USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 34 GLN : amide:sc= 1.23 K(o=3.3,f=-13!) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.851 K(o=3.3,f=-1.2!) USER MOD Set 1.3: A 57 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 33 GLN : amide:sc= -1.42! K(o=0.96!,f=-5.5) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 149:sc= 2.38 (180deg=-0.205) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.0613 USER MOD Single : A 50 THR OG1 : rot 70:sc= -0.545 USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.18) USER MOD Single : A 59 SER OG : rot -43:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0374 K(o=-0.037,f=-1.3) USER MOD Single : A 86 HIS : no HE2:sc= 0.716 K(o=0.72,f=-2.6!) USER MOD Single : A 88 ASN : amide:sc= 0.0664 X(o=0.066,f=-0.1) USER MOD Single : A 91 MET CE :methyl -143:sc= 0 (180deg=-0.747) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -37:sc= 0.75 USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.12) USER MOD Single : A 120 MET CE :methyl -139:sc= -0.258 (180deg=-0.854) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.991 9.941 0.846 1.00 0.00 N ATOM 42 CA GLN A 30 7.009 8.983 1.266 1.00 0.00 C ATOM 43 C GLN A 30 7.519 8.162 0.081 1.00 0.00 C ATOM 44 O GLN A 30 6.738 7.633 -0.710 1.00 0.00 O ATOM 45 CB GLN A 30 6.450 8.050 2.342 1.00 0.00 C ATOM 46 CG GLN A 30 7.198 8.128 3.666 1.00 0.00 C ATOM 47 CD GLN A 30 8.584 7.514 3.594 1.00 0.00 C ATOM 48 OE1 GLN A 30 9.515 8.113 3.062 1.00 0.00 O ATOM 49 NE2 GLN A 30 8.731 6.313 4.128 1.00 0.00 N ATOM 0 HA GLN A 30 7.846 9.546 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.401 8.293 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.484 7.024 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.283 9.171 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.619 7.618 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.934 5.847 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.641 5.853 4.107 1.00 0.00 H new ATOM 58 N LYS A 31 8.835 8.058 -0.026 1.00 0.00 N ATOM 59 CA LYS A 31 9.461 7.300 -1.105 1.00 0.00 C ATOM 60 C LYS A 31 9.721 5.858 -0.675 1.00 0.00 C ATOM 61 O LYS A 31 10.347 5.610 0.355 1.00 0.00 O ATOM 62 CB LYS A 31 10.773 7.965 -1.527 1.00 0.00 C ATOM 63 CG LYS A 31 10.791 8.413 -2.979 1.00 0.00 C ATOM 64 CD LYS A 31 11.859 9.469 -3.224 1.00 0.00 C ATOM 65 CE LYS A 31 11.261 10.867 -3.270 1.00 0.00 C ATOM 66 NZ LYS A 31 12.312 11.919 -3.320 1.00 0.00 N ATOM 0 H LYS A 31 9.494 8.489 0.622 1.00 0.00 H new ATOM 0 HA LYS A 31 8.778 7.289 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.955 8.829 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.594 7.267 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.973 7.553 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.814 8.813 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.609 9.419 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.370 9.260 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.615 10.957 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.633 11.022 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.863 12.857 -3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.913 11.850 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.895 11.787 -4.171 1.00 0.00 H new ATOM 80 N ALA A 32 9.228 4.910 -1.466 1.00 0.00 N ATOM 81 CA ALA A 32 9.414 3.493 -1.169 1.00 0.00 C ATOM 82 C ALA A 32 10.865 3.065 -1.396 1.00 0.00 C ATOM 83 O ALA A 32 11.579 3.655 -2.207 1.00 0.00 O ATOM 84 CB ALA A 32 8.473 2.654 -2.017 1.00 0.00 C ATOM 0 H ALA A 32 8.697 5.097 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 32 9.181 3.332 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.620 1.599 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.442 2.932 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.681 2.828 -3.073 1.00 0.00 H new ATOM 90 N GLN A 33 11.295 2.031 -0.681 1.00 0.00 N ATOM 91 CA GLN A 33 12.663 1.542 -0.805 1.00 0.00 C ATOM 92 C GLN A 33 12.824 0.627 -2.021 1.00 0.00 C ATOM 93 O GLN A 33 11.938 -0.166 -2.344 1.00 0.00 O ATOM 94 CB GLN A 33 13.096 0.816 0.479 1.00 0.00 C ATOM 95 CG GLN A 33 12.589 -0.616 0.597 1.00 0.00 C ATOM 96 CD GLN A 33 13.362 -1.436 1.616 1.00 0.00 C ATOM 97 OE1 GLN A 33 12.793 -2.270 2.315 1.00 0.00 O ATOM 98 NE2 GLN A 33 14.665 -1.218 1.700 1.00 0.00 N ATOM 0 H GLN A 33 10.720 1.518 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 33 13.311 2.406 -0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.185 0.808 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.744 1.385 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.535 -0.601 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.655 -1.101 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.104 -0.517 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.230 -1.751 2.361 1.00 0.00 H new ATOM 107 N GLN A 34 13.959 0.757 -2.698 1.00 0.00 N ATOM 108 CA GLN A 34 14.247 -0.056 -3.875 1.00 0.00 C ATOM 109 C GLN A 34 15.116 -1.256 -3.500 1.00 0.00 C ATOM 110 O GLN A 34 16.257 -1.098 -3.062 1.00 0.00 O ATOM 111 CB GLN A 34 14.943 0.785 -4.949 1.00 0.00 C ATOM 112 CG GLN A 34 14.174 2.038 -5.337 1.00 0.00 C ATOM 113 CD GLN A 34 14.641 2.630 -6.652 1.00 0.00 C ATOM 114 OE1 GLN A 34 14.041 2.400 -7.701 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.718 3.396 -6.608 1.00 0.00 N ATOM 0 H GLN A 34 14.696 1.418 -2.452 1.00 0.00 H new ATOM 0 HA GLN A 34 13.302 -0.423 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.931 1.072 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.093 0.172 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.113 1.800 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.282 2.784 -4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.189 3.564 -5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.078 3.819 -7.463 1.00 0.00 H new ATOM 124 N LYS A 35 14.564 -2.452 -3.664 1.00 0.00 N ATOM 125 CA LYS A 35 15.280 -3.683 -3.336 1.00 0.00 C ATOM 126 C LYS A 35 15.918 -4.312 -4.582 1.00 0.00 C ATOM 127 O LYS A 35 16.280 -3.613 -5.530 1.00 0.00 O ATOM 128 CB LYS A 35 14.329 -4.679 -2.666 1.00 0.00 C ATOM 129 CG LYS A 35 13.497 -4.074 -1.543 1.00 0.00 C ATOM 130 CD LYS A 35 14.061 -4.426 -0.175 1.00 0.00 C ATOM 131 CE LYS A 35 13.176 -5.422 0.560 1.00 0.00 C ATOM 132 NZ LYS A 35 12.863 -4.972 1.946 1.00 0.00 N ATOM 0 H LYS A 35 13.620 -2.598 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 35 16.084 -3.431 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.659 -5.091 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.910 -5.510 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.466 -2.990 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.470 -4.432 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.061 -4.844 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.161 -3.519 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.248 -5.561 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.673 -6.391 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.924 -5.323 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.578 -5.346 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.869 -3.933 1.983 1.00 0.00 H new ATOM 146 N ASN A 36 16.040 -5.639 -4.581 1.00 0.00 N ATOM 147 CA ASN A 36 16.648 -6.362 -5.700 1.00 0.00 C ATOM 148 C ASN A 36 15.661 -6.590 -6.853 1.00 0.00 C ATOM 149 O ASN A 36 15.196 -7.709 -7.074 1.00 0.00 O ATOM 150 CB ASN A 36 17.194 -7.706 -5.213 1.00 0.00 C ATOM 151 CG ASN A 36 18.396 -8.169 -6.014 