USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 674 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 52 SER OG : rot 77:sc= 0.152 USER MOD Set 1.2: A 58 THR OG1 : rot 71:sc= 0.129 USER MOD Single : A 9 MET CE :methyl -165:sc= -1.15 (180deg=-1.15) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.4 F(o=-0.94,f=-0.4) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.35 K(o=-0.35,f=-5.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 38 GLN : amide:sc= -1.26 K(o=-1.3,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.658 K(o=-0.66,f=-5.8!) USER MOD Single : A 47 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.049 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -141:sc= -0.709 (180deg=-4.3!) USER MOD Single : A 62 ASN : amide:sc= 0.0315 X(o=0.032,f=-0.088) USER MOD Single : A 63 TYR OH : rot 30:sc= -0.737 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.6!) USER MOD Single : A 80 MET CE :methyl 175:sc= -1.7 (180deg=-1.97) USER MOD Single : A 82 TYR OH : rot 13:sc= -1.02 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.499 8.388 1.662 1.00 0.00 N ATOM 69 CA ASP A 8 1.086 8.740 1.568 1.00 0.00 C ATOM 70 C ASP A 8 0.206 7.607 2.086 1.00 0.00 C ATOM 71 O ASP A 8 -0.929 7.438 1.640 1.00 0.00 O ATOM 72 CB ASP A 8 0.717 9.066 0.119 1.00 0.00 C ATOM 73 CG ASP A 8 1.087 10.485 -0.266 1.00 0.00 C ATOM 74 OD1 ASP A 8 0.459 11.427 0.262 1.00 0.00 O ATOM 75 OD2 ASP A 8 2.004 10.655 -1.097 1.00 0.00 O ATOM 0 HA ASP A 8 0.914 9.620 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.223 8.368 -0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.354 8.922 -0.022 1.00 0.00 H new ATOM 80 N MET A 9 0.735 6.835 3.029 1.00 0.00 N ATOM 81 CA MET A 9 -0.005 5.719 3.606 1.00 0.00 C ATOM 82 C MET A 9 -0.798 6.167 4.831 1.00 0.00 C ATOM 83 O MET A 9 -1.854 5.611 5.136 1.00 0.00 O ATOM 84 CB MET A 9 0.952 4.586 3.984 1.00 0.00 C ATOM 85 CG MET A 9 0.843 3.370 3.080 1.00 0.00 C ATOM 86 SD MET A 9 -0.225 2.088 3.764 1.00 0.00 S ATOM 87 CE MET A 9 -0.706 1.217 2.275 1.00 0.00 C ATOM 0 H MET A 9 1.673 6.961 3.410 1.00 0.00 H new ATOM 0 HA MET A 9 -0.708 5.354 2.857 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.975 4.961 3.953 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.754 4.283 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.457 3.678 2.108 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.838 2.957 2.912 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.561 0.576 2.489 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.977 1.938 1.503 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.127 0.607 1.925 1.00 0.00 H new ATOM 97 N LYS A 10 -0.283 7.173 5.529 1.00 0.00 N ATOM 98 CA LYS A 10 -0.944 7.695 6.719 1.00 0.00 C ATOM 99 C LYS A 10 -2.313 8.273 6.374 1.00 0.00 C ATOM 100 O LYS A 10 -3.231 8.253 7.194 1.00 0.00 O ATOM 101 CB LYS A 10 -0.074 8.765 7.383 1.00 0.00 C ATOM 102 CG LYS A 10 0.476 8.349 8.738 1.00 0.00 C ATOM 103 CD LYS A 10 -0.239 9.063 9.874 1.00 0.00 C ATOM 104 CE LYS A 10 0.706 9.358 11.030 1.00 0.00 C ATOM 105 NZ LYS A 10 0.477 10.714 11.601 1.00 0.00 N ATOM 0 H LYS A 10 0.590 7.643 5.291 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.087 6.870 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.758 9.007 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.661 9.676 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.369 7.271 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.542 8.570 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.668 9.995 9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.067 8.449 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.571 8.608 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.737 9.278 10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.140 10.877 12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.630 11.431 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.499 10.782 11.953 1.00 0.00 H new ATOM 119 N GLN A 11 -2.444 8.787 5.156 1.00 0.00 N ATOM 120 CA GLN A 11 -3.703 9.371 4.703 1.00 0.00 C ATOM 121 C GLN A 11 -4.792 8.308 4.597 1.00 0.00 C ATOM 122 O GLN A 11 -5.974 8.598 4.774 1.00 0.00 O ATOM 123 CB GLN A 11 -3.513 10.060 3.350 1.00 0.00 C ATOM 124 CG GLN A 11 -3.077 9.115 2.242 1.00 0.00 C ATOM 125 CD GLN A 11 -3.950 9.219 1.007 1.00 0.00 C ATOM 126 OE1 GLN A 11 -3.322 9.245 -0.162 1.00 0.00 O flip ATOM 127 NE2 GLN A 11 -5.177 9.275 1.103 1.00 0.00 N flip ATOM 0 H GLN A 11 -1.695 8.812 4.464 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.015 10.111 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.449 10.539 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.770 10.850 3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.044 9.332 1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.101 8.091 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.618 9.252 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.752 9.344 0.263 1.00 0.00 H new ATOM 136 N LEU A 12 -4.386 7.075 4.308 1.00 0.00 N ATOM 137 CA LEU A 12 -5.328 5.971 4.179 1.00 0.00 C ATOM 138 C LEU A 12 -6.045 5.709 5.500 1.00 0.00 C ATOM 139 O LEU A 12 -5.624 6.190 6.552 1.00 0.00 O ATOM 140 CB LEU A 12 -4.602 4.705 3.713 1.00 0.00 C ATOM 141 CG LEU A 12 -4.809 4.346 2.241 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.682 3.452 1.747 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.156 3.668 2.043 1.00 0.00 C ATOM 0 H LEU A 12 -3.411 6.817 4.159 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.074 6.247 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.534 4.829 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.934 3.867 4.326 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.798 5.266 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.846 3.206 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.731 3.973 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.661 2.535 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.287 3.419 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.195 2.756 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.952 4.342 2.358 1.00 0.00 H new ATOM 155 N ALA A 13 -7.132 4.946 5.436 1.00 0.00 N ATOM 156 CA ALA A 13 -7.907 4.620 6.626 1.00 0.00 C ATOM 157 C ALA A 13 -7.662 3.180 7.066 1.00 0.00 C ATOM 158 O ALA A 13 -7.352 2.315 6.247 1.00 0.00 O ATOM 159 CB ALA A 13 -9.389 4.850 6.368 1.00 0.00 C ATOM 0 H ALA A 13 -7.495 4.543 4.572 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.582 5.278 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.957 4.603 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.555 5.896 6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.718 4.216 5.544 1.00 0.00 H new ATOM 165 N GLU A 14 -7.803 2.932 8.364 1.00 0.00 N ATOM 166 CA GLU A 14 -7.597 1.597 8.913 1.00 0.00 C ATOM 167 C GLU A 14 -8.561 0.594 8.287 1.00 0.00 C ATOM 168 O GLU A 14 -8.227 -0.577 8.113 1.00 0.00 O ATOM 169 CB GLU A 14 -7.777 1.615 10.432 1.00 0.00 C ATOM 170 CG GLU A 14 -7.129 0.434 11.136 1.00 0.00 C ATOM 171 CD GLU A 14 -7.657 0.232 12.543 1.00 0.00 C ATOM 172 OE1 GLU A 14 -8.049 1.233 13.179 1.00 0.00 O ATOM 173 OE2 GLU A 14 -7.679 -0.926 13.008 1.00 0.00 O ATOM 0 H GLU A 14 -8.059 3.638 9.055 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.578 1.288 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.356 2.539 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.842 1.625 10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.302 -0.471 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.050 0.586 11.175 1.00 0.00 H new ATOM 180 N ASP A 15 -9.757 1.063 7.950 1.00 0.00 N ATOM 181 CA ASP A 15 -10.770 0.208 7.342 1.00 0.00 C ATOM 182 C ASP A 15 -10.327 -0.264 5.962 1.00 0.00 C ATOM 183 O ASP A 15 -10.579 -1.404 5.574 1.00 0.00 O ATOM 184 CB ASP A 15 -12.101 0.954 7.236 1.00 0.00 C ATOM 185 CG ASP A 15 -12.920 0.860 8.509 1.00 0.00 C ATOM 186 OD1 ASP A 15 -13.033 -0.254 9.062 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.448 1.901 8.953 1.00 0.00 O ATOM 0 H ASP A 15 -10.049 2.031 8.087 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.902 -0.666 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.909 2.002 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.678 0.547 6.405 1.00 0.00 H new ATOM 192 N VAL A 16 -9.665 0.620 5.224 1.00 0.00 N ATOM 193 CA VAL A 16 -9.186 0.294 3.886 1.00 0.00 C ATOM 194 C VAL A 16 -8.055 -0.727 3.943 1.00 0.00 C ATOM 195 O VAL A 16 -8.077 -1.732 3.232 1.00 0.00 O ATOM 196 CB VAL A 16 -8.691 1.549 3.143 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.421 1.234 1.679 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.699 2.681 3.275 1.00 0.00 C ATOM 0 H VAL A 16 -9.448 1.568 5.530 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.031 -0.130 3.343 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.755 1.871 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.072 2.133 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.658 0.459 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.339 0.884 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.332 3.559 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.653 2.371 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.836 2.925 4.328 1.00 0.00 H new ATOM 208 N LYS A 17 -7.067 -0.463 4.791 1.00 0.00 N ATOM 209 CA LYS A 17 -5.927 -1.358 4.941 1.00 0.00 C ATOM 210 C LYS A 17 -6.354 -2.683 5.566 1.00 0.00 C ATOM 211 O LYS A 17 -5.768 -3.730 5.287 1.00 0.00 O ATOM 212 CB LYS A 17 -4.846 -0.701 5.802 1.00 0.00 C ATOM 213 CG LYS A 17 -4.311 0.599 5.218 1.00 0.00 C ATOM 214 CD LYS A 17 -4.347 1.728 6.239 1.00 0.00 C ATOM 215 CE LYS A 17 -3.025 2.477 6.289 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.213 2.092 7.477 1.00 0.00 N ATOM 0 H LYS A 17 -7.033 0.365 5.386 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.521 -1.558 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.253 -0.504 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.019 -1.400 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.287 0.450 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.902 0.877 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.150 2.421 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.573 1.321 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.458 2.274 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.216 