM 443 C LYS A 28 2.616 -1.451 -11.346 1.00 0.00 C ATOM 444 O LYS A 28 3.530 -0.621 -11.364 1.00 0.00 O ATOM 445 CB LYS A 28 3.390 -3.819 -10.891 1.00 0.00 C ATOM 446 CG LYS A 28 3.032 -5.275 -11.225 1.00 0.00 C ATOM 447 CD LYS A 28 3.541 -6.282 -10.179 1.00 0.00 C ATOM 448 CE LYS A 28 2.834 -6.136 -8.823 1.00 0.00 C ATOM 449 NZ LYS A 28 3.295 -7.166 -7.859 1.00 0.00 N ATOM 0 H LYS A 28 4.711 -3.111 -12.910 1.00 0.00 H new ATOM 0 HA LYS A 28 1.895 -3.210 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.473 -3.719 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.977 -3.557 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.949 -5.365 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.450 -5.530 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.394 -7.295 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.614 -6.146 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.025 -5.143 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.756 -6.222 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.706 -7.128 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.215 -8.108 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.287 -6.985 -7.605 1.00 0.00 H new ATOM 463 N PRO A 29 1.428 -1.180 -10.771 1.00 0.00 N ATOM 464 CA PRO A 29 1.142 0.082 -10.094 1.00 0.00 C ATOM 465 C PRO A 29 1.945 0.204 -8.797 1.00 0.00 C ATOM 466 O PRO A 29 2.056 -0.749 -8.023 1.00 0.00 O ATOM 467 CB PRO A 29 -0.366 0.080 -9.820 1.00 0.00 C ATOM 468 CG PRO A 29 -0.724 -1.403 -9.750 1.00 0.00 C ATOM 469 CD PRO A 29 0.294 -2.091 -10.654 1.00 0.00 C ATOM 0 HA PRO A 29 1.429 0.937 -10.706 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.603 0.593 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.917 0.587 -10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.663 -1.777 -8.728 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.743 -1.581 -10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.606 -3.046 -10.231 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.137 -2.302 -11.633 1.00 0.00 H new ATOM 477 N LEU A 30 2.466 1.404 -8.526 1.00 0.00 N ATOM 478 CA LEU A 30 3.267 1.669 -7.327 1.00 0.00 C ATOM 479 C LEU A 30 2.475 1.437 -6.033 1.00 0.00 C ATOM 480 O LEU A 30 3.061 0.979 -5.061 1.00 0.00 O ATOM 481 CB LEU A 30 3.838 3.096 -7.392 1.00 0.00 C ATOM 482 CG LEU A 30 4.960 3.253 -8.435 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.179 4.731 -8.742 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.281 2.654 -7.947 1.00 0.00 C ATOM 0 H LEU A 30 2.345 2.217 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 30 4.093 0.958 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.033 3.792 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.222 3.372 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 30 4.647 2.717 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.974 4.835 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.258 5.161 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.461 5.254 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.045 2.786 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.593 3.158 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.147 1.591 -7.748 1.00 0.00 H new ATOM 496 N SER A 31 1.154 1.655 -6.019 1.00 0.00 N ATOM 497 CA SER A 31 0.303 1.349 -4.855 1.00 0.00 C ATOM 498 C SER A 31 0.344 -0.142 -4.478 1.00 0.00 C ATOM 499 O SER A 31 0.546 -0.477 -3.307 1.00 0.00 O ATOM 500 CB SER A 31 -1.139 1.799 -5.127 1.00 0.00 C ATOM 501 OG SER A 31 -1.951 1.633 -3.975 1.00 0.00 O ATOM 0 H SER A 31 0.643 2.047 -6.810 1.00 0.00 H new ATOM 0 HA SER A 31 0.699 1.902 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.145 2.845 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.553 1.223 -5.954 1.00 0.00 H new ATOM 0 HG SER A 31 -2.864 1.928 -4.173 1.00 0.00 H new ATOM 507 N ALA A 32 0.256 -1.048 -5.465 1.00 0.00 N ATOM 508 CA ALA A 32 0.388 -2.492 -5.227 1.00 0.00 C ATOM 509 C ALA A 32 1.801 -2.871 -4.740 1.00 0.00 C ATOM 510 O ALA A 32 1.949 -3.682 -3.826 1.00 0.00 O ATOM 511 CB ALA A 32 0.023 -3.251 -6.509 1.00 0.00 C ATOM 0 H ALA A 32 0.093 -0.802 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.300 -2.775 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.120 -4.323 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.005 -3.019 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.694 -2.951 -7.313 1.00 0.00 H new ATOM 517 N ILE A 33 2.839 -2.247 -5.307 1.00 0.00 N ATOM 518 CA ILE A 33 4.234 -2.464 -4.891 1.00 0.00 C ATOM 519 C ILE A 33 4.452 -1.973 -3.451 1.00 0.00 C ATOM 520 O ILE A 33 4.985 -2.717 -2.636 1.00 0.00 O ATOM 521 CB ILE A 33 5.212 -1.819 -5.899 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.034 -2.473 -7.292 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.674 -1.945 -5.427 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.899 -1.860 -8.396 1.00 0.00 C ATOM 0 H ILE A 33 2.738 -1.576 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 33 4.443 -3.534 -4.893 1.00 0.00 H new ATOM 0 HB ILE A 33 4.980 -0.756 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.267 -3.535 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.987 -2.397 -7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.334 -1.481 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.790 -1.445 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.933 -2.999 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.710 -2.378 -9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.652 -0.804 -8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.952 -1.960 -8.131 1.00 0.00 H new ATOM 536 N ILE A 34 3.981 -0.775 -3.090 1.00 0.00 N ATOM 537 CA ILE A 34 4.074 -0.212 -1.729 1.00 0.00 C ATOM 538 C ILE A 34 3.349 -1.106 -0.708 1.00 0.00 C ATOM 539 O ILE A 34 3.874 -1.327 0.386 1.00 0.00 O ATOM 540 CB ILE A 34 3.551 1.245 -1.721 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.526 2.179 -2.480 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.358 1.787 -0.293 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.853 3.455 -3.002 1.00 0.00 C ATOM 0 H ILE A 34 3.513 -0.151 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 34 5.120 -0.186 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 34 2.581 1.229 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.347 2.453 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.961 1.636 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.990 2.812 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.636 1.166 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.311 1.767 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.589 4.067 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.050 3.188 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.442 4.018 -2.164 1.00 0.00 H new ATOM 555 N LYS A 35 2.198 -1.694 -1.072 1.00 0.00 N ATOM 556 CA LYS A 35 1.504 -2.699 -0.247 1.00 0.00 C ATOM 557 C LYS A 35 2.356 -3.956 -0.020 1.00 0.00 C ATOM 558 O LYS A 35 2.414 -4.476 1.094 1.00 0.00 O ATOM 559 CB LYS A 35 0.141 -3.027 -0.879 1.00 0.00 C ATOM 560 CG LYS A 35 -0.782 -3.764 0.103 1.00 0.00 C ATOM 561 CD LYS A 35 -2.148 -4.048 -0.540 1.00 0.00 C ATOM 562 CE LYS A 35 -3.176 -4.570 0.474 1.00 0.00 C ATOM 563 NZ LYS A 35 -2.841 -5.927 0.983 1.00 0.00 N ATOM 0 H LYS A 35 1.720 -1.486 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 35 1.336 -2.277 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.339 -2.105 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.291 -3.641 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.318 -4.701 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.916 -3.164 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.527 -3.135 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.025 -4.780 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.238 -3.877 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.161 -4.594 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.566 -6.231 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.808 -6.597 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.914 -5.902 1.453 1.00 0.00 H new ATOM 577 N GLU A 36 3.073 -4.420 -1.043 1.00 0.00 N ATOM 578 CA GLU A 36 4.036 -5.517 -0.947 1.00 0.00 C ATOM 579 C GLU A 36 5.299 -5.148 -0.137 1.00 0.00 C ATOM 580 O GLU A 36 5.904 -6.034 0.471 1.00 0.00 O ATOM 581 CB GLU A 36 4.373 -5.981 -2.373 1.00 0.00 C ATOM 582 CG GLU A 36 3.223 -6.770 -3.019 1.00 0.00 C ATOM 583 CD GLU A 36 3.369 -6.913 -4.548 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.501 -6.906 -5.085 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.339 -7.071 -5.246 1.00 0.00 O ATOM 0 H GLU A 36 2.999 -4.034 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 36 3.585 -6.336 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.606 -5.113 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.268 -6.603 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.175 -7.762 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.279 -6.273 -2.795 1.00 0.00 H new ATOM 592 N VAL A 37 5.678 -3.861 -0.054 1.00 0.00 N ATOM 593 CA VAL A 37 6.723 -3.389 0.876 1.00 0.00 C ATOM 594 C VAL A 37 6.233 -3.475 2.324 1.00 0.00 C ATOM 595 O VAL A 37 6.856 -4.154 3.142 1.00 0.00 O ATOM 596 CB VAL A 37 7.220 -1.950 0.611 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.430 -1.653 1.506 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.670 -1.680 -0.823 1.00 0.00 C ATOM 0 H VAL A 37 5.272 -3.120 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 37 7.569 -4.054 0.703 1.00 0.00 H new ATOM 0 HB VAL A 37 6.358 -1.316 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.780 -0.638 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.141 -1.750 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.229 -2.360 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.001 -0.645 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.493 -2.348 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.837 -1.854 -1.505 1.00 0.00 H new ATOM 608 N CYS A 38 5.132 -2.787 2.654 1.00 0.00 N ATOM 609 CA CYS A 38 4.683 -2.605 4.037 1.00 0.00 C ATOM 610 C CYS A 38 4.272 -3.932 4.698 1.00 0.00 C ATOM 611 O CYS A 38 4.585 -4.148 5.868 1.00 0.00 O ATOM 612 CB CYS A 38 3.584 -1.530 