USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 836 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 45 ASN : amide:sc= -0.0589 K(o=-1,f=-1.6) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.513 K(o=-1,f=-10!) USER MOD Set 1.3: A 94 HIS : no HE2:sc= -0.443 K(o=-1,f=-2.7) USER MOD Set 2.1: A 33 SER OG : rot -172:sc= -2.62! USER MOD Set 2.2: A 76 ASN : amide:sc= -2.01 K(o=-4.6,f=-5.9) USER MOD Set 3.1: A 40 THR OG1 : rot 82:sc= 1.14 USER MOD Set 3.2: A 51 TYR OH : rot -120:sc= 0.854 USER MOD Set 3.3: A 71 HIS : no HE2:sc= 0.138 K(o=2.1,f=0.92) USER MOD Set 4.1: A 55 TYR OH : rot 89:sc= 0.269 USER MOD Set 4.2: A 64 GLN : amide:sc= 0.255 K(o=0.52,f=0) USER MOD Set 5.1: A 54 TYR OH : rot 180:sc= 0.886 USER MOD Set 5.2: A 91 TYR OH : rot 16:sc= 1.02 USER MOD Set 6.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.3!) USER MOD Single : A 27 TYR OH : rot 178:sc= -1.17 USER MOD Single : A 30 SER OG : rot 33:sc= 0.445 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 16:sc= 0.182 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.069 K(o=-0.069,f=-0.6) USER MOD Single : A 50 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= 0.0531 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 97:sc= 0.174 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 118:sc= 0.1 USER MOD Single : A 72 SER OG : rot 13:sc= 0.813 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc=-0.00289 USER MOD Single : A 84 TYR OH : rot 60:sc= 0.451 USER MOD Single : A 85 SER OG : rot 52:sc= -0.337 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -140:sc= 0 USER MOD Single : A 100 THR OG1 : rot -80:sc= 1.19 USER MOD Single : A 107 THR OG1 : rot 173:sc= 1.29 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.410 -2.636 13.385 1.00 0.00 N ATOM 2 CA GLY A 1 6.152 -2.635 12.137 1.00 0.00 C ATOM 3 C GLY A 1 7.341 -3.574 12.169 1.00 0.00 C ATOM 4 O GLY A 1 8.470 -3.149 12.414 1.00 0.00 O ATOM 0 H1 GLY A 1 4.607 -1.979 13.312 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.056 -3.595 13.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.035 -2.335 14.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.487 -2.923 11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.497 -1.623 11.924 1.00 0.00 H new ATOM 8 N SER A 2 7.088 -4.855 11.922 1.00 0.00 N ATOM 9 CA SER A 2 8.146 -5.859 11.930 1.00 0.00 C ATOM 10 C SER A 2 8.651 -6.125 10.515 1.00 0.00 C ATOM 11 O SER A 2 8.069 -6.919 9.775 1.00 0.00 O ATOM 12 CB SER A 2 7.641 -7.159 12.557 1.00 0.00 C ATOM 13 OG SER A 2 7.538 -7.040 13.965 1.00 0.00 O ATOM 0 H SER A 2 6.160 -5.223 11.714 1.00 0.00 H new ATOM 0 HA SER A 2 8.973 -5.475 12.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.667 -7.414 12.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.319 -7.975 12.307 1.00 0.00 H new ATOM 0 HG SER A 2 7.211 -7.884 14.342 1.00 0.00 H new ATOM 19 N SER A 3 9.739 -5.456 10.145 1.00 0.00 N ATOM 20 CA SER A 3 10.321 -5.617 8.818 1.00 0.00 C ATOM 21 C SER A 3 11.411 -6.685 8.829 1.00 0.00 C ATOM 22 O SER A 3 12.128 -6.846 9.816 1.00 0.00 O ATOM 23 CB SER A 3 10.898 -4.288 8.327 1.00 0.00 C ATOM 24 OG SER A 3 11.227 -4.354 6.950 1.00 0.00 O ATOM 0 H SER A 3 10.235 -4.798 10.746 1.00 0.00 H new ATOM 0 HA SER A 3 9.531 -5.936 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.175 -3.490 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.787 -4.038 8.905 1.00 0.00 H new ATOM 0 HG SER A 3 11.592 -3.492 6.659 1.00 0.00 H new ATOM 30 N GLY A 4 11.530 -7.412 7.722 1.00 0.00 N ATOM 31 CA GLY A 4 12.535 -8.455 7.625 1.00 0.00 C ATOM 32 C GLY A 4 12.328 -9.347 6.417 1.00 0.00 C ATOM 33 O GLY A 4 13.288 -9.730 5.748 1.00 0.00 O ATOM 0 H GLY A 4 10.949 -7.298 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.524 -7.999 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.513 -9.062 8.530 1.00 0.00 H new ATOM 37 N SER A 5 11.072 -9.681 6.137 1.00 0.00 N ATOM 38 CA SER A 5 10.743 -10.538 5.005 1.00 0.00 C ATOM 39 C SER A 5 11.683 -10.275 3.832 1.00 0.00 C ATOM 40 O SER A 5 11.618 -9.224 3.194 1.00 0.00 O ATOM 41 CB SER A 5 9.293 -10.312 4.571 1.00 0.00 C ATOM 42 OG SER A 5 8.796 -11.428 3.852 1.00 0.00 O ATOM 0 H SER A 5 10.266 -9.371 6.679 1.00 0.00 H new ATOM 0 HA SER A 5 10.864 -11.575 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.671 -10.134 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.231 -9.418 3.950 1.00 0.00 H new ATOM 0 HG SER A 5 7.868 -11.260 3.587 1.00 0.00 H new ATOM 48 N SER A 6 12.557 -11.237 3.555 1.00 0.00 N ATOM 49 CA SER A 6 13.514 -11.109 2.463 1.00 0.00 C ATOM 50 C SER A 6 13.327 -12.228 1.443 1.00 0.00 C ATOM 51 O SER A 6 12.536 -13.147 1.650 1.00 0.00 O ATOM 52 CB SER A 6 14.945 -11.131 3.004 1.00 0.00 C ATOM 53 OG SER A 6 15.366 -12.456 3.280 1.00 0.00 O ATOM 0 H SER A 6 12.622 -12.114 4.072 1.00 0.00 H new ATOM 0 HA SER A 6 13.336 -10.155 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.619 -10.676 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.003 -10.531 3.912 1.00 0.00 H new ATOM 0 HG SER A 6 16.284 -12.443 3.623 1.00 0.00 H new ATOM 59 N GLY A 7 14.063 -12.143 0.338 1.00 0.00 N ATOM 60 CA GLY A 7 13.965 -13.153 -0.698 1.00 0.00 C ATOM 61 C GLY A 7 15.289 -13.841 -0.966 1.00 0.00 C ATOM 62 O GLY A 7 16.338 -13.198 -0.980 1.00 0.00 O ATOM 0 H GLY A 7 14.725 -11.392 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.225 -13.898 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.606 -12.691 -1.618 1.00 0.00 H new ATOM 66 N ARG A 8 15.241 -15.153 -1.176 1.00 0.00 N ATOM 67 CA ARG A 8 16.446 -15.928 -1.441 1.00 0.00 C ATOM 68 C ARG A 8 16.748 -15.971 -2.936 1.00 0.00 C ATOM 69 O ARG A 8 16.515 -16.982 -3.598 1.00 0.00 O ATOM 70 CB ARG A 8 16.292 -17.351 -0.900 1.00 0.00 C ATOM 71 CG ARG A 8 17.600 -18.123 -0.835 1.00 0.00 C ATOM 72 CD ARG A 8 17.371 -19.619 -0.984 1.00 0.00 C ATOM 73 NE ARG A 8 18.457 -20.400 -0.398 1.00 0.00 N ATOM 74 CZ ARG A 8 18.684 -20.478 0.909 1.00 0.00 C ATOM 75 NH1 ARG A 8 17.904 -19.827 1.761 1.00 0.00 N ATOM 76 NH2 ARG A 8 19.693 -21.209 1.366 1.00 0.00 N ATOM 0 H ARG A 8 14.380 -15.701 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 8 17.279 -15.441 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.857 -17.306 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.589 -17.896 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.268 -17.776 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.096 -17.922 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.430 -19.891 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.275 -19.868 -2.041 1.00 0.00 H new ATOM 0 HE ARG A 8 19.075 -20.914 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.127 -19.264 1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.081 -19.889 2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.295 -21.712 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.866 -21.268 2.369 1.00 0.00 H new ATOM 90 N VAL A 9 17.267 -14.866 -3.461 1.00 0.00 N ATOM 91 CA VAL A 9 17.601 -14.777 -4.878 1.00 0.00 C ATOM 92 C VAL A 9 19.024 -14.265 -5.076 1.00 0.00 C ATOM 93 O VAL A 9 19.359 -13.158 -4.656 1.00 0.00 O ATOM 94 CB VAL A 9 16.625 -13.850 -5.627 1.00 0.00 C ATOM 95 CG1 VAL A 9 15.227 -14.449 -5.644 1.00 0.00 C ATOM 96 CG2 VAL A 9 16.614 -12.466 -4.997 1.00 0.00 C ATOM 0 H VAL A 9 17.465 -14.020 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 9 17.520 -15.784 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 9 16.964 -13.751 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 9 14.551 -13.780 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.252 -15.416 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.875 -14.580 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.919 -11.825 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.300 -12.543 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.615 -12.037 -5.044 1.00 0.00 H new ATOM 106 N GLU A 10 19.855 -15.079 -5.718 1.00 0.00 N ATOM 107 CA GLU A 10 21.242 -14.709 -5.972 1.00 0.00 C ATOM 108 C GLU A 10 21.357 -13.858 -7.233 1.00 0.00 C ATOM 109 O GLU A 10 22.307 -13.993 -8.004 1.00 0.00 O ATOM 110 CB GLU A 10 22.112 -15.960 -6.107 1.00 0.00 C ATOM 111 CG GLU A 10 23.603 -15.674 -6.060 1.00 0.00 C ATOM 112 CD GLU A 10 24.425 -16.740 -6.759 1.00 0.00 C ATOM 113 OE1 GLU A 10 24.807 -17.725 -6.093 1.00 0.00 O ATOM 114 OE2 GLU A 10 24.686 -16.588 -7.971 1.00 0.00 O ATOM 0 H GLU A 10 19.592 -15.999 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 10 21.594 -14.121 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.859 -16.656 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.876 -16.457 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.798 -14.707 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.922 -15.598 -5.020 1.00 0.00 H new ATOM 121 N THR A 11 20.379 -12.980 -7.438 1.00 0.00 N ATOM 122 CA THR A 11 20.368 -12.108 -8.606 1.00 0.00 C ATOM 123 C THR A 11 19.800 -10.736 -8.262 1.00 0.00 C ATOM 124 O THR A 11 19.414 -10.482 -7.121 1.00 0.00 O ATOM 125 CB THR A 11 19.544 -12.719 -9.755 1.00 0.00 C ATOM 126 OG1 THR A 11 18.172 -12.842 -9.363 1.00 0.00 O ATOM 127 CG2 THR A 11 20.090 -14.084 -10.146 1.00 0.00 C ATOM 0 H THR A 11 19.585 -12.854 -6.810 1.00 0.00 H new ATOM 0 HA THR A 11 21.403 -11.999 -8.929 1.00 0.00 H new ATOM 0 HB THR A 11 19.616 -12.056 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.655 -13.230 -10.100 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.492 -14.496 -10.959 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.125 -13.982 -10.472 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.045 -14.754 -9.287 1.00 0.00 H new ATOM 135 N GLN A 12 19.750 -9.855 -9.256 1.00 0.00 N ATOM 136 CA GLN A 12 19.228 -8.508 -9.057 1.00 0.00 C ATOM 137 C GLN A 12 18.291 -8.113 -10.194 1.00 0.00 C ATOM 138 O GLN A 12 18.492 -8.481 -11.352 1.00 0.00 O ATOM 139 CB GLN A 12 20.377 -7.503 -8.955 1.00 0.00 C ATOM 140 CG GLN A 12 21.400 -7.855 -7.887 1.00 0.00 C ATOM 141 CD GLN A 12 22.790 -7.350 -8.222 1.00 0.00 C ATOM 142 OE1 GLN A 12 23.014 -6.145 -8.339 1.00 0.00 O ATOM 143 NE2 GLN A 12 23.733 -8.272 -8.377 1.00 0.00 N ATOM 0 H GLN A 12 20.064 -10.050 -10.207 1.00 0.00 H new ATOM 0 HA GLN A 12 18.663 -8.499 -8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 12 20.879 -7.439 -9.920 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.967 -6.516 -8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 12 21.084 -7.432 -6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 12 21.431 -8.937 -7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.503 -9.260 -8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 12 24.688 -7.992 -8.602 1.00 0.00 H new ATOM 152 N PRO A 13 17.243 -7.348 -9.858 1.00 0.00 N ATOM 153 CA PRO A 13 16.254 -6.887 -10.837 1.00 0.00 C ATOM 154 C PRO A 13 16.828 -5.850 -11.797 1.00 0.00 C ATOM 155 O PRO A 13 18.044 -5.698 -11.905 1.00 0.00 O ATOM 156 CB PRO A 13 15.159 -6.262 -9.969 1.00 0.00 C ATOM 157 CG PRO A 13 15.855 -5.856 -8.716 1.00 0.00 C ATOM 158 CD PRO A 13 16.942 -6.872 -8.497 1.00 0.00 C ATOM 0 HA PRO A 13 15.902 -7.699 -11.473 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.702 -5.405 -10.464 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.360 -6.975 -9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.272 -4.853 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.163 -5.837 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 13 17.818 -6.428 -8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.608 -7.685 -7.852 1.00 0.00 H new ATOM 166 N GLU A 14 15.945 -5.140 -12.492 1.00 0.00 N ATOM 167 CA GLU A 14 16.366 -4.119 -13.444 1.00 0.00 C ATOM 168 C GLU A 14 17.335 -3.136 -12.793 1.00 0.00 C ATOM 169 O GLU A 14 17.711 -3.294 -11.632 1.00 0.00 O ATOM 170 CB GLU A 14 15.150 -3.367 -13.990 1.00 0.00 C ATOM 171 CG GLU A 14 14.562 -3.990 -15.244 1.00 0.00 C ATOM 172 CD GLU A 14 13.102 -3.632 -15.444 1.00 0.00 C ATOM 173 OE1 GLU A 14 12.257 -4.132 -14.673 1.00 0.00 O ATOM 174 OE2 GLU A 14 12.805 -2.850 -16.372 1.00 0.00 O ATOM 0 H GLU A 14 14.934 -5.253 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 14 16.878 -4.616 -14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.381 -3.328 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.437 -2.338 -14.206 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.135 -3.662 -16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.662 -5.074 -15.188 1.00 0.00 H new ATOM 181 N VAL A 15 17.737 -2.121 -13.551 1.00 0.00 N ATOM 182 CA VAL A 15 18.663 -1.112 -13.050 1.00 0.00 C ATOM 183 C VAL A 15 18.031 0.275 -13.076 1.00 0.00 C ATOM 184 O VAL A 15 18.590 1.232 -12.543 1.00 0.00 O ATOM 185 CB VAL A 15 19.965 -1.086 -13.873 1.00 0.00 C ATOM 186 CG1 VAL A 15 20.966 -0.121 -13.258 1.00 0.00 C ATOM 187 CG2 VAL A 15 20.555 -2.484 -13.979 1.00 0.00 C ATOM 0 H VAL A 15 17.436 -1.975 -14.515 1.00 0.00 H new ATOM 0 HA VAL A 15 18.898 -1.382 -12.021 1.00 0.00 H new ATOM 0 HB VAL A 15 19.732 -0.737 -14.879 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.879 -0.116 -13.853 1.00 0.00 H new ATOM 0 HG12 VAL A 15 20.540 0.882 -13.239 1.00 0.00 H new ATOM 0 HG13 VAL A 15 21.197 -0.436 -12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.474 -2.448 -14.564 1.00 0.00 H new ATOM 0 HG22 VAL A 15 20.774 -2.863 -12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 15 19.840 -3.145 -14.469 1.00 0.00 H new ATOM 197 N GLN A 16 16.861 0.374 -13.700 1.00 0.00 N ATOM 198 CA GLN A 16 16.153 1.645 -13.796 1.00 0.00 C ATOM 199 C GLN A 16 14.707 1.498 -13.334 1.00 0.00 C ATOM 200 O GLN A 16 13.785 1.452 -14.149 1.00 0.00 O ATOM 201 CB GLN A 16 16.191 2.168 -15.233 1.00 0.00 C ATOM 202 CG GLN A 16 17.568 2.638 -15.673 1.00 0.00 C ATOM 203 CD GLN A 16 17.519 3.506 -16.915 1.00 0.00 C ATOM 204 OE1 GLN A 16 17.708 4.720 -16.845 1.00 0.00 O ATOM 205 NE2 GLN A 16 17.264 2.886 -18.061 1.00 0.00 N ATOM 0 H GLN A 16 16.384 -0.410 -14.146 1.00 0.00 H new ATOM 0 HA GLN A 16 16.653 2.361 -13.144 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.853 1.381 -15.906 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.486 2.994 -15.329 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.033 3.198 -14.861 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.200 1.771 -15.865 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.114 1.877 -18.073 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.219 3.418 -18.930 1.00 0.00 H new ATOM 214 N LEU A 17 14.515 1.425 -12.021 1.00 0.00 N ATOM 215 CA LEU A 17 13.180 1.283 -11.450 1.00 0.00 C ATOM 216 C LEU A 17 12.873 2.430 -10.492 1.00 0.00 C ATOM 217 O LEU A 17 13.769 3.107 -9.988 1.00 0.00 O ATOM 218 CB LEU A 17 13.057 -0.055 -10.718 1.00 0.00 C ATOM 219 CG LEU A 17 12.554 -1.233 -11.553 1.00 0.00 C ATOM 220 CD1 LEU A 17 12.984 -1.081 -13.004 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.062 -2.548 -10.980 1.00 0.00 C ATOM 0 H LEU A 17 15.267 1.462 -11.332 1.00 0.00 H new ATOM 0 HA LEU A 17 12.457 1.312 -12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.034 -0.315 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.384 0.078 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 17 11.465 -1.240 -11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.617 -1.929 -13.583 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.572 -0.158 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.072 -1.048 -13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.694 -3.375 -11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.152 -2.550 -10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.704 -2.661 -9.957 1.00 0.00 H new ATOM 233 N PRO A 18 11.576 2.653 -10.232 1.00 0.00 N ATOM 234 CA PRO A 18 11.120 3.715 -9.331 1.00 0.00 C ATOM 235 C PRO A 18 11.464 3.426 -7.874 1.00 0.00 C ATOM 236 O PRO A 18 11.744 2.286 -7.506 1.00 0.00 O ATOM 237 CB PRO A 18 9.603 3.724 -9.531 1.00 0.00 C ATOM 238 CG PRO A 18 9.273 2.345 -9.989 1.00 0.00 C ATOM 239 CD PRO A 18 10.454 1.884 -10.798 1.00 0.00 C ATOM 0 HA PRO A 18 11.598 4.670 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.083 3.969 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.305 4.468 -10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.099 1.683 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.363 2.340 -10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.613 0.810 -10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.320 2.091 -11.860 1.00 0.00 H new ATOM 247 N GLY A 19 11.439 4.467 -7.047 1.00 0.00 N ATOM 248 CA GLY A 19 11.749 4.303 -5.639 1.00 0.00 C ATOM 249 C GLY A 19 10.506 4.255 -4.773 1.00 0.00 C ATOM 250 O GLY A 19 9.382 4.407 -5.253 1.00 0.00 O ATOM 0 H GLY A 19 11.210 5.421 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.320 3.385 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.384 5.126 -5.312 1.00 0.00 H new ATOM 254 N PRO A 20 10.700 4.036 -3.464 1.00 0.00 N ATOM 255 CA PRO A 20 9.596 3.961 -2.502 1.00 0.00 C ATOM 256 C PRO A 20 8.930 5.314 -2.277 1.00 0.00 C ATOM 257 O PRO A 20 9.604 6.315 -2.036 1.00 0.00 O ATOM 258 CB PRO A 20 10.277 3.480 -1.218 1.00 0.00 C ATOM 259 CG PRO A 20 11.694 3.917 -1.354 1.00 0.00 C ATOM 260 CD PRO A 20 12.011 3.845 -2.822 1.00 0.00 C ATOM 0 HA PRO A 20 8.797 3.306 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.811 3.917 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.205 2.397 -1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.828 4.930 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.358 3.272 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.720 4.618 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.454 2.886 -3.091 1.00 0.00 H new ATOM 268 N ALA A 21 7.604 5.336 -2.357 1.00 0.00 N ATOM 269 CA ALA A 21 6.847 6.567 -2.159 1.00 0.00 C ATOM 270 C ALA A 21 6.932 7.037 -0.711 1.00 0.00 C ATOM 271 O ALA A 21 6.425 6.391 0.207 1.00 0.00 O ATOM 272 CB ALA A 21 5.395 6.364 -2.566 1.00 0.00 C ATOM 0 H ALA A 21 7.031 4.516 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 21 7.285 7.340 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.841 7.290 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.348 6.082 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.954 5.573 -1.959 1.00 0.00 H new ATOM 278 N PRO A 22 7.588 8.187 -0.498 1.00 0.00 N ATOM 279 CA PRO A 22 7.754 8.769 0.837 1.00 0.00 C ATOM 280 C PRO A 22 6.442 9.298 1.406 1.00 0.00 C ATOM 281 O PRO A 22 5.389 9.170 0.784 1.00 0.00 O ATOM 282 CB PRO A 22 8.738 9.918 0.603 1.00 0.00 C ATOM 283 CG PRO A 22 8.556 10.287 -0.829 1.00 0.00 C ATOM 284 CD PRO A 22 8.217 9.009 -1.546 1.00 0.00 C ATOM 0 HA PRO A 22 8.102 8.033 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.525 10.762 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.763 9.608 0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.760 11.022 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.463 10.734 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.538 9.184 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.106 8.529 -1.954 1.00 0.00 H new ATOM 292 N ASN A 23 6.515 9.892 2.593 1.00 0.00 N ATOM 293 CA ASN A 23 5.332 10.440 3.246 1.00 0.00 C ATOM 294 C ASN A 23 4.147 9.488 3.116 1.00 0.00 C ATOM 295 O ASN A 23 3.060 9.885 2.696 1.00 0.00 O ATOM 296 CB ASN A 23 4.975 11.801 2.643 1.00 0.00 C ATOM 297 CG ASN A 23 6.136 12.776 2.689 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.565 13.295 1.659 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.650 13.028 3.887 1.00 0.00 N ATOM 0 H ASN A 23 7.380 10.006 3.121 1.00 0.00 H new ATOM 0 HA ASN A 23 5.559 10.566 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.659 11.665 1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.128 12.224 3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.433 13.675 3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.262 12.574 4.714 1.00 0.00 H new ATOM 306 N LEU A 24 4.366 8.229 3.479 1.00 0.00 N ATOM 307 CA LEU A 24 3.316 7.218 3.404 1.00 0.00 C ATOM 308 C LEU A 24 2.523 7.159 4.706 1.00 0.00 C ATOM 309 O LEU A 24 2.982 6.595 5.699 1.00 0.00 O ATOM 310 CB LEU A 24 3.923 5.847 3.100 1.00 0.00 C ATOM 311 CG LEU A 24 2.945 4.671 3.075 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.019 4.773 1.872 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.700 3.350 3.059 1.00 0.00 C ATOM 0 H LEU A 24 5.260 7.884 3.828 1.00 0.00 H new ATOM 0 HA LEU A 24 2.636 7.494 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.422 5.899 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.692 5.639 3.844 1.00 0.00 H new ATOM 0 HG LEU A 24 2.338 4.708 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.330 3.928 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.453 5.703 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.610 4.761 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.988 2.524 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.332 3.303 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.321 3.275 3.952 1.00 0.00 H new ATOM 325 N ARG A 25 1.329 7.742 4.692 1.00 0.00 N ATOM 326 CA ARG A 25 0.471 7.755 5.871 1.00 0.00 C ATOM 327 C ARG A 25 -0.819 6.982 5.612 1.00 0.00 C ATOM 328 O ARG A 25 -1.234 6.813 4.466 1.00 0.00 O ATOM 329 CB ARG A 25 0.144 9.194 6.274 1.00 0.00 C ATOM 330 CG ARG A 25 1.296 10.163 6.061 1.00 0.00 C ATOM 331 CD ARG A 25 2.268 10.139 7.230 1.00 0.00 C ATOM 332 NE ARG A 25 1.850 11.032 8.307 1.00 0.00 N ATOM 333 CZ ARG A 25 1.867 12.357 8.212 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.279 12.939 7.095 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.471 13.102 9.237 1.00 0.00 N ATOM 0 H ARG A 25 0.934 8.212 3.877 1.00 0.00 H new ATOM 0 HA ARG A 25 1.008 7.270 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.718 9.536 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.145 9.211 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.824 9.906 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.905 11.172 5.932 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.349 9.122 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.260 10.429 6.883 1.00 0.00 H new ATOM 0 HE ARG A 25 1.527 10.616 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.584 12.369 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.291 13.956 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.153 12.657 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.484 14.119 9.163 1.00 0.00 H new ATOM 349 N ALA A 26 -1.448 6.515 6.686 1.00 0.00 N ATOM 350 CA ALA A 26 -2.691 5.761 6.576 1.00 0.00 C ATOM 351 C ALA A 26 -3.547 5.929 7.827 1.00 0.00 C ATOM 352 O ALA A 26 -3.079 5.711 8.945 1.00 0.00 O ATOM 353 CB ALA A 26 -2.395 4.289 6.329 1.00 0.00 C ATOM 0 H ALA A 26 -1.117 6.646 7.642 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.252 6.154 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.332 3.738 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.831 4.182 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.810 3.891 7.158 1.00 0.00 H new ATOM 359 N TYR A 27 -4.801 6.318 7.631 1.00 0.00 N ATOM 360 CA TYR A 27 -5.722 6.518 8.744 1.00 0.00 C ATOM 361 C TYR A 27 -7.125 6.040 8.384 1.00 0.00 C ATOM 362 O TYR A 27 -7.588 6.231 7.260 1.00 0.00 O ATOM 363 CB TYR A 27 -5.761 7.994 9.142 1.00 0.00 C ATOM 364 CG TYR A 27 -6.038 8.927 7.985 1.00 0.00 C ATOM 365 CD1 TYR A 27 -5.015 9.345 7.143 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.325 9.388 7.732 1.00 0.00 C ATOM 367 CE1 TYR A 27 -5.264 10.197 6.085 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.583 10.239 6.675 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.550 10.641 5.854 1.00 0.00 C ATOM 370 OH TYR A 27 -6.802 11.489 4.800 1.00 0.00 O ATOM 0 H TYR A 27 -5.204 6.501 6.712 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.363 5.930 9.589 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.528 8.136 9.904 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.807 8.264 9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.008 8.998 7.319 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.136 9.076 8.373 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.456 10.514 5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.589 10.588 6.492 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.762 11.681 4.757 1.00 0.00 H new ATOM 380 N ALA A 28 -7.796 5.417 9.347 1.00 0.00 N ATOM 381 CA ALA A 28 -9.147 4.913 9.133 1.00 0.00 C ATOM 382 C ALA A 28 -10.170 6.043 9.191 1.00 0.00 C ATOM 383 O ALA A 28 -10.548 6.496 10.271 1.00 0.00 O ATOM 384 CB ALA A 28 -9.481 3.843 10.163 1.00 0.00 C ATOM 0 H ALA A 28 -7.426 5.249 10.283 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.189 4.470 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.493 3.476 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.775 3.018 10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.415 4.269 11.164 1.00 0.00 H new ATOM 390 N ALA A 29 -10.614 6.493 8.022 1.00 0.00 N ATOM 391 CA ALA A 29 -11.594 7.569 7.940 1.00 0.00 C ATOM 392 C ALA A 29 -12.967 7.097 8.406 1.00 0.00 C ATOM 393 O ALA A 29 -13.817 7.904 8.782 1.00 0.00 O ATOM 394 CB ALA A 29 -11.672 8.105 6.518 1.00 0.00 C ATOM 0 H ALA A 29 -10.311 6.129 7.119 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.271 8.373 8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.408 8.908 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.696 8.489 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.968 7.302 5.842 1.00 0.00 H new ATOM 400 N SER A 30 -13.178 5.785 8.377 1.00 0.00 N ATOM 401 CA SER A 30 -14.451 5.206 8.791 1.00 0.00 C ATOM 402 C SER A 30 -14.275 3.748 9.206 1.00 0.00 C ATOM 403 O SER A 30 -13.294 3.091 8.858 1.00 0.00 O ATOM 404 CB SER A 30 -15.475 5.307 7.659 1.00 0.00 C ATOM 405 OG SER A 30 -16.189 6.529 7.724 1.00 0.00 O ATOM 0 H SER A 30 -12.484 5.103 8.071 1.00 0.00 H new ATOM 0 HA SER A 30 -14.815 5.769 9.650 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.967 5.230 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.172 4.471 7.720 1.00 0.00 H new ATOM 0 HG SER A 30 -15.602 7.232 8.073 1.00 0.00 H new ATOM 411 N PRO A 31 -15.250 3.229 9.967 1.00 0.00 N ATOM 412 CA PRO A 31 -15.227 1.843 10.445 1.00 0.00 C ATOM 413 C PRO A 31 -15.437 0.838 9.319 1.00 0.00 C ATOM 414 O PRO A 31 -15.376 -0.374 9.534 1.00 0.00 O ATOM 415 CB PRO A 31 -16.394 1.790 11.434 1.00 0.00 C ATOM 416 CG PRO A 31 -17.321 2.867 10.985 1.00 0.00 C ATOM 417 CD PRO A 31 -16.449 3.954 10.419 1.00 0.00 C ATOM 0 HA PRO A 31 -14.265 1.579 10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.882 0.816 11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.055 