USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 714 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 Single : A 16 SER OG : rot 21:sc= 0.806 USER MOD Single : A 18 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 23 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -109:sc= 0.217 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -146:sc= -0.313 (180deg=-1.68!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.77 F(o=-2.9,f=-1.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.9) USER MOD Single : A 76 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.23) USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.13 USER MOD Single : A 84 CYS SG : rot 100:sc= -2.04! USER MOD Single : A 85 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 94 SER OG : rot 70:sc= -0.899 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.771 USER MOD Single : A 105 ASN : amide:sc= -0.934 X(o=-0.93,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -8.321 -16.089 -13.662 1.00 0.00 N ATOM 2 CA SER A 16 -8.837 -14.969 -12.827 1.00 0.00 C ATOM 3 C SER A 16 -9.059 -15.407 -11.378 1.00 0.00 C ATOM 4 O SER A 16 -8.589 -14.754 -10.447 1.00 0.00 O ATOM 5 CB SER A 16 -10.151 -14.461 -13.431 1.00 0.00 C ATOM 6 OG SER A 16 -10.319 -14.927 -14.760 1.00 0.00 O ATOM 0 HA SER A 16 -8.096 -14.170 -12.818 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.989 -14.793 -12.818 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.161 -13.371 -13.421 1.00 0.00 H new ATOM 0 HG SER A 16 -9.760 -15.720 -14.902 1.00 0.00 H new ATOM 14 N PRO A 17 -9.786 -16.521 -11.166 1.00 0.00 N ATOM 15 CA PRO A 17 -10.067 -17.033 -9.825 1.00 0.00 C ATOM 16 C PRO A 17 -8.929 -17.887 -9.271 1.00 0.00 C ATOM 17 O PRO A 17 -9.152 -19.003 -8.804 1.00 0.00 O ATOM 18 CB PRO A 17 -11.314 -17.883 -10.049 1.00 0.00 C ATOM 19 CG PRO A 17 -11.164 -18.406 -11.438 1.00 0.00 C ATOM 20 CD PRO A 17 -10.394 -17.365 -12.213 1.00 0.00 C ATOM 0 HA PRO A 17 -10.192 -16.234 -9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.377 -18.694 -9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.223 -17.290 -9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.634 -19.359 -11.438 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.139 -18.584 -11.892 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.635 -17.821 -12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.049 -16.785 -12.863 1.00 0.00 H new ATOM 28 N THR A 18 -7.712 -17.350 -9.321 1.00 0.00 N ATOM 29 CA THR A 18 -6.537 -18.054 -8.823 1.00 0.00 C ATOM 30 C THR A 18 -5.278 -17.212 -9.037 1.00 0.00 C ATOM 31 O THR A 18 -4.607 -16.830 -8.078 1.00 0.00 O ATOM 32 CB THR A 18 -6.397 -19.424 -9.507 1.00 0.00 C ATOM 33 OG1 THR A 18 -7.174 -20.398 -8.834 1.00 0.00 O ATOM 34 CG2 THR A 18 -4.975 -19.943 -9.562 1.00 0.00 C ATOM 0 H THR A 18 -7.515 -16.425 -9.704 1.00 0.00 H new ATOM 0 HA THR A 18 -6.662 -18.219 -7.753 1.00 0.00 H new ATOM 0 HB THR A 18 -6.743 -19.263 -10.528 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.125 -20.189 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.961 -20.913 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.353 -19.241 -10.118 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.587 -20.049 -8.549 1.00 0.00 H new ATOM 42 N PRO A 19 -4.942 -16.908 -10.304 1.00 0.00 N ATOM 43 CA PRO A 19 -3.759 -16.106 -10.633 1.00 0.00 C ATOM 44 C PRO A 19 -3.923 -14.644 -10.231 1.00 0.00 C ATOM 45 O PRO A 19 -4.671 -13.897 -10.863 1.00 0.00 O ATOM 46 CB PRO A 19 -3.656 -16.233 -12.155 1.00 0.00 C ATOM 47 CG PRO A 19 -5.050 -16.504 -12.603 1.00 0.00 C ATOM 48 CD PRO A 19 -5.684 -17.318 -11.512 1.00 0.00 C ATOM 0 HA PRO A 19 -2.871 -16.451 -10.102 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.266 -15.320 -12.604 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.983 -17.041 -12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.596 -15.574 -12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.058 -17.046 -13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.749 -17.106 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.586 -18.387 -11.700 1.00 0.00 H new ATOM 56 N VAL A 20 -3.221 -14.243 -9.175 1.00 0.00 N ATOM 57 CA VAL A 20 -3.286 -12.871 -8.681 1.00 0.00 C ATOM 58 C VAL A 20 -3.178 -11.858 -9.816 1.00 0.00 C ATOM 59 O VAL A 20 -2.699 -12.175 -10.905 1.00 0.00 O ATOM 60 CB VAL A 20 -2.169 -12.591 -7.658 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.310 -13.500 -6.448 1.00 0.00 C ATOM 62 CG2 VAL A 20 -0.799 -12.754 -8.302 1.00 0.00 C ATOM 0 H VAL A 20 -2.598 -14.851 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.257 -12.762 -8.198 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.264 -11.559 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.512 -13.286 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.275 -13.326 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.245 -14.541 -6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.023 -12.552 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.690 -13.773 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.701 -12.054 -9.132 1.00 0.00 H new ATOM 72 N GLU A 21 -3.619 -10.635 -9.547 1.00 0.00 N ATOM 73 CA GLU A 21 -3.568 -9.565 -10.535 1.00 0.00 C ATOM 74 C GLU A 21 -2.812 -8.365 -9.978 1.00 0.00 C ATOM 75 O GLU A 21 -3.170 -7.827 -8.929 1.00 0.00 O ATOM 76 CB GLU A 21 -4.984 -9.153 -10.946 1.00 0.00 C ATOM 77 CG GLU A 21 -5.381 -9.642 -12.329 1.00 0.00 C ATOM 78 CD GLU A 21 -6.281 -8.663 -13.058 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.221 -8.136 -12.424 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.048 -8.423 -14.261 1.00 0.00 O ATOM 0 H GLU A 21 -4.017 -10.359 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.041 -9.931 -11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.693 -9.541 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.060 -8.066 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.482 -9.814 -12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.891 -10.601 -12.239 1.00 0.00 H new ATOM 87 N LEU A 22 -1.759 -7.958 -10.679 1.00 0.00 N ATOM 88 CA LEU A 22 -0.945 -6.829 -10.251 1.00 0.00 C ATOM 89 C LEU A 22 -1.764 -5.546 -10.170 1.00 0.00 C ATOM 90 O LEU A 22 -2.696 -5.340 -10.948 1.00 0.00 O ATOM 91 CB LEU A 22 0.225 -6.633 -11.212 1.00 0.00 C ATOM 92 CG LEU A 22 1.460 -7.471 -10.894 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.572 -7.180 -11.889 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.928 -7.208 -9.470 1.00 0.00 C ATOM 0 H LEU A 22 -1.450 -8.395 -11.547 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.567 -7.052 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.109 -6.871 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.507 -5.580 -11.209 1.00 0.00 H new ATOM 0 HG LEU A 22 1.195 -8.525 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.445 -7.786 -11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.231 -7.420 -12.896 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.838 -6.124 -11.838 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.810 -7.813 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.177 -6.153 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.133 -7.469 -8.772 1.00 0.00 H new ATOM 106 N HIS A 23 -1.404 -4.687 -9.222 1.00 0.00 N ATOM 107 CA HIS A 23 -2.097 -3.419 -9.031 1.00 0.00 C ATOM 108 C HIS A 23 -1.156 -2.369 -8.445 1.00 0.00 C ATOM 109 O HIS A 23 -0.800 -2.431 -7.267 1.00 0.00 O ATOM 110 CB HIS A 23 -3.302 -3.603 -8.106 1.00 0.00 C ATOM 111 CG HIS A 23 -4.463 -4.290 -8.755 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.796 -4.121 -10.082 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.374 -5.154 -8.247 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.863 -4.849 -10.363 1.00 0.00 C ATOM 115 NE2 HIS A 23 -6.232 -5.485 -9.267 1.00 0.00 N ATOM 0 H HIS A 23 -0.634 -4.847 -8.573 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.443 -3.075 -10.006 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.993 -4.178 -7.233 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.625 -2.626 -7.746 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.418 -5.515 -7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.350 -4.912 -11.325 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.026 -6.120 -9.190 1.00 0.00 H new ATOM 124 N LYS A 24 -0.763 -1.404 -9.270 1.00 0.00 N ATOM 125 CA LYS A 24 0.126 -0.338 -8.826 1.00 0.00 C ATOM 126 C LYS A 24 -0.608 0.595 -7.869 1.00 0.00 C ATOM 127 O LYS A 24 -1.606 1.213 -8.239 1.00 0.00 O ATOM 128 CB LYS A 24 0.658 0.449 -10.026 1.00 0.00 C ATOM 129 CG LYS A 24 2.141 0.772 -9.935 1.00 0.00 C ATOM 130 CD LYS A 24 2.439 2.176 -10.437 1.00 0.00 C ATOM 131 CE LYS A 24 3.835 2.626 -10.036 1.00 0.00 C ATOM 132 NZ LYS A 24 4.890 1.943 -10.834 1.00 0.00 N ATOM 0 H LYS A 24 -1.046 -1.339 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 24 0.971 -0.786 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.475 -0.124 -10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.097 1.379 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.472 0.677 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.708 0.048 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.345 2.203 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.702 2.871 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.921 3.704 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.992 2.422 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.827 2.278 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.825 0.915 -10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.756 2.158 -11.843 1.00 0.00 H new ATOM 146 N VAL A 25 -0.124 0.683 -6.635 1.00 0.00 N ATOM 147 CA VAL A 25 -0.758 1.533 -5.632 1.00 0.00 C ATOM 148 C VAL A 25 0.235 2.505 -5.004 1.00 0.00 C ATOM 149 O VAL A 25 1.386 2.155 -4.738 1.00 0.00 O ATOM 150 CB VAL A 25 -1.416 0.702 -4.506 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.884 1.077 -4.348 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.268 -0.792 -4.764 1.00 0.00 C ATOM 0 H VAL A 25 0.700 0.180 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.528 2.096 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.899 0.933 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.328 0.481 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.964 2.135 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.411 0.884 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.741 -1.349 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.747 -1.047 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.210 -1.050 -4.813 1.00 0.00 H new ATOM 162 N THR A 26 -0.234 3.722 -4.754 1.00 0.00 N ATOM 163 CA THR A 26 0.586 4.755 -4.139 1.00 0.00 C ATOM 164 C THR