4.073 1.00 0.00 C ATOM 613 SG CYS A 38 2.008 -2.108 3.396 1.00 0.00 S ATOM 0 H CYS A 38 4.527 -2.340 1.965 1.00 0.00 H new ATOM 0 HA CYS A 38 5.517 -2.250 4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.434 -1.206 5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.917 -0.658 3.510 1.00 0.00 H new ATOM 0 HG CYS A 38 2.226 -3.071 2.551 1.00 0.00 H new ATOM 619 N ASP A 39 3.681 -4.866 3.943 1.00 0.00 N ATOM 620 CA ASP A 39 3.363 -6.223 4.411 1.00 0.00 C ATOM 621 C ASP A 39 4.614 -7.018 4.846 1.00 0.00 C ATOM 622 O ASP A 39 4.542 -7.834 5.767 1.00 0.00 O ATOM 623 CB ASP A 39 2.618 -6.962 3.290 1.00 0.00 C ATOM 624 CG ASP A 39 2.106 -8.348 3.717 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.466 -8.462 4.790 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.303 -9.325 2.954 1.00 0.00 O ATOM 0 H ASP A 39 3.406 -4.699 2.975 1.00 0.00 H new ATOM 0 HA ASP A 39 2.737 -6.139 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.774 -6.355 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.282 -7.075 2.433 1.00 0.00 H new ATOM 631 N GLY A 40 5.782 -6.731 4.256 1.00 0.00 N ATOM 632 CA GLY A 40 7.071 -7.326 4.633 1.00 0.00 C ATOM 633 C GLY A 40 7.541 -6.968 6.052 1.00 0.00 C ATOM 634 O GLY A 40 8.296 -7.732 6.659 1.00 0.00 O ATOM 0 H GLY A 40 5.859 -6.065 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.996 -8.410 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.829 -7.004 3.919 1.00 0.00 H new ATOM 638 N TRP A 41 7.051 -5.852 6.606 1.00 0.00 N ATOM 639 CA TRP A 41 7.248 -5.419 7.996 1.00 0.00 C ATOM 640 C TRP A 41 5.935 -5.379 8.809 1.00 0.00 C ATOM 641 O TRP A 41 5.907 -4.856 9.925 1.00 0.00 O ATOM 642 CB TRP A 41 7.989 -4.075 7.987 1.00 0.00 C ATOM 643 CG TRP A 41 9.389 -4.109 7.445 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.391 -4.896 7.902 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.970 -3.321 6.359 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.542 -4.657 7.177 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.347 -3.680 6.228 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.480 -2.334 5.477 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.194 -3.083 5.287 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.323 -1.730 4.525 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.674 -2.099 4.431 1.00 0.00 C ATOM 0 H TRP A 41 6.480 -5.196 6.073 1.00 0.00 H new ATOM 0 HA TRP A 41 7.859 -6.158 8.515 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.408 -3.364 7.399 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.023 -3.692 9.007 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.304 -5.605 8.712 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.426 -5.144 7.326 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.443 -2.038 5.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.232 -3.375 5.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.927 -0.976 3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.313 -1.626 3.700 1.00 0.00 H new ATOM 662 N SER A 42 4.842 -5.932 8.264 1.00 0.00 N ATOM 663 CA SER A 42 3.483 -5.912 8.835 1.00 0.00 C ATOM 664 C SER A 42 2.952 -4.495 9.157 1.00 0.00 C ATOM 665 O SER A 42 2.183 -4.297 10.102 1.00 0.00 O ATOM 666 CB SER A 42 3.391 -6.900 10.011 1.00 0.00 C ATOM 667 OG SER A 42 2.044 -7.173 10.372 1.00 0.00 O ATOM 0 H SER A 42 4.880 -6.428 7.374 1.00 0.00 H new ATOM 0 HA SER A 42 2.797 -6.256 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.890 -7.831 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.921 -6.491 10.871 1.00 0.00 H new ATOM 0 HG SER A 42 1.548 -6.331 10.446 1.00 0.00 H new ATOM 673 N LEU A 43 3.374 -3.485 8.384 1.00 0.00 N ATOM 674 CA LEU A 43 2.943 -2.092 8.523 1.00 0.00 C ATOM 675 C LEU A 43 1.558 -1.904 7.874 1.00 0.00 C ATOM 676 O LEU A 43 1.353 -2.253 6.708 1.00 0.00 O ATOM 677 CB LEU A 43 4.019 -1.181 7.900 1.00 0.00 C ATOM 678 CG LEU A 43 5.341 -1.129 8.686 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.429 -0.509 7.813 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.225 -0.309 9.973 1.00 0.00 C ATOM 0 H LEU A 43 4.042 -3.621 7.625 1.00 0.00 H new ATOM 0 HA LEU A 43 2.836 -1.820 9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.226 -1.525 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.619 -0.170 7.818 1.00 0.00 H new ATOM 0 HG LEU A 43 5.592 -2.154 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.365 -0.472 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.564 -1.113 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.136 0.502 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.185 -0.304 10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.940 0.714 9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.467 -0.752 10.620 1.00 0.00 H new ATOM 692 N ALA A 44 0.601 -1.379 8.641 1.00 0.00 N ATOM 693 CA ALA A 44 -0.796 -1.221 8.231 1.00 0.00 C ATOM 694 C ALA A 44 -1.028 -0.033 7.274 1.00 0.00 C ATOM 695 O ALA A 44 -0.253 0.926 7.248 1.00 0.00 O ATOM 696 CB ALA A 44 -1.655 -1.093 9.497 1.00 0.00 C ATOM 0 H ALA A 44 0.780 -1.044 9.588 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.085 -2.102 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.701 -0.974 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.542 -1.990 10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.332 -0.224 10.070 1.00 0.00 H new ATOM 702 N ASN A 45 -2.147 -0.089 6.539 1.00 0.00 N ATOM 703 CA ASN A 45 -2.712 0.980 5.700 1.00 0.00 C ATOM 704 C ASN A 45 -1.692 1.584 4.710 1.00 0.00 C ATOM 705 O ASN A 45 -1.190 2.697 4.891 1.00 0.00 O ATOM 706 CB ASN A 45 -3.428 2.021 6.589 1.00 0.00 C ATOM 707 CG ASN A 45 -4.567 1.450 7.428 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.016 0.322 7.264 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.089 2.212 8.360 1.00 0.00 N ATOM 0 H ASN A 45 -2.718 -0.934 6.512 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.465 0.541 5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.696 2.479 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.822 2.815 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.856 1.862 8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.728 3.154 8.510 1.00 0.00 H new ATOM 716 N HIS A 46 -1.397 0.847 3.631 1.00 0.00 N ATOM 717 CA HIS A 46 -0.363 1.190 2.648 1.00 0.00 C ATOM 718 C HIS A 46 -0.629 2.512 1.908 1.00 0.00 C ATOM 719 O HIS A 46 0.298 3.102 1.359 1.00 0.00 O ATOM 720 CB HIS A 46 -0.239 0.027 1.657 1.00 0.00 C ATOM 721 CG HIS A 46 -1.350 -0.036 0.642 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.614 -0.602 0.821 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.278 0.504 -0.603 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.264 -0.407 -0.343 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.481 0.252 -1.217 1.00 0.00 N ATOM 0 H HIS A 46 -1.882 -0.024 3.413 1.00 0.00 H new ATOM 0 HA HIS A 46 0.572 1.346 3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.713 0.110 1.133 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.216 -0.910 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.436 1.030 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.273 -0.734 -0.546 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.736 0.518 -2.168 1.00 0.00 H new ATOM 733 N GLU A 47 -1.872 3.008 1.937 1.00 0.00 N ATOM 734 CA GLU A 47 -2.279 4.309 1.386 1.00 0.00 C ATOM 735 C GLU A 47 -1.457 5.478 1.956 1.00 0.00 C ATOM 736 O GLU A 47 -1.232 6.476 1.270 1.00 0.00 O ATOM 737 CB GLU A 47 -3.763 4.583 1.701 1.00 0.00 C ATOM 738 CG GLU A 47 -4.705 3.406 1.411 1.00 0.00 C ATOM 739 CD GLU A 47 -6.190 3.823 1.371 1.00 0.00 C ATOM 740 OE1 GLU A 47 -7.025 3.150 2.023 1.00 0.00 O ATOM 741 OE2 GLU A 47 -6.542 4.805 0.672 1.00 0.00 O ATOM 0 H GLU A 47 -2.649 2.499 2.358 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.107 4.249 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.854 4.853 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.091 5.445 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.433 2.956 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.568 2.640 2.175 1.00 0.00 H new ATOM 748 N TYR A 48 -0.997 5.362 3.206 1.00 0.00 N ATOM 749 CA TYR A 48 -0.202 6.399 3.866 1.00 0.00 C ATOM 750 C TYR A 48 1.231 6.464 3.324 1.00 0.00 C ATOM 751 O TYR A 48 1.893 7.492 3.462 1.00 0.00 O ATOM 752 CB TYR A 48 -0.133 6.128 5.378 1.00 0.00 C ATOM 753 CG TYR A 48 -1.426 5.922 6.154 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.321 5.445 7.474 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.702 6.171 5.603 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.475 5.208 8.239 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.862 5.894 6.350 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.751 5.427 7.677 1.00 0.00 C ATOM 759 OH TYR A 48 -4.866 5.166 8.414 1.00 0.00 O ATOM 0 H TYR A 48 -1.167 4.543 3.789 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.695 7.350 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.483 5.241 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.396 6.963 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.347 5.260 7.902 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.788 6.575 4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.386 4.858 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.837 6.039 5.908 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.664 5.370 7.883 1.00 0.00 H new ATOM 769 N PHE A 49 1.732 5.373 2.745 1.00 0.00 N ATOM 770 CA PHE A 49 3.135 5.190 2.386 1.00 0.00 C ATOM 771 C PHE A 49 3.468 5.554 0.936 1.00 0.00 C ATOM 772 O PHE A 49 2.623 5.548 0.039 1.00 0.00 O ATOM 773 CB PHE A 49 3.558 3.753 2.727 1.00 0.00 C ATOM 774 CG PHE A 49 3.701 3.515 4.217 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.581 3.175 5.001 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.957 3.684 4.832 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.711 3.026 6.393 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.083 3.539 6.224 1.00 0.00 C ATOM 779 CZ PHE A 49 3.963 3.210 7.007 1.00 0.00 C ATOM 0 H PHE A 49 1.153 4.568 2.506 1.00 0.00 H new ATOM 0 HA PHE A 49 3.714 5.898 2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.822 3.058 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.507 