1.960 12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.017 2.494 10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.919 3.240 11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.939 4.474 9.595 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.205 4.705 11.170 1.00 0.00 H new ATOM 425 N THR A 32 -15.684 1.346 8.116 1.00 0.00 N ATOM 426 CA THR A 32 -15.904 0.493 6.955 1.00 0.00 C ATOM 427 C THR A 32 -15.050 0.940 5.774 1.00 0.00 C ATOM 428 O THR A 32 -15.118 0.358 4.691 1.00 0.00 O ATOM 429 CB THR A 32 -17.385 0.491 6.532 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.784 1.808 6.137 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.272 0.006 7.668 1.00 0.00 C ATOM 0 H THR A 32 -15.737 2.346 7.920 1.00 0.00 H new ATOM 0 HA THR A 32 -15.616 -0.517 7.246 1.00 0.00 H new ATOM 0 HB THR A 32 -17.498 -0.190 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.726 1.797 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.313 0.013 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.985 -1.008 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.154 0.665 8.528 1.00 0.00 H new ATOM 439 N SER A 33 -14.246 1.976 5.990 1.00 0.00 N ATOM 440 CA SER A 33 -13.380 2.503 4.941 1.00 0.00 C ATOM 441 C SER A 33 -12.030 2.925 5.513 1.00 0.00 C ATOM 442 O SER A 33 -11.853 2.993 6.730 1.00 0.00 O ATOM 443 CB SER A 33 -14.048 3.692 4.249 1.00 0.00 C ATOM 444 OG SER A 33 -13.650 3.782 2.892 1.00 0.00 O ATOM 0 H SER A 33 -14.176 2.467 6.881 1.00 0.00 H new ATOM 0 HA SER A 33 -13.214 1.713 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.132 3.589 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.787 4.613 4.770 1.00 0.00 H new ATOM 0 HG SER A 33 -13.988 4.617 2.507 1.00 0.00 H new ATOM 450 N ILE A 34 -11.082 3.208 4.626 1.00 0.00 N ATOM 451 CA ILE A 34 -9.748 3.625 5.041 1.00 0.00 C ATOM 452 C ILE A 34 -9.114 4.549 4.007 1.00 0.00 C ATOM 453 O ILE A 34 -9.159 4.279 2.806 1.00 0.00 O ATOM 454 CB ILE A 34 -8.824 2.413 5.266 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.298 1.600 6.473 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.387 2.872 5.460 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.578 0.279 6.631 1.00 0.00 C ATOM 0 H ILE A 34 -11.213 3.156 3.616 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.864 4.163 5.982 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.864 1.774 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.157 2.192 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.368 1.413 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.746 2.005 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.055 3.412 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.329 3.529 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.964 -0.244 7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.739 -0.332 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.511 0.459 6.758 1.00 0.00 H new ATOM 469 N THR A 35 -8.521 5.640 4.481 1.00 0.00 N ATOM 470 CA THR A 35 -7.877 6.604 3.598 1.00 0.00 C ATOM 471 C THR A 35 -6.359 6.482 3.665 1.00 0.00 C ATOM 472 O THR A 35 -5.775 6.459 4.748 1.00 0.00 O ATOM 473 CB THR A 35 -8.280 8.048 3.953 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.673 8.247 3.687 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.459 9.050 3.156 1.00 0.00 C ATOM 0 H THR A 35 -8.473 5.878 5.472 1.00 0.00 H new ATOM 0 HA THR A 35 -8.213 6.379 2.586 1.00 0.00 H new ATOM 0 HB THR A 35 -8.087 8.205 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.922 9.167 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.761 10.063 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.401 8.915 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.625 8.891 2.091 1.00 0.00 H new ATOM 483 N VAL A 36 -5.724 6.404 2.499 1.00 0.00 N ATOM 484 CA VAL A 36 -4.273 6.286 2.426 1.00 0.00 C ATOM 485 C VAL A 36 -3.672 7.407 1.585 1.00 0.00 C ATOM 486 O VAL A 36 -4.087 7.637 0.449 1.00 0.00 O ATOM 487 CB VAL A 36 -3.850 4.930 1.830 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.356 4.707 2.017 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.648 3.799 2.461 1.00 0.00 C ATOM 0 H VAL A 36 -6.192 6.420 1.593 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.898 6.360 3.447 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.061 4.941 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.076 3.744 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.804 5.501 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.117 4.715 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.336 2.848 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.470 3.784 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.710 3.953 2.271 1.00 0.00 H new ATOM 499 N THR A 37 -2.691 8.103 2.151 1.00 0.00 N ATOM 500 CA THR A 37 -2.033 9.201 1.455 1.00 0.00 C ATOM 501 C THR A 37 -0.528 8.972 1.365 1.00 0.00 C ATOM 502 O THR A 37 0.120 8.651 2.361 1.00 0.00 O ATOM 503 CB THR A 37 -2.295 10.548 2.155 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.660 10.565 3.438 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.788 10.791 2.318 1.00 0.00 C ATOM 0 H THR A 37 -2.335 7.925 3.090 1.00 0.00 H new ATOM 0 HA THR A 37 -2.453 9.235 0.450 1.00 0.00 H new ATOM 0 HB THR A 37 -1.879 11.342 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.999 9.843 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.949 11.748 2.815 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.263 10.807 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.223 9.993 2.919 1.00 0.00 H new ATOM 513 N TRP A 38 0.021 9.140 0.168 1.00 0.00 N ATOM 514 CA TRP A 38 1.450 8.952 -0.051 1.00 0.00 C ATOM 515 C TRP A 38 2.006 10.029 -0.976 1.00 0.00 C ATOM 516 O TRP A 38 1.250 10.765 -1.610 1.00 0.00 O ATOM 517 CB TRP A 38 1.719 7.567 -0.641 1.00 0.00 C ATOM 518 CG TRP A 38 1.064 7.351 -1.971 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.564 7.689 -3.196 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.214 6.750 -2.210 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.675 7.334 -4.182 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.424 6.755 -3.602 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.200 6.206 -1.382 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.579 6.239 -4.183 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.346 5.694 -1.960 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.528 5.713 -3.349 1.00 0.00 C ATOM 0 H TRP A 38 -0.502 9.406 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 38 1.953 9.032 0.913 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.795 7.428 -0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.367 6.808 0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.518 8.166 -3.365 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.811 7.478 -5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.069 6.186 -0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.721 6.253 -5.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.115 5.272 -1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.435 5.305 -3.770 1.00 0.00 H new ATOM 537 N GLU A 39 3.330 10.115 -1.050 1.00 0.00 N ATOM 538 CA GLU A 39 3.985 11.104 -1.899 1.00 0.00 C ATOM 539 C GLU A 39 4.816 10.424 -2.984 1.00 0.00 C ATOM 540 O GLU A 39 5.093 9.226 -2.912 1.00 0.00 O ATOM 541 CB GLU A 39 4.877 12.020 -1.058 1.00 0.00 C ATOM 542 CG GLU A 39 4.112 13.115 -0.333 1.00 0.00 C ATOM 543 CD GLU A 39 3.905 14.348 -1.190 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.919 14.215 -2.432 1.00 0.00 O ATOM 545 OE2 GLU A 39 3.729 15.445 -0.620 1.00 0.00 O ATOM 0 H GLU A 39 3.970 9.512 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 39 3.211 11.703 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.414 11.418 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.625 12.478 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.142 12.729 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.653 13.393 0.572 1.00 0.00 H new ATOM 552 N THR A 40 5.210 11.198 -3.990 1.00 0.00 N ATOM 553 CA THR A 40 6.007 10.672 -5.091 1.00 0.00 C ATOM 554 C THR A 40 7.493 10.690 -4.752 1.00 0.00 C ATOM 555 O THR A 40 8.010 11.642 -4.167 1.00 0.00 O ATOM 556 CB THR A 40 5.778 11.477 -6.385 1.00 0.00 C ATOM 557 OG1 THR A 40 4.408 11.374 -6.789 1.00 0.00 O ATOM 558 CG2 THR A 40 6.681 10.975 -7.502 1.00 0.00 C ATOM 0 H THR A 40 4.990 12.191 -4.065 1.00 0.00 H new ATOM 0 HA THR A 40 5.686 9.643 -5.250 1.00 0.00 H new ATOM 0 HB THR A 40 6.020 12.521 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.868 12.013 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.501 11.558 -8.405 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.724 11.082 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.466 9.925 -7.700 1.00 0.00 H new ATOM 566 N PRO A 41 8.199 9.613 -5.127 1.00 0.00 N ATOM 567 CA PRO A 41 9.637 9.482 -4.874 1.00 0.00 C ATOM 568 C PRO A 41 10.465 10.442 -5.722 1.00 0.00 C ATOM 569 O PRO A 41 10.265 10.548 -6.932 1.00 0.00 O ATOM 570 CB PRO A 41 9.935 8.032 -5.263 1.00 0.00 C ATOM 571 CG PRO A 41 8.875 7.678 -6.248 1.00 0.00 C ATOM 572 CD PRO A 41 7.649 8.441 -5.828 1.00 0.00 C ATOM 0 HA PRO A 41 9.893 9.722 -3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.929 7.936 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.903 7.375 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.176 7.949 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.686 6.605 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.044 8.734 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.010 7.846 -5.176 1.00 0.00 H new ATOM 580 N VAL A 42 11.397 11.138 -5.079 1.00 0.00 N ATOM 581 CA VAL A 42 12.257 12.088 -5.774 1.00 0.00 C ATOM 582 C VAL A 42 13.156 11.381 -6.782 1.00 0.00 C ATOM 583 O VAL A 42 13.686 12.004 -7.702 1.00 0.00 O ATOM 584 CB VAL A 42 13.135 12.879 -4.786 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.269 13.665 -3.813 1.00 0.00 C ATOM 586 CG2 VAL A 42 14.073 11.941 -4.040 1.00 0.00 C ATOM 0 H VAL A 42 11.576 11.062 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 42 11.601 12.781 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 42 13.740 13.588 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.907 14.217 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.642 14.364 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.637 12.977 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.686 12.516 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.488 11.207 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.717 11.427 -4.754 1.00 0.00 H new ATOM 596 N SER A 43 13.323 10.074 -6.602 1.00 0.00 N ATOM 597 CA SER A 43 14.161 9.281 -7.494 1.00 0.00 C ATOM 598 C SER A 43 13.307 8.418 -8.417 1.00 0.00 C ATOM 599 O SER A 43 12.352 7.778 -7.979 1.00 0.00 O ATOM 600 CB SER A 43 15.110 8.396 -6.683 1.00 0.00 C ATOM 601 OG SER A 43 16.276 8.085 -7.426 1.00 0.00 O ATOM 0 H SER A 43 12.889 9.543 -5.847 1.00 0.00 H new ATOM 0 HA SER A 43 14.748 9.966 -8.106 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.388 8.905 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.600 7.476 -6.398 1.00 0.00 H new ATOM 0 HG SER A 43 16.867 7.520 -6.886 1.00 0.00 H new ATOM 607 N GLY A 44 13.658 8.407 -9.700 1.00 0.00 N ATOM 608 CA GLY A 44 12.914 7.620 -10.666 1.00 0.00 C ATOM 609 C GLY A 44 13.140 8.085 -12.090 1.00 0.00 C ATOM 610 O GLY A 44 13.533 9.228 -12.322 1.00 0.00 O ATOM 0 H GLY A 44 14.444 8.929 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.205 6.573 -10.578 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.851 7.676 -10.433 1.00 0.00 H new ATOM 614 N ASN A 45 12.893 7.197 -13.048 1.00 0.00 N ATOM 615 CA ASN A 45 13.075 7.523 -14.458 1.00 0.00 C ATOM 616 C ASN A 45 11.768 8.013 -15.075 1.00 0.00 C ATOM 617 O ASN A 45 10.748 7.329 -15.017 1.00 0.00 O ATOM 618 CB ASN A 45 13.588 6.302 -15.223 1.00 0.00 C ATOM 619 CG ASN A 45 13.599 6.522 -16.723 1.00 0.00 C ATOM 620 OD1 ASN A 45 12.639 6.187 -17.418 1.00 0.00 O ATOM 621 ND2 ASN A 45 14.688 7.089 -17.230 1.00 0.00 N ATOM 0 H ASN A 45 12.566 6.247 -12.874 1.00 0.00 H new ATOM 0 HA ASN A 45 13.812 8.323 -14.529 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.597 6.063 -14.886 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.962 5.441 -14.989 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.753 7.263 -18.233 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.460 7.350 -16.616 1.00 0.00 H new ATOM 628 N GLY A 46 11.809 9.202 -15.668 1.00 0.00 N ATOM 629 CA GLY A 46 10.623 9.763 -16.289 1.00 0.00 C ATOM 630 C GLY A 46 9.514 10.022 -15.289 1.00 0.00 C ATOM 631 O GLY A 46 9.719 10.709 -14.289 1.00 0.00 O ATOM 0 H GLY A 46 12.642 9.787 -15.730 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.884 10.697 -16.787 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.262 9.081 -17.059 1.00 0.00 H new ATOM 635 N GLU A 47 8.334 9.473 -15.561 1.00 0.00 N ATOM 636 CA GLU A 47 7.187 9.652 -14.678 1.00 0.00 C ATOM 637 C GLU A 47 6.479 8.323 -14.431 1.00 0.00 C ATOM 638 O GLU A 47 6.521 7.420 -15.267 1.00 0.00 O ATOM 639 CB GLU A 47 6.206 10.662 -15.277 1.00 0.00 C ATOM 640 CG GLU A 47 5.995 10.492 -16.773 1.00 0.00 C ATOM 641 CD GLU A 47 4.869 11.357 -17.305 1.00 0.00 C ATOM 642 OE1 GLU A 47 5.129 12.531 -17.640 1.00 0.00 O ATOM 643 OE2 GLU A 47 3.727 10.858 -17.386 1.00 0.00 O ATOM 0 H GLU A 47 8.147 8.901 -16.385 1.00 0.00 H new ATOM 0 HA GLU A 47 7.551 10.033 -13.724 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.246 10.568 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.572 11.670 -15.