USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 51 TYR OH : rot 144:sc= -0.165 USER MOD Set 1.2: A 82 SER OG : rot -121:sc= -7.71! USER MOD Set 2.1: A 24 MET CE :methyl -135:sc= -11! (180deg=-15.7!) USER MOD Set 2.2: A 45 CYS SG : rot -121:sc= -3.8! USER MOD Set 2.3: A 47 THR OG1 : rot 52:sc= 0.181 USER MOD Set 2.4: A 48 CYS SG : rot 121:sc= -2.51! USER MOD Set 2.5: A 86 CYS SG : rot -83:sc= -15.8! USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.194 USER MOD Set 4.2: A 25 GLN : amide:sc= -7.28! C(o=-7.1!,f=-5.8!) USER MOD Single : A 1 SER N :NH3+ -116:sc= -0.128 (180deg=-3.35!) USER MOD Single : A 1 SER OG : rot -140:sc= -0.792! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -84:sc= -7.18! USER MOD Single : A 7 SER OG : rot 87:sc= -11.2! USER MOD Single : A 8 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.38) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 66:sc= -0.745! USER MOD Single : A 30 ASN : amide:sc= -6.76! C(o=-6.8!,f=-6.4!) USER MOD Single : A 33 TYR OH : rot 167:sc= 0.693 USER MOD Single : A 49 HIS : no HE2:sc= -18.2! C(o=-18!,f=-24!) USER MOD Single : A 53 ASN : amide:sc= -18.1! C(o=-18!,f=-29!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.62 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0.473! (180deg=0.0165!) USER MOD Single : A 64 ASN : amide:sc= -3.42 K(o=-3.4,f=-14!) USER MOD Single : A 70 MET CE :methyl -122:sc= -19.2! (180deg=-29.6!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.12! C(o=-4.1!,f=-15!) USER MOD Single : A 85 SER OG : rot -136:sc= -2.58! USER MOD Single : A 87 GLN : amide:sc= -10.5! C(o=-10!,f=-13!) USER MOD Single : A 90 MET CE :methyl 167:sc= -3.99! (180deg=-4.54!) USER MOD Single : A 91 THR OG1 : rot -86:sc= -5.56! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.445 -11.106 -9.206 1.00 0.00 N ATOM 2 CA SER A 1 2.791 -9.719 -9.631 1.00 0.00 C ATOM 3 C SER A 1 3.945 -9.172 -8.786 1.00 0.00 C ATOM 4 O SER A 1 4.062 -9.464 -7.611 1.00 0.00 O ATOM 5 CB SER A 1 1.522 -8.896 -9.396 1.00 0.00 C ATOM 6 OG SER A 1 0.601 -9.661 -8.629 1.00 0.00 O ATOM 0 H1 SER A 1 2.635 -11.766 -9.987 1.00 0.00 H new ATOM 0 H2 SER A 1 3.021 -11.371 -8.382 1.00 0.00 H new ATOM 0 H3 SER A 1 1.437 -11.150 -8.952 1.00 0.00 H new ATOM 0 HA SER A 1 3.114 -9.682 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.766 -7.970 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.074 -8.616 -10.350 1.00 0.00 H new ATOM 0 HG SER A 1 -0.307 -9.516 -8.968 1.00 0.00 H new ATOM 14 N LYS A 2 4.792 -8.374 -9.374 1.00 0.00 N ATOM 15 CA LYS A 2 5.938 -7.797 -8.613 1.00 0.00 C ATOM 16 C LYS A 2 5.519 -6.480 -7.959 1.00 0.00 C ATOM 17 O LYS A 2 4.897 -5.644 -8.585 1.00 0.00 O ATOM 18 CB LYS A 2 7.013 -7.536 -9.665 1.00 0.00 C ATOM 19 CG LYS A 2 8.394 -7.588 -9.010 1.00 0.00 C ATOM 20 CD LYS A 2 9.354 -8.374 -9.905 1.00 0.00 C ATOM 21 CE LYS A 2 8.837 -9.805 -10.075 1.00 0.00 C ATOM 22 NZ LYS A 2 10.060 -10.637 -10.254 1.00 0.00 N ATOM 0 H LYS A 2 4.740 -8.095 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 2 6.285 -8.460 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.948 -8.280 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.855 -6.562 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.772 -6.578 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.326 -8.059 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.441 -7.889 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.351 -8.386 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.266 -10.125 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.175 -9.886 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.787 -11.633 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.580 -10.314 -11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.668 -10.546 -9.415 1.00 0.00 H new ATOM 36 N VAL A 3 5.848 -6.276 -6.713 1.00 0.00 N ATOM 37 CA VAL A 3 5.451 -5.000 -6.063 1.00 0.00 C ATOM 38 C VAL A 3 6.672 -4.252 -5.523 1.00 0.00 C ATOM 39 O VAL A 3 7.643 -4.840 -5.090 1.00 0.00 O ATOM 40 CB VAL A 3 4.508 -5.400 -4.931 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.402 -4.256 -3.924 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.125 -5.690 -5.508 1.00 0.00 C ATOM 0 H VAL A 3 6.367 -6.929 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 3 4.971 -4.322 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 3 4.895 -6.289 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.728 -4.543 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.388 -4.040 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.013 -3.368 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.448 -5.976 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.743 -4.797 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.195 -6.504 -6.230 1.00 0.00 H new ATOM 52 N VAL A 4 6.609 -2.950 -5.541 1.00 0.00 N ATOM 53 CA VAL A 4 7.740 -2.127 -5.024 1.00 0.00 C ATOM 54 C VAL A 4 7.192 -1.069 -4.073 1.00 0.00 C ATOM 55 O VAL A 4 6.246 -0.372 -4.381 1.00 0.00 O ATOM 56 CB VAL A 4 8.390 -1.503 -6.273 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.396 0.031 -6.203 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.831 -1.996 -6.389 1.00 0.00 C ATOM 0 H VAL A 4 5.816 -2.415 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 4 8.474 -2.704 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 4 7.805 -1.805 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.863 0.434 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.371 0.396 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.958 0.353 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.296 -1.557 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.389 -1.701 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.838 -3.082 -6.478 1.00 0.00 H new ATOM 68 N TYR A 5 7.769 -0.948 -2.925 1.00 0.00 N ATOM 69 CA TYR A 5 7.264 0.067 -1.966 1.00 0.00 C ATOM 70 C TYR A 5 8.239 1.200 -1.759 1.00 0.00 C ATOM 71 O TYR A 5 9.355 1.013 -1.337 1.00 0.00 O ATOM 72 CB TYR A 5 7.089 -0.638 -0.650 1.00 0.00 C ATOM 73 CG TYR A 5 6.124 -1.752 -0.802 1.00 0.00 C ATOM 74 CD1 TYR A 5 4.775 -1.452 -0.912 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.560 -3.080 -0.797 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.842 -2.477 -1.019 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.632 -4.100 -0.891 1.00 0.00 C ATOM 78 CZ TYR A 5 4.268 -3.813 -1.004 1.00 0.00 C ATOM 79 OH TYR A 5 3.354 -4.845 -1.086 1.00 0.00 O ATOM 0 H TYR A 5 8.564 -1.501 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 5 6.340 0.494 -2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.048 -1.021 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.733 0.064 0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.449 -0.422 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.613 -3.307 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.791 -2.245 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.963 -5.128 -0.877 1.00 0.00 H new ATOM 0 HH TYR A 5 2.999 -5.040 -0.193 1.00 0.00 H new ATOM 89 N VAL A 6 7.792 2.374 -1.993 1.00 0.00 N ATOM 90 CA VAL A 6 8.666 3.558 -1.750 1.00 0.00 C ATOM 91 C VAL A 6 8.423 4.067 -0.333 1.00 0.00 C ATOM 92 O VAL A 6 7.351 3.913 0.215 1.00 0.00 O ATOM 93 CB VAL A 6 8.253 4.622 -2.760 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.404 5.616 -2.952 1.00 0.00 C ATOM 95 CG2 VAL A 6 7.930 3.951 -4.088 1.00 0.00 C ATOM 0 H VAL A 6 6.858 2.585 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 6 9.722 3.311 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 6 7.374 5.154 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.110 6.378 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.638 6.090 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.284 5.088 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.634 4.707 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.811 3.423 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.114 3.242 -3.948 1.00 0.00 H new ATOM 105 N SER A 7 9.398 4.676 0.267 1.00 0.00 N ATOM 106 CA SER A 7 9.202 5.194 1.638 1.00 0.00 C ATOM 107 C SER A 7 9.260 6.716 1.617 1.00 0.00 C ATOM 108 O SER A 7 10.044 7.312 0.909 1.00 0.00 O ATOM 109 CB SER A 7 10.355 4.618 2.453 1.00 0.00 C ATOM 110 OG SER A 7 11.571 4.853 1.763 1.00 0.00 O ATOM 0 H SER A 7 10.322 4.837 -0.133 1.00 0.00 H new ATOM 0 HA SER A 7 8.238 4.912 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.387 5.080 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.210 3.549 2.607 1.00 0.00 H new ATOM 0 HG SER A 7 11.922 5.734 2.010 1.00 0.00 H new ATOM 116 N HIS A 8 8.432 7.342 2.388 1.00 0.00 N ATOM 117 CA HIS A 8 8.420 8.833 2.431 1.00 0.00 C ATOM 118 C HIS A 8 9.854 9.389 2.431 1.00 0.00 C ATOM 119 O HIS A 8 10.086 10.516 2.043 1.00 0.00 O ATOM 120 CB HIS A 8 7.692 9.191 3.735 1.00 0.00 C ATOM 121 CG HIS A 8 8.047 8.209 4.806 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.099 7.375 5.342 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.228 7.903 5.435 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.708 6.600 6.260 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.012 6.882 6.356 1.00 0.00 N ATOM 0 H HIS A 8 7.753 6.888 2.999 1.00 0.00 H new ATOM 0 HA HIS A 8 7.925 9.263 1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.965 10.198 4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.614 9.189 3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.178 8.381 5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.206 5.845 6.846 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.699 6.444 6.970 1.00 0.00 H new ATOM 133 N ASP A 9 10.819 8.615 2.866 1.00 0.00 N ATOM 134 CA ASP A 9 12.224 9.124 2.885 1.00 0.00 C ATOM 135 C ASP A 9 12.967 8.737 1.595 1.00 0.00 C ATOM 136 O ASP A 9 14.113 9.090 1.404 1.00 0.00 O ATOM 137 CB ASP A 9 12.872 8.474 4.113 1.00 0.00 C ATOM 138 CG ASP A 9 13.301 7.042 3.789 1.00 0.00 C ATOM 139 OD1 ASP A 9 12.794 6.497 2.826 1.00 0.00 O ATOM 140 OD2 ASP A 9 14.131 6.516 4.512 1.00 0.00 O ATOM 0 H ASP A 9 10.695 7.661 3.206 1.00 0.00 H new ATOM 0 HA ASP A 9 12.261 10.212 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.737 9.058 4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.168 8.471 4.946 1.00 0.00 H new ATOM 145 N GLY A 10 12.323 8.030 0.705 1.00 0.00 N ATOM 146 CA GLY A 10 12.996 7.645 -0.572 1.00 0.00 C ATOM 147 C GLY A 10 13.275 6.137 -0.612 1.00 0.00 C ATOM 148 O GLY A 10 13.262 5.530 -1.664 1.00 0.00 O ATOM 0 H GLY A 10 11.362 7.703 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.368 7.925 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.932 8.195 -0.675 1.00 0.00 H new ATOM 152 N THR A 11 13.530 5.524 0.512 1.00 0.00 N ATOM 153 CA THR A 11 13.809 4.067 0.509 1.00 0.00 C ATOM 154 C THR A 11 12.726 3.343 -0.287 1.00 0.00 C ATOM 155 O THR A 11 11.560 3.683 -0.245 1.00 0.00 O ATOM 156 CB THR A 11 13.824 3.658 1.996 1.00 0.00 C ATOM 157 OG1 THR A 11 15.124 3.197 2.334 1.00 0.00 O ATOM 158 CG2 THR A 11 12.807 2.545 2.287 1.00 0.00 C ATOM 