USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 897 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 36 HIS : +bothHN:sc= 0.57 K(o=0.57,f=-1.9) USER MOD Set 1.2: A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0731 (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 9 SER OG : rot 180:sc= -0.686 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0021) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= -0.149 (180deg=-0.754) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.387) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00449 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.76!) USER MOD Single : A 40 TYR OH : rot -39:sc= -0.896 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=-0.14) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 22:sc= 0.914 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 67 THR OG1 : rot -150:sc= 0.0161 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0177 (180deg=-0.225) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -160:sc= -0.248! USER MOD Single : A 85 THR OG1 : rot 120:sc= -1.09 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.3!) USER MOD Single : A 92 CYS SG : rot 116:sc= -2.06! USER MOD Single : A 94 GLN : amide:sc=-0.00552 X(o=-0.0055,f=0) USER MOD Single : A 98 SER OG : rot -170:sc= -0.204 USER MOD Single : A 100 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.3) USER MOD Single : A 101 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 107 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.2!) USER MOD Single : A 108 SER OG : rot -31:sc= 0.253 USER MOD Single : A 109 CYS SG : rot -73:sc= -1.48 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.383 -16.762 -1.737 1.00 0.00 N ATOM 2 CA GLY A 1 -8.606 -16.451 -3.139 1.00 0.00 C ATOM 3 C GLY A 1 -8.031 -17.545 -4.041 1.00 0.00 C ATOM 4 O GLY A 1 -7.686 -18.627 -3.568 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.293 -16.766 -1.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.938 -17.699 -1.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.758 -16.044 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.675 -16.345 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.143 -15.494 -3.381 1.00 0.00 H new ATOM 8 N SER A 2 -7.945 -17.225 -5.324 1.00 0.00 N ATOM 9 CA SER A 2 -7.418 -18.167 -6.297 1.00 0.00 C ATOM 10 C SER A 2 -6.645 -17.418 -7.385 1.00 0.00 C ATOM 11 O SER A 2 -5.521 -17.789 -7.720 1.00 0.00 O ATOM 12 CB SER A 2 -8.539 -19.001 -6.920 1.00 0.00 C ATOM 13 OG SER A 2 -9.670 -18.204 -7.260 1.00 0.00 O ATOM 0 H SER A 2 -8.231 -16.326 -5.712 1.00 0.00 H new ATOM 0 HA SER A 2 -6.740 -18.847 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.166 -19.501 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.842 -19.781 -6.222 1.00 0.00 H new ATOM 0 HG SER A 2 -10.363 -18.772 -7.656 1.00 0.00 H new ATOM 19 N SER A 3 -7.279 -16.378 -7.906 1.00 0.00 N ATOM 20 CA SER A 3 -6.665 -15.574 -8.949 1.00 0.00 C ATOM 21 C SER A 3 -6.161 -14.253 -8.364 1.00 0.00 C ATOM 22 O SER A 3 -6.624 -13.821 -7.309 1.00 0.00 O ATOM 23 CB SER A 3 -7.649 -15.308 -10.090 1.00 0.00 C ATOM 24 OG SER A 3 -8.751 -14.509 -9.669 1.00 0.00 O ATOM 0 H SER A 3 -8.211 -16.074 -7.626 1.00 0.00 H new ATOM 0 HA SER A 3 -5.820 -16.129 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.130 -14.808 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.017 -16.257 -10.480 1.00 0.00 H new ATOM 0 HG SER A 3 -9.355 -14.360 -10.426 1.00 0.00 H new ATOM 30 N GLY A 4 -5.219 -13.649 -9.074 1.00 0.00 N ATOM 31 CA GLY A 4 -4.648 -12.387 -8.638 1.00 0.00 C ATOM 32 C GLY A 4 -3.119 -12.433 -8.681 1.00 0.00 C ATOM 33 O GLY A 4 -2.491 -11.663 -9.406 1.00 0.00 O ATOM 0 H GLY A 4 -4.837 -14.011 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.009 -11.581 -9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.980 -12.164 -7.624 1.00 0.00 H new ATOM 37 N SER A 5 -2.564 -13.344 -7.895 1.00 0.00 N ATOM 38 CA SER A 5 -1.121 -13.501 -7.834 1.00 0.00 C ATOM 39 C SER A 5 -0.522 -13.376 -9.236 1.00 0.00 C ATOM 40 O SER A 5 -1.089 -13.878 -10.205 1.00 0.00 O ATOM 41 CB SER A 5 -0.739 -14.845 -7.211 1.00 0.00 C ATOM 42 OG SER A 5 -1.073 -15.940 -8.059 1.00 0.00 O ATOM 0 H SER A 5 -3.088 -13.981 -7.295 1.00 0.00 H new ATOM 0 HA SER A 5 -0.717 -12.711 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.331 -14.858 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.248 -14.959 -6.254 1.00 0.00 H new ATOM 0 HG SER A 5 -0.812 -16.780 -7.627 1.00 0.00 H new ATOM 48 N SER A 6 0.618 -12.703 -9.300 1.00 0.00 N ATOM 49 CA SER A 6 1.301 -12.506 -10.568 1.00 0.00 C ATOM 50 C SER A 6 0.489 -11.563 -11.458 1.00 0.00 C ATOM 51 O SER A 6 -0.722 -11.727 -11.599 1.00 0.00 O ATOM 52 CB SER A 6 1.535 -13.839 -11.280 1.00 0.00 C ATOM 53 OG SER A 6 2.481 -13.720 -12.339 1.00 0.00 O ATOM 0 H SER A 6 1.086 -12.287 -8.495 1.00 0.00 H new ATOM 0 HA SER A 6 2.274 -12.057 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.888 -14.577 -10.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.590 -14.208 -11.678 1.00 0.00 H new ATOM 0 HG SER A 6 2.604 -14.593 -12.767 1.00 0.00 H new ATOM 59 N GLY A 7 1.188 -10.597 -12.036 1.00 0.00 N ATOM 60 CA GLY A 7 0.547 -9.629 -12.909 1.00 0.00 C ATOM 61 C GLY A 7 0.909 -8.199 -12.500 1.00 0.00 C ATOM 62 O GLY A 7 2.085 -7.869 -12.358 1.00 0.00 O ATOM 0 H GLY A 7 2.192 -10.464 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.853 -9.805 -13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.534 -9.759 -12.871 1.00 0.00 H new ATOM 66 N ARG A 8 -0.125 -7.389 -12.324 1.00 0.00 N ATOM 67 CA ARG A 8 0.069 -6.002 -11.935 1.00 0.00 C ATOM 68 C ARG A 8 -0.526 -5.752 -10.548 1.00 0.00 C ATOM 69 O ARG A 8 -0.713 -6.687 -9.771 1.00 0.00 O ATOM 70 CB ARG A 8 -0.582 -5.052 -12.941 1.00 0.00 C ATOM 71 CG ARG A 8 -0.239 -5.454 -14.377 1.00 0.00 C ATOM 72 CD ARG A 8 -1.310 -6.379 -14.958 1.00 0.00 C ATOM 73 NE ARG A 8 -0.880 -6.883 -16.281 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.380 -7.980 -16.866 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.331 -8.694 -16.249 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.929 -8.363 -18.069 1.00 0.00 N ATOM 0 H ARG A 8 -1.099 -7.666 -12.444 1.00 0.00 H new ATOM 0 HA ARG A 8 1.142 -5.810 -11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.664 -5.059 -12.806 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.245 -4.032 -12.755 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.149 -4.562 -14.997 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.729 -5.955 -14.397 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.486 -7.215 -14.281 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.253 -5.842 -15.054 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.158 -6.363 -16.779 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.675 -8.403 -15.334 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.712 -9.529 -16.694 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.205 -7.819 -18.539 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.310 -9.198 -18.514 1.00 0.00 H new ATOM 90 N SER A 9 -0.806 -4.485 -10.279 1.00 0.00 N ATOM 91 CA SER A 9 -1.376 -4.100 -8.999 1.00 0.00 C ATOM 92 C SER A 9 -2.458 -3.039 -9.206 1.00 0.00 C ATOM 93 O SER A 9 -3.084 -2.984 -10.264 1.00 0.00 O ATOM 94 CB SER A 9 -0.295 -3.578 -8.050 1.00 0.00 C ATOM 95 OG SER A 9 -0.095 -2.174 -8.189 1.00 0.00 O ATOM 0 H SER A 9 -0.649 -3.712 -10.926 1.00 0.00 H new ATOM 0 HA SER A 9 -1.825 -4.983 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.576 -3.804 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.642 -4.099 -8.246 1.00 0.00 H new ATOM 0 HG SER A 9 0.601 -1.879 -7.565 1.00 0.00 H new ATOM 101 N TYR A 10 -2.645 -2.222 -8.180 1.00 0.00 N ATOM 102 CA TYR A 10 -3.641 -1.166 -8.236 1.00 0.00 C ATOM 103 C TYR A 10 -2.980 0.214 -8.193 1.00 0.00 C ATOM 104 O TYR A 10 -1.855 0.352 -7.716 1.00 0.00 O ATOM 105 CB TYR A 10 -4.512 -1.340 -6.990 1.00 0.00 C ATOM 106 CG TYR A 10 -5.846 -0.593 -7.054 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.781 -0.931 -8.011 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.114 0.418 -6.154 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.036 -0.228 -8.071 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.369 1.121 -6.213 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.268 0.763 -7.169 1.00 0.00 C ATOM 112 OH TYR A 10 -9.454 1.427 -7.226 1.00 0.00 O ATOM 0 H TYR A 10 -2.123 -2.270 -7.305 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.216 -1.230 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.709 -2.402 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.955 -0.995 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.571 -1.723 -8.715 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.382 0.682 -5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.776 -0.482 -8.815 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.591 1.914 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.482 2.107 -6.521 1.00 0.00 H new ATOM 122 N GLU A 11 -3.708 1.199 -8.698 1.00 0.00 N ATOM 123 CA GLU A 11 -3.206 2.563 -8.723 1.00 0.00 C ATOM 124 C GLU A 11 -4.356 3.555 -8.540 1.00 0.00 C ATOM 125 O GLU A 11 -5.522 3.195 -8.697 1.00 0.00 O ATOM 126 CB GLU A 11 -2.442 2.842 -10.019 1.00 0.00 C ATOM 127 CG GLU A 11 -3.271 2.443 -11.242 1.00 0.00 C ATOM 128 CD GLU A 11 -2.765 1.130 -11.843 1.00 0.00 C ATOM 129 OE1 GLU A 11 -2.878 0.103 -11.139 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.278 1.183 -12.992 1.00 0.00 O ATOM 0 H GLU A 11 -4.641 1.080 -9.093 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.509 2.688 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.190 3.901 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.502 2.290 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.318 2.337 -10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.223 3.233 -11.992 1.00 0.00 H new ATOM 137 N GLY A 12 -3.988 4.784 -8.212 1.00 0.00 N ATOM 138 CA GLY A 12 -4.975 5.831 -8.006 1.00 0.00 C ATOM 139 C GLY A 12 -4.410 6.953 -7.132 1.00 0.00 C ATOM 140 O GLY A 12 -3.538 6.715 -6.298 1.00 0.00 O ATOM 0 H GLY A 12 -3.020 5.079 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.286 6.237 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.863 5.411 -7.535 1.00 0.00 H new ATOM 144 N ILE A 13 -4.931 8.151 -7.353 1.00 0.00 N ATOM 145 CA ILE A 13 -4.489 9.310 -6.597 1.00 0.00 C ATOM 146 C ILE A 13 -4.706 9.052 -5.104 1.00 0.00 C ATOM 147 O ILE A 13 -5.683 8.414 -4.716 1.00 0.00 O ATOM 148 CB ILE A 13 -5.177 10.577 -7.108 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.543 11.056 -8.416 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.177 11.671 -6.038 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.273 11.865 -8.146 1.00 0.00 C ATOM 0 H ILE A 13 -5.655 8.344 -8.045 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.421 9.475 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.218 10.337 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.305 10.198 -9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.257 11.667 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.672 12.561 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.709 11.317 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.150 11.916 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.843 12.193 -9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.519 12.736 -7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.552 11.244 -7.615 1.00 0.00 H new ATOM 163 N LEU A 14 -3.778 9.561 -4.307 1.00 0.00 N ATOM 164 CA LEU A 14 -3.855 9.394 -2.866 1.00 0.00 C ATOM 165 C LEU A 14 -3.173 10.580 -2.182 1.00 0.00 C ATOM 166 O LEU A 14 -1.979 10.808 -2.372 1.00 0.00 O ATOM 167 CB LEU A 14 -3.287 8.035 -2.453 1.00 0.00 C ATOM 168 CG LEU A 14 -4.290 6.883 -2.379 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.631 5.617 -1.828 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.527 7.283 -1.572 1.00 0.00 C ATOM 0 H LEU A 14 -2.968 10.089 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.894 9.392 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.502 7.762 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.815 8.143 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.626 6.657 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.366 4.813 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.808 5.322 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.249 5.812 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.224 6.446 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.229 7.552 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.011 8.137 -2.047 1.00 0.00 H new ATOM 182 N TYR A 15 -3.959 11.304 -1.399 1.00 0.00 N ATOM 183 CA TYR A 15 -3.446 12.461 -0.686 1.00 0.00 C ATOM 184 C TYR A 15 -2.737 12.040 0.603 1.00 0.00 C ATOM 185 O TYR A 15 -2.856 10.895 1.035 1.00 0.00 O ATOM 186 CB TYR A 15 -4.666 13.312 -0.328 1.00 0.00 C ATOM 187 CG TYR A 15 -5.279 14.052 -1.519 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.727 13.343 -2.616 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.385 15.427 -1.497 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.304 14.038 -3.736 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.962 16.123 -2.618 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.393 15.394 -3.682 1.00 0.00 C ATOM 193 OH TYR A 15 -6.939 16.052 -4.740 1.00 0.00 O ATOM 0 H TYR A 15 -4.948 11.111 -1.243 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.725 13.001 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.426 12.670 0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.378 14.040 0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.644 12.266 -2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.035 15.982 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.658 13.495 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.050 17.199 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.939 17.016 -4.562 1.00 0.00 H new ATOM 203 N LYS A 16 -2.015 12.989 1.181 1.00 0.00 N ATOM 204 CA LYS A 16 -1.287 12.731 2.412 1.00 0.00 C ATOM 205 C LYS A 16 -1.293 13.993 3.276 1.00 0.00 C ATOM 206 O LYS A 16 -0.805 