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.538 -7.886 -5.668 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.144 -8.887 -7.097 1.00 0.00 N ATOM 0 H ASN A 36 15.726 -6.237 -3.817 1.00 0.00 H new ATOM 0 HA ASN A 36 17.460 -5.745 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.472 -7.622 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.408 -8.458 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.913 -9.225 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.181 -9.103 -7.353 1.00 0.00 H new ATOM 160 N GLY A 37 15.348 -5.523 -7.586 1.00 0.00 N ATOM 161 CA GLY A 37 14.436 -5.640 -8.717 1.00 0.00 C ATOM 162 C GLY A 37 12.992 -5.294 -8.383 1.00 0.00 C ATOM 163 O GLY A 37 12.145 -5.236 -9.272 1.00 0.00 O ATOM 0 H GLY A 37 15.707 -4.583 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.780 -4.986 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.476 -6.660 -9.099 1.00 0.00 H new ATOM 167 N TYR A 38 12.712 -5.065 -7.105 1.00 0.00 N ATOM 168 CA TYR A 38 11.358 -4.726 -6.666 1.00 0.00 C ATOM 169 C TYR A 38 11.392 -3.641 -5.590 1.00 0.00 C ATOM 170 O TYR A 38 12.437 -3.377 -5.002 1.00 0.00 O ATOM 171 CB TYR A 38 10.631 -5.978 -6.145 1.00 0.00 C ATOM 172 CG TYR A 38 11.249 -6.604 -4.909 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.356 -7.441 -5.007 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.715 -6.370 -3.647 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.914 -8.021 -3.884 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.269 -6.949 -2.520 1.00 0.00 C ATOM 177 CZ TYR A 38 12.366 -7.772 -2.643 1.00 0.00 C ATOM 178 OH TYR A 38 12.918 -8.350 -1.524 1.00 0.00 O ATOM 0 H TYR A 38 13.401 -5.107 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 38 10.809 -4.338 -7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.597 -5.715 -5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.607 -6.724 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.786 -7.641 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.854 -5.726 -3.545 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.775 -8.666 -3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.843 -6.756 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 38 12.415 -8.072 -0.730 1.00 0.00 H new ATOM 188 N GLN A 39 10.254 -3.006 -5.342 1.00 0.00 N ATOM 189 CA GLN A 39 10.181 -1.950 -4.332 1.00 0.00 C ATOM 190 C GLN A 39 9.295 -2.365 -3.159 1.00 0.00 C ATOM 191 O GLN A 39 8.378 -3.173 -3.309 1.00 0.00 O ATOM 192 CB GLN A 39 9.661 -0.641 -4.932 1.00 0.00 C ATOM 193 CG GLN A 39 9.728 -0.581 -6.450 1.00 0.00 C ATOM 194 CD GLN A 39 10.349 0.705 -6.957 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.694 1.742 -7.023 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.619 0.645 -7.323 1.00 0.00 N ATOM 0 H GLN A 39 9.374 -3.199 -5.820 1.00 0.00 H new ATOM 0 HA GLN A 39 11.195 -1.789 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.627 -0.497 -4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.237 0.188 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.306 -1.429 -6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.722 -0.680 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.129 -0.236 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.088 1.479 -7.675 1.00 0.00 H new ATOM 205 N GLU A 40 9.572 -1.795 -1.992 1.00 0.00 N ATOM 206 CA GLU A 40 8.809 -2.106 -0.785 1.00 0.00 C ATOM 207 C GLU A 40 8.597 -0.863 0.084 1.00 0.00 C ATOM 208 O GLU A 40 9.483 -0.018 0.209 1.00 0.00 O ATOM 209 CB GLU A 40 9.529 -3.188 0.025 1.00 0.00 C ATOM 210 CG GLU A 40 8.687 -3.790 1.140 1.00 0.00 C ATOM 211 CD GLU A 40 9.497 -4.116 2.380 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.175 -5.173 2.391 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.456 -3.320 3.343 1.00 0.00 O ATOM 0 H GLU A 40 10.319 -1.115 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 40 7.830 -2.471 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.842 -3.984 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.434 -2.762 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.891 -3.093 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.207 -4.699 0.776 1.00 0.00 H new ATOM 220 N ILE A 41 7.413 -0.757 0.675 1.00 0.00 N ATOM 221 CA ILE A 41 7.089 0.373 1.545 1.00 0.00 C ATOM 222 C ILE A 41 6.264 -0.080 2.754 1.00 0.00 C ATOM 223 O ILE A 41 5.259 -0.778 2.609 1.00 0.00 O ATOM 224 CB ILE A 41 6.331 1.493 0.783 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.761 2.527 1.759 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.217 0.913 -0.072 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.418 3.889 1.668 1.00 0.00 C ATOM 0 H ILE A 41 6.660 -1.437 0.570 1.00 0.00 H new ATOM 0 HA ILE A 41 8.037 0.781 1.894 1.00 0.00 H new ATOM 0 HB ILE A 41 7.046 1.990 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.693 2.637 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.870 2.150 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.702 1.719 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.640 0.220 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.508 0.383 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.959 4.564 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.482 3.795 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.287 4.290 0.663 1.00 0.00 H new ATOM 239 N ARG A 42 6.708 0.309 3.945 1.00 0.00 N ATOM 240 CA ARG A 42 6.011 -0.046 5.177 1.00 0.00 C ATOM 241 C ARG A 42 4.953 1.001 5.530 1.00 0.00 C ATOM 242 O ARG A 42 5.273 2.113 5.955 1.00 0.00 O ATOM 243 CB ARG A 42 7.006 -0.197 6.330 1.00 0.00 C ATOM 244 CG ARG A 42 6.771 -1.438 7.179 1.00 0.00 C ATOM 245 CD ARG A 42 8.082 -2.110 7.559 1.00 0.00 C ATOM 246 NE ARG A 42 7.866 -3.383 8.242 1.00 0.00 N ATOM 247 CZ ARG A 42 8.817 -4.050 8.875 1.00 0.00 C ATOM 248 NH1 ARG A 42 10.042 -3.583 8.918 1.00 0.00 N ATOM 249 NH2 ARG A 42 8.544 -5.187 9.464 1.00 0.00 N ATOM 0 H ARG A 42 7.548 0.871 4.083 1.00 0.00 H new ATOM 0 HA ARG A 42 5.509 -1.000 5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.017 -0.231 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.948 0.685 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.226 -1.164 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.146 -2.142 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.678 -2.277 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.657 -1.445 8.204 1.00 0.00 H new ATOM 0 HE ARG A 42 6.927 -3.781 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.267 -2.699 8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.769 -4.104 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.596 -5.561 9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.280 -5.699 9.951 1.00 0.00 H new ATOM 263 N VAL A 43 3.693 0.630 5.351 1.00 0.00 N ATOM 264 CA VAL A 43 2.573 1.517 5.642 1.00 0.00 C ATOM 265 C VAL A 43 1.956 1.170 6.997 1.00 0.00 C ATOM 266 O VAL A 43 1.237 0.178 7.136 1.00 0.00 O ATOM 267 CB VAL A 43 1.499 1.439 4.533 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.365 2.417 4.792 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.126 1.710 3.175 1.00 0.00 C ATOM 0 H VAL A 43 3.418 -0.288 5.002 1.00 0.00 H new ATOM 0 HA VAL A 43 2.954 2.538 5.677 1.00 0.00 H new ATOM 0 HB VAL A 43 1.082 0.432 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.374 2.337 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.106 2.184 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.760 3.433 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.359 1.652 