USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 38 SER OG : rot 180:sc= -0.599 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.03 K(o=-1.6,f=-4.6) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -134:sc= -0.0564 (180deg=-0.671) USER MOD Set 2.2: A 92 SER OG : rot -170:sc= -0.544 USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 ASN : amide:sc= 0.00862 K(o=0.0086,f=-0.84) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 14 TYR OH : rot 74:sc= 1.29 USER MOD Single : A 15 SER OG : rot 29:sc= 0.259 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -160:sc= -0.767 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0309) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.449 K(o=0.45,f=-10!) USER MOD Single : A 63 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.11) USER MOD Single : A 64 SER OG : rot -10:sc= -1 USER MOD Single : A 65 ASN : amide:sc= -1.98 X(o=-2,f=-1.8) USER MOD Single : A 68 THR OG1 : rot -0:sc= 0.385 USER MOD Single : A 70 THR OG1 : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 77 SER OG : rot 180:sc= -0.283 USER MOD Single : A 78 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -2.32 F(o=-3.6!,f=-2.3) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.61 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.73) USER MOD Single : A 103 SER OG : rot 37:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -9.744 -15.681 1.977 1.00 0.00 N ATOM 67 CA LEU A 8 -9.611 -14.283 1.582 1.00 0.00 C ATOM 68 C LEU A 8 -8.626 -13.552 2.488 1.00 0.00 C ATOM 69 O LEU A 8 -8.547 -13.803 3.691 1.00 0.00 O ATOM 70 CB LEU A 8 -10.974 -13.589 1.626 1.00 0.00 C ATOM 71 CG LEU A 8 -12.046 -14.155 0.694 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.387 -13.486 0.954 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.634 -13.980 -0.761 1.00 0.00 C ATOM 0 HA LEU A 8 -9.228 -14.254 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.349 -13.634 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.831 -12.536 1.385 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.150 -15.221 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.137 -13.902 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.688 -13.663 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.298 -12.414 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.409 -14.388 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.502 -12.920 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.696 -14.506 -0.939 1.00 0.00 H new ATOM 85 N PRO A 9 -7.857 -12.623 1.899 1.00 0.00 N ATOM 86 CA PRO A 9 -6.865 -11.834 2.636 1.00 0.00 C ATOM 87 C PRO A 9 -7.511 -10.836 3.590 1.00 0.00 C ATOM 88 O PRO A 9 -8.446 -10.127 3.221 1.00 0.00 O ATOM 89 CB PRO A 9 -6.104 -11.100 1.529 1.00 0.00 C ATOM 90 CG PRO A 9 -7.066 -11.021 0.395 1.00 0.00 C ATOM 91 CD PRO A 9 -7.898 -12.272 0.470 1.00 0.00 C ATOM 0 HA PRO A 9 -6.232 -12.459 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.793 -10.107 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.201 -11.640 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.691 -10.131 0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.541 -10.958 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.918 -12.097 0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.485 -13.067 -0.151 1.00 0.00 H new ATOM 99 N GLN A 10 -7.006 -10.786 4.819 1.00 0.00 N ATOM 100 CA GLN A 10 -7.535 -9.874 5.826 1.00 0.00 C ATOM 101 C GLN A 10 -6.435 -8.971 6.373 1.00 0.00 C ATOM 102 O GLN A 10 -5.312 -9.416 6.612 1.00 0.00 O ATOM 103 CB GLN A 10 -8.180 -10.661 6.968 1.00 0.00 C ATOM 104 CG GLN A 10 -8.667 -9.785 8.111 1.00 0.00 C ATOM 105 CD GLN A 10 -9.835 -8.904 7.715 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.568 -9.211 6.774 1.00 0.00 O ATOM 107 NE2 GLN A 10 -10.016 -7.802 8.433 1.00 0.00 N ATOM 0 H GLN A 10 -6.231 -11.366 5.141 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.292 -9.248 5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.021 -11.232 6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.459 -11.381 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.962 -10.418 8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.846 -9.158 8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.384 -7.586 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.787 -7.171 8.213 1.00 0.00 H new ATOM 116 N VAL A 11 -6.764 -7.698 6.569 1.00 0.00 N ATOM 117 CA VAL A 11 -5.804 -6.731 7.088 1.00 0.00 C ATOM 118 C VAL A 11 -6.304 -6.104 8.385 1.00 0.00 C ATOM 119 O VAL A 11 -7.162 -5.223 8.370 1.00 0.00 O ATOM 120 CB VAL A 11 -5.524 -5.614 6.066 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.587 -4.572 6.658 1.00 0.00 C ATOM 122 CG2 VAL A 11 -4.945 -6.197 4.785 1.00 0.00 C ATOM 0 H VAL A 11 -7.688 -7.312 6.376 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.880 -7.275 7.282 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.466 -5.124 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.400 -3.790 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.044 -4.133 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.644 -5.045 6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.753 -5.394 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.012 -6.713 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.655 -6.902 4.353 1.00 0.00 H new ATOM 132 N GLU A 12 -5.759 -6.565 9.507 1.00 0.00 N ATOM 133 CA GLU A 12 -6.150 -6.049 10.814 1.00 0.00 C ATOM 134 C GLU A 12 -5.532 -4.677 11.064 1.00 0.00 C ATOM 135 O GLU A 12 -6.233 -3.718 11.387 1.00 0.00 O ATOM 136 CB GLU A 12 -5.726 -7.020 11.918 1.00 0.00 C ATOM 137 CG GLU A 12 -6.498 -6.842 13.214 1.00 0.00 C ATOM 138 CD GLU A 12 -7.807 -7.607 13.224 1.00 0.00 C ATOM 139 OE1 GLU A 12 -8.627 -7.390 12.307 1.00 0.00 O ATOM 140 OE2 GLU A 12 -8.013 -8.422 14.147 1.00 0.00 O ATOM 0 H GLU A 12 -5.046 -7.294 9.537 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.235 -5.947 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.860 -8.042 11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.662 -6.888 12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.881 -7.175 14.049 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.700 -5.782 13.369 1.00 0.00 H new ATOM 147 N ALA A 13 -4.215 -4.591 10.912 1.00 0.00 N ATOM 148 CA ALA A 13 -3.502 -3.337 11.119 1.00 0.00 C ATOM 149 C ALA A 13 -2.299 -3.228 10.188 1.00 0.00 C ATOM 150 O ALA A 13 -1.982 -4.166 9.456 1.00 0.00 O ATOM 151 CB ALA A 13 -3.061 -3.214 12.570 1.00 0.00 C ATOM 0 H ALA A 13 -3.620 -5.375 10.646 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.183 -2.518 10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.530 -2.273 12.710 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.936 -3.237 13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.401 -4.044 12.821 1.00 0.00 H new ATOM 157 N TYR A 14 -1.634 -2.079 10.219 1.00 0.00 N ATOM 158 CA TYR A 14 -0.468 -1.846 9.375 1.00 0.00 C ATOM 159 C TYR A 14 0.410 -0.741 9.952 1.00 0.00 C ATOM 160 O TYR A 14 -0.077 0.169 10.624 1.00 0.00 O ATOM 161 CB TYR A 14 -0.905 -1.478 7.956 1.00 0.00 C ATOM 162 CG TYR A 14 -1.911 -0.351 7.906 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.542 0.950 8.222 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.231 -0.588 7.543 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.459 1.983 8.177 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.154 0.439 7.494 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.763 1.722 7.813 1.00 0.00 C ATOM 168 OH TYR A 14 -4.680 2.748 7.767 1.00 0.00 O ATOM 0 H TYR A 14 -1.883 -1.293 10.820 1.00 0.00 H new ATOM 0 HA TYR A 14 0.114 -2.767 9.341 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.026 -1.196 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.334 -2.358 7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.521 1.158 8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.541 -1.592 7.295 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.156 2.989 8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.176 0.238 7.208 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.504 3.309 6.983 1.00 0.00 H new ATOM 178 N SER A 15 1.709 -0.825 9.684 1.00 0.00 N ATOM 179 CA SER A 15 2.658 0.165 10.178 1.00 0.00 C ATOM 180 C SER A 15 3.865 0.272 9.251 1.00 0.00 C ATOM 181 O SER A 15 4.241 -0.680 8.567 1.00 0.00 O ATOM 182 CB SER A 15 3.118 -0.198 11.592 1.00 0.00 C ATOM 183 OG SER A 15 2.235 0.329 12.566 1.00 0.00 O ATOM 0 H SER A 15 2.128 -1.569 9.127 1.00 0.00 H new ATOM 0 HA SER A 15 2.155 1.132 10.204 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.171 -1.282 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.123 0.188 11.761 1.00 0.00 H new ATOM 0 HG SER A 15 1.334 0.398 12.187 1.00 0.00 H new ATOM 189 N PRO A 16 4.488 1.460 9.225 1.00 0.00 N ATOM 190 CA PRO A 16 4.049 2.601 10.034 1.00 0.00 C ATOM 191 C PRO A 16 2.721 3.176 9.553 1.00 0.00 C ATOM 192 O PRO A 16 2.412 3.137 8.362 1.00 0.00 O ATOM 193 CB PRO A 16 5.174 3.622 9.847 1.00 0.00 C ATOM 194 CG PRO A 16 5.786 3.274 8.534 1.00 0.00 C ATOM 195 CD PRO A 16 5.667 1.780 8.405 1.00 0.00 C ATOM 0 HA PRO A 16 3.877 2.322 11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.788 4.641 9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.904 3.559 10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.270 3.779 7.717 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.829 3.587 8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.529 1.476 7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.560 1.273 8.770 1.00 0.00 H new ATOM 203 N SER A 17 1.941 3.711 10.486 1.00 0.00 N ATOM 204 CA SER A 17 0.644 4.292 10.157 1.00 0.00 C ATOM 205 C SER A 17 0.759 5.235 8.963 1.00 0.00 C ATOM 206 O SER A 17 -0.183 5.387 8.186 1.00 0.00 O ATOM 207 CB SER A 17 0.078 5.045 11.363 1.00 0.00 C ATOM 208 OG SER A 17 1.000 6.009 11.842 1.00 0.00 O ATOM 0 H SER A 17 2.184 3.755 11.476 1.00 0.00 H new ATOM 0 HA SER A 17 -0.034 3.480 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.854 5.536 11.084 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.160 4.338 12.158 1.00 0.00 H new ATOM 0 HG SER A 17 0.614 6.477 12.611 1.00 0.00 H new ATOM 214 N ALA A 18 1.920 5.865 8.824 1.00 0.00 N ATOM 215 CA ALA A 18 2.160 6.792 7.725 1.00 0.00 C ATOM 216 C ALA A 18 3.611 6.729 7.261 1.00 0.00 C ATOM 217 O ALA A 18 4.460 6.133 7.925 1.00 0.00 O ATOM 218 CB ALA A 18 1.798 8.210 8.140 1.00 0.00 C ATOM 0 H ALA A 18 2.710 5.750 9.459 1.00 0.00 H new ATOM 0 HA ALA A 18 1.525 6.497 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.983 8.891 7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.744 8.251 8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.408 8.506 8.994 1.00 0.00 H new ATOM 224 N CYS A 19 3.889 7.346 6.118 1.00 0.00 N ATOM 225 CA CYS A 19 5.239 7.359 5.564 1.00 0.00 C ATOM 226 C CYS A 19 5.439 8.562 4.648 1.00 0.00 C ATOM 227 O CYS A 19 4.496 9.298 4.358 1.00 0.00 O ATOM 228 CB CYS A 19 5.509 6.066 4.794 1.00 0.00 C ATOM 229 SG CYS A 19 7.247 5.569 4.773 1.00 0.00 S ATOM 0 H CYS A 19 3.198 7.844 5.557 1.00 0.00 H new ATOM 0 HA CYS A 19 5.944 7.434 6.392 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.918 5.263 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.165 6.189 3.767 1.00 0.00 H new ATOM 0 HG CYS A 19 7.451 4.744 3.789 1.00 0.00 H new ATOM 235 N SER A 20 6.674 8.756 4.195 1.00 0.00 N ATOM 236 CA SER A 20 6.999 9.872 3.316 1.00 0.00 C ATOM 237 C SER A 20 6.725 9.514 1.859 1.00 0.00 C ATOM 238 O SER A 20 6.948 8.381 1.433 1.00 0.00 O ATOM 239 CB SER A 20 8.466 10.273 3.487 1.00 0.00 C ATOM 240 OG SER A 20 9.331 9.238 3.053 1.00 0.00 O ATOM 0 H SER A 20 7.465 8.154 4.423 1.00 0.00 H new ATOM 0 HA SER A 20 6.365 10.715 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.667 11.181 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.664 10.502 4.534 1.00 0.00 H new ATOM 0 HG SER A 20 10.262 9.519 3.171 1.00 0.00 H new ATOM 246 N VAL A 21 6.238 10.490 1.098 1.00 0.00 N ATOM 247 CA VAL A 21 5.934 10.280 -0.312 1.00 0.00 C ATOM 248 C VAL A 21 7.026 9.464 -0.995 1.00 0.00 C ATOM 249 O VAL A 21 6.775 8.780 -1.987 1.00 0.00 O ATOM 250 CB VAL A 21 5.767 11.618 -1.056 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.495 12.323 -0.609 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.983 12.504 -0.836 1.00 0.00 C ATOM 0 H VAL A 21 6.046 11.433 1.435 1.00 0.00 H new ATOM 0 HA VAL A 21 4.994 9.730 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 21 5.683 11.413 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.394 