15.041 2.855 1.00 0.00 O ATOM 207 CB LYS A 16 0.115 12.202 2.104 1.00 0.00 C ATOM 208 CG LYS A 16 0.837 11.784 3.387 1.00 0.00 C ATOM 209 CD LYS A 16 2.032 10.881 3.074 1.00 0.00 C ATOM 210 CE LYS A 16 3.345 11.661 3.163 1.00 0.00 C ATOM 211 NZ LYS A 16 4.444 10.899 2.529 1.00 0.00 N ATOM 0 H LYS A 16 -1.919 13.938 0.819 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.778 11.947 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.046 11.350 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.693 12.971 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.177 12.670 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.143 11.260 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.053 10.045 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.922 10.459 2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.235 12.628 2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.587 11.859 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.325 11.450 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.571 9.994 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.210 10.717 1.532 1.00 0.00 H new ATOM 225 N LYS A 17 -1.850 13.852 4.470 1.00 0.00 N ATOM 226 CA LYS A 17 -1.925 14.968 5.398 1.00 0.00 C ATOM 227 C LYS A 17 -0.511 15.465 5.707 1.00 0.00 C ATOM 228 O LYS A 17 0.464 14.750 5.485 1.00 0.00 O ATOM 229 CB LYS A 17 -2.725 14.577 6.642 1.00 0.00 C ATOM 230 CG LYS A 17 -3.047 15.805 7.495 1.00 0.00 C ATOM 231 CD LYS A 17 -4.048 15.459 8.600 1.00 0.00 C ATOM 232 CE LYS A 17 -4.647 16.726 9.214 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.016 17.016 10.521 1.00 0.00 N ATOM 0 H LYS A 17 -2.254 12.982 4.816 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.465 15.801 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.650 14.084 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.157 13.858 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.131 16.194 7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.456 16.594 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.845 14.837 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.552 14.875 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.502 17.569 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.722 16.602 9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.434 17.879 10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.177 16.218 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.994 17.155 10.390 1.00 0.00 H new ATOM 247 N GLY A 18 -0.446 16.688 6.213 1.00 0.00 N ATOM 248 CA GLY A 18 0.832 17.289 6.554 1.00 0.00 C ATOM 249 C GLY A 18 1.317 18.216 5.438 1.00 0.00 C ATOM 250 O GLY A 18 1.818 17.753 4.415 1.00 0.00 O ATOM 0 H GLY A 18 -1.257 17.279 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.737 17.851 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.571 16.507 6.729 1.00 0.00 H new ATOM 254 N ALA A 19 1.150 19.510 5.673 1.00 0.00 N ATOM 255 CA ALA A 19 1.565 20.506 4.701 1.00 0.00 C ATOM 256 C ALA A 19 1.135 21.893 5.183 1.00 0.00 C ATOM 257 O ALA A 19 0.250 22.014 6.029 1.00 0.00 O ATOM 258 CB ALA A 19 0.978 20.158 3.331 1.00 0.00 C ATOM 0 H ALA A 19 0.733 19.891 6.522 1.00 0.00 H new ATOM 0 HA ALA A 19 2.650 20.514 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.289 20.905 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.336 19.176 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.110 20.144 3.394 1.00 0.00 H new ATOM 264 N PHE A 20 1.783 22.906 4.626 1.00 0.00 N ATOM 265 CA PHE A 20 1.479 24.279 4.989 1.00 0.00 C ATOM 266 C PHE A 20 -0.019 24.562 4.861 1.00 0.00 C ATOM 267 O PHE A 20 -0.805 23.653 4.599 1.00 0.00 O ATOM 268 CB PHE A 20 2.240 25.179 4.013 1.00 0.00 C ATOM 269 CG PHE A 20 3.669 25.506 4.453 1.00 0.00 C ATOM 270 CD1 PHE A 20 4.627 24.541 4.424 1.00 0.00 C ATOM 271 CD2 PHE A 20 3.981 26.761 4.873 1.00 0.00 C ATOM 272 CE1 PHE A 20 5.953 24.845 4.833 1.00 0.00 C ATOM 273 CE2 PHE A 20 5.306 27.065 5.281 1.00 0.00 C ATOM 274 CZ PHE A 20 6.264 26.100 5.252 1.00 0.00 C ATOM 0 H PHE A 20 2.517 22.803 3.926 1.00 0.00 H new ATOM 0 HA PHE A 20 1.769 24.462 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.273 24.694 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.687 26.110 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.380 23.544 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.220 27.527 4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.714 24.079 4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.553 28.062 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.272 26.331 5.562 1.00 0.00 H new ATOM 284 N MET A 21 -0.369 25.825 5.053 1.00 0.00 N ATOM 285 CA MET A 21 -1.759 26.238 4.963 1.00 0.00 C ATOM 286 C MET A 21 -2.479 25.498 3.834 1.00 0.00 C ATOM 287 O MET A 21 -3.613 25.052 4.003 1.00 0.00 O ATOM 288 CB MET A 21 -1.828 27.746 4.710 1.00 0.00 C ATOM 289 CG MET A 21 -2.238 28.496 5.979 1.00 0.00 C ATOM 290 SD MET A 21 -3.132 29.980 5.549 1.00 0.00 S ATOM 291 CE MET A 21 -2.948 30.904 7.065 1.00 0.00 C ATOM 0 H MET A 21 0.286 26.576 5.271 1.00 0.00 H new ATOM 0 HA MET A 21 -2.252 25.995 5.904 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.858 28.106 4.368 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.543 27.953 3.914 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.859 27.856 6.605 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.353 28.751 6.563 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.452 31.866 6.968 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.391 30.344 7.889 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.889 31.068 7.265 1.00 0.00 H new ATOM 301 N LYS A 22 -1.791 25.389 2.707 1.00 0.00 N ATOM 302 CA LYS A 22 -2.350 24.710 1.551 1.00 0.00 C ATOM 303 C LYS A 22 -2.974 23.385 1.995 1.00 0.00 C ATOM 304 O LYS A 22 -2.655 22.873 3.068 1.00 0.00 O ATOM 305 CB LYS A 22 -1.292 24.555 0.457 1.00 0.00 C ATOM 306 CG LYS A 22 -1.067 25.877 -0.279 1.00 0.00 C ATOM 307 CD LYS A 22 -2.087 26.060 -1.404 1.00 0.00 C ATOM 308 CE LYS A 22 -1.830 27.357 -2.173 1.00 0.00 C ATOM 309 NZ LYS A 22 -1.019 27.091 -3.382 1.00 0.00 N ATOM 0 H LYS A 22 -0.851 25.760 2.570 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.148 25.306 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.355 24.216 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.606 23.789 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.144 26.706 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.058 25.901 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.036 25.212 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.094 26.074 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.779 27.812 -2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.314 28.071 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.854 27.982 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.106 26.677 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.526 26.427 -4.001 1.00 0.00 H new ATOM 323 N PRO A 23 -3.875 22.854 1.126 1.00 0.00 N ATOM 324 CA PRO A 23 -4.546 21.598 1.418 1.00 0.00 C ATOM 325 C PRO A 23 -3.601 20.412 1.218 1.00 0.00 C ATOM 326 O PRO A 23 -2.532 20.558 0.626 1.00 0.00 O ATOM 327 CB PRO A 23 -5.745 21.567 0.485 1.00 0.00 C ATOM 328 CG PRO A 23 -5.445 22.575 -0.613 1.00 0.00 C ATOM 329 CD PRO A 23 -4.277 23.432 -0.153 1.00 0.00 C ATOM 0 HA PRO A 23 -4.865 21.523 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.891 20.570 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.660 21.829 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.200 22.064 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.319 23.195 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.459 23.407 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.571 24.476 -0.041 1.00 0.00 H new ATOM 337 N TRP A 24 -4.028 19.264 1.722 1.00 0.00 N ATOM 338 CA TRP A 24 -3.234 18.053 1.606 1.00 0.00 C ATOM 339 C TRP A 24 -2.763 17.934 0.155 1.00 0.00 C ATOM 340 O TRP A 24 -3.475 18.328 -0.767 1.00 0.00 O ATOM 341 CB TRP A 24 -4.023 16.831 2.080 1.00 0.00 C ATOM 342 CG TRP A 24 -4.546 16.946 3.513 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.441 17.989 4.349 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.265 15.934 4.250 1.00 0.00 C ATOM 345 NE1 TRP A 24 -5.037 17.724 5.565 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.554 16.435 5.503 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.658 14.639 3.870 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.248 15.708 6.478 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.351 13.925 4.855 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.650 14.415 6.121 1.00 0.00 C ATOM 0 H TRP A 24 -4.915 19.147 2.212 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.359 18.103 2.254 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.866 16.673 1.408 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.387 15.949 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.952 18.919 4.102 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.089 18.357 6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.442 14.227 2.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.462 16.122 7.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.676 12.924 4.614 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.190 13.801 6.826 1.00 0.00 H new ATOM 361 N LYS A 25 -1.565 17.389 -0.002 1.00 0.00 N ATOM 362 CA LYS A 25 -0.990 17.214 -1.325 1.00 0.00 C ATOM 363 C LYS A 25 -1.520 15.916 -1.938 1.00 0.00 C ATOM 364 O LYS A 25 -1.823 14.965 -1.220 1.00 0.00 O ATOM 365 CB LYS A 25 0.537 17.285 -1.260 1.00 0.00 C ATOM 366 CG LYS A 25 1.164 16.806 -2.570 1.00 0.00 C ATOM 367 CD LYS A 25 1.087 17.894 -3.644 1.00 0.00 C ATOM 368 CE LYS A 25 1.930 17.520 -4.865 1.00 0.00 C ATOM 369 NZ LYS A 25 3.350 17.353 -4.483 1.00 0.00 N ATOM 0 H LYS A 25 -0.977 17.063 0.765 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.295 18.027 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.849 18.310 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.898 16.672 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.205 16.531 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.650 15.910 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.050 18.040 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.436 18.841 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.554 16.596 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.841 18.294 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.956 17.820 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.511 17.782 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.582 16.340 -4.443 1.00 0.00 H new ATOM 383 N ALA A 26 -1.616 15.919 -3.260 1.00 0.00 N ATOM 384 CA ALA A 26 -2.104 14.754 -3.978 1.00 0.00 C ATOM 385 C ALA A 26 -0.931 14.061 -4.674 1.00 0.00 C ATOM 386 O ALA A 26 -0.257 14.662 -5.509 1.00 0.00 O ATOM 387 CB ALA A 26 -3.196 15.180 -4.961 1.00 0.00 C ATOM 0 H ALA A 26 -1.364 16.710 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.549 14.037 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.562 14.306 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.019 15.640 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.786 15.898 -5.671 1.00 0.00 H new ATOM 393 N ARG A 27 -0.723 12.806 -4.304 1.00 0.00 N ATOM 394 CA ARG A 27 0.357 12.025 -4.882 1.00 0.00 C ATOM 395 C ARG A 27 -0.198 10.769 -5.556 1.00 0.00 C ATOM 396 O ARG A 27 -1.330 10.366 -5.291 1.00 0.00 O ATOM 397 CB ARG A 27 1.374 11.615 -3.815 1.00 0.00 C ATOM 398 CG ARG A 27 2.040 12.844 -3.192 1.00 0.00 C ATOM 399 CD ARG A 27 3.074 12.433 -2.141 1.00 0.00 C ATOM 400 NE ARG A 27 2.997 13.340 -0.974 1.00 0.00 N ATOM 401 CZ ARG A 27 3.911 13.386 0.004 1.00 0.00 C ATOM 402 NH1 ARG A 27 4.978 12.576 -0.039 1.00 0.00 N ATOM 403 NH2 ARG A 27 3.760 14.241 1.024 1.00 0.00 N ATOM 0 H ARG A 27 -1.284 12.311 -3.611 1.00 0.00 H new ATOM 0 HA ARG A 27 0.857 12.649 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.877 11.033 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.133 10.971 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.523 13.435 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.282 13.479 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.895 11.405 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.075 12.465 -2.572 1.00 0.00 H new ATOM 0 HE ARG A 27 2.197 13.970 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.093 11.925 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.675 12.610 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.948 14.858 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.457 14.275 1.768 1.00 0.00 H new ATOM 417 N TRP A 28 0.624 10.184 -6.415 1.00 0.00 N ATOM 418 CA TRP A 28 0.229 8.981 -7.129 1.00 0.00 C ATOM 419 C TRP A 28 0.784 7.776 -6.368 1.00 0.00 C ATOM 420 O TRP A 28 1.980 7.496 -6.429 1.00 0.00 O ATOM 421 CB TRP A 28 0.690 9.033 -8.587 1.00 0.00 C ATOM 422 CG TRP A 28 0.172 7.877 -9.445 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.860 6.832 -9.924 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.182 7.691 -9.909 1.00 0.00 C ATOM 425 NE1 TRP A 28 0.052 5.989 -10.660 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.229 6.528 -10.651 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.329 8.480 -9.709 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.399 6.049 -11.252 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.490 7.987 -10.317 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.554 6.818 -11.066 1.00 0.00 C ATOM 0 H TRP A 28 1.562 10.521 -6.633 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.857 8.895 -7.171 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.362 9.974 -9.028 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.780 9.031 -8.613 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.914 6.670 -9.755 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.342 5.129 -11.125 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.315 9.393 -9.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.410 5.136 -11.