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.570 2.705 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.898 0.967 2.976 1.00 0.00 H new ATOM 279 N GLU A 44 2.265 1.987 8.000 1.00 0.00 N ATOM 280 CA GLU A 44 1.751 1.775 9.351 1.00 0.00 C ATOM 281 C GLU A 44 0.267 2.134 9.436 1.00 0.00 C ATOM 282 O GLU A 44 -0.119 3.291 9.239 1.00 0.00 O ATOM 283 CB GLU A 44 2.556 2.599 10.359 1.00 0.00 C ATOM 284 CG GLU A 44 2.576 2.003 11.757 1.00 0.00 C ATOM 285 CD GLU A 44 3.870 1.271 12.064 1.00 0.00 C ATOM 286 OE1 GLU A 44 3.944 0.054 11.789 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.810 1.915 12.575 1.00 0.00 O ATOM 0 H GLU A 44 2.869 2.803 7.903 1.00 0.00 H new ATOM 0 HA GLU A 44 1.858 0.718 9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.581 2.696 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.139 3.605 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.431 2.798 12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.739 1.313 11.865 1.00 0.00 H new ATOM 294 N VAL A 45 -0.553 1.132 9.737 1.00 0.00 N ATOM 295 CA VAL A 45 -1.998 1.311 9.834 1.00 0.00 C ATOM 296 C VAL A 45 -2.443 1.493 11.289 1.00 0.00 C ATOM 297 O VAL A 45 -2.575 0.529 12.049 1.00 0.00 O ATOM 298 CB VAL A 45 -2.736 0.108 9.194 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.213 0.101 9.549 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.559 0.123 7.683 1.00 0.00 C ATOM 0 H VAL A 45 -0.238 0.179 9.919 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.258 2.218 9.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.294 -0.803 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.695 -0.757 9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.327 0.037 10.631 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.678 1.019 9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.083 -0.728 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.969 1.048 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.498 0.059 7.440 1.00 0.00 H new ATOM 310 N MET A 46 -2.651 2.746 11.672 1.00 0.00 N ATOM 311 CA MET A 46 -3.097 3.079 13.026 1.00 0.00 C ATOM 312 C MET A 46 -4.058 4.268 12.995 1.00 0.00 C ATOM 313 O MET A 46 -3.651 5.421 13.137 1.00 0.00 O ATOM 314 CB MET A 46 -1.901 3.382 13.937 1.00 0.00 C ATOM 315 CG MET A 46 -0.795 4.171 13.258 1.00 0.00 C ATOM 316 SD MET A 46 0.771 4.079 14.146 1.00 0.00 S ATOM 317 CE MET A 46 0.495 5.278 15.448 1.00 0.00 C ATOM 0 H MET A 46 -2.518 3.554 11.064 1.00 0.00 H new ATOM 0 HA MET A 46 -3.624 2.215 13.432 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.251 3.939 14.806 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.490 2.442 14.305 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.656 3.795 12.244 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.099 5.214 13.172 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.379 5.335 16.083 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.301 6.256 15.007 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.363 4.974 16.047 1.00 0.00 H new ATOM 327 N GLY A 47 -5.340 3.976 12.800 1.00 0.00 N ATOM 328 CA GLY A 47 -6.344 5.028 12.720 1.00 0.00 C ATOM 329 C GLY A 47 -6.411 5.628 11.324 1.00 0.00 C ATOM 330 O GLY A 47 -7.173 6.558 11.065 1.00 0.00 O ATOM 0 H GLY A 47 -5.705 3.029 12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.319 4.623 12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.112 5.810 13.443 1.00 0.00 H new ATOM 334 N GLY A 48 -5.599 5.071 10.432 1.00 0.00 N ATOM 335 CA GLY A 48 -5.537 5.525 9.059 1.00 0.00 C ATOM 336 C GLY A 48 -4.249 5.078 8.392 1.00 0.00 C ATOM 337 O GLY A 48 -3.657 4.074 8.793 1.00 0.00 O ATOM 0 H GLY A 48 -4.971 4.296 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.391 5.135 8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.607 6.612 9.029 1.00 0.00 H new ATOM 341 N TYR A 49 -3.810 5.816 7.385 1.00 0.00 N ATOM 342 CA TYR A 49 -2.577 5.482 6.674 1.00 0.00 C ATOM 343 C TYR A 49 -1.469 6.471 7.035 1.00 0.00 C ATOM 344 O TYR A 49 -1.662 7.682 6.941 1.00 0.00 O ATOM 345 CB TYR A 49 -2.822 5.482 5.162 1.00 0.00 C ATOM 346 CG TYR A 49 -3.948 4.563 4.737 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.799 3.182 4.775 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.164 5.080 4.305 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.828 2.343 4.392 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.198 4.246 3.924 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.024 2.879 3.969 1.00 0.00 C ATOM 352 OH TYR A 49 -7.055 2.047 3.590 1.00 0.00 O ATOM 0 H TYR A 49 -4.285 6.650 7.039 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.260 4.484 6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.049 6.498 4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.906 5.182 4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.864 2.758 5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.303 6.150 4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.695 1.272 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.138 4.663 3.593 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.890 2.558 3.551 1.00 0.00 H new ATOM 362 N THR A 50 -0.312 5.951 7.452 1.00 0.00 N ATOM 363 CA THR A 50 0.813 6.812 7.830 1.00 0.00 C ATOM 364 C THR A 50 1.372 7.571 6.614 1.00 0.00 C ATOM 365 O THR A 50 1.304 8.800 6.582 1.00 0.00 O ATOM 366 CB THR A 50 1.927 6.023 8.558 1.00 0.00 C ATOM 367 OG1 THR A 50 1.445 5.566 9.828 1.00 0.00 O ATOM 368 CG2 THR A 50 3.168 6.882 8.764 1.00 0.00 C ATOM 0 H THR A 50 -0.130 4.951 7.536 1.00 0.00 H new ATOM 0 HA THR A 50 0.427 7.549 8.535 1.00 0.00 H new ATOM 0 HB THR A 50 2.200 5.170 7.936 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.776 4.864 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.933 6.299 9.278 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.550 7.208 7.796 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.911 7.754 9.365 1.00 0.00 H new ATOM 376 N PRO A 51 1.946 6.883 5.594 1.00 0.00 N ATOM 377 CA PRO A 51 2.445 7.567 4.401 1.00 0.00 C ATOM 378 C PRO A 51 1.292 8.005 3.497 1.00 0.00 C ATOM 379 O PRO A 51 0.749 7.203 2.736 1.00 0.00 O ATOM 380 CB PRO A 51 3.305 6.509 3.712 1.00 0.00 C ATOM 381 CG PRO A 51 2.707 5.212 4.128 1.00 0.00 C ATOM 382 CD PRO A 51 2.185 5.423 5.524 1.00 0.00 C ATOM 0 HA PRO A 51 2.999 8.476 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.285 6.626 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.348 6.582 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.904 4.918 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.450 4.415 4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.269 4.859 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.906 5.099 6.274 1.00 0.00 H new ATOM 390 N GLU A 52 0.914 9.278 3.605 1.00 0.00 N ATOM 391 CA GLU A 52 -0.189 9.839 2.811 1.00 0.00 C ATOM 392 C GLU A 52 -0.038 9.545 1.317 1.00 0.00 C ATOM 393 O GLU A 52 -1.002 9.161 0.653 1.00 0.00 O ATOM 394 CB GLU A 52 -0.303 11.352 3.042 1.00 0.00 C ATOM 395 CG GLU A 52 1.026 12.089 2.982 1.00 0.00 C ATOM 396 CD GLU A 52 1.390 12.751 4.299 1.00 0.00 C ATOM 397 OE1 GLU A 52 2.033 12.084 5.138 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.020 13.928 4.497 1.00 0.00 O ATOM 0 H GLU A 52 1.355 9.947 4.237 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.104 9.352 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.975 11.774 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.760 11.527 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.813 