13.266 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.634 11.690 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.545 12.518 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.848 13.445 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.100 12.703 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.874 11.999 -1.211 1.00 0.00 H new ATOM 262 N ARG A 22 8.238 9.542 -0.457 1.00 0.00 N ATOM 263 CA ARG A 22 9.370 8.811 -1.014 1.00 0.00 C ATOM 264 C ARG A 22 9.212 7.310 -0.791 1.00 0.00 C ATOM 265 O ARG A 22 9.498 6.506 -1.677 1.00 0.00 O ATOM 266 CB ARG A 22 10.678 9.296 -0.385 1.00 0.00 C ATOM 267 CG ARG A 22 10.922 10.786 -0.560 1.00 0.00 C ATOM 268 CD ARG A 22 12.408 11.110 -0.560 1.00 0.00 C ATOM 269 NE ARG A 22 12.988 11.020 0.777 1.00 0.00 N ATOM 270 CZ ARG A 22 14.287 10.863 1.005 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.137 10.781 -0.009 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.739 10.789 2.251 1.00 0.00 N ATOM 0 H ARG A 22 8.462 10.104 0.364 1.00 0.00 H new ATOM 0 HA ARG A 22 9.399 9.000 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.669 9.060 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.509 8.746 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.475 11.122 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.429 11.334 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.929 10.424 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.560 12.115 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 22 12.361 11.081 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.794 10.838 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.134 10.660 0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.089 10.853 3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.737 10.668 2.425 1.00 0.00 H new ATOM 286 N GLY A 23 8.753 6.939 0.401 1.00 0.00 N ATOM 287 CA GLY A 23 8.565 5.536 0.720 1.00 0.00 C ATOM 288 C GLY A 23 9.868 4.837 1.053 1.00 0.00 C ATOM 289 O GLY A 23 10.622 5.291 1.913 1.00 0.00 O ATOM 0 H GLY A 23 8.508 7.585 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.882 5.447 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.093 5.035 -0.125 1.00 0.00 H new ATOM 293 N GLY A 24 10.134 3.727 0.371 1.00 0.00 N ATOM 294 CA GLY A 24 11.355 2.981 0.615 1.00 0.00 C ATOM 295 C GLY A 24 11.548 2.648 2.081 1.00 0.00 C ATOM 296 O GLY A 24 12.661 2.721 2.599 1.00 0.00 O ATOM 0 H GLY A 24 9.526 3.331 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.335 2.058 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.208 3.561 0.262 1.00 0.00 H new ATOM 300 N GLU A 25 10.459 2.283 2.752 1.00 0.00 N ATOM 301 CA GLU A 25 10.514 1.940 4.168 1.00 0.00 C ATOM 302 C GLU A 25 9.914 0.559 4.417 1.00 0.00 C ATOM 303 O GLU A 25 9.307 -0.035 3.527 1.00 0.00 O ATOM 304 CB GLU A 25 9.772 2.989 4.999 1.00 0.00 C ATOM 305 CG GLU A 25 10.548 4.282 5.180 1.00 0.00 C ATOM 306 CD GLU A 25 11.544 4.210 6.322 1.00 0.00 C ATOM 307 OE1 GLU A 25 12.433 3.334 6.279 1.00 0.00 O ATOM 308 OE2 GLU A 25 11.433 5.030 7.257 1.00 0.00 O ATOM 0 H GLU A 25 9.529 2.217 2.338 1.00 0.00 H new ATOM 0 HA GLU A 25 11.561 1.922 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.818 3.211 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.546 2.570 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.077 4.516 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.849 5.098 5.363 1.00 0.00 H new ATOM 315 N GLU A 26 10.088 0.056 5.635 1.00 0.00 N ATOM 316 CA GLU A 26 9.565 -1.255 6.001 1.00 0.00 C ATOM 317 C GLU A 26 8.089 -1.166 6.378 1.00 0.00 C ATOM 318 O GLU A 26 7.731 -0.574 7.397 1.00 0.00 O ATOM 319 CB GLU A 26 10.366 -1.842 7.166 1.00 0.00 C ATOM 320 CG GLU A 26 10.383 -3.361 7.189 1.00 0.00 C ATOM 321 CD GLU A 26 11.384 -3.918 8.182 1.00 0.00 C ATOM 322 OE1 GLU A 26 11.631 -3.255 9.211 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.920 -5.017 7.930 1.00 0.00 O ATOM 0 H GLU A 26 10.587 0.536 6.384 1.00 0.00 H new ATOM 0 HA GLU A 26 9.662 -1.911 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.391 -1.476 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.947 -1.478 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.387 -3.728 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.620 -3.733 6.192 1.00 0.00 H new ATOM 330 N LEU A 27 7.236 -1.758 5.549 1.00 0.00 N ATOM 331 CA LEU A 27 5.798 -1.746 5.794 1.00 0.00 C ATOM 332 C LEU A 27 5.304 -3.129 6.205 1.00 0.00 C ATOM 333 O LEU A 27 5.094 -4.001 5.363 1.00 0.00 O ATOM 334 CB LEU A 27 5.052 -1.277 4.543 1.00 0.00 C ATOM 335 CG LEU A 27 3.539 -1.113 4.686 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.213 0.017 5.651 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.899 -0.859 3.329 1.00 0.00 C ATOM 0 H LEU A 27 7.515 -2.252 4.702 1.00 0.00 H new ATOM 0 HA LEU A 27 5.599 -1.052 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.473 -0.321 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.246 -1.989 3.741 1.00 0.00 H new ATOM 0 HG LEU A 27 3.130 -2.039 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.131 0.119 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.638 -0.206 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.635 0.949 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.822 -0.745 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.314 0.051 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.102 -1.701 2.667 1.00 0.00 H new ATOM 349 N VAL A 28 5.118 -3.321 7.508 1.00 0.00 N ATOM 350 CA VAL A 28 4.645 -4.597 8.032 1.00 0.00 C ATOM 351 C VAL A 28 3.131 -4.593 8.204 1.00 0.00 C ATOM 352 O VAL A 28 2.587 -3.821 8.996 1.00 0.00 O ATOM 353 CB VAL A 28 5.304 -4.927 9.384 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.774 -6.245 9.929 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.818 -4.970 9.242 1.00 0.00 C ATOM 0 H VAL A 28 5.288 -2.610 8.219 1.00 0.00 H new ATOM 0 HA VAL A 28 4.923 -5.360 7.305 1.00 0.00 H new ATOM 0 HB VAL A 28 5.051 -4.140 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.251 -6.462 10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.696 -6.173 10.070 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.995 -7.046 9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.267 -5.204 10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.094 -5.736 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.179 -4.000 8.900 1.00 0.00 H new ATOM 365 N LEU A 29 2.454 -5.460 7.459 1.00 0.00 N ATOM 366 CA LEU A 29 1.000 -5.557 7.530 1.00 0.00 C ATOM 367 C LEU A 29 0.575 -6.742 8.391 1.00 0.00 C ATOM 368 O LEU A 29 1.106 -7.845 8.255 1.00 0.00 O ATOM 369 CB LEU A 29 0.409 -5.694 6.125 1.00 0.00 C ATOM 370 CG LEU A 29 0.742 -4.570 5.144 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.603 -5.054 3.710 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.152 -3.364 5.392 1.00 0.00 C ATOM 0 H LEU A 29 2.888 -6.105 6.799 1.00 0.00 H new ATOM 0 HA LEU A 29 0.621 -4.644 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.754 -6.636 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.675 -5.762 6.214 1.00 0.00 H new ATOM 0 HG LEU A 29 1.777 -4.269 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.844 -4.240 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.286 -5.886 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.421 -5.384 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.099 -2.573 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.195 -3.651 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.001 -3.002 6.409 1.00 0.00 H new ATOM 384 N THR A 30 -0.389 -6.509 9.276 1.00 0.00 N ATOM 385 CA THR A 30 -0.887 -7.557 10.158 1.00 0.00 C ATOM 386 C THR A 30 -2.245 -8.070 9.691 1.00 0.00 C ATOM 387 O THR A 30 -3.098 -7.295 9.261 1.00 0.00 O ATOM 388 CB THR A 30 -1.012 -7.056 11.610 1.00 0.00 C ATOM 389 OG1 THR A 30 0.239 -6.518 12.052 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.440 -8.185 12.536 1.00 0.00 C ATOM 0 H THR A 30 -0.841 -5.603 9.401 1.00 0.00 H new ATOM 0 HA THR A 30 -0.163 -8.371 10.123 1.00 0.00 H new ATOM 0 HB THR A 30 -1.772 -6.276 11.638 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.151 -6.200 12.975 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.522 -7.808 13.556 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.406 -8.573 12.214 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.699 -8.984 12.503 1.00 0.00 H new ATOM 398 N GLY A 31 -2.438 -9.382 9.778 1.00 0.00 N ATOM 399 CA GLY A 31 -3.695 -9.976 9.361 1.00 0.00 C ATOM 400 C GLY A 31 -3.628 -11.489 9.298 1.00 0.00 C ATOM 401 O GLY A 31 -2.912 -12.119 10.076 1.00 0.00 O ATOM 0 H GLY A 31 -1.747 -10.044 10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.482 -9.679 10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.970 -9.586 8.381 1.00 0.00 H new ATOM 405 N SER A 32 -4.378 -12.075 8.370 1.00 0.00 N ATOM 406 CA SER A 32 -4.406 -13.524 8.212 1.00 0.00 C ATOM 407 C SER A 32 -4.837 -13.909 6.800 1.00 0.00 C ATOM 408 O SER A 32 -5.275 -13.063 6.021 1.00 0.00 O ATOM 409 CB SER A 32 -5.354 -14.152 9.236 1.00 0.00 C ATOM 410 OG SER A 32 -5.101 -15.539 9.381 1.00 0.00 O ATOM 0 H SER A 32 -4.974 -11.568 7.716 1.00 0.00 H new ATOM 0 HA SER A 32 -3.398 -13.902 8.381 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.236 -13.655 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.387 -13.998 8.923 1.00 0.00 H new ATOM 0 HG SER A 32 -5.718 -15.917 10.042 1.00 0.00 H new ATOM 416 N ASN A 33 -4.709 -15.192 6.478 1.00 0.00 N ATOM 417 CA ASN A 33 -5.084 -15.690 5.159 1.00 0.00 C ATOM 418 C ASN A 33 -4.315 -14.960 4.063 1.00 0.00 C ATOM 419 O ASN A 33 -4.902 -14.470 3.098 1.00 0.00 O ATOM 420 CB ASN A 33 -6.589 -15.525 4.938 1.00 0.00 C ATOM 421 CG ASN A 33 -7.395 -16.623 5.605 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.036 -17.107 6.679 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.491 -17.021 4.970 1.00 0.00 N ATOM 0 H ASN A 33 -4.349 -15.906 7.112 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.830 -16.749 5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.907 -14.558 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.798 -15.523 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.074 -17.756 5.370 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.750 -16.592 4.082 1.00 0.00 H new ATOM 430 N PHE A 34 -2.997 -14.892 4.217 1.00 0.00 N ATOM 431 CA PHE A 34 -2.146 -14.221 3.241 1.00 0.00 C ATOM 432 C PHE A 34 -1.592 -15.218 2.227 1.00 0.00 C ATOM 433 O PHE A 34 -1.744 -16.430 2.384 1.00 0.00 O ATOM 434 CB PHE A 34 -0.995 -13.500 3.945 1.00 0.00 C ATOM 435 CG PHE A 34 -1.413 -12.229 4.628 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.215 -11.307 3.974 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.003 -11.955 5.923 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.601 -10.136 4.599 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.386 -10.786 6.553 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.185 -9.875 5.890 1.00 0.00 C ATOM 0 H PHE A 34 -2.495 -15.294 5.009 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.753 -13.488 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.553 -14.171 4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.218 -13.272 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.542 -11.506 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.377 -12.663 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.227 -9.426 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.061 -10.585 7.563 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.484 -8.960 6.380 1.00 0.00 H new ATOM 450 N LEU A 35 -0.948 -14.699 1.187 1.00 0.00 N ATOM 451 CA LEU A 35 -0.371 -15.542 0.146 1.00 0.00 C ATOM 452 C LEU A 35 1.101 -15.206 -0.072 1.00 0.00 C ATOM 453 O LEU A 35 1.543 -14.077 0.140 1.00 0.00 O ATOM 454 CB LEU A 35 -1.144 -15.372 -1.163 1.00 0.00 C ATOM 455 CG LEU A 35 -2.369 -16.271 -1.340 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.412 -15.586 -2.209 1.00 0.00 C ATOM 457 CD2 LEU A 35 -1.965 -17.609 -1.943 1.00 0.00 C ATOM 0 H LEU A 35 -0.812 -13.698 1.042 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.444 -16.580 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.466 -14.333 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.460 -15.556 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.807 -16.454 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.276 -16.240 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.723 -14.654 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.986 -15.372 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.849 -18.236 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.503 -17.445 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.254 -18.106 -1.283 1.00 0.00 H new ATOM 469 N PRO A 36 1.878 -16.209 -0.509 1.00 0.00 N ATOM 470 CA PRO A 36 3.311 -16.043 -0.769 1.00 0.00 C ATOM 471 C PRO A 36 3.582 -15.171 -1.990 1.00 0.00 C ATOM 472 O PRO A 36 4.694 -14.676 -2.176 1.00 0.00 O ATOM 473 CB PRO A 36 3.794 -17.475 -1.016 1.00 0.00 C ATOM 474 CG PRO A 36 2.586 -18.205 -1.493 1.00 0.00 C ATOM 475 CD PRO A 36 1.418 -17.580 -0.783 1.00 0.00 C ATOM 0 HA PRO A 36 3.820 -15.543 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.591 -17.501 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.192 -17.921 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.478 -18.117 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.657 -19.269 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.521 -17.586 -1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.174 -18.113 0.136 1.00 0.00 H new ATOM 483 N ASP A 37 2.560 -14.986 -2.818 1.00 0.00 N ATOM 484 CA ASP A 37 2.688 -14.172 -4.020 1.00 0.00 C ATOM 485 C ASP A 37 1.615 -13.088 -4.059 1.00 0.00 C ATOM 486 O ASP A 37 1.185 -12.664 -5.132 1.00 0.00 O ATOM 487 CB ASP A 37 2.589 -15.049 -5.269 1.00 0.00 C ATOM 488 CG ASP A 37 3.895 -15.752 -5.587 1.00 0.00 C ATOM 489 OD1 ASP A 37 4.258 -16.691 -4.848 1.00 0.00 O ATOM 490 OD2 ASP A 37 4.552 -15.364 -6.575 1.00 0.00 O ATOM 0 H ASP A 37 1.633 -15.389 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 37 3.666 -13.690 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.805 -15.792 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.294 -14.434 -6.119 1.00 0.00 H new ATOM 495 N SER A 38 1.186 -12.645 -2.882 1.00 0.00 N ATOM 496 CA SER A 38 0.159 -11.614 -2.781 1.00 0.00 C ATOM 497 C SER A 38 0.563 -10.367 -3.563 1.00 0.00 C ATOM 498 O SER A 38 1.736 -10.170 -3.878 1.00 0.00 O ATOM 499 CB SER A 38 -0.089 -11.252 -1.316 1.00 0.00 C ATOM 500 OG SER A 38 -1.049 -12.116 -0.733 1.00 0.00 O ATOM 0 H SER A 38 1.533 -12.984 -1.985 1.00 0.00 H new ATOM 0 HA SER A 38 -0.761 -12.010 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.846 -11.314 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.434 -10.220 -1.246 1.00 0.00 H new ATOM 0 HG SER A 38 -1.189 -11.865 0.204 1.00 0.00 H new ATOM 506 N LYS A 39 -0.419 -9.528 -3.874 1.00 0.00 N ATOM 507 CA LYS A 39 -0.170 -8.299 -4.618 1.00 0.00 C ATOM 508 C LYS A 39 -0.662 -7.083 -3.839 1.00 0.00 C ATOM 509 O LYS A 39 -1.668 -7.150 -3.133 1.00 0.00 O ATOM 510 CB LYS A 39 -0.858 -8.356 -5.983 1.00 0.00 C ATOM 511 CG LYS A 39 -0.340 -7.323 -6.969 1.00 0.00 C ATOM 512 CD LYS A 39 -0.433 -7.823 -8.401 1.00 0.00 C ATOM 513 CE LYS A 39 -1.880 -7.968 -8.848 1.00 0.00 C ATOM 514 NZ LYS A 39 -2.414 -9.328 -8.563 1.00 0.00 N ATOM 0 H LYS A 39 -1.396 -9.677 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 39 0.906 -8.204 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.723 -9.351 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.930 -8.211 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.913 -6.401 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.697 -7.082 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.086 -7.130 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.073 -8.785 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.493 -7.223 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.952 -7.766 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.921 -9.684 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.627 -9.969 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.068 -9.282 -7.755 1.00 0.00 H new ATOM 528 N VAL A 40 0.054 -5.970 -3.975 1.00 0.00 N ATOM 529 CA VAL A 40 -0.312 -4.738 -3.287 1.00 0.00 C ATOM 530 C VAL A 40 -0.262 -3.544 -4.233 1.00 0.00 C ATOM 531 O VAL A 40 0.814 -3.113 -4.650 1.00 0.00 O ATOM 532 CB VAL A 40 0.617 -4.468 -2.088 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.235 -3.166 -1.399 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.574 -5.631 -1.109 1.00 0.00 C ATOM 0 H VAL A 40 0.890 -5.897 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.332 -4.869 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 40 1.638 -4.370 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.902 -2.992 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.322 -2.341 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.793 -3.231 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.236 -5.424 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.445 -5.763 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.900 -6.542 -1.611 1.00 0.00 H new ATOM 544 N VAL A 41 -1.433 -3.013 -4.570 1.00 0.00 N ATOM 545 CA VAL A 41 -1.523 -1.867 -5.467 1.00 0.00 C ATOM 546 C VAL A 41 -2.042 -0.635 -4.734 1.00 0.00 C ATOM 547 O VAL A 41 -2.810 -0.746 -3.777 1.00 0.00 O ATOM 548 CB VAL A 41 -2.444 -2.163 -6.665 1.00 0.00 C ATOM 549 CG1 VAL A 41 -2.050 -3.473 -7.330 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.899 -2.197 -6.223 1.00 0.00 C ATOM 0 H VAL A 41 -2.333 -3.358 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.515 -1.671 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.329 -1.363 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.712 -3.666 -8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.021 -3.407 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.135 -4.287 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.536 -2.407 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.033 -2.976 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.172 -1.232 -5.797 1.00 0.00 H new ATOM 560 N PHE A 42 -1.618 0.540 -5.188 1.00 0.00 N ATOM 561 CA PHE A 42 -2.040 1.794 -4.576 1.00 0.00 C ATOM 562 C PHE A 42 -2.931 2.590 -5.524 1.00 0.00 C ATOM 563 O PHE A 42 -2.757 2.543 -6.742 1.00 0.00 O ATOM 564 CB PHE A 42 -0.820 2.629 -4.182 1.00 0.00 C ATOM 565 CG PHE A 42 -0.176 2.183 -2.901 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.408 0.930 -2.803 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.153 3.016 -1.794 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.000 0.517 -1.625 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.439 2.609 -0.614 1.00 0.00 C ATOM 570 CZ PHE A 42 1.017 1.357 -0.529 1.00 0.00 C ATOM 0 H PHE A 42 -0.982 0.650 -5.978 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.614 1.557 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.084 2.583 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.120 3.672 -4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.400 0.269 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.604 3.996 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.450 -0.463 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.450 3.269 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.481 1.036 0.392 1.00 0.00 H new ATOM 580 N ILE A 43 -3.886 3.320 -4.957 1.00 0.00 N ATOM 581 CA ILE A 43 -4.804 4.127 -5.751 1.00 0.00 C ATOM 582 C ILE A 43 -4.777 5.586 -5.309 1.00 0.00 C ATOM 583 O ILE A 43 -4.370 5.898 -4.190 1.00 0.00 O ATOM 584 CB ILE A 43 -6.247 3.599 -5.653 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.733 3.646 -4.202 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.331 2.181 -6.199 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.237 3.574 -4.066 1.00 0.00 C ATOM 0 H ILE A 43 -4.044 3.369 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.470 4.058 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.893 4.238 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.286 2.818 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.378 4.566 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.357 1.822 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.021 2.175 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.675 1.529 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.509 3.612 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.690 4.416 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.597 2.641 -4.500 1.00 0.00 H new ATOM 599 N GLU A 44 -5.214 6.475 -6.195 1.00 0.00 N ATOM 600 CA GLU A 44 -5.241 7.902 -5.895 1.00 0.00 C ATOM 601 C GLU A 44 -6.504 8.552 -6.453 1.00 0.00 C ATOM 602 O GLU A 44 -6.965 8.205 -7.540 1.00 0.00 O ATOM 603 CB GLU A 44 -4.002 8.590 -6.472 1.00 0.00 C ATOM 604 CG GLU A 44 -4.169 10.089 -6.656 1.00 0.00 C ATOM 605 CD GLU A 44 -4.712 10.452 -8.025 1.00 0.00 C ATOM 606 OE1 GLU A 44 -5.355 9.587 -8.656 1.00 0.00 O ATOM 607 OE2 GLU A 44 -4.493 11.600 -8.465 1.00 0.00 O ATOM 0 H GLU A 44 -5.554 6.233 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.242 8.020 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.154 8.406 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.761 8.139 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.842 10.473 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.206 10.579 -6.510 1.00 0.00 H new ATOM 614 N ARG A 45 -7.059 9.496 -5.700 1.00 0.00 N ATOM 615 CA ARG A 45 -8.269 10.193 -6.117 1.00 0.00 C ATOM 616 C ARG A 45 -7.941 11.593 -6.628 1.00 0.00 C ATOM 617 O ARG A 45 -7.348 12.402 -5.916 1.00 0.00 O ATOM 618 CB ARG A 45 -9.259 10.282 -4.954 1.00 0.00 C ATOM 619 CG ARG A 45 -9.878 8.946 -4.578 1.00 0.00 C ATOM 620 CD ARG A 45 -8.999 8.180 -3.601 1.00 0.00 C ATOM 621 NE ARG A 45 -9.228 8.593 -2.219 1.00 0.00 N ATOM 622 CZ ARG A 45 -8.504 9.518 -1.598 1.00 0.00 C ATOM 623 NH1 ARG A 45 -7.510 10.123 -2.233 1.00 0.00 N ATOM 624 NH2 ARG A 45 -8.775 9.839 -0.339 1.00 0.00 N ATOM 0 H ARG A 45 -6.690 9.796 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.723 9.625 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.748 10.694 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.054 10.980 -5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.860 9.111 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.031 8.349 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.195 7.112 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.951 8.336 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.986 8.147 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.299 9.879 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.956 10.833 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.539 9.376 0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.219 10.549 0.137 1.00 0.00 H new ATOM 638 N GLY A 46 -8.332 11.871 -7.869 1.00 0.00 N ATOM 639 CA GLY A 46 -8.070 13.173 -8.454 1.00 0.00 C ATOM 640 C GLY A 46 -9.124 14.198 -8.084 1.00 0.00 C ATOM 641 O GLY A 46 -10.202 13.862 -7.595 1.00 0.00 O ATOM 0 H GLY A 46 -8.825 11.218 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.093 13.526 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.025 13.078 -9.539 1.00 0.00 H new ATOM 645 N PRO A 47 -8.813 15.482 -8.316 1.00 0.00 N ATOM 646 CA PRO A 47 -9.728 16.585 -8.010 1.00 0.00 C ATOM 647 C PRO A 47 -10.939 16.608 -8.936 1.00 0.00 C ATOM 648 O PRO A 47 -11.814 17.465 -8.808 1.00 0.00 O ATOM 649 CB PRO A 47 -8.866 17.832 -8.226 1.00 0.00 C ATOM 650 CG PRO A 47 -7.818 17.404 -9.194 1.00 0.00 C ATOM 651 CD PRO A 47 -7.545 15.955 -8.897 1.00 0.00 C ATOM 0 HA PRO A 47 -10.141 16.504 -7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.457 18.658 -8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.425 18.175 -7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.159 17.534 -10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.914 18.002 -9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.285 15.402 -9.799 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.715 15.837 -8.201 1.00 0.00 H new ATOM 659 N ASP A 48 -10.984 15.662 -9.867 1.00 0.00 N ATOM 660 CA ASP A 48 -12.089 15.573 -10.814 1.00 0.00 C ATOM 661 C ASP A 48 -13.179 14.642 -10.292 1.00 0.00 C ATOM 662 O ASP A 48 -14.366 14.866 -10.525 1.00 0.00 O ATOM 663 CB ASP A 48 -11.587 15.080 -12.172 1.00 0.00 C ATOM 664 CG ASP A 48 -10.240 15.670 -12.540 1.00 0.00 C ATOM 665 OD1 ASP A 48 -9.221 15.222 -11.973 1.00 0.00 O ATOM 666 OD2 ASP A 48 -10.204 16.578 -13.396 1.00 0.00 O ATOM 0 H ASP A 48 -10.268 14.946 -9.986 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.514 16.570 -10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.512 13.993 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.316 15.338 -12.941 1.00 0.00 H new ATOM 671 N GLY A 49 -12.766 13.594 -9.585 1.00 0.00 N ATOM 672 CA GLY A 49 -13.718 12.643 -9.043 1.00 0.00 C ATOM 673 C GLY A 49 -13.337 11.206 -9.339 1.00 0.00 C ATOM 674 O GLY A 49 -13.670 10.297 -8.578 1.00 0.00 O ATOM 0 H GLY A 49 -11.789 13.387 -9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.790 12.781 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.705 12.846 -9.457 1.00 0.00 H new ATOM 678 N LYS A 50 -12.638 10.999 -10.450 1.00 0.00 N ATOM 679 CA LYS A 50 -12.210 9.662 -10.847 1.00 0.00 C ATOM 680 C LYS A 50 -10.783 9.387 -10.384 1.00 0.00 C ATOM 681 O LYS A 50 -9.917 10.260 -10.456 1.00 0.00 O ATOM 682 CB LYS A 50 -12.304 9.505 -12.366 1.00 0.00 C ATOM 683 CG LYS A 50 -13.717 9.642 -12.906 1.00 0.00 C ATOM 684 CD LYS A 50 -13.918 8.811 -14.162 1.00 0.00 C ATOM 685 CE LYS A 50 -15.320 8.983 -14.726 1.00 0.00 C ATOM 686 NZ LYS A 50 -15.509 10.326 -15.341 1.00 0.00 N ATOM 0 H LYS A 50 -12.356 11.740 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.873 8.939 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.669 10.253 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.910 8.528 -12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.431 9.329 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.924 10.690 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.184 9.102 -14.913 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.742 7.759 -13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.508 8.212 -15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.052 8.842 -13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.440 10.369 -15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.455 11.057 -14.