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.400 8.555 -10.195 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.491 6.504 -11.503 1.00 0.00 H new ATOM 441 N PHE A 29 -0.111 7.094 -5.669 1.00 0.00 N ATOM 442 CA PHE A 29 0.274 5.924 -4.898 1.00 0.00 C ATOM 443 C PHE A 29 0.177 4.653 -5.743 1.00 0.00 C ATOM 444 O PHE A 29 -0.344 4.682 -6.857 1.00 0.00 O ATOM 445 CB PHE A 29 -0.704 5.819 -3.726 1.00 0.00 C ATOM 446 CG PHE A 29 -0.306 6.652 -2.506 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.327 7.844 -2.673 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.585 6.200 -1.254 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.697 8.616 -1.541 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.215 6.972 -0.121 1.00 0.00 C ATOM 451 CZ PHE A 29 0.418 8.164 -0.289 1.00 0.00 C ATOM 0 H PHE A 29 -1.102 7.329 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 29 1.305 6.025 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.692 6.134 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.787 4.774 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.548 8.203 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.088 5.254 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.200 9.562 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.436 6.613 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.699 8.752 0.572 1.00 0.00 H new ATOM 461 N VAL A 30 0.688 3.567 -5.182 1.00 0.00 N ATOM 462 CA VAL A 30 0.666 2.288 -5.870 1.00 0.00 C ATOM 463 C VAL A 30 0.470 1.167 -4.848 1.00 0.00 C ATOM 464 O VAL A 30 1.336 0.930 -4.007 1.00 0.00 O ATOM 465 CB VAL A 30 1.937 2.120 -6.705 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.166 0.651 -7.066 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.887 2.993 -7.961 1.00 0.00 C ATOM 0 H VAL A 30 1.120 3.547 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.172 2.244 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 30 2.781 2.451 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.076 0.560 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.268 0.064 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.318 0.282 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.802 2.855 -8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.029 2.707 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.794 4.040 -7.673 1.00 0.00 H new ATOM 477 N LEU A 31 -0.673 0.505 -4.954 1.00 0.00 N ATOM 478 CA LEU A 31 -0.994 -0.585 -4.049 1.00 0.00 C ATOM 479 C LEU A 31 -0.478 -1.900 -4.638 1.00 0.00 C ATOM 480 O LEU A 31 -1.227 -2.632 -5.282 1.00 0.00 O ATOM 481 CB LEU A 31 -2.491 -0.598 -3.734 1.00 0.00 C ATOM 482 CG LEU A 31 -2.867 -0.840 -2.271 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.070 -2.331 -1.996 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.832 -0.220 -1.329 1.00 0.00 C ATOM 0 H LEU A 31 -1.388 0.703 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.492 -0.445 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.916 0.357 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.963 -1.370 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.818 -0.344 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.336 -2.475 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.871 -2.712 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.148 -2.870 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.123 -0.406 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.855 -0.666 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.779 0.855 -1.503 1.00 0.00 H new ATOM 496 N ASP A 32 0.799 -2.158 -4.396 1.00 0.00 N ATOM 497 CA ASP A 32 1.424 -3.372 -4.895 1.00 0.00 C ATOM 498 C ASP A 32 1.064 -4.541 -3.976 1.00 0.00 C ATOM 499 O ASP A 32 1.238 -4.457 -2.762 1.00 0.00 O ATOM 500 CB ASP A 32 2.948 -3.238 -4.915 1.00 0.00 C ATOM 501 CG ASP A 32 3.487 -2.100 -5.784 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.159 -2.104 -6.991 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.214 -1.252 -5.223 1.00 0.00 O ATOM 0 H ASP A 32 1.418 -1.548 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 32 1.064 -3.545 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.298 -3.091 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.375 -4.177 -5.267 1.00 0.00 H new ATOM 508 N LYS A 33 0.568 -5.604 -4.592 1.00 0.00 N ATOM 509 CA LYS A 33 0.181 -6.789 -3.844 1.00 0.00 C ATOM 510 C LYS A 33 1.324 -7.805 -3.881 1.00 0.00 C ATOM 511 O LYS A 33 1.564 -8.511 -2.903 1.00 0.00 O ATOM 512 CB LYS A 33 -1.149 -7.339 -4.363 1.00 0.00 C ATOM 513 CG LYS A 33 -1.117 -7.507 -5.884 1.00 0.00 C ATOM 514 CD LYS A 33 -1.865 -8.771 -6.312 1.00 0.00 C ATOM 515 CE LYS A 33 -3.347 -8.476 -6.551 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.117 -9.736 -6.652 1.00 0.00 N ATOM 0 H LYS A 33 0.425 -5.670 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 33 0.009 -6.540 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.358 -8.299 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.959 -6.664 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.567 -6.635 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.083 -7.558 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.419 -9.171 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.762 -9.537 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.739 -7.868 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.465 -7.896 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.771 -9.679 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.463 -10.532 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.659 -9.883 -5.776 1.00 0.00 H new ATOM 530 N THR A 34 1.999 -7.848 -5.021 1.00 0.00 N ATOM 531 CA THR A 34 3.111 -8.766 -5.198 1.00 0.00 C ATOM 532 C THR A 34 4.307 -8.325 -4.353 1.00 0.00 C ATOM 533 O THR A 34 5.098 -9.155 -3.908 1.00 0.00 O ATOM 534 CB THR A 34 3.421 -8.850 -6.694 1.00 0.00 C ATOM 535 OG1 THR A 34 4.093 -7.626 -6.978 1.00 0.00 O ATOM 536 CG2 THR A 34 2.160 -8.791 -7.558 1.00 0.00 C ATOM 0 H THR A 34 1.797 -7.262 -5.831 1.00 0.00 H new ATOM 0 HA THR A 34 2.858 -9.766 -4.847 1.00 0.00 H new ATOM 0 HB THR A 34 3.960 -9.774 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.333 -7.597 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.437 -8.854 -8.610 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.506 -9.625 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.638 -7.852 -7.376 1.00 0.00 H new ATOM 544 N LYS A 35 4.403 -7.018 -4.158 1.00 0.00 N ATOM 545 CA LYS A 35 5.490 -6.456 -3.374 1.00 0.00 C ATOM 546 C LYS A 35 5.018 -6.246 -1.933 1.00 0.00 C ATOM 547 O LYS A 35 5.813 -6.329 -0.998 1.00 0.00 O ATOM 548 CB LYS A 35 6.026 -5.185 -4.036 1.00 0.00 C ATOM 549 CG LYS A 35 6.955 -5.526 -5.203 1.00 0.00 C ATOM 550 CD LYS A 35 8.414 -5.582 -4.745 1.00 0.00 C ATOM 551 CE LYS A 35 9.326 -6.060 -5.877 1.00 0.00 C ATOM 552 NZ LYS A 35 10.693 -5.522 -5.703 1.00 0.00 N ATOM 0 H LYS A 35 3.746 -6.332 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 35 6.331 -7.148 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.194 -4.578 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.564 -4.587 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.668 -6.486 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.846 -4.779 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.732 -4.595 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.505 -6.254 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.357 -7.149 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.922 -5.739 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.299 -5.856 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.661 -4.483 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.082 -5.849 -4.795 1.00 0.00 H new ATOM 566 N HIS A 36 3.728 -5.979 -1.799 1.00 0.00 N ATOM 567 CA HIS A 36 3.142 -5.757 -0.489 1.00 0.00 C ATOM 568 C HIS A 36 3.697 -4.463 0.110 1.00 0.00 C ATOM 569 O HIS A 36 3.977 -4.398 1.306 1.00 0.00 O ATOM 570 CB HIS A 36 3.360 -6.970 0.417 1.00 0.00 C ATOM 571 CG HIS A 36 2.088 -7.688 0.801 1.00 0.00 C ATOM 572 ND1 HIS A 36 1.550 -8.715 0.045 1.00 0.00 N ATOM 573 CD2 HIS A 36 1.255 -7.516 1.867 1.00 0.00 C ATOM 574 CE1 HIS A 36 0.442 -9.134 0.639 1.00 0.00 C ATOM 575 NE2 HIS A 36 0.261 -8.390 1.767 1.00 0.00 N ATOM 0 H HIS A 36 3.072 -5.911 -2.577 1.00 0.00 H new ATOM 0 HA HIS A 36 2.063 -5.638 -0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.023 -7.673 -0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.870 -6.646 1.324 1.00 0.00 H new ATOM 0 HD1 HIS A 36 1.940 -9.086 -0.821 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.382 -6.792 2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.204 -9.926 0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.511 -8.489 2.426 1.00 0.00 H new ATOM 583 N GLN A 37 3.840 -3.465 -0.750 1.00 0.00 N ATOM 584 CA GLN A 37 4.357 -2.176 -0.321 1.00 0.00 C ATOM 585 C GLN A 37 3.540 -1.043 -0.944 1.00 0.00 C ATOM 586 O GLN A 37 2.807 -1.258 -1.908 1.00 0.00 O ATOM 587 CB GLN A 37 5.841 -2.038 -0.669 1.00 0.00 C ATOM 588 CG GLN A 37 6.671 -3.113 0.033 1.00 0.00 C ATOM 589 CD GLN A 37 7.902 -3.485 -0.796 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.951 -4.508 -1.458 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.891 -2.598 -0.724 1.00 0.00 N ATOM 0 H GLN A 37 3.607 -3.523 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 37 4.264 -2.111 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.974 -2.118 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.196 -1.050 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.984 -2.753 1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.059 -3.999 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.785 -1.761 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.755 -2.755 -1.242 1.00 0.00 H new ATOM 600 N LEU A 38 3.693 0.140 -0.367 1.00 0.00 N ATOM 601 CA LEU A 38 2.978 1.308 -0.854 1.00 0.00 C ATOM 602 C LEU A 38 3.967 2.262 -1.526 1.00 0.00 C ATOM 603 O LEU A 38 4.709 2.972 -0.849 1.00 0.00 O ATOM 604 CB LEU A 38 2.174 1.953 0.277 1.00 0.00 C ATOM 605 CG LEU A 38 0.822 2.550 -0.118 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.228 2.294 0.965 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.955 4.038 -0.448 1.00 0.00 C ATOM 0 H LEU A 38 4.301 0.315 0.433 1.00 0.00 H new ATOM 0 HA LEU A 38 2.248 1.020 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.006 1.203 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.780 2.741 0.724 1.00 0.00 H new ATOM 0 HG LEU A 38 0.479 2.049 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.180 2.729 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.349 1.220 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.095 2.751 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.020 4.438 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.331 4.572 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.649 4.166 -1.279 1.00 0.00 H new ATOM 619 N ARG A 39 3.945 2.249 -2.851 1.00 0.00 N ATOM 620 CA ARG A 39 4.831 3.104 -3.623 1.00 0.00 C ATOM 621 C ARG A 39 4.075 4.338 -4.122 1.00 0.00 C ATOM 622 O ARG A 39 3.067 4.214 -4.816 1.00 0.00 O ATOM 623 CB ARG A 39 5.415 2.353 -4.822 1.00 0.00 C ATOM 624 CG ARG A 39 6.446 1.318 -4.370 1.00 0.00 C ATOM 625 CD ARG A 39 7.197 0.732 -5.568 1.00 0.00 C ATOM 626 NE ARG A 39 8.656 0.882 -5.374 1.00 0.00 N ATOM 627 CZ ARG A 39 9.578 0.149 -6.012 1.00 0.00 C ATOM 628 NH1 ARG A 39 9.198 -0.790 -6.890 1.00 0.00 N ATOM 629 NH2 ARG A 39 10.880 0.353 -5.772 1.00 0.00 N ATOM 0 H ARG A 39 3.327 1.660 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 39 5.647 3.412 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.614 1.858 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.881 3.061 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.155 1.781 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.948 0.518 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.944 -0.322 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.890 1.238 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 39 8.980 1.588 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.207 -0.946 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.900 -1.348 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.170 1.067 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.582 -0.205 -6.258 1.00 0.00 H new ATOM 643 N TYR A 40 4.592 5.499 -3.748 1.00 0.00 N ATOM 644 CA TYR A 40 3.979 6.754 -4.149 1.00 0.00 C ATOM 645 C TYR A 40 5.019 7.709 -4.739 1.00 0.00 C ATOM 646 O TYR A 40 6.165 7.737 -4.293 1.00 0.00 O ATOM 647 CB TYR A 40 3.405 7.370 -2.871 1.00 0.00 C ATOM 648 CG TYR A 40 4.468 7.841 -1.876 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.053 9.082 -2.028 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.842 7.025 -0.828 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.053 9.525 -1.091 1.00 0.00 C ATOM 652 CE2 TYR A 40 5.842 7.469 0.109 1.00 0.00 C ATOM 653 CZ TYR A 40 6.399 8.697 -0.069 1.00 0.00 C ATOM 654 OH TYR A 40 7.343 9.115 0.815 1.00 0.00 O ATOM 0 H TYR A 40 5.428 5.597 -3.172 1.00 0.00 H new ATOM 0 HA TYR A 40 3.217 6.583 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.773 8.216 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.764 6.636 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.761 9.720 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.385 6.054 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.518 10.494 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.143 6.841 0.934 1.00 0.00 H new ATOM 0 HH TYR A 40 8.049 9.597 0.336 1.00 0.00 H new ATOM 664 N TYR A 41 4.581 8.468 -5.733 1.00 0.00 N ATOM 665 CA TYR A 41 5.460 9.421 -6.389 1.00 0.00 C ATOM 666 C TYR A 41 4.880 10.836 -6.325 1.00 0.00 C ATOM 667 O TYR A 41 3.701 11.014 -6.025 1.00 0.00 O ATOM 668 CB TYR A 41 5.542 8.982 -7.852 1.00 0.00 C ATOM 669 CG TYR A 41 5.769 7.481 -8.039 1.00 0.00 C ATOM 670 CD1 TYR A 41 4.708 6.604 -7.933 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.034 7.003 -8.314 1.00 0.00 C ATOM 672 CE1 TYR A 41 4.922 5.191 -8.110 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.247 5.590 -8.491 1.00 0.00 C ATOM 674 CZ TYR A 41 6.181 4.753 -8.380 1.00 0.00 C ATOM 675 OH TYR A 41 6.382 3.419 -8.546 1.00 0.00 O ATOM 0 H TYR A 41 3.630 8.442 -6.100 1.00 0.00 H new ATOM 0 HA TYR