3.533 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.620 3.028 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.823 3.925 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.849 2.770 6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.045 3.681 6.694 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.063 3.099 8.077 1.00 0.00 H new ATOM 789 N ALA A 50 4.752 5.835 0.724 1.00 0.00 N ATOM 790 CA ALA A 50 5.404 6.002 -0.564 1.00 0.00 C ATOM 791 C ALA A 50 6.830 5.432 -0.502 1.00 0.00 C ATOM 792 O ALA A 50 7.485 5.455 0.545 1.00 0.00 O ATOM 793 CB ALA A 50 5.406 7.488 -0.950 1.00 0.00 C ATOM 0 H ALA A 50 5.402 5.959 1.500 1.00 0.00 H new ATOM 0 HA ALA A 50 4.858 5.454 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.895 7.612 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.379 7.849 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.945 8.059 -0.194 1.00 0.00 H new ATOM 799 N LEU A 51 7.312 4.913 -1.631 1.00 0.00 N ATOM 800 CA LEU A 51 8.727 4.587 -1.790 1.00 0.00 C ATOM 801 C LEU A 51 9.510 5.883 -2.042 1.00 0.00 C ATOM 802 O LEU A 51 9.011 6.829 -2.656 1.00 0.00 O ATOM 803 CB LEU A 51 8.921 3.562 -2.923 1.00 0.00 C ATOM 804 CG LEU A 51 8.773 2.103 -2.456 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.655 1.182 -3.671 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.990 1.657 -1.635 1.00 0.00 C ATOM 0 H LEU A 51 6.740 4.709 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 51 9.110 4.125 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.194 3.760 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.910 3.698 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 51 7.878 2.042 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.550 0.150 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.781 1.464 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.550 1.275 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.856 0.622 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.890 1.737 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.090 2.295 -0.757 1.00 0.00 H new ATOM 818 N GLN A 52 10.753 5.910 -1.581 1.00 0.00 N ATOM 819 CA GLN A 52 11.677 7.033 -1.709 1.00 0.00 C ATOM 820 C GLN A 52 13.087 6.502 -1.985 1.00 0.00 C ATOM 821 O GLN A 52 13.417 5.378 -1.617 1.00 0.00 O ATOM 822 CB GLN A 52 11.589 7.871 -0.421 1.00 0.00 C ATOM 823 CG GLN A 52 12.286 9.237 -0.503 1.00 0.00 C ATOM 824 CD GLN A 52 12.192 10.008 0.809 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.454 9.498 1.891 1.00 0.00 O ATOM 826 NE2 GLN A 52 11.885 11.283 0.769 1.00 0.00 N ATOM 0 H GLN A 52 11.164 5.118 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 52 11.417 7.678 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.539 8.027 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.027 7.302 0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.334 9.094 -0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.836 9.826 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.664 11.727 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.868 11.831 1.629 1.00 0.00 H new ATOM 835 N HIS A 53 13.934 7.292 -2.634 1.00 0.00 N ATOM 836 CA HIS A 53 15.353 6.968 -2.801 1.00 0.00 C ATOM 837 C HIS A 53 16.128 7.031 -1.477 1.00 0.00 C ATOM 838 O HIS A 53 15.826 7.840 -0.596 1.00 0.00 O ATOM 839 CB HIS A 53 15.989 7.895 -3.843 1.00 0.00 C ATOM 840 CG HIS A 53 15.835 7.402 -5.258 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.694 6.494 -5.882 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.832 7.726 -6.124 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.192 6.298 -7.114 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.078 7.030 -7.287 1.00 0.00 N ATOM 0 H HIS A 53 13.660 8.177 -3.061 1.00 0.00 H new ATOM 0 HA HIS A 53 15.411 5.938 -3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.539 8.884 -3.760 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.050 8.007 -3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.007 8.397 -5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.623 5.645 -7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.512 7.064 -8.135 1.00 0.00 H new ATOM 852 N ALA A 54 17.152 6.181 -1.376 1.00 0.00 N ATOM 853 CA ALA A 54 18.184 6.218 -0.337 1.00 0.00 C ATOM 854 C ALA A 54 19.595 6.352 -0.953 1.00 0.00 C ATOM 855 O ALA A 54 20.496 6.892 -0.308 1.00 0.00 O ATOM 856 CB ALA A 54 18.042 4.980 0.547 1.00 0.00 C ATOM 0 H ALA A 54 17.291 5.419 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 54 18.048 7.101 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.806 4.998 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.055 4.974 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.164 4.083 -0.061 1.00 0.00 H new ATOM 862 N ASP A 55 19.788 5.906 -2.205 1.00 0.00 N ATOM 863 CA ASP A 55 20.988 6.210 -3.003 1.00 0.00 C ATOM 864 C ASP A 55 21.067 7.736 -3.243 1.00 0.00 C ATOM 865 O ASP A 55 22.084 8.375 -2.961 1.00 0.00 O ATOM 866 CB ASP A 55 20.925 5.415 -4.318 1.00 0.00 C ATOM 867 CG ASP A 55 22.167 5.587 -5.213 1.00 0.00 C ATOM 868 OD1 ASP A 55 23.271 5.893 -4.701 1.00 0.00 O ATOM 869 OD2 ASP A 55 22.046 5.382 -6.444 1.00 0.00 O ATOM 0 H ASP A 55 19.112 5.321 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 55 21.894 5.913 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.801 4.357 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.042 5.725 -4.876 1.00 0.00 H new ATOM 874 N SER A 56 19.954 8.328 -3.703 1.00 0.00 N ATOM 875 CA SER A 56 19.719 9.781 -3.698 1.00 0.00 C ATOM 876 C SER A 56 19.070 10.184 -2.359 1.00 0.00 C ATOM 877 O SER A 56 18.429 9.358 -1.703 1.00 0.00 O ATOM 878 CB SER A 56 18.864 10.211 -4.895 1.00 0.00 C ATOM 879 OG SER A 56 18.680 11.615 -4.869 1.00 0.00 O ATOM 0 H SER A 56 19.176 7.799 -4.097 1.00 0.00 H new ATOM 0 HA SER A 56 20.673 10.299 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.348 9.915 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.898 9.707 -4.864 1.00 0.00 H new ATOM 0 HG SER A 56 18.084 11.880 -5.600 1.00 0.00 H new ATOM 885 N SER A 57 19.224 11.439 -1.930 1.00 0.00 N ATOM 886 CA SER A 57 18.870 11.896 -0.576 1.00 0.00 C ATOM 887 C SER A 57 17.391 11.738 -0.193 1.00 0.00 C ATOM 888 O SER A 57 17.098 11.224 0.892 1.00 0.00 O ATOM 889 CB SER A 57 19.279 13.366 -0.397 1.00 0.00 C ATOM 890 OG SER A 57 20.661 13.540 -0.678 1.00 0.00 O ATOM 0 H SER A 57 19.603 12.180 -2.519 1.00 0.00 H new ATOM 0 HA SER A 57 19.422 11.238 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.686 13.997 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.067 13.686 0.623 1.00 0.00 H new ATOM 0 HG SER A 57 20.903 14.482 -0.560 1.00 0.00 H new ATOM 896 N ASN A 58 16.452 12.179 -1.045 1.00 0.00 N ATOM 897 CA ASN A 58 15.029 12.288 -0.672 1.00 0.00 C ATOM 898 C ASN A 58 14.007 12.222 -1.833 1.00 0.00 C ATOM 899 O ASN A 58 12.842 12.572 -1.630 1.00 0.00 O ATOM 900 CB ASN A 58 14.841 13.569 0.173 1.00 0.00 C ATOM 901 CG ASN A 58 15.117 14.847 -0.603 1.00 0.00 C ATOM 902 OD1 ASN A 58 16.212 15.392 -0.585 1.00 0.00 O ATOM 903 ND2 ASN A 58 14.143 15.358 -1.321 1.00 0.00 N ATOM 0 H ASN A 58 16.652 12.468 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 58 14.799 11.391 -0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.821 13.597 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.504 13.526 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.300 16.208 -1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.229 14.905 -1.337 1.00 0.00 H new ATOM 910 N PHE A 59 14.393 11.805 -3.042 1.00 0.00 N ATOM 911 CA PHE A 59 13.466 11.748 -4.186 1.00 0.00 C ATOM 912 C PHE A 59 12.364 10.694 -3.967 1.00 0.00 C ATOM 913 O PHE A 59 12.663 9.504 -3.859 1.00 0.00 O ATOM 914 CB PHE A 59 14.234 11.423 -5.478 1.00 0.00 C ATOM 915 CG PHE A 59 15.307 12.381 -5.972 1.00 0.00 C ATOM 916 CD1 PHE A 59 16.135 11.951 -7.026 1.00 0.00 C ATOM 917 CD2 PHE A 59 15.479 13.677 -5.438 1.00 0.00 C ATOM 918 CE1 PHE A 59 17.133 12.798 -7.539 1.00 0.00 C ATOM 919 CE2 PHE A 59 16.482 14.521 -5.948 1.00 0.00 C ATOM 920 CZ PHE A 59 17.309 14.083 -6.998 1.00 0.00 C ATOM 0 H PHE A 59 15.342 11.500 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 59 12.994 12.726 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 59 14.703 10.449 -5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 59 13.500 11.315 -6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.003 10.964 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 59 14.840 14.020 -4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.764 12.461 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 59 16.618 15.508 -5.532 1.00 0.00 H new ATOM 0 HZ PHE A 59 18.078 14.733 -7.388 1.00 0.00 H new ATOM 930 N TYR A 60 11.092 11.099 -3.924 1.00 0.00 N ATOM 931 CA TYR A 60 9.956 10.166 -3.874 1.00 0.00 C ATOM 932 C TYR A 60 9.767 9.433 -5.214 1.00 0.00 C ATOM 933 O TYR A 60 9.995 9.999 -6.286 1.00 0.00 O ATOM 934 CB TYR A 60 8.667 10.897 -3.475 1.00 0.00 C ATOM 935 CG TYR A 60 8.678 11.448 -2.061 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.832 12.831 -1.835 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.511 10.573 -0.968 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.826 13.336 -0.521 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.506 11.078 0.347 1.00 0.00 C ATOM 940 CZ TYR A 60 8.674 12.460 0.575 1.00 0.00 C ATOM 941 OH TYR A 60 8.672 12.956 1.843 1.00 0.00 O ATOM 0 H TYR A 60 10.818 12.081 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 60 10.181 9.418 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.497 11.718 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.826 10.211 -3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.955 13.504 -2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.387 9.514 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.938 14.397 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.373 10.406 1.182 1.00 0.00 H new ATOM 0 HH TYR A 60 8.556 12.221 2.481 1.00 0.00 H new ATOM 951 N ILE A 61 9.332 8.173 -5.165 1.00 0.00 N ATOM 952 CA ILE A 61 9.012 7.367 -6.348 1.00 0.00 C ATOM 953 C ILE A 61 7.572 7.645 -6.807 1.00 0.00 C ATOM 954 O ILE A 61 6.635 7.616 -6.007 1.00 0.00 O ATOM 955 CB ILE A 61 9.267 5.871 -6.067 