USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 725 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 65 ASN : amide:sc= -2.08 K(o=-2.1,f=-7.1!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 47 ASN : amide:sc= 0.571 K(o=1.6,f=-16!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -129:sc= 1.25 (180deg=0) USER MOD Set 2.3: A 51 ASN : amide:sc= -0.246 K(o=1.6,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.04 (180deg=-0.54) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -58:sc= 0.611 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 31:sc= 0.00727 USER MOD Single : A 18 TYR OH : rot 50:sc= -0.153 USER MOD Single : A 22 MET CE :methyl -149:sc= -2.89! (180deg=-5.22!) USER MOD Single : A 23 THR OG1 : rot -59:sc= 0.913 USER MOD Single : A 24 THR OG1 : rot -80:sc= -2.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -122:sc= 1.18 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 58:sc= 1.23 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.502 USER MOD Single : A 58 ASN : amide:sc= -0.688 K(o=-0.69,f=-7.7!) USER MOD Single : A 60 SER OG : rot -102:sc= -0.835 USER MOD Single : A 61 MET CE :methyl -134:sc= -0.221 (180deg=-3.14!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.1) USER MOD Single : A 74 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 138:sc= -0.152 (180deg=-2.5!) USER MOD Single : A 77 SER OG : rot -51:sc= -0.117 USER MOD Single : A 78 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.1!) USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00174) USER MOD Single : A 84 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 85 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.583 -17.029 9.552 1.00 0.00 N ATOM 2 CA MET A 1 -27.724 -17.952 9.318 1.00 0.00 C ATOM 3 C MET A 1 -27.544 -18.735 8.019 1.00 0.00 C ATOM 4 O MET A 1 -26.846 -18.290 7.109 1.00 0.00 O ATOM 5 CB MET A 1 -29.012 -17.129 9.266 1.00 0.00 C ATOM 6 CG MET A 1 -29.072 -16.165 8.092 1.00 0.00 C ATOM 7 SD MET A 1 -29.900 -14.618 8.504 1.00 0.00 S ATOM 8 CE MET A 1 -28.561 -13.713 9.277 1.00 0.00 C ATOM 0 H1 MET A 1 -26.936 -16.134 9.946 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.917 -17.464 10.222 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.097 -16.843 8.652 1.00 0.00 H new ATOM 0 HA MET A 1 -27.773 -18.676 10.132 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.864 -17.807 9.213 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.111 -16.565 10.194 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.059 -15.951 7.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.594 -16.642 7.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.917 -12.731 9.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.206 -14.263 10.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.744 -13.594 8.565 1.00 0.00 H new ATOM 20 N PRO A 2 -28.177 -19.916 7.917 1.00 0.00 N ATOM 21 CA PRO A 2 -28.084 -20.761 6.722 1.00 0.00 C ATOM 22 C PRO A 2 -28.679 -20.085 5.491 1.00 0.00 C ATOM 23 O PRO A 2 -28.282 -20.371 4.361 1.00 0.00 O ATOM 24 CB PRO A 2 -28.896 -22.008 7.092 1.00 0.00 C ATOM 25 CG PRO A 2 -29.790 -21.573 8.201 1.00 0.00 C ATOM 26 CD PRO A 2 -29.030 -20.520 8.956 1.00 0.00 C ATOM 0 HA PRO A 2 -27.049 -20.978 6.460 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -29.472 -22.371 6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -28.245 -22.823 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -30.728 -21.175 7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -30.044 -22.412 8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -29.698 -19.786 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -28.438 -20.951 9.764 1.00 0.00 H new ATOM 34 N SER A 3 -29.632 -19.187 5.715 1.00 0.00 N ATOM 35 CA SER A 3 -30.280 -18.469 4.624 1.00 0.00 C ATOM 36 C SER A 3 -29.354 -17.405 4.047 1.00 0.00 C ATOM 37 O SER A 3 -28.271 -17.156 4.577 1.00 0.00 O ATOM 38 CB SER A 3 -31.578 -17.823 5.110 1.00 0.00 C ATOM 39 OG SER A 3 -32.669 -18.723 5.002 1.00 0.00 O ATOM 0 H SER A 3 -29.973 -18.939 6.644 1.00 0.00 H new ATOM 0 HA SER A 3 -30.512 -19.187 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.464 -17.507 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.783 -16.927 4.525 1.00 0.00 H new ATOM 0 HG SER A 3 -33.486 -18.286 5.321 1.00 0.00 H new ATOM 45 N ASP A 4 -29.786 -16.777 2.958 1.00 0.00 N ATOM 46 CA ASP A 4 -28.995 -15.739 2.309 1.00 0.00 C ATOM 47 C ASP A 4 -29.881 -14.580 1.859 1.00 0.00 C ATOM 48 O ASP A 4 -31.088 -14.742 1.684 1.00 0.00 O ATOM 49 CB ASP A 4 -28.238 -16.319 1.111 1.00 0.00 C ATOM 50 CG ASP A 4 -26.768 -15.952 1.124 1.00 0.00 C ATOM 51 OD1 ASP A 4 -26.162 -15.966 2.216 1.00 0.00 O ATOM 52 OD2 ASP A 4 -26.222 -15.651 0.042 1.00 0.00 O ATOM 0 H ASP A 4 -30.680 -16.969 2.507 1.00 0.00 H new ATOM 0 HA ASP A 4 -28.275 -15.359 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -28.339 -17.404 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -28.692 -15.957 0.188 1.00 0.00 H new ATOM 57 N SER A 5 -29.272 -13.413 1.671 1.00 0.00 N ATOM 58 CA SER A 5 -30.005 -12.229 1.240 1.00 0.00 C ATOM 59 C SER A 5 -29.051 -11.075 0.950 1.00 0.00 C ATOM 60 O SER A 5 -27.832 -11.233 1.005 1.00 0.00 O ATOM 61 CB SER A 5 -31.018 -11.814 2.311 1.00 0.00 C ATOM 62 OG SER A 5 -32.285 -11.546 1.735 1.00 0.00 O ATOM 0 H SER A 5 -28.273 -13.263 1.811 1.00 0.00 H new ATOM 0 HA SER A 5 -30.538 -12.475 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.112 -12.606 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.657 -10.928 2.834 1.00 0.00 H new ATOM 0 HG SER A 5 -32.915 -11.285 2.438 1.00 0.00 H new ATOM 68 N LYS A 6 -29.616 -9.911 0.641 1.00 0.00 N ATOM 69 CA LYS A 6 -28.818 -8.727 0.342 1.00 0.00 C ATOM 70 C LYS A 6 -27.979 -8.935 -0.916 1.00 0.00 C ATOM 71 O LYS A 6 -27.338 -9.973 -1.082 1.00 0.00 O ATOM 72 CB LYS A 6 -27.911 -8.381 1.525 1.00 0.00 C ATOM 73 CG LYS A 6 -27.875 -6.898 1.850 1.00 0.00 C ATOM 74 CD LYS A 6 -27.506 -6.654 3.305 1.00 0.00 C ATOM 75 CE LYS A 6 -26.091 -7.124 3.609 1.00 0.00 C ATOM 76 NZ LYS A 6 -25.147 -5.980 3.749 1.00 0.00 N ATOM 0 H LYS A 6 -30.624 -9.763 0.591 1.00 0.00 H new ATOM 0 HA LYS A 6 -29.502 -7.897 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -28.250 -8.929 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -26.899 -8.722 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -27.153 -6.400 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -28.849 -6.455 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -27.593 -5.591 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -28.211 -7.176 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.092 -7.709 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -25.748 -7.783 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.193 -6.340 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.127 -5.436 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.461 -5.364 4.526 1.00 0.00 H new ATOM 90 N LYS A 7 -27.986 -7.940 -1.798 1.00 0.00 N ATOM 91 CA LYS A 7 -27.226 -8.012 -3.040 1.00 0.00 C ATOM 92 C LYS A 7 -26.038 -7.052 -3.006 1.00 0.00 C ATOM 93 O LYS A 7 -26.164 -5.884 -3.377 1.00 0.00 O ATOM 94 CB LYS A 7 -28.127 -7.683 -4.233 1.00 0.00 C ATOM 95 CG LYS A 7 -27.450 -7.879 -5.579 1.00 0.00 C ATOM 96 CD LYS A 7 -27.497 -9.333 -6.020 1.00 0.00 C ATOM 97 CE LYS A 7 -26.341 -10.130 -5.436 1.00 0.00 C ATOM 98 NZ LYS A 7 -25.969 -11.284 -6.301 1.00 0.00 N ATOM 0 H LYS A 7 -28.510 -7.074 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 7 -26.848 -9.028 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -29.017 -8.310 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -28.461 -6.649 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -27.938 -7.255 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.413 -7.550 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -28.442 -9.779 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.464 -9.386 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.477 -9.477 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -26.614 -10.492 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -25.178 -11.801 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -26.785 -11.920 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.684 -10.937 -7.239 1.00 0.00 H new ATOM 112 N PRO A 8 -24.865 -7.531 -2.556 1.00 0.00 N ATOM 113 CA PRO A 8 -23.655 -6.706 -2.473 1.00 0.00 C ATOM 114 C PRO A 8 -23.101 -6.343 -3.848 1.00 0.00 C ATOM 115 O PRO A 8 -22.500 -5.284 -4.022 1.00 0.00 O ATOM 116 CB PRO A 8 -22.667 -7.598 -1.717 1.00 0.00 C ATOM 117 CG PRO A 8 -23.129 -8.987 -1.984 1.00 0.00 C ATOM 118 CD PRO A 8 -24.626 -8.911 -2.091 1.00 0.00 C ATOM 0 HA PRO A 8 -23.848 -5.751 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -21.647 -7.446 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -22.672 -7.378 -0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -22.691 -9.374 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -22.829 -9.660 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -25.016 -9.646 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -25.108 -9.101 -1.132 1.00 0.00 H new ATOM 126 N THR A 9 -23.305 -7.233 -4.819 1.00 0.00 N ATOM 127 CA THR A 9 -22.826 -7.014 -6.185 1.00 0.00 C ATOM 128 C THR A 9 -21.388 -6.499 -6.195 1.00 0.00 C ATOM 129 O THR A 9 -21.094 -5.453 -6.777 1.00 0.00 O ATOM 130 CB THR A 9 -23.745 -6.038 -6.925 1.00 0.00 C ATOM 131 OG1 THR A 9 -23.292 -5.830 -8.250 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.850 -4.683 -6.259 1.00 0.00 C ATOM 0 H THR A 9 -23.800 -8.115 -4.685 1.00 0.00 H new ATOM 0 HA THR A 9 -22.842 -7.974 -6.701 1.00 0.00 H new ATOM 0 HB THR A 9 -24.729 -6.506 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.373 -5.491 -8.232 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.517 -4.044 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.247 -4.803 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.862 -4.225 -6.208 1.00 0.00 H new ATOM 140 N ILE A 10 -20.496 -7.242 -5.547 1.00 0.00 N ATOM 141 CA ILE A 10 -19.088 -6.868 -5.477 1.00 0.00 C ATOM 142 C ILE A 10 -18.194 -8.095 -5.621 1.00 0.00 C ATOM 143 O ILE A 10 -17.937 -8.806 -4.650 1.00 0.00 O ATOM 144 CB ILE A 10 -18.769 -6.145 -4.147 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.387 -4.743 -4.146 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.264 -6.067 -3.912 1.00 0.00 C ATOM 147 CD1 ILE A 10 -18.662 -3.757 -5.034 1.00 0.00 C ATOM 0 H ILE A 10 -20.725 -8.109 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.889 -6.185 -6.303 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.205 -6.722 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.426 -4.813 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.396 -4.361 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.069 -5.554 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.850 -7.074 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.796 -5.517 -4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.157 -2.787 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.630 -3.656 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.676 -4.116 -6.063 1.00 0.00 H new ATOM 159 N ILE A 11 -17.719 -8.333 -6.839 