A 41 6.436 9.440 -5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.619 9.265 -8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.352 9.525 -8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.718 6.978 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.864 7.689 -8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.101 4.494 -8.030 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.232 5.203 -8.707 1.00 0.00 H new ATOM 0 HH TYR A 41 7.329 3.252 -8.734 1.00 0.00 H new ATOM 685 N ASP A 42 5.736 11.805 -6.612 1.00 0.00 N ATOM 686 CA ASP A 42 5.323 13.198 -6.592 1.00 0.00 C ATOM 687 C ASP A 42 4.406 13.472 -7.785 1.00 0.00 C ATOM 688 O ASP A 42 3.488 14.286 -7.693 1.00 0.00 O ATOM 689 CB ASP A 42 6.530 14.132 -6.699 1.00 0.00 C ATOM 690 CG ASP A 42 7.326 14.312 -5.405 1.00 0.00 C ATOM 691 OD1 ASP A 42 6.881 15.134 -4.575 1.00 0.00 O ATOM 692 OD2 ASP A 42 8.362 13.624 -5.276 1.00 0.00 O ATOM 0 H ASP A 42 6.714 11.653 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 42 4.806 13.382 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.199 13.749 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.185 15.110 -7.034 1.00 0.00 H new ATOM 697 N HIS A 43 4.686 12.777 -8.877 1.00 0.00 N ATOM 698 CA HIS A 43 3.897 12.934 -10.088 1.00 0.00 C ATOM 699 C HIS A 43 3.310 11.582 -10.498 1.00 0.00 C ATOM 700 O HIS A 43 3.410 10.607 -9.755 1.00 0.00 O ATOM 701 CB HIS A 43 4.728 13.581 -11.197 1.00 0.00 C ATOM 702 CG HIS A 43 5.118 15.013 -10.917 1.00 0.00 C ATOM 703 ND1 HIS A 43 4.275 15.909 -10.282 1.00 0.00 N ATOM 704 CD2 HIS A 43 6.267 15.694 -11.193 1.00 0.00 C ATOM 705 CE1 HIS A 43 4.900 17.073 -10.185 1.00 0.00 C ATOM 706 NE2 HIS A 43 6.133 16.939 -10.750 1.00 0.00 N ATOM 0 H HIS A 43 5.448 12.103 -8.949 1.00 0.00 H new ATOM 0 HA HIS A 43 3.063 13.609 -9.898 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.632 12.992 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.163 13.545 -12.128 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.138 15.290 -11.688 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.502 17.971 -9.737 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.837 17.674 -10.821 1.00 0.00 H new ATOM 714 N ARG A 44 2.711 11.567 -11.679 1.00 0.00 N ATOM 715 CA ARG A 44 2.108 10.351 -12.197 1.00 0.00 C ATOM 716 C ARG A 44 2.950 9.788 -13.345 1.00 0.00 C ATOM 717 O ARG A 44 2.508 8.893 -14.063 1.00 0.00 O ATOM 718 CB ARG A 44 0.686 10.611 -12.697 1.00 0.00 C ATOM 719 CG ARG A 44 -0.112 9.308 -12.780 1.00 0.00 C ATOM 720 CD ARG A 44 -1.407 9.508 -13.572 1.00 0.00 C ATOM 721 NE ARG A 44 -1.122 9.477 -15.024 1.00 0.00 N ATOM 722 CZ ARG A 44 -0.861 10.566 -15.761 1.00 0.00 C ATOM 723 NH1 ARG A 44 -0.847 11.776 -15.187 1.00 0.00 N ATOM 724 NH2 ARG A 44 -0.614 10.443 -17.072 1.00 0.00 N ATOM 0 H ARG A 44 2.630 12.378 -12.292 1.00 0.00 H new ATOM 0 HA ARG A 44 2.068 9.628 -11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.183 11.308 -12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.722 11.083 -13.679 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.494 8.536 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.346 8.956 -11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.123 8.727 -13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.864 10.460 -13.303 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.124 8.571 -15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.035 11.869 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.648 12.604 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.625 9.521 -17.509 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.415 11.271 -17.633 1.00 0.00 H new ATOM 738 N MET A 45 4.148 10.338 -13.482 1.00 0.00 N ATOM 739 CA MET A 45 5.055 9.902 -14.530 1.00 0.00 C ATOM 740 C MET A 45 6.506 9.926 -14.044 1.00 0.00 C ATOM 741 O MET A 45 7.413 10.266 -14.803 1.00 0.00 O ATOM 742 CB MET A 45 4.909 10.819 -15.746 1.00 0.00 C ATOM 743 CG MET A 45 5.156 10.050 -17.046 1.00 0.00 C ATOM 744 SD MET A 45 4.157 10.731 -18.358 1.00 0.00 S ATOM 745 CE MET A 45 3.257 9.271 -18.852 1.00 0.00 C ATOM 0 H MET A 45 4.511 11.081 -12.885 1.00 0.00 H new ATOM 0 HA MET A 45 4.799 8.878 -14.803 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.909 11.253 -15.761 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.615 11.646 -15.669 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.211 10.104 -17.315 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.917 8.996 -16.906 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.581 9.520 -19.670 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.959 8.505 -19.182 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.681 8.895 -18.006 1.00 0.00 H new ATOM 755 N ASP A 46 6.680 9.561 -12.782 1.00 0.00 N ATOM 756 CA ASP A 46 8.005 9.536 -12.186 1.00 0.00 C ATOM 757 C ASP A 46 8.574 8.119 -12.277 1.00 0.00 C ATOM 758 O ASP A 46 7.909 7.154 -11.903 1.00 0.00 O ATOM 759 CB ASP A 46 7.952 9.931 -10.709 1.00 0.00 C ATOM 760 CG ASP A 46 6.804 10.869 -10.331 1.00 0.00 C ATOM 761 OD1 ASP A 46 5.662 10.560 -10.735 1.00 0.00 O ATOM 762 OD2 ASP A 46 7.094 11.874 -9.647 1.00 0.00 O ATOM 0 H ASP A 46 5.925 9.280 -12.156 1.00 0.00 H new ATOM 0 HA ASP A 46 8.631 10.246 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.873 9.025 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.895 10.409 -10.442 1.00 0.00 H new ATOM 767 N THR A 47 9.798 8.038 -12.777 1.00 0.00 N ATOM 768 CA THR A 47 10.464 6.755 -12.922 1.00 0.00 C ATOM 769 C THR A 47 11.013 6.284 -11.573 1.00 0.00 C ATOM 770 O THR A 47 11.079 5.084 -11.311 1.00 0.00 O ATOM 771 CB THR A 47 11.541 6.900 -13.999 1.00 0.00 C ATOM 772 OG1 THR A 47 12.307 5.704 -13.887 1.00 0.00 O ATOM 773 CG2 THR A 47 12.540 8.014 -13.682 1.00 0.00 C ATOM 0 H THR A 47 10.346 8.840 -13.087 1.00 0.00 H new ATOM 0 HA THR A 47 9.766 5.981 -13.242 1.00 0.00 H new ATOM 0 HB THR A 47 11.068 7.100 -14.960 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.028 5.714 -14.551 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.282 8.074 -14.478 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.012 8.965 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.038 7.798 -12.737 1.00 0.00 H new ATOM 781 N GLU A 48 11.393 7.253 -10.754 1.00 0.00 N ATOM 782 CA GLU A 48 11.934 6.953 -9.439 1.00 0.00 C ATOM 783 C GLU A 48 10.879 7.207 -8.360 1.00 0.00 C ATOM 784 O GLU A 48 10.147 8.193 -8.423 1.00 0.00 O ATOM 785 CB GLU A 48 13.201 7.766 -9.169 1.00 0.00 C ATOM 786 CG GLU A 48 12.890 9.263 -9.111 1.00 0.00 C ATOM 787 CD GLU A 48 14.171 10.083 -8.942 1.00 0.00 C ATOM 788 OE1 GLU A 48 15.092 9.873 -9.760 1.00 0.00 O ATOM 789 OE2 GLU A 48 14.200 10.902 -7.998 1.00 0.00 O ATOM 0 H GLU A 48 11.337 8.247 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 48 12.206 5.898 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.648 7.447 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.935 7.573 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.377 9.567 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.212 9.465 -8.282 1.00 0.00 H new ATOM 796 N CYS A 49 10.835 6.299 -7.396 1.00 0.00 N ATOM 797 CA CYS A 49 9.882 6.412 -6.305 1.00 0.00 C ATOM 798 C CYS A 49 10.592 7.054 -5.112 1.00 0.00 C ATOM 799 O CYS A 49 11.765 6.778 -4.861 1.00 0.00 O ATOM 800 CB CYS A 49 9.271 5.056 -5.945 1.00 0.00 C ATOM 801 SG CYS A 49 7.867 5.289 -4.794 1.00 0.00 S ATOM 0 H CYS A 49 11.444 5.482 -7.348 1.00 0.00 H new ATOM 0 HA CYS A 49 9.047 7.042 -6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.931 4.549 -6.848 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.026 4.418 -5.486 1.00 0.00 H new ATOM 0 HG CYS A 49 7.420 6.505 -4.896 1.00 0.00 H new ATOM 807 N LYS A 50 9.852 7.897 -4.407 1.00 0.00 N ATOM 808 CA LYS A 50 10.397 8.580 -3.245 1.00 0.00 C ATOM 809 C LYS A 50 9.576 8.207 -2.009 1.00 0.00 C ATOM 810 O LYS A 50 8.582 8.860 -1.699 1.00 0.00 O ATOM 811 CB LYS A 50 10.477 10.086 -3.498 1.00 0.00 C ATOM 812 CG LYS A 50 11.459 10.401 -4.629 1.00 0.00 C ATOM 813 CD LYS A 50 12.895 10.468 -4.105 1.00 0.00 C ATOM 814 CE LYS A 50 13.232 11.876 -3.608 1.00 0.00 C ATOM 815 NZ LYS A 50 14.677 12.150 -3.769 1.00 0.00 N ATOM 0 H LYS A 50 8.880 8.123 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 50 11.421 8.257 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.489 10.469 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.791 10.595 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.386 9.637 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.193 11.351 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.024 9.752 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.588 10.182 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.652 12.613 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.952 11.975 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.889 13.109 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.225 11.458 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.935 12.076 -4.774 1.00 0.00 H new ATOM 829 N GLY A 51 10.024 7.157 -1.336 1.00 0.00 N ATOM 830 CA GLY A 51 9.344 6.689 -0.140 1.00 0.00 C ATOM 831 C GLY A 51 8.580 5.392 -0.416 1.00 0.00 C ATOM 832 O GLY A 51 8.157 5.145 -1.544 1.00 0.00 O ATOM 0 H GLY A 51 10.849 6.617 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.071 6.525 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.653 7.454 0.213 1.00 0.00 H new ATOM 836 N VAL A 52 8.428 4.598 0.634 1.00 0.00 N ATOM 837 CA VAL A 52 7.722 3.333 0.520 1.00 0.00 C ATOM 838 C VAL A 52 7.026 3.020 1.846 1.00 0.00 C ATOM 839 O VAL A 52 7.447 3.497 2.899 1.00 0.00 O ATOM 840 CB VAL A 52 8.690 2.233 0.078 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.250 0.869 0.613 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.830 2.205 -1.445 1.00 0.00 C ATOM 0 H VAL A 52 8.782 4.806 1.568 1.00 0.00 H new ATOM 0 HA VAL A 52 6.948 3.395 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 52 9.669 2.459 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.955 0.105 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.226 0.896 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.256 0.633 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.523 1.414 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.856 2.015 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.210 3.165 -1.793 1.00 0.00 H new ATOM 852 N ILE A 53 5.974 2.221 1.751 1.00 0.00 N ATOM 853 CA ILE A 53 5.216 1.839 2.930 1.00 0.00 C ATOM 854 C ILE A 53 4.897 0.344 2.864 1.00 0.00 C ATOM 855 O ILE A 53 3.987 -0.070 2.147 1.00 0.00 O ATOM 856 CB ILE A 53 3.978 2.725 3.081 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.163 4.056 2.350 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.625 2.926 4.556 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.883 4.892 2.400 1.00 0.00 C ATOM 0 H ILE A 53 5.628 1.827 0.876 1.00 0.00 H new ATOM 0 HA ILE A 53 5.807 2.000 3.831 1.00 0.00 H new ATOM 0 HB ILE A 53 3.135 2.216 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.983 4.613 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.439 3.870 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.741 3.559 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.421 1.959 5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.461 3.403 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.042 5.833 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.071 4.342 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.623 5.097 3.438 1.00 0.00 H new ATOM 871 N ASP A 54 5.665 -0.426 3.620 1.00 0.00 N ATOM 872 CA ASP A 54 5.476 -1.867 3.657 1.00 0.00 C ATOM 873 C ASP A 54 4.038 -2.178 4.076 1.00 0.00 C ATOM 874 O ASP A 54 3.604 -1.783 5.157 1.00 0.00 O ATOM 875 CB ASP A 54 6.416 -2.520 4.671 1.00 0.00 C ATOM 876 CG ASP A 54 6.515 -4.044 4.574 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.662 -4.624 3.868 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.441 -4.594 5.208 1.00 0.00 O ATOM 0 H ASP A 54 6.420 -0.080 4.212 1.00 0.00 H new ATOM 0 HA ASP A 54 5.689 -2.260 2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.413 -2.098 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.083 -2.256 5.675 1.00 0.00 H new ATOM 883 N LEU A 55 3.339 -2.882 3.198 1.00 0.00 N ATOM 884 CA LEU A 55 1.959 -3.251 3.463 1.00 0.00 C ATOM 885 C LEU A 55 1.924 -4.338 4.539 1.00 0.00 C ATOM 886 O LEU A 55 0.941 -4.463 5.268 1.00 0.00 O ATOM 887 CB LEU A 55 1.251 -3.646 2.166 1.00 0.00 C ATOM 888 CG LEU A 55 1.098 -2.539 1.121 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.600 -3.106 -0.210 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.198 -1.416 1.639 1.00 0.00 C ATOM 0 H LEU A 55 3.703 -3.207 2.302 1.00 0.00 H new ATOM 0 HA LEU A 55 1.405 -2.397 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.799 -4.472 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.259 -4.021 2.417 1.00 0.00 H new ATOM 0 HG LEU A 55 2.081 -2.104 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.500 -2.298 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.314 -3.841 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.369 -3.583 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.106 -0.642 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.789 -1.818 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.634 -0.987 2.541 1.00 0.00 H new ATOM 902 N ALA A 56 3.008 -5.097 4.604 1.00 0.00 N ATOM 903 CA ALA A 56 3.113 -6.170 5.578 1.00 0.00 C ATOM 904 C ALA A 56 3.270 -5.569 6.977 1.00 0.00 C ATOM 905 O ALA A 56 3.219 -6.287 7.974 1.00 0.00 O ATOM 906 CB ALA A 56 4.279 -7.087 5.203 1.00 0.00 C ATOM 0 H ALA A 56 3.821 -4.990 3.998 1.00 0.00 H new ATOM 0 HA ALA A 56 2.208 -6.777 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.358 -7.892 5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.105 -7.510 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.205 -6.513 5.194 1.00 0.00 H new ATOM 912 N GLU A 57 3.458 -4.258 7.005 1.00 0.00 N ATOM 913 CA GLU A 57 3.622 -3.553 8.265 1.00 0.00 C ATOM 914 C GLU A 57 2.300 -2.911 8.690 1.00 0.00 C ATOM 915 O GLU A 57 2.087 -2.646 9.872 1.00 0.00 O ATOM 916 CB GLU A 57 4.733 -2.506 8.166 1.00 0.00 C ATOM 917 CG GLU A 57 6.112 -3.169 8.145 1.00 0.00 C ATOM 918 CD GLU A 57 7.222 -2.132 8.323 1.00 0.00 C ATOM 919 OE1 GLU A 57 7.001 -0.982 7.886 1.00 0.00 O ATOM 920 OE2 GLU A 57 8.268 -2.512 8.892 1.00 0.00 O ATOM 0 H GLU A 57 3.500 -3.666 6.176 1.00 0.00 H new ATOM 0 HA GLU A 57 3.914 -4.275 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.598 -1.912 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.668 -1.821 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.174 -3.913 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.251 -3.697 7.202 1.00 0.00 H new ATOM 927 N VAL A 58 1.447 -2.679 7.703 1.00 0.00 N ATOM 928 CA VAL A 58 0.152 -2.073 7.961 1.00 0.00 C ATOM 929 C VAL A 58 -0.625 -2.942 8.952 1.00 0.00 C ATOM 930 O VAL A 58 -0.767 -4.146 8.748 1.00 0.00 O ATOM 931 CB VAL A 58 -0.595 -1.855 6.643 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.050 -1.457 6.898 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.115 -0.815 5.776 1.00 0.00 C ATOM 0 H VAL A 58 1.627 -2.900 6.724 1.00 0.00 H new ATOM 0 HA VAL A 58 0.274 -1.090 8.417 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.597 -2.799 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.559 -1.308 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.551 -2.247 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.079 -0.532 7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.436 -0.679 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.163 0.133 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.126 -1.157 5.552 1.00 0.00 H new ATOM 943 N GLU A 59 -1.107 -2.297 10.004 1.00 0.00 N ATOM 944 CA GLU A 59 -1.865 -2.995 11.028 1.00 0.00 C ATOM 945 C GLU A 59 -3.357 -2.978 10.687 1.00 0.00 C ATOM 946 O GLU A 59 -4.086 -3.909 11.029 1.00 0.00 O ATOM 947 CB GLU A 59 -1.611 -2.388 12.409 1.00 0.00 C ATOM 948 CG GLU A 59 -0.213 -2.746 12.916 1.00 0.00 C ATOM 949 CD GLU A 59 -0.001 -2.238 14.344 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.256 -1.034 14.562 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.412 -3.065 15.185 1.00 0.00 O ATOM 0 H GLU A 59 -0.987 -1.298 10.169 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.530 -4.032 11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.717 -1.304 12.359 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.361 -2.750 13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.077 -3.827 12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.539 -2.313 12.257 1.00 0.00 H new ATOM 958 N ALA A 60 -3.767 -1.910 10.019 1.00 0.00 N ATOM 959 CA ALA A 60 -5.158 -1.760 9.629 1.00 0.00 C ATOM 960 C ALA A 60 -5.427 -0.297 9.269 1.00 0.00 C ATOM 961 O ALA A 60 -4.553 0.555 9.424 1.00 0.00 O ATOM 962 CB ALA A 60 -6.062 -2.258 10.758 1.00 0.00 C ATOM 0 H ALA A 60 -3.160 -1.140 9.738 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.376 -2.362 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.106 -2.145 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.852 -3.309 10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.873 -1.675 11.659 1.00 0.00 H new ATOM 968 N VAL A 61 -6.640 -0.051 8.796 1.00 0.00 N ATOM 969 CA VAL A 61 -7.035 1.294 8.413 1.00 0.00 C ATOM 970 C VAL A 61 -8.463 1.558 8.895 1.00 0.00 C ATOM 971 O VAL A 61 -9.227 0.623 9.126 1.00 0.00 O ATOM 972 CB VAL A 61 -6.871 1.478 6.903 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.021 0.144 6.169 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.860 2.514 6.366 1.00 0.00 C ATOM 0 H VAL A 61 -7.362 -0.760 8.669 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.389 2.032 8.889 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.863 1.850 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.900 0.303 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.260 -0.552 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.010 -0.270 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.722 2.625 5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.879 2.184 6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.685 3.472 6.855 1.00 0.00 H new ATOM 984 N ALA A 62 -8.779 2.837 9.034 1.00 0.00 N ATOM 985 CA ALA A 62 -10.102 3.237 9.484 1.00 0.00 C ATOM 986 C ALA A 62 -10.508 4.531 8.777 1.00 0.00 C ATOM 987 O ALA A 62 -9.669 5.394 8.523 1.00 0.00 O ATOM 988 CB ALA A 62 -10.100 3.381 11.008 1.00 0.00 C ATOM 0 H ALA A 62 -8.142 3.610 8.843 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.840 2.477 9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.092 3.681 11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.834 2.427 11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.372 4.138 11.301 1.00 0.00 H new ATOM 994 N PRO A 63 -11.829 4.628 8.470 1.00 0.00 N ATOM 995 CA PRO A 63 -12.357 5.803 7.797 1.00 0.00 C ATOM 996 C PRO A 63 -12.458 6.987 8.759 1.00 0.00 C ATOM 997 O PRO A 63 -13.146 6.909 9.776 1.00 0.00 O ATOM 998 CB PRO A 63 -13.705 5.368 7.246 1.00 0.00 C ATOM 999 CG PRO A 63 -14.090 4.119 8.023 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.852 3.626 8.755 1.00 0.00 C ATOM 0 HA PRO A 63 -11.709 6.155 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.451 6.153 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.641 5.159 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.889 4.341 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.466 3.350 7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.034 3.539 9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.550 2.640 8.402 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.762 8.058 8.405 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.764 9.257 9.225 1.00 0.00 C ATOM 1010 C GLY A 64 -12.690 10.323 8.634 1.00 0.00 C ATOM 1011 O GLY A 64 -13.400 10.065 7.663 1.00 0.00 O ATOM 0 H GLY A 64 -11.193 8.120 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.087 9.010 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.751 9.652 9.301 1.00 0.00 H new ATOM 1015 N THR A 65 -12.653 11.498 9.245 1.00 0.00 N ATOM 1016 CA THR A 65 -13.480 12.603 8.793 1.00 0.00 C ATOM 1017 C THR A 65 -12.607 13.727 8.230 1.00 0.00 C ATOM 1018 O THR A 65 -11.411 13.789 8.512 1.00 0.00 O ATOM 1019 CB THR A 65 -14.360 13.046 9.963 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.522 12.891 11.105 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.522 12.084 10.219 1.00 0.00 C ATOM 0 H THR A 65 -12.063 11.709 10.050 1.00 0.00 H new ATOM 0 HA THR A 65 -14.132 12.299 7.974 1.00 0.00 H new ATOM 0 HB THR A 65 -14.752 14.043 9.765 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.013 13.158 11.910 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.115 12.445 11.059 1.00 0.00 H new ATOM 0 HG22 THR A 65 -16.150 12.027 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.130 11.094 10.450 1.00 0.00 H new ATOM 1029 N PRO A 66 -13.255 14.609 7.424 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.551 15.727 6.819 1.00 0.00 C ATOM 1031 C PRO A 66 -12.271 16.822 7.850 1.00 0.00 C ATOM 1032 O PRO A 66 -13.199 17.429 8.383 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.452 16.194 5.687 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.830 15.627 5.990 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.671 14.567 7.068 1.00 0.00 C ATOM 0 HA PRO A 66 -11.568 15.448 6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.480 17.282 5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.086 15.838 4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.502 16.416 6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.271 15.195 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.303 14.781 7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.958 13.582 6.700 1.00 0.00 H new ATOM 1043 N THR A 67 -10.989 17.040 8.101 1.00 0.00 N ATOM 1044 CA THR A 67 -10.575 18.051 9.059 1.00 0.00 C ATOM 1045 C THR A 67 -10.192 19.345 8.338 1.00 0.00 C ATOM 1046 O THR A 67 -10.354 19.454 7.123 1.00 0.00 O ATOM 1047 CB THR A 67 -9.441 17.467 9.903 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.459 17.082 8.945 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.833 16.154 10.583 1.00 0.00 C ATOM 0 H THR A 67 -10.223 16.534 7.657 1.00 0.00 H new ATOM 0 HA THR A 67 -11.392 18.319 9.728 1.00 0.00 H new ATOM 0 HB THR A 67 -9.141 18.192 10.660 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.952 16.315 9.286 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.992 15.783 11.169 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.686 16.325 11.240 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.100 15.418 9.825 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.691 20.293 9.116 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.284 21.575 8.567 1.00 0.00 C ATOM 1059 C ILE A 68 -8.030 21.382 7.710 1.00 0.00 C ATOM 1060 O ILE A 68 -7.106 20.674 8.107 1.00 0.00 O ATOM 1061 CB ILE A 68 -9.113 22.607 9.683 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.465 22.982 10.294 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.349 23.834 9.184 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.422 22.888 11.821 1.00 0.00 C ATOM 0 H ILE A 68 -9.558 20.199 10.123 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.060 21.973 7.914 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.515 22.157 10.475 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.734 23.995 9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.239 22.320 9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.242 24.551 9.998 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.362 23.531 8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.898 24.296 8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.395 23.160 12.230 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.176 21.868 12.116 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.664 23.570 12.206 1.00 0.00 H new ATOM 1076 N GLY A 69 -8.039 22.026 6.552 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.915 21.935 5.637 1.00 0.00 C ATOM 1078 C GLY A 69 -7.225 20.982 4.480 1.00 0.00 C ATOM 1079 O GLY A 69 -6.867 21.254 3.335 1.00 0.00 O ATOM 0 H GLY A 69 -8.807 22.613 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.680 22.924 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.032 21.587 6.173 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.887 19.886 4.820 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.250 18.892 3.824 1.00 0.00 C ATOM 1085 C ALA A 70 -8.884 19.591 2.619 1.00 0.00 C ATOM 1086 O ALA A 70 -9.257 20.760 2.701 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.183 17.856 4.453 1.00 0.00 C ATOM 0 H ALA A 70 -8.181 19.664 5.771 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.365 18.363 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.455 17.110 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.676 17.368 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.084 18.351 4.817 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.988 18.826 1.500 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.570 19.359 0.280 1.00 0.00 C ATOM 1095 C PRO A 71 -11.092 19.458 0.397 1.00 0.00 C ATOM 1096 O PRO A 71 -11.671 19.035 1.396 1.00 0.00 O ATOM 1097 CB PRO A 71 -9.119 18.410 -0.818 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.693 17.131 -0.116 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.557 17.437 1.367 1.00 0.00 C ATOM 0 HA PRO A 71 -9.243 20.377 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.927 18.217 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.293 18.836 -1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.429 16.343 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.747 16.771 -0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.177 16.771 1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.529 17.307 1.705 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.698 20.019 -0.640 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.142 20.179 -0.666 1.00 0.00 C ATOM 1109 C LYS A 72 -13.754 19.100 -1.562 1.00 0.00 C ATOM 1110 O LYS A 72 -14.729 18.454 -1.183 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.515 21.605 -1.078 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.624 22.518 0.145 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.833 23.448 0.029 1.00 0.00 C ATOM 1114 CE LYS A 72 -15.544 23.593 1.376 1.00 0.00 C ATOM 1115 NZ LYS A 72 -16.269 24.882 1.444 1.00 0.00 N ATOM 0 H LYS A 72 -11.215 20.368 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.559 20.040 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.764 21.998 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.463 21.596 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.711 21.914 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.714 23.110 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.510 24.428 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.528 23.056 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.243 22.768 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.817 23.535 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.746 24.964 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.595 25.666 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.977 24.923 0.683 1.00 0.00 H new ATOM 1129 N THR A 73 -13.156 18.939 -2.733 1.00 0.00 N ATOM 1130 CA THR A 73 -13.629 17.950 -3.686 1.00 0.00 C ATOM 1131 C THR A 73 -13.975 16.643 -2.969 1.00 0.00 C ATOM 1132 O THR A 73 -15.092 16.141 -3.090 1.00 0.00 O ATOM 1133 CB THR A 73 -12.560 17.785 -4.768 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.329 17.864 -4.055 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.512 18.975 -5.729 1.00 0.00 C ATOM 0 H THR A 73 -12.347 19.477 -3.044 1.00 0.00 H new ATOM 0 HA THR A 73 -14.551 18.275 -4.168 1.00 0.00 H new ATOM 0 HB THR A 73 -12.751 16.871 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.581 17.765 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.737 18.808 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.477 19.082 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.288 19.884 -5.171 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.997 16.129 -2.239 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.184 14.890 -1.503 1.00 0.00 C ATOM 1145 C VAL A 