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.713 5.581 -5.592 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.935 5.014 -7.299 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.837 6.146 -6.474 1.00 0.00 C ATOM 0 H ILE A 61 9.189 7.674 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 61 9.671 7.651 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 61 8.600 5.600 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.831 5.982 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.841 4.501 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.124 3.964 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.885 5.146 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.560 5.323 -8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.804 5.882 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.758 5.727 -7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.748 7.231 -6.526 1.00 0.00 H new ATOM 970 N THR A 62 7.401 7.902 -8.106 1.00 0.00 N ATOM 971 CA THR A 62 6.129 8.267 -8.762 1.00 0.00 C ATOM 972 C THR A 62 6.092 7.707 -10.187 1.00 0.00 C ATOM 973 O THR A 62 7.124 7.298 -10.723 1.00 0.00 O ATOM 974 CB THR A 62 5.937 9.797 -8.829 1.00 0.00 C ATOM 975 OG1 THR A 62 6.846 10.359 -9.752 1.00 0.00 O ATOM 976 CG2 THR A 62 6.123 10.527 -7.498 1.00 0.00 C ATOM 0 H THR A 62 8.178 7.861 -8.766 1.00 0.00 H new ATOM 0 HA THR A 62 5.324 7.840 -8.164 1.00 0.00 H new ATOM 0 HB THR A 62 4.899 9.932 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.716 11.330 -9.789 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.969 11.596 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.400 10.152 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.133 10.354 -7.126 1.00 0.00 H new ATOM 984 N GLU A 63 4.942 7.749 -10.864 1.00 0.00 N ATOM 985 CA GLU A 63 4.844 7.382 -12.291 1.00 0.00 C ATOM 986 C GLU A 63 5.727 8.256 -13.214 1.00 0.00 C ATOM 987 O GLU A 63 6.034 7.851 -14.337 1.00 0.00 O ATOM 988 CB GLU A 63 3.376 7.439 -12.752 1.00 0.00 C ATOM 989 CG GLU A 63 2.486 6.419 -12.022 1.00 0.00 C ATOM 990 CD GLU A 63 1.037 6.427 -12.552 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.823 6.259 -13.778 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.097 6.581 -11.735 1.00 0.00 O ATOM 0 H GLU A 63 4.055 8.035 -10.449 1.00 0.00 H new ATOM 0 HA GLU A 63 5.223 6.364 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.985 8.442 -12.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.329 7.254 -13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.909 5.421 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.482 6.641 -10.955 1.00 0.00 H new ATOM 999 N LYS A 64 6.171 9.430 -12.737 1.00 0.00 N ATOM 1000 CA LYS A 64 7.087 10.356 -13.429 1.00 0.00 C ATOM 1001 C LYS A 64 8.568 10.197 -13.033 1.00 0.00 C ATOM 1002 O LYS A 64 9.418 10.830 -13.662 1.00 0.00 O ATOM 1003 CB LYS A 64 6.616 11.806 -13.190 1.00 0.00 C ATOM 1004 CG LYS A 64 5.162 12.102 -13.613 1.00 0.00 C ATOM 1005 CD LYS A 64 4.824 11.793 -15.082 1.00 0.00 C ATOM 1006 CE LYS A 64 5.696 12.592 -16.059 1.00 0.00 C ATOM 1007 NZ LYS A 64 5.312 12.336 -17.471 1.00 0.00 N ATOM 0 H LYS A 64 5.890 9.776 -11.819 1.00 0.00 H new ATOM 0 HA LYS A 64 7.045 10.105 -14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.723 12.036 -12.130 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.280 12.481 -13.731 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.492 11.526 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.954 13.155 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.958 10.727 -15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.774 12.019 -15.267 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.603 13.656 -15.843 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.743 12.327 -15.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.922 12.892 -18.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.425 11.324 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.320 12.612 -17.616 1.00 0.00 H new ATOM 1021 N ASN A 65 8.887 9.387 -12.014 1.00 0.00 N ATOM 1022 CA ASN A 65 10.238 9.272 -11.434 1.00 0.00 C ATOM 1023 C ASN A 65 10.732 7.824 -11.201 1.00 0.00 C ATOM 1024 O ASN A 65 11.926 7.602 -10.991 1.00 0.00 O ATOM 1025 CB ASN A 65 10.265 10.113 -10.141 1.00 0.00 C ATOM 1026 CG ASN A 65 11.677 10.405 -9.654 1.00 0.00 C ATOM 1027 OD1 ASN A 65 12.570 10.755 -10.412 1.00 0.00 O ATOM 1028 ND2 ASN A 65 11.929 10.300 -8.371 1.00 0.00 N ATOM 0 H ASN A 65 8.203 8.781 -11.560 1.00 0.00 H new ATOM 0 HA ASN A 65 10.949 9.656 -12.165 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.744 11.055 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.718 9.586 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.862 10.509 -8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.192 10.009 -7.729 1.00 0.00 H new ATOM 1035 N ARG A 66 9.851 6.813 -11.270 1.00 0.00 N ATOM 1036 CA ARG A 66 10.194 5.382 -11.107 1.00 0.00 C ATOM 1037 C ARG A 66 11.207 4.860 -12.133 1.00 0.00 C ATOM 1038 O ARG A 66 11.918 3.897 -11.858 1.00 0.00 O ATOM 1039 CB ARG A 66 8.909 4.535 -11.117 1.00 0.00 C ATOM 1040 CG ARG A 66 8.189 4.512 -12.481 1.00 0.00 C ATOM 1041 CD ARG A 66 6.836 3.797 -12.419 1.00 0.00 C ATOM 1042 NE ARG A 66 6.974 2.395 -11.987 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.993 1.551 -11.743 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.748 1.832 -11.985 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.234 0.380 -11.240 1.00 0.00 N ATOM 0 H ARG A 66 8.858 6.966 -11.444 1.00 0.00 H new ATOM 0 HA ARG A 66 10.693 5.289 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.156 3.513 -10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.224 4.921 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.040 5.535 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.825 4.017 -13.215 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.177 4.326 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.363 3.829 -13.401 1.00 0.00 H new ATOM 0 HE ARG A 66 7.924 2.043 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.497 2.738 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.021 1.146 -11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.193 0.103 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.465 -0.264 -11.056 1.00 0.00 H new ATOM 1059 N ASN A 67 11.310 5.517 -13.289 1.00 0.00 N ATOM 1060 CA ASN A 67 12.274 5.218 -14.353 1.00 0.00 C ATOM 1061 C ASN A 67 13.746 5.379 -13.907 1.00 0.00 C ATOM 1062 O ASN A 67 14.638 4.793 -14.521 1.00 0.00 O ATOM 1063 CB ASN A 67 11.971 6.144 -15.547 1.00 0.00 C ATOM 1064 CG ASN A 67 12.352 7.587 -15.249 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.703 8.272 -14.471 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.448 8.058 -15.796 1.00 0.00 N ATOM 0 H ASN A 67 10.702 6.302 -13.520 1.00 0.00 H new ATOM 0 HA ASN A 67 12.161 4.170 -14.629 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.517 5.797 -16.425 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.910 6.090 -15.790 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.764 9.002 -15.573 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.984 7.480 -16.444 1.00 0.00 H new ATOM 1073 N GLU A 68 14.015 6.170 -12.860 1.00 0.00 N ATOM 1074 CA GLU A 68 15.364 6.354 -12.303 1.00 0.00 C ATOM 1075 C GLU A 68 15.854 5.130 -11.503 1.00 0.00 C ATOM 1076 O GLU A 68 17.061 4.963 -11.306 1.00 0.00 O ATOM 1077 CB GLU A 68 15.398 7.612 -11.417 1.00 0.00 C ATOM 1078 CG GLU A 68 14.985 8.915 -12.128 1.00 0.00 C ATOM 1079 CD GLU A 68 15.770 9.222 -13.420 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.987 8.922 -13.495 1.00 0.00 O ATOM 1081 OE2 GLU A 68 15.175 9.798 -14.364 1.00 0.00 O ATOM 0 H GLU A 68 13.297 6.705 -12.371 1.00 0.00 H new ATOM 0 HA GLU A 68 16.044 6.473 -13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.738 7.456 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.407 7.734 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.923 8.861 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.113 9.747 -11.435 1.00 0.00 H new ATOM 1088 N ILE A 69 14.939 4.256 -11.059 1.00 0.00 N ATOM 1089 CA ILE A 69 15.268 3.001 -10.381 1.00 0.00 C ATOM 1090 C ILE A 69 15.924 2.033 -11.378 1.00 0.00 C ATOM 1091 O ILE A 69 15.419 1.808 -12.481 1.00 0.00 O ATOM 1092 CB ILE A 69 14.022 2.354 -9.733 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.246 3.330 -8.816 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.450 1.113 -8.928 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.889 2.778 -8.361 1.00 0.00 C ATOM 0 H ILE A 69 13.936 4.407 -11.164 1.00 0.00 H new ATOM 0 HA ILE A 69 15.969 3.223 -9.576 1.00 0.00 H new ATOM 0 HB ILE A 69 13.346 2.072 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.853 3.555 -7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.090 4.270 -9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.573 0.656 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.928 0.395 -9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.153 1.409 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.395 3.509 -7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.266 2.579 -9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.040 1.853 -7.805 1.00 0.00 H new ATOM 1107 N LYS A 70 17.036 1.432 -10.954 1.00 0.00 N ATOM 1108 CA LYS A 70 17.845 0.457 -11.699 1.00 0.00 C ATOM 1109 C LYS A 70 18.252 -0.734 -10.825 1.00 0.00 C ATOM 1110 O LYS A 70 18.125 -0.679 -9.601 1.00 0.00 O ATOM 1111 CB LYS A 70 19.037 1.193 -12.341 1.00 0.00 C ATOM 1112 CG LYS A 70 19.960 1.892 -11.322 1.00 0.00 C ATOM 1113 CD LYS A 70 21.064 2.731 -11.984 1.00 0.00 C ATOM 1114 CE LYS A 70 20.556 3.929 -12.807 1.00 0.00 C ATOM 1115 NZ LYS A 70 19.852 4.947 -11.979 1.00 0.00 N ATOM 0 H LYS A 70 17.421 1.621 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 70 17.252 0.016 -12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.624 0.479 -12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.658 1.936 -13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.360 2.535 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.419 1.139 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.736 3.099 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.652 