USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 47 MET CE :methyl -165:sc= -0.0261 (180deg=-0.31) USER MOD Set 1.2: A 50 CYS SG : rot 29:sc= 0.521 USER MOD Set 2.1: A 25 GLN : amide:sc= 0.934 K(o=2.1,f=-4.9) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0) USER MOD Single : A 3 TYR OH : rot -146:sc= 1.31 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.673) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0195) USER MOD Single : A 20 SER OG : rot -101:sc= 0.0582 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00884 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.654) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.96 (180deg=0.592) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00187) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 58 SER OG : rot 120:sc= -0.442 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.702 USER MOD Single : A 65 GLN : amide:sc= -0.962 K(o=-0.96,f=-1.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -40:sc= -0.0463 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.433 13.273 -4.583 1.00 0.00 N ATOM 19 CA ALA A 2 8.167 12.595 -4.518 1.00 0.00 C ATOM 20 C ALA A 2 8.302 11.294 -5.275 1.00 0.00 C ATOM 21 O ALA A 2 8.835 11.265 -6.397 1.00 0.00 O ATOM 22 CB ALA A 2 7.057 13.453 -5.099 1.00 0.00 C ATOM 0 HA ALA A 2 7.900 12.398 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.111 12.915 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.983 14.383 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.279 13.677 -6.142 1.00 0.00 H new ATOM 28 N TYR A 3 7.855 10.241 -4.677 1.00 0.00 N ATOM 29 CA TYR A 3 8.033 8.911 -5.225 1.00 0.00 C ATOM 30 C TYR A 3 6.949 8.567 -6.225 1.00 0.00 C ATOM 31 O TYR A 3 5.952 9.287 -6.359 1.00 0.00 O ATOM 32 CB TYR A 3 8.047 7.859 -4.103 1.00 0.00 C ATOM 33 CG TYR A 3 9.206 7.953 -3.116 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.489 9.132 -2.440 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.995 6.846 -2.842 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.513 9.212 -1.534 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.019 6.917 -1.919 1.00 0.00 C ATOM 38 CZ TYR A 3 11.270 8.104 -1.270 1.00 0.00 C ATOM 39 OH TYR A 3 12.265 8.177 -0.332 1.00 0.00 O ATOM 0 H TYR A 3 7.352 10.264 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 3 8.992 8.904 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.113 7.938 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.063 6.869 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.887 10.008 -2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.806 5.916 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.721 10.145 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.620 6.045 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 3 13.010 7.600 -0.600 1.00 0.00 H new ATOM 49 N PHE A 4 7.164 7.485 -6.928 1.00 0.00 N ATOM 50 CA PHE A 4 6.207 6.951 -7.866 1.00 0.00 C ATOM 51 C PHE A 4 5.294 5.995 -7.113 1.00 0.00 C ATOM 52 O PHE A 4 5.648 5.544 -6.031 1.00 0.00 O ATOM 53 CB PHE A 4 6.936 6.198 -8.994 1.00 0.00 C ATOM 54 CG PHE A 4 7.837 7.058 -9.838 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.333 7.748 -10.921 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.189 7.172 -9.548 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.153 8.538 -11.701 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.014 7.960 -10.320 1.00 0.00 C ATOM 59 CZ PHE A 4 9.495 8.644 -11.399 1.00 0.00 C ATOM 0 H PHE A 4 8.024 6.940 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 4 5.627 7.759 -8.312 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.528 5.396 -8.554 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.193 5.729 -9.640 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.283 7.669 -11.162 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.600 6.636 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.745 9.072 -12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.064 8.042 -10.081 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.139 9.262 -12.007 1.00 0.00 H new ATOM 69 N LEU A 5 4.149 5.693 -7.654 1.00 0.00 N ATOM 70 CA LEU A 5 3.226 4.775 -7.004 1.00 0.00 C ATOM 71 C LEU A 5 2.884 3.670 -8.015 1.00 0.00 C ATOM 72 O LEU A 5 2.595 3.965 -9.181 1.00 0.00 O ATOM 73 CB LEU A 5 1.944 5.553 -6.562 1.00 0.00 C ATOM 74 CG LEU A 5 1.042 4.953 -5.430 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.493 3.589 -5.756 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.767 4.917 -4.101 1.00 0.00 C ATOM 0 H LEU A 5 3.821 6.064 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 5 3.669 4.331 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.257 6.547 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.319 5.685 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 5 0.190 5.628 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.121 3.237 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.115 3.648 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.317 2.894 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.111 4.495 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.662 4.301 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.051 5.929 -3.814 1.00 0.00 H new ATOM 88 N ASP A 6 2.946 2.424 -7.600 1.00 0.00 N ATOM 89 CA ASP A 6 2.604 1.305 -8.480 1.00 0.00 C ATOM 90 C ASP A 6 1.826 0.279 -7.678 1.00 0.00 C ATOM 91 O ASP A 6 1.952 0.241 -6.460 1.00 0.00 O ATOM 92 CB ASP A 6 3.875 0.665 -9.050 1.00 0.00 C ATOM 93 CG ASP A 6 3.602 -0.217 -10.250 1.00 0.00 C ATOM 94 OD1 ASP A 6 3.239 0.331 -11.327 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.780 -1.441 -10.172 1.00 0.00 O ATOM 0 H ASP A 6 3.229 2.150 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 6 2.000 1.667 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.575 1.450 -9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.358 0.073 -8.273 1.00 0.00 H new ATOM 100 N PHE A 7 1.025 -0.524 -8.329 1.00 0.00 N ATOM 101 CA PHE A 7 0.220 -1.534 -7.641 1.00 0.00 C ATOM 102 C PHE A 7 0.512 -2.915 -8.193 1.00 0.00 C ATOM 103 O PHE A 7 0.598 -3.096 -9.412 1.00 0.00 O ATOM 104 CB PHE A 7 -1.287 -1.286 -7.824 1.00 0.00 C ATOM 105 CG PHE A 7 -1.858 -0.036 -7.219 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.801 1.169 -7.891 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.494 -0.083 -5.993 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.364 2.303 -7.351 1.00 0.00 C ATOM 109 CE2 PHE A 7 -3.054 1.050 -5.444 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.991 2.245 -6.125 1.00 0.00 C ATOM 0 H PHE A 7 0.903 -0.508 -9.342 1.00 0.00 H new ATOM 0 HA PHE A 7 0.482 -1.468 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.499 -1.270 -8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.822 -2.138 -7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.309 1.222 -8.851 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.553 -1.020 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.314 3.239 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.541 1.001 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.432 3.135 -5.700 1.00 0.00 H new ATOM 120 N ASP A 8 0.670 -3.876 -7.315 1.00 0.00 N ATOM 121 CA ASP A 8 0.800 -5.287 -7.707 1.00 0.00 C ATOM 122 C ASP A 8 -0.531 -5.771 -8.284 1.00 0.00 C ATOM 123 O ASP A 8 -1.572 -5.187 -7.973 1.00 0.00 O ATOM 124 CB ASP A 8 1.198 -6.156 -6.502 1.00 0.00 C ATOM 125 CG ASP A 8 1.255 -7.631 -6.839 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.287 -8.110 -7.369 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.268 -8.335 -6.602 1.00 0.00 O ATOM 0 H ASP A 8 0.714 -3.718 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 8 1.583 -5.375 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.172 -5.834 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.483 -5.999 -5.694 1.00 0.00 H new ATOM 132 N GLU A 9 -0.505 -6.807 -9.126 1.00 0.00 N ATOM 133 CA GLU A 9 -1.720 -7.348 -9.733 1.00 0.00 C ATOM 134 C GLU A 9 -2.779 -7.691 -8.665 1.00 0.00 C ATOM 135 O GLU A 9 -3.957 -7.396 -8.843 1.00 0.00 O ATOM 136 CB GLU A 9 -1.426 -8.610 -10.568 1.00 0.00 C ATOM 137 CG GLU A 9 -0.820 -9.756 -9.766 1.00 0.00 C ATOM 138 CD GLU A 9 -0.933 -11.073 -10.460 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.008 -11.703 -10.386 1.00 0.00 O ATOM 140 OE2 GLU A 9 0.038 -11.529 -11.081 1.00 0.00 O ATOM 0 H GLU A 9 0.350 -7.289 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.109 -6.570 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.353 -8.953 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.746 -8.347 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.231 -9.542 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.316 -9.817 -8.797 1.00 0.00 H new ATOM 147 N ARG A 10 -2.348 -8.266 -7.538 1.00 0.00 N ATOM 148 CA ARG A 10 -3.265 -8.633 -6.477 1.00 0.00 C ATOM 149 C ARG A 10 -3.807 -7.406 -5.811 1.00 0.00 C ATOM 150 O ARG A 10 -4.990 -7.335 -5.512 1.00 0.00 O ATOM 151 CB ARG A 10 -2.614 -9.580 -5.466 1.00 0.00 C ATOM 152 CG ARG A 10 -2.465 -11.014 -5.969 1.00 0.00 C ATOM 153 CD ARG A 10 -3.818 -11.686 -6.105 1.00 0.00 C ATOM 154 NE ARG A 10 -4.515 -11.766 -4.814 1.00 0.00 N ATOM 155 CZ ARG A 10 -5.817 -12.039 -4.648 1.00 0.00 C ATOM 156 NH1 ARG A 10 -6.581 -12.317 -5.697 1.00 0.00 N ATOM 157 NH2 ARG A 10 -6.334 -12.061 -3.429 1.00 0.00 N ATOM 0 H ARG A 10 -1.370 -8.483 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.098 -9.176 -6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.629 -9.194 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.209 -9.586 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.957 -11.014 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.841 -11.582 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.430 -11.131 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.687 -12.689 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.962 -11.600 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.178 -12.324 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.571 -12.524 -5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.742 -11.871 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.324 -12.268 -3.299 1.00 0.00 H new ATOM 171 N ALA A 11 -2.957 -6.414 -5.655 1.00 0.00 N ATOM 172 CA ALA A 11 -3.351 -5.155 -5.070 1.00 0.00 C ATOM 173 C ALA A 11 -4.397 -4.480 -5.947 1.00 0.00 C ATOM 174 O ALA A 11 -5.355 -3.934 -5.448 1.00 0.00 O ATOM 175 CB ALA A 11 -2.151 -4.249 -4.874 1.00 0.00 C ATOM 0 H ALA A 11 -1.976 -6.459 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.786 -5.349 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.475 -3.307 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.434 -4.733 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.681 -4.055 -5.838 1.00 0.00 H new ATOM 181 N LEU A 12 -4.224 -4.579 -7.263 1.00 0.00 N ATOM 182 CA LEU A 12 -5.165 -4.011 -8.215 1.00 0.00 C ATOM 183 C LEU A 12 -6.496 -4.718 -8.153 1.00 0.00 C ATOM 184 O LEU A 12 -7.540 -4.082 -8.166 1.00 