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.764 10.492 -16.048 1.00 0.00 H new ATOM 700 N LEU A 51 -10.545 8.170 -9.910 1.00 0.00 N ATOM 701 CA LEU A 51 -9.221 7.779 -9.436 1.00 0.00 C ATOM 702 C LEU A 51 -8.517 6.893 -10.459 1.00 0.00 C ATOM 703 O LEU A 51 -9.111 5.962 -11.001 1.00 0.00 O ATOM 704 CB LEU A 51 -9.332 7.045 -8.099 1.00 0.00 C ATOM 705 CG LEU A 51 -10.425 5.979 -8.007 1.00 0.00 C ATOM 706 CD1 LEU A 51 -10.091 4.794 -8.900 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.610 5.528 -6.566 1.00 0.00 C ATOM 0 H LEU A 51 -11.251 7.436 -9.843 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.630 8.684 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.373 6.573 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.505 7.783 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.362 6.416 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.880 4.046 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.010 5.129 -9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.143 4.357 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.391 4.770 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.675 5.109 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.896 6.382 -5.951 1.00 0.00 H new ATOM 719 N GLN A 52 -7.246 7.189 -10.715 1.00 0.00 N ATOM 720 CA GLN A 52 -6.461 6.417 -11.671 1.00 0.00 C ATOM 721 C GLN A 52 -4.976 6.471 -11.324 1.00 0.00 C ATOM 722 O GLN A 52 -4.313 7.484 -11.548 1.00 0.00 O ATOM 723 CB GLN A 52 -6.685 6.944 -13.089 1.00 0.00 C ATOM 724 CG GLN A 52 -6.707 8.461 -13.179 1.00 0.00 C ATOM 725 CD GLN A 52 -6.614 8.963 -14.606 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.237 8.410 -15.513 1.00 0.00 O ATOM 727 NE2 GLN A 52 -5.834 10.018 -14.813 1.00 0.00 N ATOM 0 H GLN A 52 -6.739 7.957 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.790 5.379 -11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.897 6.561 -13.738 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.629 6.552 -13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.625 8.835 -12.726 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.878 8.867 -12.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.336 10.445 -14.032 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.733 10.401 -15.753 1.00 0.00 H new ATOM 736 N TRP A 53 -4.462 5.375 -10.778 1.00 0.00 N ATOM 737 CA TRP A 53 -3.055 5.298 -10.400 1.00 0.00 C ATOM 738 C TRP A 53 -2.553 3.860 -10.466 1.00 0.00 C ATOM 739 O TRP A 53 -3.013 2.998 -9.717 1.00 0.00 O ATOM 740 CB TRP A 53 -2.853 5.859 -8.992 1.00 0.00 C ATOM 741 CG TRP A 53 -1.426 6.209 -8.692 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.484 6.641 -9.581 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.781 6.154 -7.415 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.708 6.859 -8.933 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.552 6.568 -7.604 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.200 5.799 -6.130 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.466 6.633 -6.556 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.292 5.864 -5.091 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.029 6.279 -5.308 1.00 0.00 C ATOM 0 H TRP A 53 -4.997 4.528 -10.587 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.480 5.896 -11.107 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.471 6.748 -8.871 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.201 5.127 -8.263 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.651 6.789 -10.638 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.570 7.185 -9.371 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.216 5.479 -5.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.485 6.952 -6.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.605 5.590 -4.094 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.715 6.320 -4.475 1.00 0.00 H new ATOM 760 N GLU A 54 -1.606 3.608 -11.365 1.00 0.00 N ATOM 761 CA GLU A 54 -1.042 2.273 -11.526 1.00 0.00 C ATOM 762 C GLU A 54 0.378 2.212 -10.971 1.00 0.00 C ATOM 763 O GLU A 54 1.325 2.664 -11.612 1.00 0.00 O ATOM 764 CB GLU A 54 -1.042 1.871 -13.003 1.00 0.00 C ATOM 765 CG GLU A 54 -0.328 0.558 -13.275 1.00 0.00 C ATOM 766 CD GLU A 54 -0.166 0.279 -14.757 1.00 0.00 C ATOM 767 OE1 GLU A 54 0.333 1.170 -15.477 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.537 -0.829 -15.197 1.00 0.00 O ATOM 0 H GLU A 54 -1.214 4.310 -11.992 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.663 1.574 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.072 1.793 -13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.568 2.661 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.654 0.578 -12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.886 -0.257 -12.814 1.00 0.00 H new ATOM 775 N GLU A 55 0.515 1.649 -9.775 1.00 0.00 N ATOM 776 CA GLU A 55 1.819 1.529 -9.132 1.00 0.00 C ATOM 777 C GLU A 55 1.938 0.203 -8.385 1.00 0.00 C ATOM 778 O GLU A 55 1.054 -0.167 -7.614 1.00 0.00 O ATOM 779 CB GLU A 55 2.045 2.694 -8.166 1.00 0.00 C ATOM 780 CG GLU A 55 2.686 3.908 -8.816 1.00 0.00 C ATOM 781 CD GLU A 55 4.058 3.608 -9.387 1.00 0.00 C ATOM 782 OE1 GLU A 55 4.808 2.836 -8.754 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.382 4.146 -10.466 1.00 0.00 O ATOM 0 H GLU A 55 -0.260 1.269 -9.232 1.00 0.00 H new ATOM 0 HA GLU A 55 2.583 1.558 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.088 2.987 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.677 2.356 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.038 4.274 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.770 4.708 -8.080 1.00 0.00 H new ATOM 790 N GLU A 56 3.037 -0.506 -8.623 1.00 0.00 N ATOM 791 CA GLU A 56 3.270 -1.791 -7.973 1.00 0.00 C ATOM 792 C GLU A 56 4.342 -1.668 -6.894 1.00 0.00 C ATOM 793 O GLU A 56 5.288 -0.893 -7.029 1.00 0.00 O ATOM 794 CB GLU A 56 3.689 -2.840 -9.006 1.00 0.00 C ATOM 795 CG GLU A 56 3.884 -4.228 -8.418 1.00 0.00 C ATOM 796 CD GLU A 56 3.926 -5.310 -9.479 1.00 0.00 C ATOM 797 OE1 GLU A 56 2.853 -5.659 -10.013 1.00 0.00 O ATOM 798 OE2 GLU A 56 5.032 -5.807 -9.775 1.00 0.00 O ATOM 0 H GLU A 56 3.778 -0.213 -9.259 1.00 0.00 H new ATOM 0 HA GLU A 56 2.339 -2.106 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.932 -2.889 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.618 -2.521 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.812 -4.249 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.074 -4.440 -7.720 1.00 0.00 H new ATOM 805 N ALA A 57 4.184 -2.437 -5.822 1.00 0.00 N ATOM 806 CA ALA A 57 5.138 -2.416 -4.720 1.00 0.00 C ATOM 807 C ALA A 57 5.830 -3.767 -4.566 1.00 0.00 C ATOM 808 O ALA A 57 5.236 -4.814 -4.827 1.00 0.00 O ATOM 809 CB ALA A 57 4.440 -2.029 -3.425 1.00 0.00 C ATOM 0 H ALA A 57 3.405 -3.082 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 57 5.900 -1.670 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.164 -2.017 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.998 -1.038 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.657 -2.754 -3.203 1.00 0.00 H new ATOM 815 N THR A 58 7.089 -3.737 -4.142 1.00 0.00 N ATOM 816 CA THR A 58 7.862 -4.958 -3.956 1.00 0.00 C ATOM 817 C THR A 58 7.545 -5.611 -2.616 1.00 0.00 C ATOM 818 O THR A 58 7.714 -5.000 -1.560 1.00 0.00 O ATOM 819 CB THR A 58 9.376 -4.683 -4.034 1.00 0.00 C ATOM 820 OG1 THR A 58 9.674 -3.917 -5.207 1.00 0.00 O ATOM 821 CG2 THR A 58 10.163 -5.984 -4.058 1.00 0.00 C ATOM 0 H THR A 58 7.595 -2.880 -3.921 1.00 0.00 H new ATOM 0 HA THR A 58 7.581 -5.635 -4.763 1.00 0.00 H new ATOM 0 HB THR A 58 9.667 -4.119 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.638 -3.745 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.229 -5.763 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.956 -6.551 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.869 -6.571 -4.928 1.00 0.00 H new ATOM 829 N VAL A 59 7.083 -6.857 -2.664 1.00 0.00 N ATOM 830 CA VAL A 59 6.744 -7.593 -1.452 1.00 0.00 C ATOM 831 C VAL A 59 7.793 -8.656 -1.143 1.00 0.00 C ATOM 832 O VAL A 59 8.207 -9.408 -2.023 1.00 0.00 O ATOM 833 CB VAL A 59 5.365 -8.269 -1.574 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.050 -9.070 -0.320 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.285 -7.231 -1.839 1.00 0.00 C ATOM 0 H VAL A 59 6.935 -7.377 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 59 6.715 -6.868 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 59 5.390 -8.957 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.072 -9.540 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.809 -9.839 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.042 -8.405 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.317 -7.726 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.257 -6.516 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.505 -6.706 -2.768 1.00 0.00 H new ATOM 845 N ASN A 60 8.217 -8.711 0.115 1.00 0.00 N ATOM 846 CA ASN A 60 9.218 -9.682 0.542 1.00 0.00 C ATOM 847 C ASN A 60 8.562 -11.000 0.943 1.00 0.00 C ATOM 848 O ASN A 60 7.721 -11.039 1.840 1.00 0.00 O ATOM 849 CB ASN A 60 10.031 -9.127 1.714 1.00 0.00 C ATOM 850 CG ASN A 60 11.295 -9.924 1.970 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.268 -11.154 2.015 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.411 -9.225 2.140 1.00 0.00 N ATOM 0 H ASN A 60 7.883 -8.095 0.856 1.00 0.00 H new ATOM 0 HA ASN A 60 9.886 -9.870 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.294 -8.089 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.415 -9.129 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.293 -9.707 2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.387 -8.206 2.094 1.00 0.00 H new ATOM 859 N ARG A 61 8.954 -12.078 0.271 1.00 0.00 N ATOM 860 CA ARG A 61 8.404 -13.398 0.556 1.00 0.00 C ATOM 861 C ARG A 61 9.035 -13.990 1.813 1.00 0.00 C ATOM 862 O ARG A 61 8.341 -14.537 2.671 1.00 0.00 O ATOM 863 CB ARG A 61 8.629 -14.335 -0.632 1.00 0.00 C ATOM 864 CG ARG A 61 7.490 -14.329 -1.637 1.00 0.00 C ATOM 865 CD ARG A 61 7.646 -13.204 -2.649 1.00 0.00 C ATOM 866 NE ARG A 61 8.433 -13.616 -3.808 1.00 0.00 N ATOM 867 CZ ARG A 61 9.740 -13.409 -3.920 1.00 0.00 C ATOM 868 NH1 ARG A 61 10.403 -12.799 -2.948 1.00 0.00 N ATOM 869 NH2 ARG A 61 10.386 -13.813 -5.006 1.00 0.00 N ATOM 0 H ARG A 61 9.650 -12.063 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 61 7.333 -13.289 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.551 -14.050 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.770 -15.350 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.457 -15.286 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.541 -14.219 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.661 -12.874 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.125 -12.350 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 61 7.952 -14.089 -4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.909 -12.487 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.407 -12.641 