2.084 -12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.400 4.400 -13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.880 3.569 -13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.950 5.883 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.844 4.701 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.269 4.969 -11.027 1.00 0.00 H new ATOM 1129 N ASN A 71 18.727 -1.820 -11.434 1.00 0.00 N ATOM 1130 CA ASN A 71 19.090 -3.051 -10.721 1.00 0.00 C ATOM 1131 C ASN A 71 20.159 -2.780 -9.638 1.00 0.00 C ATOM 1132 O ASN A 71 21.286 -2.388 -9.950 1.00 0.00 O ATOM 1133 CB ASN A 71 19.566 -4.114 -11.734 1.00 0.00 C ATOM 1134 CG ASN A 71 18.542 -4.440 -12.809 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.396 -3.724 -13.788 1.00 0.00 O ATOM 1136 ND2 ASN A 71 17.799 -5.514 -12.664 1.00 0.00 N ATOM 0 H ASN A 71 18.873 -1.874 -12.442 1.00 0.00 H new ATOM 0 HA ASN A 71 18.209 -3.432 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 71 20.481 -3.763 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 71 19.818 -5.028 -11.196 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.100 -5.750 -13.369 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.921 -6.112 -11.847 1.00 0.00 H new ATOM 1143 N GLY A 72 19.801 -2.994 -8.368 1.00 0.00 N ATOM 1144 CA GLY A 72 20.636 -2.730 -7.188 1.00 0.00 C ATOM 1145 C GLY A 72 20.413 -1.368 -6.508 1.00 0.00 C ATOM 1146 O GLY A 72 21.220 -0.984 -5.658 1.00 0.00 O ATOM 0 H GLY A 72 18.886 -3.371 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.456 -3.516 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.683 -2.802 -7.482 1.00 0.00 H new ATOM 1150 N THR A 73 19.355 -0.621 -6.853 1.00 0.00 N ATOM 1151 CA THR A 73 19.053 0.694 -6.239 1.00 0.00 C ATOM 1152 C THR A 73 18.696 0.560 -4.755 1.00 0.00 C ATOM 1153 O THR A 73 17.859 -0.267 -4.382 1.00 0.00 O ATOM 1154 CB THR A 73 17.913 1.423 -6.968 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.289 1.661 -8.299 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.570 2.796 -6.392 1.00 0.00 C ATOM 0 H THR A 73 18.681 -0.905 -7.564 1.00 0.00 H new ATOM 0 HA THR A 73 19.964 1.285 -6.334 1.00 0.00 H new ATOM 0 HB THR A 73 17.048 0.769 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.475 0.808 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.756 3.238 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.263 2.688 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.446 3.443 -6.447 1.00 0.00 H new ATOM 1164 N ILE A 74 19.290 1.408 -3.906 1.00 0.00 N ATOM 1165 CA ILE A 74 18.905 1.538 -2.496 1.00 0.00 C ATOM 1166 C ILE A 74 17.730 2.524 -2.382 1.00 0.00 C ATOM 1167 O ILE A 74 17.836 3.688 -2.783 1.00 0.00 O ATOM 1168 CB ILE A 74 20.086 1.950 -1.587 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.416 1.255 -1.967 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.722 1.625 -0.123 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.621 1.755 -1.164 1.00 0.00 C ATOM 0 H ILE A 74 20.054 2.026 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 74 18.591 0.557 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 74 20.248 3.020 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.311 0.181 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.607 1.411 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.547 1.911 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.827 2.178 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.535 0.556 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.517 1.224 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.753 2.824 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.451 1.574 -0.103 1.00 0.00 H new ATOM 1183 N LEU A 75 16.618 2.057 -1.820 1.00 0.00 N ATOM 1184 CA LEU A 75 15.386 2.805 -1.563 1.00 0.00 C ATOM 1185 C LEU A 75 15.074 2.848 -0.053 1.00 0.00 C ATOM 1186 O LEU A 75 15.802 2.292 0.767 1.00 0.00 O ATOM 1187 CB LEU A 75 14.232 2.167 -2.368 1.00 0.00 C ATOM 1188 CG LEU A 75 14.376 2.178 -3.901 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.114 1.579 -4.521 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.538 3.583 -4.481 1.00 0.00 C ATOM 0 H LEU A 75 16.547 1.087 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 75 15.510 3.838 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.121 1.133 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.308 2.684 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 75 15.273 1.604 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.206 1.582 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.987 0.555 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.248 2.172 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.634 3.520 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.664 4.184 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.431 4.048 -4.064 1.00 0.00 H new ATOM 1202 N ARG A 76 13.972 3.500 0.318 1.00 0.00 N ATOM 1203 CA ARG A 76 13.475 3.701 1.682 1.00 0.00 C ATOM 1204 C ARG A 76 11.947 3.763 1.685 1.00 0.00 C ATOM 1205 O ARG A 76 11.354 4.407 0.818 1.00 0.00 O ATOM 1206 CB ARG A 76 14.116 4.991 2.221 1.00 0.00 C ATOM 1207 CG ARG A 76 13.620 5.401 3.613 1.00 0.00 C ATOM 1208 CD ARG A 76 14.490 6.511 4.218 1.00 0.00 C ATOM 1209 NE ARG A 76 14.461 7.749 3.408 1.00 0.00 N ATOM 1210 CZ ARG A 76 15.485 8.421 2.910 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.725 8.036 3.026 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.258 9.533 2.280 1.00 0.00 N ATOM 0 H ARG A 76 13.360 3.932 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 76 13.748 2.869 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.197 4.860 2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.916 5.803 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.587 5.743 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.626 4.533 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.144 6.732 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.518 6.159 4.303 1.00 0.00 H new ATOM 0 HE ARG A 76 13.536 8.131 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.947 7.173 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.473 8.597 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.302 9.874 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.035 10.065 1.889 1.00 0.00 H new ATOM 1226 N LEU A 77 11.312 3.110 2.655 1.00 0.00 N ATOM 1227 CA LEU A 77 9.879 3.251 2.929 1.00 0.00 C ATOM 1228 C LEU A 77 9.636 4.459 3.848 1.00 0.00 C ATOM 1229 O LEU A 77 10.374 4.673 4.811 1.00 0.00 O ATOM 1230 CB LEU A 77 9.354 1.936 3.529 1.00 0.00 C ATOM 1231 CG LEU A 77 7.866 1.927 3.900 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.994 1.984 2.640 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.518 0.647 4.650 1.00 0.00 C ATOM 0 H LEU A 77 11.782 2.458 3.283 1.00 0.00 H new ATOM 0 HA LEU A 77 9.329 3.441 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.537 1.133 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.935 1.707 4.423 1.00 0.00 H new ATOM 0 HG LEU A 77 7.676 2.799 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.942 1.977 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.214 2.897 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.206 1.119 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.459 0.653 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.733 -0.215 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.113 0.586 5.561 1.00 0.00 H new ATOM 1245 N THR A 78 8.601 5.248 3.562 1.00 0.00 N ATOM 1246 CA THR A 78 8.261 6.461 4.323 1.00 0.00 C ATOM 1247 C THR A 78 6.781 6.823 4.144 1.00 0.00 C ATOM 1248 O THR A 78 6.182 6.487 3.120 1.00 0.00 O ATOM 1249 CB THR A 78 9.201 7.612 3.905 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.923 8.785 4.637 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.132 7.964 2.415 1.00 0.00 C ATOM 0 H THR A 78 7.964 5.065 2.787 1.00 0.00 H new ATOM 0 HA THR A 78 8.408 6.276 5.387 1.00 0.00 H new ATOM 0 HB THR A 78 10.203 7.240 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.533 9.499 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.821 8.781 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.408 7.092 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.117 8.269 2.160 1.00 0.00 H new ATOM 1259 N THR A 79 6.154 7.482 5.123 1.00 0.00 N ATOM 1260 CA THR A 79 4.809 8.058 4.937 1.00 0.00 C ATOM 1261 C THR A 79 4.875 9.274 4.002 1.00 0.00 C ATOM 1262 O THR A 79 5.742 10.143 4.133 1.00 0.00 O ATOM 1263 CB THR A 79 4.103 8.391 6.262 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.934 9.133 7.133 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.649 7.122 6.991 1.00 0.00 C ATOM 0 H THR A 79 6.550 7.632 6.051 1.00 0.00 H new ATOM 0 HA THR A 79 4.194 7.291 4.467 1.00 0.00 H new ATOM 0 HB THR A 79 3.234 8.993 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.449 9.326 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.154 7.395 7.923 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.954 6.569 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.516 6.498 7.210 1.00 0.00 H new ATOM 1273 N SER A 80 3.973 9.317 3.024 1.00 0.00 N ATOM 1274 CA SER A 80 3.986 10.254 1.894 1.00 0.00 C ATOM 1275 C SER A 80 3.711 11.719 2.285 1.00 0.00 C ATOM 1276 O SER A 80 3.125 11.986 3.341 1.00 0.00 O ATOM 1277 CB SER A 80 2.951 9.805 0.851 1.00 0.00 C ATOM 1278 OG SER A 80 1.625 10.021 1.308 1.00 0.00 O ATOM 0 H SER A 80 3.180 8.676 2.992 1.00 0.00 H new ATOM 0 HA SER A 80 4.998 10.230 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.110 10.351 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.093 8.747 0.628 1.00 0.00 H new ATOM 0 HG SER A 80 0.990 9.727 0.622 1.00 0.00 H new ATOM 1284 N PRO A 81 4.050 12.694 1.417 1.00 0.00 N ATOM 1285 CA PRO A 81 3.611 14.082 1.580 1.00 0.00 C ATOM 1286 C PRO A 81 2.081 14.235 1.480 1.00 0.00 C ATOM 1287 O PRO A 81 1.507 15.134 2.099 1.00 0.00 O ATOM 1288 CB PRO A 81 4.324 14.869 0.471 1.00 0.00 C ATOM 1289 CG PRO A 81 5.541 14.010 0.144 1.00 0.00 C ATOM 1290 CD PRO A 81 4.994 12.595 0.313 1.00 0.00 C ATOM 0 HA PRO A 81 3.864 14.453 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.683 15.003 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.615 15.864 