3.550 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.320 2.625 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.743 2.309 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.008 1.073 7.442 1.00 0.00 H new ATOM 230 N LEU A 18 -7.377 -2.630 6.413 1.00 0.00 N ATOM 231 CA LEU A 18 -7.881 -3.825 7.079 1.00 0.00 C ATOM 232 C LEU A 18 -8.390 -4.842 6.062 1.00 0.00 C ATOM 233 O LEU A 18 -7.997 -6.008 6.084 1.00 0.00 O ATOM 234 CB LEU A 18 -9.001 -3.456 8.055 1.00 0.00 C ATOM 235 CG LEU A 18 -8.545 -3.183 9.489 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.580 -2.351 10.229 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.287 -4.491 10.222 1.00 0.00 C ATOM 0 H LEU A 18 -7.873 -1.772 6.654 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.058 -4.276 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.514 -2.571 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.731 -4.265 8.070 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.614 -2.618 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.238 -2.167 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.717 -1.400 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.528 -2.889 10.256 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.963 -4.279 11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.203 -5.081 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.509 -5.051 9.703 1.00 0.00 H new ATOM 249 N GLN A 19 -9.269 -4.393 5.172 1.00 0.00 N ATOM 250 CA GLN A 19 -9.834 -5.263 4.148 1.00 0.00 C ATOM 251 C GLN A 19 -8.739 -5.835 3.252 1.00 0.00 C ATOM 252 O GLN A 19 -8.861 -6.946 2.738 1.00 0.00 O ATOM 253 CB GLN A 19 -10.851 -4.496 3.301 1.00 0.00 C ATOM 254 CG GLN A 19 -11.980 -3.883 4.113 1.00 0.00 C ATOM 255 CD GLN A 19 -12.851 -2.952 3.291 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.614 -3.393 2.433 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.738 -1.655 3.551 1.00 0.00 N ATOM 0 H GLN A 19 -9.605 -3.431 5.140 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.337 -6.090 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.335 -3.705 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.274 -5.171 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.597 -4.679 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.560 -3.333 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.092 -1.334 4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.297 -0.980 3.030 1.00 0.00 H new ATOM 266 N LEU A 20 -7.670 -5.067 3.069 1.00 0.00 N ATOM 267 CA LEU A 20 -6.553 -5.496 2.235 1.00 0.00 C ATOM 268 C LEU A 20 -5.900 -6.753 2.801 1.00 0.00 C ATOM 269 O LEU A 20 -5.373 -7.580 2.055 1.00 0.00 O ATOM 270 CB LEU A 20 -5.517 -4.377 2.118 1.00 0.00 C ATOM 271 CG LEU A 20 -5.798 -3.346 1.023 1.00 0.00 C ATOM 272 CD1 LEU A 20 -5.345 -1.963 1.463 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.110 -3.747 -0.273 1.00 0.00 C ATOM 0 H LEU A 20 -7.554 -4.144 3.487 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.942 -5.727 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.454 -3.860 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.541 -4.825 1.932 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.873 -3.314 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.553 -1.243 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.882 -1.674 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.274 -1.979 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.320 -3.003 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.034 -3.807 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.483 -4.719 -0.597 1.00 0.00 H new ATOM 285 N TYR A 21 -5.937 -6.891 4.121 1.00 0.00 N ATOM 286 CA TYR A 21 -5.346 -8.048 4.786 1.00 0.00 C ATOM 287 C TYR A 21 -6.149 -9.312 4.498 1.00 0.00 C ATOM 288 O TYR A 21 -5.582 -10.373 4.236 1.00 0.00 O ATOM 289 CB TYR A 21 -5.269 -7.811 6.295 1.00 0.00 C ATOM 290 CG TYR A 21 -4.545 -6.539 6.675 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.380 -6.158 6.022 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.029 -5.718 7.687 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.716 -4.995 6.368 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.371 -4.555 8.037 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.216 -4.198 7.376 1.00 0.00 C ATOM 296 OH TYR A 21 -2.558 -3.040 7.722 1.00 0.00 O ATOM 0 H TYR A 21 -6.370 -6.217 4.753 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.338 -8.184 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.280 -7.778 6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.766 -8.658 6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.986 -6.780 5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.934 -5.994 8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.811 -4.713 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.760 -3.928 8.826 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.041 -2.594 8.449 1.00 0.00 H new ATOM 306 N LYS A 22 -7.471 -9.192 4.551 1.00 0.00 N ATOM 307 CA LYS A 22 -8.352 -10.327 4.297 1.00 0.00 C ATOM 308 C LYS A 22 -8.199 -10.827 2.863 1.00 0.00 C ATOM 309 O LYS A 22 -8.370 -12.015 2.589 1.00 0.00 O ATOM 310 CB LYS A 22 -9.809 -9.938 4.563 1.00 0.00 C ATOM 311 CG LYS A 22 -10.300 -10.337 5.946 1.00 0.00 C ATOM 312 CD LYS A 22 -11.030 -9.194 6.633 1.00 0.00 C ATOM 313 CE LYS A 22 -10.062 -8.264 7.347 1.00 0.00 C ATOM 314 NZ LYS A 22 -10.751 -7.410 8.354 1.00 0.00 N ATOM 0 H LYS A 22 -7.956 -8.321 4.767 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.069 -11.133 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.916 -8.860 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.445 -10.406 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.965 -11.196 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.453 -10.648 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.601 -8.630 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.745 -9.597 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.289 -8.854 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.561 -7.630 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.056 -6.791 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.472 -6.828 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.207 -8.014 9.067 1.00 0.00 H new ATOM 328 N LEU A 23 -7.876 -9.914 1.953 1.00 0.00 N ATOM 329 CA LEU A 23 -7.701 -10.265 0.548 1.00 0.00 C ATOM 330 C LEU A 23 -6.397 -11.026 0.336 1.00 0.00 C ATOM 331 O LEU A 23 -6.392 -12.125 -0.219 1.00 0.00 O ATOM 332 CB LEU A 23 -7.716 -9.004 -0.319 1.00 0.00 C ATOM 333 CG LEU A 23 -9.097 -8.386 -0.539 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.981 -6.883 -0.750 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.790 -9.040 -1.724 1.00 0.00 C ATOM 0 H LEU A 23 -7.730 -8.927 2.163 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.529 -10.910 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.070 -8.257 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.283 -9.244 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.700 -8.562 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.973 -6.460 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.525 -6.426 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.361 -6.685 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.772 -8.588 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.190 -8.894 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.906 -10.107 -1.534 1.00 0.00 H new ATOM 347 N LEU A 24 -5.293 -10.436 0.781 1.00 0.00 N ATOM 348 CA LEU A 24 -3.981 -11.059 0.640 1.00 0.00 C ATOM 349 C LEU A 24 -3.944 -12.426 1.319 1.00 0.00 C ATOM 350 O LEU A 24 -3.127 -13.278 0.970 1.00 0.00 O ATOM 351 CB LEU A 24 -2.899 -10.153 1.232 1.00 0.00 C ATOM 352 CG LEU A 24 -2.842 -8.742 0.643 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.005 -7.828 1.525 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.285 -8.779 -0.772 1.00 0.00 C ATOM 0 H LEU A 24 -5.280 -9.527 1.243 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.789 -11.201 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.060 -10.075 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.929 -10.630 1.089 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.856 -8.343 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.976 -6.829 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.447 -7.778 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.991 -8.221 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.251 -7.767 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.279 -9.197 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.926 -9.399 -1.399 1.00 0.00 H new ATOM 366 N GLU A 25 -4.831 -12.628 2.289 1.00 0.00 N ATOM 367 CA GLU A 25 -4.896 -13.893 3.015 1.00 0.00 C ATOM 368 C GLU A 25 -5.087 -15.067 2.058 1.00 0.00 C ATOM 369 O GLU A 25 -4.657 -16.186 2.340 1.00 0.00 O ATOM 370 CB GLU A 25 -6.037 -13.860 4.034 1.00 0.00 C ATOM 371 CG GLU A 25 -5.691 -14.527 5.356 1.00 0.00 C ATOM 372 CD GLU A 25 -5.509 -16.026 5.222 1.00 0.00 C ATOM 373 OE1 GLU A 25 -6.519 -16.731 5.016 1.00 0.00 O ATOM 374 OE2 GLU A 25 -4.356 -16.496 5.325 1.00 0.00 O ATOM 0 H GLU A 25 -5.514 -11.933 2.590 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.950 -14.029 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.316 -12.823 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.910 -14.352 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.776 -14.087 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.481 -14.324 6.079 1.00 0.00 H new ATOM 381 N ILE A 26 -5.733 -14.806 0.926 1.00 0.00 N ATOM 382 CA ILE A 26 -5.977 -15.843 -0.070 1.00 0.00 C ATOM 383 C ILE A 26 -4.663 -16.426 -0.587 1.00 0.00 C ATOM 384 O ILE A 26 -3.864 -15.720 -1.205 1.00 0.00 O ATOM 385 CB ILE A 26 -6.790 -15.297 -1.261 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.061 -14.603 -0.767 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.137 -16.421 -2.227 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.426 -13.371 -1.566 1.00 0.00 C ATOM 0 H ILE A 26 -6.097 -13.886 0.676 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.552 -16.628 0.421 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.180 -14.564 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.890 -15.310 