0.00 O ATOM 185 CB LEU A 12 -4.612 -4.061 -9.637 1.00 0.00 C ATOM 186 CG LEU A 12 -3.558 -3.019 -9.998 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.993 -3.304 -11.381 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.169 -1.616 -9.962 1.00 0.00 C ATOM 0 H LEU A 12 -3.431 -5.053 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.314 -2.967 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.184 -5.050 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.446 -3.956 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.750 -3.071 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.242 -2.554 -11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.535 -4.293 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.797 -3.269 -12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.407 -0.881 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.989 -1.558 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.547 -1.409 -8.961 1.00 0.00 H new ATOM 200 N LYS A 13 -6.452 -6.025 -8.066 1.00 0.00 N ATOM 201 CA LYS A 13 -7.651 -6.839 -7.997 1.00 0.00 C ATOM 202 C LYS A 13 -8.470 -6.499 -6.761 1.00 0.00 C ATOM 203 O LYS A 13 -9.705 -6.359 -6.832 1.00 0.00 O ATOM 204 CB LYS A 13 -7.267 -8.314 -8.014 1.00 0.00 C ATOM 205 CG LYS A 13 -6.670 -8.737 -9.337 1.00 0.00 C ATOM 206 CD LYS A 13 -5.956 -10.065 -9.250 1.00 0.00 C ATOM 207 CE LYS A 13 -5.479 -10.487 -10.635 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.717 -11.755 -10.643 1.00 0.00 N ATOM 0 H LYS A 13 -5.584 -6.560 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.274 -6.628 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.551 -8.510 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.149 -8.919 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.460 -8.801 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.970 -7.973 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.107 -9.988 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.625 -10.822 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.343 -10.589 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.855 -9.696 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.760 -12.180 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.725 -11.566 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.129 -12.412 -9.950 1.00 0.00 H new ATOM 222 N GLU A 14 -7.792 -6.354 -5.649 1.00 0.00 N ATOM 223 CA GLU A 14 -8.419 -5.979 -4.403 1.00 0.00 C ATOM 224 C GLU A 14 -8.896 -4.509 -4.450 1.00 0.00 C ATOM 225 O GLU A 14 -9.977 -4.189 -3.992 1.00 0.00 O ATOM 226 CB GLU A 14 -7.449 -6.232 -3.252 1.00 0.00 C ATOM 227 CG GLU A 14 -6.998 -7.694 -3.156 1.00 0.00 C ATOM 228 CD GLU A 14 -8.123 -8.649 -2.829 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.778 -9.146 -3.751 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.370 -8.909 -1.641 1.00 0.00 O ATOM 0 H GLU A 14 -6.784 -6.493 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.306 -6.591 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.573 -5.595 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.923 -5.942 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.544 -7.989 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.226 -7.779 -2.392 1.00 0.00 H new ATOM 237 N TRP A 15 -8.091 -3.649 -5.053 1.00 0.00 N ATOM 238 CA TRP A 15 -8.386 -2.212 -5.213 1.00 0.00 C ATOM 239 C TRP A 15 -9.667 -2.001 -6.039 1.00 0.00 C ATOM 240 O TRP A 15 -10.511 -1.152 -5.716 1.00 0.00 O ATOM 241 CB TRP A 15 -7.180 -1.537 -5.902 1.00 0.00 C ATOM 242 CG TRP A 15 -7.288 -0.063 -6.139 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.738 0.552 -7.270 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.902 0.978 -5.240 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.671 1.913 -7.119 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.160 2.202 -5.883 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.371 0.995 -3.948 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.903 3.426 -5.283 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.114 2.211 -3.355 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.380 3.410 -4.020 1.00 0.00 C ATOM 0 H TRP A 15 -7.195 -3.923 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.552 -1.764 -4.233 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.293 -1.721 -5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.017 -2.026 -6.862 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.094 0.043 -8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.956 2.600 -7.817 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.166 0.073 -3.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.108 4.355 -5.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.699 2.238 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.168 4.346 -3.525 1.00 0.00 H new ATOM 261 N ARG A 16 -9.806 -2.778 -7.097 1.00 0.00 N ATOM 262 CA ARG A 16 -10.980 -2.704 -7.960 1.00 0.00 C ATOM 263 C ARG A 16 -12.190 -3.318 -7.253 1.00 0.00 C ATOM 264 O ARG A 16 -13.336 -2.957 -7.527 1.00 0.00 O ATOM 265 CB ARG A 16 -10.710 -3.394 -9.304 1.00 0.00 C ATOM 266 CG ARG A 16 -9.536 -2.790 -10.071 1.00 0.00 C ATOM 267 CD ARG A 16 -9.233 -3.548 -11.354 1.00 0.00 C ATOM 268 NE ARG A 16 -10.284 -3.385 -12.364 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.338 -4.039 -13.528 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.486 -5.023 -13.789 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.272 -3.727 -14.420 1.00 0.00 N ATOM 0 H ARG A 16 -9.118 -3.474 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.200 -1.657 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.514 -4.452 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.607 -3.335 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.758 -1.750 -10.310 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.651 -2.789 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.284 -3.200 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.113 -4.607 -11.127 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.032 -2.721 -12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.783 -5.285 -13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.535 -5.517 -14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.946 -2.989 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.315 -4.225 -15.309 1.00 0.00 H new ATOM 285 N LYS A 17 -11.918 -4.241 -6.342 1.00 0.00 N ATOM 286 CA LYS A 17 -12.944 -4.864 -5.514 1.00 0.00 C ATOM 287 C LYS A 17 -13.454 -3.849 -4.479 1.00 0.00 C ATOM 288 O LYS A 17 -14.640 -3.832 -4.139 1.00 0.00 O ATOM 289 CB LYS A 17 -12.351 -6.082 -4.796 1.00 0.00 C ATOM 290 CG LYS A 17 -13.313 -6.831 -3.892 1.00 0.00 C ATOM 291 CD LYS A 17 -12.568 -7.864 -3.069 1.00 0.00 C ATOM 292 CE LYS A 17 -13.492 -8.625 -2.137 1.00 0.00 C ATOM 293 NZ LYS A 17 -14.429 -9.511 -2.859 1.00 0.00 N ATOM 0 H LYS A 17 -10.975 -4.581 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.775 -5.185 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.968 -6.775 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.499 -5.754 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.823 -6.129 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.081 -7.319 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.068 -8.566 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.791 -7.370 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.895 -9.221 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.060 -7.915 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.989 -10.056 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.066 -8.937 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.892 -10.164 -3.465 1.00 0.00 H new ATOM 307 N LEU A 18 -12.546 -3.011 -3.993 1.00 0.00 N ATOM 308 CA LEU A 18 -12.856 -1.980 -3.014 1.00 0.00 C ATOM 309 C LEU A 18 -13.868 -0.986 -3.523 1.00 0.00 C ATOM 310 O LEU A 18 -13.986 -0.742 -4.737 1.00 0.00 O ATOM 311 CB LEU A 18 -11.595 -1.233 -2.574 1.00 0.00 C ATOM 312 CG LEU A 18 -11.023 -1.578 -1.201 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.671 -3.049 -1.083 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.816 -0.721 -0.930 1.00 0.00 C ATOM 0 H LEU A 18 -11.565 -3.030 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.288 -2.499 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.819 -1.413 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.812 -0.165 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.791 -1.375 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.268 -3.248 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.566 -3.651 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.926 -3.306 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.408 -0.967 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.061 -0.904 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.104 0.330 -0.949 1.00 0.00 H new ATOM 326 N GLY A 19 -14.584 -0.415 -2.597 1.00 0.00 N ATOM 327 CA GLY A 19 -15.575 0.563 -2.915 1.00 0.00 C ATOM 328 C GLY A 19 -14.934 1.867 -3.295 1.00 0.00 C ATOM 329 O GLY A 19 -13.801 2.152 -2.864 1.00 0.00 O ATOM 0 H GLY A 19 -14.494 -0.617 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.196 0.205 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.233 0.712 -2.059 1.00 0.00 H new ATOM 333 N SER A 20 -15.651 2.656 -4.055 1.00 0.00 N ATOM 334 CA SER A 20 -15.175 3.907 -4.604 1.00 0.00 C ATOM 335 C SER A 20 -14.662 4.869 -3.530 1.00 0.00 C ATOM 336 O SER A 20 -13.519 5.292 -3.577 1.00 0.00 O ATOM 337 CB SER A 20 -16.311 4.512 -5.406 1.00 0.00 C ATOM 338 OG SER A 20 -17.543 4.300 -4.721 1.00 0.00 O ATOM 0 H SER A 20 -16.613 2.441 -4.319 1.00 0.00 H new ATOM 0 HA SER A 20 -14.314 3.718 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.141 5.579 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.351 4.060 -6.397 1.00 0.00 H new ATOM 0 HG SER A 20 -18.021 3.550 -5.133 1.00 0.00 H new ATOM 344 N THR A 21 -15.487 5.133 -2.556 1.00 0.00 N ATOM 345 CA THR A 21 -15.198 6.051 -1.465 1.00 0.00 C ATOM 346 C THR A 21 -13.928 5.625 -0.712 1.00 0.00 C ATOM 347 O THR A 21 -13.054 6.449 -0.415 1.00 0.00 O ATOM 348 CB THR A 21 -16.394 6.062 -0.490 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.612 6.240 -1.241 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.266 7.185 0.532 1.00 0.00 C ATOM 0 H THR A 21 -16.411 4.707 -2.488 1.00 0.00 H new ATOM 0 HA THR A 21 -15.035 7.047 -1.876 1.00 0.00 H new ATOM 0 HB THR A 21 -16.410 5.113 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.376 6.246 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.124 7.165 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.351 7.050 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.231 8.144 0.016 1.00 0.00 H new ATOM 358 N VAL A 22 -13.806 4.331 -0.482 1.00 0.00 N ATOM 359 CA VAL A 22 -12.692 3.791 0.265 1.00 0.00 C ATOM 360 C VAL A 22 -11.412 3.942 -0.532 1.00 0.00 C ATOM 361 O VAL A 22 -10.411 4.453 -0.027 1.00 0.00 O ATOM 362 CB VAL A 22 -12.913 2.285 0.580 