0 H THR A 11 13.556 5.971 1.428 1.00 0.00 H new ATOM 0 HA THR A 11 14.756 3.808 0.035 1.00 0.00 H new ATOM 0 HB THR A 11 13.554 4.529 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.143 2.936 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.847 2.283 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.805 2.893 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.047 1.667 1.687 1.00 0.00 H new ATOM 166 N ARG A 12 13.121 2.359 -1.022 1.00 0.00 N ATOM 167 CA ARG A 12 12.143 1.597 -1.852 1.00 0.00 C ATOM 168 C ARG A 12 12.250 0.087 -1.584 1.00 0.00 C ATOM 169 O ARG A 12 13.304 -0.502 -1.718 1.00 0.00 O ATOM 170 CB ARG A 12 12.538 1.906 -3.297 1.00 0.00 C ATOM 171 CG ARG A 12 11.697 3.073 -3.818 1.00 0.00 C ATOM 172 CD ARG A 12 11.732 3.085 -5.348 1.00 0.00 C ATOM 173 NE ARG A 12 12.664 4.191 -5.702 1.00 0.00 N ATOM 174 CZ ARG A 12 13.512 4.040 -6.684 1.00 0.00 C ATOM 175 NH1 ARG A 12 13.076 3.886 -7.905 1.00 0.00 N ATOM 176 NH2 ARG A 12 14.794 4.043 -6.444 1.00 0.00 N ATOM 0 H ARG A 12 14.087 2.039 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 12 11.114 1.879 -1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.598 2.156 -3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.386 1.027 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.669 2.979 -3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.082 4.015 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.083 2.131 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.739 3.256 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 12 12.640 5.066 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.073 3.884 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.738 3.768 -8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.134 4.163 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.457 3.925 -7.210 1.00 0.00 H new ATOM 190 N ARG A 13 11.161 -0.547 -1.226 1.00 0.00 N ATOM 191 CA ARG A 13 11.194 -2.020 -0.972 1.00 0.00 C ATOM 192 C ARG A 13 10.600 -2.758 -2.171 1.00 0.00 C ATOM 193 O ARG A 13 9.840 -2.202 -2.937 1.00 0.00 O ATOM 194 CB ARG A 13 10.318 -2.249 0.262 1.00 0.00 C ATOM 195 CG ARG A 13 10.689 -3.584 0.910 1.00 0.00 C ATOM 196 CD ARG A 13 11.568 -3.333 2.137 1.00 0.00 C ATOM 197 NE ARG A 13 10.648 -2.762 3.160 1.00 0.00 N ATOM 198 CZ ARG A 13 10.942 -1.632 3.745 1.00 0.00 C ATOM 199 NH1 ARG A 13 11.562 -0.695 3.080 1.00 0.00 N ATOM 200 NH2 ARG A 13 10.617 -1.440 4.994 1.00 0.00 N ATOM 0 H ARG A 13 10.250 -0.107 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 13 12.210 -2.384 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.456 -1.436 0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.265 -2.250 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.787 -4.122 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.218 -4.213 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.026 -4.257 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.379 -2.643 1.907 1.00 0.00 H new ATOM 0 HE ARG A 13 9.788 -3.254 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.817 -0.846 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.792 0.188 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.133 -2.172 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.847 -0.557 5.451 1.00 0.00 H new ATOM 214 N GLU A 14 10.933 -4.005 -2.344 1.00 0.00 N ATOM 215 CA GLU A 14 10.371 -4.759 -3.499 1.00 0.00 C ATOM 216 C GLU A 14 9.797 -6.096 -3.045 1.00 0.00 C ATOM 217 O GLU A 14 10.402 -6.819 -2.278 1.00 0.00 O ATOM 218 CB GLU A 14 11.552 -4.986 -4.446 1.00 0.00 C ATOM 219 CG GLU A 14 11.262 -4.332 -5.796 1.00 0.00 C ATOM 220 CD GLU A 14 11.887 -5.171 -6.913 1.00 0.00 C ATOM 221 OE1 GLU A 14 13.080 -5.413 -6.849 1.00 0.00 O ATOM 222 OE2 GLU A 14 11.159 -5.557 -7.814 1.00 0.00 O ATOM 0 H GLU A 14 11.565 -4.532 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 14 9.558 -4.213 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.461 -4.567 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.725 -6.054 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.186 -4.248 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.667 -3.320 -5.817 1.00 0.00 H new ATOM 229 N LEU A 15 8.634 -6.437 -3.522 1.00 0.00 N ATOM 230 CA LEU A 15 8.025 -7.732 -3.127 1.00 0.00 C ATOM 231 C LEU A 15 7.687 -8.569 -4.346 1.00 0.00 C ATOM 232 O LEU A 15 7.199 -8.077 -5.344 1.00 0.00 O ATOM 233 CB LEU A 15 6.724 -7.382 -2.411 1.00 0.00 C ATOM 234 CG LEU A 15 6.977 -7.044 -0.947 1.00 0.00 C ATOM 235 CD1 LEU A 15 5.665 -7.123 -0.187 1.00 0.00 C ATOM 236 CD2 LEU A 15 7.891 -8.043 -0.300 1.00 0.00 C ATOM 0 H LEU A 15 8.080 -5.874 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 15 8.715 -8.302 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.249 -6.535 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.031 -8.220 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 15 7.423 -6.050 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.837 -6.882 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.956 -6.412 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.259 -8.131 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.049 -7.770 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.441 -9.034 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.848 -8.052 -0.821 1.00 0.00 H new ATOM 248 N ASP A 16 7.884 -9.841 -4.240 1.00 0.00 N ATOM 249 CA ASP A 16 7.510 -10.736 -5.354 1.00 0.00 C ATOM 250 C ASP A 16 6.170 -11.348 -4.976 1.00 0.00 C ATOM 251 O ASP A 16 6.096 -12.432 -4.431 1.00 0.00 O ATOM 252 CB ASP A 16 8.610 -11.797 -5.424 1.00 0.00 C ATOM 253 CG ASP A 16 9.969 -11.114 -5.588 1.00 0.00 C ATOM 254 OD1 ASP A 16 10.067 -10.224 -6.416 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.890 -11.494 -4.883 1.00 0.00 O ATOM 0 H ASP A 16 8.290 -10.303 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 16 7.418 -10.241 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.603 -12.403 -4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.427 -12.471 -6.261 1.00 0.00 H new ATOM 260 N VAL A 17 5.111 -10.633 -5.216 1.00 0.00 N ATOM 261 CA VAL A 17 3.773 -11.136 -4.821 1.00 0.00 C ATOM 262 C VAL A 17 3.072 -11.773 -6.013 1.00 0.00 C ATOM 263 O VAL A 17 3.529 -11.686 -7.134 1.00 0.00 O ATOM 264 CB VAL A 17 3.024 -9.891 -4.342 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.536 -10.210 -4.222 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.563 -9.473 -2.973 1.00 0.00 C ATOM 0 H VAL A 17 5.115 -9.720 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 17 3.823 -11.905 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 17 3.168 -9.080 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.000 -9.324 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.150 -10.515 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.394 -11.019 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.032 -8.586 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.415 -10.284 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.627 -9.250 -3.053 1.00 0.00 H new ATOM 276 N ALA A 18 1.976 -12.437 -5.777 1.00 0.00 N ATOM 277 CA ALA A 18 1.266 -13.105 -6.908 1.00 0.00 C ATOM 278 C ALA A 18 -0.200 -12.681 -6.978 1.00 0.00 C ATOM 279 O ALA A 18 -0.564 -11.580 -6.618 1.00 0.00 O ATOM 280 CB ALA A 18 1.363 -14.600 -6.614 1.00 0.00 C ATOM 0 H ALA A 18 1.542 -12.547 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 18 1.711 -12.836 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.862 -15.159 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.411 -14.895 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.885 -14.815 -5.658 1.00 0.00 H new ATOM 286 N ASP A 19 -1.039 -13.560 -7.457 1.00 0.00 N ATOM 287 CA ASP A 19 -2.481 -13.248 -7.583 1.00 0.00 C ATOM 288 C ASP A 19 -3.231 -13.660 -6.315 1.00 0.00 C ATOM 289 O ASP A 19 -3.209 -14.804 -5.905 1.00 0.00 O ATOM 290 CB ASP A 19 -2.933 -14.072 -8.795 1.00 0.00 C ATOM 291 CG ASP A 19 -3.284 -15.502 -8.369 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.374 -16.237 -8.028 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.458 -15.834 -8.393 1.00 0.00 O ATOM 0 H ASP A 19 -0.776 -14.495 -7.770 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.679 -12.184 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.799 -13.601 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.141 -14.093 -9.544 1.00 0.00 H new ATOM 298 N GLY A 20 -3.895 -12.732 -5.699 1.00 0.00 N ATOM 299 CA GLY A 20 -4.657 -13.055 -4.461 1.00 0.00 C ATOM 300 C GLY A 20 -3.982 -12.408 -3.251 1.00 0.00 C ATOM 301 O GLY A 20 -4.519 -12.408 -2.161 1.00 0.00 O ATOM 0 H GLY A 20 -3.946 -11.758 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.683 -12.697 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.707 -14.135 -4.326 1.00 0.00 H new ATOM 305 N VAL A 21 -2.813 -11.852 -3.425 1.00 0.00 N ATOM 306 CA VAL A 21 -2.131 -11.209 -2.267 1.00 0.00 C ATOM 307 C VAL A 21 -2.393 -9.707 -2.260 1.00 0.00 C ATOM 308 O VAL A 21 -2.896 -9.134 -3.201 1.00 0.00 O ATOM 309 CB VAL A 21 -0.633 -11.468 -2.461 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.194 -10.511 -1.600 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.284 -12.904 -2.068 1.00 0.00 C ATOM 0 H VAL A 21 -2.306 -11.815 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.496 -11.613 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.401 -11.307 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.255 -10.710 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.026 -9.482 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.057 -10.658 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.783 -13.071 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.539 -13.067 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.847 -13.599 -2.691 1.00 0.00 H new ATOM 321 N SER A 22 -2.019 -9.084 -1.195 1.00 0.00 N ATOM 322 CA SER A 22 -2.176 -7.609 -1.053 1.00 0.00 C ATOM 323 C SER A 22 -0.794 -7.006 -0.814 1.00 0.00 C ATOM 324 O SER A 22 0.134 -7.720 -0.491 1.00 0.00 O ATOM 325 CB SER A 22 -3.057 -7.423 0.186 1.00 0.00 C ATOM 326 OG SER A 22 -3.189 -8.666 0.866 1.00 0.00 O ATOM 0 H SER A 22 -1.597 -9.542 -0.387 1.00 0.00 H new ATOM 0 HA SER A 22 -2.615 -7.132 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.617 -6.678 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.039 -7.050 -0.106 1.00 0.00 H new ATOM 0 HG SER A 22 -3.751 -8.547 1.660 1.00 0.00 H new ATOM 332 N LEU A 23 -0.620 -5.713 -0.919 1.00 0.00 N ATOM 333 CA LEU A 23 0.741 -5.187 -0.629 1.00 0.00 C ATOM 334 C LEU A 23 1.002 -5.327 0.878 1.00 0.00 C ATOM 335 O LEU A 23 2.091 -5.080 1.356 1.00 0.00 O ATOM 336 CB LEU A 23 0.807 -3.715 -1.079 1.00 0.00 C ATOM 337 CG LEU A 23 0.019 -3.491 -2.363 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.300 -2.083 -2.890 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.464 -4.516 -3.401 1.00 0.00 C ATOM 0 H LEU A 23 -1.328 -5.027 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 23 1.507 -5.744 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.412 -3.074 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.847 -3.426 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.048 -3.600 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.263 -1.920 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.002 -1.348 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.366 -1.976 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.094 -4.364 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.529 -4.396 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.275 -5.521 -3.024 1.00 0.00 H new ATOM 351 N MET A 24 0.006 -5.752 1.628 1.00 0.00 N ATOM 352 CA MET A 24 0.196 -5.943 3.095 1.00 0.00 C ATOM 353 C MET A 24 0.801 -7.311 3.360 1.00 0.00 C ATOM 354 O MET A 24 1.933 -7.441 3.767 1.00 0.00 O ATOM 355 CB MET A 24 -1.219 -5.826 3.721 1.00 0.00 C ATOM 356 CG MET A 24 -1.455 -6.854 4.856 1.00 0.00 C ATOM 357 SD MET A 24 -1.872 -5.992 6.391 1.00 0.00 S ATOM 358 CE MET A 24 -0.560 -4.751 6.324 1.00 0.00 C ATOM 0 H MET A 24 -0.927 -5.973 1.281 1.00 0.00 H new ATOM 0 HA MET A 24 0.874 -5.205 3.524 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.356 -4.819 4.114 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.969 -5.970 2.944 1.00 0.00 H new ATOM 0 HG2 MET A 24 -2.261 -7.534 4.580 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.561 -7.461 5.001 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.093 -4.662 7.305 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.189 -5.053 5.592 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.983 -3.789 6.035 1.00 0.00 H new ATOM 368 N GLN A 25 0.022 -8.322 3.187 1.00 0.00 N ATOM 369 CA GLN A 25 0.491 -9.689 3.483 1.00 0.00 C ATOM 370 C GLN A 25 1.925 -9.937 2.974 1.00 0.00 C ATOM 371 O GLN A 25 2.787 -10.259 3.759 1.00 0.00 O ATOM 372 CB GLN A 25 -0.583 -10.577 2.844 1.00 0.00 C ATOM 373 CG GLN A 25 0.000 -11.582 1.852 1.00 0.00 C ATOM 374 CD GLN A 25 -1.164 -12.296 1.161 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.119 -13.492 0.949 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.218 -11.605 0.797 1.00 0.00 N ATOM 0 H GLN A 25 -0.938 -8.261 2.847 1.00 0.00 H new ATOM 0 HA GLN A 25 0.590 -9.899 4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.119 -11.114 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.312 -9.948 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.625 -11.074 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.636 -12.301 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.256 -10.601 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.999 -12.071 0.336 1.00 0.00 H new ATOM 385 N ALA A 26 2.228 -9.783 1.707 1.00 0.00 N ATOM 386 CA ALA A 26 3.651 -10.027 1.301 1.00 0.00 C ATOM 387 C ALA A 26 4.548 -9.091 2.105 1.00 0.00 C ATOM 388 O ALA A 26 5.443 -9.511 2.810 1.00 0.00 O ATOM 389 CB ALA A 26 3.776 -9.686 -0.191 1.00 0.00 C ATOM 0 H ALA A 26 1.585 -9.511 0.964 1.00 0.00 H new ATOM 0 HA ALA A 26 3.941 -11.062 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.802 -9.853 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.103 -10.322 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.511 -8.641 -0.349 1.00 0.00 H new ATOM 395 N ALA A 27 4.300 -7.814 1.988 1.00 0.00 N ATOM 396 CA ALA A 27 5.114 -6.806 2.718 1.00 0.00 C ATOM 397 C ALA A 27 5.183 -7.166 4.201 1.00 0.00 C ATOM 398 O ALA A 27 6.245 -7.364 4.758 1.00 0.00 O ATOM 399 CB ALA A 27 4.352 -5.499 2.506 1.00 0.00 C ATOM 0 H ALA A 27 3.557 -7.424 1.409 1.00 0.00 H new ATOM 0 HA ALA A 27 6.144 -6.746 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.876 -4.687 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.289 -5.284 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.347 -5.593 2.917 1.00 0.00 H new ATOM 405 N VAL A 28 4.050 -7.267 4.829 1.00 0.00 N ATOM 406 CA VAL A 28 4.003 -7.634 6.269 1.00 0.00 C ATOM 407 C VAL A 28 5.046 -8.718 6.558 1.00 0.00 C ATOM 408 O VAL A 28 6.063 -8.467 7.170 1.00 0.00 O ATOM 409 CB VAL A 28 2.590 -8.176 6.446 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.503 -9.018 7.717 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.604 -7.023 6.546 1.00 0.00 C ATOM 0 H VAL A 28 3.139 -7.108 4.399 1.00 0.00 H new ATOM 0 HA VAL A 28 4.221 -6.805 6.943 1.00 0.00 H new ATOM 0 HB VAL A 28 2.345 -8.796 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.488 -9.399 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.199 -9.854 7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.759 -8.403 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.595 -7.417 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.860 -6.399 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.649 -6.426 5.635 1.00 0.00 H new ATOM 421 N SER A 29 4.809 -9.916 6.096 1.00 0.00 N ATOM 422 CA SER A 29 5.802 -11.010 6.318 1.00 0.00 C ATOM 423 C SER A 29 7.188 -10.518 5.937 1.00 0.00 C ATOM 424 O SER A 29 8.150 -10.695 6.657 1.00 0.00 O ATOM 425 CB SER A 29 5.410 -12.121 5.364 1.00 0.00 C ATOM 426 OG SER A 29 4.237 -11.754 4.658 1.00 0.00 O ATOM 0 H SER A 29 3.974 -10.185 5.576 1.00 0.00 H new ATOM 0 HA SER A 29 5.813 -11.337 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.222 -12.315 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.239 -13.045 5.917 1.00 0.00 H new ATOM 0 HG SER A 29 4.430 -10.987 4.079 1.00 0.00 H new ATOM 432 N ASN A 30 7.287 -9.885 4.803 1.00 0.00 N ATOM 433 CA ASN A 30 8.598 -9.352 4.352 1.00 0.00 C ATOM 434 C ASN A 30 9.120 -8.351 5.384 1.00 0.00 C ATOM 435 O ASN A 30 10.249 -7.904 5.323 1.00 0.00 O ATOM 436 CB ASN A 30 8.286 -8.672 3.020 1.00 0.00 C ATOM 437 CG ASN A 30 8.674 -9.613 1.880 1.00 0.00 C ATOM 438 OD1 ASN A 30 9.815 -9.651 1.465 1.00 0.00 O ATOM 439 ND2 ASN A 30 7.760 -10.380 1.351 1.00 0.00 N ATOM 0 H ASN A 30 6.509 -9.713 4.166 1.00 0.00 H new ATOM 0 HA ASN A 30 9.367 -10.116 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.226 -8.427 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.835 -7.734 2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.004 -11.012 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.802 -10.347 1.700 1.00 0.00 H new ATOM 446 N GLY A 31 8.302 -8.009 6.342 1.00 0.00 N ATOM 447 CA GLY A 31 8.737 -7.052 7.401 1.00 0.00 C ATOM 448 C GLY A 31 8.559 -5.615 6.925 1.00 0.00 C ATOM 449 O GLY A 31 8.740 -4.689 7.691 1.00 0.00 O ATOM 0 H GLY A 31 7.346 -8.353 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.156 -7.216 8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.782 -7.231 7.655 1.00 0.00 H new ATOM 453 N ILE A 32 8.190 -5.405 5.682 1.00 0.00 N ATOM 454 CA ILE A 32 7.982 -3.999 5.212 1.00 0.00 C ATOM 455 C ILE A 32 7.187 -3.286 6.306 1.00 0.00 C ATOM 456 O ILE A 32 7.428 -2.143 6.640 1.00 0.00 O ATOM 457 CB ILE A 32 7.191 -4.105 3.907 1.00 0.00 C ATOM 458 CG1 ILE A 32 7.838 -5.167 3.003 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.202 -2.750 3.193 1.00 0.00 C ATOM 460 CD1 ILE A 32 7.415 -4.953 1.546 1.00 0.00 C ATOM 0 H ILE A 32 8.027 -6.132 4.985 1.00 0.00 H new ATOM 0 HA ILE A 32 8.902 -3.444 5.031 1.00 0.00 H new ATOM 0 HB ILE A 32 6.162 -4.391 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.923 -5.112 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.543 -6.163 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.639 -2.824 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.745 -1.997 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.230 -2.463 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.880 -5.712 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.331 -5.031 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.733 -3.964 1.216 1.00 0.00 H new ATOM 472 N TYR A 33 6.304 -4.022 6.926 1.00 0.00 N ATOM 473 CA TYR A 33 5.536 -3.490 8.086 1.00 0.00 C ATOM 474 C TYR A 33 5.387 -4.611 9.102 1.00 0.00 C ATOM 475 O TYR A 33 4.674 -5.566 8.870 1.00 0.00 O ATOM 476 CB TYR A 33 4.128 -3.074 7.639 1.00 0.00 C ATOM 477 CG TYR A 33 3.999 -2.965 6.153 1.00 0.00 C ATOM 478 CD1 TYR A 33 4.807 -2.093 5.421 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.025 -3.727 5.517 1.00 0.00 C ATOM 480 CE1 TYR A 33 4.636 -1.992 4.032 1.00 0.00 C ATOM 481 CE2 TYR A 33 2.848 -3.628 4.144 1.00 0.00 C ATOM 482 CZ TYR A 33 3.652 -2.760 3.392 1.00 0.00 C ATOM 483 OH TYR A 33 3.476 -2.662 2.026 1.00 0.00 O ATOM 0 H TYR A 33 6.080 -4.984 6.673 1.00 0.00 H new ATOM 0 HA TYR A 33 6.058 -2.630 8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.405 -3.801 8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.877 -2.115 8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.559 -1.500 5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.405 -4.398 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.261 -1.324 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.090 -4.221 3.654 1.00 0.00 H new ATOM 0 HH TYR A 33 2.910 -3.399 1.715 1.00 0.00 H new ATOM 559 N CYS A 39 -4.367 -6.200 10.233 1.00 0.00 N ATOM 560 CA CYS A 39 -5.319 -6.368 9.090 1.00 0.00 C ATOM 561 C CYS A 39 -5.455 -7.848 8.731 1.00 0.00 C ATOM 562 O CYS A 39 -6.544 -8.382 8.684 1.00 0.00 O ATOM 563 CB CYS A 39 -4.751 -5.577 7.897 1.00 0.00 C ATOM 564 SG CYS A 39 -2.942 -5.726 7.820 1.00 0.00 S ATOM 0 HA CYS A 39 -6.309 -5.998 9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.190 -5.945 6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.030 -4.527 7.986 1.00 0.00 H new ATOM 569 N GLY A 40 -4.361 -8.515 8.473 1.00 0.00 N ATOM 570 CA GLY A 40 -4.442 -9.959 8.110 1.00 0.00 C ATOM 571 C GLY A 40 -5.590 -10.153 7.120 1.00 0.00 C ATOM 572 O GLY A 40 -6.416 -11.030 7.274 1.00 0.00 O ATOM 0 H GLY A 40 -3.419 -8.124 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.502 -10.291 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.606 -10.564 9.002 1.00 0.00 H new ATOM 576 N GLY A 41 -5.652 -9.327 6.112 1.00 0.00 N ATOM 577 CA GLY A 41 -6.754 -9.446 5.119 1.00 0.00 C ATOM 578 C GLY A 41 -8.013 -8.787 5.686 1.00 0.00 C ATOM 579 O GLY A 41 -9.119 -9.109 5.305 1.00 0.00 O ATOM 0 H GLY A 41 -4.986 -8.575 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.469 -8.968 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.947 -10.495 4.896 1.00 0.00 H new ATOM 583 N SER A 42 -7.849 -7.863 6.597 1.00 0.00 N ATOM 584 CA SER A 42 -9.037 -7.183 7.191 1.00 0.00 C ATOM 585 C SER A 42 -9.016 -5.689 6.862 1.00 0.00 C ATOM 586 O SER A 42 -10.043 -5.086 6.620 1.00 0.00 O ATOM 587 CB SER A 42 -8.918 -7.406 8.697 1.00 0.00 C ATOM 588 OG SER A 42 -10.163 -7.111 9.315 1.00 0.00 O ATOM 0 H SER A 42 -6.946 -7.551 6.954 1.00 0.00 H new ATOM 0 HA SER A 42 -9.973 -7.578 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.633 -8.438 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.134 -6.770 9.110 1.00 0.00 H new ATOM 0 HG SER A 42 -10.091 -7.255 10.282 1.00 0.00 H new ATOM 594 N ALA A 43 -7.856 -5.091 6.843 1.00 0.00 N ATOM 595 CA ALA A 43 -7.765 -3.636 6.517 1.00 0.00 C ATOM 596 C ALA A 43 -8.302 -2.775 7.661 1.00 0.00 C ATOM 597 O ALA A 43 -9.241 -2.023 7.497 1.00 0.00 O ATOM 598 CB ALA