1.00 0.00 N ATOM 160 CA ILE A 11 -16.849 -9.468 -7.108 1.00 0.00 C ATOM 161 C ILE A 11 -15.782 -9.110 -8.135 1.00 0.00 C ATOM 162 O ILE A 11 -16.037 -9.117 -9.340 1.00 0.00 O ATOM 163 CB ILE A 11 -17.652 -10.677 -7.623 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.907 -10.888 -6.771 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.786 -11.929 -7.627 1.00 0.00 C ATOM 166 CD1 ILE A 11 -18.614 -11.364 -5.364 1.00 0.00 C ATOM 0 H ILE A 11 -17.923 -7.754 -7.654 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.369 -9.731 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.964 -10.475 -8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.463 -9.952 -6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.552 -11.615 -7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.369 -12.774 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.925 -11.774 -8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.443 -12.138 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.550 -11.491 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -18.086 -12.317 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.995 -10.627 -4.852 1.00 0.00 H new ATOM 178 N TYR A 12 -14.584 -8.806 -7.651 1.00 0.00 N ATOM 179 CA TYR A 12 -13.470 -8.455 -8.524 1.00 0.00 C ATOM 180 C TYR A 12 -12.156 -9.001 -7.973 1.00 0.00 C ATOM 181 O TYR A 12 -11.472 -8.334 -7.200 1.00 0.00 O ATOM 182 CB TYR A 12 -13.371 -6.936 -8.697 1.00 0.00 C ATOM 183 CG TYR A 12 -13.648 -6.148 -7.433 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.656 -5.951 -6.479 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.901 -5.597 -7.200 1.00 0.00 C ATOM 186 CE1 TYR A 12 -12.907 -5.228 -5.328 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.160 -4.873 -6.051 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.160 -4.691 -5.120 1.00 0.00 C ATOM 189 OH TYR A 12 -14.413 -3.970 -3.975 1.00 0.00 O ATOM 0 H TYR A 12 -14.358 -8.795 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.656 -8.907 -9.498 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.372 -6.687 -9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.074 -6.623 -9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.674 -6.370 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.686 -5.736 -7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.126 -5.084 -4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.141 -4.452 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.343 -3.660 -3.982 1.00 0.00 H new ATOM 199 N PRO A 13 -11.786 -10.233 -8.356 1.00 0.00 N ATOM 200 CA PRO A 13 -10.558 -10.862 -7.891 1.00 0.00 C ATOM 201 C PRO A 13 -9.364 -10.549 -8.787 1.00 0.00 C ATOM 202 O PRO A 13 -8.840 -11.427 -9.472 1.00 0.00 O ATOM 203 CB PRO A 13 -10.915 -12.340 -7.957 1.00 0.00 C ATOM 204 CG PRO A 13 -11.822 -12.449 -9.141 1.00 0.00 C ATOM 205 CD PRO A 13 -12.536 -11.120 -9.264 1.00 0.00 C ATOM 0 HA PRO A 13 -10.251 -10.515 -6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.026 -12.959 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.411 -12.671 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.254 -12.669 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.536 -13.262 -9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.519 -10.750 -10.289 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.583 -11.200 -8.971 1.00 0.00 H new ATOM 213 N CYS A 14 -8.939 -9.290 -8.774 1.00 0.00 N ATOM 214 CA CYS A 14 -7.804 -8.857 -9.582 1.00 0.00 C ATOM 215 C CYS A 14 -6.997 -7.787 -8.854 1.00 0.00 C ATOM 216 O CYS A 14 -7.464 -7.203 -7.877 1.00 0.00 O ATOM 217 CB CYS A 14 -8.286 -8.321 -10.931 1.00 0.00 C ATOM 218 SG CYS A 14 -8.373 -9.572 -12.234 1.00 0.00 S ATOM 0 H CYS A 14 -9.363 -8.551 -8.213 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.160 -9.720 -9.752 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.273 -7.877 -10.802 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.617 -7.523 -11.253 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.641 -10.730 -11.707 1.00 0.00 H new ATOM 224 N LEU A 15 -5.785 -7.534 -9.338 1.00 0.00 N ATOM 225 CA LEU A 15 -4.917 -6.532 -8.731 1.00 0.00 C ATOM 226 C LEU A 15 -5.454 -5.127 -8.979 1.00 0.00 C ATOM 227 O LEU A 15 -5.424 -4.630 -10.104 1.00 0.00 O ATOM 228 CB LEU A 15 -3.493 -6.659 -9.286 1.00 0.00 C ATOM 229 CG LEU A 15 -2.439 -7.093 -8.267 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.336 -7.887 -8.948 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.861 -5.883 -7.549 1.00 0.00 C ATOM 0 H LEU A 15 -5.383 -8.008 -10.147 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.895 -6.705 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.501 -7.377 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.196 -5.698 -9.707 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.918 -7.734 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.594 -8.188 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.762 -8.774 -9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.859 -7.269 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.113 -6.211 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.397 -5.216 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.659 -5.353 -7.028 1.00 0.00 H new ATOM 243 N TRP A 16 -5.943 -4.491 -7.919 1.00 0.00 N ATOM 244 CA TRP A 16 -6.487 -3.143 -8.021 1.00 0.00 C ATOM 245 C TRP A 16 -5.532 -2.120 -7.415 1.00 0.00 C ATOM 246 O TRP A 16 -4.949 -2.353 -6.357 1.00 0.00 O ATOM 247 CB TRP A 16 -7.847 -3.065 -7.322 1.00 0.00 C ATOM 248 CG TRP A 16 -8.627 -1.837 -7.676 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.955 -0.805 -6.843 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.181 -1.511 -8.956 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.677 0.141 -7.527 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.829 -0.268 -8.826 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.190 -2.148 -10.200 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.479 0.347 -9.893 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.836 -1.537 -11.259 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.473 -0.299 -11.098 1.00 0.00 C ATOM 0 H TRP A 16 -5.973 -4.888 -6.980 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.614 -2.910 -9.078 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.433 -3.946 -7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.695 -3.092 -6.243 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.686 -0.743 -5.799 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.041 1.008 -7.132 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.701 -3.102 -10.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.971 1.301 -9.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.850 -2.021 -12.224 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.969 0.154 -11.943 1.00 0.00 H new ATOM 267 N ASP A 17 -5.380 -0.986 -8.092 1.00 0.00 N ATOM 268 CA ASP A 17 -4.498 0.074 -7.618 1.00 0.00 C ATOM 269 C ASP A 17 -5.262 1.059 -6.739 1.00 0.00 C ATOM 270 O ASP A 17 -6.469 1.244 -6.906 1.00 0.00 O ATOM 271 CB ASP A 17 -3.869 0.811 -8.803 1.00 0.00 C ATOM 272 CG ASP A 17 -2.543 0.205 -9.220 1.00 0.00 C ATOM 273 OD1 ASP A 17 -2.550 -0.908 -9.785 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.497 0.846 -8.983 1.00 0.00 O ATOM 0 H ASP A 17 -5.856 -0.778 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.707 -0.382 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.557 0.790 -9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.720 1.858 -8.539 1.00 0.00 H new ATOM 279 N TYR A 18 -4.557 1.687 -5.803 1.00 0.00 N ATOM 280 CA TYR A 18 -5.178 2.648 -4.901 1.00 0.00 C ATOM 281 C TYR A 18 -4.401 3.959 -4.879 1.00 0.00 C ATOM 282 O TYR A 18 -3.342 4.055 -4.260 1.00 0.00 O ATOM 283 CB TYR A 18 -5.267 2.068 -3.489 1.00 0.00 C ATOM 284 CG TYR A 18 -6.110 0.817 -3.399 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.498 0.891 -3.375 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.521 -0.440 -3.340 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.273 -0.249 -3.294 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.289 -1.585 -3.257 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.664 -1.485 -3.236 1.00 0.00 C ATOM 290 OH TYR A 18 -8.433 -2.623 -3.155 1.00 0.00 O ATOM 0 H TYR A 18 -3.558 1.548 -5.650 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.184 2.853 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.261 1.844 -3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.681 2.823 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.979 1.857 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.444 -0.523 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.350 -0.173 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.815 -2.554 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.123 -2.602 -3.850 1.00 0.00 H new ATOM 300 N ARG A 19 -4.939 4.969 -5.557 1.00 0.00 N ATOM 301 CA ARG A 19 -4.300 6.279 -5.611 1.00 0.00 C ATOM 302 C ARG A 19 -4.503 7.027 -4.297 1.00 0.00 C ATOM 303 O ARG A 19 -5.565 7.600 -4.055 1.00 0.00 O ATOM 304 CB ARG A 19 -4.868 7.097 -6.773 1.00 0.00 C ATOM 305 CG ARG A 19 -4.195 8.448 -6.953 1.00 0.00 C ATOM 306 CD ARG A 19 -2.855 8.320 -7.659 1.00 0.00 C ATOM 307 NE ARG A 19 -2.773 9.181 -8.837 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.270 8.858 -10.029 1.00 0.00 C ATOM 309 NH1 ARG A 19 -3.888 7.697 -10.208 1.00 0.00 N ATOM 310 NH2 ARG A 19 -3.148 9.700 -11.048 1.00 0.00 N ATOM 0 H ARG A 19 -5.815 4.905 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.231 6.135 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.765 6.524 -7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.935 7.251 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.847 9.106 -7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.050 8.915 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.054 8.577 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.699 7.283 -7.956 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.307 10.083 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.985 7.045 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.266 7.457 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.674 10.594 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.528 9.453 -11.962 1.00 0.00 H new ATOM 324 N VAL A 20 -3.481 7.011 -3.448 1.00 0.00 N ATOM 325 CA VAL A 20 -3.553 7.682 -2.155 1.00 0.00 C ATOM 326 C VAL A 20 -2.463 8.738 -2.010 1.00 0.00 C ATOM 327 O VAL A 20 -1.279 8.448 -2.179 1.00 0.00 O ATOM 328 CB VAL A 20 -3.425 6.675 -0.996 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.729 7.348 0.334 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.340 5.482 -1.221 1.00 0.00 C ATOM 0 H VAL A 20 -2.594 6.542 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.528 8.167 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.397 6.313 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.633 6.621 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.026 8.165 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.746 7.741 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.236 4.782 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.374 5.822 