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.729 1.699 1.323 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.187 2.078 1.376 1.00 0.00 C ATOM 0 H VAL A 22 -14.473 3.631 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.616 4.344 1.201 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.010 1.763 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.914 0.645 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.831 1.797 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.589 2.233 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.318 1.016 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.122 2.626 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.038 2.443 0.802 1.00 0.00 H new ATOM 374 N ARG A 23 -11.460 3.554 -1.784 1.00 0.00 N ATOM 375 CA ARG A 23 -10.295 3.632 -2.613 1.00 0.00 C ATOM 376 C ARG A 23 -9.890 5.068 -2.925 1.00 0.00 C ATOM 377 O ARG A 23 -8.706 5.359 -3.023 1.00 0.00 O ATOM 378 CB ARG A 23 -10.377 2.776 -3.863 1.00 0.00 C ATOM 379 CG ARG A 23 -11.546 3.055 -4.770 1.00 0.00 C ATOM 380 CD ARG A 23 -11.257 2.468 -6.128 1.00 0.00 C ATOM 381 NE ARG A 23 -12.362 2.616 -7.080 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.005 1.586 -7.669 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.790 0.328 -7.264 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.882 1.818 -8.641 1.00 0.00 N ATOM 0 H ARG A 23 -12.292 3.184 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.493 3.201 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.458 2.910 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.416 1.729 -3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.456 2.621 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.713 4.129 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.368 2.946 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.026 1.409 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.665 3.562 -7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.136 0.142 -6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.281 -0.444 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.069 2.775 -8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.368 1.039 -9.086 1.00 0.00 H new ATOM 398 N GLU A 24 -10.867 5.960 -3.087 1.00 0.00 N ATOM 399 CA GLU A 24 -10.568 7.362 -3.340 1.00 0.00 C ATOM 400 C GLU A 24 -9.762 7.965 -2.215 1.00 0.00 C ATOM 401 O GLU A 24 -8.751 8.631 -2.462 1.00 0.00 O ATOM 402 CB GLU A 24 -11.818 8.198 -3.591 1.00 0.00 C ATOM 403 CG GLU A 24 -12.508 7.905 -4.904 1.00 0.00 C ATOM 404 CD GLU A 24 -13.527 8.952 -5.260 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.629 8.985 -4.656 1.00 0.00 O ATOM 406 OE2 GLU A 24 -13.246 9.774 -6.160 1.00 0.00 O ATOM 0 H GLU A 24 -11.861 5.736 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.973 7.381 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.523 8.029 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.547 9.253 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.763 7.842 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.995 6.932 -4.846 1.00 0.00 H new ATOM 413 N GLN A 25 -10.162 7.699 -0.983 1.00 0.00 N ATOM 414 CA GLN A 25 -9.448 8.233 0.145 1.00 0.00 C ATOM 415 C GLN A 25 -8.088 7.566 0.319 1.00 0.00 C ATOM 416 O GLN A 25 -7.113 8.217 0.712 1.00 0.00 O ATOM 417 CB GLN A 25 -10.282 8.239 1.426 1.00 0.00 C ATOM 418 CG GLN A 25 -11.191 9.469 1.603 1.00 0.00 C ATOM 419 CD GLN A 25 -12.181 9.701 0.475 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.884 10.393 -0.507 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.364 9.185 0.619 1.00 0.00 N ATOM 0 H GLN A 25 -10.970 7.122 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.252 9.283 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.902 7.342 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.609 8.177 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.744 9.362 2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.564 10.355 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.577 8.619 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.080 9.346 -0.089 1.00 0.00 H new ATOM 430 N LEU A 26 -8.015 6.276 0.006 1.00 0.00 N ATOM 431 CA LEU A 26 -6.740 5.559 0.025 1.00 0.00 C ATOM 432 C LEU A 26 -5.783 6.150 -1.003 1.00 0.00 C ATOM 433 O LEU A 26 -4.608 6.359 -0.711 1.00 0.00 O ATOM 434 CB LEU A 26 -6.923 4.068 -0.244 1.00 0.00 C ATOM 435 CG LEU A 26 -7.656 3.256 0.833 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.786 1.820 0.399 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.918 3.331 2.162 1.00 0.00 C ATOM 0 H LEU A 26 -8.817 5.707 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.320 5.674 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.466 3.956 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.938 3.626 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.650 3.682 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.307 1.253 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.351 1.771 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.794 1.395 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.456 2.748 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.912 2.929 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.857 4.370 2.486 1.00 0.00 H new ATOM 449 N LYS A 27 -6.297 6.425 -2.205 1.00 0.00 N ATOM 450 CA LYS A 27 -5.513 7.048 -3.268 1.00 0.00 C ATOM 451 C LYS A 27 -4.923 8.379 -2.790 1.00 0.00 C ATOM 452 O LYS A 27 -3.754 8.697 -3.069 1.00 0.00 O ATOM 453 CB LYS A 27 -6.382 7.307 -4.495 1.00 0.00 C ATOM 454 CG LYS A 27 -5.601 7.896 -5.659 1.00 0.00 C ATOM 455 CD LYS A 27 -6.497 8.412 -6.775 1.00 0.00 C ATOM 456 CE LYS A 27 -7.206 9.694 -6.365 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.026 10.251 -7.457 1.00 0.00 N ATOM 0 H LYS A 27 -7.262 6.223 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.706 6.364 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.845 6.372 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.190 7.987 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.977 8.712 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.930 7.137 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.900 8.594 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.235 7.652 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.841 9.496 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.467 10.433 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.490 11.123 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.418 10.465 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.749 9.558 -7.737 1.00 0.00 H new ATOM 471 N LYS A 28 -5.742 9.146 -2.087 1.00 0.00 N ATOM 472 CA LYS A 28 -5.325 10.419 -1.507 1.00 0.00 C ATOM 473 C LYS A 28 -4.183 10.213 -0.526 1.00 0.00 C ATOM 474 O LYS A 28 -3.189 10.934 -0.567 1.00 0.00 O ATOM 475 CB LYS A 28 -6.491 11.116 -0.821 1.00 0.00 C ATOM 476 CG LYS A 28 -7.603 11.497 -1.761 1.00 0.00 C ATOM 477 CD LYS A 28 -8.782 12.085 -1.020 1.00 0.00 C ATOM 478 CE LYS A 28 -9.879 12.425 -1.992 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.090 12.927 -1.334 1.00 0.00 N ATOM 0 H LYS A 28 -6.716 8.906 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.976 11.057 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.890 10.461 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.125 12.013 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.233 12.219 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.925 10.618 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.148 11.374 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.473 12.979 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.516 13.175 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.129 11.538 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.699 13.393 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.605 12.133 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.826 13.611 -0.596 1.00 0.00 H new ATOM 493 N LYS A 29 -4.319 9.209 0.332 1.00 0.00 N ATOM 494 CA LYS A 29 -3.264 8.857 1.274 1.00 0.00 C ATOM 495 C LYS A 29 -1.988 8.480 0.571 1.00 0.00 C ATOM 496 O LYS A 29 -0.906 8.847 1.004 1.00 0.00 O ATOM 497 CB LYS A 29 -3.695 7.764 2.250 1.00 0.00 C ATOM 498 CG LYS A 29 -4.127 8.302 3.604 1.00 0.00 C ATOM 499 CD LYS A 29 -5.330 9.209 3.515 1.00 0.00 C ATOM 500 CE LYS A 29 -5.565 9.913 4.836 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.458 10.851 5.164 1.00 0.00 N ATOM 0 H LYS A 29 -5.152 8.623 0.395 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.068 9.754 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.518 7.200 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.869 7.066 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.355 7.467 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.298 8.848 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.179 9.946 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.211 8.628 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.506 10.461 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.662 9.173 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.772 11.514 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.638 10.313 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.190 11.383 4.312 1.00 0.00 H new ATOM 515 N LEU A 30 -2.121 7.787 -0.524 1.00 0.00 N ATOM 516 CA LEU A 30 -0.985 7.388 -1.312 1.00 0.00 C ATOM 517 C LEU A 30 -0.286 8.592 -1.922 1.00 0.00 C ATOM 518 O LEU A 30 0.928 8.708 -1.848 1.00 0.00 O ATOM 519 CB LEU A 30 -1.403 6.417 -2.404 1.00 0.00 C ATOM 520 CG LEU A 30 -2.010 5.110 -1.933 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.402 4.257 -3.119 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.043 4.370 -1.025 1.00 0.00 C ATOM 0 H LEU A 30 -3.020 7.482 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.282 6.887 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.123 6.917 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.529 6.190 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.910 5.329 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.836 3.322 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.134 4.791 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.519 4.043 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.496 3.434 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.123 4.157 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.815 4.987 -0.156 1.00 0.00 H new ATOM 534 N VAL A 31 -1.052 9.502 -2.501 1.00 0.00 N ATOM 535 CA VAL A 31 -0.451 10.647 -3.156 1.00 0.00 C ATOM 536 C VAL A 31 0.194 11.612 -2.141 1.00 0.00 C ATOM 537 O VAL A 31 1.272 12.161 -2.400 1.00 0.00 O ATOM 538 CB VAL A 31 -1.416 11.380 -4.146 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.562 12.087 -3.442 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.649 12.328 -5.044 1.00 0.00 C ATOM 0 H VAL A 31 -2.071 9.471 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 31 0.350 10.249 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.872 