74 -14.294 15.079 -0.468 1.00 0.00 C ATOM 1146 O VAL A 74 -14.555 16.198 -0.030 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.858 14.445 -0.883 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -12.038 13.165 -0.064 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.784 14.262 -1.957 1.00 0.00 C ATOM 0 H VAL A 74 -12.072 16.548 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.498 14.091 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.524 15.232 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.081 12.870 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.756 13.343 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.406 12.368 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.852 13.946 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.108 13.504 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.626 15.206 -2.478 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.919 13.967 -0.108 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.996 13.997 0.867 1.00 0.00 C ATOM 1161 C ASP A 75 -15.477 13.477 2.209 1.00 0.00 C ATOM 1162 O ASP A 75 -14.270 13.459 2.448 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.158 13.102 0.431 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.542 13.750 0.520 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.778 14.693 -0.265 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.331 13.287 1.371 1.00 0.00 O ATOM 0 H ASP A 75 -14.700 13.040 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.345 15.026 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.987 12.786 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.154 12.202 1.046 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.414 13.067 3.051 1.00 0.00 N ATOM 1172 CA GLU A 76 -16.067 12.548 4.363 1.00 0.00 C ATOM 1173 C GLU A 76 -15.957 11.023 4.319 1.00 0.00 C ATOM 1174 O GLU A 76 -15.181 10.431 5.068 1.00 0.00 O ATOM 1175 CB GLU A 76 -17.083 12.994 5.416 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.452 12.361 5.160 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.580 13.344 5.478 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.475 14.499 5.010 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.522 12.920 6.182 1.00 0.00 O ATOM 0 H GLU A 76 -17.414 13.084 2.850 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.096 12.955 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.729 12.715 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.173 14.080 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.522 12.047 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.562 11.465 5.771 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.745 10.430 3.434 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.746 8.985 3.283 1.00 0.00 C ATOM 1188 C LYS A 77 -15.616 8.575 2.336 1.00 0.00 C ATOM 1189 O LYS A 77 -15.841 7.837 1.378 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.127 8.493 2.841 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.217 9.000 3.787 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.610 8.731 3.213 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.805 7.241 2.925 1.00 0.00 C ATOM 1194 NZ LYS A 77 -20.685 6.452 4.171 1.00 0.00 N ATOM 0 H LYS A 77 -17.387 10.924 2.814 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.552 8.502 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.332 8.836 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.139 7.403 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.119 8.511 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.089 10.069 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.369 9.072 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.746 9.303 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.785 7.077 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.063 6.904 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.017 5.481 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.690 6.430 4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.264 6.890 4.916 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.426 9.071 2.638 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.260 8.766 1.826 1.00 0.00 C ATOM 1210 C ALA A 78 -12.017 8.731 2.718 1.00 0.00 C ATOM 1211 O ALA A 78 -11.213 7.804 2.633 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.139 9.793 0.698 1.00 0.00 C ATOM 0 H ALA A 78 -14.243 9.682 3.434 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.362 7.784 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.264 9.564 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.033 9.757 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.033 10.791 1.124 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.899 9.752 3.554 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.768 9.850 4.461 1.00 0.00 C ATOM 1220 C PHE A 79 -10.559 8.539 5.220 1.00 0.00 C ATOM 1221 O PHE A 79 -11.489 8.014 5.830 1.00 0.00 O ATOM 1222 CB PHE A 79 -11.094 10.959 5.464 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.912 12.373 4.909 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.896 12.944 4.164 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.765 13.060 5.161 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.727 14.256 3.649 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.595 14.372 4.646 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.580 14.943 3.901 1.00 0.00 C ATOM 0 H PHE A 79 -12.568 10.519 3.622 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.858 10.063 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.125 10.841 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.458 10.840 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.807 12.399 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.984 12.607 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.509 14.709 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.684 14.917 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.451 15.941 3.510 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.330 8.046 5.157 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.987 6.805 5.831 1.00 0.00 C ATOM 1240 C PHE A 80 -7.553 6.849 6.364 1.00 0.00 C ATOM 1241 O PHE A 80 -6.626 7.199 5.634 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.098 5.687 4.793 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.069 5.781 3.664 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.207 6.725 2.695 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -7.016 4.921 3.630 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.252 6.813 1.648 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.062 5.008 2.582 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.200 5.953 1.613 1.00 0.00 C ATOM 0 H PHE A 80 -8.560 8.483 4.650 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.656 6.643 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.984 4.726 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.099 5.704 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.043 7.408 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.905 4.172 4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.362 7.564 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.227 4.324 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.474 6.020 0.816 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.416 6.491 7.632 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.111 6.485 8.271 1.00 0.00 C ATOM 1260 C ASP A 81 -5.468 5.107 8.097 1.00 0.00 C ATOM 1261 O ASP A 81 -6.126 4.084 8.280 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.231 6.765 9.770 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.425 7.966 10.271 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.136 8.845 9.430 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.117 7.977 11.482 1.00 0.00 O ATOM 0 H ASP A 81 -8.187 6.203 8.234 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.505 7.262 7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.282 6.926 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.911 5.878 10.317 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.191 5.126 7.746 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.452 3.891 7.545 1.00 0.00 C ATOM 1272 C VAL A 82 -2.512 3.665 8.731 1.00 0.00 C ATOM 1273 O VAL A 82 -1.584 4.442 8.948 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.721 3.931 6.202 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.713 2.784 6.092 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.712 3.903 5.037 1.00 0.00 C ATOM 0 H VAL A 82 -3.649 5.977 7.596 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.133 3.041 7.504 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.169 4.869 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.207 2.835 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.978 2.868 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.235 1.831 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.166 3.932 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.304 2.989 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.373 4.767 5.101 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.786 2.598 9.468 1.00 0.00 N ATOM 1287 CA LYS A 83 -1.976 2.261 10.626 1.00 0.00 C ATOM 1288 C LYS A 83 -0.871 1.291 10.205 1.00 0.00 C ATOM 1289 O LYS A 83 -1.125 0.333 9.476 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.857 1.734 11.760 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.820 2.816 12.255 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.688 2.294 13.402 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.272 3.451 14.217 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.529 3.036 14.877 1.00 0.00 N ATOM 0 H LYS A 83 -3.557 1.956 9.285 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.486 3.151 11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.423 0.869 11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.230 1.395 12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.255 3.686 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.456 3.145 11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.496 1.682 13.002 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.092 1.652 14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.551 3.776 14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.461 4.304 13.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.912 3.832 15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.221 2.748 14.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.339 2.236 15.514 1.00 0.00 H new ATOM 1308 N THR A 84 0.333 1.572 10.682 1.00 0.00 N ATOM 1309 CA THR A 84 1.478 0.737 10.364 1.00 0.00 C ATOM 1310 C THR A 84 2.346 0.526 11.606 1.00 0.00 C ATOM 1311 O THR A 84 1.951 0.891 12.713 1.00 0.00 O ATOM 1312 CB THR A 84 2.230 1.388 9.201 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.155 2.784 9.477 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.496 1.231 7.868 1.00 0.00 C ATOM 0 H THR A 84 0.540 2.367 11.287 1.00 0.00 H new ATOM 0 HA THR A 84 1.166 -0.259 10.051 1.00 0.00 H new ATOM 0 HB THR A 84 3.225 0.949 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.321 3.290 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.072 1.710 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.378 0.172 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.514 1.699 7.936 1.00 0.00 H new ATOM 1322 N THR A 85 3.511 -0.063 11.382 1.00 0.00 N ATOM 1323 CA THR A 85 4.438 -0.327 12.470 1.00 0.00 C ATOM 1324 C THR A 85 5.208 0.944 12.835 1.00 0.00 C ATOM 1325 O THR A 85 5.418 1.229 14.013 1.00 0.00 O ATOM 1326 CB THR A 85 5.343 -1.486 12.049 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.828 -1.100 10.765 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.560 -2.773 11.780 1.00 0.00 C ATOM 0 H THR A 85 3.835 -0.365 10.463 1.00 0.00 H new ATOM 0 HA THR A 85 3.910 -0.621 13.377 1.00 0.00 H new ATOM 0 HB THR A 85 6.084 -1.668 12.827 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.806 -1.040 10.789 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.250 -3.564 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.030 -3.073 12.684 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.841 -2.601 10.979 1.00 0.00 H new ATOM 1336 N ARG A 86 5.607 1.672 11.803 1.00 0.00 N ATOM 1337 CA ARG A 86 6.349 2.906 12.000 1.00 0.00 C ATOM 1338 C ARG A 86 5.487 3.932 12.737 1.00 0.00 C ATOM 1339 O ARG A 86 5.713 4.209 13.914 1.00 0.00 O ATOM 1340 CB ARG A 86 6.803 3.496 10.664 1.00 0.00 C ATOM 1341 CG ARG A 86 8.269 3.159 10.384 1.00 0.00 C ATOM 1342 CD ARG A 86 8.920 4.231 9.507 1.00 0.00 C ATOM 1343 NE ARG A 86 10.163 4.719 10.144 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.077 5.478 9.524 1.00 0.00 C ATOM 1345 NH1 ARG A 86 10.893 5.839 8.247 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.175 5.875 10.181 1.00 0.00 N ATOM 0 H ARG A 86 5.431 1.431 10.828 1.00 0.00 H new ATOM 0 HA ARG A 86 7.230 2.671 12.597 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.177 3.108 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.671 4.578 10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.813 3.074 11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.335 2.190 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.143 3.821 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.228 5.060 9.358 1.00 0.00 H new ATOM 0 HE ARG A 86 10.335 4.462 11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.057 5.536 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.589 6.417 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.315 5.600 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.871 6.453 9.709 1.00 0.00 H new ATOM 1360 N ARG A 87 4.515 4.469 12.014 1.00 0.00 N ATOM 1361 CA ARG A 87 3.617 5.459 12.584 1.00 0.00 C ATOM 1362 C ARG A 87 2.280 5.453 11.840 1.00 0.00 C ATOM 1363 O ARG A 87 2.116 4.734 10.855 1.00 0.00 O ATOM 1364 CB ARG A 87 4.226 6.860 12.513 1.00 0.00 C ATOM 1365 CG ARG A 87 4.361 7.327 11.062 1.00 0.00 C ATOM 1366 CD ARG A 87 5.630 8.160 10.871 1.00 0.00 C ATOM 1367 NE ARG A 87 5.473 9.062 9.708 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.492 9.674 