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.068 4.985 -2.152 1.00 0.00 H new ATOM 340 N ILE A 21 -2.872 9.961 -1.687 1.00 0.00 N ATOM 341 CA ILE A 21 -1.929 11.060 -1.508 1.00 0.00 C ATOM 342 C ILE A 21 -1.860 11.477 -0.045 1.00 0.00 C ATOM 343 O ILE A 21 -2.878 11.508 0.648 1.00 0.00 O ATOM 344 CB ILE A 21 -2.310 12.292 -2.356 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.942 11.882 -3.696 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.089 13.168 -2.591 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.242 10.735 -4.398 1.00 0.00 C ATOM 0 H ILE A 21 -3.849 10.216 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.957 10.694 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.054 12.862 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.982 11.605 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.949 12.747 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.372 14.033 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.693 13.504 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.326 12.595 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.755 10.514 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.209 11.013 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.258 9.853 -3.758 1.00 0.00 H new ATOM 359 N MET A 22 -0.659 11.797 0.425 1.00 0.00 N ATOM 360 CA MET A 22 -0.466 12.208 1.805 1.00 0.00 C ATOM 361 C MET A 22 0.091 13.621 1.869 1.00 0.00 C ATOM 362 O MET A 22 0.934 14.006 1.060 1.00 0.00 O ATOM 363 CB MET A 22 0.481 11.245 2.523 1.00 0.00 C ATOM 364 CG MET A 22 0.546 9.857 1.902 1.00 0.00 C ATOM 365 SD MET A 22 1.817 9.723 0.632 1.00 0.00 S ATOM 366 CE MET A 22 3.252 9.326 1.627 1.00 0.00 C ATOM 0 H MET A 22 0.195 11.779 -0.133 1.00 0.00 H new ATOM 0 HA MET A 22 -1.435 12.189 2.303 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.482 11.675 2.530 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.167 11.152 3.563 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.740 9.122 2.684 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.423 9.612 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.146 9.732 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.137 9.760 2.620 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.347 8.244 1.713 1.00 0.00 H new ATOM 376 N THR A 23 -0.380 14.388 2.841 1.00 0.00 N ATOM 377 CA THR A 23 0.078 15.759 3.017 1.00 0.00 C ATOM 378 C THR A 23 0.625 15.961 4.423 1.00 0.00 C ATOM 379 O THR A 23 0.027 16.659 5.242 1.00 0.00 O ATOM 380 CB THR A 23 -1.061 16.744 2.747 1.00 0.00 C ATOM 381 OG1 THR A 23 -0.736 18.032 3.238 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.373 16.331 3.376 1.00 0.00 C ATOM 0 H THR A 23 -1.079 14.085 3.520 1.00 0.00 H new ATOM 0 HA THR A 23 0.878 15.948 2.301 1.00 0.00 H new ATOM 0 HB THR A 23 -1.184 16.753 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.564 17.981 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.137 17.074 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.677 15.362 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.252 16.259 4.457 1.00 0.00 H new ATOM 390 N THR A 24 1.768 15.342 4.694 1.00 0.00 N ATOM 391 CA THR A 24 2.401 15.450 6.004 1.00 0.00 C ATOM 392 C THR A 24 3.904 15.664 5.874 1.00 0.00 C ATOM 393 O THR A 24 4.519 15.245 4.894 1.00 0.00 O ATOM 394 CB THR A 24 2.121 14.195 6.832 1.00 0.00 C ATOM 395 OG1 THR A 24 0.803 13.729 6.606 1.00 0.00 O ATOM 396 CG2 THR A 24 2.283 14.414 8.321 1.00 0.00 C ATOM 0 H THR A 24 2.275 14.761 4.026 1.00 0.00 H new ATOM 0 HA THR A 24 1.977 16.316 6.512 1.00 0.00 H new ATOM 0 HB THR A 24 2.859 13.462 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.173 14.260 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.070 13.485 8.851 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.305 14.727 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.590 15.188 8.652 1.00 0.00 H new ATOM 404 N LYS A 25 4.489 16.320 6.870 1.00 0.00 N ATOM 405 CA LYS A 25 5.922 16.594 6.873 1.00 0.00 C ATOM 406 C LYS A 25 6.702 15.452 7.522 1.00 0.00 C ATOM 407 O LYS A 25 7.924 15.373 7.395 1.00 0.00 O ATOM 408 CB LYS A 25 6.211 17.904 7.608 1.00 0.00 C ATOM 409 CG LYS A 25 5.562 17.988 8.980 1.00 0.00 C ATOM 410 CD LYS A 25 6.484 18.647 9.994 1.00 0.00 C ATOM 411 CE LYS A 25 6.640 20.134 9.722 1.00 0.00 C ATOM 412 NZ LYS A 25 7.164 20.864 10.909 1.00 0.00 N ATOM 0 H LYS A 25 3.992 16.673 7.688 1.00 0.00 H new ATOM 0 HA LYS A 25 6.246 16.685 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.289 18.019 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.862 18.738 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.633 18.554 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.300 16.987 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.087 18.500 10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.462 18.166 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.315 20.280 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.676 20.553 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.256 21.875 10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.507 20.746 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.096 20.481 11.168 1.00 0.00 H new ATOM 426 N ASP A 26 5.992 14.571 8.221 1.00 0.00 N ATOM 427 CA ASP A 26 6.623 13.441 8.889 1.00 0.00 C ATOM 428 C ASP A 26 6.241 12.126 8.214 1.00 0.00 C ATOM 429 O ASP A 26 5.826 11.172 8.874 1.00 0.00 O ATOM 430 CB ASP A 26 6.217 13.412 10.361 1.00 0.00 C ATOM 431 CG ASP A 26 7.340 12.937 11.263 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.382 13.623 11.326 1.00 0.00 O ATOM 433 OD2 ASP A 26 7.178 11.877 11.906 1.00 0.00 O ATOM 0 H ASP A 26 4.980 14.619 8.339 1.00 0.00 H new ATOM 0 HA ASP A 26 7.704 13.560 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.906 14.410 10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.354 12.757 10.484 1.00 0.00 H new ATOM 438 N THR A 27 6.385 12.083 6.893 1.00 0.00 N ATOM 439 CA THR A 27 6.057 10.886 6.126 1.00 0.00 C ATOM 440 C THR A 27 7.153 9.826 6.249 1.00 0.00 C ATOM 441 O THR A 27 7.008 8.714 5.742 1.00 0.00 O ATOM 442 CB THR A 27 5.843 11.243 4.654 1.00 0.00 C ATOM 443 OG1 THR A 27 6.856 12.122 4.199 1.00 0.00 O ATOM 444 CG2 THR A 27 4.508 11.903 4.388 1.00 0.00 C ATOM 0 H THR A 27 6.727 12.863 6.332 1.00 0.00 H new ATOM 0 HA THR A 27 5.136 10.471 6.535 1.00 0.00 H new ATOM 0 HB THR A 27 5.874 10.294 4.118 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.703 12.337 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.420 12.130 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.704 11.229 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.437 12.826 4.964 1.00 0.00 H new ATOM 452 N SER A 28 8.249 10.174 6.921 1.00 0.00 N ATOM 453 CA SER A 28 9.361 9.246 7.103 1.00 0.00 C ATOM 454 C SER A 28 8.889 7.943 7.743 1.00 0.00 C ATOM 455 O SER A 28 9.499 6.891 7.555 1.00 0.00 O ATOM 456 CB SER A 28 10.450 9.885 7.964 1.00 0.00 C ATOM 457 OG SER A 28 9.896 10.798 8.896 1.00 0.00 O ATOM 0 H SER A 28 8.390 11.090 7.347 1.00 0.00 H new ATOM 0 HA SER A 28 9.772 9.016 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.000 9.108 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.166 10.403 7.325 1.00 0.00 H new ATOM 0 HG SER A 28 10.614 11.191 9.435 1.00 0.00 H new ATOM 463 N THR A 29 7.795 8.018 8.495 1.00 0.00 N ATOM 464 CA THR A 29 7.242 6.843 9.156 1.00 0.00 C ATOM 465 C THR A 29 6.417 6.017 8.175 1.00 0.00 C ATOM 466 O THR A 29 6.374 4.790 8.260 1.00 0.00 O ATOM 467 CB THR A 29 6.378 7.259 10.346 1.00 0.00 C ATOM 468 OG1 THR A 29 5.861 6.120 11.012 1.00 0.00 O ATOM 469 CG2 THR A 29 5.207 8.135 9.958 1.00 0.00 C ATOM 0 H THR A 29 7.275 8.880 8.661 1.00 0.00 H new ATOM 0 HA THR A 29 8.069 6.232 9.518 1.00 0.00 H new ATOM 0 HB THR A 29 7.039 7.832 10.997 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.312 6.406 11.772 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.635 8.394 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.575 9.046 9.485 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.566 7.597 9.259 1.00 0.00 H new ATOM 477 N LEU A 30 5.766 6.703 7.240 1.00 0.00 N ATOM 478 CA LEU A 30 4.942 6.038 6.238 1.00 0.00 C ATOM 479 C LEU A 30 5.802 5.486 5.106 1.00 0.00 C ATOM 480 O LEU A 30 5.570 4.379 4.619 1.00 0.00 O ATOM 481 CB LEU A 30 3.902 7.009 5.677 1.00 0.00 C ATOM 482 CG LEU A 30 2.898 6.391 4.704 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.058 5.335 5.403 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.010 7.468 4.101 1.00 0.00 C ATOM 0 H LEU A 30 5.794 7.719 7.156 1.00 0.00 H new ATOM 0 HA LEU A 30 4.429 5.205 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.354 7.451 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.422 7.822 5.171 1.00 0.00 H new ATOM 0 HG LEU A 30 3.451 5.910 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.349 4.906 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.708 4.549 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.514 5.792 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.301 7.011 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.465 7.978 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.626 8.189 3.564 1.00 0.00 H new ATOM 496 N LYS A 31 6.799 6.263 4.692 1.00 0.00 N ATOM 497 CA LYS A 31 7.693 5.848 3.618 1.00 0.00 C ATOM 498 C LYS A 31 8.422 4.559 3.985 1.00 0.00 C ATOM 499 O LYS A 31 8.759 3.756 3.115 1.00 0.00 O ATOM 500 CB LYS A 31 8.705 6.954 3.305 1.00 0.00 C ATOM 501 CG LYS A 31 9.693 7.215 4.430 1.00 0.00 C ATOM 502 CD LYS A 31 10.863 6.244 4.382 1.00 0.00 C ATOM 503 CE LYS A 31 12.188 6.956 4.602 1.00 0.00 C ATOM 504 NZ LYS A 31 13.348 6.046 4.394 1.00 0.00 N ATOM 0 H LYS A 31 7.007 7.182 5.084 1.00 0.00 H new ATOM 0 HA LYS A 31 7.089 5.662 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.257 6.685 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.166 7.876 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.064 8.237 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.184 7.126 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.731 5.476 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.877 5.737 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.263 7.802 3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.220 7.359 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.233 6.569 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.290 5.252 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.332 5.681 3.420 1.00 0.00 H new ATOM 518 N GLU A 32 8.661 4.369 5.279 1.00 0.00 N ATOM 519 CA GLU A 32 9.349 3.176 5.762 1.00 0.00 C ATOM 520 C GLU A 32 8.374 2.017 5.927 1.00 0.00 C ATOM 521 O GLU A 32 8.749 0.853 5.788 1.00 0.00 O ATOM 522 CB GLU A 32 10.043 3.467 7.094 1.00 0.00 C ATOM 523 CG GLU A 32 9.091 3.906 8.194 1.00 0.00 C ATOM 524 CD GLU A 32 9.795 4.142 9.515 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.296 5.265 9.728 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.845 3.202 10.338 1.00 0.00 O ATOM 0 H GLU A 32 8.389 5.025 6.011 1.00 0.00 H new ATOM 0 HA GLU A 32 10.099 2.894 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.574 2.573 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.792 4.244 