10.610 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.196 12.577 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.151 11.359 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.162 12.833 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.341 12.826 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.139 13.074 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.086 11.767 -5.622 1.00 0.00 H new ATOM 550 N GLU A 32 -0.441 11.793 -0.977 1.00 0.00 N ATOM 551 CA GLU A 32 0.132 12.647 0.046 1.00 0.00 C ATOM 552 C GLU A 32 1.400 12.015 0.632 1.00 0.00 C ATOM 553 O GLU A 32 2.427 12.696 0.804 1.00 0.00 O ATOM 554 CB GLU A 32 -0.870 12.997 1.171 1.00 0.00 C ATOM 555 CG GLU A 32 -1.431 11.798 1.900 1.00 0.00 C ATOM 556 CD GLU A 32 -2.175 12.139 3.158 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.540 12.180 4.229 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.409 12.345 3.116 1.00 0.00 O ATOM 0 H GLU A 32 -1.334 11.365 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 32 0.393 13.585 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.375 13.647 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.695 13.566 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.100 11.259 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.613 11.121 2.146 1.00 0.00 H new ATOM 565 N VAL A 33 1.340 10.710 0.882 1.00 0.00 N ATOM 566 CA VAL A 33 2.424 9.975 1.499 1.00 0.00 C ATOM 567 C VAL A 33 3.680 9.992 0.627 1.00 0.00 C ATOM 568 O VAL A 33 4.769 9.966 1.135 1.00 0.00 O ATOM 569 CB VAL A 33 2.040 8.529 1.949 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.119 7.500 0.828 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.842 8.112 3.166 1.00 0.00 C ATOM 0 H VAL A 33 0.528 10.134 0.658 1.00 0.00 H new ATOM 0 HA VAL A 33 2.650 10.506 2.424 1.00 0.00 H new ATOM 0 HB VAL A 33 0.987 8.561 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.839 6.520 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.437 7.783 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.137 7.460 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.557 7.102 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.905 8.134 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.641 8.800 3.987 1.00 0.00 H new ATOM 581 N LEU A 34 3.494 10.082 -0.696 1.00 0.00 N ATOM 582 CA LEU A 34 4.594 10.070 -1.682 1.00 0.00 C ATOM 583 C LEU A 34 5.683 11.106 -1.395 1.00 0.00 C ATOM 584 O LEU A 34 6.818 10.928 -1.845 1.00 0.00 O ATOM 585 CB LEU A 34 4.073 10.289 -3.115 1.00 0.00 C ATOM 586 CG LEU A 34 3.236 9.168 -3.729 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.738 9.569 -5.109 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.050 7.890 -3.816 1.00 0.00 C ATOM 0 H LEU A 34 2.570 10.166 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 34 5.039 9.079 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.475 11.201 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.931 10.465 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 34 2.373 8.991 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.144 8.759 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.123 10.465 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.590 9.771 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.441 7.100 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.928 8.060 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.366 7.591 -2.817 1.00 0.00 H new ATOM 600 N GLU A 35 5.347 12.194 -0.685 1.00 0.00 N ATOM 601 CA GLU A 35 6.354 13.206 -0.353 1.00 0.00 C ATOM 602 C GLU A 35 7.421 12.622 0.608 1.00 0.00 C ATOM 603 O GLU A 35 8.585 13.013 0.576 1.00 0.00 O ATOM 604 CB GLU A 35 5.723 14.458 0.278 1.00 0.00 C ATOM 605 CG GLU A 35 5.110 14.233 1.653 1.00 0.00 C ATOM 606 CD GLU A 35 4.654 15.507 2.309 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.495 16.300 2.737 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.435 15.724 2.451 1.00 0.00 O ATOM 0 H GLU A 35 4.408 12.391 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 35 6.830 13.500 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.485 15.233 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.951 14.837 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.262 13.555 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.841 13.742 2.295 1.00 0.00 H new ATOM 615 N SER A 36 7.007 11.677 1.429 1.00 0.00 N ATOM 616 CA SER A 36 7.858 11.040 2.396 1.00 0.00 C ATOM 617 C SER A 36 7.211 9.734 2.834 1.00 0.00 C ATOM 618 O SER A 36 6.608 9.667 3.869 1.00 0.00 O ATOM 619 CB SER A 36 8.115 11.981 3.599 1.00 0.00 C ATOM 620 OG SER A 36 8.913 11.357 4.596 1.00 0.00 O ATOM 0 H SER A 36 6.048 11.328 1.437 1.00 0.00 H new ATOM 0 HA SER A 36 8.828 10.820 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.610 12.888 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.162 12.284 4.033 1.00 0.00 H new ATOM 0 HG SER A 36 9.056 11.981 5.338 1.00 0.00 H new ATOM 626 N PRO A 37 7.265 8.691 1.993 1.00 0.00 N ATOM 627 CA PRO A 37 6.606 7.430 2.287 1.00 0.00 C ATOM 628 C PRO A 37 7.410 6.490 3.184 1.00 0.00 C ATOM 629 O PRO A 37 6.877 5.502 3.677 1.00 0.00 O ATOM 630 CB PRO A 37 6.380 6.837 0.908 1.00 0.00 C ATOM 631 CG PRO A 37 7.523 7.339 0.100 1.00 0.00 C ATOM 632 CD PRO A 37 7.882 8.687 0.657 1.00 0.00 C ATOM 0 HA PRO A 37 5.693 7.582 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.364 5.748 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.426 7.157 0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.370 6.656 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.250 7.415 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.962 8.821 0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.494 9.493 0.035 1.00 0.00 H new ATOM 640 N ARG A 38 8.671 6.814 3.435 1.00 0.00 N ATOM 641 CA ARG A 38 9.524 5.980 4.293 1.00 0.00 C ATOM 642 C ARG A 38 9.260 6.238 5.791 1.00 0.00 C ATOM 643 O ARG A 38 10.161 6.205 6.610 1.00 0.00 O ATOM 644 CB ARG A 38 11.033 6.117 3.896 1.00 0.00 C ATOM 645 CG ARG A 38 11.609 7.546 3.755 1.00 0.00 C ATOM 646 CD ARG A 38 11.828 8.274 5.088 1.00 0.00 C ATOM 647 NE ARG A 38 12.821 7.608 5.967 1.00 0.00 N ATOM 648 CZ ARG A 38 12.813 7.680 7.319 1.00 0.00 C ATOM 649 NH1 ARG A 38 11.891 8.391 7.942 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.730 7.053 8.030 1.00 0.00 N ATOM 0 H ARG A 38 9.131 7.644 3.062 1.00 0.00 H new ATOM 0 HA ARG A 38 9.255 4.937 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.626 5.588 4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.179 5.601 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.559 7.491 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.933 8.138 3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.158 9.293 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.877 8.345 5.615 1.00 0.00 H new ATOM 0 HE ARG A 38 13.558 7.060 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.181 8.889 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.889 8.443 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.454 6.508 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.715 7.113 9.048 1.00 0.00 H new ATOM 664 N ILE A 39 7.998 6.338 6.141 1.00 0.00 N ATOM 665 CA ILE A 39 7.589 6.695 7.483 1.00 0.00 C ATOM 666 C ILE A 39 7.643 5.485 8.383 1.00 0.00 C ATOM 667 O ILE A 39 6.767 4.628 8.366 1.00 0.00 O ATOM 668 CB ILE A 39 6.168 7.311 7.492 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.169 8.558 6.623 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.727 7.651 8.918 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.814 9.181 6.401 1.00 0.00 C ATOM 0 H ILE A 39 7.221 6.173 5.501 1.00 0.00 H new ATOM 0 HA ILE A 39 8.282 7.448 7.859 1.00 0.00 H new ATOM 0 HB ILE A 39 5.459 6.585 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.823 9.301 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.600 8.307 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.726 8.082 8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.718 6.744 9.522 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.422 8.370 9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.918 10.064 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.158 8.461 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.385 9.470 7.360 1.00 0.00 H new ATOM 683 N GLU A 40 8.699 5.442 9.151 1.00 0.00 N ATOM 684 CA GLU A 40 9.024 4.348 10.042 1.00 0.00 C ATOM 685 C GLU A 40 7.960 4.089 11.107 1.00 0.00 C ATOM 686 O GLU A 40 7.809 2.965 11.569 1.00 0.00 O ATOM 687 CB GLU A 40 10.426 4.546 10.619 1.00 0.00 C ATOM 688 CG GLU A 40 10.681 5.926 11.200 1.00 0.00 C ATOM 689 CD GLU A 40 12.134 6.151 11.494 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.898 6.455 10.551 1.00 0.00 O ATOM 691 OE2 GLU A 40 12.544 6.034 12.656 1.00 0.00 O ATOM 0 H GLU A 40 9.386 6.195 9.178 1.00 0.00 H new ATOM 0 HA GLU A 40 9.029 3.431 9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.593 3.802 11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.158 4.356 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.331 6.685 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.103 6.046 12.116 1.00 0.00 H new ATOM 698 N ALA A 41 7.183 5.109 11.447 1.00 0.00 N ATOM 699 CA ALA A 41 6.071 4.951 12.384 1.00 0.00 C ATOM 700 C ALA A 41 4.950 4.102 11.763 1.00 0.00 C ATOM 701 O ALA A 41 4.059 3.612 12.466 1.00 0.00 O ATOM 702 CB ALA A 41 5.528 6.308 12.807 1.00 0.00 C ATOM 0 H ALA A 41 7.300 6.057 11.089 1.00 0.00 H new ATOM 0 HA ALA A 41 6.447 4.435 13.268 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.702 6.168 13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.318 6.881 13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.175 6.848 11.929 1.00 0.00 H new ATOM 708 N ASN A 42 5.008 3.931 10.451 1.00 0.00 N ATOM 709 CA ASN A 42 4.018 3.158 9.714 1.00 0.00 C ATOM 710 C ASN A 42 4.650 1.913 9.129 1.00 0.00 C ATOM 711 O ASN A 42 4.034 1.231 8.324 1.00 0.00 O ATOM 712 CB ASN A 42 3.411 3.978 8.547 1.00 0.00 C ATOM 713 CG ASN A 42 2.625 5.202 8.972 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.051 5.250 10.058 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.556 6.185 8.108 1.00 0.00 N ATOM 0 H ASN A 42 5.744 4.325 9.865 1.00 0.00 H new ATOM 0 HA ASN A 42 3.231 2.893 10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.218 4.293 7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.757 3.328 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.014 7.021 8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.044 6.114 7.215 1.00 0.00 H new ATOM 722 N LYS A 43 5.863 1.604 9.541 1.00 0.00 N ATOM 723 CA LYS A 43 6.593 0.509 9.004 1.00 0.00 C ATOM 724 C LYS A 43 6.161 -0.823 9.621 1.00 0.00 C ATOM 725 O LYS A 43 5.807 -0.891 10.799 1.00 0.00 O ATOM 726 CB LYS A 43 8.076 0.765 9.236 1.00 0.00 C ATOM 727 CG LYS A 43 8.936 -0.381 8.877 1.00 0.00 C ATOM 728 CD LYS A 43 10.400 -0.107 9.126 1.00 0.00 C ATOM 729 CE LYS A 43 11.233 -1.347 8.850 1.00 0.00 C ATOM 730 NZ LYS A 43 10.865 -2.474 9.744 