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.879 -14.283 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.390 -13.654 -5.091 1.00 0.00 H new ATOM 883 N LEU A 62 10.355 -13.878 1.914 1.00 0.00 N ATOM 884 CA LEU A 62 11.081 -14.403 3.065 1.00 0.00 C ATOM 885 C LEU A 62 10.560 -13.792 4.362 1.00 0.00 C ATOM 886 O LEU A 62 10.301 -14.503 5.333 1.00 0.00 O ATOM 887 CB LEU A 62 12.578 -14.121 2.921 1.00 0.00 C ATOM 888 CG LEU A 62 13.384 -15.161 2.141 1.00 0.00 C ATOM 889 CD1 LEU A 62 13.297 -14.893 0.647 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.835 -15.164 2.600 1.00 0.00 C ATOM 0 H LEU A 62 10.944 -13.429 1.213 1.00 0.00 H new ATOM 0 HA LEU A 62 10.922 -15.481 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.700 -13.154 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.008 -14.030 3.918 1.00 0.00 H new ATOM 0 HG LEU A 62 12.959 -16.145 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.876 -15.643 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.256 -14.942 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.696 -13.902 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.394 -15.910 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.272 -14.179 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.880 -15.405 3.662 1.00 0.00 H new ATOM 902 N GLN A 63 10.408 -12.472 4.369 1.00 0.00 N ATOM 903 CA GLN A 63 9.916 -11.766 5.547 1.00 0.00 C ATOM 904 C GLN A 63 8.428 -12.027 5.755 1.00 0.00 C ATOM 905 O GLN A 63 7.993 -12.349 6.861 1.00 0.00 O ATOM 906 CB GLN A 63 10.169 -10.264 5.410 1.00 0.00 C ATOM 907 CG GLN A 63 11.641 -9.888 5.456 1.00 0.00 C ATOM 908 CD GLN A 63 12.251 -10.086 6.830 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.780 -11.154 7.139 1.00 0.00 O ATOM 910 NE2 GLN A 63 12.181 -9.055 7.663 1.00 0.00 N ATOM 0 H GLN A 63 10.618 -11.870 3.573 1.00 0.00 H new ATOM 0 HA GLN A 63 10.457 -12.140 6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.743 -9.917 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.644 -9.741 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.188 -10.489 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.755 -8.846 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.733 -8.188 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.575 -9.129 8.601 1.00 0.00 H new ATOM 919 N SER A 64 7.652 -11.885 4.686 1.00 0.00 N ATOM 920 CA SER A 64 6.211 -12.101 4.752 1.00 0.00 C ATOM 921 C SER A 64 5.896 -13.522 5.210 1.00 0.00 C ATOM 922 O SER A 64 6.562 -14.476 4.811 1.00 0.00 O ATOM 923 CB SER A 64 5.571 -11.838 3.388 1.00 0.00 C ATOM 924 OG SER A 64 5.976 -12.810 2.439 1.00 0.00 O ATOM 0 H SER A 64 7.997 -11.621 3.763 1.00 0.00 H new ATOM 0 HA SER A 64 5.796 -11.403 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.485 -11.849 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.850 -10.844 3.037 1.00 0.00 H new ATOM 0 HG SER A 64 6.707 -13.346 2.811 1.00 0.00 H new ATOM 930 N ASN A 65 4.874 -13.653 6.050 1.00 0.00 N ATOM 931 CA ASN A 65 4.470 -14.957 6.563 1.00 0.00 C ATOM 932 C ASN A 65 2.968 -15.165 6.395 1.00 0.00 C ATOM 933 O ASN A 65 2.244 -14.249 6.007 1.00 0.00 O ATOM 934 CB ASN A 65 4.852 -15.089 8.039 1.00 0.00 C ATOM 935 CG ASN A 65 4.655 -16.498 8.564 1.00 0.00 C ATOM 936 OD1 ASN A 65 5.368 -17.423 8.173 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.684 -16.667 9.454 1.00 0.00 N ATOM 0 H ASN A 65 4.311 -12.873 6.389 1.00 0.00 H new ATOM 0 HA ASN A 65 4.992 -15.723 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.894 -14.798 8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.252 -14.397 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.504 -17.593 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.118 -15.871 9.749 1.00 0.00 H new ATOM 944 N GLU A 66 2.507 -16.376 6.691 1.00 0.00 N ATOM 945 CA GLU A 66 1.091 -16.704 6.573 1.00 0.00 C ATOM 946 C GLU A 66 0.225 -15.612 7.195 1.00 0.00 C ATOM 947 O GLU A 66 -0.839 -15.277 6.676 1.00 0.00 O ATOM 948 CB GLU A 66 0.798 -18.048 7.244 1.00 0.00 C ATOM 949 CG GLU A 66 -0.376 -18.792 6.630 1.00 0.00 C ATOM 950 CD GLU A 66 -0.321 -20.285 6.890 1.00 0.00 C ATOM 951 OE1 GLU A 66 -0.597 -20.699 8.035 1.00 0.00 O ATOM 952 OE2 GLU A 66 -0.002 -21.039 5.947 1.00 0.00 O ATOM 0 H GLU A 66 3.093 -17.146 7.014 1.00 0.00 H new ATOM 0 HA GLU A 66 0.848 -16.775 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.687 -18.676 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.598 -17.880 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.306 -18.391 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.391 -18.615 5.555 1.00 0.00 H new ATOM 959 N VAL A 67 0.690 -15.061 8.311 1.00 0.00 N ATOM 960 CA VAL A 67 -0.040 -14.007 9.005 1.00 0.00 C ATOM 961 C VAL A 67 0.780 -12.723 9.072 1.00 0.00 C ATOM 962 O VAL A 67 0.672 -11.953 10.027 1.00 0.00 O ATOM 963 CB VAL A 67 -0.420 -14.435 10.435 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.386 -15.610 10.402 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.826 -14.781 11.236 1.00 0.00 C ATOM 0 H VAL A 67 1.569 -15.327 8.754 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.950 -13.824 8.434 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.919 -13.599 10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.643 -15.898 11.421 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.291 -15.322 9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.917 -16.453 9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.539 -15.081 12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.355 -15.601 10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.478 -13.909 11.289 1.00 0.00 H new ATOM 975 N THR A 68 1.601 -12.498 8.051 1.00 0.00 N ATOM 976 CA THR A 68 2.441 -11.308 7.993 1.00 0.00 C ATOM 977 C THR A 68 2.802 -10.959 6.554 1.00 0.00 C ATOM 978 O THR A 68 2.985 -11.844 5.717 1.00 0.00 O ATOM 979 CB THR A 68 3.736 -11.495 8.805 1.00 0.00 C ATOM 980 OG1 THR A 68 3.424 -11.688 10.189 1.00 0.00 O ATOM 981 CG2 THR A 68 4.651 -10.289 8.649 1.00 0.00 C ATOM 0 H THR A 68 1.702 -13.125 7.253 1.00 0.00 H new ATOM 0 HA THR A 68 1.863 -10.492 8.427 1.00 0.00 H new ATOM 0 HB THR A 68 4.253 -12.376 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.452 -11.655 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.559 -10.444 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.911 -10.163 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.139 -9.395 9.006 1.00 0.00 H new ATOM 989 N LEU A 69 2.902 -9.665 6.271 1.00 0.00 N ATOM 990 CA LEU A 69 3.243 -9.198 4.932 1.00 0.00 C ATOM 991 C LEU A 69 4.204 -8.016 4.995 1.00 0.00 C ATOM 992 O LEU A 69 3.815 -6.904 5.354 1.00 0.00 O ATOM 993 CB LEU A 69 1.976 -8.801 4.172 1.00 0.00 C ATOM 994 CG LEU A 69 1.290 -9.916 3.381 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.077 -9.462 2.895 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.158 -10.350 2.209 1.00 0.00 C ATOM 0 H LEU A 69 2.752 -8.920 6.951 1.00 0.00 H new ATOM 0 HA LEU A 69 3.736 -10.014 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.259 -8.396 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.228 -7.995 3.482 1.00 0.00 H new ATOM 0 HG LEU A 69 1.152 -10.772 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.550 -10.268 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.699 -9.202 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.037 -8.590 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.654 -11.144 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.328 -9.500 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.114 -10.717 2.581 1.00 0.00 H new ATOM 1008 N THR A 70 5.461 -8.262 4.641 1.00 0.00 N ATOM 1009 CA THR A 70 6.478 -7.218 4.656 1.00 0.00 C ATOM 1010 C THR A 70 6.820 -6.763 3.242 1.00 0.00 C ATOM 1011 O THR A 70 7.268 -7.556 2.414 1.00 0.00 O ATOM 1012 CB THR A 70 7.765 -7.698 5.353 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.471 -8.118 6.690 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.809 -6.591 5.383 1.00 0.00 C ATOM 0 H THR A 70 5.800 -9.176 4.340 1.00 0.00 H new ATOM 0 HA THR A 70 6.062 -6.379 5.214 1.00 0.00 H new ATOM 0 HB THR A 70 8.166 -8.540 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.308 -8.271 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.709 -6.953 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.052 -6.293 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.414 -5.733 5.927 1.00 0.00 H new ATOM 1022 N LEU A 71 6.605 -5.480 2.971 1.00 0.00 N ATOM 1023 CA LEU A 71 6.891 -4.918 1.656 1.00 0.00 C ATOM 1024 C LEU A 71 7.424 -3.494 1.776 1.00 0.00 C ATOM 1025 O LEU A 71 7.413 -2.904 2.857 1.00 0.00 O ATOM 1026 CB LEU A 71 5.631 -4.931 0.789 1.00 0.00 C ATOM 1027 CG LEU A 71 4.602 -3.838 1.083 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.837 -3.471 -0.179 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.645 -4.288 2.177 1.00 0.00 C ATOM 0 H LEU A 71 6.234 -4.810 3.644 1.00 0.00 H new ATOM 0 HA LEU A 71 7.656 -5.534 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.932 -4.847 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.145 -5.900 0.904 1.00 0.00 H new ATOM 0 HG LEU A 71 5.131 -2.952 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.110 -2.692 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.534 -3.106 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.318 -4.351 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.920 -3.498 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.122 -5.189 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.206 -4.500 3.087 1.00 0.00 H new ATOM 1041 N THR A 72 7.889 -2.945 0.658 1.00 0.00 N ATOM 1042 CA THR A 72 8.426 -1.590 0.638 1.00 0.00 C ATOM 1043 C THR A 72 7.427 -0.612 0.030 1.00 0.00 C ATOM 1044 O THR A 72 6.892 -0.849 -1.053 1.00 0.00 O ATOM 1045 CB THR A 72 9.744 -1.519 -0.155 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.698 -2.433 0.397 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.314 -0.109 -0.133 1.00 0.00 C ATOM 0 H THR A 72 7.904 -3.418 -0.245 1.00 0.00 H new ATOM 0 HA THR A 72 8.619 -1.312 1.674 1.00 0.00 H new ATOM 0 HB THR A 72 9.535 -1.793 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.533 -2.383 -0.114 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.245 -0.084 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.598 0.580 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.508 0.189 0.897 1.00 0.00 H new ATOM 1055 N VAL A 73 7.180 0.489 0.733 1.00 0.00 N ATOM 1056 CA VAL A 73 6.246 1.504 0.261 1.00 0.00 C ATOM 1057 C VAL A 73 6.701 2.093 -1.069 1.00 0.00 C ATOM 1058 O VAL A 73 7.848 2.509 -1.233 1.00 0.00 O ATOM 1059 CB VAL A 73 6.088 2.642 1.287 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.120 3.696 0.771 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.626 2.091 2.627 1.00 0.00 C ATOM 0 H VAL A 73 7.614 0.701 1.632 1.00 0.00 H new ATOM 0 HA VAL A 73 5.284 1.010 0.126 1.00 0.00 H new ATOM 0 HB VAL A 73 7.059 3.115 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.021 4.492 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.499 4.112 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.145 3.240 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.520 2.909 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.666 1.591 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.361 1.378 3.000 1.00 0.00 H new ATOM 1071 N PRO A 74 5.781 2.131 -2.045 1.00 0.00 N ATOM 1072 CA PRO A 74 6.064 2.669 -3.379 1.00 0.00 C ATOM 1073 C PRO A 74 6.255 4.182 -3.366 1.00 0.00 C ATOM 1074 O PRO A 74 6.078 4.829 -2.335 1.00 0.00 O ATOM 1075 CB PRO A 74 4.816 2.294 -4.184 1.00 0.00 C ATOM 1076 CG PRO A 74 3.733 2.170 -3.168 1.00 0.00 C ATOM 1077 CD PRO A 74 4.393 1.653 -1.920 1.00 0.00 C ATOM 0 HA PRO A 74 6.991 2.270 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.578 3.058 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.960 1.359 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.256 3.133 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.954 1.488 -3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.914 2.041 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.346 0.566 -1.862 1.00 0.00 H new ATOM 1085 N GLU A 75 6.617 4.738 -4.518 1.00 0.00 N ATOM 1086 CA GLU A 75 6.832 6.175 -4.637 1.00 0.00 C ATOM 1087 C GLU A 75 5.594 6.866 -5.201 1.00 0.00 C ATOM 1088 O GLU A 75 4.854 6.286 -5.996 1.00 0.00 O ATOM 1089 CB GLU A 75 8.040 6.459 -5.532 1.00 0.00 C ATOM 1090 CG GLU A 75 9.375 6.192 -4.857 1.00 0.00 C ATOM 1091 CD GLU A 75 9.679 4.712 -4.730 