11.388 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.981 12.847 2.200 1.00 0.00 H new ATOM 405 N LEU A 53 1.171 9.724 0.789 1.00 0.00 N ATOM 406 CA LEU A 53 1.431 9.470 -0.623 1.00 0.00 C ATOM 407 C LEU A 53 2.690 8.622 -0.802 1.00 0.00 C ATOM 408 O LEU A 53 3.781 9.028 -0.405 1.00 0.00 O ATOM 409 CB LEU A 53 1.575 10.781 -1.408 1.00 0.00 C ATOM 410 CG LEU A 53 1.320 12.071 -0.625 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.165 13.201 -1.187 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.156 12.441 -0.670 1.00 0.00 C ATOM 0 H LEU A 53 1.983 10.043 1.317 1.00 0.00 H new ATOM 0 HA LEU A 53 0.575 8.922 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.583 10.824 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.887 10.752 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 53 1.601 11.906 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.975 14.113 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.220 12.939 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.907 13.362 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.318 13.361 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.462 12.590 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.746 11.638 -0.229 1.00 0.00 H new ATOM 424 N ILE A 54 2.531 7.444 -1.398 1.00 0.00 N ATOM 425 CA ILE A 54 3.665 6.546 -1.632 1.00 0.00 C ATOM 426 C ILE A 54 4.204 6.699 -3.055 1.00 0.00 C ATOM 427 O ILE A 54 3.458 6.593 -4.031 1.00 0.00 O ATOM 428 CB ILE A 54 3.298 5.065 -1.381 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.930 4.723 -1.977 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.323 4.757 0.108 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.561 3.261 -1.848 1.00 0.00 C ATOM 0 H ILE A 54 1.634 7.087 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 54 4.437 6.833 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 54 4.044 4.445 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.167 5.326 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.923 4.999 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.062 3.711 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.321 4.946 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.603 5.393 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.580 3.093 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.302 2.652 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.535 2.984 -0.794 1.00 0.00 H new ATOM 443 N VAL A 55 5.499 6.962 -3.168 1.00 0.00 N ATOM 444 CA VAL A 55 6.133 7.134 -4.474 1.00 0.00 C ATOM 445 C VAL A 55 6.833 5.852 -4.932 1.00 0.00 C ATOM 446 O VAL A 55 7.656 5.285 -4.208 1.00 0.00 O ATOM 447 CB VAL A 55 7.151 8.298 -4.452 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.861 8.434 -5.791 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.460 9.602 -4.078 1.00 0.00 C ATOM 0 H VAL A 55 6.132 7.061 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 55 5.339 7.370 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 55 7.903 8.073 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.570 9.260 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.394 7.510 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.128 8.629 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.191 10.411 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.683 9.825 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.011 9.505 -3.089 1.00 0.00 H new ATOM 459 N LEU A 56 6.496 5.404 -6.141 1.00 0.00 N ATOM 460 CA LEU A 56 7.076 4.184 -6.711 1.00 0.00 C ATOM 461 C LEU A 56 7.445 4.377 -8.187 1.00 0.00 C ATOM 462 O LEU A 56 7.040 5.355 -8.820 1.00 0.00 O ATOM 463 CB LEU A 56 6.087 3.021 -6.579 1.00 0.00 C ATOM 464 CG LEU A 56 5.686 2.661 -5.146 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.200 2.346 -5.069 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.504 1.483 -4.645 1.00 0.00 C ATOM 0 H LEU A 56 5.821 5.869 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 56 7.987 3.958 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.185 3.267 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.524 2.140 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 56 5.889 3.520 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.935 2.093 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.627 3.216 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.973 1.503 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.206 1.241 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.331 0.620 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.563 1.742 -4.662 1.00 0.00 H new ATOM 478 N LYS A 57 8.221 3.440 -8.732 1.00 0.00 N ATOM 479 CA LYS A 57 8.631 3.502 -10.136 1.00 0.00 C ATOM 480 C LYS A 57 7.625 2.770 -11.033 1.00 0.00 C ATOM 481 O LYS A 57 6.709 2.113 -10.542 1.00 0.00 O ATOM 482 CB LYS A 57 10.025 2.895 -10.310 1.00 0.00 C ATOM 483 CG LYS A 57 11.156 3.866 -10.013 1.00 0.00 C ATOM 484 CD LYS A 57 12.170 3.908 -11.148 1.00 0.00 C ATOM 485 CE LYS A 57 13.068 2.681 -11.143 1.00 0.00 C ATOM 486 NZ LYS A 57 14.308 2.902 -10.348 1.00 0.00 N ATOM 0 H LYS A 57 8.578 2.630 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 57 8.660 4.550 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.119 2.030 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.129 2.532 -11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.747 4.864 -9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.655 3.573 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.647 3.972 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.780 4.807 -11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.521 1.832 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.335 2.423 -12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.036 2.221 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.654 3.870 -10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.101 2.770 -9.337 1.00 0.00 H new ATOM 500 N LYS A 58 7.800 2.884 -12.347 1.00 0.00 N ATOM 501 CA LYS A 58 6.894 2.236 -13.295 1.00 0.00 C ATOM 502 C LYS A 58 7.510 0.976 -13.909 1.00 0.00 C ATOM 503 O LYS A 58 8.727 0.884 -14.074 1.00 0.00 O ATOM 504 CB LYS A 58 6.499 3.213 -14.407 1.00 0.00 C ATOM 505 CG LYS A 58 5.300 2.747 -15.218 1.00 0.00 C ATOM 506 CD LYS A 58 4.993 3.689 -16.370 1.00 0.00 C ATOM 507 CE LYS A 58 5.570 3.179 -17.682 1.00 0.00 C ATOM 508 NZ LYS A 58 4.510 2.684 -18.605 1.00 0.00 N ATOM 0 H LYS A 58 8.556 3.415 -12.779 1.00 0.00 H new ATOM 0 HA LYS A 58 6.006 1.936 -12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.275 4.184 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.348 3.355 -15.075 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.492 1.747 -15.608 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.428 2.673 -14.568 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.914 3.805 -16.468 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.401 4.676 -16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.128 3.979 -18.168 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.277 2.375 -17.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.949 2.164 -19.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.867 2.051 -18.