A 43 -8.618 -3.442 5.271 1.00 0.00 C ATOM 0 H ALA A 43 -6.965 -5.547 7.039 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.730 -3.334 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.596 -2.393 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.224 -4.056 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.645 -3.738 5.484 1.00 0.00 H new ATOM 604 N SER A 44 -7.709 -2.870 8.811 1.00 0.00 N ATOM 605 CA SER A 44 -8.171 -2.036 9.963 1.00 0.00 C ATOM 606 C SER A 44 -6.976 -1.341 10.636 1.00 0.00 C ATOM 607 O SER A 44 -7.078 -0.852 11.743 1.00 0.00 O ATOM 608 CB SER A 44 -8.827 -3.024 10.926 1.00 0.00 C ATOM 609 OG SER A 44 -8.230 -4.304 10.765 1.00 0.00 O ATOM 0 H SER A 44 -6.922 -3.488 9.011 1.00 0.00 H new ATOM 0 HA SER A 44 -8.858 -1.249 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.708 -2.681 11.954 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.898 -3.082 10.732 1.00 0.00 H new ATOM 0 HG SER A 44 -8.648 -4.940 11.383 1.00 0.00 H new ATOM 615 N CYS A 45 -5.835 -1.324 9.992 1.00 0.00 N ATOM 616 CA CYS A 45 -4.631 -0.689 10.629 1.00 0.00 C ATOM 617 C CYS A 45 -4.141 0.585 9.930 1.00 0.00 C ATOM 618 O CYS A 45 -3.797 0.591 8.776 1.00 0.00 O ATOM 619 CB CYS A 45 -3.502 -1.740 10.652 1.00 0.00 C ATOM 620 SG CYS A 45 -4.062 -3.306 9.945 1.00 0.00 S ATOM 0 H CYS A 45 -5.682 -1.717 9.063 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.921 -0.373 11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.644 -1.370 10.091 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.168 -1.898 11.678 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.940 -4.250 10.830 1.00 0.00 H new ATOM 625 N ALA A 46 -4.045 1.661 10.658 1.00 0.00 N ATOM 626 CA ALA A 46 -3.527 2.918 10.052 1.00 0.00 C ATOM 627 C ALA A 46 -1.998 2.865 9.969 1.00 0.00 C ATOM 628 O ALA A 46 -1.354 3.822 9.589 1.00 0.00 O ATOM 629 CB ALA A 46 -3.970 4.029 11.004 1.00 0.00 C ATOM 0 H ALA A 46 -4.302 1.725 11.643 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.900 3.076 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.625 4.991 10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.058 4.035 11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.543 3.854 11.992 1.00 0.00 H new ATOM 635 N THR A 47 -1.412 1.755 10.330 1.00 0.00 N ATOM 636 CA THR A 47 0.075 1.643 10.280 1.00 0.00 C ATOM 637 C THR A 47 0.531 1.089 8.927 1.00 0.00 C ATOM 638 O THR A 47 1.654 1.294 8.512 1.00 0.00 O ATOM 639 CB THR A 47 0.434 0.671 11.405 1.00 0.00 C ATOM 640 OG1 THR A 47 -0.473 -0.422 11.392 1.00 0.00 O ATOM 641 CG2 THR A 47 0.351 1.390 12.751 1.00 0.00 C ATOM 0 H THR A 47 -1.899 0.921 10.657 1.00 0.00 H new ATOM 0 HA THR A 47 0.562 2.611 10.400 1.00 0.00 H new ATOM 0 HB THR A 47 1.449 0.303 11.256 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.510 -0.806 10.491 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.607 0.695 13.551 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.049 2.227 12.760 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.663 1.761 12.903 1.00 0.00 H new ATOM 649 N CYS A 48 -0.326 0.392 8.233 1.00 0.00 N ATOM 650 CA CYS A 48 0.073 -0.166 6.906 1.00 0.00 C ATOM 651 C CYS A 48 -0.368 0.779 5.786 1.00 0.00 C ATOM 652 O CYS A 48 -0.353 0.427 4.628 1.00 0.00 O ATOM 653 CB CYS A 48 -0.600 -1.548 6.762 1.00 0.00 C ATOM 654 SG CYS A 48 -1.100 -2.244 8.353 1.00 0.00 S ATOM 0 H CYS A 48 -1.281 0.184 8.524 1.00 0.00 H new ATOM 0 HA CYS A 48 1.156 -0.271 6.837 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.475 -1.457 6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.089 -2.234 6.269 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.383 -2.454 8.351 1.00 0.00 H new ATOM 659 N HIS A 49 -0.745 1.989 6.107 1.00 0.00 N ATOM 660 CA HIS A 49 -1.155 2.921 5.020 1.00 0.00 C ATOM 661 C HIS A 49 -0.072 2.926 3.944 1.00 0.00 C ATOM 662 O HIS A 49 1.106 2.952 4.242 1.00 0.00 O ATOM 663 CB HIS A 49 -1.281 4.305 5.660 1.00 0.00 C ATOM 664 CG HIS A 49 -1.903 5.245 4.658 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.952 6.618 4.849 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.503 5.017 3.445 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.563 7.153 3.772 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.912 6.220 2.888 1.00 0.00 N ATOM 0 H HIS A 49 -0.786 2.365 7.054 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.097 2.627 4.557 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.894 4.251 6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.301 4.672 5.964 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.592 7.129 5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.637 4.046 2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.747 8.209 3.642 1.00 0.00 H new ATOM 676 N VAL A 50 -0.448 2.900 2.699 1.00 0.00 N ATOM 677 CA VAL A 50 0.572 2.903 1.625 1.00 0.00 C ATOM 678 C VAL A 50 0.082 3.741 0.465 1.00 0.00 C ATOM 679 O VAL A 50 -1.098 3.971 0.301 1.00 0.00 O ATOM 680 CB VAL A 50 0.721 1.455 1.182 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.404 0.647 2.283 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.663 0.884 0.886 1.00 0.00 C ATOM 0 H VAL A 50 -1.417 2.877 2.381 1.00 0.00 H new ATOM 0 HA VAL A 50 1.519 3.317 1.970 1.00 0.00 H new ATOM 0 HB VAL A 50 1.334 1.402 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.509 -0.389 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.390 1.066 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.801 0.687 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.568 -0.154 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.277 0.933 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.134 1.465 0.093 1.00 0.00 H new ATOM 692 N TYR A 51 0.984 4.183 -0.339 1.00 0.00 N ATOM 693 CA TYR A 51 0.602 5.012 -1.510 1.00 0.00 C ATOM 694 C TYR A 51 0.997 4.297 -2.796 1.00 0.00 C ATOM 695 O TYR A 51 2.154 4.174 -3.123 1.00 0.00 O ATOM 696 CB TYR A 51 1.399 6.302 -1.335 1.00 0.00 C ATOM 697 CG TYR A 51 0.629 7.305 -0.488 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.608 6.962 0.086 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.136 8.605 -0.314 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.322 7.907 0.828 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.410 9.554 0.421 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.820 9.203 0.991 1.00 0.00 C ATOM 703 OH TYR A 51 -1.540 10.132 1.709 1.00 0.00 O ATOM 0 H TYR A 51 1.984 4.008 -0.241 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.470 5.200 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.357 6.081 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.616 6.735 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.007 5.967 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.088 8.874 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.266 7.636 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.799 10.554 0.547 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.924 10.708 2.209 1.00 0.00 H new ATOM 713 N VAL A 52 0.036 3.835 -3.532 1.00 0.00 N ATOM 714 CA VAL A 52 0.361 3.129 -4.813 1.00 0.00 C ATOM 715 C VAL A 52 0.514 4.189 -5.930 1.00 0.00 C ATOM 716 O VAL A 52 0.058 5.304 -5.775 1.00 0.00 O ATOM 717 CB VAL A 52 -0.822 2.195 -5.095 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.439 1.214 -6.214 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.155 1.392 -3.837 1.00 0.00 C ATOM 0 H VAL A 52 -0.957 3.910 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 52 1.288 2.559 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.685 2.791 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.278 0.548 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.191 1.771 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.424 0.626 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.996 0.729 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.289 0.799 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.418 2.074 -3.029 1.00 0.00 H new ATOM 729 N ASN A 53 1.130 3.881 -7.052 1.00 0.00 N ATOM 730 CA ASN A 53 1.256 4.926 -8.127 1.00 0.00 C ATOM 731 C ASN A 53 -0.032 4.962 -8.949 1.00 0.00 C ATOM 732 O ASN A 53 -0.590 3.935 -9.279 1.00 0.00 O ATOM 733 CB ASN A 53 2.395 4.459 -9.028 1.00 0.00 C ATOM 734 CG ASN A 53 1.979 3.138 -9.610 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.307 3.104 -10.618 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.311 2.054 -8.997 1.00 0.00 N ATOM 0 H ASN A 53 1.542 2.973 -7.268 1.00 0.00 H new ATOM 0 HA ASN A 53 1.438 5.916 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.585 5.186 -9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.319 4.356 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.008 1.150 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.877 2.100 -8.150 1.00 0.00 H new ATOM 743 N GLU A 54 -0.501 6.123 -9.303 1.00 0.00 N ATOM 744 CA GLU A 54 -1.749 6.206 -10.116 1.00 0.00 C ATOM 745 C GLU A 54 -1.774 5.136 -11.222 1.00 0.00 C ATOM 746 O GLU A 54 -2.822 4.790 -11.729 1.00 0.00 O ATOM 747 CB GLU A 54 -1.723 7.605 -10.731 1.00 0.00 C ATOM 748 CG GLU A 54 -0.467 7.761 -11.591 1.00 0.00 C ATOM 749 CD GLU A 54 -0.009 9.221 -11.566 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.857 10.090 -11.673 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.184 9.444 -11.440 1.00 0.00 O ATOM 0 H GLU A 54 -0.076 7.020 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.636 6.032 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.614 7.764 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.734 8.360 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.326 7.114 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.674 7.451 -12.615 1.00 0.00 H new ATOM 758 N ALA A 55 -0.636 4.619 -11.616 1.00 0.00 N ATOM 759 CA ALA A 55 -0.622 3.593 -12.701 1.00 0.00 C ATOM 760 C ALA A 55 -1.160 2.241 -12.209 1.00 0.00 C ATOM 761 O ALA A 55 -2.043 1.667 -12.814 1.00 0.00 O ATOM 762 CB ALA A 55 0.846 3.467 -13.108 1.00 0.00 C ATOM 0 H ALA A 55 0.278 4.862 -11.235 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.262 3.887 -13.533 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.941 2.729 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.209 4.432 -13.462 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.436 3.151 -12.248 1.00 0.00 H new ATOM 768 N PHE A 56 -0.631 1.714 -11.134 1.00 0.00 N ATOM 769 CA PHE A 56 -1.120 0.387 -10.642 1.00 0.00 C ATOM 770 C PHE A 56 -2.357 0.551 -9.752 1.00 0.00 C ATOM 771 O PHE A 56 -2.961 -0.420 -9.340 1.00 0.00 O ATOM 772 CB PHE A 56 0.056 -0.210 -9.857 1.00 0.00 C ATOM 773 CG PHE A 56 1.130 -0.641 -10.847 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.938 0.341 -11.448 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.313 -2.003 -11.206 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.905 -0.018 -12.390 1.00 0.00 C ATOM 777 CE2 PHE A 56 2.291 -2.345 -12.141 1.00 0.00 C ATOM 778 CZ PHE A 56 3.079 -1.357 -12.737 1.00 0.00 C ATOM 0 H PHE A 56 0.112 2.139 -10.579 