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.918 10.741 -17.297 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.778 9.446 -16.989 1.00 0.00 H new ATOM 650 N ILE A 48 5.828 8.212 -13.278 1.00 0.00 N ATOM 651 CA ILE A 48 5.110 6.995 -12.920 1.00 0.00 C ATOM 652 C ILE A 48 3.780 6.904 -13.661 1.00 0.00 C ATOM 653 O ILE A 48 2.914 7.763 -13.507 1.00 0.00 O ATOM 654 CB ILE A 48 4.847 6.921 -11.405 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.135 7.198 -10.627 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.279 5.559 -11.032 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.190 6.129 -10.805 1.00 0.00 C ATOM 0 H ILE A 48 5.783 8.950 -12.576 1.00 0.00 H new ATOM 0 HA ILE A 48 5.744 6.157 -13.211 1.00 0.00 H new ATOM 0 HB ILE A 48 4.114 7.684 -11.141 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.543 8.157 -10.946 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.897 7.290 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.098 5.522 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.341 5.398 -11.563 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.990 4.780 -11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.075 6.391 -10.225 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.800 5.172 -10.459 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.456 6.053 -11.859 1.00 0.00 H new ATOM 669 N GLN A 49 3.627 5.855 -14.464 1.00 0.00 N ATOM 670 CA GLN A 49 2.402 5.651 -15.227 1.00 0.00 C ATOM 671 C GLN A 49 1.183 5.651 -14.311 1.00 0.00 C ATOM 672 O GLN A 49 0.265 6.452 -14.482 1.00 0.00 O ATOM 673 CB GLN A 49 2.472 4.335 -16.003 1.00 0.00 C ATOM 674 CG GLN A 49 3.732 4.188 -16.840 1.00 0.00 C ATOM 675 CD GLN A 49 3.948 5.359 -17.779 1.00 0.00 C ATOM 676 OE1 GLN A 49 2.993 5.945 -18.289 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.209 5.707 -18.011 1.00 0.00 N ATOM 0 H GLN A 49 4.336 5.135 -14.602 1.00 0.00 H new ATOM 0 HA GLN A 49 2.303 6.476 -15.933 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.414 3.505 -15.299 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.602 4.261 -16.655 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.594 4.093 -16.179 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.673 3.267 -17.421 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.970 5.193 -17.567 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.416 6.488 -18.633 1.00 0.00 H new ATOM 686 N ASN A 50 1.181 4.746 -13.337 1.00 0.00 N ATOM 687 CA ASN A 50 0.074 4.641 -12.394 1.00 0.00 C ATOM 688 C ASN A 50 0.560 4.136 -11.039 1.00 0.00 C ATOM 689 O ASN A 50 1.544 3.401 -10.955 1.00 0.00 O ATOM 690 CB ASN A 50 -1.005 3.705 -12.943 1.00 0.00 C ATOM 691 CG ASN A 50 -2.035 4.438 -13.781 1.00 0.00 C ATOM 692 OD1 ASN A 50 -1.704 5.043 -14.801 1.00 0.00 O ATOM 693 ND2 ASN A 50 -3.290 4.387 -13.353 1.00 0.00 N ATOM 0 H ASN A 50 1.933 4.075 -13.181 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.352 5.635 -12.260 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.535 2.928 -13.547 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.505 3.205 -12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.027 4.861 -13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.518 3.873 -12.502 1.00 0.00 H new ATOM 700 N TYR A 51 -0.137 4.534 -9.980 1.00 0.00 N ATOM 701 CA TYR A 51 0.224 4.123 -8.629 1.00 0.00 C ATOM 702 C TYR A 51 -0.603 2.920 -8.186 1.00 0.00 C ATOM 703 O TYR A 51 -1.833 2.972 -8.160 1.00 0.00 O ATOM 704 CB TYR A 51 0.024 5.282 -7.650 1.00 0.00 C ATOM 705 CG TYR A 51 1.160 6.279 -7.653 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.442 5.903 -7.269 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.952 7.598 -8.038 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.483 6.811 -7.270 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.988 8.512 -8.043 1.00 0.00 C ATOM 710 CZ TYR A 51 3.251 8.114 -7.657 1.00 0.00 C ATOM 711 OH TYR A 51 4.285 9.022 -7.659 1.00 0.00 O ATOM 0 H TYR A 51 -0.955 5.141 -10.032 1.00 0.00 H new ATOM 0 HA TYR A 51 1.276 3.836 -8.633 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.903 5.799 -7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.093 4.880 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.627 4.883 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.036 7.914 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.473 6.502 -6.969 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.810 9.533 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 51 4.074 9.760 -7.050 1.00 0.00 H new ATOM 721 N LYS A 52 0.081 1.836 -7.837 1.00 0.00 N ATOM 722 CA LYS A 52 -0.587 0.619 -7.393 1.00 0.00 C ATOM 723 C LYS A 52 -0.733 0.601 -5.875 1.00 0.00 C ATOM 724 O LYS A 52 0.259 0.571 -5.146 1.00 0.00 O ATOM 725 CB LYS A 52 0.193 -0.614 -7.855 1.00 0.00 C ATOM 726 CG LYS A 52 -0.636 -1.887 -7.873 1.00 0.00 C ATOM 727 CD LYS A 52 -1.553 -1.938 -9.084 1.00 0.00 C ATOM 728 CE LYS A 52 -0.874 -2.605 -10.270 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.779 -2.694 -11.449 1.00 0.00 N ATOM 0 H LYS A 52 1.099 1.776 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.582 0.599 -7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.585 -0.432 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.051 -0.758 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.026 -2.753 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.231 -1.948 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.462 -2.483 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.853 -0.926 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.020 -2.043 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.548 -3.606 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.254 -2.440 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.140 -3.665 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.577 -2.039 -11.325 1.00 0.00 H new ATOM 743 N LEU A 53 -1.975 0.618 -5.404 1.00 0.00 N ATOM 744 CA LEU A 53 -2.251 0.603 -3.971 1.00 0.00 C ATOM 745 C LEU A 53 -2.786 -0.757 -3.535 1.00 0.00 C ATOM 746 O LEU A 53 -3.921 -1.118 -3.847 1.00 0.00 O ATOM 747 CB LEU A 53 -3.256 1.698 -3.614 1.00 0.00 C ATOM 748 CG LEU A 53 -3.873 1.613 -2.217 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.816 1.853 -1.151 1.00 0.00 C ATOM 750 CD2 LEU A 53 -5.012 2.612 -2.075 1.00 0.00 C ATOM 0 H LEU A 53 -2.807 0.642 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.316 0.791 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.761 2.664 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.062 1.677 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.277 0.610 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.274 1.789 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.034 1.099 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.382 2.844 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.439 2.537 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.632 3.621 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.782 2.394 -2.815 1.00 0.00 H new ATOM 762 N TYR A 54 -1.963 -1.506 -2.810 1.00 0.00 N ATOM 763 CA TYR A 54 -2.353 -2.826 -2.330 1.00 0.00 C ATOM 764 C TYR A 54 -3.102 -2.725 -1.004 1.00 0.00 C ATOM 765 O TYR A 54 -2.928 -1.766 -0.252 1.00 0.00 O ATOM 766 CB TYR A 54 -1.121 -3.717 -2.166 1.00 0.00 C ATOM 767 CG TYR A 54 -0.430 -4.042 -3.471 1.00 0.00 C ATOM 768 CD1 TYR A 54 0.015 -3.031 -4.314 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.222 -5.359 -3.861 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.646 -3.323 -5.507 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.409 -5.660 -5.052 1.00 0.00 C ATOM 772 CZ TYR A 54 0.841 -4.639 -5.872 1.00 0.00 C ATOM 773 OH TYR A 54 1.471 -4.934 -7.060 1.00 0.00 O ATOM 0 H TYR A 54 -1.021 -1.221 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.019 -3.271 -3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.412 -3.223 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.418 -4.647 -1.680 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.135 -2.000 -4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.560 -6.161 -3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.985 -2.525 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.563 -6.690 -5.340 1.00 0.00 H new ATOM 0 HH TYR A 54 1.530 -5.906 -7.166 1.00 0.00 H new ATOM 783 N TYR A 55 -3.934 -3.721 -0.724 1.00 0.00 N ATOM 784 CA TYR A 55 -4.711 -3.745 0.509 1.00 0.00 C ATOM 785 C TYR A 55 -5.176 -5.162 0.833 1.00 0.00 C ATOM 786 O TYR A 55 -5.687 -5.872 -0.033 1.00 0.00 O ATOM 787 CB TYR A 55 -5.919 -2.813 0.394 1.00 0.00 C ATOM 788 CG TYR A 55 -6.995 -3.329 -0.534 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.781 -3.401 -1.905 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.226 -3.743 -0.041 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.762 -3.871 -2.757 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.212 -4.216 -0.885 1.00 0.00 C ATOM 793 CZ TYR A 55 -8.975 -4.277 -2.243 1.00 0.00 C ATOM 794 OH TYR A 55 -9.955 -4.746 -3.087 1.00 0.00 O ATOM 0 H TYR A 55 -4.088 -4.523 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.069 -3.399 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.347 -2.663 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.583 -1.838 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.832 -3.084 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.416 -3.694 1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.579 -3.920 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.163 -4.536 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.848 -5.713 -3.208 1.00 0.00 H new ATOM 804 N MET A 56 -4.996 -5.565 2.086 1.00 0.00 N ATOM 805 CA MET A 56 -5.399 -6.895 2.526 1.00 0.00 C ATOM 806 C MET A 56 -5.650 -6.918 4.031 1.00 0.00 C ATOM 807 O MET A 56 -5.200 -6.032 4.757 1.00 0.00 O ATOM 808 CB MET A 56 -4.326 -7.923 2.161 1.00 0.00 C ATOM 809 CG MET A 56 -3.297 -8.142 3.257 1.00 0.00 C ATOM 810 SD MET A 56 -1.677 -8.597 2.608 1.00 0.00 S ATOM 811 CE MET A 56 -1.104 -9.716 3.884 1.00 0.00 C ATOM 0 H MET A 56 -4.574 -4.990 2.815 1.00 0.00 H new ATOM 0 HA MET A 56 -6.328 -7.153 2.017 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.808 -8.873 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.816 -7.597 1.255 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.204 -7.232 3.850 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.648 -8.925 3.928 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.111 -10.084 3.626 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.059 -9.189 4.837 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.792 -10.557 3.966 1.00 0.00 H new ATOM 821 N GLU A 57 -6.372 -7.935 4.491 1.00 0.00 N ATOM 822 CA GLU A 57 -6.683 -8.071 5.909 1.00 0.00 C ATOM 823 C GLU A 57 -5.621 -8.903 6.622 1.00 0.00 C ATOM 824 O GLU A 57 -5.211 -9.957 6.135 1.00 0.00 O ATOM 825 CB GLU A 57 -8.059 -8.714 6.093 1.00 0.00 C ATOM 826 CG GLU A 57 -8.652 -8.498 7.474 1.00 0.00 C ATOM 827 CD GLU A 57 -9.662 -9.565 7.849 1.00 0.00 C ATOM 828 OE1 GLU A 57 -9.549 -10.697 7.335 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.567 -9.267 8.658 1.00 0.00 O ATOM 0 H GLU A 57 -6.752 -8.676 3.903 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.694 -7.074 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.742 -8.310 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.978 -9.785 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.850 -8.487 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.132 -7.520 7.510 1.00 0.00 H new ATOM 836 N LYS A 58 -5.178 -8.421 7.778 1.00 0.00 N ATOM 837 CA LYS A 58 -4.164 -9.118 8.560 1.00 0.00 C ATOM 838 C LYS A 58 -4.598 -10.549 8.861 1.00 0.00 C ATOM 839 O LYS A 58 -5.389 -10.790 9.771 1.00 0.00 O ATOM 840 CB LYS A 58 -3.895 -8.370 9.868 1.00 0.00 C ATOM 841 CG LYS A 58 -2.471 -8.520 10.373 1.00 0.00 C ATOM 842 CD LYS A 58 -1.568 -7.425 9.831 1.00 0.00 C ATOM 843 CE LYS A 58 -0.238 -7.384 10.566 1.00 0.00 C ATOM 844 NZ LYS A 58 0.757 -8.314 9.965 1.00 0.00 N ATOM 0 H LYS A 58 -5.506 -7.549 8.194 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.247 -9.151 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.110 -7.311 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.583 -8.733 10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.466 -8.491 11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.080 -9.494 10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.392 -7.590 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.067 -6.461 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.156 -6.368 10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.393 -7.645 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.650 -8.256 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.392 -9.287 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.925 -8.049 8.973 1.00 0.00 H new ATOM 858 N GLY A 59 -4.073 -11.496 8.089 1.00 0.00 N ATOM 859 CA GLY A 59 -4.417 -12.892 8.290 1.00 0.00 C ATOM 860 C GLY A 59 -5.199 -13.469 7.126 1.00 0.00 C ATOM 861 O GLY A 59 -6.106 -14.279 7.319 1.00 0.00 O ATOM 0 H GLY A 59 -3.416 -11.322 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.505 -13.471 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.004 -12.991 9.203 1.00 0.00 H new ATOM 865 N THR A 60 -4.848 -13.052 5.914 1.00 0.00 N ATOM 866 CA THR A 60 -5.525 -13.530 4.715 1.00 0.00 C ATOM 867 C THR A 60 -4.528 -14.090 3.707 1.00 0.00 C ATOM 868 O THR A 60 -4.870 -14.947 2.892 1.00 0.00 O ATOM 869 CB THR A 60 -6.340 -12.408 4.045 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.811 -11.486 5.034 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.521 -12.982 3.276 1.00 0.00 C ATOM 0 H THR A 60 -4.098 -12.384 5.737 1.00 0.00 H new ATOM 0 HA THR A 60 -6.203 -14.323 5.030 1.00 0.00 H new ATOM 0 HB THR A 60 -5.689 -11.886 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.202 -10.720 5.084 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.082 -12.171 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.158 -13.660 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.171 -13.527 3.961 1.00 0.00 H new ATOM 879 N ASP A 61 -3.294 -13.602 3.769 1.00 0.00 N ATOM 880 CA ASP A 61 -2.246 -14.056 2.862 1.00 0.00 C ATOM 881 C ASP A 61 -2.695 -13.936 1.409 1.00 0.00 C ATOM 882 O ASP A 61 -2.206 -14.652 0.535 1.00 0.00 O ATOM 883 CB ASP A 61 -1.865 -15.505 3.173 1.00 0.00 C ATOM 884 CG ASP A 61 -2.869 -16.498 2.622 1.00 0.00 C ATOM 885 OD1 ASP A 61 -2.809 -16.793 1.410 1.00 0.00 O ATOM 886 OD2 ASP A 61 -3.715 -16.981 3.403 1.00 0.00 O ATOM 0 H ASP A 61 -2.995 -12.892 4.438 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.373 -13.420 3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.881 -15.717 2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.786 -15.633 4.253 1.00 0.00 H new ATOM 891 N LYS A 62 -3.630 -13.025 1.158 1.00 0.00 N ATOM 892 CA LYS A 62 -4.146 -12.810 -0.189 1.00 0.00 C ATOM 893 C LYS A 62 -4.162 -11.324 -0.533 1.00 0.00 C ATOM 894 O LYS A 62 -5.225 -10.713 -0.635 1.00 0.00 O ATOM 895 CB LYS A 62 -5.556 -13.389 -0.315 1.00 0.00 C ATOM 896 CG LYS A 62 -6.113 -13.331 -1.727 1.00 0.00 C ATOM 897 CD LYS A 62 -5.438 -14.346 -2.635 1.00 0.00 C ATOM 898 CE LYS A 62 -6.075 -15.721 -2.505 1.00 0.00 C ATOM 899 NZ LYS A 62 -5.473 -16.703 -3.448 1.00 0.00 N ATOM 0 H LYS A 62 -4.046 -12.424 1.870 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.487 -13.321 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.545 -14.426 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.224 -12.845 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.186 -13.519 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.974 -12.329 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.503 -14.010 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.379 -14.410 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.957 -16.080 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.146 -15.645 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.934 -17.627 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.607 -16.373 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.456 -16.796 -3.251 1.00 0.00 H new ATOM 913 N GLU A 63 -2.977 -10.750 -0.714 1.00 0.00 N ATOM 914 CA GLU A 63 -2.857 -9.335 -1.048 1.00 0.00 C ATOM 915 C GLU A 63 -3.536 -9.032 -2.380 1.00 0.00 C ATOM 916 O GLU A 63 -3.643 -9.900 -3.245 1.00 0.00 O ATOM 917 CB GLU A 63 -1.383 -8.926 -1.109 1.00 0.00 C ATOM 918 CG GLU A 63 -1.138 -7.477 -0.722 1.00 0.00 C ATOM 919 CD GLU A 63 0.315 -7.202 -0.384 1.00 0.00 C ATOM 920 OE1 GLU A 63 1.166 -7.315 -1.292 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.601 -6.875 0.786 1.00 0.00 O ATOM 0 H GLU A 63 -2.087 -11.242 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.354 -8.759 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.807 -9.573 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.010 -9.092 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.445 -6.829 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.761 -7.223 0.136 1.00 0.00 H new ATOM 928 N GLN A 64 -3.992 -7.793 -2.536 1.00 0.00 N ATOM 929 CA GLN A 64 -4.662 -7.375 -3.762 1.00 0.00 C ATOM 930 C GLN A 64 -3.980 -6.151 -4.365 1.00 0.00 C ATOM 931 O GLN A 64 -2.943 -5.702 -3.876 1.00 0.00 O ATOM 932 CB GLN A 64 -6.135 -7.068 -3.484 1.00 0.00 C ATOM 933 CG GLN A 64 -6.982 -8.310 -3.257 1.00 0.00 C ATOM 934 CD GLN A 64 -8.297 -8.001 -2.569 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.312 -7.759 -3.224 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.287 -8.007 -1.241 1.00 0.00 N ATOM 0 H GLN A 64 -3.910 -7.062 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.598 -8.194 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.204 -6.425 -2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.545 -6.507 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.181 -8.789 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.420 -9.024 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.424 -8.213 -0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.143 -7.806 -0.724 1.00 0.00 H new ATOM 945 N ASP A 65 -4.569 -5.616 -5.429 1.00 0.00 N ATOM 946 CA ASP A 65 -4.019 -4.443 -6.098 1.00 0.00 C ATOM 947 C ASP A 65 -5.120 -3.648 -6.793 1.00 0.00 C ATOM 948 O ASP A 65 -5.989 -4.217 -7.452 1.00 0.00 O ATOM 949 CB ASP A 65 -2.955 -4.862 -7.115 1.00 0.00 C ATOM 950 CG ASP A 65 -3.557 -5.497 -8.353 1.00 0.00 C ATOM 951 OD1 ASP A 65 -3.830 -6.716 -8.321 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.754 -4.776 -9.353 1.00 0.00 O ATOM 0 H ASP A 65 -5.427 -5.976 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.558 -3.807 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.370 -3.989 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.266 -5.566 -6.647 1.00 0.00 H new ATOM 957 N VAL A 66 -5.076 -2.328 -6.640 1.00 0.00 N ATOM 958 CA VAL A 66 -6.069 -1.454 -7.252 1.00 0.00 C ATOM 959 C VAL A 66 -5.403 -0.336 -8.045 1.00 0.00 C ATOM 960 O VAL A 66 -4.424 0.260 -7.595 1.00 0.00 O ATOM 961 CB VAL A 66 -7.000 -0.834 -6.193 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.718 -1.923 -5.410 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.215 0.076 -5.261 1.00 0.00 C ATOM 0 H VAL A 66 -4.363 -1.841 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.661 -2.072 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.752 -0.231 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.371 -1.466 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.313 -2.529 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.984 -2.555 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.888 0.505 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.440 -0.501 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.753 0.877 -5.838 1.00 0.00 H new ATOM 973 N ASP A 67 -5.940 -0.055 -9.227 1.00 0.00 N ATOM 974 CA ASP A 67 -5.398 0.994 -10.083 1.00 0.00 C ATOM 975 C ASP A 67 -5.701 2.375 -9.509 1.00 0.00 C ATOM 976 O ASP A 67 -6.858 2.713 -9.255 1.00 0.00 O ATOM 977 CB ASP A 67 -5.974 0.878 -11.495 1.00 0.00 C ATOM 978 CG ASP A 67 -5.133 -0.009 -12.392 1.00 0.00 C ATOM 979 OD1 ASP A 67 -4.507 -0.956 -11.872 1.00 0.00 O ATOM 980 OD2 ASP A 67 -5.103 0.243 -13.615 1.00 0.00 O ATOM 0 H ASP A 67 -6.750 -0.539 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.316 0.868 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.986 0.478 -11.440 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.047 1.872 -11.937 1.00 0.00 H new ATOM 985 N VAL A 68 -4.654 3.168 -9.304 1.00 0.00 N ATOM 986 CA VAL A 68 -4.808 4.512 -8.760 1.00 0.00 C ATOM 987 C VAL A 68 -3.810 5.477 -9.389 1.00 0.00 C ATOM 988 O VAL A 68 -2.636 5.147 -9.562 1.00 0.00 O ATOM 989 CB VAL A 68 -4.623 4.522 -7.231 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.891 5.910 -6.670 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.528 3.490 -6.577 1.00 0.00 C ATOM 0 H VAL A 68 -3.690 2.903 -9.506 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.821 4.837 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.589 4.258 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.755 5.898 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.196 6.623 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.914 6.206 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.383 3.512 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.568 3.719 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.282 2.498 -6.956 1.00 0.00 H new ATOM 1001 N SER A 69 -4.283 6.672 -9.728 1.00 0.00 N ATOM 1002 CA SER A 69 -3.433 7.685 -10.341 1.00 0.00 C ATOM 1003 C SER A 69 -3.485 8.989 -9.550 1.00 0.00 C ATOM 1004 O SER A 69 -3.496 10.077 -10.126 1.00 0.00 O ATOM 1005 CB SER A 69 -3.864 7.936 -11.788 1.00 0.00 C ATOM 1006 OG SER A 69 -5.255 8.195 -11.868 1.00 0.00 O ATOM 0 H SER A 69 -5.251 6.962 -9.588 1.00 0.00 H new ATOM 0 HA SER A 69 -2.407 7.316 -10.334 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.309 8.782 -12.194 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.617 7.069 -12.400 1.00 0.00 H new ATOM 0 HG SER A 69 -5.505 8.354 -12.802 1.00 0.00 H new ATOM 1012 N SER A 70 -3.516 8.870 -8.227 1.00 0.00 N ATOM 1013 CA SER A 70 -3.571 10.037 -7.356 1.00 0.00 C ATOM 1014 C SER A 70 -2.740 9.814 -6.095 1.00 0.00 C ATOM 1015 O SER A 70 -2.287 8.701 -5.825 1.00 0.00 O ATOM 1016 CB SER A 70 -5.020 10.350 -6.976 1.00 0.00 C ATOM 1017 OG SER A 70 -5.694 9.184 -6.536 1.00 0.00 O ATOM 0 H SER A 70 -3.504 7.977 -7.735 1.00 0.00 H new ATOM 0 HA SER A 70 -3.155 10.885 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.038 11.104 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.541 10.773 -7.835 1.00 0.00 H new ATOM 0 HG SER A 70 -5.971 9.299 -5.603 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.545 10.881 -5.327 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.769 10.802 -4.094 1.00 0.00 C ATOM 1025 C HIS A 71 -2.684 10.610 -2.888 1.00 0.00 C ATOM 1026 O HIS A 71 -2.323 10.953 -1.762 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.928 12.067 -3.914 1.00 0.00 C ATOM 1028 CG HIS A 71 0.027 12.316 -5.040 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.127 13.529 -5.689 1.00 0.00 N ATOM 1030 CD2 HIS A 71 0.930 11.499 -5.632 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.048 13.447 -6.632 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.552 12.226 -6.618 1.00 0.00 N ATOM 0 H HIS A 71 -2.913 11.809 -5.536 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.105 9.940 -4.166 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.593 12.925 -3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.367 11.991 -2.983 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.424 14.360 -5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.125 10.468 -5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.340 14.243 -7.301 1.00 0.00 H new ATOM 1041 N SER A 72 -3.869 10.061 -3.132 1.00 0.00 N ATOM 1042 CA SER A 72 -4.837 9.827 -2.067 1.00 0.00 C ATOM 1043 C SER A 72 -5.993 8.964 -2.563 1.00 0.00 C ATOM 1044 O SER A 72 -6.703 9.335 -3.499 1.00 0.00 O ATOM 1045 CB SER A 72 -5.372 11.158 -1.534 1.00 0.00 C ATOM 1046 OG SER A 72 -6.275 11.749 -2.452 1.00 0.00 O ATOM 0 H SER A 72 -4.182 9.770 -4.058 1.00 0.00 H new ATOM 0 HA SER A 72 -4.331 9.297 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.873 10.996 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.541 11.839 -1.347 1.00 0.00 H new ATOM 0 HG SER A 72 -6.520 11.093 -3.138 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.177 7.811 -1.930 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.244 6.893 -2.307 1.00 0.00 C ATOM 1054 C TYR A 73 -7.967 6.360 -1.073 1.00 0.00 C ATOM 1055 O TYR A 73 -7.358 6.150 -0.024 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.680 5.728 -3.123 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.740 4.794 -3.659 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.211 3.734 -2.894 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.271 4.970 -4.931 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.180 2.877 -3.380 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.241 4.119 -5.424 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.692 3.074 -4.645 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.657 2.223 -5.133 1.00 0.00 O ATOM 0 H TYR A 73 -5.600 7.490 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.961 7.442 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.103 6.126 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.989 5.160 -2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.813 3.577 -1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.919 5.786 -5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.534 2.057 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.644 4.271 -6.414 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.911 2.501 -6.038 1.00 0.00 H new ATOM 1073 N THR A 74 -9.272 6.144 -1.207 1.00 0.00 N ATOM 1074 CA THR A 74 -10.079 5.637 -0.105 1.00 0.00 C ATOM 1075 C THR A 74 -10.641 4.256 -0.425 1.00 0.00 C ATOM 1076 O THR A 74 -11.299 4.066 -1.449 1.00 0.00 O ATOM 1077 CB THR A 74 -11.244 6.590 0.222 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.748 7.917 0.431 1.00 