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.972 3.491 -18.981 1.00 0.00 H new ATOM 522 N SER A 59 6.643 0.007 -14.230 1.00 0.00 N ATOM 523 CA SER A 59 7.045 -1.272 -14.837 1.00 0.00 C ATOM 524 C SER A 59 7.905 -2.108 -13.884 1.00 0.00 C ATOM 525 O SER A 59 8.619 -3.020 -14.307 1.00 0.00 O ATOM 526 CB SER A 59 7.792 -1.040 -16.159 1.00 0.00 C ATOM 527 OG SER A 59 8.140 -2.268 -16.775 1.00 0.00 O ATOM 0 H SER A 59 5.638 0.087 -14.076 1.00 0.00 H new ATOM 0 HA SER A 59 6.132 -1.831 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.167 -0.456 -16.835 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.693 -0.456 -15.973 1.00 0.00 H new ATOM 0 HG SER A 59 8.478 -2.890 -16.097 1.00 0.00 H new ATOM 533 N VAL A 60 7.818 -1.802 -12.595 1.00 0.00 N ATOM 534 CA VAL A 60 8.583 -2.518 -11.582 1.00 0.00 C ATOM 535 C VAL A 60 7.655 -3.107 -10.511 1.00 0.00 C ATOM 536 O VAL A 60 6.704 -2.455 -10.075 1.00 0.00 O ATOM 537 CB VAL A 60 9.636 -1.583 -10.929 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.981 -0.579 -9.997 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.697 -2.378 -10.184 1.00 0.00 C ATOM 0 H VAL A 60 7.223 -1.060 -12.226 1.00 0.00 H new ATOM 0 HA VAL A 60 9.105 -3.340 -12.072 1.00 0.00 H new ATOM 0 HB VAL A 60 10.123 -1.035 -11.736 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.746 0.061 -9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.276 0.033 -10.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.451 -1.109 -9.206 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.419 -1.693 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.225 -2.969 -9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.209 -3.043 -10.880 1.00 0.00 H new ATOM 549 N PRO A 61 7.885 -4.370 -10.103 1.00 0.00 N ATOM 550 CA PRO A 61 7.073 -5.014 -9.065 1.00 0.00 C ATOM 551 C PRO A 61 7.224 -4.310 -7.716 1.00 0.00 C ATOM 552 O PRO A 61 8.329 -4.162 -7.197 1.00 0.00 O ATOM 553 CB PRO A 61 7.628 -6.443 -8.997 1.00 0.00 C ATOM 554 CG PRO A 61 8.986 -6.366 -9.609 1.00 0.00 C ATOM 555 CD PRO A 61 8.923 -5.270 -10.634 1.00 0.00 C ATOM 0 HA PRO A 61 6.008 -4.981 -9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.680 -6.796 -7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.990 -7.139 -9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.741 -6.149 -8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.259 -7.315 -10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.881 -4.761 -10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.657 -5.655 -11.619 1.00 0.00 H new ATOM 563 N ALA A 62 6.112 -3.861 -7.154 1.00 0.00 N ATOM 564 CA ALA A 62 6.142 -3.166 -5.873 1.00 0.00 C ATOM 565 C ALA A 62 5.226 -3.831 -4.851 1.00 0.00 C ATOM 566 O ALA A 62 4.107 -4.232 -5.169 1.00 0.00 O ATOM 567 CB ALA A 62 5.755 -1.710 -6.065 1.00 0.00 C ATOM 0 H ALA A 62 5.182 -3.964 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 62 7.159 -3.219 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.780 -1.197 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.458 -1.234 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.749 -1.653 -6.481 1.00 0.00 H new ATOM 573 N ARG A 63 5.706 -3.948 -3.618 1.00 0.00 N ATOM 574 CA ARG A 63 4.919 -4.562 -2.560 1.00 0.00 C ATOM 575 C ARG A 63 4.672 -3.581 -1.410 1.00 0.00 C ATOM 576 O ARG A 63 5.600 -2.979 -0.859 1.00 0.00 O ATOM 577 CB ARG A 63 5.591 -5.855 -2.067 1.00 0.00 C ATOM 578 CG ARG A 63 6.830 -5.647 -1.214 1.00 0.00 C ATOM 579 CD ARG A 63 7.743 -6.862 -1.255 1.00 0.00 C ATOM 580 NE ARG A 63 8.625 -6.920 -0.092 1.00 0.00 N ATOM 581 CZ ARG A 63 8.821 -8.005 0.640 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.235 -9.138 0.333 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.612 -7.954 1.683 1.00 0.00 N ATOM 0 H ARG A 63 6.630 -3.627 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 63 3.945 -4.827 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.864 -6.428 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.861 -6.460 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.373 -4.770 -1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.535 -5.447 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.139 -7.768 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.343 -6.835 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 63 9.122 -6.069 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.619 -9.190 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.395 -9.967 0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.075 -7.079 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.765 -8.789 2.249 1.00 0.00 H new ATOM 597 N ILE A 64 3.403 -3.404 -1.077 1.00 0.00 N ATOM 598 CA ILE A 64 3.003 -2.500 -0.002 1.00 0.00 C ATOM 599 C ILE A 64 2.752 -3.278 1.290 1.00 0.00 C ATOM 600 O ILE A 64 1.840 -4.101 1.359 1.00 0.00 O ATOM 601 CB ILE A 64 1.732 -1.702 -0.371 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.732 -1.330 -1.864 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.617 -0.455 0.492 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.714 -0.231 -2.227 1.00 0.00 C ATOM 0 H ILE A 64 2.625 -3.877 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 64 3.822 -1.797 0.147 1.00 0.00 H new ATOM 0 HB ILE A 64 0.865 -2.335 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.965 -2.219 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.728 -1.015 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.716 0.095 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.562 -0.743 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.490 0.178 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.653 -0.027 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.469 0.674 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.726 -0.549 -1.975 1.00 0.00 H new ATOM 616 N VAL A 65 3.565 -3.015 2.308 1.00 0.00 N ATOM 617 CA VAL A 65 3.438 -3.707 3.592 1.00 0.00 C ATOM 618 C VAL A 65 2.530 -2.943 4.554 1.00 0.00 C ATOM 619 O VAL A 65 2.900 -1.890 5.065 1.00 0.00 O ATOM 620 CB VAL A 65 4.818 -3.907 4.260 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.737 -4.958 5.356 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.870 -4.288 3.229 1.00 0.00 C ATOM 0 H VAL A 65 4.319 -2.329 2.272 1.00 0.00 H new ATOM 0 HA VAL A 65 2.994 -4.679 3.379 1.00 0.00 H new ATOM 0 HB VAL A 65 5.114 -2.961 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.719 -5.083 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.022 -4.639 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.413 -5.906 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.832 -4.423 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.580 -5.218 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.953 -3.496 2.484 1.00 0.00 H new ATOM 632 N PHE A 66 1.344 -3.485 4.808 1.00 0.00 N ATOM 633 CA PHE A 66 0.388 -2.848 5.712 1.00 0.00 C ATOM 634 C PHE A 66 0.454 -3.457 7.112 1.00 0.00 C ATOM 635 O PHE A 66 0.014 -4.587 7.332 1.00 0.00 O ATOM 636 CB PHE A 66 -1.033 -2.976 5.160 1.00 0.00 C ATOM 637 CG PHE A 66 -1.283 -2.133 3.943 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.446 -0.762 4.054 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.351 -2.711 2.685 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.670 0.016 2.935 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.575 -1.939 1.564 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.735 -0.573 1.689 1.00 0.00 C ATOM 0 H PHE A 66 1.020 -4.363 4.402 1.00 0.00 H new ATOM 0 HA PHE A 66 0.654 -1.793 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.226 -4.020 4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.743 -2.695 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.397 -0.296 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.227 -3.779 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.794 