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.427 -0.262 -11.462 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.457 0.525 -9.159 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.278 -1.062 -9.265 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.810 1.379 -11.179 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.699 -2.770 -10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.518 0.743 -12.850 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.440 -3.381 -12.406 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.825 -1.631 -13.468 1.00 0.00 H new ATOM 788 N THR A 57 -2.756 1.761 -9.463 1.00 0.00 N ATOM 789 CA THR A 57 -3.972 1.947 -8.614 1.00 0.00 C ATOM 790 C THR A 57 -5.230 1.779 -9.477 1.00 0.00 C ATOM 791 O THR A 57 -6.130 1.033 -9.145 1.00 0.00 O ATOM 792 CB THR A 57 -3.906 3.380 -8.076 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.302 4.284 -9.096 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.489 3.717 -7.621 1.00 0.00 C ATOM 0 H THR A 57 -2.300 2.619 -9.773 1.00 0.00 H new ATOM 0 HA THR A 57 -4.010 1.218 -7.804 1.00 0.00 H new ATOM 0 HB THR A 57 -4.577 3.466 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.570 5.136 -8.692 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.462 4.739 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.187 3.029 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.804 3.624 -8.464 1.00 0.00 H new ATOM 802 N ASP A 58 -5.295 2.479 -10.583 1.00 0.00 N ATOM 803 CA ASP A 58 -6.489 2.379 -11.478 1.00 0.00 C ATOM 804 C ASP A 58 -6.633 0.943 -12.006 1.00 0.00 C ATOM 805 O ASP A 58 -7.654 0.567 -12.547 1.00 0.00 O ATOM 806 CB ASP A 58 -6.218 3.404 -12.601 1.00 0.00 C ATOM 807 CG ASP A 58 -6.250 2.748 -13.987 1.00 0.00 C ATOM 808 OD1 ASP A 58 -7.215 2.058 -14.273 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.313 2.954 -14.739 1.00 0.00 O ATOM 0 H ASP A 58 -4.569 3.118 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.430 2.597 -10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.963 4.198 -12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.246 3.870 -12.441 1.00 0.00 H new ATOM 814 N LYS A 59 -5.627 0.137 -11.821 1.00 0.00 N ATOM 815 CA LYS A 59 -5.702 -1.283 -12.275 1.00 0.00 C ATOM 816 C LYS A 59 -6.497 -2.058 -11.263 1.00 0.00 C ATOM 817 O LYS A 59 -7.423 -2.792 -11.547 1.00 0.00 O ATOM 818 CB LYS A 59 -4.275 -1.817 -12.176 1.00 0.00 C ATOM 819 CG LYS A 59 -3.289 -0.835 -12.816 1.00 0.00 C ATOM 820 CD LYS A 59 -3.638 -0.652 -14.293 1.00 0.00 C ATOM 821 CE LYS A 59 -4.640 0.493 -14.445 1.00 0.00 C ATOM 822 NZ LYS A 59 -4.486 0.955 -15.853 1.00 0.00 N ATOM 0 H LYS A 59 -4.750 0.400 -11.372 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.137 -1.365 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.012 -1.976 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.207 -2.785 -12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.329 0.125 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.270 -1.209 -12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.736 -0.438 -14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.060 -1.573 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.658 0.155 -14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.430 1.298 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.771 1.953 -15.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.492 0.857 -16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.087 0.378 -16.475 1.00 0.00 H new ATOM 836 N VAL A 60 -6.052 -1.899 -10.074 1.00 0.00 N ATOM 837 CA VAL A 60 -6.617 -2.587 -8.915 1.00 0.00 C ATOM 838 C VAL A 60 -7.828 -1.814 -8.370 1.00 0.00 C ATOM 839 O VAL A 60 -7.853 -0.599 -8.402 1.00 0.00 O ATOM 840 CB VAL A 60 -5.399 -2.557 -7.993 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.479 -1.383 -7.031 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.269 -3.872 -7.254 1.00 0.00 C ATOM 0 H VAL A 60 -5.272 -1.282 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.016 -3.588 -9.081 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.504 -2.421 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.601 -1.382 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.515 -0.451 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.378 -1.473 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.397 -3.837 -6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.164 -4.043 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.152 -4.683 -7.973 1.00 0.00 H new ATOM 852 N PRO A 61 -8.797 -2.551 -7.897 1.00 0.00 N ATOM 853 CA PRO A 61 -10.035 -1.936 -7.349 1.00 0.00 C ATOM 854 C PRO A 61 -9.754 -1.068 -6.135 1.00 0.00 C ATOM 855 O PRO A 61 -8.709 -1.129 -5.520 1.00 0.00 O ATOM 856 CB PRO A 61 -10.906 -3.134 -6.991 1.00 0.00 C ATOM 857 CG PRO A 61 -9.940 -4.262 -6.819 1.00 0.00 C ATOM 858 CD PRO A 61 -8.839 -4.014 -7.817 1.00 0.00 C ATOM 0 HA PRO A 61 -10.512 -1.264 -8.062 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.472 -2.954 -6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.630 -3.348 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.548 -4.289 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.423 -5.222 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.888 -4.428 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.060 -4.466 -8.784 1.00 0.00 H new ATOM 866 N ALA A 62 -10.700 -0.241 -5.818 1.00 0.00 N ATOM 867 CA ALA A 62 -10.560 0.687 -4.675 1.00 0.00 C ATOM 868 C ALA A 62 -10.857 -0.013 -3.351 1.00 0.00 C ATOM 869 O ALA A 62 -10.958 -1.222 -3.273 1.00 0.00 O ATOM 870 CB ALA A 62 -11.594 1.763 -4.971 1.00 0.00 C ATOM 0 H ALA A 62 -11.587 -0.168 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.549 1.082 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.577 2.512 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.362 2.238 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.585 1.311 -5.022 1.00 0.00 H new ATOM 876 N ALA A 63 -10.988 0.753 -2.308 1.00 0.00 N ATOM 877 CA ALA A 63 -11.271 0.170 -0.964 1.00 0.00 C ATOM 878 C ALA A 63 -12.687 0.518 -0.501 1.00 0.00 C ATOM 879 O ALA A 63 -13.372 1.317 -1.107 1.00 0.00 O ATOM 880 CB ALA A 63 -10.252 0.826 -0.041 1.00 0.00 C ATOM 0 H ALA A 63 -10.911 1.770 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.202 -0.918 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.388 0.453 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.245 0.588 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.393 1.907 -0.053 1.00 0.00 H new ATOM 886 N ASN A 64 -13.126 -0.070 0.582 1.00 0.00 N ATOM 887 CA ASN A 64 -14.490 0.237 1.097 1.00 0.00 C ATOM 888 C ASN A 64 -14.415 1.221 2.269 1.00 0.00 C ATOM 889 O ASN A 64 -13.491 2.000 2.379 1.00 0.00 O ATOM 890 CB ASN A 64 -15.062 -1.104 1.558 1.00 0.00 C ATOM 891 CG ASN A 64 -14.189 -1.675 2.677 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.103 -1.191 2.923 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.622 -2.692 3.373 1.00 0.00 N ATOM 0 H ASN A 64 -12.598 -0.749 1.130 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.114 0.703 0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.085 -0.973 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.101 -1.801 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.048 -3.079 4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.534 -3.099 3.167 1.00 0.00 H new ATOM 900 N GLU A 65 -15.384 1.185 3.145 1.00 0.00 N ATOM 901 CA GLU A 65 -15.379 2.112 4.317 1.00 0.00 C ATOM 902 C GLU A 65 -14.296 1.696 5.316 1.00 0.00 C ATOM 903 O GLU A 65 -13.881 2.473 6.153 1.00 0.00 O ATOM 904 CB GLU A 65 -16.771 1.967 4.934 1.00 0.00 C ATOM 905 CG GLU A 65 -16.860 0.645 5.703 1.00 0.00 C ATOM 906 CD GLU A 65 -16.772 0.921 7.205 1.00 0.00 C ATOM 907 OE1 GLU A 65 -15.915 1.697 7.595 1.00 0.00 O ATOM 908 OE2 GLU A 65 -17.563 0.352 7.939 1.00 0.00 O ATOM 0 H GLU A 65 -16.182 0.551 3.100 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.164 3.142 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.971 2.803 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.530 1.996 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.797 0.139 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.053 -0.021 5.397 1.00 0.00 H new ATOM 915 N ARG A 66 -13.826 0.480 5.232 1.00 0.00 N ATOM 916 CA ARG A 66 -12.762 0.034 6.177 1.00 0.00 C ATOM 917 C ARG A 66 -11.500 0.850 5.933 1.00 0.00 C ATOM 918 O ARG A 66 -10.939 1.428 6.837 1.00 0.00 O ATOM 919 CB ARG A 66 -12.497 -1.433 5.837 1.00 0.00 C ATOM 920 CG ARG A 66 -12.738 -2.312 7.069 1.00 0.00 C ATOM 921 CD ARG A 66 -12.120 -1.655 8.308 1.00 0.00 C ATOM 922 NE ARG A 66 -13.273 -1.062 9.039 1.00 0.00 N ATOM 923 CZ ARG A 66 -13.096 -0.537 10.220 1.00 0.00 C ATOM 924 NH1 ARG A 66 -12.227 0.424 10.384 1.00 0.00 N ATOM 925 NH2 ARG A 66 -13.787 -0.971 11.239 1.00 0.00 N ATOM 0 H ARG A 66 -14.130 -0.219 4.555 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.058 0.161 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.149 -1.749 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.471 -1.554 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.808 -2.457 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.301 -3.298 6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.595 -2.386 8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.393 -0.892 8.030 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.201 -1.066 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.687 0.764 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.089 0.834 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.466 -1.721 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.648 -0.560 12.162 1.00 0.00 H new ATOM 939 N GLU A 67 -11.062 0.902 4.706 1.00 0.00 N ATOM 940 CA GLU A 67 -9.837 1.673 4.359 1.00 0.00 C ATOM 941 C GLU A 67 -10.026 3.172 4.628 1.00 0.00 C ATOM 942 O GLU A 67 -9.154 3.963 4.380 1.00 0.00 O ATOM 943 CB GLU A 67 -9.668 1.423 2.859 1.00 0.00 C ATOM 944 CG GLU A 67 -8.560 2.317 2.304 1.00 0.00 C ATOM 945 CD GLU A 67 -9.150 3.305 1.293 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.347 3.518 1.336 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.397 3.829 0.490 1.00 0.00 O ATOM 0 H GLU A 67 -11.509 0.435 3.917 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.973 1.368 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.425 0.375 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.605 1.626 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.076 2.859 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.793 1.707 1.826 1.00 0.00 H new ATOM 954 N ILE A 68 -11.158 3.589 5.101 1.00 0.00 N ATOM 955 CA ILE A 68 -11.346 5.044 5.338 1.00 0.00 C ATOM 956 C ILE A 68 -10.943 5.435 6.770 1.00 0.00 C ATOM 957 O ILE A 68 -10.704 6.591 7.056 1.00 0.00 O ATOM 958 CB ILE A 68 -12.839 5.266 5.071 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.058 5.468 3.567 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.344 6.494 5.824 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.221 