A 26 -0.204 5.452 -3.034 1.00 0.00 C ATOM 165 O THR A 26 -1.124 6.222 -3.310 1.00 0.00 O ATOM 166 CB THR A 26 1.034 5.774 -5.188 1.00 0.00 C ATOM 167 OG1 THR A 26 1.802 5.145 -6.200 1.00 0.00 O ATOM 168 CG2 THR A 26 1.866 6.901 -4.616 1.00 0.00 C ATOM 0 H THR A 26 -1.186 4.017 -4.970 1.00 0.00 H new ATOM 0 HA THR A 26 1.472 4.291 -3.706 1.00 0.00 H new ATOM 0 HB THR A 26 0.113 6.195 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.740 5.415 -6.114 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.149 7.586 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.285 7.438 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.764 6.492 -4.154 1.00 0.00 H new ATOM 176 N LEU A 27 0.144 5.166 -1.784 1.00 0.00 N ATOM 177 CA LEU A 27 -0.553 5.757 -0.646 1.00 0.00 C ATOM 178 C LEU A 27 0.221 6.930 -0.056 1.00 0.00 C ATOM 179 O LEU A 27 1.365 7.189 -0.432 1.00 0.00 O ATOM 180 CB LEU A 27 -0.789 4.699 0.433 1.00 0.00 C ATOM 181 CG LEU A 27 -1.606 3.486 -0.017 1.00 0.00 C ATOM 182 CD1 LEU A 27 -1.345 2.298 0.896 1.00 0.00 C ATOM 183 CD2 LEU A 27 -3.088 3.825 -0.045 1.00 0.00 C ATOM 0 H LEU A 27 0.902 4.531 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.510 6.134 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.178 4.352 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.297 5.168 1.275 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.296 3.216 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.935 1.445 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.286 2.042 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.627 2.555 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.655 2.952 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.413 4.121 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.260 4.646 -0.741 1.00 0.00 H new ATOM 195 N TYR A 28 -0.415 7.632 0.877 1.00 0.00 N ATOM 196 CA TYR A 28 0.199 8.779 1.536 1.00 0.00 C ATOM 197 C TYR A 28 0.209 8.579 3.048 1.00 0.00 C ATOM 198 O TYR A 28 -0.774 8.120 3.627 1.00 0.00 O ATOM 199 CB TYR A 28 -0.550 10.066 1.183 1.00 0.00 C ATOM 200 CG TYR A 28 -1.007 10.132 -0.259 1.00 0.00 C ATOM 201 CD1 TYR A 28 -0.197 9.667 -1.287 1.00 0.00 C ATOM 202 CD2 TYR A 28 -2.248 10.662 -0.589 1.00 0.00 C ATOM 203 CE1 TYR A 28 -0.612 9.726 -2.604 1.00 0.00 C ATOM 204 CE2 TYR A 28 -2.670 10.724 -1.903 1.00 0.00 C ATOM 205 CZ TYR A 28 -1.849 10.255 -2.906 1.00 0.00 C ATOM 206 OH TYR A 28 -2.265 10.316 -4.216 1.00 0.00 O ATOM 0 H TYR A 28 -1.362 7.424 1.195 1.00 0.00 H new ATOM 0 HA TYR A 28 1.227 8.866 1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.419 10.160 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.096 10.919 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.773 9.253 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.893 11.032 0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.029 9.360 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.638 11.138 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.159 10.714 -4.257 1.00 0.00 H new ATOM 216 N LYS A 29 1.326 8.920 3.682 1.00 0.00 N ATOM 217 CA LYS A 29 1.458 8.766 5.126 1.00 0.00 C ATOM 218 C LYS A 29 1.124 10.063 5.854 1.00 0.00 C ATOM 219 O LYS A 29 1.102 11.139 5.256 1.00 0.00 O ATOM 220 CB LYS A 29 2.875 8.322 5.486 1.00 0.00 C ATOM 221 CG LYS A 29 2.922 7.291 6.602 1.00 0.00 C ATOM 222 CD LYS A 29 4.273 7.283 7.299 1.00 0.00 C ATOM 223 CE LYS A 29 4.119 7.228 8.810 1.00 0.00 C ATOM 224 NZ LYS A 29 5.437 7.206 9.503 1.00 0.00 N ATOM 0 H LYS A 29 2.151 9.304 3.220 1.00 0.00 H new ATOM 0 HA LYS A 29 0.749 8.002 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.354 7.908 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.456 9.195 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.138 7.504 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.717 6.302 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.854 6.425 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.832 8.176 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.546 8.091 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.550 6.340 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.288 7.168 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.974 6.369 9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.970 8.066 9.262 1.00 0.00 H new ATOM 238 N ASP A 30 0.869 9.949 7.153 1.00 0.00 N ATOM 239 CA ASP A 30 0.540 11.106 7.975 1.00 0.00 C ATOM 240 C ASP A 30 1.377 11.118 9.251 1.00 0.00 C ATOM 241 O ASP A 30 1.433 10.126 9.977 1.00 0.00 O ATOM 242 CB ASP A 30 -0.949 11.102 8.329 1.00 0.00 C ATOM 243 CG ASP A 30 -1.817 11.562 7.175 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.739 10.947 6.091 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.576 12.537 7.356 1.00 0.00 O ATOM 0 H ASP A 30 0.884 9.064 7.660 1.00 0.00 H new ATOM 0 HA ASP A 30 0.766 12.005 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.247 10.096 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.117 11.751 9.188 1.00 0.00 H new ATOM 250 N SER A 31 2.030 12.245 9.517 1.00 0.00 N ATOM 251 CA SER A 31 2.868 12.385 10.704 1.00 0.00 C ATOM 252 C SER A 31 2.118 11.960 11.964 1.00 0.00 C ATOM 253 O SER A 31 2.726 11.529 12.944 1.00 0.00 O ATOM 254 CB SER A 31 3.346 13.832 10.846 1.00 0.00 C ATOM 255 OG SER A 31 4.684 13.884 11.312 1.00 0.00 O ATOM 0 H SER A 31 1.995 13.076 8.926 1.00 0.00 H new ATOM 0 HA SER A 31 3.731 11.730 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.273 14.339 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.696 14.367 11.538 1.00 0.00 H new ATOM 0 HG SER A 31 4.966 14.819 11.393 1.00 0.00 H new ATOM 261 N GLY A 32 0.794 12.082 11.931 1.00 0.00 N ATOM 262 CA GLY A 32 -0.013 11.704 13.075 1.00 0.00 C ATOM 263 C GLY A 32 -0.585 10.307 12.945 1.00 0.00 C ATOM 264 O GLY A 32 -1.633 10.002 13.514 1.00 0.00 O ATOM 0 H GLY A 32 0.267 12.436 11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.594 11.762 13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.829 12.418 13.192 1.00 0.00 H new ATOM 268 N MET A 33 0.103 9.454 12.192 1.00 0.00 N ATOM 269 CA MET A 33 -0.343 8.081 11.986 1.00 0.00 C ATOM 270 C MET A 33 0.818 7.191 11.553 1.00 0.00 C ATOM 271 O MET A 33 1.663 7.599 10.757 1.00 0.00 O ATOM 272 CB MET A 33 -1.455 8.036 10.936 1.00 0.00 C ATOM 273 CG MET A 33 -2.853 8.148 11.522 1.00 0.00 C ATOM 274 SD MET A 33 -3.851 6.673 11.238 1.00 0.00 S ATOM 275 CE MET A 33 -3.648 6.463 9.470 1.00 0.00 C ATOM 0 H MET A 33 0.973 9.690 11.714 1.00 0.00 H new ATOM 0 HA MET A 33 -0.731 7.705 12.933 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.303 8.847 10.224 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.378 7.103 10.378 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.779 8.330 12.594 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.356 9.011 11.086 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.567 6.060 9.044 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.428 7.427 9.012 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.826 5.774 9.277 1.00 0.00 H new ATOM 285 N GLU A 34 0.851 5.971 12.080 1.00 0.00 N ATOM 286 CA GLU A 34 1.908 5.023 11.745 1.00 0.00 C ATOM 287 C GLU A 34 1.459 4.072 10.642 1.00 0.00 C ATOM 288 O GLU A 34 2.282 3.481 9.943 1.00 0.00 O ATOM 289 CB GLU A 34 2.326 4.230 12.984 1.00 0.00 C ATOM 290 CG GLU A 34 1.153 3.660 13.766 1.00 0.00 C ATOM 291 CD GLU A 34 1.575 2.584 14.746 1.00 0.00 C ATOM 292 OE1 GLU A 34 2.328 2.901 15.690 1.00 0.00 O ATOM 293 OE2 GLU A 34 1.153 1.421 14.568 1.00 0.00 O ATOM 0 H GLU A 34 0.159 5.616 12.740 1.00 0.00 H new ATOM 0 HA GLU A 34 2.765 5.589 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.980 3.413 12.679 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.909 4.877 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.656 4.465 14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.423 3.247 13.070 1.00 0.00 H new ATOM 300 N ASP A 35 0.150 3.933 10.492 1.00 0.00 N ATOM 301 CA ASP A 35 -0.416 3.056 9.472 1.00 0.00 C ATOM 302 C ASP A 35 -0.515 3.778 8.133 1.00 0.00 C ATOM 303 O ASP A 35 -0.301 4.988 8.052 1.00 0.00 O ATOM 304 CB ASP A 35 -1.798 2.562 9.903 1.00 0.00 C ATOM 305 CG ASP A 35 -2.023 1.101 9.562 1.00 0.00 C ATOM 306 OD1 ASP A 35 -1.683 0.697 8.430 1.00 0.00 O ATOM 307 OD2 ASP A 35 -2.538 0.362 10.427 1.00 0.00 O ATOM 0 H ASP A 35 -0.543 4.416 11.064 1.00 0.00 H new ATOM 0 HA ASP A 35 0.247 2.198 9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.912 2.703 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.564 3.167 9.419 1.00 0.00 H new ATOM 312 N PHE A 36 -0.838 3.030 7.082 1.00 0.00 N ATOM 313 CA PHE A 36 -0.964 3.606 5.748 1.00 0.00 C ATOM 314 C PHE A 36 -2.376 3.428 5.198 1.00 0.00 C ATOM 315 O PHE A 36 -2.585 3.444 3.985 1.00 0.00 O ATOM 316 CB PHE A 36 0.055 2.975 4.798 1.00 0.00 C ATOM 317 CG PHE A 36 1.101 3.942 4.324 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.780 4.935 3.412 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.401 3.865 4.796 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.738 5.831 2.978 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.364 4.756 4.363 1.00 0.00 C ATOM 322 CZ PHE A 36 3.032 5.741 3.453 1.00 0.00 C ATOM 0 H PHE A 36 -1.017 2.027 7.128 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.764 4.675 5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.543 2.140 5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.469 2.564 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.230 5.009 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.665 3.100 5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.475 6.601 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.375 4.683 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.783 6.439 3.114 1.00 0.00 H new ATOM 332 N GLY A 37 -3.346 3.270 6.094 1.00 0.00 N ATOM 333 CA GLY A 37 -4.723 3.104 5.673 1.00 0.00 C ATOM 334 C GLY A 37 -5.108 1.655 5.433 1.00 0.00 C ATOM 335 O GLY A 37 -6.184 1.379 4.905 1.00 0.00 O ATOM 0 H GLY A 37 -3.202 3.254 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.381 3.526 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.887 3.672 4.757 1.00 0.00 H new ATOM 339 N PHE A 38 -4.238 0.725 5.816 1.00 0.00 N ATOM 340 CA PHE A 38 -4.522 -0.694 5.631 1.00 0.00 C ATOM 341 C PHE A 38 -3.455 -1.571 6.282 1.00 0.00 C ATOM 342 O PHE A 38 -2.262 -1.278 6.206 1.00 0.00 O ATOM 343 CB PHE A 38 -4.662 -1.017 4.138 1.00 0.00 C ATOM 344 CG PHE A 38 -3.364 -1.087 3.375 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.295 -0.259 3.688 1.00 0.00 C ATOM 346 CD2 PHE A 38 -3.221 -1.987 2.331 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.113 -0.331 2.975 1.00 0.00 C ATOM 348 CE2 PHE A 38 -2.044 -2.061 1.613 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.989 -1.234 1.935 1.00 0.00 C ATOM 0 H PHE A 38 -3.338 0.926 6.253 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.467 -0.915 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.178 -1.972 4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.297 -0.261 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.388 0.450 4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.042 -2.640 2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.287 0.317 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.950 -2.766 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.067 -1.291 1.376 1.00 0.00 H new ATOM 359 N SER A 39 -3.899 -2.650 6.925 1.00 0.00 N ATOM 360 CA SER A 39 -2.991 -3.573 7.594 1.00 0.00 C ATOM 361 C SER A 39 -2.728 -4.793 6.721 1.00 0.00 C ATOM 362 O SER A 39 -3.546 -5.149 5.874 1.00 0.00 O ATOM 363 CB SER A 39 -3.571 -4.008 8.941 1.00 0.00 C ATOM 364 OG SER A 39 -3.440 -2.980 9.909 1.00 0.00 O ATOM 0 H SER A 39 -4.884 -2.905 6.995 1.00 0.00 H new ATOM 0 HA SER A 39 -2.046 -3.058 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.623 -4.267 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.059 -4.906 9.288 1.00 0.00 H new ATOM 0 HG SER A 39 -3.820 -3.282 10.760 1.00 0.00 H new ATOM 370 N VAL A 40 -1.580 -5.429 6.935 1.00 0.00 N ATOM 371 CA VAL A 40 -1.209 -6.608 6.166 1.00 0.00 C ATOM 372 C VAL A 40 -1.099 -7.843 7.057 1.00 0.00 C ATOM 373 O VAL A 40 -0.935 -7.731 8.271 1.00 0.00 O ATOM 374 CB VAL A 40 0.126 -6.394 5.429 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.010 -5.245 4.439 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.254 -6.141 6.419 1.00 0.00 C ATOM 0 H VAL A 40 -0.893 -5.147 7.634 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.000 -6.770 5.434 1.00 0.00 H new ATOM 0 HB VAL A 40 0.361 -7.302 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.963 -5.108 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.766 -5.472 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.250 -4.330 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.188 -5.993 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.030 -5.250 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.353 -6.999 7.084 1.00 0.00 H new ATOM 386 N ALA A 41 -1.192 -9.019 6.442 1.00 0.00 N ATOM 387 CA ALA A 41 -1.106 -10.278 7.172 1.00 0.00 C ATOM 388 C ALA A 41 0.094 -11.100 6.708 1.00 0.00 C ATOM 389 O ALA A 41 0.825 -10.692 5.805 1.00 0.00 O ATOM 390 CB ALA A 41 -2.393 -11.074 7.006 1.00 0.00 C ATOM 0 H ALA A 41 -1.327 -9.125 5.437 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.969 -10.049 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.314 -12.012 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.231 -10.495 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.556 -11.286 5.949 1.00 0.00 H new ATOM 396 N ASP A 42 0.290 -12.255 7.332 1.00 0.00 N ATOM 397 CA ASP A 42 1.403 -13.132 6.983 1.00 0.00 C ATOM 398 C ASP A 42 0.959 -14.231 6.021 1.00 0.00 C ATOM 399 O ASP A 42 -0.161 -14.732 6.109 1.00 0.00 O ATOM 400 CB ASP A 42 1.999 -13.756 8.245 1.00 0.00 C ATOM 401 CG ASP A 42 3.140 -12.934 8.815 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.066 -12.594 8.049 1.00 0.00 O ATOM 403 OD2 ASP A 42 3.107 -12.631 10.026 1.00 0.00 O ATOM 0 H ASP A 42 -0.306 -12.607 8.081 1.00 0.00 H new ATOM 0 HA ASP A 42 2.163 -12.529 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.218 -13.860 8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.357 -14.760 8.016 1.00 0.00 H new ATOM 408 N GLY A 43 1.851 -14.601 5.107 1.00 0.00 N ATOM 409 CA GLY A 43 1.540 -15.641 4.145 1.00 0.00 C ATOM 410 C GLY A 43 2.218 -16.955 4.481 1.00 0.00 C ATOM 411 O GLY A 43 3.445 -17.046 4.474 1.00 0.00 O ATOM 0 H GLY A 43 2.784 -14.198 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.461 -15.790 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.850 -15.318 3.151 1.00 0.00 H new ATOM 415 N LEU A 44 1.420 -17.971 4.787 1.00 0.00 N ATOM 416 CA LEU A 44 1.954 -19.282 5.138 1.00 0.00 C ATOM 417 C LEU A 44 2.020 -20.196 3.924 1.00 0.00 C ATOM 418 O LEU A 44 3.018 -20.880 3.695 1.00 0.00 O ATOM 419 CB LEU A 44 1.102 -19.929 6.234 1.00 0.00 C ATOM 420 CG LEU A 44 1.890 -20.608 7.353 1.00 0.00 C ATOM 421 CD1 LEU A 44 1.077 -20.633 8.640 1.00 0.00 C ATOM 422 CD2 LEU A 44 2.288 -22.018 6.945 1.00 0.00 C ATOM 0 H LEU A 44 0.402 -17.913 4.799 1.00 0.00 H new ATOM 0 HA LEU A 44 2.968 -19.138 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.462 -19.164 6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.446 -20.667 5.774 1.00 0.00 H new ATOM 0 HG LEU A 44 2.798 -20.033 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.654 -21.120 9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.842 -19.612 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.151 -21.184 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.848 -22.486 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.392 -22.603 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.909 -21.976 6.050 1.00 0.00 H new ATOM 434 N LEU A 45 0.944 -20.207 3.161 1.00 0.00 N ATOM 435 CA LEU A 45 0.853 -21.042 1.968 1.00 0.00 C ATOM 436 C LEU A 45 1.479 -20.364 0.748 1.00 0.00 C ATOM 437 O LEU A 45 1.411 -20.893 -0.362 1.00 0.00 O ATOM 438 CB LEU A 45 -0.607 -21.391 1.681 1.00 0.00 C ATOM 439 CG LEU A 45 -1.042 -22.771 2.174 1.00 0.00 C ATOM 440 CD1 LEU A 45 -0.109 -23.851 1.649 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.093 -22.801 3.695 1.00 0.00 C ATOM 0 H LEU A 45 0.113 -19.645 3.344 1.00 0.00 H new ATOM 0 HA LEU A 45 1.414 -21.956 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.244 -20.637 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.775 -21.335 0.606 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.042 -22.971 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.438 -24.824 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.124 -23.847 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.905 -23.657 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.404 -23.791 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.105 -22.577 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.806 -22.057 4.050 1.00 0.00 H new ATOM 453 N GLU A 46 2.088 -19.197 0.950 1.00 0.00 N ATOM 454 CA GLU A 46 2.714 -18.472 -0.152 1.00 0.00 C ATOM 455 C GLU A 46 3.845 -17.570 0.341 1.00 0.00 C ATOM 456 O GLU A 46 4.207 -16.604 -0.329 1.00 0.00 O ATOM 457 CB GLU A 46 1.672 -17.633 -0.893 1.00 0.00 C ATOM 458 CG GLU A 46 0.439 -18.421 -1.310 1.00 0.00 C ATOM 459 CD GLU A 46 -0.453 -17.647 -2.259 1.00 0.00 C ATOM 460 OE1 GLU A 46 -0.059 -17.466 -3.432 1.00 0.00 O ATOM 461 OE2 GLU A 46 -1.547 -17.221 -1.833 1.00 0.00 O ATOM 0 H GLU A 46 2.161 -18.737 1.858 1.00 0.00 H new ATOM 0 HA GLU A 46 3.139 -19.210 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.365 -16.804 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.132 -17.198 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.750 -19.351 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.131 -18.693 -0.422 1.00 0.00 H new ATOM 468 N LYS A 47 4.402 -17.901 1.511 1.00 0.00 N ATOM 469 CA LYS A 47 5.502 -17.134 2.112 1.00 0.00 C ATOM 470 C LYS A 47 5.534 -15.685 1.621 1.00 0.00 C ATOM 471 O LYS A 47 6.319 -15.334 0.742 1.00 0.00 O ATOM 472 CB LYS A 47 6.838 -17.811 1.804 1.00 0.00 C ATOM 473 CG LYS A 47 7.331 -18.718 2.920 1.00 0.00 C ATOM 474 CD LYS A 47 8.395 -18.037 3.763 1.00 0.00 C ATOM 475 CE LYS A 47 7.820 -17.511 5.069 1.00 0.00 C ATOM 476 NZ LYS A 47 7.858 -18.538 6.147 1.00 0.00 N ATOM 0 H LYS A 47 4.106 -18.704 2.067 1.00 0.00 H new ATOM 0 HA LYS A 47 5.333 -17.113 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.738 -18.396 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.589 -17.044 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.492 -19.005 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.736 -19.635 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.198 -18.742 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.835 -17.214 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.382 -16.632 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.791 -17.190 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.457 -18.140 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.301 -19.367 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.843 -18.826 6.318 1.00 0.00 H new ATOM 490 N GLY A 48 4.675 -14.852 2.197 1.00 0.00 N ATOM 491 CA GLY A 48 4.622 -13.455 1.806 1.00 0.00 C ATOM 492 C GLY A 48 3.726 -12.636 2.713 1.00 0.00 C ATOM 493 O GLY A 48 3.474 -13.018 3.856 1.00 0.00 O ATOM 0 H GLY A 48 4.015 -15.118 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.629 -13.038 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.261 -13.381 0.780 1.00 0.00 H new ATOM 497 N VAL A 49 3.243 -11.506 2.204 1.00 0.00 N ATOM 498 CA VAL A 49 2.370 -10.634 2.981 1.00 0.00 C ATOM 499 C VAL A 49 1.295 -10.003 2.099 1.00 0.00 C ATOM 500 O VAL A 49 1.565 -9.592 0.970 1.00 0.00 O ATOM 501 CB VAL A 49 3.170 -9.516 3.678 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.268 -8.702 4.594 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.340 -10.102 4.454 1.00 0.00 C ATOM 0 H VAL A 49 3.441 -11.174 1.260 1.00 0.00 H new ATOM 0 HA VAL A 49 1.894 -11.256 3.739 1.00 0.00 H new ATOM 0 HB VAL A 49 3.567 -8.849 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.852 -7.918 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.467 -8.250 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.838 -9.354 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.894 -9.298 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.966 -10.793 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.000 -10.635 3.770 1.00 0.00 H new ATOM 513 N TYR A 50 0.076 -9.926 2.627 1.00 0.00 N ATOM 514 CA TYR A 50 -1.043 -9.341 1.894 1.00 0.00 C ATOM 515 C TYR A 50 -1.848 -8.417 2.803 1.00 0.00 C ATOM 516 O TYR A 50 -1.654 -8.410 4.017 1.00 0.00 O ATOM 517 CB TYR A 50 -1.956 -10.434 1.324 1.00 0.00 C ATOM 518 CG TYR A 50 -1.346 -11.820 1.331 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.228 -12.111 0.559 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.889 -12.835 2.109 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.333 -13.374 0.563 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.332 -14.101 2.118 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.223 -14.365 1.344 1.00 0.00 C ATOM 524 OH TYR A 50 0.333 -15.624 1.351 1.00 0.00 O ATOM 0 H TYR A 50 -0.162 -10.262 3.560 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.636 -8.762 1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.882 -10.454 1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.222 -10.172 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.210 -11.337 -0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.759 -12.632 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.202 -13.584 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.765 -14.879 2.729 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.178 -16.204 1.954 1.00 0.00 H new ATOM 534 N VAL A 51 -2.749 -7.640 2.214 1.00 0.00 N ATOM 535 CA VAL A 51 -3.576 -6.717 2.984 1.00 0.00 C ATOM 536 C VAL A 51 -4.660 -7.463 3.757 1.00 0.00 C ATOM 537 O VAL A 51 -5.482 -8.169 3.169 1.00 0.00 O ATOM 538 CB VAL A 51 -4.234 -5.658 2.077 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.105 -4.713 2.893 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.169 -4.885 1.315 1.00 0.00 C ATOM 0 H VAL A 51 -2.926 -7.630 1.209 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.915 -6.214 3.690 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.875 -6.168 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.559 -3.975 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.888 -5.282 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.492 -4.205 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.646 -4.140 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.505 -4.387 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.591 -5.573 0.698 1.00 0.00 H new ATOM 550 N LYS A 52 -4.652 -7.303 5.075 1.00 0.00 N ATOM 551 CA LYS A 52 -5.629 -7.960 5.935 1.00 0.00 C ATOM 552 C LYS A 52 -6.868 -7.099 6.121 1.00 0.00 C ATOM 553 O LYS A 52 -7.976 -7.611 6.284 1.00 0.00 O ATOM 554 CB LYS A 52 -5.010 -8.276 7.296 1.00 0.00 C ATOM 555 CG LYS A 52 -4.487 -7.049 8.029 1.00 0.00 C ATOM 556 CD LYS A 52 -4.983 -7.003 9.466 1.00 0.00 C ATOM 557 CE LYS A 52 -3.941 -7.544 10.433 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.556 -8.377 11.502 1.00 0.00 N ATOM 0 H LYS A 52 -3.977 -6.722 5.573 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.927 -8.889 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.756 -8.770 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.191 -8.982 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.397 -7.056 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.805 -6.148 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.231 -5.976 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.900 -7.586 9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.211 -8.139 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.400 -6.713 10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.813 -8.727 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.235 -7.803 12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.051 -9.184 11.072 1.00 0.00 H new ATOM 572 N ASN A 53 -6.671 -5.792 6.097 1.00 0.00 N ATOM 573 CA ASN A 53 -7.771 -4.850 6.271 1.00 0.00 C ATOM 574 C ASN A 53 -7.379 -3.450 5.809 1.00 0.00 C ATOM 575 O ASN A 53 -6.196 -3.146 5.651 1.00 0.00 O ATOM 576 CB ASN A 53 -8.204 -4.807 7.738 1.00 0.00 C ATOM 577 CG ASN A 53 -9.152 -5.936 8.096 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.615 -6.992 8.695 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -10.353 -5.860 7.836 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.760 -5.355 5.959 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.604 -5.193 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.322 -4.861 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.687 -3.852 7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.723 -5.029 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.978 -6.628 8.082 1.00 0.00 H new ATOM 586 N ILE A 54 -8.381 -2.603 5.590 1.00 0.00 N ATOM 587 CA ILE A 54 -8.148 -1.237 5.144 1.00 0.00 C ATOM 588 C ILE A 54 -8.994 -0.250 5.946 1.00 0.00 C ATOM 589 O ILE A 54 -10.170 -0.495 6.209 1.00 0.00 O ATOM 590 CB ILE A 54 -8.458 -1.094 3.642 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.624 -2.110 2.842 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.205 0.337 3.173 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.812 -1.517 1.705 1.00 0.00 C ATOM 0 H ILE A 54 -9.365 -2.842 5.715 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.095 -1.008 5.309 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.513 -1.308 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.946 -2.620 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.294 -2.867 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.430 0.416 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.844 1.021 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.160 0.596 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.259 -2.310 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.481 -1.033 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.112 -0.782 2.102 1.00 0.00 H new ATOM 605 N ARG A 55 -8.381 0.864 6.335 1.00 0.00 N ATOM 606 CA ARG A 55 -9.068 1.887 7.112 1.00 0.00 C ATOM 607 C ARG A 55 -10.208 2.520 6.311 1.00 0.00 C ATOM 608 O ARG A 55 -9.991 3.039 5.216 1.00 0.00 O ATOM 609 CB ARG A 55 -8.078 2.971 7.549 1.00 0.00 C ATOM 610 CG ARG A 55 -8.147 3.297 9.033 1.00 0.00 C ATOM 611 CD ARG A 55 -6.864 2.915 9.753 1.00 0.00 C ATOM 612 NE ARG A 55 -7.107 2.523 11.138 1.00 0.00 N ATOM 613 CZ ARG A 55 -6.246 1.824 11.872 1.00 0.00 C ATOM 614 NH1 ARG A 55 -5.085 1.437 11.359 1.00 0.00 N ATOM 615 NH2 ARG A 55 -6.547 1.507 13.126 1.00 0.00 N ATOM 0 H ARG A 55 -7.407 1.080 6.123 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.494 1.408 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.066 2.648 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.270 3.879 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.334 4.363 9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.988 2.769 9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.383 2.093 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.172 3.757 9.731 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.989 2.802 11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.848 1.675 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.429 0.901 11.928 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.438 1.800 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.887 0.971 13.689 1.00 0.00 H new ATOM 629 N PRO A 56 -11.444 2.489 6.847 1.00 0.00 N ATOM 630 CA PRO A 56 -12.612 3.066 6.171 1.00 0.00 C ATOM 631 C PRO A 56 -12.434 4.553 5.882 1.00 0.00 C ATOM 632 O PRO A 56 -12.508 5.383 6.788 1.00 0.00 O ATOM 633 CB PRO A 56 -13.755 2.855 7.172 1.00 0.00 C ATOM 634 CG PRO A 56 -13.292 1.754 8.063 1.00 0.00 C ATOM 635 CD PRO A 56 -11.800 1.893 8.148 1.00 0.00 C ATOM 0 HA PRO A 56 -12.788 2.600 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.955 3.764 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.681 2.587 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.748 1.832 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.571 0.781 7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.502 2.532 8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.313 0.929 8.296 1.00 0.00 H new ATOM 643 N ALA A 57 -12.199 4.881 4.611 1.00 0.00 N ATOM 644 CA ALA A 57 -12.009 6.268 4.185 1.00 0.00 C ATOM 645 C ALA A 57 -10.575 6.726 4.429 1.00 0.00 C ATOM 646 O ALA A 57 -10.320 7.912 4.640 1.00 0.00 O ATOM 647 CB ALA A 57 -12.990 7.196 4.891 1.00 0.00 C ATOM 0 H ALA A 57 -12.135 4.200 3.854 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.204 6.313 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.827 8.220 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.010 6.895 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.835 7.137 5.968 1.00 0.00 H new ATOM 653 N GLY A 58 -9.641 5.781 4.394 1.00 0.00 N ATOM 654 CA GLY A 58 -8.246 6.110 4.611 1.00 0.00 C ATOM 655 C GLY A 58 -7.443 6.092 3.322 1.00 0.00 C ATOM 656 O GLY A 58 -8.009 5.937 2.242 1.00 0.00 O ATOM 0 H GLY A 58 -9.826 4.793 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.174 7.097 5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.813 5.401 5.316 1.00 0.00 H new ATOM 660 N PRO A 59 -6.111 6.247 3.406 1.00 0.00 N ATOM 661 CA PRO A 59 -5.242 6.244 2.224 1.00 0.00 C ATOM 662 C PRO A 59 -5.509 5.047 1.316 1.00 0.00 C ATOM 663 O PRO A 59 -5.547 5.180 0.092 1.00 0.00 O ATOM 664 CB PRO A 59 -3.837 6.164 2.818 1.00 0.00 C ATOM 665 CG PRO A 59 -3.962 6.772 4.172 1.00 0.00 C ATOM 666 CD PRO A 59 -5.348 6.435 4.655 1.00 0.00 C ATOM 0 HA PRO A 59 -5.402 7.120 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.491 5.132 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.117 6.707 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.206 6.374 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.816 7.851 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.352 5.533 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.767 7.236 5.265 1.00 0.00 H new ATOM 674 N GLY A 60 -5.694 3.879 1.924 1.00 0.00 N ATOM 675 CA GLY A 60 -5.958 2.677 1.154 1.00 0.00 C ATOM 676 C GLY A 60 -7.269 2.751 0.397 1.00 0.00 C ATOM 677 O GLY A 60 -7.373 2.255 -0.725 1.00 0.00 O ATOM 0 H GLY A 60 -5.666 3.744 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.143 2.515 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.976 1.817 1.823 1.00 0.00 H new ATOM 681 N ASP A 61 -8.270 3.376 1.009 1.00 0.00 N ATOM 682 CA ASP A 61 -9.577 3.521 0.384 1.00 0.00 C ATOM 683 C ASP A 61 -9.522 4.560 -0.725 1.00 0.00 C ATOM 684 O ASP A 61 -10.226 4.455 -1.729 1.00 0.00 O ATOM 685 CB ASP A 61 -10.622 3.919 1.426 1.00 0.00 C ATOM 686 CG ASP A 61 -11.965 3.258 1.182 1.00 0.00 C ATOM 687 OD1 ASP A 61 -12.681 3.694 0.258 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.300 2.305 1.916 1.00 0.00 O ATOM 0 H ASP A 61 -8.199 3.790 1.938 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.861 2.562 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.262 3.648 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.746 5.002 1.416 1.00 0.00 H new ATOM 693 N LEU A 62 -8.680 5.570 -0.533 1.00 0.00 N ATOM 694 CA LEU A 62 -8.528 6.636 -1.511 1.00 0.00 C ATOM 695 C LEU A 62 -7.858 6.121 -2.781 1.00 0.00 C ATOM 696 O LEU A 62 -8.166 6.572 -3.885 1.00 0.00 O ATOM 697 CB LEU A 62 -7.714 7.788 -0.921 1.00 0.00 C ATOM 698 CG LEU A 62 -8.342 8.471 0.293 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.362 9.448 0.924 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.627 9.182 -0.101 1.00 0.00 C ATOM 0 H LEU A 62 -8.092 5.671 0.294 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.522 7.000 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.731 7.410 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.556 8.536 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.585 7.706 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.828 9.924 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.469 8.912 