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.720 4.023 -5.771 1.00 0.00 O ATOM 1093 OE2 GLU A 75 9.875 4.242 -3.590 1.00 0.00 O ATOM 0 H GLU A 75 6.767 4.216 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 75 7.025 6.571 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.968 5.846 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.007 7.500 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.169 6.675 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.374 6.645 -3.866 1.00 0.00 H new ATOM 1100 N TYR A 76 5.375 8.107 -4.783 1.00 0.00 N ATOM 1101 CA TYR A 76 4.225 8.877 -5.243 1.00 0.00 C ATOM 1102 C TYR A 76 4.549 9.620 -6.536 1.00 0.00 C ATOM 1103 O TYR A 76 5.713 9.760 -6.910 1.00 0.00 O ATOM 1104 CB TYR A 76 3.787 9.871 -4.166 1.00 0.00 C ATOM 1105 CG TYR A 76 2.468 10.547 -4.467 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.373 9.812 -4.904 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.316 11.919 -4.314 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.165 10.424 -5.181 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.113 12.540 -4.587 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.041 11.788 -5.020 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.160 12.403 -5.294 1.00 0.00 O ATOM 0 H TYR A 76 5.978 8.602 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 76 3.409 8.182 -5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.709 9.349 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.558 10.633 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.467 8.743 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.154 12.511 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.676 9.838 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.012 13.608 -4.462 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.080 13.366 -5.128 1.00 0.00 H new ATOM 1121 N SER A 77 3.508 10.094 -7.214 1.00 0.00 N ATOM 1122 CA SER A 77 3.680 10.820 -8.467 1.00 0.00 C ATOM 1123 C SER A 77 4.030 12.282 -8.205 1.00 0.00 C ATOM 1124 O SER A 77 4.991 12.811 -8.762 1.00 0.00 O ATOM 1125 CB SER A 77 2.406 10.733 -9.310 1.00 0.00 C ATOM 1126 OG SER A 77 1.366 11.512 -8.745 1.00 0.00 O ATOM 0 H SER A 77 2.538 9.988 -6.917 1.00 0.00 H new ATOM 0 HA SER A 77 4.503 10.360 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.613 11.077 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.086 9.694 -9.385 1.00 0.00 H new ATOM 0 HG SER A 77 0.564 11.441 -9.303 1.00 0.00 H new ATOM 1132 N ASN A 78 3.243 12.928 -7.351 1.00 0.00 N ATOM 1133 CA ASN A 78 3.468 14.329 -7.014 1.00 0.00 C ATOM 1134 C ASN A 78 4.119 14.460 -5.640 1.00 0.00 C ATOM 1135 O ASN A 78 3.437 14.647 -4.633 1.00 0.00 O ATOM 1136 CB ASN A 78 2.147 15.101 -7.040 1.00 0.00 C ATOM 1137 CG ASN A 78 1.847 15.686 -8.406 1.00 0.00 C ATOM 1138 OD1 ASN A 78 2.558 15.424 -9.376 1.00 0.00 O ATOM 1139 ND2 ASN A 78 0.789 16.485 -8.488 1.00 0.00 N ATOM 0 H ASN A 78 2.444 12.504 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 78 4.143 14.752 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.335 14.436 -6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.184 15.904 -6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.538 16.909 -9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.228 16.675 -7.658 1.00 0.00 H new ATOM 1146 N LYS A 79 5.444 14.361 -5.608 1.00 0.00 N ATOM 1147 CA LYS A 79 6.190 14.470 -4.360 1.00 0.00 C ATOM 1148 C LYS A 79 6.502 15.928 -4.038 1.00 0.00 C ATOM 1149 O LYS A 79 6.319 16.377 -2.907 1.00 0.00 O ATOM 1150 CB LYS A 79 7.489 13.666 -4.446 1.00 0.00 C ATOM 1151 CG LYS A 79 7.273 12.189 -4.726 1.00 0.00 C ATOM 1152 CD LYS A 79 8.570 11.405 -4.615 1.00 0.00 C ATOM 1153 CE LYS A 79 8.566 10.189 -5.529 1.00 0.00 C ATOM 1154 NZ LYS A 79 9.944 9.695 -5.800 1.00 0.00 N ATOM 0 H LYS A 79 6.023 14.205 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 79 5.571 14.064 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.116 14.088 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.036 13.773 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.543 11.788 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.856 12.064 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.410 12.051 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.716 11.086 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.978 9.393 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.080 10.444 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.899 8.866 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.498 10.446 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.399 9.428 -4.904 1.00 0.00 H new ATOM 1168 N ARG A 80 6.973 16.663 -5.041 1.00 0.00 N ATOM 1169 CA ARG A 80 7.310 18.070 -4.864 1.00 0.00 C ATOM 1170 C ARG A 80 6.338 18.745 -3.900 1.00 0.00 C ATOM 1171 O ARG A 80 6.735 19.576 -3.082 1.00 0.00 O ATOM 1172 CB ARG A 80 7.293 18.794 -6.212 1.00 0.00 C ATOM 1173 CG ARG A 80 5.941 18.756 -6.906 1.00 0.00 C ATOM 1174 CD ARG A 80 6.023 19.322 -8.315 1.00 0.00 C ATOM 1175 NE ARG A 80 6.511 18.334 -9.274 1.00 0.00 N ATOM 1176 CZ ARG A 80 6.837 18.626 -10.528 1.00 0.00 C ATOM 1177 NH1 ARG A 80 6.729 19.871 -10.972 1.00 0.00 N ATOM 1178 NH2 ARG A 80 7.274 17.673 -11.341 1.00 0.00 N ATOM 0 H ARG A 80 7.130 16.307 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 80 8.313 18.127 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.585 19.833 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.040 18.345 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.580 17.728 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.216 19.326 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.037 19.671 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.684 20.189 -8.320 1.00 0.00 H new ATOM 0 HE ARG A 80 6.607 17.367 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.395 20.607 -10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.980 20.092 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.360 16.714 -11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.524 17.899 -12.304 1.00 0.00 H new ATOM 1192 N VAL A 81 5.063 18.383 -4.002 1.00 0.00 N ATOM 1193 CA VAL A 81 4.035 18.952 -3.140 1.00 0.00 C ATOM 1194 C VAL A 81 4.565 19.178 -1.728 1.00 0.00 C ATOM 1195 O VAL A 81 5.153 18.281 -1.124 1.00 0.00 O ATOM 1196 CB VAL A 81 2.793 18.043 -3.071 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.134 17.936 -4.437 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.170 16.667 -2.542 1.00 0.00 C ATOM 0 H VAL A 81 4.718 17.698 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 81 3.751 19.910 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 81 2.075 18.488 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.259 17.290 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.829 18.927 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.842 17.514 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.281 16.037 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.906 16.212 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.593 16.765 -1.542 1.00 0.00 H new ATOM 1208 N SER A 82 4.352 20.382 -1.208 1.00 0.00 N ATOM 1209 CA SER A 82 4.811 20.728 0.132 1.00 0.00 C ATOM 1210 C SER A 82 3.915 20.096 1.193 1.00 0.00 C ATOM 1211 O SER A 82 4.340 19.873 2.327 1.00 0.00 O ATOM 1212 CB SER A 82 4.838 22.247 0.309 1.00 0.00 C ATOM 1213 OG SER A 82 3.543 22.750 0.590 1.00 0.00 O ATOM 0 H SER A 82 3.864 21.135 -1.694 1.00 0.00 H new ATOM 0 HA SER A 82 5.821 20.338 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.518 22.510 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.225 22.715 -0.596 1.00 0.00 H new ATOM 0 HG SER A 82 3.587 23.723 0.701 1.00 0.00 H new ATOM 1219 N ARG A 83 2.673 19.811 0.816 1.00 0.00 N ATOM 1220 CA ARG A 83 1.715 19.206 1.734 1.00 0.00 C ATOM 1221 C ARG A 83 1.571 17.712 1.462 1.00 0.00 C ATOM 1222 O ARG A 83 1.843 17.226 0.364 1.00 0.00 O ATOM 1223 CB ARG A 83 0.354 19.893 1.610 1.00 0.00 C ATOM 1224 CG ARG A 83 0.202 21.111 2.507 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.097 21.850 2.225 1.00 0.00 C ATOM 1226 NE ARG A 83 -0.979 22.747 1.079 1.00 0.00 N ATOM 1227 CZ ARG A 83 -0.433 23.956 1.145 1.00 0.00 C ATOM 1228 NH1 ARG A 83 0.043 24.410 2.296 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -0.361 24.714 0.058 1.00 0.00 N ATOM 0 H ARG A 83 2.306 19.989 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 83 2.089 19.338 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.202 20.194 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.429 19.175 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.226 20.801 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.046 21.784 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.892 21.128 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.386 22.423 3.106 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.335 22.428 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.010 23.830 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.462 25.339 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.725 24.368 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.059 25.642 0.110 1.00 0.00 H new ATOM 1243 N PRO A 84 1.131 16.964 2.485 1.00 0.00 N ATOM 1244 CA PRO A 84 0.940 15.514 2.381 1.00 0.00 C ATOM 1245 C PRO A 84 -0.235 15.148 1.481 1.00 0.00 C ATOM 1246 O PRO A 84 -1.045 16.002 1.121 1.00 0.00 O ATOM 1247 CB PRO A 84 0.660 15.089 3.825 1.00 0.00 C ATOM 1248 CG PRO A 84 0.104 16.307 4.478 1.00 0.00 C ATOM 1249 CD PRO A 84 0.787 17.476 3.822 1.00 0.00 C ATOM 0 HA PRO A 84 1.804 15.020 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.048 14.261 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.570 14.754 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.977 16.362 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.294 16.296 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.130 18.344 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.674 17.785 4.375 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.322 13.871 1.120 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.399 13.391 0.262 1.00 0.00 C ATOM 1259 C VAL A 85 -2.070 12.160 0.860 1.00 0.00 C ATOM 1260 O VAL A 85 -1.399 11.223 1.290 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.883 13.047 -1.148 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.006 12.484 -2.005 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.264 14.273 -1.802 1.00 0.00 C ATOM 0 H VAL A 85 0.340 13.151 1.408 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.128 14.198 0.187 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.111 12.283 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.623 12.247 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.398 11.579 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.803 13.222 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.095 14.012 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.014 15.060 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.570 14.626 -1.196 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.399 12.171 0.884 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.162 11.054 1.430 1.00 0.00 C ATOM 1275 C GLN A 86 -4.441 10.009 0.355 1.00 0.00 C ATOM 1276 O GLN A 86 -5.319 10.189 -0.488 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.479 11.553 2.028 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.446 10.436 2.385 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.016 9.662 3.615 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -6.114 8.340 3.548 1.00 0.00 O flip ATOM 1281 NE2 GLN A 86 -5.600 10.247 4.616 1.00 0.00 N flip ATOM 0 H GLN A 86 -3.969 12.940 0.532 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.567 10.589 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.264 12.136 2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.960 12.225 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.436 10.859 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.532 9.751 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.541 11.265 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.314 9.713 5.437 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.688 8.914 0.392 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.855 7.838 -0.578 1.00 0.00 C ATOM 1292 C VAL A 87 -4.370 6.569 0.091 1.00 0.00 C ATOM 1293 O VAL A 87 -4.439 6.486 1.318 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.531 7.524 -1.301 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.964 8.778 -1.948 