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.585 4.822 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.321 3.146 8.328 1.00 0.00 H new ATOM 533 N LEU A 33 7.119 2.342 6.223 1.00 0.00 N ATOM 534 CA LEU A 33 6.089 1.327 6.406 1.00 0.00 C ATOM 535 C LEU A 33 5.705 0.700 5.070 1.00 0.00 C ATOM 536 O LEU A 33 5.443 -0.500 4.987 1.00 0.00 O ATOM 537 CB LEU A 33 4.856 1.937 7.075 1.00 0.00 C ATOM 538 CG LEU A 33 4.665 1.562 8.546 1.00 0.00 C ATOM 539 CD1 LEU A 33 5.759 2.182 9.402 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.293 2.001 9.034 1.00 0.00 C ATOM 0 H LEU A 33 6.792 3.301 6.341 1.00 0.00 H new ATOM 0 HA LEU A 33 6.490 0.545 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.919 3.022 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.970 1.629 6.519 1.00 0.00 H new ATOM 0 HG LEU A 33 4.732 0.478 8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.606 1.904 10.445 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.731 1.819 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.724 3.267 9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.175 1.726 10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.198 3.082 8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.522 1.510 8.441 1.00 0.00 H new ATOM 552 N LEU A 34 5.674 1.521 4.025 1.00 0.00 N ATOM 553 CA LEU A 34 5.324 1.050 2.691 1.00 0.00 C ATOM 554 C LEU A 34 6.485 0.284 2.066 1.00 0.00 C ATOM 555 O LEU A 34 6.280 -0.647 1.287 1.00 0.00 O ATOM 556 CB LEU A 34 4.934 2.227 1.797 1.00 0.00 C ATOM 557 CG LEU A 34 3.919 3.196 2.407 1.00 0.00 C ATOM 558 CD1 LEU A 34 4.158 4.607 1.898 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.500 2.746 2.095 1.00 0.00 C ATOM 0 H LEU A 34 5.887 2.517 4.077 1.00 0.00 H new ATOM 0 HA LEU A 34 4.472 0.376 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.836 2.783 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.525 1.836 0.865 1.00 0.00 H new ATOM 0 HG LEU A 34 4.048 3.196 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.427 5.283 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.163 4.928 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.056 4.625 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.791 3.446 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.357 2.717 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.334 1.752 2.510 1.00 0.00 H new ATOM 571 N GLU A 35 7.704 0.681 2.415 1.00 0.00 N ATOM 572 CA GLU A 35 8.900 0.032 1.890 1.00 0.00 C ATOM 573 C GLU A 35 9.132 -1.326 2.551 1.00 0.00 C ATOM 574 O GLU A 35 10.007 -2.085 2.134 1.00 0.00 O ATOM 575 CB GLU A 35 10.123 0.928 2.097 1.00 0.00 C ATOM 576 CG GLU A 35 10.254 2.029 1.059 1.00 0.00 C ATOM 577 CD GLU A 35 11.588 2.746 1.133 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.865 3.380 2.173 1.00 0.00 O ATOM 579 OE2 GLU A 35 12.358 2.673 0.151 1.00 0.00 O ATOM 0 H GLU A 35 7.890 1.449 3.059 1.00 0.00 H new ATOM 0 HA GLU A 35 8.749 -0.131 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.069 1.379 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.022 0.312 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.130 1.601 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.450 2.751 1.198 1.00 0.00 H new ATOM 586 N THR A 36 8.348 -1.630 3.583 1.00 0.00 N ATOM 587 CA THR A 36 8.477 -2.898 4.291 1.00 0.00 C ATOM 588 C THR A 36 8.275 -4.077 3.344 1.00 0.00 C ATOM 589 O THR A 36 9.032 -5.046 3.373 1.00 0.00 O ATOM 590 CB THR A 36 7.465 -2.972 5.436 1.00 0.00 C ATOM 591 OG1 THR A 36 6.141 -2.889 4.940 1.00 0.00 O ATOM 592 CG2 THR A 36 7.641 -1.875 6.463 1.00 0.00 C ATOM 0 H THR A 36 7.619 -1.016 3.946 1.00 0.00 H new ATOM 0 HA THR A 36 9.486 -2.953 4.700 1.00 0.00 H new ATOM 0 HB THR A 36 7.646 -3.932 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.685 -2.124 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.892 -1.987 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.637 -1.943 6.901 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.522 -0.904 5.982 1.00 0.00 H new ATOM 600 N TYR A 37 7.248 -3.986 2.504 1.00 0.00 N ATOM 601 CA TYR A 37 6.944 -5.045 1.548 1.00 0.00 C ATOM 602 C TYR A 37 6.748 -6.381 2.260 1.00 0.00 C ATOM 603 O TYR A 37 7.116 -7.434 1.740 1.00 0.00 O ATOM 604 CB TYR A 37 8.064 -5.166 0.513 1.00 0.00 C ATOM 605 CG TYR A 37 7.908 -4.231 -0.664 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.179 -4.608 -1.786 1.00 0.00 C ATOM 607 CD2 TYR A 37 8.488 -2.968 -0.655 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.035 -3.756 -2.863 1.00 0.00 C ATOM 609 CE2 TYR A 37 8.349 -2.110 -1.729 1.00 0.00 C ATOM 610 CZ TYR A 37 7.622 -2.509 -2.831 1.00 0.00 C ATOM 611 OH TYR A 37 7.481 -1.656 -3.902 1.00 0.00 O ATOM 0 H TYR A 37 6.612 -3.189 2.466 1.00 0.00 H new ATOM 0 HA TYR A 37 6.016 -4.784 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.019 -4.967 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.100 -6.192 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.717 -5.584 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.057 -2.652 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.465 -4.065 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.807 -1.132 -1.706 1.00 0.00 H new ATOM 0 HH TYR A 37 7.955 -0.818 -3.718 1.00 0.00 H new ATOM 621 N GLN A 38 6.166 -6.327 3.455 1.00 0.00 N ATOM 622 CA GLN A 38 5.919 -7.531 4.242 1.00 0.00 C ATOM 623 C GLN A 38 4.969 -8.476 3.513 1.00 0.00 C ATOM 624 O GLN A 38 5.055 -9.695 3.662 1.00 0.00 O ATOM 625 CB GLN A 38 5.343 -7.158 5.609 1.00 0.00 C ATOM 626 CG GLN A 38 6.395 -7.010 6.697 1.00 0.00 C ATOM 627 CD GLN A 38 6.181 -7.966 7.854 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.090 -8.508 8.032 1.00 0.00 O ATOM 629 NE2 GLN A 38 7.224 -8.176 8.650 1.00 0.00 N ATOM 0 H GLN A 38 5.857 -5.462 3.899 1.00 0.00 H new ATOM 0 HA GLN A 38 6.869 -8.045 4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.793 -6.221 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.626 -7.921 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.382 -7.182 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.383 -5.986 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.110 -7.705 8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.139 -8.808 9.446 1.00 0.00 H new ATOM 638 N ARG A 39 4.061 -7.906 2.729 1.00 0.00 N ATOM 639 CA ARG A 39 3.093 -8.699 1.976 1.00 0.00 C ATOM 640 C ARG A 39 3.294 -8.513 0.474 1.00 0.00 C ATOM 641 O ARG A 39 4.059 -7.649 0.045 1.00 0.00 O ATOM 642 CB ARG A 39 1.655 -8.319 2.363 1.00 0.00 C ATOM 643 CG ARG A 39 1.557 -7.260 3.453 1.00 0.00 C ATOM 644 CD ARG A 39 0.144 -6.710 3.571 1.00 0.00 C ATOM 645 NE ARG A 39 -0.332 -6.722 4.952 1.00 0.00 N ATOM 646 CZ ARG A 39 0.195 -5.979 5.924 1.00 0.00 C ATOM 647 NH1 ARG A 39 1.215 -5.167 5.669 1.00 0.00 N ATOM 648 NH2 ARG A 39 -0.298 -6.048 7.152 1.00 0.00 N ATOM 0 H ARG A 39 3.974 -6.898 2.597 1.00 0.00 H new ATOM 0 HA ARG A 39 3.255 -9.748 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.136 -7.958 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.132 -9.216 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.862 -7.689 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.248 -6.446 3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.118 -5.690 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.529 -7.301 2.950 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.113 -7.335 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.598 -5.110 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.615 -4.600 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.081 -6.670 7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.106 -5.479 7.896 1.00 0.00 H new ATOM 662 N PRO A 40 2.607 -9.323 -0.352 1.00 0.00 N ATOM 663 CA PRO A 40 2.719 -9.239 -1.811 1.00 0.00 C ATOM 664 C PRO A 40 1.995 -8.019 -2.377 1.00 0.00 C ATOM 665 O PRO A 40 1.090 -8.149 -3.202 1.00 0.00 O ATOM 666 CB PRO A 40 2.052 -10.529 -2.287 1.00 0.00 C ATOM 667 CG PRO A 40 1.066 -10.859 -1.222 1.00 0.00 C ATOM 668 CD PRO A 40 1.671 -10.383 0.071 1.00 0.00 C ATOM 0 HA PRO A 40 3.753 -9.131 -2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.562 -10.389 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.782 -11.329 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.111 -10.368 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.872 -11.931 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.911 -9.999 0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.187 -11.189 0.592 1.00 0.00 H new ATOM 676 N PHE A 41 2.403 -6.837 -1.929 1.00 0.00 N ATOM 677 CA PHE A 41 1.800 -5.593 -2.389 1.00 0.00 C ATOM 678 C PHE A 41 2.852 -4.680 -3.010 1.00 0.00 C ATOM 679 O PHE A 41 4.032 -4.757 -2.666 1.00 0.00 O ATOM 680 CB PHE A 41 1.101 -4.879 -1.226 1.00 0.00 C ATOM 681 CG PHE A 41 2.048 -4.288 -0.220 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.624 -3.046 -0.438 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.360 -4.971 0.943 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.493 -2.498 0.484 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.231 -4.428 1.871 1.00 0.00 C ATOM 686 CZ PHE A 41 3.798 -3.189 1.640 1.00 0.00 C ATOM 0 H PHE A 41 3.151 -6.715 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 41 1.059 -5.834 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.469 -4.086 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.443 -5.586 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.390 -2.500 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.918 -5.939 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.934 -1.529 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.467 -4.971 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.478 -2.762 2.362 1.00 0.00 H new ATOM 696 N LYS A 42 2.421 -3.818 -3.924 1.00 0.00 N ATOM 697 CA LYS A 42 3.331 -2.894 -4.588 1.00 0.00 C ATOM 698 C LYS A 42 2.809 -1.465 -4.509 1.00 0.00 C ATOM 699 O LYS A 42 1.644 -1.236 -4.184 1.00 0.00 O ATOM 700 CB LYS A 42 3.525 -3.299 -6.051 1.00 0.00 C ATOM 701 CG LYS A 42 3.955 -4.746 -6.229 1.00 0.00 C ATOM 702 CD LYS A 42 5.455 -4.860 -6.447 1.00 0.00 C ATOM 703 CE LYS A 42 5.904 -6.312 -6.488 1.00 0.00 C ATOM 704 NZ LYS A 42 7.387 -6.436 -6.433 1.00 0.00 N ATOM 0 H LYS A 42 1.448 -3.740 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 42 4.292 -2.939 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.592 -3.137 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.273 -2.648 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.670 -5.322 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.429 -5.181 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.726 -4.368 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.981 -4.338 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.463 -6.852 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.534 -6.781 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.653 -7.441 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.807 -5.942 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.738 -6.011 -5.551 1.00 0.00 H new ATOM 718 N LEU A 43 3.678 -0.505 -4.807 1.00 0.00 N ATOM 719 CA LEU A 43 3.304 0.903 -4.770 1.00 0.00 C ATOM 720 C LEU A 43 3.923 1.659 -5.940 1.00 0.00 C