0.00 O ATOM 1079 CG2 THR A 74 -11.994 6.123 1.461 1.00 0.00 C ATOM 0 H THR A 74 -9.792 6.312 -2.068 1.00 0.00 H new ATOM 0 HA THR A 74 -9.422 5.567 0.762 1.00 0.00 H new ATOM 0 HB THR A 74 -11.933 6.589 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.495 8.517 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.812 6.812 1.672 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.396 5.124 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.312 6.098 2.311 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.380 3.297 0.456 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.862 1.935 0.268 1.00 0.00 C ATOM 1089 C ILE A 75 -12.058 1.645 1.168 1.00 0.00 C ATOM 1090 O ILE A 75 -11.912 1.488 2.379 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.756 0.902 0.555 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.639 1.016 -0.485 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.335 -0.505 0.566 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.405 0.214 -0.136 1.00 0.00 C ATOM 0 H ILE A 75 -9.837 3.438 1.308 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.167 1.850 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.334 1.108 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.018 0.683 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.362 2.064 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.541 -1.224 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.099 -0.578 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.781 -0.723 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.655 0.342 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.002 0.562 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.668 -0.841 -0.054 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.241 1.575 0.566 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.464 1.303 1.313 1.00 0.00 C ATOM 1108 C ASN A 76 -14.794 -0.186 1.291 1.00 0.00 C ATOM 1109 O ASN A 76 -14.071 -0.985 0.698 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.630 2.104 0.732 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.434 3.601 0.878 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -16.012 4.230 1.764 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.614 4.178 0.007 1.00 0.00 N ATOM 0 H ASN A 76 -13.379 1.703 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.304 1.607 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.747 1.857 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.553 1.811 1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.442 5.182 0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.156 3.617 -0.711 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.894 -0.553 1.943 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.302 -1.945 1.986 1.00 0.00 C ATOM 1122 C GLY A 77 -15.380 -2.793 2.840 1.00 0.00 C ATOM 1123 O GLY A 77 -14.886 -3.829 2.392 1.00 0.00 O ATOM 0 H GLY A 77 -16.509 0.089 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.317 -2.011 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.324 -2.345 0.972 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.145 -2.353 4.071 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.274 -3.079 4.989 1.00 0.00 C ATOM 1129 C LEU A 78 -14.981 -3.347 6.313 1.00 0.00 C ATOM 1130 O LEU A 78 -16.009 -2.740 6.615 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.988 -2.287 5.236 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.264 -1.777 3.990 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.052 -0.945 4.380 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.850 -2.941 3.100 1.00 0.00 C ATOM 0 H LEU A 78 -15.545 -1.498 4.457 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.023 -4.036 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.227 -1.432 5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.300 -2.917 5.799 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.950 -1.142 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.549 -0.591 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.373 -0.091 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.363 -1.556 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.336 -2.560 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.181 -3.601 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.736 -3.496 2.792 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.424 -4.260 7.102 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.998 -4.607 8.396 1.00 0.00 C ATOM 1148 C LYS A 79 -14.744 -3.504 9.418 1.00 0.00 C ATOM 1149 O LYS A 79 -13.961 -2.586 9.174 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.412 -5.928 8.900 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.918 -7.145 8.145 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.200 -7.686 8.756 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.916 -8.562 9.966 1.00 0.00 C ATOM 1154 NZ LYS A 79 -15.629 -9.970 9.575 1.00 0.00 N ATOM 0 H LYS A 79 -13.574 -4.773 6.867 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.075 -4.719 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.326 -5.888 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.651 -6.042 9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.094 -6.880 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.154 -7.922 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.843 -6.856 9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.745 -8.262 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.067 -8.157 10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.772 -8.539 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.441 -10.535 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.449 -10.365 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.796 -9.995 8.952 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.411 -3.600 10.564 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.256 -2.612 11.625 1.00 0.00 C ATOM 1170 C LYS A 80 -14.312 -3.121 12.709 1.00 0.00 C ATOM 1171 O LYS A 80 -14.477 -4.230 13.219 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.617 -2.273 12.237 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.654 -1.845 11.213 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.472 -3.027 10.720 1.00 0.00 C ATOM 1175 CE LYS A 80 -18.983 -2.799 9.306 1.00 0.00 C ATOM 1176 NZ LYS A 80 -19.963 -3.843 8.895 1.00 0.00 N ATOM 0 H LYS A 80 -16.064 -4.353 10.781 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.826 -1.711 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.990 -3.143 12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.489 -1.474 12.968 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.317 -1.101 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.157 -1.368 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.862 -3.930 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.315 -3.193 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.451 -1.817 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.142 -2.797 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.287 -3.652 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.509 -4.778 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.777 -3.829 9.542 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.323 -2.305 13.057 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.352 -2.674 14.081 1.00 0.00 C ATOM 1192 C TYR A 81 -11.424 -3.776 13.579 1.00 0.00 C ATOM 1193 O TYR A 81 -10.861 -4.538 14.366 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.069 -3.135 15.351 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.178 -3.162 16.572 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.631 -1.993 17.084 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.886 -4.359 17.216 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.816 -2.013 18.199 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.073 -4.389 18.333 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.540 -3.214 18.820 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.730 -3.238 19.932 1.00 0.00 O ATOM 0 H TYR A 81 -13.172 -1.384 12.645 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.751 -1.794 14.310 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.914 -2.473 15.542 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.477 -4.132 15.187 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.847 -1.051 16.602 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.302 -5.281 16.837 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.397 -1.094 18.582 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.856 -5.327 18.822 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.637 -4.161 20.249 1.00 0.00 H new ATOM 1211 N THR A 82 -11.267 -3.854 12.261 1.00 0.00 N ATOM 1212 CA THR A 82 -10.408 -4.861 11.652 1.00 0.00 C ATOM 1213 C THR A 82 -9.141 -4.233 11.083 1.00 0.00 C ATOM 1214 O THR A 82 -9.168 -3.112 10.575 1.00 0.00 O ATOM 1215 CB THR A 82 -11.140 -5.619 10.528 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.232 -6.368 11.074 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.190 -6.557 9.799 1.00 0.00 C ATOM 0 H THR A 82 -11.724 -3.231 11.595 1.00 0.00 H new ATOM 0 HA THR A 82 -10.139 -5.564 12.440 1.00 0.00 H new ATOM 0 HB THR A 82 -11.521 -4.888 9.815 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.490 -7.075 10.447 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.730 -7.081 9.010 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.375 -5.981 9.360 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.783 -7.282 10.503 1.00 0.00 H new ATOM 1225 N GLU A 83 -8.033 -4.962 11.172 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.756 -4.474 10.665 1.00 0.00 C ATOM 1227 C GLU A 83 -6.628 -4.737 9.167 1.00 0.00 C ATOM 1228 O GLU A 83 -7.201 -5.692 8.643 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.598 -5.139 11.411 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.356 -4.269 11.508 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.499 -4.608 12.712 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.775 -4.071 13.806 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.553 -5.408 12.562 1.00 0.00 O ATOM 0 H GLU A 83 -7.994 -5.892 11.590 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.716 -3.398 10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.927 -5.401 12.417 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.340 -6.071 10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.763 -4.386 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.654 -3.222 11.562 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.873 -3.883 8.485 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.672 -4.020 7.047 1.00 0.00 C ATOM 1242 C TYR A 84 -4.315 -3.462 6.631 1.00 0.00 C ATOM 1243 O TYR A 84 -3.975 -2.323 6.951 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.787 -3.302 6.284 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.139 -3.965 6.421 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.456 -5.099 5.684 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.099 -3.457 7.288 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.691 -5.707 5.805 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.335 -4.060 7.417 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.626 -5.184 6.673 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.857 -5.788 6.798 1.00 0.00 O ATOM 0 H TYR A 84 -5.390 -3.089 8.905 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.699 -5.082 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.858 -2.275 6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.521 -3.254 5.228 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.725 -5.512 5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.875 -2.576 7.871 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.923 -6.587 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.069 -3.653 8.097 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.739 -6.712 7.103 1.00 0.00 H new ATOM 1261 N SER A 85 -3.543 -4.274 5.916 1.00 0.00 N ATOM 1262 CA SER A 85 -2.221 -3.864 5.457 1.00 0.00 C ATOM 1263 C SER A 85 -2.320 -3.045 4.174 1.00 0.00 C ATOM 1264 O SER A 85 -3.244 -3.222 3.381 1.00 0.00 O ATOM 1265 CB SER A 85 -1.336 -5.090 5.226 1.00 0.00 C ATOM 1266 OG SER A 85 0.038 -4.751 5.309 1.00 0.00 O ATOM 0 H SER A 85 -3.810 -5.220 5.642 1.00 0.00 H new ATOM 0 HA SER A 85 -1.772 -3.241 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.570 -5.856 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.550 -5.517 4.246 1.00 0.00 H new ATOM 0 HG SER A 85 0.206 -4.271 6.146 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.361 -2.146 3.978 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.339 -1.297 2.792 1.00 0.00 C ATOM 1274 C PHE A 86 0.094 -1.027 2.343 1.00 0.00 C ATOM 1275 O PHE A 86 0.981 -0.801 3.166 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.056 0.025 3.073 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.506 -0.142 3.428 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.446 -0.413 2.447 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.928 -0.030 4.743 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.781 -0.567 2.772 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.261 -0.183 5.074 