4.454 2.779 1.00 0.00 C ATOM 0 H ILE A 68 -11.955 2.996 5.333 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.719 5.665 4.698 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.391 4.392 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.114 5.348 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.779 6.483 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.406 6.634 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.195 6.351 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.792 7.375 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.381 4.602 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.165 4.595 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.521 3.443 3.054 1.00 0.00 H new ATOM 973 N GLY A 69 -10.867 4.494 7.673 1.00 0.00 N ATOM 974 CA GLY A 69 -10.482 4.840 9.075 1.00 0.00 C ATOM 975 C GLY A 69 -8.962 4.747 9.251 1.00 0.00 C ATOM 976 O GLY A 69 -8.267 5.744 9.257 1.00 0.00 O ATOM 0 H GLY A 69 -11.053 3.506 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.821 5.848 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.977 4.164 9.772 1.00 0.00 H new ATOM 980 N MET A 70 -8.442 3.558 9.418 1.00 0.00 N ATOM 981 CA MET A 70 -6.958 3.421 9.622 1.00 0.00 C ATOM 982 C MET A 70 -6.206 4.225 8.565 1.00 0.00 C ATOM 983 O MET A 70 -5.139 4.751 8.809 1.00 0.00 O ATOM 984 CB MET A 70 -6.562 1.932 9.471 1.00 0.00 C ATOM 985 CG MET A 70 -7.716 1.044 9.005 1.00 0.00 C ATOM 986 SD MET A 70 -8.311 1.576 7.393 1.00 0.00 S ATOM 987 CE MET A 70 -7.996 0.002 6.579 1.00 0.00 C ATOM 0 H MET A 70 -8.968 2.684 9.423 1.00 0.00 H new ATOM 0 HA MET A 70 -6.703 3.790 10.615 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.741 1.852 8.759 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.192 1.563 10.427 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.386 0.007 8.953 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.529 1.084 9.730 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.319 0.156 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.542 -0.690 7.288 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.936 -0.414 6.216 1.00 0.00 H new ATOM 997 N LEU A 71 -6.756 4.331 7.397 1.00 0.00 N ATOM 998 CA LEU A 71 -6.082 5.096 6.326 1.00 0.00 C ATOM 999 C LEU A 71 -6.094 6.579 6.698 1.00 0.00 C ATOM 1000 O LEU A 71 -5.194 7.327 6.367 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.949 4.800 5.109 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.226 5.135 3.801 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.265 5.447 2.728 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.335 6.359 3.972 1.00 0.00 C ATOM 0 H LEU A 71 -7.651 3.917 7.136 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.038 4.835 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.229 3.747 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.872 5.376 5.172 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.611 4.281 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.761 5.687 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.908 4.579 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.869 6.298 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.832 6.577 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.944 7.214 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.591 6.162 4.744 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.103 6.998 7.411 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.185 8.422 7.836 1.00 0.00 C ATOM 1018 C GLU A 72 -6.386 8.622 9.132 1.00 0.00 C ATOM 1019 O GLU A 72 -5.866 9.688 9.392 1.00 0.00 O ATOM 1020 CB GLU A 72 -8.692 8.674 8.044 1.00 0.00 C ATOM 1021 CG GLU A 72 -8.953 9.411 9.366 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.232 10.241 9.244 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.209 11.225 8.523 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.211 9.879 9.875 1.00 0.00 O ATOM 0 H GLU A 72 -7.878 6.411 7.719 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.764 9.117 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.084 9.261 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.226 7.724 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.049 8.694 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.109 10.057 9.607 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.290 7.608 9.948 1.00 0.00 N ATOM 1032 CA CYS A 73 -5.530 7.756 11.222 1.00 0.00 C ATOM 1033 C CYS A 73 -4.165 8.378 10.932 1.00 0.00 C ATOM 1034 O CYS A 73 -3.723 9.280 11.616 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.373 6.336 11.764 1.00 0.00 C ATOM 1036 SG CYS A 73 -6.342 6.160 13.283 1.00 0.00 S ATOM 0 H CYS A 73 -6.702 6.689 9.789 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.036 8.402 11.939 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.707 5.612 11.021 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.322 6.125 11.964 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.211 4.951 13.744 1.00 0.00 H new ATOM 1042 N VAL A 74 -3.504 7.915 9.909 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.178 8.496 9.561 1.00 0.00 C ATOM 1044 C VAL A 74 -2.369 9.657 8.584 1.00 0.00 C ATOM 1045 O VAL A 74 -2.049 9.563 7.416 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.381 7.361 8.913 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -0.997 6.336 9.981 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -2.227 6.679 7.835 1.00 0.00 C ATOM 0 H VAL A 74 -3.823 7.161 9.300 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.657 8.889 10.434 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.480 7.771 8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.429 5.527 9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.388 6.818 10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.900 5.931 10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.653 5.873 7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.131 6.271 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.500 7.408 7.072 1.00 0.00 H new ATOM 1058 N THR A 75 -2.904 10.749 9.059 1.00 0.00 N ATOM 1059 CA THR A 75 -3.142 11.927 8.175 1.00 0.00 C ATOM 1060 C THR A 75 -1.891 12.266 7.359 1.00 0.00 C ATOM 1061 O THR A 75 -1.086 13.091 7.744 1.00 0.00 O ATOM 1062 CB THR A 75 -3.458 13.068 9.141 1.00 0.00 C ATOM 1063 OG1 THR A 75 -3.787 14.236 8.401 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.233 13.343 10.018 1.00 0.00 C ATOM 0 H THR A 75 -3.189 10.877 10.030 1.00 0.00 H new ATOM 0 HA THR A 75 -3.941 11.742 7.457 1.00 0.00 H new ATOM 0 HB THR A 75 -4.302 12.791 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.991 14.968 9.019 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.455 14.157 10.708 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.982 12.446 10.583 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.389 13.623 9.387 1.00 0.00 H new ATOM 1072 N ALA A 76 -1.728 11.648 6.225 1.00 0.00 N ATOM 1073 CA ALA A 76 -0.541 11.947 5.377 1.00 0.00 C ATOM 1074 C ALA A 76 -1.002 12.513 4.034 1.00 0.00 C ATOM 1075 O ALA A 76 -0.845 11.888 3.009 1.00 0.00 O ATOM 1076 CB ALA A 76 0.158 10.601 5.184 1.00 0.00 C ATOM 0 H ALA A 76 -2.366 10.947 5.847 1.00 0.00 H new ATOM 0 HA ALA A 76 0.124 12.684 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.046 10.737 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.449 10.199 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.522 9.905 4.692 1.00 0.00 H new ATOM 1082 N GLU A 77 -1.585 13.684 4.039 1.00 0.00 N ATOM 1083 CA GLU A 77 -2.084 14.290 2.766 1.00 0.00 C ATOM 1084 C GLU A 77 -2.719 13.210 1.895 1.00 0.00 C ATOM 1085 O GLU A 77 -2.438 13.088 0.720 1.00 0.00 O ATOM 1086 CB GLU A 77 -0.863 14.931 2.089 1.00 0.00 C ATOM 1087 CG GLU A 77 0.081 13.857 1.533 1.00 0.00 C ATOM 1088 CD GLU A 77 1.159 13.537 2.569 1.00 0.00 C ATOM 1089 OE1 GLU A 77 1.558 14.446 3.279 1.00 0.00 O ATOM 1090 OE2 GLU A 77 1.568 12.390 2.634 1.00 0.00 O ATOM 0 H GLU A 77 -1.738 14.250 4.874 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.854 15.042 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.192 15.585 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.329 15.554 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.481 12.956 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.542 14.206 0.609 1.00 0.00 H new ATOM 1097 N LEU A 78 -3.583 12.439 2.497 1.00 0.00 N ATOM 1098 CA LEU A 78 -4.298 11.340 1.786 1.00 0.00 C ATOM 1099 C LEU A 78 -4.367 11.572 0.277 1.00 0.00 C ATOM 1100 O LEU A 78 -4.545 12.680 -0.189 1.00 0.00 O ATOM 1101 CB LEU A 78 -5.691 11.377 2.386 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.080 9.969 2.832 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.019 9.424 3.790 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -7.428 10.020 3.544 1.00 0.00 C ATOM 0 H LEU A 78 -3.830 12.528 3.483 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.791 10.383 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.717 12.061 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.406 11.751 1.653 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.150 9.318 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.297 8.419 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.054 9.390 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.948 10.074 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.709 9.016 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.355 10.671 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.185 10.409 2.863 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.235 10.526 -0.487 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.297 10.663 -1.970 1.00 0.00 C ATOM 1118 C LYS A 79 -5.528 9.915 -2.488 1.00 0.00 C ATOM 1119 O LYS A 79 -6.158 9.184 -1.749 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.016 10.004 -2.511 1.00 0.00 C ATOM 1121 CG LYS A 79 -1.833 10.237 -1.562 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.741 11.003 -2.297 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.766 12.457 -1.839 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.056 13.193 -2.840 1.00 0.00 N ATOM 0 H LYS A 79 -4.086 9.576 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.369 11.704 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.179 8.934 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.782 10.410 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.160 10.797 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.446 9.283 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.234 10.560 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.898 10.944 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.785 12.842 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.353 12.562 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.085 14.202 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.023 12.810 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.365 13.082 -3.784 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.825 