ATOM 721 O LEU A 43 5.120 1.544 -6.203 1.00 0.00 O ATOM 722 CB LEU A 43 3.744 1.535 -3.449 1.00 0.00 C ATOM 723 CG LEU A 43 2.755 1.372 -2.292 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.132 0.176 -1.433 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.704 2.640 -1.451 1.00 0.00 C ATOM 0 H LEU A 43 4.646 -0.677 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 43 2.219 0.968 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.699 1.099 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.917 2.599 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 43 1.763 1.196 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.418 0.076 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.117 -0.728 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.132 0.322 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.996 2.506 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.694 2.847 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.386 3.477 -2.073 1.00 0.00 H new ATOM 737 N GLU A 44 3.098 2.431 -6.641 1.00 0.00 N ATOM 738 CA GLU A 44 3.567 3.204 -7.784 1.00 0.00 C ATOM 739 C GLU A 44 3.789 4.664 -7.400 1.00 0.00 C ATOM 740 O GLU A 44 2.880 5.487 -7.495 1.00 0.00 O ATOM 741 CB GLU A 44 2.562 3.115 -8.934 1.00 0.00 C ATOM 742 CG GLU A 44 2.171 1.689 -9.293 1.00 0.00 C ATOM 743 CD GLU A 44 2.203 1.434 -10.787 1.00 0.00 C ATOM 744 OE1 GLU A 44 1.651 2.260 -11.543 1.00 0.00 O ATOM 745 OE2 GLU A 44 2.779 0.406 -11.201 1.00 0.00 O ATOM 0 H GLU A 44 2.104 2.537 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 44 4.519 2.783 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.665 3.672 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.986 3.599 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.848 0.994 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.169 1.485 -8.915 1.00 0.00 H new ATOM 752 N PHE A 45 5.006 4.975 -6.966 1.00 0.00 N ATOM 753 CA PHE A 45 5.351 6.335 -6.568 1.00 0.00 C ATOM 754 C PHE A 45 5.165 7.304 -7.731 1.00 0.00 C ATOM 755 O PHE A 45 5.917 7.275 -8.702 1.00 0.00 O ATOM 756 CB PHE A 45 6.795 6.395 -6.065 1.00 0.00 C ATOM 757 CG PHE A 45 7.176 5.244 -5.172 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.272 4.728 -4.258 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.439 4.682 -5.250 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.620 3.672 -3.439 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.795 3.626 -4.432 1.00 0.00 C ATOM 762 CZ PHE A 45 7.883 3.120 -3.525 1.00 0.00 C ATOM 0 H PHE A 45 5.770 4.304 -6.881 1.00 0.00 H new ATOM 0 HA PHE A 45 4.682 6.630 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.468 6.416 -6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.942 7.328 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.283 5.157 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.154 5.073 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.905 3.278 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.784 3.197 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.158 2.295 -2.885 1.00 0.00 H new ATOM 772 N LYS A 46 4.153 8.160 -7.623 1.00 0.00 N ATOM 773 CA LYS A 46 3.867 9.138 -8.666 1.00 0.00 C ATOM 774 C LYS A 46 5.048 10.080 -8.874 1.00 0.00 C ATOM 775 O LYS A 46 5.333 10.493 -9.999 1.00 0.00 O ATOM 776 CB LYS A 46 2.616 9.943 -8.308 1.00 0.00 C ATOM 777 CG LYS A 46 1.322 9.159 -8.458 1.00 0.00 C ATOM 778 CD LYS A 46 1.002 8.887 -9.919 1.00 0.00 C ATOM 779 CE LYS A 46 0.122 9.976 -10.510 1.00 0.00 C ATOM 780 NZ LYS A 46 0.004 9.854 -11.989 1.00 0.00 N ATOM 0 H LYS A 46 3.519 8.196 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 46 3.692 8.597 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.702 10.293 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.570 10.828 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.403 8.214 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.503 9.716 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.929 8.818 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.500 7.924 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.870 9.924 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.535 10.953 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.604 10.615 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.948 9.929 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.414 8.932 -12.229 1.00 0.00 H new ATOM 794 N ASN A 47 5.734 10.414 -7.787 1.00 0.00 N ATOM 795 CA ASN A 47 6.884 11.307 -7.852 1.00 0.00 C ATOM 796 C ASN A 47 8.021 10.794 -6.973 1.00 0.00 C ATOM 797 O ASN A 47 7.879 9.784 -6.284 1.00 0.00 O ATOM 798 CB ASN A 47 6.485 12.720 -7.421 1.00 0.00 C ATOM 799 CG ASN A 47 6.974 13.780 -8.388 1.00 0.00 C ATOM 800 OD1 ASN A 47 7.944 13.572 -9.115 1.00 0.00 O ATOM 801 ND2 ASN A 47 6.301 14.925 -8.399 1.00 0.00 N ATOM 0 H ASN A 47 5.513 10.079 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 47 7.233 11.336 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.400 12.779 -7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.890 12.922 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.583 15.676 -9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.502 15.053 -7.778 1.00 0.00 H new ATOM 808 N THR A 48 9.149 11.497 -7.003 1.00 0.00 N ATOM 809 CA THR A 48 10.311 11.112 -6.209 1.00 0.00 C ATOM 810 C THR A 48 10.547 12.102 -5.074 1.00 0.00 C ATOM 811 O THR A 48 10.735 11.712 -3.922 1.00 0.00 O ATOM 812 CB THR A 48 11.556 11.025 -7.093 1.00 0.00 C ATOM 813 OG1 THR A 48 11.202 10.693 -8.424 1.00 0.00 O ATOM 814 CG2 THR A 48 12.559 9.999 -6.615 1.00 0.00 C ATOM 0 H THR A 48 9.283 12.336 -7.568 1.00 0.00 H new ATOM 0 HA THR A 48 10.113 10.131 -5.776 1.00 0.00 H new ATOM 0 HB THR A 48 12.018 12.011 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.011 10.644 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.417 9.989 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.889 10.254 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.094 9.013 -6.605 1.00 0.00 H new ATOM 822 N SER A 49 10.534 13.385 -5.411 1.00 0.00 N ATOM 823 CA SER A 49 10.748 14.438 -4.425 1.00 0.00 C ATOM 824 C SER A 49 10.528 15.815 -5.043 1.00 0.00 C ATOM 825 O SER A 49 11.205 16.780 -4.685 1.00 0.00 O ATOM 826 CB SER A 49 12.159 14.345 -3.844 1.00 0.00 C ATOM 827 OG SER A 49 12.189 13.499 -2.707 1.00 0.00 O ATOM 0 H SER A 49 10.377 13.723 -6.361 1.00 0.00 H new ATOM 0 HA SER A 49 10.024 14.301 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.843 13.964 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.509 15.340 -3.570 1.00 0.00 H new ATOM 0 HG SER A 49 11.864 12.608 -2.953 1.00 0.00 H new ATOM 833 N LYS A 50 9.582 15.900 -5.972 1.00 0.00 N ATOM 834 CA LYS A 50 9.276 17.161 -6.639 1.00 0.00 C ATOM 835 C LYS A 50 8.039 17.812 -6.031 1.00 0.00 C ATOM 836 O LYS A 50 8.010 19.021 -5.800 1.00 0.00 O ATOM 837 CB LYS A 50 9.063 16.930 -8.136 1.00 0.00 C ATOM 838 CG LYS A 50 10.323 17.118 -8.966 1.00 0.00 C ATOM 839 CD LYS A 50 10.926 15.784 -9.379 1.00 0.00 C ATOM 840 CE LYS A 50 10.634 15.465 -10.836 1.00 0.00 C ATOM 841 NZ LYS A 50 9.360 14.711 -10.997 1.00 0.00 N ATOM 0 H LYS A 50 9.014 15.111 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 50 10.123 17.833 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.685 15.919 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.296 17.616 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.089 17.703 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.055 17.687 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.004 15.807 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.527 14.992 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.581 16.392 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.456 14.881 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.528 13.865 -11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.006 14.424 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.655 15.316 -11.464 1.00 0.00 H new ATOM 855 N ASN A 51 7.016 17.002 -5.775 1.00 0.00 N ATOM 856 CA ASN A 51 5.773 17.497 -5.196 1.00 0.00 C ATOM 857 C ASN A 51 5.983 17.938 -3.751 1.00 0.00 C ATOM 858 O ASN A 51 5.869 17.137 -2.823 1.00 0.00 O ATOM 859 CB ASN A 51 4.690 16.417 -5.262 1.00 0.00 C ATOM 860 CG ASN A 51 3.653 16.703 -6.331 1.00 0.00 C ATOM 861 OD1 ASN A 51 3.350 15.849 -7.164 1.00 0.00 O ATOM 862 ND2 ASN A 51 3.101 17.911 -6.311 1.00 0.00 N ATOM 0 H ASN A 51 7.024 15.999 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 51 5.450 18.361 -5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.155 15.451 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.197 16.341 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.396 18.161 -7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.382 18.588 -5.602 1.00 0.00 H new ATOM 869 N ALA A 52 6.288 19.218 -3.568 1.00 0.00 N ATOM 870 CA ALA A 52 6.513 19.768 -2.237 1.00 0.00 C ATOM 871 C ALA A 52 5.213 20.295 -1.634 1.00 0.00 C ATOM 872 O ALA A 52 5.149 21.434 -1.168 1.00 0.00 O ATOM 873 CB ALA A 52 7.560 20.871 -2.292 1.00 0.00 C ATOM 0 H ALA A 52 6.385 19.894 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 52 6.881 18.967 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.718 21.273 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.497 20.464 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.216 21.667 -2.952 1.00 0.00 H new ATOM 879 N LYS A 53 4.181 19.459 -1.646 1.00 0.00 N ATOM 880 CA LYS A 53 2.882 19.840 -1.100 1.00 0.00 C ATOM 881 C LYS A 53 2.030 18.604 -0.820 1.00 0.00 C ATOM 882 O LYS A 53 1.485 18.449 0.274 1.00 0.00 O ATOM 883 CB LYS A 53 2.149 20.768 -2.070 1.00 0.00 C ATOM 884 CG LYS A 53 2.485 22.237 -1.875 1.00 0.00 C ATOM 885 CD LYS A 53 1.410 23.137 -2.461 1.00 0.00 C ATOM 886 CE LYS A 53 2.011 24.360 -3.133 1.00 0.00 C ATOM 887 NZ LYS A 53 2.522 24.049 -4.496 1.00 0.00 N ATOM 0 H LYS A 53 4.218 18.514 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 53 3.050 20.368 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.395 20.480 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.074 20.630 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.597 22.448 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.443 22.458 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.820 22.576 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.729 23.453 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.258 25.145 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.824 24.748 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.924 24.909 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.259 23.318 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.741 23.703 -5.089 1.00 0.00 H new ATOM 901 N PHE A 54 1.922 17.731 -1.814 1.00 0.00 N ATOM 902 CA PHE A 54 1.139 16.508 -1.678 1.00 0.00 C ATOM 903 C PHE A 54 1.889 15.319 -2.259 1.00 0.00 C ATOM 904 O PHE A 54 2.186 15.281 -3.454 1.00 0.00 O ATOM 905 CB PHE A 54 -0.217 16.660 -2.371 1.00 0.00 C ATOM 906 CG PHE A 54 -0.874 17.987 -2.123 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.717 18.166 -1.038 1.00 0.00 C ATOM 908 CD2 PHE A 54 -0.651 19.055 -2.979 1.00 0.00 C ATOM 909 CE1 PHE A 54 -2.323 19.387 -0.809 