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.189 -0.453 4.087 1.00 0.00 C ATOM 0 H PHE A 86 -0.589 -1.986 4.625 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.859 -1.821 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.547 0.538 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.977 0.666 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.133 -0.505 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.206 0.179 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.505 -0.776 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.577 -0.092 6.103 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.231 -0.575 4.343 1.00 0.00 H new ATOM 1292 N ARG A 87 0.311 -1.052 1.032 1.00 0.00 N ATOM 1293 CA ARG A 87 1.635 -0.812 0.473 1.00 0.00 C ATOM 1294 C ARG A 87 1.534 -0.190 -0.917 1.00 0.00 C ATOM 1295 O ARG A 87 0.701 -0.593 -1.730 1.00 0.00 O ATOM 1296 CB ARG A 87 2.427 -2.119 0.402 1.00 0.00 C ATOM 1297 CG ARG A 87 1.810 -3.155 -0.523 1.00 0.00 C ATOM 1298 CD ARG A 87 2.774 -4.298 -0.801 1.00 0.00 C ATOM 1299 NE ARG A 87 2.681 -5.351 0.207 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.606 -6.288 0.380 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.690 -6.302 -0.384 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.450 -7.212 1.319 1.00 0.00 N ATOM 0 H ARG A 87 -0.413 -1.236 0.338 1.00 0.00 H new ATOM 0 HA ARG A 87 2.157 -0.114 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.441 -1.902 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.507 -2.541 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.898 -3.548 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.525 -2.682 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.564 -4.718 -1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.793 -3.913 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 87 1.860 -5.368 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.814 -5.592 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.399 -7.022 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.618 -7.204 1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.162 -7.931 1.450 1.00 0.00 H new ATOM 1316 N VAL A 88 2.387 0.795 -1.183 1.00 0.00 N ATOM 1317 CA VAL A 88 2.393 1.472 -2.474 1.00 0.00 C ATOM 1318 C VAL A 88 3.545 0.982 -3.346 1.00 0.00 C ATOM 1319 O VAL A 88 4.639 0.710 -2.852 1.00 0.00 O ATOM 1320 CB VAL A 88 2.505 2.999 -2.307 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.595 3.680 -3.663 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.326 3.534 -1.509 1.00 0.00 C ATOM 0 H VAL A 88 3.082 1.141 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 88 1.446 1.235 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 88 3.419 3.221 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.673 4.758 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.475 3.318 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.701 3.453 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.421 4.614 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.398 3.302 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.313 3.070 -0.523 1.00 0.00 H new ATOM 1332 N VAL A 89 3.290 0.872 -4.646 1.00 0.00 N ATOM 1333 CA VAL A 89 4.306 0.417 -5.588 1.00 0.00 C ATOM 1334 C VAL A 89 4.275 1.241 -6.870 1.00 0.00 C ATOM 1335 O VAL A 89 3.209 1.518 -7.417 1.00 0.00 O ATOM 1336 CB VAL A 89 4.116 -1.070 -5.942 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.164 -1.518 -6.949 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.170 -1.928 -4.687 1.00 0.00 C ATOM 0 H VAL A 89 2.389 1.092 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 89 5.272 0.547 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 89 3.133 -1.194 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.013 -2.571 -7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.072 -0.924 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.159 -1.380 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.034 -2.975 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.137 -1.801 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.378 -1.623 -4.003 1.00 0.00 H new ATOM 1348 N ALA A 90 5.454 1.630 -7.344 1.00 0.00 N ATOM 1349 CA ALA A 90 5.564 2.421 -8.564 1.00 0.00 C ATOM 1350 C ALA A 90 5.711 1.524 -9.788 1.00 0.00 C ATOM 1351 O ALA A 90 6.619 0.696 -9.858 1.00 0.00 O ATOM 1352 CB ALA A 90 6.740 3.381 -8.466 1.00 0.00 C ATOM 0 H ALA A 90 6.347 1.410 -6.902 1.00 0.00 H new ATOM 0 HA ALA A 90 4.647 2.998 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.810 3.965 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.593 4.052 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.661 2.815 -8.325 1.00 0.00 H new ATOM 1358 N TYR A 91 4.812 1.694 -10.751 1.00 0.00 N ATOM 1359 CA TYR A 91 4.840 0.897 -11.972 1.00 0.00 C ATOM 1360 C TYR A 91 5.150 1.769 -13.185 1.00 0.00 C ATOM 1361 O TYR A 91 4.352 2.621 -13.571 1.00 0.00 O ATOM 1362 CB TYR A 91 3.501 0.185 -12.172 1.00 0.00 C ATOM 1363 CG TYR A 91 3.388 -1.117 -11.411 1.00 0.00 C ATOM 1364 CD1 TYR A 91 2.892 -1.146 -10.114 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.778 -2.319 -11.990 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.788 -2.333 -9.415 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.676 -3.511 -11.299 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.181 -3.512 -10.012 1.00 0.00 C ATOM 1369 OH TYR A 91 3.078 -4.697 -9.320 1.00 0.00 O ATOM 0 H TYR A 91 4.055 2.376 -10.710 1.00 0.00 H new ATOM 0 HA TYR A 91 5.629 0.152 -11.871 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.695 0.850 -11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.359 -0.011 -13.235 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.582 -0.224 -9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.167 -2.321 -12.997 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.401 -2.337 -8.407 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.982 -4.436 -11.764 1.00 0.00 H new ATOM 0 HH TYR A 91 2.483 -4.576 -8.551 1.00 0.00 H new ATOM 1379 N ASN A 92 6.318 1.548 -13.781 1.00 0.00 N ATOM 1380 CA ASN A 92 6.736 2.313 -14.950 1.00 0.00 C ATOM 1381 C ASN A 92 7.092 1.386 -16.108 1.00 0.00 C ATOM 1382 O ASN A 92 7.157 0.167 -15.945 1.00 0.00 O ATOM 1383 CB ASN A 92 7.935 3.199 -14.604 1.00 0.00 C ATOM 1384 CG ASN A 92 9.150 2.391 -14.192 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.051 1.194 -13.921 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.305 3.044 -14.143 1.00 0.00 N ATOM 0 H ASN A 92 6.991 0.846 -13.474 1.00 0.00 H new ATOM 0 HA ASN A 92 5.902 2.945 -15.257 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.188 3.817 -15.466 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.661 3.877 -13.795 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.157 2.553 -13.872 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.340 4.036 -14.376 1.00 0.00 H new ATOM 1393 N LYS A 93 7.321 1.971 -17.279 1.00 0.00 N ATOM 1394 CA LYS A 93 7.673 1.200 -18.465 1.00 0.00 C ATOM 1395 C LYS A 93 8.707 0.130 -18.131 1.00 0.00 C ATOM 1396 O LYS A 93 8.604 -1.011 -18.584 1.00 0.00 O ATOM 1397 CB LYS A 93 8.214 2.124 -19.558 1.00 0.00 C ATOM 1398 CG LYS A 93 9.433 2.923 -19.130 1.00 0.00 C ATOM 1399 CD LYS A 93 10.080 3.627 -20.311 1.00 0.00 C ATOM 1400 CE LYS A 93 10.791 4.901 -19.879 1.00 0.00 C ATOM 1401 NZ LYS A 93 9.861 6.063 -19.825 1.00 0.00 N ATOM 0 H LYS A 93 7.269 2.978 -17.432 1.00 0.00 H new ATOM 0 HA LYS A 93 6.771 0.708 -18.828 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.470 1.527 -20.433 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.426 2.813 -19.862 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.142 3.659 -18.381 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.158 2.259 -18.659 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.793 2.956 -20.790 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.319 3.867 -21.054 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.242 4.751 -18.898 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.603 5.117 -20.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.383 6.912 -19.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.450 6.223 -20.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.100 5.867 -19.144 1.00 0.00 H new ATOM 1415 N HIS A 94 9.704 0.504 -17.335 1.00 0.00 N ATOM 1416 CA HIS A 94 10.756 -0.425 -16.939 1.00 0.00 C ATOM 1417 C HIS A 94 10.175 -1.611 -16.175 1.00 0.00 C ATOM 1418 O HIS A 94 10.167 -2.737 -16.670 1.00 0.00 O ATOM 1419 CB HIS A 94 11.799 0.289 -16.078 1.00 0.00 C ATOM 1420 CG HIS A 94 12.537 1.371 -16.805 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.408 1.119 -17.845 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.529 2.714 -16.639 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.905 2.261 -18.285 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.387 3.244 -17.571 1.00 0.00 N ATOM 0 H HIS A 94 9.805 1.444 -16.952 1.00 0.00 H new ATOM 0 HA HIS A 94 11.236 -0.798 -17.844 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.306 0.719 -15.207 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.516 -0.444 -15.709 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.633 0.196 -18.216 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.955 3.266 -15.910 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.614 2.372 -19.092 1.00 0.00 H new ATOM 1433 N GLY A 95 9.689 -1.349 -14.965 1.00 0.00 N ATOM 1434 CA GLY A 95 9.113 -2.405 -14.153 1.00 0.00 C ATOM 1435 C GLY A 95 8.852 -1.961 -12.727 1.00 0.00 C ATOM 1436 O GLY A 95 9.234 -0.866 -12.314 1.00 0.00 O ATOM 0 H GLY A 95 9.684 -0.425 -14.533 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.178 -2.737 -14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.786 -3.262 -14.146 1.00 0.00 H new ATOM 1440 N PRO A 96 8.184 -2.825 -11.948 1.00 0.00 N ATOM 1441 CA PRO A 96 7.856 -2.538 -10.548 1.00 0.00 C ATOM 1442 C PRO A 96 9.090 -2.533 -9.652 1.00 0.00 C ATOM 1443 O PRO A 96 9.639 -3.586 -9.329 1.00 0.00 O ATOM 1444 CB PRO A 96 6.919 -3.685 -10.161 1.00 0.00 C ATOM 1445 CG PRO A 96 7.282 -4.798 -11.082 1.00 0.00 C ATOM 1446 CD PRO A 96 7.698 -4.149 -12.373 1.00 0.00 C ATOM 0 HA PRO A 96 7.414 -1.549 -10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.056 -3.973 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.874 -3.399 -10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.092 -5.398 -10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.436 -5.468 -11.237 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.477 -4.720 -12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.863 -4.066 -13.069 1.00 0.00 H new ATOM 1454 N GLY A 97 9.522 -1.340 -9.254 1.00 0.00 N ATOM 1455 CA GLY A 97 10.688 -1.221 -8.399 1.00 0.00 C ATOM 1456 C GLY A 97 10.396 -1.608 -6.962 1.00 0.00 C ATOM 1457 O GLY A 97 9.355 -2.195 -6.669 1.00 0.00 O ATOM 0 H GLY A 97 9.085 -0.454 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.486 -1.854 -8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.053 -0.194 -8.428 1.00 0.00 H new ATOM 1461 N VAL A 98 11.319 -1.279 -6.063 1.00 0.00 N ATOM 1462 CA VAL A 98 11.155 -1.596 -4.650 1.00 0.00 C ATOM 1463 C VAL A 98 9.722 -1.350 -4.193 1.00 0.00 C ATOM 1464 O VAL A 98 8.970 -0.621 -4.840 1.00 0.00 O ATOM 1465 CB VAL A 98 12.111 -0.764 -3.774 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.552 -0.962 -4.220 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.728 0.707 -3.817 1.00 0.00 C ATOM 0 H VAL A 98 12.187 -0.793 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 98 11.393 -2.653 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 98 12.024 -1.108 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.213 -0.367 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.819 -2.015 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.658 -0.646 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.414 1.280 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.785 1.068 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.711 0.829 -3.445 1.00 0.00 H new ATOM 1477 N SER A 99 9.349 -1.962 -3.074 1.00 0.00 N ATOM 1478 CA SER A 99 8.004 -1.812 -2.532 1.00 0.00 C ATOM 1479 C SER A 99 8.049 -1.251 -1.114 1.00 0.00 C ATOM 1480 O SER A 99 8.834 -1.702 -0.279 1.00 0.00 O ATOM 1481 CB SER A 99 7.276 -3.158 -2.537 1.00 0.00 C ATOM 1482 OG SER A 99 6.103 -3.106 -1.744 1.00 0.00 O ATOM 0 H SER A 99 9.960 -2.567 -2.525 1.00 0.00 H new ATOM 0 HA SER A 99 7.460 -1.110 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.016 -3.430 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.940 -3.936 -2.159 1.00 0.00 H new ATOM 0 HG SER A 99 6.010 -3.943 -1.243 1.00 0.00 H new ATOM 1488 N THR A 100 7.201 -0.262 -0.848 1.00 0.00 N ATOM 1489 CA THR A 100 7.143 0.363 0.467 1.00 0.00 C ATOM 1490 C THR A 100 6.793 -0.656 1.545 1.00 0.00 C ATOM 1491 O THR A 100 6.258 -1.730 1.268 1.00 0.00 O ATOM 1492 CB THR A 100 6.111 1.505 0.501 1.00 0.00 C ATOM 1493 OG1 THR A 100 5.044 1.229 -0.414 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.761 2.834 0.145 1.00 0.00 C ATOM 0 H THR A 100 6.545 0.123 -1.527 1.00 0.00 H new ATOM 0 HA THR A 100 8.133 0.773 0.666 1.00 0.00 H new ATOM 0 HB THR A 100 5.712 1.574 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.326 1.459 