1.00 0.00 N ATOM 0 H LYS A 43 6.361 2.121 10.266 1.00 0.00 H new ATOM 0 HA LYS A 43 6.389 0.431 7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.382 1.635 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.234 1.012 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.630 -1.255 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.789 -0.625 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.735 0.712 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.545 0.212 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.100 -1.650 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.289 -1.111 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.598 -3.210 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.787 -2.130 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.953 -2.872 9.443 1.00 0.00 H new ATOM 744 N LEU A 44 6.174 -1.854 8.809 1.00 0.00 N ATOM 745 CA LEU A 44 5.882 -3.199 9.248 1.00 0.00 C ATOM 746 C LEU A 44 7.152 -3.851 9.761 1.00 0.00 C ATOM 747 O LEU A 44 8.262 -3.528 9.299 1.00 0.00 O ATOM 748 CB LEU A 44 5.313 -4.050 8.107 1.00 0.00 C ATOM 749 CG LEU A 44 3.943 -3.667 7.556 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.556 -4.602 6.435 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.901 -3.738 8.638 1.00 0.00 C ATOM 0 H LEU A 44 6.390 -1.782 7.815 1.00 0.00 H new ATOM 0 HA LEU A 44 5.136 -3.139 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.025 -4.026 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.260 -5.082 8.452 1.00 0.00 H new ATOM 0 HG LEU A 44 4.000 -2.646 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.577 -4.321 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.294 -4.537 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.517 -5.624 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.930 -3.462 8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.853 -4.754 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.164 -3.050 9.442 1.00 0.00 H new ATOM 763 N ARG A 45 7.001 -4.753 10.686 1.00 0.00 N ATOM 764 CA ARG A 45 8.106 -5.446 11.264 1.00 0.00 C ATOM 765 C ARG A 45 8.329 -6.779 10.551 1.00 0.00 C ATOM 766 O ARG A 45 7.388 -7.544 10.344 1.00 0.00 O ATOM 767 CB ARG A 45 7.850 -5.641 12.758 1.00 0.00 C ATOM 768 CG ARG A 45 6.641 -6.503 13.101 1.00 0.00 C ATOM 769 CD ARG A 45 6.315 -6.428 14.575 1.00 0.00 C ATOM 770 NE ARG A 45 5.890 -5.075 14.964 1.00 0.00 N ATOM 771 CZ ARG A 45 5.687 -4.659 16.213 1.00 0.00 C ATOM 772 NH1 ARG A 45 5.895 -5.481 17.238 1.00 0.00 N ATOM 773 NH2 ARG A 45 5.277 -3.414 16.435 1.00 0.00 N ATOM 0 H ARG A 45 6.094 -5.029 11.062 1.00 0.00 H new ATOM 0 HA ARG A 45 9.016 -4.858 11.143 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.736 -6.090 13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.721 -4.662 13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.780 -6.174 12.519 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.838 -7.538 12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.525 -7.141 14.811 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.190 -6.718 15.158 1.00 0.00 H new ATOM 0 HE ARG A 45 5.738 -4.399 14.215 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.212 -6.436 17.070 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.738 -5.156 18.192 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.119 -2.782 15.650 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.120 -3.091 17.390 1.00 0.00 H new ATOM 787 N GLY A 46 9.547 -7.013 10.113 1.00 0.00 N ATOM 788 CA GLY A 46 9.886 -8.273 9.456 1.00 0.00 C ATOM 789 C GLY A 46 9.426 -8.313 8.017 1.00 0.00 C ATOM 790 O GLY A 46 9.414 -9.368 7.376 1.00 0.00 O ATOM 0 H GLY A 46 10.322 -6.355 10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.965 -8.421 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.432 -9.099 10.003 1.00 0.00 H new ATOM 794 N MET A 47 9.048 -7.171 7.515 1.00 0.00 N ATOM 795 CA MET A 47 8.576 -7.038 6.164 1.00 0.00 C ATOM 796 C MET A 47 9.461 -6.044 5.463 1.00 0.00 C ATOM 797 O MET A 47 9.559 -4.888 5.905 1.00 0.00 O ATOM 798 CB MET A 47 7.131 -6.561 6.145 1.00 0.00 C ATOM 799 CG MET A 47 6.150 -7.517 6.821 1.00 0.00 C ATOM 800 SD MET A 47 5.965 -9.094 5.952 1.00 0.00 S ATOM 801 CE MET A 47 5.107 -8.557 4.469 1.00 0.00 C ATOM 0 H MET A 47 9.059 -6.295 8.038 1.00 0.00 H new ATOM 0 HA MET A 47 8.612 -8.003 5.659 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.074 -5.590 6.637 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.822 -6.412 5.110 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.486 -7.710 7.840 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.175 -7.034 6.893 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.685 -9.423 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.305 -7.870 4.741 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.809 -8.051 3.806 1.00 0.00 H new ATOM 811 N PRO A 48 10.129 -6.466 4.385 1.00 0.00 N ATOM 812 CA PRO A 48 11.106 -5.638 3.671 1.00 0.00 C ATOM 813 C PRO A 48 10.512 -4.345 3.096 1.00 0.00 C ATOM 814 O PRO A 48 9.775 -4.371 2.092 1.00 0.00 O ATOM 815 CB PRO A 48 11.623 -6.553 2.549 1.00 0.00 C ATOM 816 CG PRO A 48 10.582 -7.610 2.401 1.00 0.00 C ATOM 817 CD PRO A 48 9.977 -7.792 3.760 1.00 0.00 C ATOM 0 HA PRO A 48 11.889 -5.291 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.758 -6.000 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.590 -6.985 2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.826 -7.313 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.020 -8.541 2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.930 -8.088 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.493 -8.565 4.329 1.00 0.00 H new ATOM 825 N ASP A 49 10.754 -3.243 3.818 1.00 0.00 N ATOM 826 CA ASP A 49 10.381 -1.877 3.402 1.00 0.00 C ATOM 827 C ASP A 49 8.889 -1.725 3.254 1.00 0.00 C ATOM 828 O ASP A 49 8.424 -0.904 2.471 1.00 0.00 O ATOM 829 CB ASP A 49 11.079 -1.462 2.081 1.00 0.00 C ATOM 830 CG ASP A 49 12.563 -1.231 2.220 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.339 -2.212 2.192 1.00 0.00 O ATOM 832 OD2 ASP A 49 12.997 -0.059 2.362 1.00 0.00 O ATOM 0 H ASP A 49 11.222 -3.272 4.724 1.00 0.00 H new ATOM 0 HA ASP A 49 10.723 -1.214 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.910 -2.237 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.613 -0.551 1.706 1.00 0.00 H new ATOM 837 N CYS A 50 8.128 -2.451 4.041 1.00 0.00 N ATOM 838 CA CYS A 50 6.708 -2.379 3.916 1.00 0.00 C ATOM 839 C CYS A 50 6.143 -1.468 4.992 1.00 0.00 C ATOM 840 O CYS A 50 6.624 -1.456 6.134 1.00 0.00 O ATOM 841 CB CYS A 50 6.111 -3.773 4.002 1.00 0.00 C ATOM 842 SG CYS A 50 6.812 -4.948 2.812 1.00 0.00 S ATOM 0 H CYS A 50 8.471 -3.086 4.761 1.00 0.00 H new ATOM 0 HA CYS A 50 6.446 -1.959 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.260 -4.160 5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.035 -3.707 3.842 1.00 0.00 H new ATOM 0 HG CYS A 50 8.042 -4.619 2.551 1.00 0.00 H new ATOM 848 N TYR A 51 5.149 -0.710 4.619 1.00 0.00 N ATOM 849 CA TYR A 51 4.515 0.265 5.462 1.00 0.00 C ATOM 850 C TYR A 51 3.014 0.133 5.258 1.00 0.00 C ATOM 851 O TYR A 51 2.580 -0.378 4.210 1.00 0.00 O ATOM 852 CB TYR A 51 4.970 1.694 5.064 1.00 0.00 C ATOM 853 CG TYR A 51 6.480 1.936 5.111 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.300 1.565 4.056 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.074 2.531 6.202 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.666 1.777 4.096 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.440 2.748 6.248 1.00 0.00 C ATOM 858 CZ TYR A 51 9.228 2.367 5.192 1.00 0.00 C ATOM 859 OH TYR A 51 10.594 2.586 5.236 1.00 0.00 O ATOM 0 H TYR A 51 4.743 -0.756 3.684 1.00 0.00 H new ATOM 0 HA TYR A 51 4.784 0.099 6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.617 1.902 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.483 2.410 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.863 1.101 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.462 2.834 7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.286 1.477 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.885 3.216 7.114 1.00 0.00 H new ATOM 0 HH TYR A 51 10.829 3.015 6.085 1.00 0.00 H new ATOM 869 N LYS A 52 2.226 0.559 6.223 1.00 0.00 N ATOM 870 CA LYS A 52 0.785 0.440 6.106 1.00 0.00 C ATOM 871 C LYS A 52 0.059 1.724 6.494 1.00 0.00 C ATOM 872 O LYS A 52 0.443 2.426 7.449 1.00 0.00 O ATOM 873 CB LYS A 52 0.215 -0.782 6.908 1.00 0.00 C ATOM 874 CG LYS A 52 0.198 -0.696 8.464 1.00 0.00 C ATOM 875 CD LYS A 52 1.584 -0.531 9.073 1.00 0.00 C ATOM 876 CE LYS A 52 1.592 -0.732 10.590 1.00 0.00 C ATOM 877 NZ LYS A 52 0.703 0.203 11.315 1.00 0.00 N ATOM 0 H LYS A 52 2.553 0.987 7.089 1.00 0.00 H new ATOM 0 HA LYS A 52 0.593 0.259 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.808 -0.953 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.793 -1.663 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.427 0.144 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.263 -1.598 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.266 -1.246 8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.962 0.465 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.290 -1.755 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.611 -0.612 10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.770 0.023 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.992 1.182 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.279 0.062 11.002 1.00 0.00 H new ATOM 891 N ILE A 53 -0.970 2.032 5.746 1.00 0.00 N ATOM 892 CA ILE A 53 -1.836 3.150 6.036 1.00 0.00 C ATOM 893 C ILE A 53 -3.213 2.596 6.331 1.00 0.00 C ATOM 894 O ILE A 53 -3.629 1.602 5.716 1.00 0.00 O ATOM 895 CB ILE A 53 -1.921 4.187 4.859 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.528 4.744 4.527 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.882 5.340 5.207 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.521 5.766 3.401 1.00 0.00 C ATOM 0 H ILE A 53 -1.234 1.510 4.910 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.425 3.692 6.888 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.310 3.667 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.109 5.203 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.128 3.916 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.922 6.044 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.879 4.940 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.526 5.854 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.499 6.110 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.908 5.308 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.148 6.614 3.675 1.00 0.00 H new ATOM 910 N LYS A 54 -3.889 3.175 7.290 1.00 0.00 N ATOM 911 CA LYS A 54 -5.186 2.762 7.629 1.00 0.00 C ATOM 912 C LYS A 54 -6.117 3.882 7.271 1.00 0.00 C ATOM 913 O LYS A 54 -5.772 5.055 7.417 1.00 0.00 O ATOM 914 CB LYS A 54 -5.340 2.503 9.125 1.00 0.00 C ATOM 915 CG LYS A 54 -4.246 1.674 9.827 1.00 