1.084 3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.625 -2.402 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.911 0.033 0.813 1.00 0.00 H new ATOM 652 N ASP A 67 1.004 -2.701 8.055 1.00 0.00 N ATOM 653 CA ASP A 67 1.127 -3.158 9.437 1.00 0.00 C ATOM 654 C ASP A 67 -0.073 -2.691 10.266 1.00 0.00 C ATOM 655 O ASP A 67 -0.187 -1.508 10.589 1.00 0.00 O ATOM 656 CB ASP A 67 2.428 -2.630 10.050 1.00 0.00 C ATOM 657 CG ASP A 67 2.949 -3.513 11.169 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.448 -3.390 12.306 1.00 0.00 O ATOM 659 OD2 ASP A 67 3.854 -4.332 10.905 1.00 0.00 O ATOM 0 H ASP A 67 1.374 -1.765 7.888 1.00 0.00 H new ATOM 0 HA ASP A 67 1.148 -4.248 9.442 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.186 -2.552 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.262 -1.624 10.434 1.00 0.00 H new ATOM 664 N ARG A 68 -0.963 -3.621 10.610 1.00 0.00 N ATOM 665 CA ARG A 68 -2.154 -3.285 11.393 1.00 0.00 C ATOM 666 C ARG A 68 -1.823 -3.089 12.874 1.00 0.00 C ATOM 667 O ARG A 68 -1.663 -4.054 13.626 1.00 0.00 O ATOM 668 CB ARG A 68 -3.226 -4.367 11.239 1.00 0.00 C ATOM 669 CG ARG A 68 -4.571 -3.974 11.833 1.00 0.00 C ATOM 670 CD ARG A 68 -5.637 -3.826 10.761 1.00 0.00 C ATOM 671 NE ARG A 68 -6.959 -3.569 11.332 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.871 -4.505 11.547 1.00 0.00 C ATOM 673 NH1 ARG A 68 -7.633 -5.759 11.247 1.00 0.00 N ATOM 674 NH2 ARG A 68 -9.040 -4.183 12.045 1.00 0.00 N ATOM 0 H ARG A 68 -0.884 -4.607 10.361 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.538 -2.342 11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.356 -4.591 10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.879 -5.283 11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.884 -4.728 12.556 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.468 -3.035 12.376 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.367 -3.009 10.092 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.673 -4.733 10.158 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.193 -2.608 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.735 -6.025 10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.345 -6.468 11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.249 -3.210 12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.741 -4.906 12.210 1.00 0.00 H new ATOM 688 N LYS A 69 -1.730 -1.828 13.281 1.00 0.00 N ATOM 689 CA LYS A 69 -1.432 -1.477 14.667 1.00 0.00 C ATOM 690 C LYS A 69 -2.726 -1.187 15.435 1.00 0.00 C ATOM 691 O LYS A 69 -2.840 -1.485 16.625 1.00 0.00 O ATOM 692 CB LYS A 69 -0.496 -0.261 14.704 1.00 0.00 C ATOM 693 CG LYS A 69 -0.277 0.321 16.093 1.00 0.00 C ATOM 694 CD LYS A 69 0.501 -0.635 16.983 1.00 0.00 C ATOM 695 CE LYS A 69 1.528 0.101 17.830 1.00 0.00 C ATOM 696 NZ LYS A 69 2.076 -0.761 18.912 1.00 0.00 N ATOM 0 H LYS A 69 -1.858 -1.025 12.666 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.934 -2.319 15.148 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.469 -0.548 14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.904 0.516 14.058 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.263 1.265 16.012 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.241 0.543 16.551 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.190 -1.172 17.633 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.003 -1.380 16.366 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.343 0.447 17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.069 0.987 18.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.772 -0.222 19.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.303 -1.070 19.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.537 -1.594 18.493 1.00 0.00 H new ATOM 710 N ASP A 70 -3.703 -0.612 14.743 1.00 0.00 N ATOM 711 CA ASP A 70 -4.989 -0.286 15.354 1.00 0.00 C ATOM 712 C ASP A 70 -6.089 -1.215 14.829 1.00 0.00 C ATOM 713 O ASP A 70 -6.237 -1.391 13.619 1.00 0.00 O ATOM 714 CB ASP A 70 -5.349 1.177 15.077 1.00 0.00 C ATOM 715 CG ASP A 70 -6.252 1.768 16.141 1.00 0.00 C ATOM 716 OD1 ASP A 70 -7.487 1.671 15.988 1.00 0.00 O ATOM 717 OD2 ASP A 70 -5.726 2.326 17.126 1.00 0.00 O ATOM 0 H ASP A 70 -3.630 -0.361 13.757 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.906 -0.430 16.431 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.434 1.766 15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.842 1.248 14.107 1.00 0.00 H new ATOM 722 N PRO A 71 -6.896 -1.800 15.738 1.00 0.00 N ATOM 723 CA PRO A 71 -7.982 -2.723 15.374 1.00 0.00 C ATOM 724 C PRO A 71 -9.245 -2.008 14.888 1.00 0.00 C ATOM 725 O PRO A 71 -10.363 -2.409 15.214 1.00 0.00 O ATOM 726 CB PRO A 71 -8.252 -3.446 16.691 1.00 0.00 C ATOM 727 CG PRO A 71 -7.966 -2.419 17.730 1.00 0.00 C ATOM 728 CD PRO A 71 -6.819 -1.599 17.197 1.00 0.00 C ATOM 0 HA PRO A 71 -7.706 -3.373 14.544 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.282 -3.797 16.750 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.610 -4.320 16.806 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.840 -1.795 17.913 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.704 -2.886 18.679 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.921 -0.547 17.462 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.864 -1.938 17.598 1.00 0.00 H new ATOM 736 N SER A 72 -9.061 -0.946 14.111 1.00 0.00 N ATOM 737 CA SER A 72 -10.186 -0.178 13.575 1.00 0.00 C ATOM 738 C SER A 72 -10.969 -0.994 12.547 1.00 0.00 C ATOM 739 O SER A 72 -10.377 -1.648 11.686 1.00 0.00 O ATOM 740 CB SER A 72 -9.689 1.114 12.922 1.00 0.00 C ATOM 741 OG SER A 72 -10.753 1.811 12.292 1.00 0.00 O ATOM 0 H SER A 72 -8.144 -0.595 13.836 1.00 0.00 H new ATOM 0 HA SER A 72 -10.846 0.066 14.408 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.228 1.752 13.676 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.918 0.881 12.188 1.00 0.00 H new ATOM 0 HG SER A 72 -10.409 2.633 11.884 1.00 0.00 H new ATOM 747 N PRO A 73 -12.315 -0.961 12.614 1.00 0.00 N ATOM 748 CA PRO A 73 -13.175 -1.699 11.677 1.00 0.00 C ATOM 749 C PRO A 73 -13.054 -1.187 10.241 1.00 0.00 C ATOM 750 O PRO A 73 -13.262 -1.934 9.285 1.00 0.00 O ATOM 751 CB PRO A 73 -14.588 -1.452 12.214 1.00 0.00 C ATOM 752 CG PRO A 73 -14.479 -0.191 12.999 1.00 0.00 C ATOM 753 CD PRO A 73 -13.105 -0.206 13.604 1.00 0.00 C ATOM 0 HA PRO A 73 -12.902 -2.753 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.308 -1.352 11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.925 -2.279 12.839 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.616 0.681 12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.246 -0.143 13.772 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.716 0.802 13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.099 -0.691 14.580 1.00 0.00 H new ATOM 761 N CYS A 74 -12.700 0.089 10.096 1.00 0.00 N ATOM 762 CA CYS A 74 -12.546 0.701 8.776 1.00 0.00 C ATOM 763 C CYS A 74 -11.179 0.374 8.169 1.00 0.00 C ATOM 764 O CYS A 74 -10.918 0.677 7.007 1.00 0.00 O ATOM 765 CB CYS A 74 -12.720 2.219 8.869 1.00 0.00 C ATOM 766 SG CYS A 74 -14.271 2.830 8.168 1.00 0.00 S ATOM 0 H CYS A 74 -12.514 0.720 10.876 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.318 0.289 8.127 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.665 2.517 9.916 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.888 2.701 8.357 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.326 4.122 8.296 1.00 0.00 H new ATOM 772 N LEU