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.254 20.278 -2.753 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.091 20.444 -1.667 1.00 0.00 C ATOM 0 H PHE A 54 2.367 17.847 -2.724 1.00 0.00 H new ATOM 0 HA PHE A 54 0.974 16.329 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.084 16.525 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.881 15.866 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.903 17.343 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.001 18.930 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.978 19.514 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.071 21.103 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.563 21.399 -1.489 1.00 0.00 H new ATOM 921 N TYR A 55 2.190 14.346 -1.407 1.00 0.00 N ATOM 922 CA TYR A 55 2.906 13.156 -1.843 1.00 0.00 C ATOM 923 C TYR A 55 1.935 12.109 -2.373 1.00 0.00 C ATOM 924 O TYR A 55 1.180 11.502 -1.613 1.00 0.00 O ATOM 925 CB TYR A 55 3.722 12.573 -0.689 1.00 0.00 C ATOM 926 CG TYR A 55 4.895 13.436 -0.280 1.00 0.00 C ATOM 927 CD1 TYR A 55 5.975 13.623 -1.133 1.00 0.00 C ATOM 928 CD2 TYR A 55 4.920 14.065 0.958 1.00 0.00 C ATOM 929 CE1 TYR A 55 7.048 14.412 -0.762 1.00 0.00 C ATOM 930 CE2 TYR A 55 5.989 14.856 1.335 1.00 0.00 C ATOM 931 CZ TYR A 55 7.049 15.026 0.471 1.00 0.00 C ATOM 932 OH TYR A 55 8.115 15.812 0.843 1.00 0.00 O ATOM 0 H TYR A 55 1.950 14.358 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 55 3.584 13.442 -2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.068 12.431 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.089 11.588 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.977 13.145 -2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.091 13.934 1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.881 14.546 -1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 55 5.993 15.338 2.301 1.00 0.00 H new ATOM 0 HH TYR A 55 7.958 16.172 1.741 1.00 0.00 H new ATOM 942 N SER A 56 1.963 11.906 -3.683 1.00 0.00 N ATOM 943 CA SER A 56 1.088 10.935 -4.327 1.00 0.00 C ATOM 944 C SER A 56 1.746 9.559 -4.382 1.00 0.00 C ATOM 945 O SER A 56 2.840 9.405 -4.923 1.00 0.00 O ATOM 946 CB SER A 56 0.729 11.401 -5.739 1.00 0.00 C ATOM 947 OG SER A 56 -0.064 12.575 -5.703 1.00 0.00 O ATOM 0 H SER A 56 2.584 12.402 -4.322 1.00 0.00 H new ATOM 0 HA SER A 56 0.176 10.856 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.641 11.592 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.190 10.610 -6.260 1.00 0.00 H new ATOM 0 HG SER A 56 -0.278 12.853 -6.618 1.00 0.00 H new ATOM 953 N PHE A 57 1.068 8.564 -3.818 1.00 0.00 N ATOM 954 CA PHE A 57 1.585 7.200 -3.802 1.00 0.00 C ATOM 955 C PHE A 57 0.483 6.196 -4.128 1.00 0.00 C ATOM 956 O PHE A 57 -0.598 6.235 -3.543 1.00 0.00 O ATOM 957 CB PHE A 57 2.194 6.880 -2.435 1.00 0.00 C ATOM 958 CG PHE A 57 3.593 7.400 -2.263 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.834 8.762 -2.168 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.667 6.527 -2.197 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.119 9.242 -2.010 1.00 0.00 C ATOM 962 CE2 PHE A 57 5.955 7.003 -2.038 1.00 0.00 C ATOM 963 CZ PHE A 57 6.181 8.362 -1.945 1.00 0.00 C ATOM 0 H PHE A 57 0.160 8.677 -3.367 1.00 0.00 H new ATOM 0 HA PHE A 57 2.359 7.122 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.560 7.303 -1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.197 5.799 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.007 9.455 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.496 5.463 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.293 10.305 -1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.784 6.313 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.187 8.736 -1.822 1.00 0.00 H new ATOM 973 N ASN A 58 0.767 5.298 -5.066 1.00 0.00 N ATOM 974 CA ASN A 58 -0.203 4.283 -5.468 1.00 0.00 C ATOM 975 C ASN A 58 0.033 2.979 -4.714 1.00 0.00 C ATOM 976 O ASN A 58 1.098 2.769 -4.135 1.00 0.00 O ATOM 977 CB ASN A 58 -0.121 4.037 -6.976 1.00 0.00 C ATOM 978 CG ASN A 58 -1.487 3.873 -7.610 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.261 2.994 -7.230 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.793 4.722 -8.585 1.00 0.00 N ATOM 0 H ASN A 58 1.658 5.252 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.199 4.650 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.399 4.870 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.473 3.143 -7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.699 4.660 -9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.122 5.436 -8.869 1.00 0.00 H new ATOM 987 N VAL A 59 -0.969 2.104 -4.723 1.00 0.00 N ATOM 988 CA VAL A 59 -0.868 0.821 -4.037 1.00 0.00 C ATOM 989 C VAL A 59 -1.504 -0.296 -4.858 1.00 0.00 C ATOM 990 O VAL A 59 -2.721 -0.333 -5.034 1.00 0.00 O ATOM 991 CB VAL A 59 -1.541 0.865 -2.651 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.096 -0.316 -1.804 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.240 2.181 -1.949 1.00 0.00 C ATOM 0 H VAL A 59 -1.858 2.260 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 59 0.196 0.618 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.620 0.796 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.581 -0.268 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.373 -1.245 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.014 -0.283 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.724 2.192 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.163 2.287 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.617 3.009 -2.550 1.00 0.00 H new ATOM 1003 N SER A 60 -0.672 -1.205 -5.355 1.00 0.00 N ATOM 1004 CA SER A 60 -1.154 -2.327 -6.155 1.00 0.00 C ATOM 1005 C SER A 60 -1.119 -3.622 -5.349 1.00 0.00 C ATOM 1006 O SER A 60 -0.048 -4.161 -5.068 1.00 0.00 O ATOM 1007 CB SER A 60 -0.310 -2.475 -7.422 1.00 0.00 C ATOM 1008 OG SER A 60 -0.417 -1.328 -8.244 1.00 0.00 O ATOM 0 H SER A 60 0.339 -1.188 -5.219 1.00 0.00 H new ATOM 0 HA SER A 60 -2.187 -2.125 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.733 -2.635 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.634 -3.355 -7.977 1.00 0.00 H new ATOM 0 HG SER A 60 -1.029 -1.514 -8.987 1.00 0.00 H new ATOM 1014 N MET A 61 -2.296 -4.114 -4.980 1.00 0.00 N ATOM 1015 CA MET A 61 -2.402 -5.346 -4.206 1.00 0.00 C ATOM 1016 C MET A 61 -3.424 -6.291 -4.830 1.00 0.00 C ATOM 1017 O MET A 61 -4.341 -5.857 -5.527 1.00 0.00 O ATOM 1018 CB MET A 61 -2.792 -5.028 -2.761 1.00 0.00 C ATOM 1019 CG MET A 61 -2.984 -6.263 -1.894 1.00 0.00 C ATOM 1020 SD MET A 61 -1.455 -7.188 -1.652 1.00 0.00 S ATOM 1021 CE MET A 61 -2.099 -8.791 -1.180 1.00 0.00 C ATOM 0 H MET A 61 -3.191 -3.679 -5.204 1.00 0.00 H new ATOM 0 HA MET A 61 -1.430 -5.840 -4.211 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.021 -4.399 -2.316 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.715 -4.449 -2.762 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.380 -5.963 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.728 -6.913 -2.354 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.553 -9.162 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.156 -8.699 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.981 -9.489 -2.009 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.261 -7.585 -4.573 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.171 -8.592 -5.107 1.00 0.00 C ATOM 1033 C GLU A 62 -5.511 -8.558 -4.377 1.00 0.00 C ATOM 1034 O GLU A 62 -5.641 -9.091 -3.276 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.549 -9.984 -4.993 1.00 0.00 C ATOM 1036 CG GLU A 62 -2.342 -10.187 -5.894 1.00 0.00 C ATOM 1037 CD GLU A 62 -2.039 -11.652 -6.141 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -2.995 -12.454 -6.198 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -0.847 -11.997 -6.276 1.00 0.00 O ATOM 0 H GLU A 62 -2.507 -7.961 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.346 -8.366 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.253 -10.157 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.304 -10.731 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.518 -9.690 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.472 -9.711 -5.442 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.503 -7.930 -4.999 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.832 -7.828 -4.409 1.00 0.00 C ATOM 1048 C VAL A 63 -8.707 -9.008 -4.820 1.00 0.00 C ATOM 1049 O VAL A 63 -8.652 -9.464 -5.962 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.529 -6.516 -4.819 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.873 -6.378 -4.119 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.636 -5.323 -4.512 1.00 0.00 C ATOM 0 H VAL A 63 -6.411 -7.484 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.701 -7.837 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.710 -6.543 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.347 -5.445 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.513 -7.217 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.722 -6.373 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.142 -4.404 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.424 -5.293 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.701 -5.416 -5.065 1.00 0.00 H new ATOM 1062 N SER A 64 -9.509 -9.498 -3.881 1.00 0.00 N ATOM 1063 CA SER A 64 -10.394 -10.629 -4.142 1.00 0.00 C ATOM 1064 C SER A 64 -11.860 -10.209 -4.072 1.00 0.00 C ATOM 1065 O SER A 64 -12.716 -10.798 -4.732 1.00 0.00 O ATOM 1066 CB SER A 64 -10.126 -11.755 -3.144 1.00 0.00 C ATOM 1067 OG SER A 64 -10.688 -12.977 -3.587 1.00 0.00 O ATOM 0 H SER A 64 -9.565 -9.130 -2.931 1.00 0.00 H new ATOM 0 HA SER A 64 -10.189 -10.989 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.051 -11.875 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.544 -11.491 -2.173 1.00 0.00 H new ATOM 0 HG SER A 64 -10.500 -13.680 -2.931 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.145 -9.189 -3.266 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.510 -8.697 -3.113 1.00 0.00 C ATOM 1075 C ASN A 65 -13.551 -7.465 -2.210 1.00 0.00 C ATOM 1076 O ASN A 65 -12.513 -6.889 -1.883 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.410 -9.799 -2.545 1.00 0.00 C ATOM 1078 CG ASN A 65 -14.115 -10.111 -1.090 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.961 -9.913 -0.218 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.910 -10.601 -0.820 1.00 0.00 N ATOM 0 H ASN A 65 -11.451 -8.689 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.879 -8.409 -4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.452 -9.496 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.285 -10.705 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.656 -10.829 0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.239 -10.749 -1.574 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.756 -7.066 -1.816 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.932 -5.902 -0.954 1.00 0.00 C ATOM 1089 C GLU A 66 -14.204 -6.084 0.373 1.00 0.00 C ATOM 1090 O GLU A 66 -13.658 -5.129 0.927 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.420 -5.650 -0.699 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.186 -6.897 -0.285 