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.904 14.188 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.372 14.208 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.504 12.248 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.791 11.886 0.536 1.00 0.00 H new ATOM 1298 N ALA A 82 1.415 13.351 0.726 1.00 0.00 N ATOM 1299 CA ALA A 82 -0.013 13.418 0.410 1.00 0.00 C ATOM 1300 C ALA A 82 -0.937 13.095 1.600 1.00 0.00 C ATOM 1301 O ALA A 82 -1.967 13.753 1.762 1.00 0.00 O ATOM 1302 CB ALA A 82 -0.274 12.468 -0.765 1.00 0.00 C ATOM 0 H ALA A 82 1.874 12.543 0.306 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.255 14.448 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.332 12.494 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.320 12.780 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.004 11.453 -0.481 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.580 12.127 2.459 1.00 0.00 N ATOM 1309 CA GLN A 83 -1.433 11.699 3.588 1.00 0.00 C ATOM 1310 C GLN A 83 -1.640 12.771 4.682 1.00 0.00 C ATOM 1311 O GLN A 83 -2.528 12.628 5.524 1.00 0.00 O ATOM 1312 CB GLN A 83 -0.979 10.342 4.154 1.00 0.00 C ATOM 1313 CG GLN A 83 0.457 10.274 4.689 1.00 0.00 C ATOM 1314 CD GLN A 83 0.740 11.159 5.901 1.00 0.00 C ATOM 1315 OE1 GLN A 83 0.050 11.130 6.911 1.00 0.00 O ATOM 1316 NE2 GLN A 83 1.765 11.978 5.846 1.00 0.00 N ATOM 0 H GLN A 83 0.302 11.619 2.395 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.429 11.562 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.658 10.063 4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.088 9.591 3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.681 9.241 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.140 10.553 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.347 12.011 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.979 12.581 6.640 1.00 0.00 H new ATOM 1325 N ASN A 84 -0.873 13.870 4.649 1.00 0.00 N ATOM 1326 CA ASN A 84 -1.086 15.053 5.496 1.00 0.00 C ATOM 1327 C ASN A 84 -2.371 15.842 5.143 1.00 0.00 C ATOM 1328 O ASN A 84 -2.777 16.728 5.899 1.00 0.00 O ATOM 1329 CB ASN A 84 0.148 15.968 5.393 1.00 0.00 C ATOM 1330 CG ASN A 84 1.445 15.286 5.792 1.00 0.00 C ATOM 1331 OD1 ASN A 84 1.639 14.858 6.923 1.00 0.00 O ATOM 1332 ND2 ASN A 84 2.375 15.152 4.875 1.00 0.00 N ATOM 0 H ASN A 84 -0.074 13.964 4.022 1.00 0.00 H new ATOM 0 HA ASN A 84 -1.223 14.702 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.237 16.330 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.004 16.841 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.256 14.693 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.216 15.507 3.932 1.00 0.00 H new ATOM 1339 N ALA A 85 -3.003 15.539 4.003 1.00 0.00 N ATOM 1340 CA ALA A 85 -4.185 16.212 3.461 1.00 0.00 C ATOM 1341 C ALA A 85 -5.192 15.205 2.857 1.00 0.00 C ATOM 1342 O ALA A 85 -4.990 13.990 2.891 1.00 0.00 O ATOM 1343 CB ALA A 85 -3.692 17.241 2.430 1.00 0.00 C ATOM 0 H ALA A 85 -2.685 14.777 3.404 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.733 16.719 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.546 17.765 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.033 17.959 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.146 16.729 1.637 1.00 0.00 H new ATOM 1349 N GLN A 86 -6.279 15.713 2.268 1.00 0.00 N ATOM 1350 CA GLN A 86 -7.355 14.941 1.623 1.00 0.00 C ATOM 1351 C GLN A 86 -6.954 14.288 0.274 1.00 0.00 C ATOM 1352 O GLN A 86 -7.808 13.760 -0.440 1.00 0.00 O ATOM 1353 CB GLN A 86 -8.602 15.836 1.454 1.00 0.00 C ATOM 1354 CG GLN A 86 -9.170 16.414 2.768 1.00 0.00 C ATOM 1355 CD GLN A 86 -8.505 17.702 3.269 1.00 0.00 C ATOM 1356 OE1 GLN A 86 -7.553 18.232 2.707 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -8.977 18.259 4.364 1.00 0.00 N ATOM 0 H GLN A 86 -6.444 16.719 2.224 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.577 14.105 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.351 16.662 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.383 15.257 0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.234 16.606 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.082 15.655 3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.768 17.838 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.551 19.112 4.726 1.00 0.00 H new ATOM 1366 N GLN A 87 -5.667 14.315 -0.093 1.00 0.00 N ATOM 1367 CA GLN A 87 -5.102 13.814 -1.358 1.00 0.00 C ATOM 1368 C GLN A 87 -4.961 12.272 -1.399 1.00 0.00 C ATOM 1369 O GLN A 87 -3.918 11.731 -1.775 1.00 0.00 O ATOM 1370 CB GLN A 87 -3.769 14.541 -1.642 1.00 0.00 C ATOM 1371 CG GLN A 87 -3.876 16.078 -1.719 1.00 0.00 C ATOM 1372 CD GLN A 87 -4.757 16.602 -2.857 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -5.078 15.922 -3.825 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -5.178 17.848 -2.795 1.00 0.00 N ATOM 0 H GLN A 87 -4.950 14.708 0.516 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.806 14.042 -2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.055 14.279 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.363 14.171 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.270 16.449 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.875 16.493 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.924 18.433 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.758 18.228 -3.543 1.00 0.00 H new ATOM 1383 N LEU A 88 -6.007 11.550 -0.982 1.00 0.00 N ATOM 1384 CA LEU A 88 -6.074 10.083 -0.990 1.00 0.00 C ATOM 1385 C LEU A 88 -6.114 9.528 -2.430 1.00 0.00 C ATOM 1386 O LEU A 88 -6.629 10.167 -3.354 1.00 0.00 O ATOM 1387 CB LEU A 88 -7.291 9.598 -0.174 1.00 0.00 C ATOM 1388 CG LEU A 88 -7.115 9.634 1.359 1.00 0.00 C ATOM 1389 CD1 LEU A 88 -7.061 11.045 1.951 1.00 0.00 C ATOM 1390 CD2 LEU A 88 -8.287 8.905 2.019 1.00 0.00 C ATOM 0 H LEU A 88 -6.856 11.983 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.168 9.700 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.153 10.211 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.524 8.576 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.156 9.155 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.936 10.982 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.220 11.589 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.988 11.571 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.166 8.928 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.221 9.397 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.310 7.870 1.679 1.00 0.00 H new ATOM 1402 N HIS A 89 -5.567 8.324 -2.618 1.00 0.00 N ATOM 1403 CA HIS A 89 -5.404 7.678 -3.930 1.00 0.00 C ATOM 1404 C HIS A 89 -6.724 7.163 -4.529 1.00 0.00 C ATOM 1405 O HIS A 89 -7.649 6.780 -3.808 1.00 0.00 O ATOM 1406 CB HIS A 89 -4.398 6.518 -3.826 1.00 0.00 C ATOM 1407 CG HIS A 89 -3.131 6.867 -3.082 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -2.095 7.681 -3.550 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -2.856 6.496 -1.800 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -1.218 7.778 -2.533 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -1.653 7.076 -1.473 1.00 0.00 N ATOM 0 H HIS A 89 -5.216 7.756 -1.847 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.030 8.448 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.880 5.677 -3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.137 6.186 -4.831 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.464 5.869 -1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.296 8.340 -2.565 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.172 6.988 -0.578 1.00 0.00 H new ATOM 1419 N GLU A 90 -6.780 7.088 -5.859 1.00 0.00 N ATOM 1420 CA GLU A 90 -7.843 6.428 -6.634 1.00 0.00 C ATOM 1421 C GLU A 90 -7.293 5.930 -7.985 1.00 0.00 C ATOM 1422 O GLU A 90 -6.266 6.422 -8.468 1.00 0.00 O ATOM 1423 CB GLU A 90 -9.063 7.354 -6.806 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.818 8.579 -7.702 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.001 9.568 -7.670 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -11.177 9.135 -7.757 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -9.764 10.798 -7.575 1.00 0.00 O ATOM 0 H GLU A 90 -6.061 7.500 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.188 5.556 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.886 6.774 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.382 7.698 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.911 9.089 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.649 8.250 -8.727 1.00 0.00 H new ATOM 1434 N ARG A 91 -7.954 4.938 -8.598 1.00 0.00 N ATOM 1435 CA ARG A 91 -7.488 4.252 -9.820 1.00 0.00 C ATOM 1436 C ARG A 91 -7.763 5.063 -11.100 1.00 0.00 C ATOM 1437 O ARG A 91 -8.585 4.687 -11.938 1.00 0.00 O ATOM 1438 CB ARG A 91 -8.049 2.813 -9.842 1.00 0.00 C ATOM 1439 CG ARG A 91 -7.305 1.916 -10.846 1.00 0.00 C ATOM 1440 CD ARG A 91 -7.806 0.469 -10.768 1.00 0.00 C ATOM 1441 NE ARG A 91 -7.074 -0.403 -11.709 1.00 0.00 N ATOM 1442 CZ ARG A 91 -7.176 -1.718 -11.811 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -7.981 -2.412 -11.057 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -6.461 -2.367 -12.684 1.00 0.00 N ATOM 0 H ARG A 91 -8.845 4.580 -8.255 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.401 4.177 -9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.973 2.380 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.108 2.841 -10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.447 2.300 -11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.235 1.945 -10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.685 0.094 -9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.872 0.438 -10.994 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.423 0.056 -12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.559 -1.942 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.033 -3.425 -11.164 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.818 -1.862 -13.294 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.544 -3.381 -12.758 1.00 0.00 H new ATOM 1458 N ILE A 92 -7.068 6.193 -11.244 1.00 0.00 N ATOM 1459 CA ILE A 92 -7.023 6.999 -12.476 1.00 0.00 C ATOM 1460 C ILE A 92 -6.399 6.178 -13.621 1.00 0.00 C ATOM 1461 O ILE A 