A 75 -10.309 -0.245 8.965 1.00 0.00 N ATOM 773 CA LEU A 75 -8.972 -0.607 8.506 1.00 0.00 C ATOM 774 C LEU A 75 -8.784 -2.126 8.470 1.00 0.00 C ATOM 775 O LEU A 75 -7.676 -2.616 8.248 1.00 0.00 O ATOM 776 CB LEU A 75 -7.914 0.021 9.414 1.00 0.00 C ATOM 777 CG LEU A 75 -7.699 1.524 9.226 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.972 2.104 10.428 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.922 1.802 7.949 1.00 0.00 C ATOM 0 H LEU A 75 -10.507 -0.506 9.931 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.856 -0.225 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.194 -0.162 10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.965 -0.489 9.245 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.674 2.004 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.825 3.174 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.566 1.938 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.003 1.616 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.781 2.877 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.950 1.312 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.478 1.417 7.094 1.00 0.00 H new ATOM 791 N ASP A 76 -9.873 -2.866 8.682 1.00 0.00 N ATOM 792 CA ASP A 76 -9.828 -4.330 8.683 1.00 0.00 C ATOM 793 C ASP A 76 -9.452 -4.892 7.308 1.00 0.00 C ATOM 794 O ASP A 76 -8.719 -5.877 7.206 1.00 0.00 O ATOM 795 CB ASP A 76 -11.182 -4.891 9.127 1.00 0.00 C ATOM 796 CG ASP A 76 -11.050 -6.191 9.898 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.918 -6.134 11.141 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.075 -7.265 9.262 1.00 0.00 O ATOM 0 H ASP A 76 -10.799 -2.475 8.856 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.054 -4.638 9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.690 -4.154 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.809 -5.055 8.250 1.00 0.00 H new ATOM 803 N GLN A 77 -9.957 -4.261 6.256 1.00 0.00 N ATOM 804 CA GLN A 77 -9.670 -4.702 4.895 1.00 0.00 C ATOM 805 C GLN A 77 -9.087 -3.564 4.060 1.00 0.00 C ATOM 806 O GLN A 77 -9.229 -2.391 4.404 1.00 0.00 O ATOM 807 CB GLN A 77 -10.943 -5.234 4.231 1.00 0.00 C ATOM 808 CG GLN A 77 -11.291 -6.661 4.629 1.00 0.00 C ATOM 809 CD GLN A 77 -12.645 -6.765 5.307 1.00 0.00 C ATOM 810 OE1 GLN A 77 -12.949 -6.023 6.237 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.469 -7.691 4.843 1.00 0.00 N ATOM 0 H GLN A 77 -10.566 -3.445 6.317 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.931 -5.502 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.777 -4.581 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.824 -5.187 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.284 -7.294 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.522 -7.045 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.180 -8.289 4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.393 -7.807 5.260 1.00 0.00 H new ATOM 820 N ILE A 78 -8.423 -3.919 2.968 1.00 0.00 N ATOM 821 CA ILE A 78 -7.832 -2.928 2.075 1.00 0.00 C ATOM 822 C ILE A 78 -8.108 -3.280 0.614 1.00 0.00 C ATOM 823 O ILE A 78 -7.932 -4.424 0.189 1.00 0.00 O ATOM 824 CB ILE A 78 -6.306 -2.773 2.301 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.743 -1.682 1.386 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.576 -4.092 2.072 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.201 -0.486 2.135 1.00 0.00 C ATOM 0 H ILE A 78 -8.279 -4.886 2.678 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.302 -1.973 2.309 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.146 -2.480 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.948 -2.107 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.527 -1.350 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.508 -3.950 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.955 -4.843 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.743 -4.427 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.819 0.246 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.998 -0.036 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.395 -0.805 2.795 1.00 0.00 H new ATOM 839 N VAL A 79 -8.565 -2.300 -0.150 1.00 0.00 N ATOM 840 CA VAL A 79 -8.859 -2.514 -1.558 1.00 0.00 C ATOM 841 C VAL A 79 -8.326 -1.367 -2.414 1.00 0.00 C ATOM 842 O VAL A 79 -8.530 -0.194 -2.108 1.00 0.00 O ATOM 843 CB VAL A 79 -10.377 -2.711 -1.805 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.198 -1.773 -0.937 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.731 -2.526 -3.277 1.00 0.00 C ATOM 0 H VAL A 79 -8.740 -1.351 0.180 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.350 -3.431 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.621 -3.736 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.259 -1.933 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.987 -1.972 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.938 -0.740 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.803 -2.671 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.458 -1.519 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.186 -3.255 -3.877 1.00 0.00 H new ATOM 855 N PHE A 80 -7.611 -1.730 -3.470 1.00 0.00 N ATOM 856 CA PHE A 80 -7.052 -0.761 -4.401 1.00 0.00 C ATOM 857 C PHE A 80 -8.021 -0.562 -5.571 1.00 0.00 C ATOM 858 O PHE A 80 -8.071 -1.388 -6.484 1.00 0.00 O ATOM 859 CB PHE A 80 -5.697 -1.254 -4.917 1.00 0.00 C ATOM 860 CG PHE A 80 -4.535 -0.903 -4.029 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.332 -1.570 -2.831 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.640 0.089 -4.398 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.262 -1.255 -2.016 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.567 0.411 -3.586 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.378 -0.263 -2.394 1.00 0.00 C ATOM 0 H PHE A 80 -7.403 -2.701 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.906 0.191 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.737 -2.337 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.523 -0.834 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.020 -2.347 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.782 0.616 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.117 -1.783 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.878 1.188 -3.883 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.540 -0.014 -1.759 1.00 0.00 H new ATOM 875 N PRO A 81 -8.791 0.544 -5.572 1.00 0.00 N ATOM 876 CA PRO A 81 -9.782 0.821 -6.627 1.00 0.00 C ATOM 877 C PRO A 81 -9.158 1.087 -7.998 1.00 0.00 C ATOM 878 O PRO A 81 -9.845 1.041 -9.018 1.00 0.00 O ATOM 879 CB PRO A 81 -10.508 2.068 -6.119 1.00 0.00 C ATOM 880 CG PRO A 81 -9.548 2.724 -5.187 1.00 0.00 C ATOM 881 CD PRO A 81 -8.750 1.615 -4.561 1.00 0.00 C ATOM 0 HA PRO A 81 -10.432 -0.039 -6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.774 2.732 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.435 1.804 -5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.899 3.418 -5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.075 3.301 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.727 1.927 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.186 1.291 -3.616 1.00 0.00 H new ATOM 889 N ASP A 82 -7.858 1.362 -8.023 1.00 0.00 N ATOM 890 CA ASP A 82 -7.164 1.632 -9.277 1.00 0.00 C ATOM 891 C ASP A 82 -6.382 0.408 -9.776 1.00 0.00 C ATOM 892 O ASP A 82 -5.844 0.419 -10.881 1.00 0.00 O ATOM 893 CB ASP A 82 -6.225 2.828 -9.107 1.00 0.00 C ATOM 894 CG ASP A 82 -6.977 