10.103 -3.743 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.985 9.411 -4.351 1.00 0.00 C ATOM 1140 C PRO A 80 -6.689 7.915 -4.455 1.00 0.00 C ATOM 1141 O PRO A 80 -7.575 7.086 -4.404 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.102 10.048 -5.732 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.735 10.571 -6.030 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.125 10.958 -4.709 1.00 0.00 C ATOM 0 HA PRO A 80 -7.906 9.507 -3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.418 9.319 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.841 10.849 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.131 9.813 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.786 11.430 -6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.050 10.780 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.276 12.015 -4.492 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.440 7.573 -4.597 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.058 6.137 -4.702 1.00 0.00 C ATOM 1154 C ASN A 81 -4.548 5.616 -3.352 1.00 0.00 C ATOM 1155 O ASN A 81 -4.315 4.435 -3.182 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.943 6.101 -5.744 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.841 7.090 -5.351 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.047 7.948 -4.518 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.671 7.001 -5.922 1.00 0.00 N ATOM 0 H ASN A 81 -4.662 8.231 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.903 5.508 -4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.533 5.094 -5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.341 6.356 -6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.929 7.653 -5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.499 6.279 -6.622 1.00 0.00 H new ATOM 1166 N SER A 82 -4.367 6.484 -2.393 1.00 0.00 N ATOM 1167 CA SER A 82 -3.866 6.035 -1.059 1.00 0.00 C ATOM 1168 C SER A 82 -4.659 4.837 -0.547 1.00 0.00 C ATOM 1169 O SER A 82 -5.810 4.647 -0.884 1.00 0.00 O ATOM 1170 CB SER A 82 -4.118 7.228 -0.150 1.00 0.00 C ATOM 1171 OG SER A 82 -3.341 8.322 -0.603 1.00 0.00 O ATOM 0 H SER A 82 -4.544 7.485 -2.475 1.00 0.00 H new ATOM 0 HA SER A 82 -2.821 5.728 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.176 7.489 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.856 6.980 0.879 1.00 0.00 H new ATOM 0 HG SER A 82 -2.740 8.615 0.113 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.051 4.033 0.280 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.772 2.854 0.825 1.00 0.00 C ATOM 1179 C ARG A 83 -3.913 2.117 1.855 1.00 0.00 C ATOM 1180 O ARG A 83 -2.709 2.264 1.900 1.00 0.00 O ATOM 1181 CB ARG A 83 -5.036 1.959 -0.385 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.541 1.780 -0.569 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.970 2.393 -1.901 1.00 0.00 C ATOM 1184 NE ARG A 83 -7.041 1.241 -2.838 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.323 1.442 -4.097 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -7.906 2.548 -4.466 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.022 0.535 -4.985 1.00 0.00 N ATOM 0 H ARG A 83 -3.089 4.142 0.600 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.691 3.142 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.600 2.402 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.558 0.989 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.797 0.721 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.077 2.256 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.934 2.894 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.253 3.139 -2.243 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.870 0.295 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.142 3.257 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.126 2.705 -5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.567 -0.331 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.242 0.691 -5.969 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.533 1.308 2.666 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.774 0.531 3.688 1.00 0.00 C ATOM 1203 C LEU A 84 -3.098 -0.670 3.029 1.00 0.00 C ATOM 1204 O LEU A 84 -3.688 -1.331 2.197 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.833 0.034 4.685 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.478 0.470 6.108 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.336 -0.326 7.079 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.019 0.148 6.405 1.00 0.00 C ATOM 0 H LEU A 84 -5.541 1.149 2.666 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.001 1.133 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.812 0.428 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.903 -1.053 4.638 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.648 1.542 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.099 -0.030 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.389 -0.129 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.136 -1.390 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.776 0.462 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.856 -0.926 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.379 0.677 5.699 1.00 0.00 H new ATOM 1220 N SER A 85 -1.879 -0.987 3.416 1.00 0.00 N ATOM 1221 CA SER A 85 -1.203 -2.181 2.829 1.00 0.00 C ATOM 1222 C SER A 85 -2.231 -3.313 2.749 1.00 0.00 C ATOM 1223 O SER A 85 -2.169 -4.191 1.913 1.00 0.00 O ATOM 1224 CB SER A 85 -0.102 -2.556 3.813 1.00 0.00 C ATOM 1225 OG SER A 85 0.775 -1.454 3.991 1.00 0.00 O ATOM 0 H SER A 85 -1.333 -0.472 4.107 1.00 0.00 H new ATOM 0 HA SER A 85 -0.798 -1.994 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.538 -2.844 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.452 -3.418 3.442 1.00 0.00 H new ATOM 0 HG SER A 85 1.703 -1.768 3.968 1.00 0.00 H new ATOM 1231 N CYS A 86 -3.171 -3.267 3.657 1.00 0.00 N ATOM 1232 CA CYS A 86 -4.251 -4.307 3.738 1.00 0.00 C ATOM 1233 C CYS A 86 -5.491 -3.896 2.941 1.00 0.00 C ATOM 1234 O CYS A 86 -6.603 -4.178 3.341 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.641 -4.444 5.236 1.00 0.00 C ATOM 1236 SG CYS A 86 -4.282 -2.939 6.202 1.00 0.00 S ATOM 0 H CYS A 86 -3.240 -2.536 4.365 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.884 -5.244 3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.704 -4.673 5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.103 -5.286 5.671 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.032 -2.941 6.561 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.337 -3.236 1.829 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.553 -2.838 1.064 1.00 0.00 C ATOM 1243 C GLN A 87 -6.501 -3.297 -0.387 1.00 0.00 C ATOM 1244 O GLN A 87 -7.487 -3.735 -0.945 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.604 -1.316 1.134 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.985 -0.852 0.673 1.00 0.00 C ATOM 1247 CD GLN A 87 -9.059 -1.580 1.484 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -10.162 -1.778 1.014 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.778 -1.992 2.689 1.00 0.00 N ATOM 0 H GLN A 87 -4.444 -2.959 1.422 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.440 -3.305 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.412 -0.978 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.829 -0.882 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.082 0.226 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.114 -1.057 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.852 -1.825 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.485 -2.481 3.238 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.378 -3.170 -1.011 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.290 -3.569 -2.445 1.00 0.00 C ATOM 1260 C ILE A 88 -4.784 -4.996 -2.599 1.00 0.00 C ATOM 1261 O ILE A 88 -4.070 -5.521 -1.768 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.299 -2.611 -3.107 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -4.339 -1.232 -2.440 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.664 -2.464 -4.580 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.500 -0.245 -3.259 1.00 0.00 C ATOM 0 H ILE A 88 -4.516 -2.810 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.278 -3.522 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.294 -3.018 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.368 -0.880 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.954 -1.297 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.963 -1.782 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.615 -3.438 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.675 -2.066 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.528 0.736 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.469 -0.596 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.906 -0.173 -4.268 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.139 -5.607 -3.687 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.684 -6.988 -3.969 1.00 0.00 C ATOM 1279 C ILE A 89 -3.701 -6.956 -5.138 1.00 0.00 C ATOM 1280 O ILE A 89 -3.658 -6.007 -5.896 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.953 -7.753 -4.346 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.767 -8.065 -3.085 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.570 -9.055 -5.042 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.846 -8.626 -2.000 1.00 0.00 C ATOM 0 H ILE A 89 -5.737 -5.199 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.176 -7.454 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.556 -7.142 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.259 -7.161 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.552 -8.785 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.473 -9.603 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.998 -8.832 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.965 -9.663 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.429 -8.846 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.375 -9.540 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.077 -7.892 -1.760 1.00 0.00 H new ATOM 1296 N MET A 90 -2.911 -7.975 -5.296 1.00 0.00 N ATOM 1297 CA MET A 90 -1.938 -7.985 -6.419 1.00 0.00 C ATOM 1298 C MET A 90 -2.351 -9.023 -7.462 1.00 0.00 C ATOM 1299 O MET A 90 -2.341 -10.210 -7.208 1.00 0.00 O ATOM 1300 CB MET A 90 -0.604 -8.358 -5.777 1.00 0.00 C ATOM 1301 CG MET A 90 0.530 -7.618 -6.485 1.00 0.00 C ATOM 1302 SD MET A 90 0.271 -5.832 -6.356 1.00 0.00 S ATOM 1303 CE MET A 90 0.461 -5.457 -8.117 1.00 0.00 C ATOM 0 H MET A 90 -2.896 -8.801 -4.698 1.00 0.00 H new ATOM 0 HA MET A 90 -1.884 -7.027 -6.935 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.614 -8.101 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.446 -9.434 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.487 -7.889 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.571 -7.914 -7.533 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.115 -4.442 -8.312 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.511 -5.542 -8.396 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.129 -6.161 -8.705 1.00 0.00 H new ATOM 1313 N THR A 91 -2.718 -8.584 -8.632 1.00 0.00 N ATOM 1314 CA THR A 91 -3.133 -9.546 -9.692 1.00 0.00 C ATOM 1315 C THR A 91 -1.932 -9.911 -10.568 1.00 0.00 C ATOM 1316 O THR A 91 -0.907 -9.262 -10.516 1.00 0.00 O ATOM 1317 CB THR A 91 -4.190 -8.798 -10.506 1.00 0.00 C ATOM 1318 OG1 THR A 91 -3.989 -7.400 -10.362 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.582 -9.170 -9.996 1.00 0.00 C ATOM 0 H THR A 91 -2.749 -7.601 -8.901 1.00 0.00 H new ATOM 0 HA THR A 91 -3.520 -10.479 -9.283 1.00 0.00 H new ATOM 0 HB THR A 91 -4.105 -9.072 -11.558 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.454 -7.084 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.336 -8.637 -10.575 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.734 -10.244 -10.103 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.670 -8.894 -8.945 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.100 -10.947 -11.343 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.013 -11.409 -12.238 1.00 0.00 C ATOM 1329 C PRO A 92 -0.843 -10.447 -13.418 1.00 0.00 C ATOM 1330 O PRO A 92 0.221 -10.341 -13.994 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.493 -12.780 -12.707 1.00 0.00 C ATOM 1332 CG PRO A 92 -2.983 -12.740 -12.571 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.305 -11.773 -11.459 1.00 0.00 C ATOM 0 HA PRO A 92 -0.041 -11.452 -11.747 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.196 -12.970 -13.739 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.063 -13.577 -12.100 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.446 -12.420 -13.505 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.375 -13.731 -12.344 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.181 -11.169 -11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.522 -12.295 -10.527 1.00 0.00 H new ATOM 1341 N GLU A 93 -1.879 -9.738 -13.775 1.00 0.00 N ATOM 1342 CA GLU A 93 -1.766 -8.779 -14.912 1.00 0.00 C ATOM 1343 C GLU A 93 -1.363 -7.398 -14.388 1.00 0.00 C ATOM 1344 O GLU A 93 -0.754 -6.611 -15.085 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.160 -8.735 -15.544 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.208 -8.448 -14.466 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.139 -9.654 -14.325 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -4.692 -10.664 -13.806 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.281 -9.547 -14.739 1.00 0.00 O ATOM 0 H GLU A 93 -2.796 -9.780 -13.331 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.009 -9.080 -15.636 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.196 -7.964 -16.314 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.378 -9.685 -16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.719 -8.240 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.783 -7.560 -14.730 1.00 0.00 H new ATOM 1356 N LEU A 94 -1.694 -7.102 -13.160 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.329 -5.777 -12.578 1.00 0.00 C ATOM 1358 C LEU A 94 -0.028 -5.904 -11.814 1.00 0.00 C ATOM 1359 O LEU A 94 0.080 -5.541 -10.660 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.468 -5.442 -11.636 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.803 -5.675 -12.345 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.902 -4.914 -11.606 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.714 -5.177 -13.796 1.00 0.00 C ATOM 0 H LEU A 94 -2.204 -7.723 -12.532 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.188 -5.005 -13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.407 -6.061 -10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.393 -4.404 -11.312 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.034 -6.740 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.857 -5.076 -12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.965 -5.273 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.669 -3.849 -11.604 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.667 -5.345 -14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.484 -4.112 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.928 -5.721 -14.320 1.00 0.00 H new ATOM 1375 N ASP A 95 0.947 -6.457 -12.449 1.00 0.00 N ATOM 1376 CA ASP A 95 2.247 -6.668 -11.775 1.00 0.00 C ATOM 1377 C ASP A 95 3.274 -5.608 -12.159 1.00 0.00 C ATOM 1378 O ASP A 95 3.229 -5.034 -13.229 1.00 0.00 O ATOM 1379 CB ASP A 95 2.691 -8.041 -12.262 1.00 0.00 C ATOM 1380 CG ASP A 95 2.710 -8.058 -13.792 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.672 -8.323 -14.374 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.763 -7.806 -14.353 1.00 0.00 O ATOM 0 H ASP A 95 0.903 -6.777 -13.417 1.00 0.00 H new ATOM 0 HA ASP A 95 2.156 -6.601 -10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.682 -8.274 -11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.013 -8.808 -11.888 1.00 0.00 H new ATOM 1387 N GLY A 96 4.203 -5.350 -11.275 1.00 0.00 N ATOM 1388 CA GLY A 96 5.236 -4.321 -11.556 1.00 0.00 C ATOM 1389 C GLY A 96 4.785 -3.036 -10.894 1.00 0.00 C ATOM 1390 O GLY A 96 5.074 -1.950 -11.353 1.00 0.00 O ATOM 0 H GLY A 96 4.287 -5.812 -10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.205 -4.634 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.354 -4.179 -12.630 1.00 0.00 H new ATOM 1394 N ILE A 97 4.036 -3.155 -9.841 1.00 0.00 N ATOM 1395 CA ILE A 97 3.501 -1.940 -9.189 1.00 0.00 C ATOM 1396 C ILE A 97 4.542 -1.167 -8.401 1.00 0.00 C ATOM 1397 O ILE A 97 5.541 -1.679 -7.935 1.00 0.00 O ATOM 1398 CB ILE A 97 2.371 -2.411 -8.277 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.791 -1.202 -7.544 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.904 -3.409 -7.253 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.371 -1.520 -7.083 1.00 0.00 C ATOM 0 H ILE A 97 3.772 -4.039 -9.406 1.00 0.00 H new ATOM 0 HA ILE A 97 3.155 -1.241 -9.950 1.00 0.00 H new ATOM 0 HB ILE A 97 1.601 -2.895 -8.877 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.415 -0.949 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.785 -0.333 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.090 -3.738 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.328 -4.270 -7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.676 -2.933 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.043 -0.658 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.249 -1.752 -7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.390 -2.378 -6.410 1.00 0.00 H new ATOM 1413 N VAL A 98 4.261 0.088 -8.268 1.00 0.00 N ATOM 1414 CA VAL A 98 5.141 1.026 -7.529 1.00 0.00 C ATOM 1415 C VAL A 98 4.361 1.649 -6.376 1.00 0.00 C ATOM 1416 O VAL A 98 3.722 2.670 -6.539 1.00 0.00 O ATOM 1417 CB VAL A 98 5.480 2.113 -8.546 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.647 2.956 -8.025 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.871 1.469 -9.879 1.00 0.00 C ATOM 0 H VAL A 98 3.424 0.522 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 98 6.025 0.537 -7.120 1.00 0.00 H new ATOM 0 HB VAL A 98 4.609 2.751 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.888 3.732 -8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.367 3.419 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.517 2.318 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.112 2.248 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.740 0.828 -9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.039 0.872 -10.253 1.00 0.00 H new ATOM 1429 N VAL A 99 4.399 1.070 -5.213 1.00 0.00 N ATOM 1430 CA VAL A 99 3.641 1.686 -4.089 1.00 0.00 C ATOM 1431 C VAL A 99 4.603 2.383 -3.147 1.00 0.00 C ATOM 1432 O VAL A 99 5.800 2.304 -3.294 1.00 0.00 O ATOM 1433 CB VAL A 99 2.838 0.562 -3.405 1.00 0.00 C ATOM 1434 CG1 VAL A 99 3.563 -0.749 -3.524 1.00 0.00 C ATOM 1435 CG2 VAL A 99 2.655 0.825 -1.923 1.00 0.00 C ATOM 0 H VAL A 99 4.910 0.215 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 99 2.945 2.450 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 99 1.869 0.529 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.982 -1.532 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.694 -0.998 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.539 -0.670 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.084 0.011 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.631 0.890 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.118 1.763 -1.784 1.00 0.00 H new ATOM 1445 N ASP A 100 4.074 3.110 -2.217 1.00 0.00 N ATOM 1446 CA ASP A 100 4.946 3.882 -1.287 1.00 0.00 C ATOM 1447 C ASP A 100 4.358 3.965 0.110 1.00 0.00 C ATOM 1448 O ASP A 100 3.234 3.583 0.365 1.00 0.00 O ATOM 1449 CB ASP A 100 5.021 5.298 -1.880 1.00 0.00 C ATOM 1450 CG ASP A 100 5.123 5.249 -3.408 1.00 0.00 C ATOM 1451 OD1 ASP A 100 4.212 4.731 -4.030 1.00 0.00 O ATOM 1452 OD2 ASP A 100 6.103 5.752 -3.932 1.00 0.00 O ATOM 0 H ASP A 100 3.072 3.208 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 100 5.919 3.400 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.137 5.865 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.885 5.822 -1.471 1.00 0.00 H new ATOM 1457 N VAL A 101 5.130 4.496 1.008 1.00 0.00 N ATOM 1458 CA VAL A 101 4.660 4.660 2.411 1.00 0.00 C ATOM 1459 C VAL A 101 4.345 6.137 2.663 1.00 0.00 C ATOM 1460 O VAL A 101 5.232 6.969 2.666 1.00 0.00 O ATOM 1461 CB VAL A 101 5.827 4.197 3.283 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.359 4.059 4.733 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.332 2.843 2.781 1.00 0.00 C ATOM 0 H VAL A 101 6.078 4.828 0.831 1.00 0.00 H new ATOM 0 HA VAL A 101 3.756 4.089 2.626 1.00 0.00 H new ATOM 0 HB VAL A 101 6.632 4.930 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.192 3.729 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.998 5.023 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.553 3.327 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.164 2.512 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.526 2.111 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.666 2.940 1.748 1.00 0.00 H new ATOM 1473 N PRO A 102 3.085 6.417 2.843 1.00 0.00 N ATOM 1474 CA PRO A 102 2.636 7.814 3.072 1.00 0.00 C ATOM 1475 C PRO A 102 3.067 8.330 4.446 1.00 0.00 C ATOM 1476 O PRO A 102 2.775 9.451 4.808 1.00 0.00 O ATOM 1477 CB PRO A 102 1.118 7.714 3.010 1.00 0.00 C ATOM 1478 CG PRO A 102 0.810 6.295 3.356 1.00 0.00 C ATOM 1479 CD PRO A 102 1.965 5.471 2.855 1.00 0.00 C ATOM 0 HA PRO A 102 3.063 8.505 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.648 8.402 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.746 7.968 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.687 6.176 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.123 5.977 2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.165 4.622 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.769 5.069 1.861 1.00 0.00 H new