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.658 -6.841 1.156 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -17.922 -5.725 1.651 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -17.764 -7.913 1.788 1.00 0.00 O ATOM 0 H GLU A 66 -15.625 -7.531 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.504 -5.040 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.524 -4.895 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.871 -5.240 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.047 -7.024 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.550 -7.772 -0.421 1.00 0.00 H new ATOM 1102 N SER A 67 -14.200 -7.312 0.882 1.00 0.00 N ATOM 1103 CA SER A 67 -13.536 -7.615 2.148 1.00 0.00 C ATOM 1104 C SER A 67 -12.097 -7.109 2.147 1.00 0.00 C ATOM 1105 O SER A 67 -11.677 -6.397 3.060 1.00 0.00 O ATOM 1106 CB SER A 67 -13.558 -9.120 2.416 1.00 0.00 C ATOM 1107 OG SER A 67 -14.718 -9.493 3.138 1.00 0.00 O ATOM 0 H SER A 67 -14.648 -8.114 0.439 1.00 0.00 H new ATOM 0 HA SER A 67 -14.081 -7.104 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.525 -9.661 1.470 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.669 -9.405 2.978 1.00 0.00 H new ATOM 0 HG SER A 67 -14.709 -10.460 3.295 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.348 -7.475 1.113 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.958 -7.051 0.996 1.00 0.00 C ATOM 1115 C GLU A 68 -9.879 -5.549 0.752 1.00 0.00 C ATOM 1116 O GLU A 68 -9.185 -4.832 1.469 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.248 -7.802 -0.137 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.735 -9.230 -0.329 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.624 -10.176 -0.742 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.976 -9.916 -1.778 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.402 -11.177 -0.030 1.00 0.00 O ATOM 0 H GLU A 68 -11.678 -8.062 0.347 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.455 -7.286 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.388 -7.252 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.177 -7.818 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.183 -9.585 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.519 -9.244 -1.086 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.598 -5.080 -0.266 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.614 -3.659 -0.611 1.00 0.00 C ATOM 1130 C ARG A 69 -10.747 -2.785 0.635 1.00 0.00 C ATOM 1131 O ARG A 69 -10.234 -1.667 0.681 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.760 -3.364 -1.579 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.841 -1.906 -2.001 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.811 -1.125 -1.126 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.295 0.199 -0.784 1.00 0.00 N ATOM 1136 CZ ARG A 69 -12.347 1.249 -1.600 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -12.890 1.135 -2.807 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -11.855 2.417 -1.210 1.00 0.00 N ATOM 0 H ARG A 69 -11.178 -5.664 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.665 -3.421 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.643 -3.985 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.702 -3.651 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.851 -1.454 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.158 -1.845 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.764 -1.020 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.006 -1.685 -0.212 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.870 0.326 0.134 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.270 0.239 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.927 1.943 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.437 2.511 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.895 3.222 -1.836 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.440 -3.305 1.645 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.637 -2.573 2.891 1.00 0.00 C ATOM 1154 C ASN A 70 -10.407 -2.690 3.787 1.00 0.00 C ATOM 1155 O ASN A 70 -10.092 -1.776 4.549 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.876 -3.095 3.623 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.905 -2.008 3.863 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.563 -0.834 4.004 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -15.175 -2.395 3.911 1.00 0.00 N ATOM 0 H ASN A 70 -11.873 -4.228 1.624 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.788 -1.521 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.328 -3.897 3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.576 -3.525 4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.912 -1.708 4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.413 -3.379 3.789 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.715 -3.820 3.686 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.517 -4.058 4.482 1.00 0.00 C ATOM 1168 C GLU A 71 -7.302 -3.391 3.846 1.00 0.00 C ATOM 1169 O GLU A 71 -6.429 -2.876 4.544 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.270 -5.561 4.631 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.737 -5.956 5.999 1.00 0.00 C ATOM 1172 CD GLU A 71 -8.243 -7.310 6.454 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -8.066 -8.293 5.703 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -8.817 -7.389 7.561 1.00 0.00 O ATOM 0 H GLU A 71 -9.964 -4.586 3.060 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.673 -3.623 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.202 -6.094 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.562 -5.882 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.647 -5.971 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.026 -5.200 6.729 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.251 -3.402 2.516 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.141 -2.798 1.789 1.00 0.00 C ATOM 1183 C ILE A 72 -6.175 -1.277 1.907 1.00 0.00 C ATOM 1184 O ILE A 72 -5.133 -0.620 1.883 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.156 -3.182 0.294 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.471 -4.673 0.121 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.821 -2.833 -0.353 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.245 -5.187 -1.283 1.00 0.00 C ATOM 0 H ILE A 72 -7.965 -3.823 1.922 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.227 -3.182 2.241 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.941 -2.612 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.854 -5.247 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.510 -4.850 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.844 -3.109 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.642 -1.762 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.021 -3.379 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.489 -6.248 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.882 -4.640 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.200 -5.044 -1.559 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.377 -0.723 2.032 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.545 0.721 2.149 1.00 0.00 C ATOM 1202 C PHE A 73 -7.202 1.200 3.556 1.00 0.00 C ATOM 1203 O PHE A 73 -6.529 2.217 3.729 1.00 0.00 O ATOM 1204 CB PHE A 73 -8.981 1.119 1.801 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.191 2.605 1.728 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.545 3.323 2.857 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.035 3.280 0.528 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.740 4.690 2.792 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.229 4.647 0.457 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.582 5.353 1.590 1.00 0.00 C ATOM 0 H PHE A 73 -8.249 -1.252 2.055 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.861 1.197 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.251 0.675 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.656 0.701 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.670 2.810 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.759 2.733 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.016 5.239 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.105 5.162 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.734 6.421 1.537 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.670 0.466 4.560 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.410 0.820 5.951 1.00 0.00 C ATOM 1222 C GLN A 74 -5.940 0.618 6.299 1.00 0.00 C ATOM 1223 O GLN A 74 -5.390 1.320 7.148 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.287 -0.017 6.884 1.00 0.00 C ATOM 1225 CG GLN A 74 -7.979 -1.504 6.840 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.016 -2.337 7.568 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -10.086 -2.626 7.032 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -8.702 -2.728 8.799 1.00 0.00 N ATOM 0 H GLN A 74 -8.231 -0.377 4.437 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.653 1.874 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.161 0.341 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.333 0.136 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.922 -1.829 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.999 -1.681 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.803 -2.465 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.360 -3.291 9.339 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.307 -0.346 5.639 1.00 0.00 N ATOM 1238 CA LYS A 75 -3.899 -0.640 5.879 1.00 0.00 C ATOM 1239 C LYS A 75 -3.013 0.508 5.406 1.00 0.00 C ATOM 1240 O LYS A 75 -2.065 0.894 6.090 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.497 -1.934 5.170 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.031 -3.188 5.842 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.070 -3.704 6.901 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.636 -4.915 7.624 1.00 0.00 C ATOM 1245 NZ LYS A 75 -3.397 -6.175 6.869 1.00 0.00 N ATOM 0 H LYS A 75 -5.747 -0.937 4.934 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.760 -0.764 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.857 -1.902 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.409 -1.991 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.997 -2.974 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.197 -3.961 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.121 -3.968 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.862 -2.913 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.182 -4.992 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.707 -4.780 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.110 -6.926 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.271 -6.458 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.643 -6.023 6.169 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.328 1.051 4.235 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.557 2.156 3.678 1.00 0.00 C ATOM 1261 C ILE A 76 -2.805 3.443 4.459 1.00 0.00 C ATOM 1262 O ILE A 76 -1.924 4.295 4.565 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.895 2.385 2.190 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.986 3.463 1.595 