0.00 C ATOM 916 CD LYS A 54 -2.982 2.489 10.120 1.00 0.00 C ATOM 917 CE LYS A 54 -3.274 3.656 11.068 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.077 4.469 11.347 1.00 0.00 N ATOM 0 H LYS A 54 -3.534 3.950 7.849 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.402 1.835 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.403 3.468 9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.294 1.999 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.641 1.276 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.986 0.820 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.224 1.841 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.570 2.872 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.046 4.290 10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.672 3.268 12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.327 5.245 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.348 3.873 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.710 4.863 10.457 1.00 0.00 H new ATOM 932 N LEU A 55 -7.267 3.541 6.829 1.00 0.00 N ATOM 933 CA LEU A 55 -8.251 4.516 6.474 1.00 0.00 C ATOM 934 C LEU A 55 -9.198 4.637 7.647 1.00 0.00 C ATOM 935 O LEU A 55 -9.855 3.657 8.012 1.00 0.00 O ATOM 936 CB LEU A 55 -9.009 4.069 5.216 1.00 0.00 C ATOM 937 CG LEU A 55 -9.820 5.143 4.488 1.00 0.00 C ATOM 938 CD1 LEU A 55 -8.912 6.229 3.987 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.581 4.529 3.334 1.00 0.00 C ATOM 0 H LEU A 55 -7.564 2.574 6.699 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.786 5.477 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.287 3.652 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.686 3.261 5.495 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.533 5.577 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.501 6.987 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.391 6.685 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.183 5.804 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.154 5.303 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.878 4.077 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.260 3.764 3.712 1.00 0.00 H new ATOM 951 N ARG A 56 -9.277 5.808 8.233 1.00 0.00 N ATOM 952 CA ARG A 56 -10.095 6.022 9.427 1.00 0.00 C ATOM 953 C ARG A 56 -11.562 5.967 9.075 1.00 0.00 C ATOM 954 O ARG A 56 -12.388 5.467 9.848 1.00 0.00 O ATOM 955 CB ARG A 56 -9.780 7.377 10.072 1.00 0.00 C ATOM 956 CG ARG A 56 -8.332 7.570 10.486 1.00 0.00 C ATOM 957 CD ARG A 56 -7.860 6.515 11.486 1.00 0.00 C ATOM 958 NE ARG A 56 -8.659 6.484 12.735 1.00 0.00 N ATOM 959 CZ ARG A 56 -8.147 6.655 13.965 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.931 7.172 14.119 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.871 6.375 15.043 1.00 0.00 N ATOM 0 H ARG A 56 -8.785 6.640 7.907 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.861 5.229 10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.050 8.167 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.413 7.500 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.697 7.535 9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.213 8.560 10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.901 5.534 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.816 6.705 11.736 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.663 6.322 12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.384 7.440 13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.546 7.300 15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.824 6.027 14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.474 6.508 15.973 1.00 0.00 H new ATOM 975 N SER A 57 -11.858 6.446 7.894 1.00 0.00 N ATOM 976 CA SER A 57 -13.198 6.540 7.380 1.00 0.00 C ATOM 977 C SER A 57 -13.869 5.167 7.246 1.00 0.00 C ATOM 978 O SER A 57 -15.040 5.007 7.602 1.00 0.00 O ATOM 979 CB SER A 57 -13.143 7.235 6.024 1.00 0.00 C ATOM 980 OG SER A 57 -12.358 8.421 6.114 1.00 0.00 O ATOM 0 H SER A 57 -11.151 6.791 7.245 1.00 0.00 H new ATOM 0 HA SER A 57 -13.801 7.114 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.717 6.563 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.151 7.481 5.691 1.00 0.00 H new ATOM 0 HG SER A 57 -12.327 8.860 5.238 1.00 0.00 H new ATOM 986 N SER A 58 -13.121 4.166 6.814 1.00 0.00 N ATOM 987 CA SER A 58 -13.740 2.888 6.521 1.00 0.00 C ATOM 988 C SER A 58 -13.111 1.693 7.273 1.00 0.00 C ATOM 989 O SER A 58 -13.680 0.603 7.278 1.00 0.00 O ATOM 990 CB SER A 58 -13.702 2.669 5.018 1.00 0.00 C ATOM 991 OG SER A 58 -14.212 3.808 4.339 1.00 0.00 O ATOM 0 H SER A 58 -12.113 4.210 6.662 1.00 0.00 H new ATOM 0 HA SER A 58 -14.768 2.931 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.678 2.475 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.290 1.789 4.757 1.00 0.00 H new ATOM 0 HG SER A 58 -13.519 4.176 3.751 1.00 0.00 H new ATOM 997 N GLY A 59 -11.954 1.882 7.890 1.00 0.00 N ATOM 998 CA GLY A 59 -11.327 0.787 8.628 1.00 0.00 C ATOM 999 C GLY A 59 -10.506 -0.126 7.729 1.00 0.00 C ATOM 1000 O GLY A 59 -10.226 -1.272 8.068 1.00 0.00 O ATOM 0 H GLY A 59 -11.437 2.761 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.685 1.199 9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.098 0.201 9.128 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.110 0.377 6.592 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.332 -0.408 5.658 1.00 0.00 C ATOM 1006 C TYR A 60 -7.851 -0.185 5.867 1.00 0.00 C ATOM 1007 O TYR A 60 -7.445 0.829 6.434 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.741 -0.121 4.203 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.062 -0.759 3.784 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.264 -0.389 4.369 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.096 -1.727 2.790 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.458 -0.964 3.985 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.287 -2.307 2.398 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.465 -1.921 3.000 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.652 -2.508 2.622 1.00 0.00 O ATOM 0 H TYR A 60 -10.311 1.329 6.284 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.543 -1.460 5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.812 0.958 4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.953 -0.477 3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.265 0.365 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.175 -2.032 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.382 -0.663 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.295 -3.059 1.623 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.482 -3.163 1.913 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.068 -1.144 5.446 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.628 -1.102 5.541 1.00 0.00 C ATOM 1027 C ARG A 61 -5.039 -1.240 4.154 1.00 0.00 C ATOM 1028 O ARG A 61 -5.576 -1.970 3.311 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.055 -2.246 6.408 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.179 -2.126 7.931 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.601 -2.223 8.461 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.582 -2.370 9.926 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.643 -2.332 10.750 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.862 -2.070 10.293 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.465 -2.539 12.049 1.00 0.00 N ATOM 0 H ARG A 61 -7.421 -1.999 5.016 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.366 -0.152 6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.544 -3.172 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.997 -2.351 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.579 -2.909 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.754 -1.172 8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.163 -1.331 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.110 -3.074 8.008 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.670 -2.516 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.007 -1.893 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.653 -2.046 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.530 -2.725 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.263 -2.512 12.684 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.974 -0.555 3.915 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.275 -0.654 2.672 1.00 0.00 C ATOM 1051 C LEU A 62 -1.799 -0.848 2.990 1.00 0.00 C ATOM 1052 O LEU A 62 -1.227 -0.087 3.774 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.553 0.608 1.818 1.00 0.00 C ATOM 1054 CG LEU A 62 -3.054 0.614 0.357 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.742 1.710 -0.420 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.561 0.835 0.286 1.00 0.00 C ATOM 0 H LEU A 62 -3.557 0.096 4.580 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.613 -1.504 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.630 0.772 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.107 1.462 2.328 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.288 -0.359 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.384 1.706 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.819 1.542 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.521 2.674 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.242 0.834 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.313 1.794 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.049 0.036 0.823 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.205 -1.873 2.411 1.00 0.00 N ATOM 1069 CA VAL A 63 0.181 -2.219 2.663 1.00 0.00 C ATOM 1070 C VAL A 63 1.001 -2.052 1.388 1.00 0.00 C ATOM 1071 O VAL A 63 0.671 -2.627 0.331 1.00 0.00 O ATOM 1072 CB VAL A 63 0.316 -3.685 3.178 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.774 -4.053 3.415 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.490 -3.887 4.455 1.00 0.00 C ATOM 0 H VAL A 63 -1.672 -2.493 1.749 1.00 0.00 H new ATOM 0 HA VAL A 63 0.557 -1.547 3.434 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.082 -4.343 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.836 -5.080 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.329 -3.960 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.202 -3.382 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.381 -4.917 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.125 -3.209 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.542 -3.680 4.258 1.00 0.00 H new ATOM 1084 N TYR A 64 2.049 -1.289 1.478 1.00 0.00 N ATOM 1085 CA TYR A 64 2.909 -1.030 0.352 1.00 0.00 C ATOM 1086 C TYR A 64 4.354 -1.103 0.772 1.00 0.00 C ATOM 1087 O TYR A 64 4.657 -1.000 1.947 1.00 0.00 O ATOM 1088 CB TYR A 64 2.595 0.347 -0.287 1.00 0.00 C ATOM 1089 CG TYR A 64 2.674 1.553 0.647 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.875 1.972 1.210 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.546 2.280 0.933 1.00 0.00 C ATOM 1092 CE1 TYR A 64 3.930 