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.086 10.209 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.060 9.663 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.408 9.936 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.335 8.458 -0.505 1.00 0.00 H new ATOM 712 N GLY A 63 -6.939 5.173 -2.619 1.00 0.00 N ATOM 713 CA GLY A 63 -6.241 4.612 -3.760 1.00 0.00 C ATOM 714 C GLY A 63 -7.020 3.498 -4.430 1.00 0.00 C ATOM 715 O GLY A 63 -7.149 3.471 -5.654 1.00 0.00 O ATOM 0 H GLY A 63 -6.666 4.784 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.046 5.401 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.273 4.230 -3.437 1.00 0.00 H new ATOM 719 N GLY A 64 -7.542 2.577 -3.627 1.00 0.00 N ATOM 720 CA GLY A 64 -8.309 1.468 -4.166 1.00 0.00 C ATOM 721 C GLY A 64 -7.716 0.119 -3.804 1.00 0.00 C ATOM 722 O GLY A 64 -7.773 -0.823 -4.594 1.00 0.00 O ATOM 0 H GLY A 64 -7.448 2.578 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.332 1.523 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.360 1.559 -5.251 1.00 0.00 H new ATOM 726 N LEU A 65 -7.144 0.028 -2.608 1.00 0.00 N ATOM 727 CA LEU A 65 -6.538 -1.214 -2.143 1.00 0.00 C ATOM 728 C LEU A 65 -7.608 -2.218 -1.721 1.00 0.00 C ATOM 729 O LEU A 65 -8.546 -1.873 -1.004 1.00 0.00 O ATOM 730 CB LEU A 65 -5.595 -0.934 -0.972 1.00 0.00 C ATOM 731 CG LEU A 65 -4.255 -0.301 -1.354 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.566 0.274 -0.124 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.362 -1.323 -2.041 1.00 0.00 C ATOM 0 H LEU A 65 -7.087 0.800 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.968 -1.644 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.102 -0.276 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.401 -1.871 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.444 0.515 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.615 0.720 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.202 1.037 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.388 -0.522 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.413 -0.857 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.180 -2.159 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.853 -1.686 -2.944 1.00 0.00 H new ATOM 745 N LYS A 66 -7.459 -3.460 -2.171 1.00 0.00 N ATOM 746 CA LYS A 66 -8.412 -4.513 -1.840 1.00 0.00 C ATOM 747 C LYS A 66 -7.735 -5.632 -1.050 1.00 0.00 C ATOM 748 O LYS A 66 -6.522 -5.817 -1.139 1.00 0.00 O ATOM 749 CB LYS A 66 -9.038 -5.079 -3.118 1.00 0.00 C ATOM 750 CG LYS A 66 -9.631 -4.013 -4.026 1.00 0.00 C ATOM 751 CD LYS A 66 -10.463 -4.628 -5.139 1.00 0.00 C ATOM 752 CE LYS A 66 -11.950 -4.566 -4.826 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.627 -3.457 -5.554 1.00 0.00 N ATOM 0 H LYS A 66 -6.687 -3.762 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.196 -4.080 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.279 -5.634 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.819 -5.790 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.252 -3.337 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.829 -3.415 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.265 -4.104 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.165 -5.666 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.417 -5.514 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.090 -4.434 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.639 -3.450 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.199 -2.550 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.516 -3.596 -6.579 1.00 0.00 H new ATOM 767 N PRO A 67 -8.509 -6.397 -0.260 1.00 0.00 N ATOM 768 CA PRO A 67 -7.972 -7.500 0.544 1.00 0.00 C ATOM 769 C PRO A 67 -7.211 -8.513 -0.304 1.00 0.00 C ATOM 770 O PRO A 67 -7.557 -8.748 -1.460 1.00 0.00 O ATOM 771 CB PRO A 67 -9.218 -8.146 1.168 1.00 0.00 C ATOM 772 CG PRO A 67 -10.374 -7.618 0.385 1.00 0.00 C ATOM 773 CD PRO A 67 -9.963 -6.254 -0.088 1.00 0.00 C ATOM 0 HA PRO A 67 -7.253 -7.147 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.168 -9.233 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.308 -7.888 2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.605 -8.270 -0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.271 -7.563 1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.457 -5.983 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.211 -5.481 0.640 1.00 0.00 H new ATOM 781 N TYR A 68 -6.166 -9.100 0.286 1.00 0.00 N ATOM 782 CA TYR A 68 -5.327 -10.094 -0.392 1.00 0.00 C ATOM 783 C TYR A 68 -4.236 -9.425 -1.229 1.00 0.00 C ATOM 784 O TYR A 68 -3.372 -10.102 -1.786 1.00 0.00 O ATOM 785 CB TYR A 68 -6.160 -11.035 -1.271 1.00 0.00 C ATOM 786 CG TYR A 68 -7.232 -11.782 -0.510 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.910 -12.873 0.287 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.564 -11.396 -0.586 1.00 0.00 C ATOM 789 CE1 TYR A 68 -7.884 -13.560 0.985 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.545 -12.078 0.109 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.201 -13.157 0.894 1.00 0.00 C ATOM 792 OH TYR A 68 -10.175 -13.838 1.588 1.00 0.00 O ATOM 0 H TYR A 68 -5.878 -8.901 1.244 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.851 -10.688 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.628 -10.456 -2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.496 -11.755 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.880 -13.190 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.838 -10.549 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.617 -14.408 1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.577 -11.767 0.037 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.048 -13.426 1.416 1.00 0.00 H new ATOM 802 N ASP A 69 -4.278 -8.095 -1.308 1.00 0.00 N ATOM 803 CA ASP A 69 -3.291 -7.332 -2.066 1.00 0.00 C ATOM 804 C ASP A 69 -1.877 -7.685 -1.621 1.00 0.00 C ATOM 805 O ASP A 69 -1.298 -7.019 -0.763 1.00 0.00 O ATOM 806 CB ASP A 69 -3.535 -5.832 -1.894 1.00 0.00 C ATOM 807 CG ASP A 69 -4.537 -5.288 -2.893 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.365 -6.078 -3.393 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.493 -4.072 -3.176 1.00 0.00 O ATOM 0 H ASP A 69 -4.990 -7.523 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.396 -7.590 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.894 -5.639 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.591 -5.299 -2.004 1.00 0.00 H new ATOM 814 N ARG A 70 -1.333 -8.742 -2.206 1.00 0.00 N ATOM 815 CA ARG A 70 0.007 -9.198 -1.869 1.00 0.00 C ATOM 816 C ARG A 70 1.064 -8.236 -2.403 1.00 0.00 C ATOM 817 O ARG A 70 1.397 -8.255 -3.588 1.00 0.00 O ATOM 818 CB ARG A 70 0.231 -10.601 -2.432 1.00 0.00 C ATOM 819 CG ARG A 70 1.641 -11.129 -2.230 1.00 0.00 C ATOM 820 CD ARG A 70 1.816 -12.505 -2.853 1.00 0.00 C ATOM 821 NE ARG A 70 3.222 -12.824 -3.091 1.00 0.00 N ATOM 822 CZ ARG A 70 3.639 -13.938 -3.688 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.763 -14.843 -4.110 1.00 0.00 N ATOM 824 NH2 ARG A 70 4.936 -14.148 -3.868 1.00 0.00 N ATOM 0 H ARG A 70 -1.801 -9.302 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 70 0.100 -9.228 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.474 -11.287 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.006 -10.594 -3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.357 -10.435 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.862 -11.180 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.380 -13.258 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.270 -12.548 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 70 3.925 -12.153 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.764 -14.686 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.089 -15.695 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.614 -13.456 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.256 -15.002 -4.326 1.00 0.00 H new ATOM 838 N LEU A 71 1.586 -7.397 -1.514 1.00 0.00 N ATOM 839 CA LEU A 71 2.606 -6.424 -1.886 1.00 0.00 C ATOM 840 C LEU A 71 3.836 -7.117 -2.461 1.00 0.00 C ATOM 841 O LEU A 71 4.600 -7.750 -1.733 1.00 0.00 O ATOM 842 CB LEU A 71 3.006 -5.592 -0.667 1.00 0.00 C ATOM 843 CG LEU A 71 1.837 -4.985 0.116 1.00 0.00 C ATOM 844 CD1 LEU A 71 2.011 -5.224 1.607 1.00 0.00 C ATOM 845 CD2 LEU A 71 1.708 -3.497 -0.178 1.00 0.00 C ATOM 0 H LEU A 71 1.319 -7.372 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 71 2.188 -5.769 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.588 -6.220 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.661 -4.785 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 71 0.919 -5.477 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.171 -4.786 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.048 -6.296 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.939 -4.762 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.872 -3.085 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.628 -2.988 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.532 -3.351 -1.244 1.00 0.00 H new ATOM 857 N LEU A 72 4.027 -6.993 -3.771 1.00 0.00 N ATOM 858 CA LEU A 72 5.170 -7.609 -4.430 1.00 0.00 C ATOM 859 C LEU A 72 6.414 -6.737 -4.289 1.00 0.00 C ATOM 860 O LEU A 72 7.386 -7.124 -3.642 1.00 0.00 O ATOM 861 CB LEU A 72 4.876 -7.857 -5.914 1.00 0.00 C ATOM 862 CG LEU A 72 3.554 -8.569 -6.226 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.593 -9.145 -7.635 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.260 -9.672 -5.216 1.00 0.00 C ATOM 0 H LEU A 72 3.407 -6.474 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 72 5.356 -8.567 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.880 -6.897 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.691 -8.447 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 72 2.753 -7.833 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.650 -9.649 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.744 -8.339 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.412 -9.860 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.316 -10.154 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.062 -10.410 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.192 -9.242 -4.217 1.00 0.00 H new ATOM 876 N GLN A 73 6.373 -5.558 -4.901 1.00 0.00 N ATOM 877 CA GLN A 73 7.495 -4.628 -4.845 1.00 0.00 C ATOM 878 C GLN A 73 7.078 -3.311 -4.199 1.00 0.00 C ATOM 879 O GLN A 73 6.096 -2.690 -4.607 1.00 0.00 O ATOM 880 CB GLN A 73 8.045 -4.371 -6.248 1.00 0.00 C ATOM 881 CG GLN A 73 6.967 -4.126 -7.291 1.00 0.00 C ATOM 882 CD GLN A 73 7.541 -3.794 -8.654 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.908 -4.686 -9.420 1.00 0.00 O ATOM 884 NE2 GLN A 73 7.624 -2.506 -8.964 