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.528 6.914 -0.333 1.00 0.00 C ATOM 0 H VAL A 87 -2.956 8.749 1.083 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.587 8.182 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.731 6.797 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.029 8.536 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.678 9.168 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.778 9.530 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.599 6.698 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.331 7.616 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.935 5.990 0.078 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.729 5.582 -0.722 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.240 4.317 -0.208 1.00 0.00 C ATOM 1308 C TYR A 88 -4.559 3.136 -0.893 1.00 0.00 C ATOM 1309 O TYR A 88 -4.021 3.268 -1.993 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.754 4.234 -0.410 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.547 4.961 0.652 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.571 6.350 0.701 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.275 4.260 1.606 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.294 7.018 1.671 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -9.002 4.920 2.578 1.00 0.00 C ATOM 1316 CZ TYR A 88 -9.007 6.299 2.606 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.730 6.961 3.572 1.00 0.00 O ATOM 0 H TYR A 88 -4.676 5.633 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.020 4.272 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.005 4.648 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.054 3.186 -0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.015 6.917 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.272 3.180 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.300 8.098 1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.563 4.360 3.311 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.176 6.308 4.152 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.588 1.982 -0.236 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.973 0.777 -0.780 1.00 0.00 C ATOM 1329 C PHE A 89 -4.678 -0.474 -0.263 1.00 0.00 C ATOM 1330 O PHE A 89 -5.445 -0.415 0.699 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.488 0.726 -0.415 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.236 0.667 1.065 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.202 -0.550 1.727 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.032 1.828 1.793 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -1.971 -0.607 3.088 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.800 1.777 3.155 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.768 0.558 3.803 1.00 0.00 C ATOM 0 H PHE A 89 -5.031 1.855 0.674 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.072 0.807 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.036 -0.146 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.991 1.605 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.358 -1.464 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.054 2.784 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.949 -1.562 3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.644 2.689 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.585 0.515 4.866 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.413 -1.605 -0.907 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.023 -2.869 -0.516 1.00 0.00 C ATOM 1349 C TYR A 90 -4.281 -4.048 -1.138 1.00 0.00 C ATOM 1350 O TYR A 90 -3.478 -3.877 -2.056 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.494 -2.900 -0.932 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.699 -2.945 -2.430 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.634 -1.786 -3.194 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.955 -4.145 -3.080 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.821 -1.822 -4.563 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -7.142 -4.191 -4.448 1.00 0.00 C ATOM 1357 CZ TYR A 90 -7.075 -3.027 -5.185 1.00 0.00 C ATOM 1358 OH TYR A 90 -7.260 -3.067 -6.548 1.00 0.00 O ATOM 0 H TYR A 90 -3.779 -1.672 -1.703 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.958 -2.954 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -6.972 -3.770 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.995 -2.019 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.434 -0.841 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.009 -5.058 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.769 -0.912 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.340 -5.133 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.428 -3.991 -6.828 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.558 -5.246 -0.633 1.00 0.00 N ATOM 1369 CA VAL A 91 -3.919 -6.455 -1.140 1.00 0.00 C ATOM 1370 C VAL A 91 -4.842 -7.205 -2.095 1.00 0.00 C ATOM 1371 O VAL A 91 -5.939 -7.616 -1.720 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.512 -7.398 0.008 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.770 -8.610 -0.534 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -2.664 -6.656 1.030 1.00 0.00 C ATOM 0 H VAL A 91 -5.220 -5.405 0.126 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.024 -6.139 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.416 -7.749 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.491 -9.265 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.415 -9.153 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.872 -8.283 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.385 -7.337 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.763 -6.275 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.235 -5.823 1.441 1.00 0.00 H new ATOM 1384 N SER A 92 -4.388 -7.379 -3.332 1.00 0.00 N ATOM 1385 CA SER A 92 -5.173 -8.076 -4.344 1.00 0.00 C ATOM 1386 C SER A 92 -4.587 -9.455 -4.632 1.00 0.00 C ATOM 1387 O SER A 92 -3.453 -9.574 -5.095 1.00 0.00 O ATOM 1388 CB SER A 92 -5.230 -7.254 -5.632 1.00 0.00 C ATOM 1389 OG SER A 92 -3.937 -7.081 -6.184 1.00 0.00 O ATOM 0 H SER A 92 -3.480 -7.047 -3.658 1.00 0.00 H new ATOM 0 HA SER A 92 -6.185 -8.204 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.875 -7.752 -6.357 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.674 -6.280 -5.426 1.00 0.00 H new ATOM 0 HG SER A 92 -3.977 -6.426 -6.912 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.368 -10.493 -4.354 1.00 0.00 N ATOM 1396 CA ASN A 93 -4.927 -11.865 -4.583 1.00 0.00 C ATOM 1397 C ASN A 93 -5.896 -12.602 -5.502 1.00 0.00 C ATOM 1398 O ASN A 93 -6.959 -13.047 -5.071 1.00 0.00 O ATOM 1399 CB ASN A 93 -4.801 -12.610 -3.253 1.00 0.00 C ATOM 1400 CG ASN A 93 -3.924 -11.874 -2.258 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.100 -11.042 -2.637 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.099 -12.178 -0.977 1.00 0.00 N ATOM 0 H ASN A 93 -6.309 -10.411 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.951 -11.831 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.793 -12.751 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.387 -13.602 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.538 -11.715 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.794 -12.874 -0.708 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.521 -12.727 -6.771 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.367 -13.411 -7.731 1.00 0.00 C ATOM 1411 C GLY A 94 -7.090 -12.451 -8.655 1.00 0.00 C ATOM 1412 O GLY A 94 -6.468 -11.584 -9.269 1.00 0.00 O ATOM 0 H GLY A 94 -4.646 -12.367 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.759 -14.093 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.099 -14.018 -7.198 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.406 -12.606 -8.755 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.213 -11.747 -9.613 1.00 0.00 C ATOM 1418 C ARG A 95 -10.200 -10.927 -8.788 1.00 0.00 C ATOM 1419 O ARG A 95 -10.284 -9.708 -8.933 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.969 -12.587 -10.645 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.833 -13.675 -10.030 1.00 0.00 C ATOM 1422 CD ARG A 95 -11.325 -14.657 -11.081 1.00 0.00 C ATOM 1423 NE ARG A 95 -12.187 -14.014 -12.070 1.00 0.00 N ATOM 1424 CZ ARG A 95 -13.488 -13.812 -11.891 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -14.073 -14.201 -10.767 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -14.205 -13.220 -12.837 1.00 0.00 N ATOM 0 H ARG A 95 -8.936 -13.318 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.543 -11.062 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.599 -11.930 -11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.250 -13.046 -11.324 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.262 -14.209 -9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.687 -13.222 -9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.470 -15.108 -11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.871 -15.465 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.767 -13.703 -12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.524 -14.656 -10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.072 -14.045 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.758 -12.919 -13.703 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.204 -13.065 -12.698 1.00 0.00 H new ATOM 1440 N ARG A 96 -10.946 -11.605 -7.922 1.00 0.00 N ATOM 1441 CA ARG A 96 -11.928 -10.940 -7.074 1.00 0.00 C ATOM 1442 C ARG A 96 -11.498 -10.977 -5.611 1.00 0.00 C ATOM 1443 O ARG A 96 -11.753 -10.041 -4.853 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.299 -11.601 -7.231 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.385 -10.959 -6.382 1.00 0.00 C ATOM 1446 CD ARG A 96 -14.864 -9.649 -6.988 1.00 0.00 C ATOM 1447 NE ARG A 96 -15.772 -8.934 -6.097 1.00 0.00 N ATOM 1448 CZ ARG A 96 -15.363 -8.155 -5.101 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -14.067 -7.992 -4.872 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -16.251 -7.537 -4.333 1.00 0.00 N ATOM 0 H ARG A 96 -10.889 -12.615 -7.789 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.996 -9.898 -7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.596 -11.558 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.217 -12.655 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -15.226 -11.645 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.004 -10.778 -5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.004 -9.018 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.367 -9.850 -7.934 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.776 -9.038 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.382 -8.465 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.756 -7.394 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.249 -7.660 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.936 -6.939 -3.569 1.00 0.00 H new ATOM 1464 N LYS A 97 -10.843 -12.065 -5.219 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.376 -12.225 -3.847 1.00 0.00 C ATOM 1466 C LYS A 97 -9.309 -11.189 -3.512 1.00 0.00 C ATOM 1467 O LYS A 97 -8.153 -11.321 -3.915 1.00 0.00 O ATOM 1468 CB LYS A 97 -9.817 -13.634 -3.639 1.00 0.00 C ATOM 1469 CG LYS A 97 -10.802 -14.737 -3.985 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.129 -16.099 -4.009 1.00 0.00 C ATOM 1471 CE LYS A 97 -9.352 -16.314 -5.299 1.00 0.00 C ATOM 1472 NZ LYS A 97 -8.465 -17.508 -5.221 1.00 0.00 N ATOM 0 H LYS A 97 -10.624 -12.849 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.225 -12.075 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.921 -13.754 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.512 -13.745 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.613 -14.744 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.250 -14.534 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.454 -16.188 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.882 -16.880 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.050 -16.434 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.752 -15.429 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.953 -17.620 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.782 -17.383 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.040 -18.356 -5.042 1.00 0.00 H new ATOM 1486 N ARG A 98 -9.703 -10.159 -2.770 1.00 0.00 N ATOM 1487 CA ARG A 98 -8.780 -9.100 -2.380 1.00 0.00 C ATOM 1488 C ARG A 98 -9.239 -8.426 -1.090 1.00 0.00 C ATOM 1489 O ARG A 98 -10.287 -8.764 -0.541 1.00 0.00 O ATOM 1490 CB ARG A 98 -8.661 -8.061 -3.496 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.002 -7.565 -4.012 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.882 -6.185 -4.640 1.00 0.00 C ATOM 1493 NE ARG A 98 -11.148 -5.458 -4.610 1.00 0.00 N ATOM 1494 CZ ARG A 98 -11.434 -4.447 -5.423 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.549 -4.046 -6.325 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -12.608 -3.835 -5.334 1.00 0.00 N ATOM 0 H ARG A 98 -10.656 -10.035 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.803 -9.550 -2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.085 -7.211 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.100 -8.493 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.392 -8.268 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.719 -7.531 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.122 -5.611 -4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.545 -6.284 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.851 -5.742 -3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.646 -4.514 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.772 -3.269 -6.948 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.291 -4.141 -4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.827 -3.059 -5.958 1.00 0.00 H new ATOM 1510 N SER A 99 -8.446 -7.472 -0.613 1.00 0.00 N ATOM 1511 CA SER A 99 -8.769 -6.754 0.615 1.00 0.00 C ATOM 1512 C SER A 99 -9.240 -5.336 0.307 1.00 0.00 C ATOM 1513 O SER A 99 -8.916 -4.759 -0.732 1.00 0.00 O ATOM 1514 CB SER A 99 -7.551 -6.710 1.540 1.00 0.00 C ATOM 1515 OG SER A 99 -6.765 -5.557 1.293 1.00 0.00 O ATOM 0 H SER A 99 -7.576 -7.178 -1.057 1.00 0.00 H new ATOM 0 HA SER A 99 -9.578 -7.286 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.879 -6.714 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.946 -7.605 1.393 1.00 0.00 H new ATOM 0 HG SER A 99 -5.994 -5.551 1.898 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.023 -4.759 1.231 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.555 -3.401 1.082 1.00 0.00 C ATOM 1523 C PRO A 100 -9.469 -2.337 1.197 1.00 0.00 C ATOM 1524 O PRO A 100 -8.372 -2.604 1.689 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.547 -3.280 2.241 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.057 -4.249 3.262 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.448 -5.388 2.493 1.00 0.00 C ATOM 0 HA PRO A 100 -11.003 -3.244 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.570 -2.265 2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.561 -3.521 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.322 -3.785 3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.874 -4.597 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.605 -5.828 3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.169 -6.187 2.321 1.00 0.00 H new ATOM 1535 N THR A 101 -9.780 -1.128 0.739 1.00 0.00 N ATOM 1536 CA THR A 101 -8.831 -0.024 0.790 1.00 0.00 C ATOM 1537 C THR A 101 -8.604 0.441 2.224 1.00 0.00 C ATOM 1538 O THR A 101 -9.489 0.323 3.071 1.00 0.00 O ATOM 1539 CB THR A 101 -9.314 1.171 -0.054 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.572 1.643 0.440 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.453 0.779 -1.517 1.00 0.00 C ATOM 0 H THR A 101 -10.683 -0.889 0.328 1.00 0.00 H new ATOM 0 HA THR A 101 -7.892 -0.395 0.378 1.00 0.00 H new ATOM 0 HB THR A 101 -8.572 1.966 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.871 2.404 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.795 1.639 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.487 0.448 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.177 -0.031 -1.609 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.413 0.968 2.488 1.00 0.00 N ATOM 1550 CA GLN A 102 -7.071 1.451 3.821 1.00 0.00 C ATOM 1551 C GLN A 102 -6.695 2.928 3.786 1.00 0.00 C ATOM 1552 O GLN A 102 -6.170 3.421 2.787 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.916 0.632 4.402 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.264 -0.829 4.637 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.602 -1.006 5.328 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.767 -0.635 6.491 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.566 -1.576 4.615 1.00 0.00 N ATOM 0 H GLN A 102 -6.669 1.071 1.798 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.948 1.334 4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.064 0.689 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.603 1.079 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.281 -1.353 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.483 -1.292 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.385 -1.868 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.487 -1.722 5.028 1.00 0.00 H new ATOM 1566 N SER A 103 -6.966 3.629 4.882 1.00 0.00 N ATOM 1567 CA SER A 103 -6.660 5.052 4.974 1.00 0.00 C ATOM 1568 C SER A 103 -5.164 5.274 5.177 1.00 0.00 C ATOM 1569 O SER A 103 -4.586 4.819 6.164 1.00 0.00 O ATOM 1570 CB SER A 103 -7.442 5.690 6.124 1.00 0.00 C ATOM 1571 OG SER A 103 -7.056 5.139 7.371 1.00 0.00 O ATOM 0 H SER A 103 -7.397 3.235 5.719 1.00 0.00 H new ATOM 0 HA SER A 103 -6.956 5.523 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.272 6.767 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.510 5.537 5.970 1.00 0.00 H new ATOM 0 HG SER A 103 -6.093 4.957 7.364 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.544 5.976 4.234 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.115 6.258 4.307 1.00 0.00 C ATOM 1579 C PHE A 104 -2.822 7.694 3.884 1.00 0.00 C ATOM 1580 O PHE A 104 -3.654 8.350 3.257 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.335 5.284 3.421 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.948 4.998 3.921 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.752 4.406 5.158 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.159 5.321 3.154 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.524 4.143 5.621 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.437 5.060 3.611 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.620 4.469 4.846 1.00 0.00 C ATOM 0 H PHE A 104 -5.008 6.360 3.411 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.797 6.131 5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.888 4.347 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.272 5.693 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.605 4.147 5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.022 5.782 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.664 3.683 6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.292 5.318 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.617 4.262 5.205 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.634 8.177 4.232 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.231 9.536 3.890 1.00 0.00 C ATOM 1599 C ARG A 105 0.289 9.648 3.808 1.00 0.00 C ATOM 1600 O ARG A 105 1.007 9.133 4.666 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.771 10.526 4.924 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.377 11.968 4.649 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.584 12.844 5.875 1.00 0.00 C ATOM 1604 NE ARG A 105 -2.947 13.364 5.953 1.00 0.00 N ATOM 1605 CZ ARG A 105 -3.514 13.771 7.082 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -2.840 13.721 8.223 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -4.759 14.231 7.073 1.00 0.00 N ATOM 0 H ARG A 105 -0.933 7.647 4.751 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.649 9.777 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.858 10.454 4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.408 10.241 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.332 12.009 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.967 12.356 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.364 12.268 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.880 13.676 5.849 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.493 13.417 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.883 13.369 8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.279 14.035 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.281 14.272 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.194 14.543 7.941 1.00 0.00 H new ATOM 1621 N PHE A 106 0.772 10.323 2.771 1.00 0.00 N ATOM 1622 CA PHE A 106 2.206 10.501 2.576 1.00 0.00 C ATOM 1623 C PHE A 106 2.656 11.872 3.071 1.00 0.00 C ATOM 1624 O PHE A 106 2.141 12.903 2.635 1.00 0.00 O ATOM 1625 CB PHE A 106 2.566 10.337 1.097 1.00 0.00 C ATOM 1626 CG PHE A 106 2.266 8.969 0.556 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.789 7.839 1.163 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.461 8.813 -0.562 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.515 6.578 0.667 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.183 7.554 -1.061 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.712 6.436 -0.447 1.00 0.00 C ATOM 0 H PHE A 106 0.192 10.756 2.053 1.00 0.00 H new ATOM 0 HA PHE A 106 2.724 9.737 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.019 11.078 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.627 10.547 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.418 7.944 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.047 9.684 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.929 5.705 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.552 7.445 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.498 5.452 -0.838 1.00 0.00 H new ATOM 1641 N LEU A 107 3.620 11.877 3.985 1.00 0.00 N ATOM 1642 CA LEU A 107 4.140 13.121 4.542 1.00 0.00 C ATOM 1643 C LEU A 107 5.290 13.658 3.695 1.00 0.00 C ATOM 1644 O LEU A 107 6.124 12.907 3.189 1.00 0.00 O ATOM 1645 CB LEU A 107 4.611 12.902 5.981 1.00 0.00 C ATOM 1646 CG LEU A 107 3.630 12.180 6.905 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.350 11.642 8.132 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.499 13.112 7.314 1.00 0.00 C ATOM 0 H LEU A 107 4.057 11.034 4.356 1.00 0.00 H new ATOM 0 HA LEU A 107 3.335 13.856 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.541 12.333 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.843 13.873 6.418 1.00 0.00 H new ATOM 0 HG LEU A 107 3.202 11.338 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.636 11.131 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.124 10.941 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.806 12.468 8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.810 12.582 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.910 13.974 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.965 13.449 6.425 1.00 0.00 H new ATOM 1660 N PRO A 108 5.338 14.989 3.538 1.00 0.00 N ATOM 1661 CA PRO A 108 6.382 15.657 2.755 1.00 0.00 C ATOM 1662 C PRO A 108 7.747 15.589 3.432 1.00 0.00 C ATOM 1663 O PRO A 108 7.844 15.606 4.659 1.00 0.00 O ATOM 1664 CB PRO A 108 5.895 17.106 2.677 1.00 0.00 C ATOM 1665 CG PRO A 108 5.029 17.279 3.877 1.00 0.00 C ATOM 1666 CD PRO A 108 4.377 15.945 4.113 1.00 0.00 C ATOM 0 HA PRO A 108 6.524 15.188 1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.731 17.806 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.339 17.288 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.618 17.584 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.282 18.055 3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.213 15.760 5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.405 15.881 3.624 1.00 0.00 H new ATOM 1674 N VAL A 109 8.800 15.512 2.625 1.00 0.00 N ATOM 1675 CA VAL A 109 10.160 15.444 3.146 1.00 0.00 C ATOM 1676 C VAL A 109 10.699 16.834 3.460 1.00 0.00 C ATOM 1677 O VAL A 109 11.456 17.016 4.414 1.00 0.00 O ATOM 1678 CB VAL A 109 11.108 14.750 2.150 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.530 14.731 2.691 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.625 13.340 1.847 1.00 0.00 C ATOM 0 H VAL A 109 8.737 15.495 1.607 1.00 0.00 H new ATOM 0 HA VAL A 109 10.118 14.859 4.065 1.00 0.00 H new ATOM 0 HB VAL A 109 11.106 15.317 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.186 14.237 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.872 15.753 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.552 14.189 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.307 12.865 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.595 12.760 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.626 13.383 1.413 1.00 0.00 H new