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.012 3.625 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.552 3.055 0.861 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.185 2.775 -0.857 1.00 0.00 H new ATOM 1502 N PRO A 101 7.101 -0.314 2.805 1.00 0.00 N ATOM 1503 CA PRO A 101 6.826 -1.186 3.951 1.00 0.00 C ATOM 1504 C PRO A 101 5.334 -1.307 4.244 1.00 0.00 C ATOM 1505 O PRO A 101 4.601 -0.319 4.195 1.00 0.00 O ATOM 1506 CB PRO A 101 7.543 -0.487 5.109 1.00 0.00 C ATOM 1507 CG PRO A 101 7.605 0.946 4.706 1.00 0.00 C ATOM 1508 CD PRO A 101 7.739 0.950 3.209 1.00 0.00 C ATOM 0 HA PRO A 101 7.165 -2.207 3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.998 -0.612 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.541 -0.898 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.707 1.478 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.452 1.447 5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.241 1.811 2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.783 0.990 2.899 1.00 0.00 H new ATOM 1516 N ASP A 102 4.892 -2.522 4.548 1.00 0.00 N ATOM 1517 CA ASP A 102 3.487 -2.770 4.850 1.00 0.00 C ATOM 1518 C ASP A 102 2.967 -1.772 5.879 1.00 0.00 C ATOM 1519 O ASP A 102 3.657 -1.444 6.845 1.00 0.00 O ATOM 1520 CB ASP A 102 3.299 -4.198 5.366 1.00 0.00 C ATOM 1521 CG ASP A 102 4.353 -4.589 6.383 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.541 -4.664 6.007 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.989 -4.821 7.556 1.00 0.00 O ATOM 0 H ASP A 102 5.486 -3.350 4.592 1.00 0.00 H new ATOM 0 HA ASP A 102 2.916 -2.646 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.311 -4.291 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.333 -4.892 4.526 1.00 0.00 H new ATOM 1528 N VAL A 103 1.747 -1.290 5.665 1.00 0.00 N ATOM 1529 CA VAL A 103 1.134 -0.328 6.574 1.00 0.00 C ATOM 1530 C VAL A 103 -0.185 -0.857 7.126 1.00 0.00 C ATOM 1531 O VAL A 103 -1.250 -0.603 6.565 1.00 0.00 O ATOM 1532 CB VAL A 103 0.882 1.022 5.877 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.162 1.980 6.812 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.193 1.623 5.391 1.00 0.00 C ATOM 0 H VAL A 103 1.163 -1.550 4.870 1.00 0.00 H new ATOM 0 HA VAL A 103 1.835 -0.178 7.396 1.00 0.00 H new ATOM 0 HB VAL A 103 0.244 0.850 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.007 2.928 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.796 1.550 7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.772 2.149 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.997 2.577 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.858 1.782 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.665 0.942 4.683 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.106 -1.593 8.230 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.294 -2.155 8.860 1.00 0.00 C ATOM 1546 C ALA A 104 -1.989 -1.123 9.741 1.00 0.00 C ATOM 1547 O ALA A 104 -1.340 -0.399 10.496 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.927 -3.386 9.674 1.00 0.00 C ATOM 0 H ALA A 104 0.768 -1.814 8.706 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.989 -2.448 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.824 -3.795 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.483 -4.136 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.211 -3.110 10.448 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.313 -1.060 9.640 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.096 -0.117 10.428 1.00 0.00 C ATOM 1556 C VAL A 105 -5.473 -0.684 10.756 1.00 0.00 C ATOM 1557 O VAL A 105 -6.120 -1.299 9.909 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.268 1.224 9.690 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.256 1.079 8.542 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.718 2.310 10.656 1.00 0.00 C ATOM 0 H VAL A 105 -3.866 -1.652 9.020 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.547 0.054 11.354 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.304 1.516 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.365 2.036 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.888 0.333 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.224 0.764 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.834 3.251 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.671 2.027 11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.971 2.431 11.441 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.914 -0.473 11.992 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.214 -0.965 12.433 1.00 0.00 C ATOM 1572 C ARG A 106 -8.301 0.079 12.189 1.00 0.00 C ATOM 1573 O ARG A 106 -8.102 1.269 12.435 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.168 -1.331 13.917 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.270 -2.287 14.343 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.368 -2.386 15.858 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.223 -3.084 16.436 1.00 0.00 N ATOM 1578 CZ ARG A 106 -7.065 -4.402 16.386 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.973 -5.160 15.788 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.996 -4.964 16.936 1.00 0.00 N ATOM 0 H ARG A 106 -5.391 0.035 12.705 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.453 -1.857 11.853 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.201 -1.781 14.142 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.240 -0.419 14.510 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.223 -1.949 13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.078 -3.275 13.925 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.434 -1.385 16.283 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.285 -2.909 16.129 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.506 -2.530 16.903 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.796 -4.732 15.364 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.849 -6.172 15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.295 -4.384 17.397 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.875 -5.976 16.897 1.00 0.00 H new ATOM 1594 N THR A 107 -9.452 -0.376 11.702 1.00 0.00 N ATOM 1595 CA THR A 107 -10.569 0.517 11.423 1.00 0.00 C ATOM 1596 C THR A 107 -11.315 0.881 12.702 1.00 0.00 C ATOM 1597 O THR A 107 -11.122 0.255 13.745 1.00 0.00 O ATOM 1598 CB THR A 107 -11.559 -0.116 10.427 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.834 -1.470 10.804 1.00 0.00 O ATOM 1600 CG2 THR A 107 -11.001 -0.081 9.013 1.00 0.00 C ATOM 0 H THR A 107 -9.634 -1.358 11.493 1.00 0.00 H new ATOM 0 HA THR A 107 -10.149 1.421 10.981 1.00 0.00 H new ATOM 0 HB THR A 107 -12.483 0.462 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.544 -1.831 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.718 -0.533 8.328 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.820 0.953 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.064 -0.637 8.978 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.167 1.896 12.615 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.944 2.343 13.767 1.00 0.00 C ATOM 1610 C LEU A 108 -13.980 1.297 14.164 1.00 0.00 C ATOM 1611 O LEU A 108 -14.523 0.592 13.313 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.636 3.671 13.455 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.742 4.780 12.899 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.564 6.019 12.581 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.631 5.113 13.884 1.00 0.00 C ATOM 0 H LEU A 108 -12.338 2.425 11.760 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.260 2.485 14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.435 3.482 12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.107 4.035 14.368 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.287 4.424 11.975 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.911 6.797 12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.323 5.771 11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.048 6.377 13.489 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.004 5.904 13.472 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.067 5.449 14.825 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.024 4.225 14.062 1.00 0.00 H new ATOM 1627 N SER A 109 -14.252 1.204 15.462 1.00 0.00 N ATOM 1628 CA SER A 109 -15.223 0.243 15.972 1.00 0.00 C ATOM 1629 C SER A 109 -16.581 0.904 16.187 1.00 0.00 C ATOM 1630 O SER A 109 -16.699 1.876 16.934 1.00 0.00 O ATOM 1631 CB SER A 109 -14.727 -0.367 17.284 1.00 0.00 C ATOM 1632 OG SER A 109 -15.757 -1.094 17.931 1.00 0.00 O ATOM 0 H SER A 109 -13.814 1.782 16.179 1.00 0.00 H new ATOM 0 HA SER A 109 -15.337 -0.548 15.231 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.882 -1.026 17.085 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.367 0.423 17.943 1.00 0.00 H new ATOM 0 HG SER A 109 -15.414 -1.475 18.766 1.00 0.00 H new ATOM 1638 N ASP A 110 -17.603 0.371 15.527 1.00 0.00 N ATOM 1639 CA ASP A 110 -18.954 0.908 15.646 1.00 0.00 C ATOM 1640 C ASP A 110 -19.532 0.623 17.029 1.00 0.00 C ATOM 1641 O ASP A 110 -20.321 1.407 17.556 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.859 0.311 14.568 1.00 0.00 C ATOM 1643 CG ASP A 110 -21.328 0.389 14.937 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -21.839 1.517 15.101 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -21.966 -0.677 15.061 1.00 0.00 O ATOM 0 H ASP A 110 -17.522 -0.433 14.904 1.00 0.00 H new ATOM 0 HA ASP A 110 -18.903 1.988 15.509 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -19.695 0.837 13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -19.584 -0.731 14.402 1.00 0.00 H new ATOM 1650 N SER A 111 -19.134 -0.504 17.610 1.00 0.00 N ATOM 1651 CA SER A 111 -19.617 -0.895 18.930 1.00 0.00 C ATOM 1652 C SER A 111 -19.602 0.292 19.888 1.00 0.00 C ATOM 1653 O SER A 111 -20.617 0.626 20.497 1.00 0.00 O ATOM 1654 CB SER A 111 -18.760 -2.031 19.493 1.00 0.00 C ATOM 1655 OG SER A 111 -19.276 -2.493 20.729 1.00 0.00 O ATOM 0 H SER A 111 -18.479 -1.162 17.188 1.00 0.00 H new ATOM 0 HA SER A 111 -20.645 -1.242 18.826 1.00 0.00 H new ATOM 0 HB2 SER A 111 -18.726 -2.854 18.779 1.00 0.00 H new ATOM 0 HB3 SER A 111 -17.735 -1.685 19.629 1.00 0.00 H new ATOM 0 HG SER A 111 -18.712 -3.220 21.068 1.00 0.00 H new ATOM 1661 N GLY A 112 -18.440 0.927 20.015 1.00 0.00 N ATOM 1662 CA GLY A 112 -18.313 2.070 20.900 1.00 0.00 C ATOM 1663 C GLY A 112 -16.884 2.565 21.006 1.00 0.00 C ATOM 1664 O GLY A 112 -15.950 1.944 20.498 1.00 0.00 O ATOM 0 H GLY A 112 -17.585 0.670 19.521 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -18.948 2.878 20.538 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -18.675 1.800 21.892 1.00 0.00 H new ATOM 1668 N PRO A 113 -16.699 3.710 21.679 1.00 0.00 N ATOM 1669 CA PRO A 113 -15.376 4.314 21.865 1.00 0.00 C ATOM 1670 C PRO A 113 -14.496 3.503 22.810 1.00 0.00 C ATOM 1671 O PRO A 113 -13.370 3.895 23.115 1.00 0.00 O ATOM 1672 CB PRO A 113 -15.693 5.683 22.473 1.00 0.00 C ATOM 1673 CG PRO A 113 -17.011 5.503 23.144 1.00 0.00 C ATOM 1674 CD PRO A 113 -17.766 4.504 22.311 1.00 0.00 C ATOM 0 HA PRO A 113 -14.817 4.366 20.931 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -14.925 5.988 23.184 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.742 6.455 21.706 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.883 5.143 24.165 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.551 6.448 23.204 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -18.420 3.883 22.923 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -18.396 4.994 21.568 1.00 0.00 H new ATOM 1682 N SER A 114 -15.016 2.369 23.268 1.00 0.00 N ATOM 1683 CA SER A 114 -14.278 1.503 24.181 1.00 0.00 C ATOM 1684 C SER A 114 -12.785 1.529 23.866 1.00 0.00 C ATOM 1685 O SER A 114 -12.341 0.975 22.861 1.00 0.00 O ATOM 1686 CB SER A 114 -14.804 0.069 24.095 1.00 0.00 C ATOM 1687 OG SER A 114 -16.172 0.005 24.457 1.00 0.00 O ATOM 0 H SER A 114 -15.945 2.028 23.022 1.00 0.00 H new ATOM 0 HA SER A 114 -14.425 1.876 25.195 1.00 0.00 H new ATOM 0 HB2 SER A 114 -14.675 -0.309 23.081 1.00 0.00 H new ATOM 0 HB3 SER A 114 -14.220 -0.576 24.752 1.00 0.00 H new ATOM 0 HG SER A 114 -16.485 -0.922 24.392 1.00 0.00 H new ATOM 1693 N SER A 115 -12.015 2.178 24.734 1.00 0.00 N ATOM 1694 CA SER A 115 -10.573 2.281 24.549 1.00 0.00 C ATOM 1695 C SER A 115 -9.930 0.897 24.511 1.00 0.00 C ATOM 1696 O SER A 115 -10.285 0.014 25.290 1.00 0.00 O ATOM 1697 CB SER A 115 -9.951 3.114 25.670 1.00 0.00 C ATOM 1698 OG SER A 115 -8.725 3.693 25.256 1.00 0.00 O ATOM 0 H SER A 115 -12.366 2.640 25.572 1.00 0.00 H new ATOM 0 HA SER A 115 -10.389 2.775 23.595 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.644 3.899 25.971 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.783 2.485 26.544 1.00 0.00 H new ATOM 0 HG SER A 115 -8.349 4.222 25.990 1.00 0.00 H new ATOM 1704 N GLY A 116 -8.980 0.717 23.598 1.00 0.00 N ATOM 1705 CA GLY A 116 -8.302 -0.560 23.475 1.00 0.00 C ATOM 1706 C GLY A 116 -6.907 -0.535 24.066 1.00 0.00 C ATOM 1707 O GLY A 116 -6.605 -1.287 24.993 1.00 0.00 O ATOM 0 H GLY A 116 -8.668 1.433 22.942 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.891 -1.330 23.974 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.242 -0.836 22.422 1.00 0.00 H new TER 1711 GLY A 116