9.088 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.747 9.485 9.516 1.00 0.00 N ATOM 1370 NH2 ARG A 87 6.255 10.474 8.040 1.00 0.00 N ATOM 0 H ARG A 87 4.330 4.237 11.038 1.00 0.00 H new ATOM 0 HA ARG A 87 3.456 5.198 13.630 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.601 7.560 13.067 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.206 6.859 12.991 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.386 6.462 10.399 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.488 7.918 10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.831 8.743 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.487 7.503 10.719 1.00 0.00 H new ATOM 0 HE ARG A 87 4.530 9.228 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.927 8.875 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.522 9.951 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.299 10.618 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.030 10.940 7.568 1.00 0.00 H new ATOM 1384 N VAL A 88 1.358 6.263 12.339 1.00 0.00 N ATOM 1385 CA VAL A 88 0.040 6.361 11.734 1.00 0.00 C ATOM 1386 C VAL A 88 0.091 7.351 10.569 1.00 0.00 C ATOM 1387 O VAL A 88 0.808 8.349 10.629 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.996 6.738 12.795 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.211 7.415 12.158 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.416 5.514 13.611 1.00 0.00 C ATOM 0 H VAL A 88 1.497 6.858 13.156 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.267 5.397 11.328 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.533 7.452 13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.932 7.673 12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.894 8.321 11.642 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.674 6.734 11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.153 5.810 14.358 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.852 4.767 12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.543 5.092 14.110 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.680 7.042 9.537 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.732 7.892 8.360 1.00 0.00 C ATOM 1402 C TYR A 89 -2.157 8.386 8.103 1.00 0.00 C ATOM 1403 O TYR A 89 -3.118 7.817 8.619 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.289 7.016 7.187 1.00 0.00 C ATOM 1405 CG TYR A 89 1.127 6.453 7.330 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.148 7.263 7.783 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.382 5.136 7.006 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.481 6.734 7.917 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.714 4.607 7.141 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.698 5.432 7.590 1.00 0.00 C ATOM 1411 OH TYR A 89 4.957 4.932 7.717 1.00 0.00 O ATOM 0 H TYR A 89 -1.274 6.214 9.492 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.096 8.768 8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.989 6.187 7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.345 7.601 6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.948 8.293 8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.583 4.502 6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.290 7.357 8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.927 3.578 6.891 1.00 0.00 H new ATOM 0 HH TYR A 89 4.963 3.989 7.449 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.249 9.439 7.305 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.541 10.016 6.973 1.00 0.00 C ATOM 1423 C ASN A 90 -3.637 10.203 5.458 1.00 0.00 C ATOM 1424 O ASN A 90 -3.214 11.229 4.927 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.718 11.386 7.631 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.181 11.242 9.082 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.356 11.338 9.398 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.196 11.007 9.943 1.00 0.00 N ATOM 0 H ASN A 90 -1.450 9.908 6.878 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.315 9.340 7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.776 11.933 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.446 11.972 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.402 10.895 10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.234 10.938 9.611 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.196 9.195 4.803 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.353 9.236 3.359 1.00 0.00 C ATOM 1437 C PHE A 91 -5.807 9.519 2.974 1.00 0.00 C ATOM 1438 O PHE A 91 -6.702 9.442 3.814 1.00 0.00 O ATOM 1439 CB PHE A 91 -3.956 7.858 2.827 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.468 7.535 2.984 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.538 8.510 2.797 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.076 6.275 3.310 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.158 8.211 2.943 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.696 5.976 3.455 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.234 6.950 3.268 1.00 0.00 C ATOM 0 H PHE A 91 -4.546 8.345 5.246 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.733 10.028 2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.539 7.098 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.221 7.797 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.849 9.511 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.815 5.501 3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.581 8.985 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.385 4.975 3.714 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.284 6.722 3.378 1.00 0.00 H new ATOM 1455 N CYS A 92 -5.996 9.840 1.702 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.325 10.135 1.195 1.00 0.00 C ATOM 1457 C CYS A 92 -7.354 9.802 -0.298 1.00 0.00 C ATOM 1458 O CYS A 92 -6.308 9.716 -0.939 1.00 0.00 O ATOM 1459 CB CYS A 92 -7.724 11.587 1.463 1.00 0.00 C ATOM 1460 SG CYS A 92 -9.510 11.685 1.848 1.00 0.00 S ATOM 0 H CYS A 92 -5.251 9.902 1.008 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.060 9.523 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.142 11.985 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.497 12.202 0.592 1.00 0.00 H new ATOM 0 HG CYS A 92 -9.668 12.095 3.071 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.564 9.623 -0.809 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.743 9.301 -2.214 1.00 0.00 C ATOM 1468 C ALA A 93 -9.435 10.471 -2.917 1.00 0.00 C ATOM 1469 O ALA A 93 -9.813 11.450 -2.274 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.530 7.996 -2.343 1.00 0.00 C ATOM 0 H ALA A 93 -9.430 9.695 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.778 9.149 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.664 7.755 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.982 7.191 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.505 8.111 -1.870 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.580 10.332 -4.226 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.219 11.365 -5.023 1.00 0.00 C ATOM 1478 C GLN A 94 -11.696 11.029 -5.241 1.00 0.00 C ATOM 1479 O GLN A 94 -12.254 11.324 -6.296 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.497 11.553 -6.358 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.554 12.757 -6.306 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.023 13.863 -7.253 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -9.987 14.566 -6.999 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.290 13.978 -8.357 1.00 0.00 N ATOM 0 H GLN A 94 -9.266 9.519 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.157 12.307 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -8.931 10.653 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.228 11.693 -7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.506 13.142 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.545 12.445 -6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.495 13.357 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.523 14.687 -9.052 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.287 10.417 -4.225 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.688 10.037 -4.292 1.00 0.00 C ATOM 1495 C ASP A 95 -14.046 9.206 -3.059 1.00 0.00 C ATOM 1496 O ASP A 95 -13.162 8.715 -2.358 1.00 0.00 O ATOM 1497 CB ASP A 95 -13.970 9.188 -5.533 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.234 9.571 -6.305 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.075 10.275 -5.704 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.332 9.151 -7.478 1.00 0.00 O ATOM 0 H ASP A 95 -11.821 10.175 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.283 10.949 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.116 9.260 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.050 8.144 -5.230 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.345 9.073 -2.831 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.831 8.309 -1.695 1.00 0.00 C ATOM 1507 C VAL A 96 -15.692 6.815 -1.993 1.00 0.00 C ATOM 1508 O VAL A 96 -15.217 6.052 -1.153 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.267 8.722 -1.363 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.077 7.527 -0.857 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.287 9.867 -0.348 1.00 0.00 C ATOM 0 H VAL A 96 -16.075 9.482 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.233 8.520 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.734 9.079 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.093 7.847 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.104 6.754 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.611 7.127 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.319 10.141 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.794 9.548 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.762 10.729 -0.761 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.128 6.432 -3.223 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.057 5.042 -3.642 1.00 0.00 C ATOM 1523 C PRO A 97 -14.620 4.647 -3.990 1.00 0.00 C ATOM 1524 O PRO A 97 -14.298 3.462 -4.060 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.004 4.940 -4.827 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.213 6.364 -5.317 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.697 7.307 -4.243 1.00 0.00 C ATOM 0 HA PRO A 97 -16.350 4.349 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.580 4.315 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.950 4.485 -4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.682 6.527 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.269 6.549 -5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -15.947 7.989 -4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.501 7.920 -3.835 1.00 0.00 H new ATOM 1535 N SER A 98 -13.795 5.662 -4.198 1.00 0.00 N ATOM 1536 CA SER A 98 -12.400 5.436 -4.537 1.00 0.00 C ATOM 1537 C SER A 98 -11.608 5.080 -3.277 1.00 0.00 C ATOM 1538 O SER A 98 -10.682 4.271 -3.330 1.00 0.00 O ATOM 1539 CB SER A 98 -11.792 6.664 -5.217 1.00 0.00 C ATOM 1540 OG SER A 98 -12.339 6.881 -6.515 1.00 0.00 O ATOM 0 H SER A 98 -14.066 6.644 -4.138 1.00 0.00 H new ATOM 0 HA SER A 98 -12.349 4.604 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.966 7.544 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.712 6.538 -5.295 1.00 0.00 H new ATOM 0 HG SER A 98 -11.820 7.572 -6.978 1.00 0.00 H new ATOM 1546 N ALA A 99 -11.999 5.701 -2.175 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.337 5.460 -0.904 1.00 0.00 C ATOM 1548 C ALA A 99 -11.656 4.041 -0.429 1.00 0.00 C ATOM 1549 O ALA A 99 -10.750 3.266 -0.125 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.768 6.524 0.107 1.00 0.00 C ATOM 0 H ALA A 99 -12.767 6.371 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.255 5.536 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.271 6.343 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.492 7.511 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.848 6.477 0.246 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.946 3.744 -0.380 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.395 2.432 0.053 1.00 0.00 C ATOM 1558 C GLN A 100 -12.578 1.336 -0.634 1.00 0.00 C ATOM 1559 O GLN A 100 -12.128 0.393 0.014 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.891 2.249 -0.214 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.717 3.269 0.572 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.042 2.749 1.973 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -15.438 1.813 2.472 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -17.027 3.406 2.579 1.00 0.00 N ATOM 0 H GLN A 100 -13.694 4.389 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.238 2.354 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.090 2.359 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.193 1.239 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.167 4.207 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.642 3.484 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.491 4.181 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.318 3.135 3.518 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.409 1.499 -1.938 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.653 0.536 -2.721 1.00 0.00 C ATOM 1575 C GLN A 101 -10.203 0.478 -2.235 1.00 0.00 C ATOM 1576 O GLN A 101 -9.590 -0.588 -2.226 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.718 0.869 -4.213 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.103 0.557 -4.784 1.00 0.00 C ATOM 1579 CD GLN A 101 -13.019 0.231 -6.277 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.627 -0.852 -6.680 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.408 1.224 -7.070 1.00 0.00 N ATOM 0 H GLN A 101 -12.783 2.284 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.102 -0.447 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.487 1.923 -4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.962 0.297 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.540 -0.285 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.764 1.410 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.725 2.105 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.390 1.105 -8.083 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.698 1.638 -1.842 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.332 1.733 -1.356 1.00 0.00 C ATOM 1592 C TRP A 102 -8.244 0.959 -0.039 1.00 0.00 C ATOM 1593 O TRP A 102 -7.375 0.103 0.125 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.898 3.194 -1.220 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.152 3.737 -2.440 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.580 4.637 -3.337 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.820 3.377 -2.864 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.626 4.881 -4.303 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.521 4.091 -4.006 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.898 2.478 -2.300 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.301 3.980 -4.683 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.683 2.377 -2.988 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.367 3.089 -4.140 1.00 0.00 C ATOM 0 H TRP A 102 -10.210 2.520 -1.850 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.638 1.288 -2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.780 3.809 -1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.259 3.292 -0.343 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.550 5.111 -3.307 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.715 5.523 -5.091 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.110 1.910 -1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.091 4.551 -5.