1.00 0.00 N ATOM 0 H GLN A 73 5.575 -5.224 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 73 8.277 -5.079 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.710 -3.508 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.647 -5.226 -6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.337 -5.012 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.327 -3.308 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.308 -1.800 -8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.004 -2.222 -9.867 1.00 0.00 H new ATOM 893 N VAL A 74 7.831 -2.889 -3.189 1.00 0.00 N ATOM 894 CA VAL A 74 7.545 -1.647 -2.484 1.00 0.00 C ATOM 895 C VAL A 74 8.715 -0.674 -2.589 1.00 0.00 C ATOM 896 O VAL A 74 9.737 -0.844 -1.926 1.00 0.00 O ATOM 897 CB VAL A 74 7.239 -1.904 -0.997 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.819 -0.618 -0.302 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.165 -2.973 -0.853 1.00 0.00 C ATOM 0 H VAL A 74 8.647 -3.392 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 74 6.667 -1.209 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 74 8.148 -2.264 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.608 -0.824 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.624 0.114 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.924 -0.221 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.960 -3.143 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.253 -2.642 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.511 -3.900 -1.309 1.00 0.00 H new ATOM 909 N ASN A 75 8.559 0.345 -3.428 1.00 0.00 N ATOM 910 CA ASN A 75 9.603 1.344 -3.619 1.00 0.00 C ATOM 911 C ASN A 75 10.846 0.714 -4.241 1.00 0.00 C ATOM 912 O ASN A 75 11.972 1.077 -3.905 1.00 0.00 O ATOM 913 CB ASN A 75 9.957 2.007 -2.283 1.00 0.00 C ATOM 914 CG ASN A 75 9.691 3.500 -2.292 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.813 4.158 -3.324 1.00 0.00 O ATOM 916 ND2 ASN A 75 9.324 4.042 -1.136 1.00 0.00 N ATOM 0 H ASN A 75 7.720 0.500 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 75 9.226 2.107 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.378 1.542 -1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.009 1.829 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.131 5.042 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.235 3.458 -0.304 1.00 0.00 H new ATOM 923 N HIS A 76 10.625 -0.238 -5.152 1.00 0.00 N ATOM 924 CA HIS A 76 11.711 -0.941 -5.840 1.00 0.00 C ATOM 925 C HIS A 76 12.178 -2.163 -5.048 1.00 0.00 C ATOM 926 O HIS A 76 12.880 -3.022 -5.579 1.00 0.00 O ATOM 927 CB HIS A 76 12.898 -0.006 -6.103 1.00 0.00 C ATOM 928 CG HIS A 76 13.553 -0.232 -7.429 1.00 0.00 C ATOM 929 ND1 HIS A 76 12.865 -0.199 -8.626 1.00 0.00 N ATOM 930 CD2 HIS A 76 14.844 -0.496 -7.747 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.703 -0.434 -9.619 1.00 0.00 C ATOM 932 NE2 HIS A 76 14.908 -0.616 -9.113 1.00 0.00 N ATOM 0 H HIS A 76 9.693 -0.542 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 76 11.315 -1.281 -6.797 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.556 1.027 -6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.638 -0.140 -5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.668 -0.594 -7.055 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.446 -0.471 -10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.752 -0.814 -9.651 1.00 0.00 H new ATOM 941 N VAL A 77 11.785 -2.240 -3.778 1.00 0.00 N ATOM 942 CA VAL A 77 12.168 -3.362 -2.929 1.00 0.00 C ATOM 943 C VAL A 77 11.230 -4.547 -3.133 1.00 0.00 C ATOM 944 O VAL A 77 10.045 -4.476 -2.808 1.00 0.00 O ATOM 945 CB VAL A 77 12.164 -2.970 -1.440 1.00 0.00 C ATOM 946 CG1 VAL A 77 12.756 -4.085 -0.592 1.00 0.00 C ATOM 947 CG2 VAL A 77 12.922 -1.668 -1.229 1.00 0.00 C ATOM 0 H VAL A 77 11.203 -1.540 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 77 13.180 -3.646 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 77 11.131 -2.817 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.745 -3.789 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.165 -4.992 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 13.783 -4.274 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.909 -1.407 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 77 13.953 -1.790 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.448 -0.873 -1.805 1.00 0.00 H new ATOM 957 N ARG A 78 11.766 -5.636 -3.673 1.00 0.00 N ATOM 958 CA ARG A 78 10.973 -6.835 -3.918 1.00 0.00 C ATOM 959 C ARG A 78 10.573 -7.498 -2.604 1.00 0.00 C ATOM 960 O ARG A 78 11.263 -8.388 -2.110 1.00 0.00 O ATOM 961 CB ARG A 78 11.758 -7.823 -4.783 1.00 0.00 C ATOM 962 CG ARG A 78 11.696 -7.510 -6.269 1.00 0.00 C ATOM 963 CD ARG A 78 11.443 -8.762 -7.095 1.00 0.00 C ATOM 964 NE ARG A 78 12.228 -8.774 -8.327 1.00 0.00 N ATOM 965 CZ ARG A 78 12.163 -9.744 -9.236 1.00 0.00 C ATOM 966 NH1 ARG A 78 11.354 -10.780 -9.055 1.00 0.00 N ATOM 967 NH2 ARG A 78 12.911 -9.678 -10.330 1.00 0.00 N ATOM 0 H ARG A 78 12.745 -5.713 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 78 10.067 -6.540 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.800 -7.825 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.371 -8.828 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.905 -6.784 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.632 -7.049 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.687 -9.643 -6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.383 -8.826 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 78 12.862 -7.994 -8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.777 -10.836 -8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.309 -11.520 -9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.535 -8.884 -10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.862 -10.421 -11.027 1.00 0.00 H new ATOM 981 N THR A 79 9.452 -7.055 -2.043 1.00 0.00 N ATOM 982 CA THR A 79 8.958 -7.604 -0.783 1.00 0.00 C ATOM 983 C THR A 79 7.916 -8.690 -1.028 1.00 0.00 C ATOM 984 O THR A 79 6.992 -8.866 -0.235 1.00 0.00 O ATOM 985 CB THR A 79 8.359 -6.494 0.081 1.00 0.00 C ATOM 986 OG1 THR A 79 7.088 -6.108 -0.409 1.00 0.00 O ATOM 987 CG2 THR A 79 9.222 -5.252 0.145 1.00 0.00 C ATOM 0 H THR A 79 8.869 -6.318 -2.440 1.00 0.00 H new ATOM 0 HA THR A 79 9.802 -8.051 -0.258 1.00 0.00 H new ATOM 0 HB THR A 79 8.285 -6.917 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.652 -5.518 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.738 -4.505 0.774 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.195 -5.506 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.355 -4.850 -0.859 1.00 0.00 H new ATOM 995 N ARG A 80 8.070 -9.418 -2.130 1.00 0.00 N ATOM 996 CA ARG A 80 7.140 -10.488 -2.473 1.00 0.00 C ATOM 997 C ARG A 80 7.226 -11.626 -1.461 1.00 0.00 C ATOM 998 O ARG A 80 6.216 -12.042 -0.892 1.00 0.00 O ATOM 999 CB ARG A 80 7.432 -11.014 -3.880 1.00 0.00 C ATOM 1000 CG ARG A 80 6.609 -10.337 -4.964 1.00 0.00 C ATOM 1001 CD ARG A 80 6.823 -10.990 -6.319 1.00 0.00 C ATOM 1002 NE ARG A 80 6.232 -12.324 -6.382 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.570 -13.243 -7.284 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.492 -12.976 -8.201 1.00 0.00 N ATOM 1005 NH2 ARG A 80 5.983 -14.432 -7.273 1.00 0.00 N ATOM 0 H ARG A 80 8.828 -9.287 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 80 6.129 -10.081 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.491 -10.875 -4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.239 -12.087 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.552 -10.382 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.879 -9.282 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.387 -10.363 -7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.891 -11.056 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 80 5.518 -12.566 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.946 -12.063 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.747 -13.684 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.272 -14.643 -6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.243 -15.135 -7.965 1.00 0.00 H new ATOM 1019 N ASP A 81 8.438 -12.124 -1.239 1.00 0.00 N ATOM 1020 CA ASP A 81 8.656 -13.213 -0.292 1.00 0.00 C ATOM 1021 C ASP A 81 9.022 -12.677 1.091 1.00 0.00 C ATOM 1022 O ASP A 81 9.635 -13.381 1.894 1.00 0.00 O ATOM 1023 CB ASP A 81 9.761 -14.141 -0.800 1.00 0.00 C ATOM 1024 CG ASP A 81 11.077 -13.417 -1.004 1.00 0.00 C ATOM 1025 OD1 ASP A 81 11.622 -12.886 -0.013 1.00 0.00 O ATOM 1026 OD2 ASP A 81 11.562 -13.379 -2.154 1.00 0.00 O ATOM 0 H ASP A 81 9.284 -11.791 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 81 7.726 -13.774 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.904 -14.954 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.448 -14.592 -1.742 1.00 0.00 H new ATOM 1031 N PHE A 82 8.645 -11.431 1.363 1.00 0.00 N ATOM 1032 CA PHE A 82 8.937 -10.809 2.647 1.00 0.00 C ATOM 1033 C PHE A 82 7.914 -11.224 3.697 1.00 0.00 C ATOM 1034 O PHE A 82 6.873 -11.798 3.375 1.00 0.00 O ATOM 1035 CB PHE A 82 8.944 -9.285 2.506 1.00 0.00 C ATOM 1036 CG PHE A 82 10.289 -8.715 2.154 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.153 -9.400 1.314 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.689 -7.492 2.666 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.389 -8.875 0.990 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.925 -6.962 2.347 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.775 -7.654 1.508 1.00 0.00 C ATOM 0 H PHE A 82 8.137 -10.834 0.711 1.00 0.00 H new ATOM 0 HA PHE A 82 9.922 -11.145 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.226 -8.997 1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.605 -8.841 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.856 -10.356 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.027 -6.946 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.052 -9.418 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.225 -6.008 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.741 -7.241 1.257 1.00 0.00 H new ATOM 1051 N ASP A 83 8.214 -10.923 4.956 1.00 0.00 N ATOM 1052 CA ASP A 83 7.318 -11.256 6.055 1.00 0.00 C ATOM 1053 C ASP A 83 6.639 -10.000 6.585 1.00 0.00 C ATOM 1054 O ASP A 83 7.111 -8.886 6.353 1.00 0.00 O ATOM 1055 CB ASP A 83 8.089 -11.949 7.180 1.00 0.00 C ATOM 1056 CG ASP A 83 8.754 -13.231 6.721 1.00 0.00 C ATOM 1057 OD1 ASP A 83 9.677 -13.155 5.883 1.00 0.00 O ATOM 1058 OD2 ASP A 83 8.351 -14.313 7.200 1.00 0.00 O ATOM 0 H ASP A 83 9.071 -10.449 5.240 1.00 0.00 H new ATOM 0 HA ASP A 83 6.554 -11.938 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.847 -11.269 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.407 -12.171 8.001 1.00 0.00 H new ATOM 1063 N CYS A 84 5.532 -10.179 7.297 1.00 0.00 N ATOM 1064 CA CYS A 84 4.795 -9.049 7.854 1.00 0.00 C ATOM 1065 C CYS A 84 5.727 -8.135 8.644 1.00 0.00 C ATOM 1066 O CYS A 84 5.631 -6.913 8.555 1.00 0.00 O ATOM 1067 CB CYS A 84 3.661 -9.543 8.753 1.00 0.00 C ATOM 1068 SG CYS A 84 2.305 -8.363 8.944 1.00 0.00 S ATOM 0 H CYS A 84 5.126 -11.092 7.502 1.00 0.00 H new ATOM 0 HA CYS A 84 4.368 -8.480 7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.265 -10.472 8.343 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.067 -9.776 9.737 1.00 0.00 H new ATOM 0 HG CYS A 84 1.326 -8.695 8.155 1.00 0.00 H new ATOM 1074 N CYS A 85 6.628 -8.738 9.409 1.00 0.00 N ATOM 1075 CA CYS A 85 7.577 -7.981 10.209 1.00 0.00 C ATOM 1076 C CYS A 85 8.493 -7.138 9.323 1.00 0.00 C ATOM 1077 O CYS A 85 9.047 -6.134 9.766 1.00 0.00 O ATOM 1078 CB CYS A 85 8.411 -8.920 11.079 1.00 0.00 C ATOM 1079 SG CYS A 85 9.187 -10.276 10.170 1.00 0.00 S ATOM 0 H CYS A 85 6.720 -9.751 9.491 1.00 0.00 H new ATOM 0 HA CYS A 85 7.010 -7.310 10.854 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.188 -8.341 11.579 1.00 0.00 H new ATOM 0 HB3 CYS A 85 7.774 -9.337 11.858 1.00 0.00 H new ATOM 0 HG CYS A 85 9.872 -11.013 10.992 1.00 0.00 H new ATOM 1085 N LEU A 86 8.650 -7.556 8.068 1.00 0.00 N ATOM 1086 CA LEU A 86 9.499 -6.841 7.123 1.00 0.00 C ATOM 1087 C LEU A 86 8.682 -5.852 6.294 1.00 0.00 C ATOM 1088 O LEU A 86 9.182 -4.799 5.888 1.00 0.00 O ATOM 1089 CB LEU A 86 10.213 -7.831 6.198 1.00 0.00 C ATOM 1090 CG LEU A 86 11.609 -8.255 6.662 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.547 -9.592 7.385 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.564 -8.331 5.479 1.00 0.00 C ATOM 0 H LEU A 86 8.199 -8.387 7.684 1.00 0.00 H new ATOM 0 HA LEU A 86 10.242 -6.282 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.594 -8.722 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.295 -7.385 5.207 1.00 0.00 H new ATOM 0 HG LEU A 86 11.983 -7.505 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.548 -9.878 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.896 -9.505 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.152 -10.352 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.551 -8.634 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.194 -9.061 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.632 -7.353 5.002 1.00 0.00 H new ATOM 1104 N VAL A 87 7.420 -6.192 6.054 1.00 0.00 N ATOM 1105 CA VAL A 87 6.535 -5.337 5.278 1.00 0.00 C ATOM 1106 C VAL A 87 6.004 -4.181 6.120 1.00 0.00 C ATOM 1107 O VAL A 87 5.827 -3.072 5.618 1.00 0.00 O ATOM 1108 CB VAL A 87 5.349 -6.136 4.701 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.494 -5.256 3.802 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.852 -7.355 3.942 1.00 0.00 C ATOM 0 H VAL A 87 6.989 -7.054 6.387 1.00 0.00 H new ATOM 0 HA VAL A 87 7.124 -4.934 4.454 1.00 0.00 H new ATOM 0 HB VAL A 87 4.727 -6.478 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.663 -5.839 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.105 -4.416 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.100 -4.881 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.004 -7.909 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.496 -7.034 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.417 -7.997 4.618 1.00 0.00 H new ATOM 1120 N VAL A 88 5.749 -4.441 7.400 1.00 0.00 N ATOM 1121 CA VAL A 88 5.237 -3.407 8.290 1.00 0.00 C ATOM 1122 C VAL A 88 6.187 -2.208 8.336 1.00 0.00 C ATOM 1123 O VAL A 88 5.764 -1.068 8.137 1.00 0.00 O ATOM 1124 CB VAL A 88 4.995 -3.938 9.721 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.508 -2.822 10.637 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.996 -5.085 9.698 1.00 0.00 C ATOM 0 H VAL A 88 5.888 -5.351 7.840 1.00 0.00 H new ATOM 0 HA VAL A 88 4.277 -3.089 7.883 1.00 0.00 H new ATOM 0 HB VAL A 88 5.941 -4.310 10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.344 -3.219 11.639 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.258 -2.032 10.678 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.573 -2.416 10.250 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.836 -5.448 10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.050 -4.735 9.284 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.385 -5.894 9.080 1.00 0.00 H new ATOM 1136 N PRO A 89 7.490 -2.445 8.583 1.00 0.00 N ATOM 1137 CA PRO A 89 8.487 -1.374 8.633 1.00 0.00 C ATOM 1138 C PRO A 89 8.724 -0.767 7.257 1.00 0.00 C ATOM 1139 O PRO A 89 8.751 0.455 7.104 1.00 0.00 O ATOM 1140 CB PRO A 89 9.761 -2.071 9.138 1.00 0.00 C ATOM 1141 CG PRO A 89 9.316 -3.410 9.627 1.00 0.00 C ATOM 1142 CD PRO A 89 8.101 -3.757 8.818 1.00 0.00 C ATOM 0 HA PRO A 89 8.169 -0.550 9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.497 -2.169 8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.232 -1.498 9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.100 -4.155 9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.082 -3.380 10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.364 -4.255 7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.431 -4.426 9.359 1.00 0.00 H new ATOM 1150 N LEU A 90 8.887 -1.627 6.250 1.00 0.00 N ATOM 1151 CA LEU A 90 9.110 -1.167 4.888 1.00 0.00 C ATOM 1152 C LEU A 90 7.998 -0.217 4.455 1.00 0.00 C ATOM 1153 O LEU A 90 8.228 0.723 3.694 1.00 0.00 O ATOM 1154 CB LEU A 90 9.187 -2.355 3.928 1.00 0.00 C ATOM 1155 CG LEU A 90 10.505 -3.130 3.965 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.335 -4.501 3.331 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.603 -2.346 3.262 1.00 0.00 C ATOM 0 H LEU A 90 8.868 -2.641 6.356 1.00 0.00 H new ATOM 0 HA LEU A 90 10.059 -0.631 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.372 -3.042 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.023 -1.994 2.913 1.00 0.00 H new ATOM 0 HG LEU A 90 10.795 -3.268 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.283 -5.038 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.578 -5.064 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.022 -4.386 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.534 -2.912 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.321 -2.177 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.742 -1.387 3.761 1.00 0.00 H new ATOM 1169 N ILE A 91 6.793 -0.466 4.958 1.00 0.00 N ATOM 1170 CA ILE A 91 5.642 0.367 4.638 1.00 0.00 C ATOM 1171 C ILE A 91 5.740 1.712 5.355 1.00 0.00 C ATOM 1172 O ILE A 91 5.531 2.765 4.751 1.00 0.00 O ATOM 1173 CB ILE A 91 4.317 -0.339 5.021 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.019 -1.468 4.031 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.155 0.649 5.066 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.913 -2.396 4.484 1.00 0.00 C ATOM 0 H ILE A 91 6.589 -1.240 5.590 1.00 0.00 H new ATOM 0 HA ILE A 91 5.643 0.536 3.561 1.00 0.00 H new ATOM 0 HB ILE A 91 4.434 -0.761 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.746 -1.034 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.927 -2.049 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.240 0.122 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.363 1.421 5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.031 1.110 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.757 -3.170 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.192 -2.859 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.992 -1.828 4.615 1.00 0.00 H new ATOM 1188 N ALA A 92 6.058 1.670 6.645 1.00 0.00 N ATOM 1189 CA ALA A 92 6.181 2.880 7.441 1.00 0.00 C ATOM 1190 C ALA A 92 7.480 3.627 7.143 1.00 0.00 C ATOM 1191 O ALA A 92 7.715 4.710 7.679 1.00 0.00 O ATOM 1192 CB ALA A 92 6.091 2.548 8.922 1.00 0.00 C ATOM 0 H ALA A 92 6.235 0.807 7.160 1.00 0.00 H new ATOM 0 HA ALA A 92 5.355 3.537 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.185 3.463 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.129 2.080 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.895 1.862 9.191 1.00 0.00 H new ATOM 1198 N GLU A 93 8.324 3.048 6.292 1.00 0.00 N ATOM 1199 CA GLU A 93 9.598 3.669 5.941 1.00 0.00 C ATOM 1200 C GLU A 93 9.536 4.337 4.567 1.00 0.00 C ATOM 1201 O GLU A 93 10.473 5.023 4.160 1.00 0.00 O ATOM 1202 CB GLU A 93 10.719 2.629 5.964 1.00 0.00 C ATOM 1203 CG GLU A 93 11.431 2.536 7.304 1.00 0.00 C ATOM 1204 CD GLU A 93 12.903 2.891 7.209 1.00 0.00 C ATOM 1205 OE1 GLU A 93 13.212 4.050 6.861 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.745 2.012 7.485 1.00 0.00 O ATOM 0 H GLU A 93 8.149 2.153 5.835 1.00 0.00 H new ATOM 0 HA GLU A 93 9.806 4.440 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.304 1.653 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.447 2.874 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.945 3.203 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.330 1.524 7.695 1.00 0.00 H new ATOM 1213 N SER A 94 8.432 4.133 3.856 1.00 0.00 N ATOM 1214 CA SER A 94 8.259 4.718 2.530 1.00 0.00 C ATOM 1215 C SER A 94 8.212 6.243 2.597 1.00 0.00 C ATOM 1216 O SER A 94 8.371 6.924 1.585 1.00 0.00 O ATOM 1217 CB SER A 94 6.983 4.186 1.877 1.00 0.00 C ATOM 1218 OG SER A 94 5.862 4.980 2.221 1.00 0.00 O ATOM 0 H SER A 94 7.645 3.568 4.174 1.00 0.00 H new ATOM 0 HA SER A 94 9.119 4.430 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.104 4.173 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.813 3.156 2.191 1.00 0.00 H new ATOM 0 HG SER A 94 5.932 5.853 1.781 1.00 0.00 H new ATOM 1224 N GLY A 95 7.988 6.769 3.794 1.00 0.00 N ATOM 1225 CA GLY A 95 7.919 8.207 3.972 1.00 0.00 C ATOM 1226 C GLY A 95 6.498 8.729 3.878 1.00 0.00 C ATOM 1227 O GLY A 95 5.557 8.067 4.316 1.00 0.00 O ATOM 0 H GLY A 95 7.853 6.225 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.338 8.472 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.534 8.695 3.216 1.00 0.00 H new ATOM 1231 N ASN A 96 6.342 9.917 3.304 1.00 0.00 N ATOM 1232 CA ASN A 96 5.023 10.524 3.154 1.00 0.00 C ATOM 1233 C ASN A 96 4.217 9.844 2.046 1.00 0.00 C ATOM 1234 O ASN A 96 3.027 10.111 1.884 1.00 0.00 O ATOM 1235 CB ASN A 96 5.161 12.017 2.854 1.00 0.00 C ATOM 1236 CG ASN A 96 5.636 12.807 4.057 1.00 0.00 C ATOM 1237 OD1 ASN A 96 4.833 13.366 4.804 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.949 12.857 4.250 1.00 0.00 N ATOM 0 H ASN A 96 7.110 10.478 2.936 1.00 0.00 H new ATOM 0 HA ASN A 96 4.487 10.391 4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.863 12.156 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.199 12.409 2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.329 13.374 5.043 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.578 12.378 3.605 1.00 0.00 H new ATOM 1245 N LYS