92 -5.438 5.432 -13.408 1.00 0.00 O ATOM 1462 CB ILE A 92 -6.249 8.319 -12.233 1.00 0.00 C ATOM 1463 CG1 ILE A 92 -6.856 9.182 -11.101 1.00 0.00 C ATOM 1464 CG2 ILE A 92 -6.120 9.163 -13.515 1.00 0.00 C ATOM 1465 CD1 ILE A 92 -8.310 9.634 -11.313 1.00 0.00 C ATOM 0 H ILE A 92 -6.505 6.587 -10.490 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.039 7.264 -12.767 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.254 8.007 -11.916 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.803 8.617 -10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.235 10.068 -10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.570 10.078 -13.294 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.585 8.592 -14.274 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.113 9.417 -13.885 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.633 10.231 -10.461 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.376 10.233 -12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.953 8.759 -11.407 1.00 0.00 H new ATOM 1477 N GLN A 93 -6.936 6.309 -14.839 1.00 0.00 N ATOM 1478 CA GLN A 93 -6.446 5.594 -16.024 1.00 0.00 C ATOM 1479 C GLN A 93 -4.998 5.985 -16.375 1.00 0.00 C ATOM 1480 O GLN A 93 -4.663 7.169 -16.471 1.00 0.00 O ATOM 1481 CB GLN A 93 -7.420 5.827 -17.197 1.00 0.00 C ATOM 1482 CG GLN A 93 -6.980 5.254 -18.560 1.00 0.00 C ATOM 1483 CD GLN A 93 -6.789 3.735 -18.609 1.00 0.00 C ATOM 1484 OE1 GLN A 93 -7.064 2.992 -17.676 1.00 0.00 O ATOM 1485 NE2 GLN A 93 -6.298 3.207 -19.711 1.00 0.00 N ATOM 0 H GLN A 93 -7.730 6.920 -15.032 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.416 4.526 -15.807 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.384 5.392 -16.936 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.575 6.900 -17.308 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.722 5.533 -19.308 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.043 5.730 -18.848 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.061 3.806 -20.502 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.155 2.199 -19.774 1.00 0.00 H new ATOM 1494 N SER A 94 -4.147 4.980 -16.596 1.00 0.00 N ATOM 1495 CA SER A 94 -2.734 5.121 -16.977 1.00 0.00 C ATOM 1496 C SER A 94 -2.246 3.874 -17.733 1.00 0.00 C ATOM 1497 O SER A 94 -2.806 2.785 -17.573 1.00 0.00 O ATOM 1498 CB SER A 94 -1.880 5.382 -15.725 1.00 0.00 C ATOM 1499 OG SER A 94 -0.527 5.623 -16.068 1.00 0.00 O ATOM 0 H SER A 94 -4.433 4.004 -16.512 1.00 0.00 H new ATOM 0 HA SER A 94 -2.632 5.973 -17.649 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.278 6.239 -15.182 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.941 4.524 -15.055 1.00 0.00 H new ATOM 0 HG SER A 94 -0.021 5.855 -15.261 1.00 0.00 H new ATOM 1505 N SER A 95 -1.218 4.024 -18.570 1.00 0.00 N ATOM 1506 CA SER A 95 -0.625 2.949 -19.384 1.00 0.00 C ATOM 1507 C SER A 95 0.859 3.206 -19.689 1.00 0.00 C ATOM 1508 O SER A 95 1.351 4.333 -19.570 1.00 0.00 O ATOM 1509 CB SER A 95 -1.425 2.755 -20.684 1.00 0.00 C ATOM 1510 OG SER A 95 -1.366 3.900 -21.523 1.00 0.00 O ATOM 0 H SER A 95 -0.757 4.923 -18.708 1.00 0.00 H new ATOM 0 HA SER A 95 -0.677 2.031 -18.799 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.037 1.891 -21.223 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.465 2.538 -20.440 1.00 0.00 H new ATOM 0 HG SER A 95 -1.885 3.735 -22.338 1.00 0.00 H new ATOM 1516 N SER A 96 1.586 2.150 -20.066 1.00 0.00 N ATOM 1517 CA SER A 96 3.027 2.182 -20.356 1.00 0.00 C ATOM 1518 C SER A 96 3.421 1.070 -21.337 1.00 0.00 C ATOM 1519 O SER A 96 2.942 -0.064 -21.225 1.00 0.00 O ATOM 1520 CB SER A 96 3.809 2.052 -19.040 1.00 0.00 C ATOM 1521 OG SER A 96 5.208 2.016 -19.262 1.00 0.00 O ATOM 0 H SER A 96 1.179 1.222 -20.182 1.00 0.00 H new ATOM 0 HA SER A 96 3.272 3.132 -20.830 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.566 2.891 -18.388 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.500 1.145 -18.521 1.00 0.00 H new ATOM 0 HG SER A 96 5.673 1.935 -18.403 1.00 0.00 H new ATOM 1527 N MET A 97 4.295 1.382 -22.298 1.00 0.00 N ATOM 1528 CA MET A 97 4.847 0.427 -23.268 1.00 0.00 C ATOM 1529 C MET A 97 6.015 -0.387 -22.675 1.00 0.00 C ATOM 1530 O MET A 97 6.768 0.105 -21.831 1.00 0.00 O ATOM 1531 CB MET A 97 5.247 1.190 -24.544 1.00 0.00 C ATOM 1532 CG MET A 97 5.766 0.299 -25.681 1.00 0.00 C ATOM 1533 SD MET A 97 4.665 -1.047 -26.216 1.00 0.00 S ATOM 1534 CE MET A 97 3.290 -0.096 -26.925 1.00 0.00 C ATOM 0 H MET A 97 4.649 2.330 -22.428 1.00 0.00 H new ATOM 0 HA MET A 97 4.084 -0.308 -23.525 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.384 1.750 -24.903 1.00 0.00 H new ATOM 0 HB3 MET A 97 6.017 1.919 -24.290 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.976 0.932 -26.543 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.714 -0.138 -25.368 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.545 -0.781 -27.331 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.834 0.518 -26.149 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.665 0.546 -27.722 1.00 0.00 H new ATOM 1544 N ASP A 98 6.181 -1.634 -23.119 1.00 0.00 N ATOM 1545 CA ASP A 98 7.298 -2.507 -22.722 1.00 0.00 C ATOM 1546 C ASP A 98 8.657 -1.990 -23.243 1.00 0.00 C ATOM 1547 O ASP A 98 8.738 -1.390 -24.319 1.00 0.00 O ATOM 1548 CB ASP A 98 7.058 -3.949 -23.203 1.00 0.00 C ATOM 1549 CG ASP A 98 5.785 -4.625 -22.655 1.00 0.00 C ATOM 1550 OD1 ASP A 98 5.461 -5.738 -23.135 1.00 0.00 O ATOM 1551 OD2 ASP A 98 5.097 -4.062 -21.769 1.00 0.00 O ATOM 0 H ASP A 98 5.536 -2.077 -23.774 1.00 0.00 H new ATOM 0 HA ASP A 98 7.339 -2.496 -21.633 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.008 -3.947 -24.292 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.920 -4.555 -22.924 1.00 0.00 H new ATOM 1556 N ALA A 99 9.736 -2.255 -22.501 1.00 0.00 N ATOM 1557 CA ALA A 99 11.100 -1.794 -22.784 1.00 0.00 C ATOM 1558 C ALA A 99 12.125 -2.955 -22.814 1.00 0.00 C ATOM 1559 O ALA A 99 13.311 -2.766 -22.521 1.00 0.00 O ATOM 1560 CB ALA A 99 11.454 -0.673 -21.794 1.00 0.00 C ATOM 0 H ALA A 99 9.682 -2.819 -21.653 1.00 0.00 H new ATOM 0 HA ALA A 99 11.146 -1.382 -23.792 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.466 -0.319 -21.991 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.752 0.152 -21.912 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.396 -1.056 -20.775 1.00 0.00 H new ATOM 1566 N LYS A 100 11.667 -4.163 -23.181 1.00 0.00 N ATOM 1567 CA LYS A 100 12.463 -5.401 -23.257 1.00 0.00 C ATOM 1568 C LYS A 100 13.707 -5.227 -24.142 1.00 0.00 C ATOM 1569 O LYS A 100 13.593 -4.883 -25.322 1.00 0.00 O ATOM 1570 CB LYS A 100 11.559 -6.540 -23.761 1.00 0.00 C ATOM 1571 CG LYS A 100 12.264 -7.909 -23.761 1.00 0.00 C ATOM 1572 CD LYS A 100 11.370 -9.036 -24.302 1.00 0.00 C ATOM 1573 CE LYS A 100 11.098 -8.888 -25.807 1.00 0.00 C ATOM 1574 NZ LYS A 100 10.290 -10.022 -26.331 1.00 0.00 N ATOM 0 H LYS A 100 10.693 -4.311 -23.444 1.00 0.00 H new ATOM 0 HA LYS A 100 12.834 -5.650 -22.263 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.669 -6.595 -23.134 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.223 -6.310 -24.772 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.169 -7.847 -24.365 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.575 -8.153 -22.745 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.847 -9.998 -24.113 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.423 -9.038 -23.762 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.574 -7.951 -25.992 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.044 -8.835 -26.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.125 -9.890 -27.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.802 -10.914 -26.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.377 -10.056 -25.834 1.00 0.00 H new ATOM 1588 N LEU A 101 14.886 -5.489 -23.573 1.00 0.00 N ATOM 1589 CA LEU A 101 16.198 -5.355 -24.219 1.00 0.00 C ATOM 1590 C LEU A 101 17.244 -6.234 -23.508 1.00 0.00 C ATOM 1591 O LEU A 101 17.249 -6.324 -22.278 1.00 0.00 O ATOM 1592 CB LEU A 101 16.595 -3.862 -24.200 1.00 0.00 C ATOM 1593 CG LEU A 101 17.953 -3.519 -24.841 1.00 0.00 C ATOM 1594 CD1 LEU A 101 17.982 -3.827 -26.341 1.00 0.00 C ATOM 1595 CD2 LEU A 101 18.247 -2.029 -24.660 1.00 0.00 C ATOM 0 H LEU A 101 14.958 -5.814 -22.609 1.00 0.00 H new ATOM 0 HA LEU A 101 16.150 -5.699 -25.252 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.819 -3.293 -24.712 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.608 -3.522 -23.164 1.00 0.00 H new ATOM 0 HG LEU A 101 18.703 -4.134 -24.344 1.00 0.00 H new ATOM 0 HD11 LEU A 101 18.960 -3.568 -26.747 1.00 0.00 H new ATOM 0 HD12 LEU A 101 17.794 -4.889 -26.498 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.213 -3.243 -26.847 1.00 0.00 H new ATOM 0 HD21 LEU A 101 19.208 -1.790 -25.115 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.463 -1.443 -25.139 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.279 -1.791 -23.597 1.00 0.00 H new ATOM 1607 N GLU A 102 18.141 -6.870 -24.265 1.00 0.00 N ATOM 1608 CA GLU A 102 19.268 -7.640 -23.715 1.00 0.00 C ATOM 1609 C GLU A 102 20.320 -6.714 -23.069 1.00 0.00 C ATOM 1610 O GLU A 102 20.746 -5.728 -23.679 1.00 0.00 O ATOM 1611 CB GLU A 102 19.878 -8.515 -24.828 1.00 0.00 C ATOM 1612 CG GLU A 102 21.099 -9.365 -24.432 1.00 0.00 C ATOM 1613 CD GLU A 102 20.757 -10.516 -23.464 1.00 0.00 C ATOM 1614 OE1 GLU A 102 21.002 -11.697 -23.815 1.00 0.00 O ATOM 1615 OE2 GLU A 102 20.263 -10.252 -22.341 1.00 0.00 O ATOM 0 H GLU A 102 18.109 -6.867 -25.284 1.00 0.00 H new ATOM 0 HA GLU A 102 18.903 -8.292 -22.921 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.102 -9.183 -25.202 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.166 -7.866 -25.655 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.551 -9.780 -25.333 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.846 -8.721 -23.969 1.00 0.00 H new ATOM 1622 N ALA A 103 20.748 -7.028 -21.842 1.00 0.00 N ATOM 1623 CA ALA A 103 21.659 -6.201 -21.042 1.00 0.00 C ATOM 1624 C ALA A 103 22.478 -7.025 -20.026 1.00 0.00 C ATOM 1625 O ALA A 103 22.069 -8.111 -19.607 1.00 0.00 O ATOM 1626 CB ALA A 103 20.839 -5.110 -20.334 1.00 0.00 C ATOM 0 H ALA A 103 20.464 -7.884 -21.366 1.00 0.00 H new ATOM 0 HA ALA A 103 22.388 -5.747 -21.713 1.00 0.00 H new ATOM 0 HB1 ALA A 103 21.503 -4.487 -19.735 1.00 0.00 H new ATOM 0 HB2 ALA A 103 20.335 -4.493 -21.078 1.00 0.00 H new ATOM 0 HB3 ALA A 103 20.096 -5.576 -19.686 1.00 0.00 H new ATOM 1632 N LEU A 104 23.628 -6.479 -19.611 1.00 0.00 N ATOM 1633 CA LEU A 104 24.565 -7.053 -18.632 1.00 0.00 C ATOM 1634 C LEU A 104 25.083 -5.975 -17.658 1.00 0.00 C ATOM 1635 O LEU A 104 25.039 -4.777 -17.958 1.00 0.00 O ATOM 1636 CB LEU A 104 25.743 -7.730 -19.368 1.00 0.00 C ATOM 1637 CG LEU A 104 25.387 -8.965 -20.221 1.00 0.00 C ATOM 1638 CD1 LEU A 104 26.612 -9.405 -21.023 1.00 0.00 C ATOM 1639 CD2 LEU A 104 24.940 -10.151 -19.361 1.00 0.00 C ATOM 0 H LEU A 104 23.948 -5.578 -19.966 1.00 0.00 H new ATOM 0 HA LEU A 104 24.034 -7.802 -18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 104 26.215 -6.990 -20.015 1.00 0.00 H new ATOM 0 HB3 LEU A 104 26.486 -8.026 -18.628 1.00 0.00 H new ATOM 0 HG LEU A 104 24.565 -8.675 -20.876 1.00 0.00 H new ATOM 0 HD11 LEU A 104 26.359 -10.278 -21.625 1.00 0.00 H new ATOM 0 HD12 LEU A 104 26.930 -8.593 -21.677 1.00 0.00 H new ATOM 0 HD13 LEU A 104 27.422 -9.659 -20.340 1.00 0.00 H new ATOM 0 HD21 LEU A 104 24.700 -10.997 -20.005 1.00 0.00 H new ATOM 0 HD22 LEU A 104 25.744 -10.430 -18.680 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.058 -9.871 -18.785 1.00 0.00 H new ATOM 1651 N LYS A 105 25.602 -6.408 -16.501 1.00 0.00 N ATOM 1652 CA LYS A 105 26.184 -5.558 -15.446 1.00 0.00 C ATOM 1653 C LYS A 105 27.378 -6.256 -14.779 1.00 0.00 C ATOM 1654 O LYS A 105 27.369 -7.470 -14.577 1.00 0.00 O ATOM 1655 CB LYS A 105 25.078 -5.183 -14.437 1.00 0.00 C ATOM 1656 CG LYS A 105 25.544 -4.189 -13.358 1.00 0.00 C ATOM 1657 CD LYS A 105 24.454 -3.925 -12.307 1.00 0.00 C ATOM 1658 CE LYS A 105 24.982 -2.919 -11.276 1.00 0.00 C ATOM 1659 NZ LYS A 105 24.079 -2.794 -10.102 1.00 0.00 N ATOM 0 H LYS A 105 25.630 -7.399 -16.262 1.00 0.00 H new ATOM 0 HA LYS A 105 26.574 -4.638 -15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.235 -4.752 -14.977 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.716 -6.090 -13.953 1.00 0.00 H new ATOM 0 HG2 LYS A 105 26.435 -4.580 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 105 25.827 -3.248 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.556 -3.535 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 105 24.174 -4.856 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.971 -3.230 -10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.098 -1.944 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.360 -1.969 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.099 -2.672 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.145 -3.653 -9.520 1.00 0.00 H new ATOM 1673 N ASP A 106 28.401 -5.484 -14.420 1.00 0.00 N ATOM 1674 CA ASP A 106 29.585 -5.919 -13.671 1.00 0.00 C ATOM 1675 C ASP A 106 29.317 -5.942 -12.149 1.00 0.00 C ATOM 1676 O ASP A 106 29.749 -5.057 -11.403 1.00 0.00 O ATOM 1677 CB ASP A 106 30.806 -5.049 -14.045 1.00 0.00 C ATOM 1678 CG ASP A 106 30.646 -3.517 -13.907 1.00 0.00 C ATOM 1679 OD1 ASP A 106 29.516 -2.975 -14.003 1.00 0.00 O ATOM 1680 OD2 ASP A 106 31.687 -2.831 -13.759 1.00 0.00 O ATOM 0 H ASP A 106 28.432 -4.491 -14.653 1.00 0.00 H new ATOM 0 HA ASP A 106 29.816 -6.946 -13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 106 31.646 -5.359 -13.423 1.00 0.00 H new ATOM 0 HB3 ASP A 106 31.075 -5.270 -15.078 1.00 0.00 H new ATOM 1685 N LEU A 107 28.583 -6.959 -11.680 1.00 0.00 N ATOM 1686 CA LEU A 107 28.316 -7.191 -10.252 1.00 0.00 C ATOM 1687 C LEU A 107 29.611 -7.462 -9.459 1.00 0.00 C ATOM 1688 O LEU A 107 30.590 -7.999 -9.984 1.00 0.00 O ATOM 1689 CB LEU A 107 27.329 -8.369 -10.058 1.00 0.00 C ATOM 1690 CG LEU A 107 25.834 -8.132 -10.346 1.00 0.00 C ATOM 1691 CD1 LEU A 107 25.252 -6.980 -9.522 1.00 0.00 C ATOM 1692 CD2 LEU A 107 25.529 -7.873 -11.818 1.00 0.00 C ATOM 0 H LEU A 107 28.151 -7.654 -12.289 1.00 0.00 H new ATOM 0 HA LEU A 107 27.866 -6.278 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 107 27.663 -9.189 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 107 27.418 -8.709 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 107 25.358 -9.068 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 107 24.196 -6.856 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 107 25.357 -7.203 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 107 25.788 -6.060 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 107 24.458 -7.715 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 107 26.069 -6.986 -12.151 1.00 0.00 H new ATOM 0 HD23 LEU A 107 25.842 -8.732 -12.411 1.00 0.00 H new ATOM 1704 N ALA A 108 29.591 -7.157 -8.157 1.00 0.00 N ATOM 1705 CA ALA A 108 30.717 -7.398 -7.245 1.00 0.00 C ATOM 1706 C ALA A 108 31.109 -8.889 -7.125 1.00 0.00 C ATOM 1707 O ALA A 108 32.254 -9.203 -6.797 1.00 0.00 O ATOM 1708 CB ALA A 108 30.352 -6.807 -5.878 1.00 0.00 C ATOM 0 H ALA A 108 28.784 -6.731 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 108 31.601 -6.910 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 108 31.172 -6.972 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 108 30.172 -5.737 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 108 29.451 -7.291 -5.501 1.00 0.00 H new ATOM 1714 N SER A 109 30.193 -9.811 -7.442 1.00 0.00 N ATOM 1715 CA SER A 109 30.425 -11.264 -7.473 1.00 0.00 C ATOM 1716 C SER A 109 31.442 -11.718 -8.537 1.00 0.00 C ATOM 1717 O SER A 109 31.999 -12.812 -8.413 1.00 0.00 O ATOM 1718 CB SER A 109 29.087 -11.980 -7.694 1.00 0.00 C ATOM 1719 OG SER A 109 28.478 -11.549 -8.903 1.00 0.00 O ATOM 0 H SER A 109 29.237 -9.560 -7.693 1.00 0.00 H new ATOM 0 HA SER A 109 30.862 -11.531 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 109 29.247 -13.058 -7.726 1.00 0.00 H new ATOM 0 HB3 SER A 109 28.420 -11.782 -6.855 1.00 0.00 H new ATOM 0 HG SER A 109 27.627 -12.019 -9.026 1.00 0.00 H new ATOM 1725 N LEU A 110 31.734 -10.893 -9.554 1.00 0.00 N ATOM 1726 CA LEU A 110 32.803 -11.145 -10.533 1.00 0.00 C ATOM 1727 C LEU A 110 34.213 -10.890 -9.954 1.00 0.00 C ATOM 1728 O LEU A 110 35.194 -11.406 -10.500 1.00 0.00 O ATOM 1729 CB LEU A 110 32.578 -10.285 -11.798 1.00 0.00 C ATOM 1730 CG LEU A 110 31.484 -10.729 -12.794 1.00 0.00 C ATOM 1731 CD1 LEU A 110 31.747 -12.129 -13.356 1.00 0.00 C ATOM 1732 CD2 LEU A 110 30.060 -10.691 -12.240 1.00 0.00 C ATOM 0 H LEU A 110 31.229 -10.023 -9.722 1.00 0.00 H new ATOM 0 HA LEU A 110 32.755 -12.202 -10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 110 32.343 -9.271 -11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 110 33.522 -10.236 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 110 31.548 -9.984 -13.587 1.00 0.00 H new ATOM 0 HD11 LEU A 110 30.952 -12.397 -14.051 1.00 0.00 H new ATOM 0 HD12 LEU A 110 32.704 -12.138 -13.878 1.00 0.00 H new ATOM 0 HD13 LEU A 110 31.773 -12.850 -12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 110 29.361 -11.019 -13.010 1.00 0.00 H new ATOM 0 HD22 LEU A 110 29.987 -11.354 -11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 110 29.814 -9.673 -11.937 1.00 0.00 H new ATOM 1744 N SER A 111 34.336 -10.118 -8.866 1.00 0.00 N ATOM 1745 CA SER A 111 35.619 -9.833 -8.206 1.00 0.00 C ATOM 1746 C SER A 111 36.216 -11.095 -7.567 1.00 0.00 C ATOM 1747 O SER A 111 35.511 -11.857 -6.893 1.00 0.00 O ATOM 1748 CB SER A 111 35.459 -8.723 -7.161 1.00 0.00 C ATOM 1749 OG SER A 111 36.727 -8.363 -6.637 1.00 0.00 O ATOM 0 H SER A 111 33.540 -9.669 -8.414 1.00 0.00 H new ATOM 0 HA SER A 111 36.313 -9.489 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 111 34.983 -7.853 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 111 34.807 -9.061 -6.356 1.00 0.00 H new ATOM 0 HG SER A 111 36.616 -7.652 -5.971 1.00 0.00 H new ATOM 1755 N ARG A 112 37.512 -11.333 -7.803 1.00 0.00 N ATOM 1756 CA ARG A 112 38.226 -12.580 -7.475 1.00 0.00 C ATOM 1757 C ARG A 112 39.744 -12.385 -7.384 1.00 0.00 C ATOM 1758 O ARG A 112 40.294 -11.442 -7.958 1.00 0.00 O ATOM 1759 CB ARG A 112 37.851 -13.663 -8.510 1.00 0.00 C ATOM 1760 CG ARG A 112 38.255 -13.319 -9.956 1.00 0.00 C ATOM 1761 CD ARG A 112 37.541 -14.241 -10.950 1.00 0.00 C ATOM 1762 NE ARG A 112 37.981 -13.997 -12.338 1.00 0.00 N ATOM 1763 CZ ARG A 112 37.562 -13.053 -13.165 1.00 0.00 C ATOM 1764 NH1 ARG A 112 36.678 -12.154 -12.832 1.00 0.00 N ATOM 1765 NH2 ARG A 112 38.039 -12.992 -14.375 1.00 0.00 N ATOM 0 H ARG A 112 38.117 -10.640 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 112 37.913 -12.904 -6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 112 38.326 -14.602 -8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 112 36.774 -13.827 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 112 38.005 -12.280 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 112 39.334 -13.418 -10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 112 37.734 -15.280 -10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 112 36.464 -14.089 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 112 38.692 -14.631 -12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 112 36.275 -12.157 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 112 36.389 -11.447 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 112 38.734 -13.671 -14.684 1.00 0.00 H new ATOM 0 HH22 ARG A 112 37.717 -12.265 -15.014 1.00 0.00 H new ATOM 1779 N ASP A 113 40.414 -13.283 -6.660 1.00 0.00 N ATOM 1780 CA ASP A 113 41.878 -13.351 -6.499 1.00 0.00 C ATOM 1781 C ASP A 113 42.608 -13.827 -7.775 1.00 0.00 C ATOM 1782 O ASP A 113 42.149 -14.798 -8.420 1.00 0.00 O ATOM 1783 CB ASP A 113 42.238 -14.257 -5.301 1.00 0.00 C ATOM 1784 CG ASP A 113 41.670 -15.697 -5.344 1.00 0.00 C ATOM 1785 OD1 ASP A 113 40.429 -15.874 -5.452 1.00 0.00 O ATOM 1786 OD2 ASP A 113 42.462 -16.661 -5.194 1.00 0.00 O ATOM 1787 OXT ASP A 113 43.652 -13.228 -8.117 1.00 0.00 O ATOM 0 H ASP A 113 39.934 -14.020 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 113 42.222 -12.335 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 113 43.324 -14.318 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 113 41.886 -13.776 -4.388 1.00 0.00 H new TER 1792 ASP A 113