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.930 -14.323 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.711 -16.019 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.220 -16.875 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.729 -17.176 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.337 -12.931 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.615 -12.645 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.590 -13.648 -2.607 1.00 0.00 H new ATOM 400 N PRO A 27 -4.415 -17.727 -0.345 1.00 0.00 N ATOM 401 CA PRO A 27 -3.188 -18.392 -0.795 1.00 0.00 C ATOM 402 C PRO A 27 -3.181 -18.638 -2.301 1.00 0.00 C ATOM 403 O PRO A 27 -3.131 -19.782 -2.754 1.00 0.00 O ATOM 404 CB PRO A 27 -3.209 -19.719 -0.035 1.00 0.00 C ATOM 405 CG PRO A 27 -4.653 -19.994 0.200 1.00 0.00 C ATOM 406 CD PRO A 27 -5.308 -18.651 0.384 1.00 0.00 C ATOM 0 HA PRO A 27 -2.301 -17.789 -0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.743 -20.516 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.661 -19.647 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.090 -20.529 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.792 -20.620 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.318 -18.638 -0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.387 -18.384 1.438 1.00 0.00 H new ATOM 414 N ASP A 28 -3.230 -17.556 -3.071 1.00 0.00 N ATOM 415 CA ASP A 28 -3.228 -17.654 -4.526 1.00 0.00 C ATOM 416 C ASP A 28 -1.928 -17.107 -5.108 1.00 0.00 C ATOM 417 O ASP A 28 -1.248 -16.296 -4.479 1.00 0.00 O ATOM 418 CB ASP A 28 -4.422 -16.895 -5.109 1.00 0.00 C ATOM 419 CG ASP A 28 -5.581 -17.813 -5.450 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.323 -18.957 -5.879 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.743 -17.387 -5.287 1.00 0.00 O ATOM 0 H ASP A 28 -3.272 -16.602 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.308 -18.707 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.756 -16.144 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.107 -16.363 -6.007 1.00 0.00 H new ATOM 426 N PRO A 29 -1.562 -17.546 -6.326 1.00 0.00 N ATOM 427 CA PRO A 29 -0.336 -17.095 -6.991 1.00 0.00 C ATOM 428 C PRO A 29 -0.389 -15.617 -7.366 1.00 0.00 C ATOM 429 O PRO A 29 0.646 -14.961 -7.490 1.00 0.00 O ATOM 430 CB PRO A 29 -0.270 -17.963 -8.252 1.00 0.00 C ATOM 431 CG PRO A 29 -1.677 -18.383 -8.500 1.00 0.00 C ATOM 432 CD PRO A 29 -2.315 -18.512 -7.146 1.00 0.00 C ATOM 0 HA PRO A 29 0.535 -17.195 -6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.130 -17.403 -9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.380 -18.826 -8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.202 -17.648 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.712 -19.329 -9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.378 -18.272 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.229 -19.526 -6.755 1.00 0.00 H new ATOM 440 N ASP A 30 -1.600 -15.098 -7.546 1.00 0.00 N ATOM 441 CA ASP A 30 -1.785 -13.698 -7.906 1.00 0.00 C ATOM 442 C ASP A 30 -2.748 -13.009 -6.945 1.00 0.00 C ATOM 443 O ASP A 30 -3.438 -12.060 -7.319 1.00 0.00 O ATOM 444 CB ASP A 30 -2.309 -13.584 -9.339 1.00 0.00 C ATOM 445 CG ASP A 30 -1.235 -13.861 -10.372 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.832 -15.034 -10.509 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.797 -12.903 -11.044 1.00 0.00 O ATOM 0 H ASP A 30 -2.467 -15.627 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.817 -13.202 -7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.132 -14.285 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.712 -12.583 -9.497 1.00 0.00 H new ATOM 452 N LYS A 31 -2.791 -13.491 -5.707 1.00 0.00 N ATOM 453 CA LYS A 31 -3.673 -12.920 -4.696 1.00 0.00 C ATOM 454 C LYS A 31 -3.163 -13.232 -3.291 1.00 0.00 C ATOM 455 O LYS A 31 -3.949 -13.381 -2.354 1.00 0.00 O ATOM 456 CB LYS A 31 -5.096 -13.455 -4.870 1.00 0.00 C ATOM 457 CG LYS A 31 -6.006 -12.522 -5.653 1.00 0.00 C ATOM 458 CD LYS A 31 -6.991 -13.297 -6.514 1.00 0.00 C ATOM 459 CE LYS A 31 -7.344 -12.533 -7.780 1.00 0.00 C ATOM 460 NZ LYS A 31 -8.648 -11.824 -7.655 1.00 0.00 N ATOM 0 H LYS A 31 -2.226 -14.275 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.683 -11.838 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.053 -14.418 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.531 -13.633 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.552 -11.880 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.403 -11.870 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.563 -14.264 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.898 -13.496 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.558 -11.811 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.386 -13.224 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.853 -11.315 -8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.403 -12.515 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.600 -11.146 -6.868 1.00 0.00 H new ATOM 474 N ASN A 32 -1.845 -13.329 -3.152 1.00 0.00 N ATOM 475 CA ASN A 32 -1.233 -13.623 -1.861 1.00 0.00 C ATOM 476 C ASN A 32 -0.464 -12.416 -1.335 1.00 0.00 C ATOM 477 O ASN A 32 -0.077 -11.532 -2.099 1.00 0.00 O ATOM 478 CB ASN A 32 -0.297 -14.828 -1.979 1.00 0.00 C ATOM 479 CG ASN A 32 0.305 -15.226 -0.646 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.491 -15.013 -0.398 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.514 -15.810 0.222 1.00 0.00 N ATOM 0 H ASN A 32 -1.181 -13.208 -3.916 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.029 -13.858 -1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.848 -15.673 -2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.504 -14.595 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.166 -16.101 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.491 -15.967 -0.025 1.00 0.00 H new ATOM 488 N TRP A 33 -0.245 -12.385 -0.024 1.00 0.00 N ATOM 489 CA TRP A 33 0.478 -11.287 0.605 1.00 0.00 C ATOM 490 C TRP A 33 1.938 -11.271 0.162 1.00 0.00 C ATOM 491 O TRP A 33 2.504 -10.211 -0.108 1.00 0.00 O ATOM 492 CB TRP A 33 0.398 -11.401 2.129 1.00 0.00 C ATOM 493 CG TRP A 33 0.841 -12.735 2.648 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.046 -13.805 2.944 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.184 -13.141 2.935 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.813 -14.851 3.397 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.129 -14.469 3.401 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.429 -12.512 2.842 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.269 -15.176 3.772 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.560 -13.215 3.210 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.474 -14.535 3.670 1.00 0.00 C ATOM 0 H TRP A 33 -0.558 -13.109 0.623 1.00 0.00 H new ATOM 0 HA TRP A 33 0.011 -10.353 0.292 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.014 -10.622 2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.629 -11.218 2.447 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.029 -13.826 2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.460 -15.764 3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.505 -11.494 2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.205 -16.194 4.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.527 -12.739 3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.377 -15.058 3.950 1.00 0.00 H new ATOM 512 N ALA A 34 2.542 -12.452 0.089 1.00 0.00 N ATOM 513 CA ALA A 34 3.935 -12.575 -0.321 1.00 0.00 C ATOM 514 C ALA A 34 4.149 -12.008 -1.721 1.00 0.00 C ATOM 515 O ALA A 34 5.175 -11.389 -2.001 1.00 0.00 O ATOM 516 CB ALA A 34 4.374 -14.031 -0.269 1.00 0.00 C ATOM 0 H ALA A 34 2.088 -13.338 0.309 1.00 0.00 H new ATOM 0 HA ALA A 34 4.544 -11.997 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.417 -14.108 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.268 -14.407 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.752 -14.623 -0.941 1.00 0.00 H new ATOM 522 N THR A 35 3.173 -12.225 -2.596 1.00 0.00 N ATOM 523 CA THR A 35 3.253 -11.736 -3.968 1.00 0.00 C ATOM 524 C THR A 35 3.316 -10.212 -3.999 1.00 0.00 C ATOM 525 O THR A 35 4.087 -9.628 -4.760 1.00 0.00 O ATOM 526 CB THR A 35 2.050 -12.226 -4.776 1.00 0.00 C ATOM 527 OG1 THR A 35 1.623 -13.496 -4.319 1.00 0.00 O ATOM 528 CG2 THR A 35 2.332 -12.341 -6.258 1.00 0.00 C ATOM 0 H THR A 35 2.317 -12.736 -2.380 1.00 0.00 H new ATOM 0 HA THR A 35 4.166 -12.128 -4.416 1.00 0.00 H new ATOM 0 HB THR A 35 1.276 -11.473 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.852 -13.791 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.438 -12.693 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.616 -11.365 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.146 -13.048 -6.420 1.00 0.00 H new ATOM 536 N LEU A 36 2.500 -9.574 -3.167 1.00 0.00 N ATOM 537 CA LEU A 36 2.462 -8.118 -3.099 1.00 0.00 C ATOM 538 C LEU A 36 3.807 -7.558 -2.646 1.00 0.00 C ATOM 539 O LEU A 36 4.198 -6.460 -3.039 1.00 0.00 O ATOM 540 CB LEU A 36 1.357 -7.659 -2.146 1.00 0.00 C ATOM 541 CG LEU A 36 1.080 -6.155 -2.150 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.397 -5.742 -3.444 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.232 -5.767 -0.948 1.00 0.00 C ATOM 0 H LEU A 36 1.856 -10.043 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 36 2.250 -7.739 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.436 -8.183 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.624 -7.961 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 36 2.032 -5.628 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.208 -4.669 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.041 -5.985 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.548 -6.276 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.044 -4.693 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.717 -6.302 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.760 -6.027 -0.031 1.00 0.00 H new ATOM 555 N ALA A 37 4.508 -8.321 -1.814 1.00 0.00 N ATOM 556 CA ALA A 37 5.809 -7.901 -1.306 1.00 0.00 C ATOM 557 C ALA A 37 6.806 -7.705 -2.443 1.00 0.00 C ATOM 558 O ALA A 37 7.564 -6.736 -2.457 1.00 0.00 O ATOM 559 CB ALA A 37 6.337 -8.919 -0.306 1.00 0.00 C ATOM 0 H ALA A 37 4.198 -9.232 