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.359 2.765 2.024 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.600 2.961 1.252 1.00 0.00 C ATOM 0 H ILE A 76 -4.109 0.745 3.655 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.504 1.885 3.759 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.723 1.454 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.452 3.864 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.901 4.287 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.577 2.922 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.989 1.963 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.562 3.683 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.010 3.777 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.115 2.587 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.675 2.157 0.520 1.00 0.00 H new ATOM 1278 N SER A 77 -4.010 3.574 5.004 1.00 0.00 N ATOM 1279 CA SER A 77 -4.372 4.755 5.778 1.00 0.00 C ATOM 1280 C SER A 77 -4.259 4.477 7.274 1.00 0.00 C ATOM 1281 O SER A 77 -4.938 5.105 8.086 1.00 0.00 O ATOM 1282 CB SER A 77 -5.796 5.198 5.435 1.00 0.00 C ATOM 1283 OG SER A 77 -6.025 6.538 5.835 1.00 0.00 O ATOM 0 H SER A 77 -4.751 2.878 4.924 1.00 0.00 H new ATOM 0 HA SER A 77 -3.679 5.556 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.961 5.103 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.513 4.541 5.927 1.00 0.00 H new ATOM 0 HG SER A 77 -5.761 6.649 6.772 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.397 3.530 7.631 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.195 3.168 9.029 1.00 0.00 C ATOM 1291 C GLN A 78 -2.667 4.357 9.828 1.00 0.00 C ATOM 1292 O GLN A 78 -3.011 4.535 10.996 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.225 1.990 9.140 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.840 0.754 9.777 1.00 0.00 C ATOM 1295 CD GLN A 78 -1.957 -0.470 9.645 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.436 -1.567 9.352 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -0.658 -0.292 9.860 1.00 0.00 N ATOM 0 H GLN A 78 -2.828 3.000 6.971 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.159 2.873 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.862 1.733 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.358 2.297 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.028 0.949 10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.805 0.553 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.303 0.634 10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.016 -1.081 9.785 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.830 5.168 9.189 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.252 6.339 9.840 1.00 0.00 C ATOM 1308 C LEU A 79 -2.196 7.536 9.744 1.00 0.00 C ATOM 1309 O LEU A 79 -3.306 7.423 9.225 1.00 0.00 O ATOM 1310 CB LEU A 79 0.098 6.684 9.209 1.00 0.00 C ATOM 1311 CG LEU A 79 1.318 6.120 9.942 1.00 0.00 C ATOM 1312 CD1 LEU A 79 2.418 5.766 8.954 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.824 7.113 10.975 1.00 0.00 C ATOM 0 H LEU A 79 -1.537 5.036 8.221 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.102 6.103 10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.107 6.316 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.192 7.769 9.159 1.00 0.00 H new ATOM 0 HG LEU A 79 1.018 5.209 10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.277 5.367 9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.050 5.017 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.717 6.660 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.691 6.696 11.486 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.107 8.041 10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.037 7.315 11.701 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.744 8.680 10.249 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.547 9.898 10.221 1.00 0.00 C ATOM 1327 C ASP A 80 -1.946 10.925 9.267 1.00 0.00 C ATOM 1328 O ASP A 80 -2.092 12.131 9.467 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.657 10.491 11.626 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.580 9.691 12.523 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -3.116 8.694 13.114 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.769 10.060 12.631 1.00 0.00 O ATOM 0 H ASP A 80 -0.827 8.789 10.682 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.544 9.639 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.666 10.535 12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.021 11.516 11.557 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.271 10.439 8.229 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.651 11.315 7.243 1.00 0.00 C ATOM 1339 C LYS A 81 -1.536 11.451 6.008 1.00 0.00 C ATOM 1340 O LYS A 81 -1.986 12.546 5.669 1.00 0.00 O ATOM 1341 CB LYS A 81 0.724 10.774 6.842 1.00 0.00 C ATOM 1342 CG LYS A 81 1.544 10.262 8.014 1.00 0.00 C ATOM 1343 CD LYS A 81 2.022 11.399 8.900 1.00 0.00 C ATOM 1344 CE LYS A 81 2.375 10.908 10.294 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.196 10.928 11.206 1.00 0.00 N ATOM 0 H LYS A 81 -1.140 9.443 8.050 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.529 12.300 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.591 9.966 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.282 11.562 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.944 9.568 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.403 9.704 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.894 11.872 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.245 12.161 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.769 9.894 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.166 11.533 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.520 11.023 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.583 11.733 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.661 10.042 11.102 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.781 10.327 5.342 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.612 10.301 4.141 1.00 0.00 C ATOM 1361 C VAL A 82 -3.890 11.116 4.326 1.00 0.00 C ATOM 1362 O VAL A 82 -4.559 11.019 5.355 1.00 0.00 O ATOM 1363 CB VAL A 82 -2.995 8.860 3.753 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.760 8.072 3.346 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.722 8.171 4.899 1.00 0.00 C ATOM 0 H VAL A 82 -1.413 9.416 5.615 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.016 10.744 3.343 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.671 8.901 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.049 7.057 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.286 8.554 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.058 8.039 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.984 7.155 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.074 8.140 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.630 8.725 5.139 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.218 11.921 3.322 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.409 12.756 3.370 1.00 0.00 C ATOM 1377 C VAL A 83 -6.272 12.551 2.125 1.00 0.00 C ATOM 1378 O VAL A 83 -7.500 12.513 2.211 1.00 0.00 O ATOM 1379 CB VAL A 83 -5.033 14.245 3.497 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.265 15.131 3.401 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.292 14.494 4.802 1.00 0.00 C ATOM 0 H VAL A 83 -3.674 12.012 2.464 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.981 12.459 4.249 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.373 14.501 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.970 16.176 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.751 14.975 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.959 14.877 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.033 15.550 4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.930 14.216 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.382 13.895 4.824 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.624 12.421 0.972 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.334 12.220 -0.285 1.00 0.00 C ATOM 1393 C GLN A 84 -6.310 10.751 -0.694 1.00 0.00 C ATOM 1394 O GLN A 84 -5.261 10.107 -0.674 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.718 13.084 -1.387 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.639 14.185 -1.884 1.00 0.00 C ATOM 1397 CD GLN A 84 -6.891 15.250 -0.836 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.183 16.256 -0.770 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.907 15.036 -0.007 1.00 0.00 N ATOM 0 H GLN A 84 -4.608 12.451 0.883 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.372 12.519 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.798 13.533 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.443 12.445 -2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.202 14.647 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.590 13.748 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.468 14.189 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.126 15.719 0.719 1.00 0.00 H new ATOM 1408 N THR A 85 -7.473 10.226 -1.065 1.00 0.00 N ATOM 1409 CA THR A 85 -7.585 8.832 -1.478 1.00 0.00 C ATOM 1410 C THR A 85 -8.542 8.691 -2.658 1.00 0.00 C ATOM 1411 O THR A 85 -9.601 9.316 -2.689 1.00 0.00 O ATOM 1412 CB THR A 85 -8.065 7.968 -0.311 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.131 8.599 0.375 1.00 0.00 O ATOM 1414 CG2 THR A 85 -6.979 7.672 0.700 1.00 0.00 C ATOM 0 H THR A 85 -8.351 10.745 -1.088 1.00 0.00 H new ATOM 0 HA THR A 85 -6.598 8.491 -1.790 1.00 0.00 H new ATOM 0 HB THR A 85 -8.387 7.028 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.116 8.334 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.386 7.055 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.163 7.140 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.605 8.607 1.116 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.161 7.863 -3.626 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.986 7.637 -4.808 1.00 0.00 C ATOM 1424 C LEU A 86 -9.247 8.945 -5.550 1.00 0.00 C ATOM 1425 O LEU A 86 -8.596 9.956 -5.210 1.00 0.00 O ATOM 1426 CB LEU A 86 -10.313 6.990 -4.412 1.00 0.00 C ATOM 1427 CG LEU A 86 -11.012 6.209 -5.527 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -10.222 4.958 -5.878 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -12.431 5.849 -5.114 1.00 0.00 C ATOM 1430 OXT LEU A 86 -10.097 8.947 -6.465 1.00 0.00 O ATOM 0 H LEU A 86 -7.287 7.338 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.445 6.965 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.135 6.316 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.988 7.769 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.062 6.841 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.734 4.415 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.225 5.240 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.140 4.320 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.914 5.294 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.403 5.234 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.994 6.761 -4.913 1.00 0.00 H new TER 1442 LEU A 86