A 97 4.867 8.965 1.286 1.00 0.00 N ATOM 1246 CA LYS A 97 4.199 8.257 0.199 1.00 0.00 C ATOM 1247 C LYS A 97 4.687 6.815 0.106 1.00 0.00 C ATOM 1248 O LYS A 97 5.869 6.537 0.299 1.00 0.00 O ATOM 1249 CB LYS A 97 4.443 8.973 -1.130 1.00 0.00 C ATOM 1250 CG LYS A 97 3.626 10.243 -1.296 1.00 0.00 C ATOM 1251 CD LYS A 97 3.993 10.978 -2.574 1.00 0.00 C ATOM 1252 CE LYS A 97 3.428 10.280 -3.799 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.437 11.163 -4.997 1.00 0.00 N ATOM 0 H LYS A 97 5.852 8.727 1.403 1.00 0.00 H new ATOM 0 HA LYS A 97 3.130 8.248 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.502 9.219 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.210 8.292 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.565 9.995 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.790 10.897 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.615 11.999 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.078 11.043 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.011 9.382 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.407 9.957 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.043 10.648 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.860 12.008 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.414 11.451 -5.209 1.00 0.00 H new ATOM 1267 N LEU A 98 3.769 5.900 -0.192 1.00 0.00 N ATOM 1268 CA LEU A 98 4.113 4.488 -0.311 1.00 0.00 C ATOM 1269 C LEU A 98 3.808 3.961 -1.709 1.00 0.00 C ATOM 1270 O LEU A 98 2.674 3.584 -2.004 1.00 0.00 O ATOM 1271 CB LEU A 98 3.348 3.657 0.728 1.00 0.00 C ATOM 1272 CG LEU A 98 4.182 2.613 1.478 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.273 1.596 2.147 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.153 1.916 0.536 1.00 0.00 C ATOM 0 H LEU A 98 2.784 6.111 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 98 5.184 4.395 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.906 4.336 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.525 3.148 0.226 1.00 0.00 H new ATOM 0 HG LEU A 98 4.762 3.126 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.878 0.860 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.618 2.104 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.670 1.094 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.734 1.180 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.596 1.416 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.826 2.652 0.097 1.00 0.00 H new ATOM 1286 N ASP A 99 4.826 3.918 -2.559 1.00 0.00 N ATOM 1287 CA ASP A 99 4.662 3.411 -3.917 1.00 0.00 C ATOM 1288 C ASP A 99 4.976 1.922 -3.949 1.00 0.00 C ATOM 1289 O ASP A 99 6.092 1.511 -3.632 1.00 0.00 O ATOM 1290 CB ASP A 99 5.577 4.164 -4.886 1.00 0.00 C ATOM 1291 CG ASP A 99 5.449 5.668 -4.754 1.00 0.00 C ATOM 1292 OD1 ASP A 99 6.192 6.259 -3.944 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.603 6.256 -5.462 1.00 0.00 O ATOM 0 H ASP A 99 5.772 4.227 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 99 3.629 3.567 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.612 3.873 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.339 3.871 -5.908 1.00 0.00 H new ATOM 1298 N LEU A 100 3.989 1.113 -4.313 1.00 0.00 N ATOM 1299 CA LEU A 100 4.184 -0.333 -4.354 1.00 0.00 C ATOM 1300 C LEU A 100 3.281 -1.004 -5.381 1.00 0.00 C ATOM 1301 O LEU A 100 2.279 -0.439 -5.818 1.00 0.00 O ATOM 1302 CB LEU A 100 3.912 -0.929 -2.973 1.00 0.00 C ATOM 1303 CG LEU A 100 2.619 -0.450 -2.308 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.488 -1.428 -2.581 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.820 -0.268 -0.810 1.00 0.00 C ATOM 0 H LEU A 100 3.056 1.427 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 100 5.217 -0.516 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.877 -2.015 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.750 -0.690 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 100 2.351 0.516 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.576 -1.073 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.326 -1.506 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.750 -2.408 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.889 0.073 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.114 -1.218 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.601 0.472 -0.635 1.00 0.00 H new ATOM 1317 N VAL A 101 3.644 -2.233 -5.744 1.00 0.00 N ATOM 1318 CA VAL A 101 2.877 -3.019 -6.701 1.00 0.00 C ATOM 1319 C VAL A 101 2.430 -4.326 -6.060 1.00 0.00 C ATOM 1320 O VAL A 101 3.244 -5.213 -5.805 1.00 0.00 O ATOM 1321 CB VAL A 101 3.704 -3.328 -7.962 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.851 -4.037 -9.004 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.303 -2.050 -8.532 1.00 0.00 C ATOM 0 H VAL A 101 4.473 -2.707 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 101 2.006 -2.432 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 101 4.521 -3.994 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.455 -4.246 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.476 -4.973 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.011 -3.400 -9.281 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.885 -2.287 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.502 -1.358 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.952 -1.589 -7.787 1.00 0.00 H new ATOM 1333 N ILE A 102 1.134 -4.437 -5.791 1.00 0.00 N ATOM 1334 CA ILE A 102 0.585 -5.633 -5.167 1.00 0.00 C ATOM 1335 C ILE A 102 -0.084 -6.538 -6.195 1.00 0.00 C ATOM 1336 O ILE A 102 -0.294 -6.143 -7.340 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.446 -5.267 -4.079 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.654 -4.570 -4.711 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.189 -4.380 -3.014 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.712 -5.533 -5.206 1.00 0.00 C ATOM 0 H ILE A 102 0.445 -3.713 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 102 1.421 -6.165 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.785 -6.184 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.100 -3.897 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.314 -3.955 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.554 -4.133 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.020 -4.909 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.555 -3.463 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.539 -4.972 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.281 -6.190 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.079 -6.131 -4.372 1.00 0.00 H new ATOM 1352 N SER A 103 -0.421 -7.751 -5.772 1.00 0.00 N ATOM 1353 CA SER A 103 -1.074 -8.716 -6.648 1.00 0.00 C ATOM 1354 C SER A 103 -2.060 -9.573 -5.861 1.00 0.00 C ATOM 1355 O SER A 103 -1.707 -10.147 -4.830 1.00 0.00 O ATOM 1356 CB SER A 103 -0.032 -9.605 -7.328 1.00 0.00 C ATOM 1357 OG SER A 103 -0.049 -9.428 -8.734 1.00 0.00 O ATOM 0 H SER A 103 -0.252 -8.090 -4.825 1.00 0.00 H new ATOM 0 HA SER A 103 -1.624 -8.168 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.959 -9.370 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.228 -10.650 -7.088 1.00 0.00 H new ATOM 0 HG SER A 103 0.627 -10.006 -9.145 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.294 -9.654 -6.345 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.320 -10.446 -5.670 1.00 0.00 C ATOM 1365 C ARG A 104 -5.324 -11.022 -6.663 1.00 0.00 C ATOM 1366 O ARG A 104 -5.564 -10.450 -7.726 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.047 -9.593 -4.627 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.854 -8.451 -5.225 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.168 -8.246 -4.485 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.324 -8.427 -5.360 1.00 0.00 N ATOM 1371 CZ ARG A 104 -9.556 -8.670 -4.920 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.798 -8.760 -3.619 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -10.549 -8.821 -5.785 1.00 0.00 N ATOM 0 H ARG A 104 -3.609 -9.186 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.823 -11.278 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.713 -10.233 -4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.315 -9.183 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.268 -7.533 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.056 -8.659 -6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.229 -8.948 -3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.191 -7.244 -4.057 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.178 -8.363 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.037 -8.643 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.745 -8.946 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.368 -8.751 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.494 -9.007 -5.449 1.00 0.00 H new ATOM 1387 N ASN A 105 -5.907 -12.162 -6.303 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.888 -12.827 -7.152 1.00 0.00 C ATOM 1389 C ASN A 105 -8.122 -11.948 -7.354 1.00 0.00 C ATOM 1390 O ASN A 105 -8.849 -11.661 -6.401 1.00 0.00 O ATOM 1391 CB ASN A 105 -7.301 -14.163 -6.531 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.662 -14.030 -5.066 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -8.807 -13.737 -4.721 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -6.685 -14.247 -4.195 1.00 0.00 N ATOM 0 H ASN A 105 -5.715 -12.645 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.429 -13.006 -8.124 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.153 -14.567 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.486 -14.878 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.868 -14.173 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.751 -14.488 -4.526 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.381 -11.504 -8.600 1.00 0.00 N ATOM 1402 CA PRO A 106 -9.536 -10.655 -8.910 1.00 0.00 C ATOM 1403 C PRO A 106 -10.855 -11.416 -8.815 1.00 0.00 C ATOM 1404 O PRO A 106 -10.813 -12.662 -8.738 1.00 0.00 O ATOM 1405 CB PRO A 106 -9.276 -10.214 -10.351 1.00 0.00 C ATOM 1406 CG PRO A 106 -8.431 -11.295 -10.928 1.00 0.00 C ATOM 1407 CD PRO A 106 -7.572 -11.795 -9.799 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.917 -10.760 -8.819 1.00 0.00 O ATOM 0 HA PRO A 106 -9.634 -9.827 -8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.208 -10.101 -10.905 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.766 -9.251 -10.385 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.047 -12.097 -11.335 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.819 -10.917 -11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.363 -12.861 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.610 -11.283 -9.769 1.00 0.00 H new TER 1416 PRO A 106