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.939 1.699 -2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.406 2.955 -4.614 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.155 1.287 0.865 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.191 0.633 2.162 1.00 0.00 C ATOM 1616 C VAL A 103 -9.416 -0.868 1.966 1.00 0.00 C ATOM 1617 O VAL A 103 -8.622 -1.684 2.431 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.254 1.286 3.048 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.389 0.544 4.379 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -9.944 2.767 3.275 1.00 0.00 C ATOM 0 H VAL A 103 -9.874 1.997 0.725 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.238 0.754 2.677 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.210 1.220 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.151 1.028 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.678 -0.490 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.435 0.564 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.715 3.207 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.974 2.865 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.922 3.285 2.316 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.502 -1.186 1.277 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.842 -2.574 1.014 1.00 0.00 C ATOM 1632 C ASP A 104 -9.588 -3.324 0.560 1.00 0.00 C ATOM 1633 O ASP A 104 -9.308 -4.420 1.042 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.887 -2.683 -0.099 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.691 -3.985 -0.104 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.045 -5.052 -0.035 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.935 -3.883 -0.176 1.00 0.00 O ATOM 0 H ASP A 104 -11.158 -0.506 0.893 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.246 -3.003 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.580 -1.846 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.384 -2.580 -1.061 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.867 -2.703 -0.362 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.650 -3.298 -0.886 1.00 0.00 C ATOM 1644 C ARG A 105 -6.628 -3.492 0.236 1.00 0.00 C ATOM 1645 O ARG A 105 -6.233 -4.619 0.532 1.00 0.00 O ATOM 1646 CB ARG A 105 -7.035 -2.423 -1.980 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.079 -3.129 -3.337 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.204 -2.403 -4.362 1.00 0.00 C ATOM 1649 NE ARG A 105 -5.064 -3.262 -4.752 1.00 0.00 N ATOM 1650 CZ ARG A 105 -5.177 -4.363 -5.507 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -6.379 -4.747 -5.957 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -4.087 -5.081 -5.811 1.00 0.00 N ATOM 0 H ARG A 105 -9.103 -1.794 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.913 -4.265 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.574 -1.478 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -6.003 -2.185 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.738 -4.158 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.107 -3.171 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.795 -2.148 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.837 -1.467 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.134 -2.999 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.209 -4.201 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.464 -5.585 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.172 -4.789 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -4.172 -5.919 -6.386 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.229 -2.377 0.829 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.261 -2.410 1.912 1.00 0.00 C ATOM 1668 C ILE A 106 -5.720 -3.415 2.970 1.00 0.00 C ATOM 1669 O ILE A 106 -4.950 -4.279 3.387 1.00 0.00 O ATOM 1670 CB ILE A 106 -5.024 -1.002 2.463 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.401 -0.095 1.400 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.185 -1.047 3.741 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.882 1.348 1.560 1.00 0.00 C ATOM 0 H ILE A 106 -6.559 -1.444 0.580 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.292 -2.751 1.546 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.990 -0.572 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.314 -0.131 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.661 -0.461 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.032 -0.033 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.705 -1.635 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.219 -1.505 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.424 1.971 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.967 1.384 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.599 1.719 2.545 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.973 -3.269 3.375 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.544 -4.153 4.376 1.00 0.00 C ATOM 1687 C GLN A 107 -7.496 -5.604 3.893 1.00 0.00 C ATOM 1688 O GLN A 107 -7.673 -6.531 4.682 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.975 -3.738 4.722 1.00 0.00 C ATOM 1690 CG GLN A 107 -9.014 -2.941 6.028 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.164 -3.872 7.234 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.306 -5.077 7.106 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.126 -3.247 8.407 1.00 0.00 N ATOM 0 H GLN A 107 -7.609 -2.551 3.028 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.948 -4.073 5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.389 -3.137 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.602 -4.625 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.101 -2.355 6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.844 -2.235 6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.004 -2.235 8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.218 -3.780 9.272 1.00 0.00 H new ATOM 1702 N SER A 108 -7.256 -5.755 2.599 1.00 0.00 N ATOM 1703 CA SER A 108 -7.182 -7.078 2.001 1.00 0.00 C ATOM 1704 C SER A 108 -5.722 -7.523 1.895 1.00 0.00 C ATOM 1705 O SER A 108 -5.442 -8.655 1.503 1.00 0.00 O ATOM 1706 CB SER A 108 -7.844 -7.096 0.622 1.00 0.00 C ATOM 1707 OG SER A 108 -7.944 -8.416 0.095 1.00 0.00 O ATOM 0 H SER A 108 -7.110 -4.984 1.948 1.00 0.00 H new ATOM 0 HA SER A 108 -7.722 -7.775 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.839 -6.657 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.269 -6.474 -0.064 1.00 0.00 H new ATOM 0 HG SER A 108 -7.188 -8.953 0.413 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.831 -6.610 2.251 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.407 -6.895 2.201 1.00 0.00 C ATOM 1715 C CYS A 109 -2.944 -7.282 3.607 1.00 0.00 C ATOM 1716 O CYS A 109 -1.976 -8.024 3.764 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.612 -5.712 1.644 1.00 0.00 C ATOM 1718 SG CYS A 109 -2.224 -4.532 2.987 1.00 0.00 S ATOM 0 H CYS A 109 -5.067 -5.672 2.575 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.224 -7.725 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -1.690 -6.067 1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.186 -5.212 0.864 1.00 0.00 H new ATOM 0 HG CYS A 109 -3.301 -3.885 3.321 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.659 -6.762 4.594 1.00 0.00 N ATOM 1725 CA LEU A 110 -3.334 -7.044 5.982 1.00 0.00 C ATOM 1726 C LEU A 110 -2.869 -8.496 6.108 1.00 0.00 C ATOM 1727 O LEU A 110 -1.975 -8.799 6.897 1.00 0.00 O ATOM 1728 CB LEU A 110 -4.515 -6.695 6.890 1.00 0.00 C ATOM 1729 CG LEU A 110 -5.322 -5.456 6.496 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.293 -5.057 7.609 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.397 -4.303 6.100 1.00 0.00 C ATOM 0 H LEU A 110 -4.462 -6.147 4.460 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.509 -6.415 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.191 -7.550 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.139 -6.552 7.903 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.922 -5.703 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.854 -4.174 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.984 -5.878 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.733 -4.835 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.995 -3.435 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.753 -4.048 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.783 -4.604 5.252 1.00 0.00 H new ATOM 1743 N SER A 111 -3.497 -9.355 5.319 1.00 0.00 N ATOM 1744 CA SER A 111 -3.159 -10.768 5.332 1.00 0.00 C ATOM 1745 C SER A 111 -3.462 -11.392 3.968 1.00 0.00 C ATOM 1746 O SER A 111 -4.578 -11.279 3.465 1.00 0.00 O ATOM 1747 CB SER A 111 -3.921 -11.507 6.434 1.00 0.00 C ATOM 1748 OG SER A 111 -3.657 -10.961 7.724 1.00 0.00 O ATOM 0 H SER A 111 -4.238 -9.100 4.666 1.00 0.00 H new ATOM 0 HA SER A 111 -2.093 -10.862 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.991 -11.457 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.643 -12.561 6.423 1.00 0.00 H new ATOM 0 HG SER A 111 -4.163 -11.459 8.400 1.00 0.00 H new ATOM 1754 N SER A 112 -2.448 -12.036 3.409 1.00 0.00 N ATOM 1755 CA SER A 112 -2.592 -12.677 2.113 1.00 0.00 C ATOM 1756 C SER A 112 -1.240 -13.219 1.645 1.00 0.00 C ATOM 1757 O SER A 112 -0.511 -12.540 0.924 1.00 0.00 O ATOM 1758 CB SER A 112 -3.162 -11.706 1.078 1.00 0.00 C ATOM 1759 OG SER A 112 -2.508 -10.441 1.117 1.00 0.00 O ATOM 0 H SER A 112 -1.523 -12.128 3.830 1.00 0.00 H new ATOM 0 HA SER A 112 -3.292 -13.506 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.060 -12.137 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.228 -11.569 1.258 1.00 0.00 H new ATOM 0 HG SER A 112 -2.899 -9.850 0.441 1.00 0.00 H new ATOM 1765 N GLY A 113 -0.947 -14.439 2.073 1.00 0.00 N ATOM 1766 CA GLY A 113 0.304 -15.080 1.706 1.00 0.00 C ATOM 1767 C GLY A 113 0.290 -15.509 0.237 1.00 0.00 C ATOM 1768 O GLY A 113 -0.774 -15.730 -0.338 1.00 0.00 O ATOM 0 H GLY A 113 -1.555 -15.000 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.133 -14.394 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.471 -15.950 2.341 1.00 0.00 H new ATOM 1772 N PRO A 114 1.516 -15.617 -0.341 1.00 0.00 N ATOM 1773 CA PRO A 114 1.655 -16.017 -1.731 1.00 0.00 C ATOM 1774 C PRO A 114 1.405 -17.517 -1.899 1.00 0.00 C ATOM 1775 O PRO A 114 0.754 -17.939 -2.853 1.00 0.00 O ATOM 1776 CB PRO A 114 3.065 -15.602 -2.121 1.00 0.00 C ATOM 1777 CG PRO A 114 3.819 -15.411 -0.815 1.00 0.00 C ATOM 1778 CD PRO A 114 2.798 -15.364 0.310 1.00 0.00 C ATOM 0 HA PRO A 114 0.920 -15.541 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 114 3.540 -16.364 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 114 3.054 -14.681 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.523 -16.228 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.401 -14.490 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.011 -16.116 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 114 2.804 -14.395 0.810 1.00 0.00 H new ATOM 1786 N SER A 115 1.937 -18.281 -0.956 1.00 0.00 N ATOM 1787 CA SER A 115 1.780 -19.726 -0.987 1.00 0.00 C ATOM 1788 C SER A 115 1.992 -20.305 0.413 1.00 0.00 C ATOM 1789 O SER A 115 1.135 -21.020 0.929 1.00 0.00 O ATOM 1790 CB SER A 115 2.753 -20.364 -1.980 1.00 0.00 C ATOM 1791 OG SER A 115 2.185 -21.499 -2.629 1.00 0.00 O ATOM 0 H SER A 115 2.477 -17.927 -0.166 1.00 0.00 H new ATOM 0 HA SER A 115 0.766 -19.954 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.044 -19.626 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.661 -20.662 -1.457 1.00 0.00 H new ATOM 0 HG SER A 115 2.836 -21.877 -3.256 1.00 0.00 H new ATOM 1797 N SER A 116 3.140 -19.975 0.987 1.00 0.00 N ATOM 1798 CA SER A 116 3.476 -20.454 2.317 1.00 0.00 C ATOM 1799 C SER A 116 4.593 -19.597 2.915 1.00 0.00 C ATOM 1800 O SER A 116 5.287 -18.883 2.192 1.00 0.00 O ATOM 1801 CB SER A 116 3.897 -21.925 2.282 1.00 0.00 C ATOM 1802 OG SER A 116 2.994 -22.755 3.008 1.00 0.00 O ATOM 0 H SER A 116 3.849 -19.382 0.555 1.00 0.00 H new ATOM 0 HA SER A 116 2.588 -20.372 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 116 3.948 -22.263 1.247 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.899 -22.026 2.700 1.00 0.00 H new ATOM 0 HG SER A 116 3.296 -23.686 2.961 1.00 0.00 H new ATOM 1808 N GLY A 117 4.733 -19.695 4.229 1.00 0.00 N ATOM 1809 CA GLY A 117 5.754 -18.938 4.932 1.00 0.00 C ATOM 1810 C GLY A 117 6.017 -19.528 6.319 1.00 0.00 C ATOM 1811 O GLY A 117 5.271 -19.266 7.261 1.00 0.00 O ATOM 0 H GLY A 117 4.156 -20.288 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 117 6.677 -18.939 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 117 5.439 -17.899 5.029 1.00 0.00 H new TER 1815 GLY A 117