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 37 5.683 -6.943 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.309 -8.594 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.640 -9.005 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.441 -9.888 -0.794 1.00 0.00 H new ATOM 565 N GLN A 38 6.799 -8.633 -3.395 1.00 0.00 N ATOM 566 CA GLN A 38 7.703 -8.563 -4.537 1.00 0.00 C ATOM 567 C GLN A 38 7.344 -7.391 -5.445 1.00 0.00 C ATOM 568 O GLN A 38 8.218 -6.778 -6.060 1.00 0.00 O ATOM 569 CB GLN A 38 7.660 -9.870 -5.330 1.00 0.00 C ATOM 570 CG GLN A 38 7.830 -11.110 -4.468 1.00 0.00 C ATOM 571 CD GLN A 38 6.835 -12.202 -4.813 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.287 -12.861 -3.929 1.00 0.00 O ATOM 573 NE2 GLN A 38 6.598 -12.400 -6.104 1.00 0.00 N ATOM 0 H GLN A 38 6.178 -9.442 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 38 8.714 -8.409 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.709 -9.933 -5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.445 -9.853 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.843 -11.495 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.715 -10.837 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.075 -11.830 -6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.939 -13.122 -6.397 1.00 0.00 H new ATOM 582 N LYS A 39 6.053 -7.085 -5.525 1.00 0.00 N ATOM 583 CA LYS A 39 5.579 -5.986 -6.359 1.00 0.00 C ATOM 584 C LYS A 39 5.891 -4.640 -5.713 1.00 0.00 C ATOM 585 O LYS A 39 6.304 -3.698 -6.389 1.00 0.00 O ATOM 586 CB LYS A 39 4.071 -6.116 -6.598 1.00 0.00 C ATOM 587 CG LYS A 39 3.720 -6.687 -7.962 1.00 0.00 C ATOM 588 CD LYS A 39 3.794 -8.206 -7.965 1.00 0.00 C ATOM 589 CE LYS A 39 3.412 -8.779 -9.320 1.00 0.00 C ATOM 590 NZ LYS A 39 4.598 -8.949 -10.205 1.00 0.00 N ATOM 0 H LYS A 39 5.317 -7.582 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 39 6.098 -6.037 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.642 -6.754 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.609 -5.134 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.716 -6.370 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.402 -6.287 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.804 -8.523 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.129 -8.605 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.921 -9.742 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.690 -8.120 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.296 -9.342 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.052 -8.026 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.276 -9.598 -9.756 1.00 0.00 H new ATOM 604 N LEU A 40 5.692 -4.558 -4.402 1.00 0.00 N ATOM 605 CA LEU A 40 5.953 -3.327 -3.665 1.00 0.00 C ATOM 606 C LEU A 40 7.452 -3.084 -3.524 1.00 0.00 C ATOM 607 O LEU A 40 7.939 -1.983 -3.780 1.00 0.00 O ATOM 608 CB LEU A 40 5.302 -3.388 -2.282 1.00 0.00 C ATOM 609 CG LEU A 40 3.773 -3.413 -2.286 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.239 -3.711 -0.894 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.221 -2.092 -2.800 1.00 0.00 C ATOM 0 H LEU A 40 5.351 -5.329 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 40 5.521 -2.499 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.663 -4.278 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.634 -2.527 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 40 3.443 -4.208 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.149 -3.725 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.607 -4.682 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.577 -2.940 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.132 -2.127 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.560 -1.281 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.575 -1.921 -3.817 1.00 0.00 H new ATOM 623 N GLY A 41 8.179 -4.118 -3.114 1.00 0.00 N ATOM 624 CA GLY A 41 9.615 -3.995 -2.946 1.00 0.00 C ATOM 625 C GLY A 41 10.140 -4.800 -1.772 1.00 0.00 C ATOM 626 O GLY A 41 11.340 -5.056 -1.674 1.00 0.00 O ATOM 0 H GLY A 41 7.799 -5.039 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.113 -4.324 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.871 -2.945 -2.804 1.00 0.00 H new ATOM 630 N LEU A 42 9.241 -5.200 -0.875 1.00 0.00 N ATOM 631 CA LEU A 42 9.625 -5.978 0.296 1.00 0.00 C ATOM 632 C LEU A 42 9.620 -7.473 -0.015 1.00 0.00 C ATOM 633 O LEU A 42 8.988 -8.263 0.688 1.00 0.00 O ATOM 634 CB LEU A 42 8.680 -5.682 1.463 1.00 0.00 C ATOM 635 CG LEU A 42 8.430 -4.197 1.731 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.997 -3.969 2.184 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.408 -3.674 2.773 1.00 0.00 C ATOM 0 H LEU A 42 8.243 -4.997 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 42 10.638 -5.689 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.723 -6.167 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.089 -6.135 2.366 1.00 0.00 H new ATOM 0 HG LEU A 42 8.587 -3.648 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.839 -2.907 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.312 -4.308 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.812 -4.529 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.217 -2.616 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.280 -4.229 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.428 -3.802 2.411 1.00 0.00 H new ATOM 649 N GLY A 43 10.329 -7.855 -1.072 1.00 0.00 N ATOM 650 CA GLY A 43 10.394 -9.252 -1.456 1.00 0.00 C ATOM 651 C GLY A 43 11.401 -10.032 -0.634 1.00 0.00 C ATOM 652 O GLY A 43 11.191 -11.208 -0.334 1.00 0.00 O ATOM 0 H GLY A 43 10.860 -7.221 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.408 -9.703 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.657 -9.324 -2.511 1.00 0.00 H new ATOM 656 N ILE A 44 12.498 -9.376 -0.270 1.00 0.00 N ATOM 657 CA ILE A 44 13.542 -10.014 0.524 1.00 0.00 C ATOM 658 C ILE A 44 13.087 -10.234 1.964 1.00 0.00 C ATOM 659 O ILE A 44 13.634 -11.079 2.674 1.00 0.00 O ATOM 660 CB ILE A 44 14.837 -9.175 0.522 1.00 0.00 C ATOM 661 CG1 ILE A 44 15.948 -9.905 1.281 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.584 -7.802 1.128 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.335 -9.390 0.966 1.00 0.00 C ATOM 0 H ILE A 44 12.687 -8.403 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 44 13.744 -10.981 0.064 1.00 0.00 H new ATOM 0 HB ILE A 44 15.159 -9.038 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.768 -9.810 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.901 -10.968 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.508 -7.224 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.824 -7.281 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.238 -7.916 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.071 -9.953 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.535 -9.511 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.400 -8.334 1.230 1.00 0.00 H new ATOM 675 N LEU A 45 12.083 -9.473 2.392 1.00 0.00 N ATOM 676 CA LEU A 45 11.559 -9.591 3.748 1.00 0.00 C ATOM 677 C LEU A 45 10.327 -10.490 3.783 1.00 0.00 C ATOM 678 O LEU A 45 9.438 -10.309 4.615 1.00 0.00 O ATOM 679 CB LEU A 45 11.209 -8.209 4.304 1.00 0.00 C ATOM 680 CG LEU A 45 12.375 -7.220 4.364 1.00 0.00 C ATOM 681 CD1 LEU A 45 11.871 -5.823 4.689 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.403 -7.672 5.389 1.00 0.00 C ATOM 0 H LEU A 45 11.617 -8.769 1.819 1.00 0.00 H new ATOM 0 HA LEU A 45 12.333 -10.042 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.418 -7.777 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.804 -8.330 5.308 1.00 0.00 H new ATOM 0 HG LEU A 45 12.856 -7.192 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.713 -5.132 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.172 -5.500 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.366 -5.834 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.226 -6.957 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.936 -7.729 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.786 -8.654 5.112 1.00 0.00 H new ATOM 694 N ASN A 46 10.280 -11.460 2.875 1.00 0.00 N ATOM 695 CA ASN A 46 9.156 -12.386 2.804 1.00 0.00 C ATOM 696 C ASN A 46 9.163 -13.341 3.993 1.00 0.00 C ATOM 697 O ASN A 46 8.111 -13.779 4.457 1.00 0.00 O ATOM 698 CB ASN A 46 9.204 -13.178 1.495 1.00 0.00 C ATOM 699 CG ASN A 46 7.844 -13.285 0.835 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.902 -13.830 1.411 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.734 -12.764 -0.382 1.00 0.00 N ATOM 0 H ASN A 46 11.007 -11.625 2.179 1.00 0.00 H new ATOM 0 HA ASN A 46 8.234 -11.805 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.901 -12.698 0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.589 -14.178 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.843 -12.806 -0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.541 -12.321 -0.822 1.00 0.00 H new ATOM 708 N ASN A 47 10.357 -13.660 4.482 1.00 0.00 N ATOM 709 CA ASN A 47 10.502 -14.563 5.618 1.00 0.00 C ATOM 710 C ASN A 47 10.016 -13.901 6.905 1.00 0.00 C ATOM 711 O ASN A 47 9.506 -14.568 7.803 1.00 0.00 O ATOM 712 CB ASN A 47 11.962 -14.992 5.772 1.00 0.00 C ATOM 713 CG ASN A 47 12.915 -13.814 5.769 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.738 -12.856 6.521 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.933 -13.878 4.919 1.00 0.00 N ATOM 0 H ASN A 47 11.238 -13.307 4.109 1.00 0.00 H new ATOM 0 HA ASN A 47 9.889 -15.445 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.078 -15.547 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.226 -15.671 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.607 -13.114 4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.041 -14.692 4.314 1.00 0.00 H new ATOM 722 N ALA A 48 10.179 -12.584 6.984 1.00 0.00 N ATOM 723 CA ALA A 48 9.757 -11.833 8.159 1.00 0.00 C ATOM 724 C ALA A 48 8.238 -11.833 8.294 1.00 0.00 C ATOM 725 O ALA A 48 7.702 -12.056 9.379 1.00 0.00 O ATOM 726 CB ALA A 48 10.282 -10.406 8.089 1.00 0.00 C ATOM 0 H ALA A 48 10.600 -12.016 6.249 1.00 0.00 H new ATOM 0 HA ALA A 48 10.174 -12.320 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.959 -9.856 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.371 -10.421 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.892 -9.918 7.196 1.00 0.00 H new ATOM 732 N PHE A 49 7.551 -11.583 7.184 1.00 0.00 N ATOM 733 CA PHE A 49 6.093 -11.556 7.179 1.00 0.00 C ATOM 734 C PHE A 49 5.521 -12.950 7.411 1.00 0.00 C ATOM 735 O PHE A 49 4.524 -13.114 8.113 1.00 0.00 O ATOM 736 CB PHE A 49 5.577 -10.996 5.851 1.00 0.00 C ATOM 737 CG PHE A 49 6.284 -9.747 5.411 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.416 -8.669 6.272 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.817 -9.649 4.135 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.065 -7.517 5.869 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.468 -8.501 3.727 1.00 0.00 C ATOM 742 CZ PHE A 49 7.592 -7.433 4.595 1.00 0.00 C ATOM 0 H PHE A 49 7.980 -11.396 6.278 1.00 0.00 H new ATOM 0 HA PHE A 49 5.765 -10.908 7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.686 -11.757 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.511 -10.787 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.007 -8.730 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.722 -10.480 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.160 -6.684 6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.880 -8.438 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.100 -6.534 4.278 1.00 0.00 H new ATOM 752 N ARG A 50 6.160 -13.952 6.817 1.00 0.00 N ATOM 753 CA ARG A 50 5.715 -15.334 6.960 1.00 0.00 C ATOM 754 C ARG A 50 5.761 -15.772 8.419 1.00 0.00 C ATOM 755 O ARG A 50 4.879 -16.489 8.890 1.00 0.00 O ATOM 756 CB ARG A 50 6.583 -16.262 6.108 1.00 0.00 C ATOM 757 CG ARG A 50 5.859 -17.516 5.645 1.00 0.00 C ATOM 758 CD ARG A 50 6.806 -18.487 4.957 1.00 0.00 C ATOM 759 NE ARG A 50 6.562 -18.561 3.517 1.00 0.00 N ATOM 760 CZ ARG A 50 7.438 -19.048 2.641 1.00 0.00 C ATOM 761 NH1 ARG A 50 8.616 -19.501 3.052 1.00 0.00 N ATOM 762 NH2 ARG A 50 7.136 -19.079 1.351 1.00 0.00 N ATOM 0 H ARG A 50 6.987 -13.834 6.232 1.00 0.00 H new ATOM 0 HA ARG A 50 4.683 -15.395 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.938 -15.714 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.463 -16.552 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.394 -18.005 6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.057 -17.242 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.836 -18.177 5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.691 -19.478 5.396 1.00 0.00 H new ATOM 0 HE ARG A 50 5.668 -18.219 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.854 -19.477 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.283 -19.873 2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.233 -18.730 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.807 -19.452 0.679 1.00 0.00 H new ATOM 776 N LEU A 51 6.795 -15.337 9.131 1.00 0.00 N ATOM 777 CA LEU A 51 6.956 -15.684 10.538 1.00 0.00 C ATOM 778 C LEU A 51 5.927 -14.957 11.398 1.00 0.00 C ATOM 779 O LEU A 51 5.376 -15.527 12.340 1.00 0.00 O ATOM 780 CB LEU A 51 8.369 -15.342 11.012 1.00 0.00 C ATOM 781 CG LEU A 51 9.451 -16.340 10.595 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.828 -15.825 10.981 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.192 -17.699 11.225 1.00 0.00 C ATOM 0 H LEU A 51 7.535 -14.743 8.756 1.00 0.00 H new ATOM 0 HA LEU A 51 6.797 -16.757 10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.636 -14.358 10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.363 -15.269 12.100 1.00 0.00 H new ATOM 0 HG LEU A 51 9.418 -16.452 9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.585 -16.548 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.013 -14.874 10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.874 -15.684 12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.971 -18.397 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.198 -17.604 12.311 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.221 -18.072 10.899 1.00 0.00 H new ATOM 795 N SER A 52 5.672 -13.695 11.068 1.00 0.00 N ATOM 796 CA SER A 52 4.708 -12.891 11.810 1.00 0.00 C ATOM 797 C SER A 52 3.316 -13.513 11.744 1.00 0.00 C ATOM 798 O SER A 52 2.961 -14.154 10.754 1.00 0.00 O ATOM 799 CB SER A 52 4.671 -11.464 11.258 1.00 0.00 C ATOM 800 OG SER A 52 5.872 -10.772 11.549 1.00 0.00 O ATOM 0 H SER A 52 6.119 -13.207 10.292 1.00 0.00 H new ATOM 0 HA SER A 52 5.023 -12.861 12.853 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.516 -11.492 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.825 -10.927 11.687 1.00 0.00 H new ATOM 0 HG SER A 52 6.577 -11.069 10.937 1.00 0.00 H new ATOM 806 N PRO A 53 2.505 -13.332 12.801 1.00 0.00 N ATOM 807 CA PRO A 53 1.146 -13.880 12.856 1.00 0.00 C ATOM 808 C PRO A 53 0.318 -13.496 11.634 1.00 0.00 C ATOM 809 O PRO A 53 -0.417 -14.317 11.086 1.00 0.00 O ATOM 810 CB PRO A 53 0.557 -13.251 14.120 1.00 0.00 C ATOM 811 CG PRO A 53 1.738 -12.934 14.971 1.00 0.00 C ATOM 812 CD PRO A 53 2.850 -12.581 14.022 1.00 0.00 C ATOM 0 HA PRO A 53 1.147 -14.970 12.869 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.015 -12.353 13.886 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.122 -13.938 14.625 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.522 -12.105 15.645 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.011 -13.787 15.592 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.894 -11.508 13.835 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.823 -12.876 14.415 1.00 0.00 H new ATOM 820 N ALA A 54 0.441 -12.240 11.213 1.00 0.00 N ATOM 821 CA ALA A 54 -0.297 -11.747 10.056 1.00 0.00 C ATOM 822 C ALA A 54 0.650 -11.175 9.004 1.00 0.00 C ATOM 823 O ALA A 54 0.947 -9.981 9.007 1.00 0.00 O ATOM 824 CB ALA A 54 -1.308 -10.695 10.487 1.00 0.00 C ATOM 0 H ALA A 54 1.044 -11.547 11.656 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.830 -12.586 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.853 -10.335 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.009 -11.134 11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.787 -9.862 10.959 1.00 0.00 H new ATOM 830 N PRO A 55 1.138 -12.026 8.084 1.00 0.00 N ATOM 831 CA PRO A 55 2.057 -11.599 7.023 1.00 0.00 C ATOM 832 C PRO A 55 1.526 -10.400 6.246 1.00 0.00 C ATOM 833 O PRO A 55 2.283 -9.503 5.876 1.00 0.00 O ATOM 834 CB PRO A 55 2.146 -12.828 6.114 1.00 0.00 C ATOM 835 CG PRO A 55 1.829 -13.980 7.002 1.00 0.00 C ATOM 836 CD PRO A 55 0.835 -13.468 8.008 1.00 0.00 C ATOM 0 HA PRO A 55 3.019 -11.277 7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.440 -12.760 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.140 -12.926 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.413 -14.810 6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.727 -14.351 7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.191 -13.647 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.955 -13.955 8.976 1.00 0.00 H new ATOM 844 N SER A 56 0.219 -10.389 6.002 1.00 0.00 N ATOM 845 CA SER A 56 -0.412 -9.298 5.269 1.00 0.00 C ATOM 846 C SER A 56 -0.359 -8.003 6.072 1.00 0.00 C ATOM 847 O SER A 56 -0.197 -6.919 5.510 1.00 0.00 O ATOM 848 CB SER A 56 -1.864 -9.650 4.941 1.00 0.00 C ATOM 849 OG SER A 56 -2.474 -10.353 6.010 1.00 0.00 O ATOM 0 H SER A 56 -0.423 -11.123 6.301 1.00 0.00 H new ATOM 0 HA SER A 56 0.138 -9.151 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.425 -8.738 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.899 -10.257 4.036 1.00 0.00 H new ATOM 0 HG SER A 56 -3.402 -10.564 5.775 1.00 0.00 H new ATOM 855 N LYS A 57 -0.496 -8.122 7.388 1.00 0.00 N ATOM 856 CA LYS A 57 -0.463 -6.961 8.269 1.00 0.00 C ATOM 857 C LYS A 57 0.967 -6.469 8.467 1.00 0.00 C ATOM 858 O LYS A 57 1.222 -5.265 8.492 1.00 0.00 O ATOM 859 CB LYS A 57 -1.089 -7.302 9.622 1.00 0.00 C ATOM 860 CG LYS A 57 -1.704 -6.104 10.327 1.00 0.00 C ATOM 861 CD LYS A 57 -1.923 -6.380 11.807 1.00 0.00 C ATOM 862 CE LYS A 57 -3.143 -5.645 12.338 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.160 -6.583 12.890 1.00 0.00 N ATOM 0 H LYS A 57 -0.631 -9.012 7.868 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.041 -6.165 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.857 -8.061 9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.326 -7.740 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.053 -5.238 10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.655 -5.853 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.046 -7.452 11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.040 -6.075 12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.835 -4.945 13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.589 -5.056 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.976 -6.043 13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.473 -7.235 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.742 -7.127 13.672 1.00 0.00 H new ATOM 877 N THR A 58 1.897 -7.408 8.606 1.00 0.00 N ATOM 878 CA THR A 58 3.302 -7.069 8.801 1.00 0.00 C ATOM 879 C THR A 58 3.863 -6.351 7.579 1.00 0.00 C ATOM 880 O THR A 58 4.749 -5.504 7.696 1.00 0.00 O ATOM 881 CB THR A 58 4.119 -8.332 9.084 1.00 0.00 C ATOM 882 OG1 THR A 58 3.458 -9.155 10.029 1.00 0.00 O ATOM 883 CG2 THR A 58 5.504 -8.040 9.618 1.00 0.00 C ATOM 0 H THR A 58 1.703 -8.409 8.587 1.00 0.00 H new ATOM 0 HA THR A 58 3.372 -6.399 9.658 1.00 0.00 H new ATOM 0 HB THR A 58 4.217 -8.836 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.670 -9.563 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.030 -8.978 9.797 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.057 -7.447 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.424 -7.484 10.552 1.00 0.00 H new ATOM 891 N LEU A 59 3.340 -6.693 6.406 1.00 0.00 N ATOM 892 CA LEU A 59 3.788 -6.079 5.161 1.00 0.00 C ATOM 893 C LEU A 59 3.554 -4.572 5.182 1.00 0.00 C ATOM 894 O LEU A 59 4.475 -3.787 4.958 1.00 0.00 O ATOM 895 CB LEU A 59 3.061 -6.703 3.969 1.00 0.00 C ATOM 896 CG LEU A 59 3.732 -6.480 2.612 1.00 0.00 C ATOM 897 CD1 LEU A 59 4.995 -7.319 2.497 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.767 -6.806 1.482 1.00 0.00 C ATOM 0 H LEU A 59 2.606 -7.392 6.291 1.00 0.00 H new ATOM 0 HA LEU A 59 4.858 -6.261 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.969 -7.776 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.049 -6.299 3.928 1.00 0.00 H new ATOM 0 HG LEU A 59 4.011 -5.429 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.459 -7.147 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.692 -7.038 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.741 -8.374 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.260 -6.642 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.458 -7.848 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.891 -6.161 1.554 1.00 0.00 H new ATOM 910 N MET A 60 2.315 -4.175 5.453 1.00 0.00 N ATOM 911 CA MET A 60 1.958 -2.761 5.503 1.00 0.00 C ATOM 912 C MET A 60 2.722 -2.047 6.614 1.00 0.00 C ATOM 913 O MET A 60 3.032 -0.861 6.505 1.00 0.00 O ATOM 914 CB MET A 60 0.453 -2.601 5.719 1.00 0.00 C ATOM 915 CG MET A 60 -0.386 -3.118 4.562 1.00 0.00 C ATOM 916 SD MET A 60 0.021 -2.319 2.998 1.00 0.00 S ATOM 917 CE MET A 60 -0.623 -3.513 1.829 1.00 0.00 C ATOM 0 H MET A 60 1.541 -4.812 5.641 1.00 0.00 H new ATOM 0 HA MET A 60 2.231 -2.309 4.550 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.167 -3.129 6.629 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.227 -1.547 5.878 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.240 -4.194 4.465 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.441 -2.958 4.783 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.057 -3.595 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.716 -4.484 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.603 -3.187 1.479 1.00 0.00 H new ATOM 927 N ASP A 61 3.022 -2.779 7.683 1.00 0.00 N ATOM 928 CA ASP A 61 3.750 -2.215 8.815 1.00 0.00 C ATOM 929 C ASP A 61 5.208 -1.959 8.449 1.00 0.00 C ATOM 930 O ASP A 61 5.824 -1.013 8.938 1.00 0.00 O ATOM 931 CB ASP A 61 3.667 -3.156 10.019 1.00 0.00 C ATOM 932 CG ASP A 61 3.327 -2.424 11.302 1.00 0.00 C ATOM 933 OD1 ASP A 61 4.048 -1.464 11.647 1.00 0.00 O ATOM 934 OD2 ASP A 61 2.340 -2.811 11.962 1.00 0.00 O ATOM 0 H ASP A 61 2.773 -3.762 7.789 1.00 0.00 H new ATOM 0 HA ASP A 61 3.289 -1.262 9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.913 -3.919 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.619 -3.672 10.140 1.00 0.00 H new ATOM 939 N ASN A 62 5.754 -2.811 7.587 1.00 0.00 N ATOM 940 CA ASN A 62 7.141 -2.677 7.155 1.00 0.00 C ATOM 941 C ASN A 62 7.253 -1.716 5.975 1.00 0.00 C ATOM 942 O ASN A 62 8.254 -1.016 5.824 1.00 0.00 O ATOM 943 CB ASN A 62 7.712 -4.043 6.773 1.00 0.00 C ATOM 944 CG ASN A 62 8.258 -4.797 7.970 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.446 -5.117 8.027 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.392 -5.083 8.934 1.00 0.00 N ATOM 0 H ASN A 62 5.258 -3.601 7.174 1.00 0.00 H new ATOM 0 HA ASN A 62 7.717 -2.271 7.986 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.934 -4.639 6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.506 -3.909 6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.702 -5.588 9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.417 -4.798 8.844 1.00 0.00 H new ATOM 953 N TYR A 63 6.219 -1.691 5.141 1.00 0.00 N ATOM 954 CA TYR A 63 6.201 -0.817 3.973 1.00 0.00 C ATOM 955 C TYR A 63 6.048 0.643 4.388 1.00 0.00 C ATOM 956 O TYR A 63 6.594 1.541 3.748 1.00 0.00 O ATOM 957 CB TYR A 63 5.062 -1.213 3.032 1.00 0.00 C ATOM 958 CG TYR A 63 5.184 -0.618 1.647 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.381 -0.686 0.945 1.00 0.00 C ATOM 960 CD2 TYR A 63 4.103 0.011 1.042 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.498 -0.143 -0.321 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.212 0.555 -0.224 1.00 0.00 C ATOM 963 CZ TYR A 63 5.411 0.476 -0.900 1.00 0.00 C ATOM 964 OH TYR A 63 5.522 1.017 -2.160 1.00 0.00 O ATOM 0 H TYR A 63 5.383 -2.265 5.252 1.00 0.00 H new ATOM 0 HA TYR A 63 7.151 -0.930 3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.031 -2.299 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.115 -0.900 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.234 -1.171 1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.163 0.076 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.436 -0.203 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.362 1.040 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 63 6.183 0.510 -2.677 1.00 0.00 H new ATOM 974 N GLU A 64 5.303 0.871 5.465 1.00 0.00 N ATOM 975 CA GLU A 64 5.078 2.222 5.968 1.00 0.00 C ATOM 976 C GLU A 64 6.362 2.807 6.546 1.00 0.00 C ATOM 977 O GLU A 64 6.604 4.011 6.454 1.00 0.00 O ATOM 978 CB GLU A 64 3.981 2.216 7.034 1.00 0.00 C ATOM 979 CG GLU A 64 3.662 3.596 7.585 1.00 0.00 C ATOM 980 CD GLU A 64 3.015 3.540 8.955 1.00 0.00 C ATOM 981 OE1 GLU A 64 2.077 2.736 9.137 1.00 0.00 O ATOM 982 OE2 GLU A 64 3.446 4.302 9.846 1.00 0.00 O ATOM 0 H GLU A 64 4.845 0.138 6.006 1.00 0.00 H new ATOM 0 HA GLU A 64 4.759 2.846 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.075 1.785 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.287 1.568 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.580 4.181 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.997 4.115 6.894 1.00 0.00 H new ATOM 989 N VAL A 65 7.183 1.948 7.141 1.00 0.00 N ATOM 990 CA VAL A 65 8.443 2.380 7.734 1.00 0.00 C ATOM 991 C VAL A 65 9.376 2.961 6.677 1.00 0.00 C ATOM 992 O VAL A 65 10.184 3.844 6.965 1.00 0.00 O ATOM 993 CB VAL A 65 9.156 1.218 8.451 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.386 1.719 9.191 1.00 0.00 C ATOM 995 CG2 VAL A 65 8.203 0.510 9.403 1.00 0.00 C ATOM 0 H VAL A 65 6.998 0.948 7.225 1.00 0.00 H new ATOM 0 HA VAL A 65 8.200 3.151 8.465 1.00 0.00 H new ATOM 0 HB VAL A 65 9.482 0.499 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.875 0.883 9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.078 2.173 8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.088 2.461 9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.726 -0.308 9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.843 1.217 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.357 0.112 8.842 1.00 0.00 H new ATOM 1005 N SER A 66 9.260 2.460 5.451 1.00 0.00 N ATOM 1006 CA SER A 66 10.094 2.930 4.351 1.00 0.00 C ATOM 1007 C SER A 66 9.349 3.953 3.500 1.00 0.00 C ATOM 1008 O SER A 66 9.589 4.067 2.298 1.00 0.00 O ATOM 1009 CB SER A 66 10.538 1.752 3.482 1.00 0.00 C ATOM 1010 OG SER A 66 11.358 0.857 4.213 1.00 0.00 O ATOM 0 H SER A 66 8.597 1.729 5.195 1.00 0.00 H new ATOM 0 HA SER A 66 10.974 3.412 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.662 1.223 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.083 2.122 2.614 1.00 0.00 H new ATOM 0 HG SER A 66 11.626 0.113 3.635 1.00 0.00 H new ATOM 1016 N GLY A 67 8.446 4.696 4.131 1.00 0.00 N ATOM 1017 CA GLY A 67 7.681 5.701 3.415 1.00 0.00 C ATOM 1018 C GLY A 67 6.886 5.115 2.265 1.00 0.00 C ATOM 1019 O GLY A 67 7.145 5.424 1.102 1.00 0.00 O ATOM 0 H GLY A 67 8.230 4.621 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.001 6.197 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.358 6.464 3.032 1.00 0.00 H new ATOM 1023 N GLY A 68 5.914 4.270 2.590 1.00 0.00 N ATOM 1024 CA GLY A 68 5.092 3.654 1.565 1.00 0.00 C ATOM 1025 C GLY A 68 4.124 4.633 0.931 1.00 0.00 C ATOM 1026 O GLY A 68 3.620 5.537 1.598 1.00 0.00 O ATOM 0 H GLY A 68 5.680 4.000 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.735 3.232 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.533 2.826 2.001 1.00 0.00 H new ATOM 1030 N THR A 69 3.864 4.454 -0.360 1.00 0.00 N ATOM 1031 CA THR A 69 2.949 5.329 -1.085 1.00 0.00 C ATOM 1032 C THR A 69 1.713 4.564 -1.543 1.00 0.00 C ATOM 1033 O THR A 69 1.744 3.341 -1.682 1.00 0.00 O ATOM 1034 CB THR A 69 3.655 5.951 -2.291 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.404 4.975 -2.992 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.598 7.075 -1.918 1.00 0.00 C ATOM 0 H THR A 69 4.274 3.711 -0.926 1.00 0.00 H new ATOM 0 HA THR A 69 2.632 6.123 -0.409 1.00 0.00 H new ATOM 0 HB THR A 69 2.859 6.359 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.847 5.392 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.066 7.472 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.040 7.868 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.368 6.696 -1.246 1.00 0.00 H new ATOM 1044 N VAL A 70 0.626 5.292 -1.775 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.623 4.680 -2.218 1.00 0.00 C ATOM 1046 C VAL A 70 -0.535 4.250 -3.679 1.00 0.00 C ATOM 1047 O VAL A 70 -1.072 3.212 -4.063 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.813 5.645 -2.049 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.122 4.943 -2.374 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.842 6.216 -0.639 1.00 0.00 C ATOM 0 H VAL A 70 0.584 6.305 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.785 3.803 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.688 6.471 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.950 5.641 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.099 4.589 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.257 4.096 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.689 6.895 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.941 5.403 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.917 6.759 -0.447 1.00 0.00 H new ATOM 1060 N ARG A 71 0.144 5.056 -4.489 1.00 0.00 N ATOM 1061 CA ARG A 71 0.301 4.758 -5.908 1.00 0.00 C ATOM 1062 C ARG A 71 0.977 3.404 -6.109 1.00 0.00 C ATOM 1063 O ARG A 71 0.701 2.700 -7.080 1.00 0.00 O ATOM 1064 CB ARG A 71 1.115 5.855 -6.595 1.00 0.00 C ATOM 1065 CG ARG A 71 0.264 6.987 -7.150 1.00 0.00 C ATOM 1066 CD ARG A 71 0.075 6.857 -8.654 1.00 0.00 C ATOM 1067 NE ARG A 71 -1.277 7.228 -9.070 1.00 0.00 N ATOM 1068 CZ ARG A 71 -2.324 6.409 -9.012 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -2.184 5.171 -8.552 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -3.515 6.828 -9.415 1.00 0.00 N ATOM 0 H ARG A 71 0.594 5.920 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.692 4.718 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.831 6.265 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.692 5.413 -7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.709 6.987 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.736 7.943 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.799 7.491 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.279 5.830 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.426 8.172 -9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.270 4.843 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.991 4.548 -8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.628 7.778 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.318 6.201 -9.371 1.00 0.00 H new ATOM 1084 N GLU A 72 1.862 3.048 -5.184 1.00 0.00 N ATOM 1085 CA GLU A 72 2.575 1.778 -5.260 1.00 0.00 C ATOM 1086 C GLU A 72 1.647 0.616 -4.926 1.00 0.00 C ATOM 1087 O GLU A 72 1.803 -0.488 -5.449 1.00 0.00 O ATOM 1088 CB GLU A 72 3.772 1.782 -4.307 1.00 0.00 C ATOM 1089 CG GLU A 72 5.038 2.352 -4.923 1.00 0.00 C ATOM 1090 CD GLU A 72 5.674 1.407 -5.924 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.378 0.470 -5.493 1.00 0.00 O ATOM 1092 OE2 GLU A 72 5.469 1.605 -7.141 1.00 0.00 O ATOM 0 H GLU A 72 2.102 3.620 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 72 2.935 1.651 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.517 2.361 -3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.966 0.762 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.805 3.296 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.755 2.574 -4.132 1.00 0.00 H new ATOM 1099 N LEU A 73 0.679 0.871 -4.051 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.277 -0.153 -3.648 1.00 0.00 C ATOM 1101 C LEU A 73 -1.316 -0.385 -4.739 1.00 0.00 C ATOM 1102 O LEU A 73 -1.670 -1.525 -5.042 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.969 0.251 -2.345 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.686 -0.886 -1.615 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.690 -1.944 -1.168 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.465 -0.347 -0.424 1.00 0.00 C ATOM 0 H LEU A 73 0.536 1.779 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 73 0.269 -1.083 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.225 0.681 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.693 1.036 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.391 -1.349 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.218 -2.745 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.176 -2.351 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.039 -1.495 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.969 -1.170 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.779 0.141 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.206 0.374 -0.770 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.801 0.704 -5.328 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.798 0.619 -6.387 1.00 0.00 C ATOM 1120 C VAL A 74 -2.209 -0.006 -7.647 1.00 0.00 C ATOM 1121 O VAL A 74 -2.901 -0.707 -8.386 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.369 2.008 -6.735 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.537 1.879 -7.700 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.788 2.745 -5.471 1.00 0.00 C ATOM 0 H VAL A 74 -1.519 1.655 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.603 -0.013 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.588 2.590 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.927 2.870 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.200 1.396 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.323 1.279 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.189 3.723 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.553 2.169 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.923 2.871 -4.820 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.927 0.254 -7.885 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.244 -0.285 -9.055 1.00 0.00 C ATOM 1136 C GLU A 75 0.134 -1.747 -8.837 1.00 0.00 C ATOM 1137 O GLU A 75 -0.092 -2.593 -9.702 1.00 0.00 O ATOM 1138 CB GLU A 75 1.007 0.538 -9.365 1.00 0.00 C ATOM 1139 CG GLU A 75 0.760 1.678 -10.339 1.00 0.00 C ATOM 1140 CD GLU A 75 2.030 2.418 -10.707 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.876 2.626 -9.812 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.181 2.789 -11.890 1.00 0.00 O ATOM 0 H GLU A 75 -0.341 0.834 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.926 -0.227 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.403 0.945 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.772 -0.121 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.299 1.283 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.050 2.379 -9.899 1.00 0.00 H new ATOM 1149 N ALA A 76 0.712 -2.036 -7.675 1.00 0.00 N ATOM 1150 CA ALA A 76 1.121 -3.395 -7.342 1.00 0.00 C ATOM 1151 C ALA A 76 -0.073 -4.342 -7.349 1.00 0.00 C ATOM 1152 O ALA A 76 0.012 -5.460 -7.859 1.00 0.00 O ATOM 1153 CB ALA A 76 1.810 -3.421 -5.987 1.00 0.00 C ATOM 0 H ALA A 76 0.907 -1.347 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 76 1.826 -3.734 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.110 -4.442 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.692 -2.781 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.123 -3.059 -5.222 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.185 -3.889 -6.780 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.398 -4.697 -6.722 1.00 0.00 C ATOM 1161 C LEU A 77 -2.883 -5.050 -8.124 1.00 0.00 C ATOM 1162 O LEU A 77 -3.477 -6.106 -8.338 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.496 -3.951 -5.962 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.319 -3.910 -4.442 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.253 -2.882 -3.824 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.566 -5.285 -3.842 1.00 0.00 C ATOM 0 H LEU A 77 -1.272 -2.967 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.165 -5.622 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.544 -2.928 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.455 -4.418 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.293 -3.617 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.113 -2.867 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.031 -1.896 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.286 -3.145 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.436 -5.239 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.582 -5.605 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.857 -5.998 -4.262 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.626 -4.159 -9.076 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.036 -4.377 -10.458 1.00 0.00 C ATOM 1180 C ARG A 78 -2.103 -5.365 -11.152 1.00 0.00 C ATOM 1181 O ARG A 78 -2.539 -6.182 -11.963 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.054 -3.051 -11.221 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.235 -2.910 -12.167 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.669 -1.459 -12.304 1.00 0.00 C ATOM 1185 NE ARG A 78 -4.136 -0.842 -13.516 1.00 0.00 N ATOM 1186 CZ ARG A 78 -4.653 -1.022 -14.729 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -5.716 -1.800 -14.897 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -4.107 -0.423 -15.779 1.00 0.00 N ATOM 0 H ARG A 78 -2.136 -3.279 -8.915 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.041 -4.798 -10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.073 -2.229 -10.505 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.129 -2.956 -11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.967 -3.305 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.070 -3.507 -11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.758 -1.406 -12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.334 -0.896 -11.433 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.319 -0.237 -13.427 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.141 -2.264 -14.094 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.108 -1.934 -15.829 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.290 0.176 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.504 -0.561 -16.708 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.817 -5.285 -10.826 1.00 0.00 N ATOM 1203 CA GLN A 79 0.178 -6.173 -11.417 1.00 0.00 C ATOM 1204 C GLN A 79 -0.135 -7.630 -11.094 1.00 0.00 C ATOM 1205 O GLN A 79 0.007 -8.509 -11.943 1.00 0.00 O ATOM 1206 CB GLN A 79 1.577 -5.815 -10.910 1.00 0.00 C ATOM 1207 CG GLN A 79 1.961 -4.365 -11.156 1.00 0.00 C ATOM 1208 CD GLN A 79 3.438 -4.197 -11.454 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.145 -5.168 -11.719 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.912 -2.956 -11.409 1.00 0.00 N ATOM 0 H GLN A 79 -0.439 -4.615 -10.156 1.00 0.00 H new ATOM 0 HA GLN A 79 0.148 -6.044 -12.499 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.630 -6.020 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.307 -6.463 -11.395 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.379 -3.975 -11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.701 -3.770 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.289 -2.180 -11.185 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.899 -2.780 -11.599 1.00 0.00 H new ATOM 1219 N MET A 80 -0.563 -7.878 -9.861 1.00 0.00 N ATOM 1220 CA MET A 80 -0.897 -9.229 -9.425 1.00 0.00 C ATOM 1221 C MET A 80 -2.239 -9.669 -9.999 1.00 0.00 C ATOM 1222 O MET A 80 -2.333 -10.701 -10.663 1.00 0.00 O ATOM 1223 CB MET A 80 -0.935 -9.299 -7.897 1.00 0.00 C ATOM 1224 CG MET A 80 0.442 -9.312 -7.253 1.00 0.00 C ATOM 1225 SD MET A 80 0.372 -9.120 -5.462 1.00 0.00 S ATOM 1226 CE MET A 80 -0.930 -10.277 -5.046 1.00 0.00 C ATOM 0 H MET A 80 -0.687 -7.161 -9.146 1.00 0.00 H new ATOM 0 HA MET A 80 -0.125 -9.905 -9.794 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.497 -8.446 -7.517 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.476 -10.196 -7.596 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.943 -10.249 -7.495 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.045 -8.509 -7.677 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.030 -10.338 -3.962 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.871 -9.937 -5.479 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.683 -11.261 -5.443 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.276 -8.878 -9.740 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.599 -9.202 -10.239 1.00 0.00 C ATOM 1238 C GLY A 81 -5.682 -8.969 -9.204 1.00 0.00 C ATOM 1239 O GLY A 81 -6.572 -9.802 -9.029 1.00 0.00 O ATOM 0 H GLY A 81 -3.223 -8.019 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.809 -8.598 -11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.620 -10.245 -10.554 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.607 -7.834 -8.516 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.588 -7.493 -7.493 1.00 0.00 C ATOM 1245 C TYR A 82 -7.561 -6.436 -8.002 1.00 0.00 C ATOM 1246 O TYR A 82 -7.152 -5.361 -8.443 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.885 -6.991 -6.230 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.658 -8.070 -5.194 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.729 -8.730 -4.604 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.373 -8.427 -4.806 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.525 -9.715 -3.656 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.161 -9.411 -3.859 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.240 -10.052 -3.287 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.034 -11.032 -2.344 1.00 0.00 O ATOM 0 H TYR A 82 -4.876 -7.135 -8.649 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.153 -8.394 -7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.924 -6.557 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.479 -6.192 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.737 -8.469 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.526 -7.927 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.368 -10.218 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.155 -9.677 -3.568 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.869 -11.522 -2.193 1.00 0.00 H new ATOM 1264 N THR A 83 -8.852 -6.747 -7.940 1.00 0.00 N ATOM 1265 CA THR A 83 -9.885 -5.823 -8.395 1.00 0.00 C ATOM 1266 C THR A 83 -10.693 -5.287 -7.217 1.00 0.00 C ATOM 1267 O THR A 83 -11.151 -4.145 -7.234 1.00 0.00 O ATOM 1268 CB THR A 83 -10.813 -6.515 -9.393 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.068 -7.267 -10.335 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.689 -5.551 -10.165 1.00 0.00 C ATOM 0 H THR A 83 -9.208 -7.632 -7.579 1.00 0.00 H new ATOM 0 HA THR A 83 -9.395 -4.983 -8.888 1.00 0.00 H new ATOM 0 HB THR A 83 -11.453 -7.160 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.681 -7.703 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.323 -6.108 -10.855 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.314 -4.991 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.061 -4.859 -10.727 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.864 -6.121 -6.196 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.616 -5.732 -5.010 1.00 0.00 C ATOM 1280 C GLU A 84 -10.748 -4.917 -4.056 1.00 0.00 C ATOM 1281 O GLU A 84 -11.242 -4.046 -3.341 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.156 -6.971 -4.293 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.506 -6.752 -3.631 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.109 -8.038 -3.098 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.959 -9.084 -3.762 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.733 -7.997 -2.017 1.00 0.00 O ATOM 0 H GLU A 84 -10.492 -7.070 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.453 -5.112 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.241 -7.787 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.437 -7.285 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.394 -6.041 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.191 -6.305 -4.351 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.451 -5.208 -4.051 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.513 -4.503 -3.185 1.00 0.00 C ATOM 1295 C ALA A 85 -8.354 -3.049 -3.615 1.00 0.00 C ATOM 1296 O ALA A 85 -8.289 -2.148 -2.780 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.164 -5.206 -3.184 1.00 0.00 C ATOM 0 H ALA A 85 -9.026 -5.927 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.916 -4.512 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.474 -4.669 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.286 -6.226 -2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.764 -5.228 -4.198 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.293 -2.827 -4.924 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.142 -1.482 -5.465 1.00 0.00 C ATOM 1305 C ILE A 86 -9.414 -0.663 -5.267 1.00 0.00 C ATOM 1306 O ILE A 86 -9.361 0.556 -5.110 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.793 -1.514 -6.966 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.617 -2.459 -7.218 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.470 -0.113 -7.465 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.236 -2.575 -8.678 1.00 0.00 C ATOM 0 H ILE A 86 -8.346 -3.562 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.323 -1.013 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.657 -1.885 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.753 -2.110 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.869 -3.449 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.226 -0.152 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.334 0.535 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.619 0.283 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.395 -3.261 -8.781 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.085 -2.954 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.953 -1.594 -9.059 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.556 -1.343 -5.275 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.842 -0.680 -5.096 1.00 0.00 C ATOM 1324 C GLU A 87 -11.947 -0.062 -3.705 1.00 0.00 C ATOM 1325 O GLU A 87 -12.608 0.958 -3.516 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.986 -1.670 -5.313 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.377 -1.838 -6.772 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.753 -2.454 -6.940 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.844 -3.697 -7.002 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.741 -1.691 -7.008 1.00 0.00 O ATOM 0 H GLU A 87 -10.617 -2.353 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.916 0.117 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.697 -2.640 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.856 -1.336 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.356 -0.866 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.639 -2.465 -7.272 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.290 -0.689 -2.734 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.309 -0.202 -1.360 1.00 0.00 C ATOM 1339 C VAL A 88 -10.580 1.133 -1.238 1.00 0.00 C ATOM 1340 O VAL A 88 -11.036 2.037 -0.538 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.662 -1.214 -0.396 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.869 -0.785 1.048 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.223 -2.608 -0.631 1.00 0.00 C ATOM 0 H VAL A 88 -10.738 -1.535 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.356 -0.068 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.590 -1.240 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.405 -1.513 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.414 0.193 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.936 -0.727 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.754 -3.310 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.300 -2.600 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.017 -2.915 -1.656 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.448 1.249 -1.925 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.659 2.473 -1.893 1.00 0.00 C ATOM 1355 C ILE A 89 -9.320 3.575 -2.713 1.00 0.00 C ATOM 1356 O ILE A 89 -9.440 4.713 -2.258 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.233 2.236 -2.428 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.601 1.025 -1.739 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.375 3.475 -2.221 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.332 0.543 -2.407 1.00 0.00 C ATOM 0 H ILE A 89 -9.058 0.510 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.601 2.785 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.293 2.034 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.382 1.281 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.324 0.210 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.371 3.291 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.818 4.317 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.320 3.706 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.940 -0.317 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.549 0.256 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.592 1.343 -2.402 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.749 3.230 -3.923 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.400 4.191 -4.805 1.00 0.00 C ATOM 1374 C GLN A 90 -11.684 4.725 -4.176 1.00 0.00 C ATOM 1375 O GLN A 90 -12.083 5.862 -4.427 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.710 3.546 -6.157 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.607 3.733 -7.186 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.678 2.715 -8.308 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.661 1.986 -8.439 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.632 2.660 -9.125 1.00 0.00 N ATOM 0 H GLN A 90 -9.657 2.293 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.717 5.027 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.882 2.480 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.636 3.968 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.673 4.737 -7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.638 3.657 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.838 3.283 -8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.623 1.994 -9.898 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.326 3.896 -3.359 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.563 4.286 -2.694 1.00 0.00 C ATOM 1391 C ALA A 91 -13.356 5.524 -1.827 1.00 0.00 C ATOM 1392 O ALA A 91 -14.183 6.435 -1.822 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.096 3.132 -1.855 1.00 0.00 C ATOM 0 H ALA A 91 -12.010 2.951 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.297 4.533 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.020 3.436 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.292 2.275 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.357 2.858 -1.102 1.00 0.00 H new