3.067 2.032 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.591 3.376 1.752 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.789 3.766 2.303 1.00 0.00 C ATOM 1095 OH TYR A 64 2.845 4.857 3.130 1.00 0.00 O ATOM 0 H TYR A 64 2.337 -0.824 2.339 1.00 0.00 H new ATOM 0 HA TYR A 64 2.724 -1.796 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.286 0.507 -1.114 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.592 0.307 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.781 1.424 0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.602 1.981 0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.871 3.375 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.690 3.932 1.964 1.00 0.00 H new ATOM 0 HH TYR A 64 3.726 5.279 3.055 1.00 0.00 H new ATOM 1105 N GLN A 65 5.226 -1.313 -0.162 1.00 0.00 N ATOM 1106 CA GLN A 65 6.629 -1.269 0.113 1.00 0.00 C ATOM 1107 C GLN A 65 7.233 -0.067 -0.568 1.00 0.00 C ATOM 1108 O GLN A 65 6.931 0.218 -1.731 1.00 0.00 O ATOM 1109 CB GLN A 65 7.356 -2.564 -0.282 1.00 0.00 C ATOM 1110 CG GLN A 65 7.216 -2.972 -1.743 1.00 0.00 C ATOM 1111 CD GLN A 65 8.022 -4.213 -2.090 1.00 0.00 C ATOM 1112 OE1 GLN A 65 8.475 -4.375 -3.227 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.222 -5.088 -1.130 1.00 0.00 N ATOM 0 H GLN A 65 4.989 -1.519 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 65 6.757 -1.178 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.416 -2.450 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.982 -3.376 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.164 -3.154 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.538 -2.147 -2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.834 -4.924 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.766 -5.931 -1.314 1.00 0.00 H new ATOM 1122 N VAL A 66 8.035 0.655 0.146 1.00 0.00 N ATOM 1123 CA VAL A 66 8.666 1.814 -0.413 1.00 0.00 C ATOM 1124 C VAL A 66 10.045 1.438 -0.841 1.00 0.00 C ATOM 1125 O VAL A 66 10.910 1.168 -0.011 1.00 0.00 O ATOM 1126 CB VAL A 66 8.742 2.979 0.603 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.455 4.189 0.009 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.358 3.365 1.061 1.00 0.00 C ATOM 0 H VAL A 66 8.271 0.465 1.120 1.00 0.00 H new ATOM 0 HA VAL A 66 8.072 2.157 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 66 9.319 2.636 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.491 4.989 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.470 3.910 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.914 4.534 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.427 4.185 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.765 3.680 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.880 2.509 1.537 1.00 0.00 H new ATOM 1138 N ILE A 67 10.255 1.415 -2.113 1.00 0.00 N ATOM 1139 CA ILE A 67 11.523 1.080 -2.634 1.00 0.00 C ATOM 1140 C ILE A 67 12.218 2.366 -2.986 1.00 0.00 C ATOM 1141 O ILE A 67 11.987 2.925 -4.057 1.00 0.00 O ATOM 1142 CB ILE A 67 11.405 0.206 -3.900 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.420 -0.945 -3.662 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.777 -0.347 -4.266 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.152 -1.783 -4.886 1.00 0.00 C ATOM 0 H ILE A 67 9.548 1.629 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 67 12.079 0.509 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 67 11.031 0.817 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.811 -1.587 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.477 -0.534 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.694 -0.964 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.463 0.478 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.157 -0.951 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.446 -2.576 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.731 -1.156 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.085 -2.225 -5.236 1.00 0.00 H new ATOM 1157 N ASP A 68 13.034 2.851 -2.088 1.00 0.00 N ATOM 1158 CA ASP A 68 13.742 4.115 -2.290 1.00 0.00 C ATOM 1159 C ASP A 68 14.814 3.953 -3.355 1.00 0.00 C ATOM 1160 O ASP A 68 15.163 4.897 -4.046 1.00 0.00 O ATOM 1161 CB ASP A 68 14.325 4.630 -0.970 1.00 0.00 C ATOM 1162 CG ASP A 68 15.066 5.946 -1.111 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.420 7.001 -1.219 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.317 5.948 -1.063 1.00 0.00 O ATOM 0 H ASP A 68 13.235 2.395 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 68 13.032 4.863 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.518 4.752 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.005 3.880 -0.565 1.00 0.00 H new ATOM 1169 N GLU A 69 15.273 2.717 -3.517 1.00 0.00 N ATOM 1170 CA GLU A 69 16.251 2.354 -4.546 1.00 0.00 C ATOM 1171 C GLU A 69 15.690 2.625 -5.942 1.00 0.00 C ATOM 1172 O GLU A 69 16.412 3.011 -6.854 1.00 0.00 O ATOM 1173 CB GLU A 69 16.584 0.868 -4.461 1.00 0.00 C ATOM 1174 CG GLU A 69 17.186 0.408 -3.154 1.00 0.00 C ATOM 1175 CD GLU A 69 17.468 -1.069 -3.181 1.00 0.00 C ATOM 1176 OE1 GLU A 69 18.527 -1.472 -3.669 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.610 -1.864 -2.730 1.00 0.00 O ATOM 0 H GLU A 69 14.978 1.932 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 69 17.144 2.955 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.672 0.299 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.277 0.623 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.109 0.955 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.504 0.637 -2.335 1.00 0.00 H new ATOM 1184 N LYS A 70 14.397 2.392 -6.097 1.00 0.00 N ATOM 1185 CA LYS A 70 13.731 2.556 -7.384 1.00 0.00 C ATOM 1186 C LYS A 70 12.836 3.795 -7.379 1.00 0.00 C ATOM 1187 O LYS A 70 12.194 4.125 -8.392 1.00 0.00 O ATOM 1188 CB LYS A 70 12.905 1.311 -7.700 1.00 0.00 C ATOM 1189 CG LYS A 70 13.714 0.029 -7.773 1.00 0.00 C ATOM 1190 CD LYS A 70 12.819 -1.171 -8.021 1.00 0.00 C ATOM 1191 CE LYS A 70 13.617 -2.460 -8.032 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.749 -3.640 -8.166 1.00 0.00 N ATOM 0 H LYS A 70 13.782 2.086 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 70 14.491 2.689 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.134 1.198 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.394 1.460 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.452 0.107 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.264 -0.110 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.053 -1.222 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.303 -1.052 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.331 -2.438 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.195 -2.537 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.332 -4.501 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.085 -3.675 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.216 -3.579 -9.057 1.00 0.00 H new ATOM 1206 N VAL A 71 12.798 4.457 -6.220 1.00 0.00 N ATOM 1207 CA VAL A 71 12.004 5.674 -5.960 1.00 0.00 C ATOM 1208 C VAL A 71 10.488 5.398 -6.210 1.00 0.00 C ATOM 1209 O VAL A 71 9.701 6.278 -6.562 1.00 0.00 O ATOM 1210 CB VAL A 71 12.525 6.892 -6.809 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.915 8.202 -6.331 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.051 6.984 -6.761 1.00 0.00 C ATOM 0 H VAL A 71 13.334 4.156 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 71 12.126 5.946 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 71 12.215 6.721 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.295 9.023 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.830 8.154 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.182 8.368 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.383 7.835 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.375 7.115 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.484 6.068 -7.164 1.00 0.00 H new ATOM 1222 N VAL A 72 10.070 4.186 -5.944 1.00 0.00 N ATOM 1223 CA VAL A 72 8.700 3.813 -6.193 1.00 0.00 C ATOM 1224 C VAL A 72 8.084 3.150 -4.967 1.00 0.00 C ATOM 1225 O VAL A 72 8.746 2.396 -4.245 1.00 0.00 O ATOM 1226 CB VAL A 72 8.554 2.894 -7.463 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.289 1.580 -7.296 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.091 2.645 -7.830 1.00 0.00 C ATOM 0 H VAL A 72 10.654 3.445 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 72 8.152 4.732 -6.399 1.00 0.00 H new ATOM 0 HB VAL A 72 9.016 3.438 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.163 0.976 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.349 1.774 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.884 1.043 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.041 2.006 -8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.585 2.155 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.602 3.596 -8.042 1.00 0.00 H new ATOM 1238 N VAL A 73 6.866 3.496 -4.711 1.00 0.00 N ATOM 1239 CA VAL A 73 6.087 2.913 -3.681 1.00 0.00 C ATOM 1240 C VAL A 73 5.199 1.873 -4.343 1.00 0.00 C ATOM 1241 O VAL A 73 4.343 2.199 -5.175 1.00 0.00 O ATOM 1242 CB VAL A 73 5.227 3.985 -2.978 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.374 3.378 -1.892 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.110 5.076 -2.406 1.00 0.00 C ATOM 0 H VAL A 73 6.372 4.219 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 73 6.723 2.460 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 73 4.561 4.422 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.781 4.159 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.710 2.631 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.015 2.905 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.490 5.825 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.800 4.643 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.676 5.546 -3.211 1.00 0.00 H new ATOM 1254 N PHE A 74 5.420 0.654 -4.002 1.00 0.00 N ATOM 1255 CA PHE A 74 4.752 -0.449 -4.616 1.00 0.00 C ATOM 1256 C PHE A 74 3.712 -1.013 -3.662 1.00 0.00 C ATOM 1257 O PHE A 74 4.058 -1.581 -2.630 1.00 0.00 O ATOM 1258 CB PHE A 74 5.814 -1.507 -4.967 1.00 0.00 C ATOM 1259 CG PHE A 74 5.317 -2.723 -5.685 1.00 0.00 C ATOM 1260 CD1 PHE A 74 5.132 -2.700 -7.051 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.063 -3.900 -4.996 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.703 -3.821 -7.720 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.629 -5.024 -5.661 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.449 -4.985 -7.026 1.00 0.00 C ATOM 0 H PHE A 74 6.082 0.385 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 74 4.235 -0.136 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.580 -1.034 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.298 -1.827 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.326 -1.791 -7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.207 -3.935 -3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.565 -3.790 -8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.430 -5.934 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.109 -5.865 -7.552 1.00 0.00 H new ATOM 1274 N VAL A 75 2.452 -0.823 -3.988 1.00 0.00 N ATOM 1275 CA VAL A 75 1.366 -1.343 -3.183 1.00 0.00 C ATOM 1276 C VAL A 75 1.293 -2.833 -3.380 1.00 0.00 C ATOM 1277 O VAL A 75 1.147 -3.320 -4.512 1.00 0.00 O ATOM 1278 CB VAL A 75 0.000 -0.682 -3.527 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.133 -1.268 -2.672 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.077 0.825 -3.333 1.00 0.00 C ATOM 0 H VAL A 75 2.151 -0.306 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 75 1.569 -1.106 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.220 -0.895 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.074 -0.786 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.210 -2.340 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.920 -1.095 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.886 1.273 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.327 1.046 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.845 1.237 -3.987 1.00 0.00 H new ATOM 1290 N ILE A 76 1.413 -3.544 -2.296 1.00 0.00 N ATOM 1291 CA ILE A 76 1.466 -4.973 -2.335 1.00 0.00 C ATOM 1292 C ILE A 76 0.075 -5.545 -2.107 1.00 0.00 C ATOM 1293 O ILE A 76 -0.351 -6.493 -2.773 1.00 0.00 O ATOM 1294 CB ILE A 76 2.397 -5.509 -1.215 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.774 -4.843 -1.273 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.553 -7.008 -1.344 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.702 -5.276 -0.156 1.00 0.00 C ATOM 0 H ILE A 76 1.477 -3.146 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 76 1.848 -5.274 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 76 1.939 -5.270 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.240 -5.073 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.648 -3.761 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.208 -7.375 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.577 -7.484 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.987 -7.246 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.659 -4.765 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.257 -5.022 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.858 -6.353 -0.210 1.00 0.00 H new ATOM 1309 N SER A 77 -0.638 -4.971 -1.168 1.00 0.00 N ATOM 1310 CA SER A 77 -1.936 -5.470 -0.800 1.00 0.00 C ATOM 1311 C SER A 77 -2.784 -4.350 -0.245 1.00 0.00 C ATOM 1312 O SER A 77 -2.259 -3.369 0.293 1.00 0.00 O ATOM 1313 CB SER A 77 -1.780 -6.577 0.245 1.00 0.00 C ATOM 1314 OG SER A 77 -0.946 -7.604 -0.249 1.00 0.00 O ATOM 0 H SER A 77 -0.336 -4.151 -0.642 1.00 0.00 H new ATOM 0 HA SER A 77 -2.429 -5.876 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.357 -6.165 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.758 -6.985 0.501 1.00 0.00 H new ATOM 0 HG SER A 77 -1.151 -7.766 -1.194 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.068 -4.487 -0.375 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.995 -3.513 0.110 1.00 0.00 C ATOM 1322 C VAL A 78 -6.278 -4.238 0.514 1.00 0.00 C ATOM 1323 O VAL A 78 -6.636 -5.246 -0.106 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.264 -2.412 -0.974 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.895 -2.981 -2.237 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.088 -1.272 -0.422 1.00 0.00 C ATOM 0 H VAL A 78 -4.507 -5.289 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.584 -2.998 0.979 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.289 -2.014 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.060 -2.178 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.229 -3.726 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.848 -3.448 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.253 -0.530 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.049 -1.652 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.558 -0.810 0.411 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.908 -3.795 1.573 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.122 -4.425 2.006 1.00 0.00 C ATOM 1338 C GLY A 79 -8.367 -4.214 3.467 1.00 0.00 C ATOM 1339 O GLY A 79 -8.264 -3.103 3.957 1.00 0.00 O ATOM 0 H GLY A 79 -6.601 -3.008 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.961 -4.027 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.072 -5.493 1.796 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.677 -5.262 4.172 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.964 -5.164 5.581 1.00 0.00 C ATOM 1345 C LYS A 80 -8.055 -6.087 6.379 1.00 0.00 C ATOM 1346 O LYS A 80 -7.405 -6.973 5.820 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.434 -5.479 5.845 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.396 -4.544 5.127 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.843 -4.876 5.422 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.229 -4.535 6.853 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.590 -5.001 7.169 1.00 0.00 N ATOM 0 H LYS A 80 -8.739 -6.207 3.793 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.771 -4.142 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.638 -6.504 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.621 -5.426 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.192 -3.516 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.223 -4.603 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.487 -4.329 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.014 -5.938 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.518 -4.991 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.169 -3.457 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.822 -4.753 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.270 -4.546 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.640 -6.033 7.052 1.00 0.00 H new ATOM 1365 N ALA A 81 -8.031 -5.902 7.680 1.00 0.00 N ATOM 1366 CA ALA A 81 -7.149 -6.670 8.541 1.00 0.00 C ATOM 1367 C ALA A 81 -7.841 -7.901 9.087 1.00 0.00 C ATOM 1368 O ALA A 81 -7.260 -8.651 9.870 1.00 0.00 O ATOM 1369 CB ALA A 81 -6.629 -5.809 9.673 1.00 0.00 C ATOM 0 H ALA A 81 -8.614 -5.224 8.170 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.305 -7.003 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.970 -6.401 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.075 -4.964 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.467 -5.440 10.264 1.00 0.00 H new ATOM 1426 N VAL A 86 -4.730 -8.930 4.676 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.726 -8.053 4.053 1.00 0.00 C ATOM 1428 C VAL A 86 -2.291 -8.475 4.345 1.00 0.00 C ATOM 1429 O VAL A 86 -1.407 -8.207 3.559 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.901 -6.551 4.413 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -5.153 -5.993 3.782 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.926 -6.342 5.926 1.00 0.00 C ATOM 0 HA VAL A 86 -3.911 -8.171 2.985 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.042 -6.012 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.256 -4.941 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.088 -6.090 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.020 -6.545 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.050 -5.281 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.757 -6.901 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.989 -6.695 6.358 1.00 0.00 H new ATOM 1442 N TYR A 87 -2.071 -9.157 5.450 1.00 0.00 N ATOM 1443 CA TYR A 87 -0.728 -9.555 5.810 1.00 0.00 C ATOM 1444 C TYR A 87 -0.334 -10.803 5.043 1.00 0.00 C ATOM 1445 O TYR A 87 0.777 -10.889 4.512 1.00 0.00 O ATOM 1446 CB TYR A 87 -0.584 -9.773 7.320 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.877 -8.542 8.164 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -0.115 -7.384 8.035 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -1.910 -8.542 9.091 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -0.376 -6.266 8.808 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -2.174 -7.430 9.867 1.00 0.00 C ATOM 1452 CZ TYR A 87 -1.408 -6.297 9.724 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.677 -5.185 10.502 1.00 0.00 O ATOM 0 H TYR A 87 -2.796 -9.444 6.107 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.052 -8.744 5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.256 -10.575 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.431 -10.110 7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.694 -7.358 7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.518 -9.427 9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.224 -5.375 8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.981 -7.450 10.585 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.435 -5.375 11.093 1.00 0.00 H new ATOM 1463 N SER A 88 -1.263 -11.746 4.956 1.00 0.00 N ATOM 1464 CA SER A 88 -1.047 -12.986 4.230 1.00 0.00 C ATOM 1465 C SER A 88 -0.858 -12.693 2.738 1.00 0.00 C ATOM 1466 O SER A 88 0.024 -13.261 2.079 1.00 0.00 O ATOM 1467 CB SER A 88 -2.249 -13.899 4.442 1.00 0.00 C ATOM 1468 OG SER A 88 -2.514 -14.057 5.830 1.00 0.00 O ATOM 0 H SER A 88 -2.185 -11.671 5.386 1.00 0.00 H new ATOM 0 HA SER A 88 -0.148 -13.478 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.124 -13.481 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.059 -14.872 3.989 1.00 0.00 H new ATOM 0 HG SER A 88 -3.289 -14.644 5.950 1.00 0.00 H new ATOM 1474 N GLU A 89 -1.672 -11.776 2.227 1.00 0.00 N ATOM 1475 CA GLU A 89 -1.610 -11.366 0.843 1.00 0.00 C ATOM 1476 C GLU A 89 -0.241 -10.732 0.569 1.00 0.00 C ATOM 1477 O GLU A 89 0.447 -11.102 -0.396 1.00 0.00 O ATOM 1478 CB GLU A 89 -2.728 -10.347 0.564 1.00 0.00 C ATOM 1479 CG GLU A 89 -2.972 -10.023 -0.909 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.535 -11.188 -1.672 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -4.672 -11.594 -1.393 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -2.861 -11.731 -2.563 1.00 0.00 O ATOM 0 H GLU A 89 -2.393 -11.299 2.769 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.744 -12.229 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.656 -10.726 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.490 -9.421 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.658 -9.180 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.034 -9.712 -1.369 1.00 0.00 H new ATOM 1489 N ALA A 90 0.169 -9.837 1.469 1.00 0.00 N ATOM 1490 CA ALA A 90 1.404 -9.078 1.337 1.00 0.00 C ATOM 1491 C ALA A 90 2.633 -9.957 1.319 1.00 0.00 C ATOM 1492 O ALA A 90 3.436 -9.879 0.386 1.00 0.00 O ATOM 1493 CB ALA A 90 1.522 -8.027 2.431 1.00 0.00 C ATOM 0 H ALA A 90 -0.355 -9.620 2.317 1.00 0.00 H new ATOM 0 HA ALA A 90 1.353 -8.578 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.454 -7.476 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.681 -7.337 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.516 -8.514 3.406 1.00 0.00 H new