4.118 -8.828 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.784 4.532 -9.684 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.755 4.712 -7.748 1.00 0.00 O ATOM 0 H ASP A 82 -7.266 1.404 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.917 1.865 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.533 2.630 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.626 2.948 -10.010 1.00 0.00 H new ATOM 901 N PHE A 83 -6.317 -0.646 -8.959 1.00 0.00 N ATOM 902 CA PHE A 83 -5.594 -1.862 -9.340 1.00 0.00 C ATOM 903 C PHE A 83 -6.506 -3.096 -9.343 1.00 0.00 C ATOM 904 O PHE A 83 -6.219 -4.083 -10.020 1.00 0.00 O ATOM 905 CB PHE A 83 -4.409 -2.091 -8.395 1.00 0.00 C ATOM 906 CG PHE A 83 -3.228 -1.211 -8.695 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.130 0.051 -8.133 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.221 -1.645 -9.541 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.049 0.864 -8.409 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.136 -0.834 -9.821 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.053 0.422 -9.254 1.00 0.00 C ATOM 0 H PHE A 83 -6.752 -0.683 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.228 -1.718 -10.357 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.733 -1.915 -7.369 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.100 -3.135 -8.457 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.908 0.403 -7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.284 -2.627 -9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.983 1.846 -7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.356 -1.182 -10.481 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.208 1.058 -9.472 1.00 0.00 H new ATOM 921 N GLY A 84 -7.599 -3.036 -8.585 1.00 0.00 N ATOM 922 CA GLY A 84 -8.521 -4.161 -8.512 1.00 0.00 C ATOM 923 C GLY A 84 -8.070 -5.210 -7.509 1.00 0.00 C ATOM 924 O GLY A 84 -8.401 -6.389 -7.631 1.00 0.00 O ATOM 0 H GLY A 84 -7.864 -2.229 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.511 -3.799 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.612 -4.618 -9.497 1.00 0.00 H new ATOM 928 N VAL A 85 -7.318 -4.768 -6.507 1.00 0.00 N ATOM 929 CA VAL A 85 -6.791 -5.660 -5.479 1.00 0.00 C ATOM 930 C VAL A 85 -7.512 -5.467 -4.141 1.00 0.00 C ATOM 931 O VAL A 85 -7.493 -4.383 -3.569 1.00 0.00 O ATOM 932 CB VAL A 85 -5.276 -5.421 -5.289 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.752 -6.125 -4.047 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.508 -5.868 -6.524 1.00 0.00 C ATOM 0 H VAL A 85 -7.058 -3.789 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.962 -6.683 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.122 -4.351 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.684 -5.935 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.273 -5.747 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.923 -7.198 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.443 -5.693 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.680 -6.931 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.850 -5.301 -7.390 1.00 0.00 H new ATOM 944 N HIS A 86 -8.147 -6.530 -3.651 1.00 0.00 N ATOM 945 CA HIS A 86 -8.868 -6.479 -2.373 1.00 0.00 C ATOM 946 C HIS A 86 -8.352 -7.561 -1.417 1.00 0.00 C ATOM 947 O HIS A 86 -8.411 -8.753 -1.726 1.00 0.00 O ATOM 948 CB HIS A 86 -10.384 -6.642 -2.590 1.00 0.00 C ATOM 949 CG HIS A 86 -10.762 -7.626 -3.660 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.322 -8.934 -3.675 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.550 -7.487 -4.754 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.820 -9.555 -4.728 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.569 -8.698 -5.398 1.00 0.00 N ATOM 0 H HIS A 86 -8.179 -7.437 -4.116 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.687 -5.502 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.840 -6.954 -1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.808 -5.670 -2.843 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.707 -9.356 -2.979 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.067 -6.590 -5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.645 -10.587 -4.996 1.00 0.00 H new ATOM 961 N ALA A 87 -7.850 -7.142 -0.258 1.00 0.00 N ATOM 962 CA ALA A 87 -7.316 -8.080 0.730 1.00 0.00 C ATOM 963 C ALA A 87 -7.702 -7.692 2.161 1.00 0.00 C ATOM 964 O ALA A 87 -8.282 -6.632 2.396 1.00 0.00 O ATOM 965 CB ALA A 87 -5.802 -8.167 0.599 1.00 0.00 C ATOM 0 H ALA A 87 -7.801 -6.162 0.021 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.757 -9.056 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.412 -8.867 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.543 -8.514 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.365 -7.183 0.766 1.00 0.00 H new ATOM 971 N ASN A 88 -7.371 -8.562 3.112 1.00 0.00 N ATOM 972 CA ASN A 88 -7.673 -8.321 4.524 1.00 0.00 C ATOM 973 C ASN A 88 -6.388 -8.165 5.340 1.00 0.00 C ATOM 974 O ASN A 88 -5.405 -8.866 5.102 1.00 0.00 O ATOM 975 CB ASN A 88 -8.517 -9.466 5.100 1.00 0.00 C ATOM 976 CG ASN A 88 -8.259 -10.797 4.412 1.00 0.00 C ATOM 977 OD1 ASN A 88 -9.146 -11.367 3.784 1.00 0.00 O ATOM 978 ND2 ASN A 88 -7.040 -11.300 4.524 1.00 0.00 N ATOM 0 H ASN A 88 -6.892 -9.444 2.931 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.242 -7.393 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.305 -9.566 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.573 -9.214 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.813 -12.190 4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.328 -10.798 5.054 1.00 0.00 H new ATOM 985 N LEU A 89 -6.405 -7.256 6.313 1.00 0.00 N ATOM 986 CA LEU A 89 -5.231 -7.014 7.150 1.00 0.00 C ATOM 987 C LEU A 89 -5.378 -7.668 8.527 1.00 0.00 C ATOM 988 O LEU A 89 -6.340 -7.408 9.253 1.00 0.00 O ATOM 989 CB LEU A 89 -4.986 -5.511 7.309 1.00 0.00 C ATOM 990 CG LEU A 89 -4.995 -4.706 6.007 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.899 -3.217 6.300 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.855 -5.145 5.101 1.00 0.00 C ATOM 0 H LEU A 89 -7.214 -6.678 6.541 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.374 -7.465 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.748 -5.104 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.024 -5.366 7.800 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.937 -4.896 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.907 -2.661 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.748 -2.911 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.973 -3.011 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.877 -4.562 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.904 -4.985 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.966 -6.203 4.863 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.414 -8.525 8.905 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.432 -9.220 10.196 1.00 0.00 C ATOM 1006 C PRO A 90 -4.011 -8.319 11.358 1.00 0.00 C ATOM 1007 O PRO A 90 -2.972 -7.660 11.306 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.424 -10.354 9.994 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.468 -9.848 8.964 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.231 -8.876 8.100 1.00 0.00 C ATOM 0 HA PRO A 90 -5.432 -9.561 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.910 -10.594 10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.919 -11.266 9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.615 -9.359 9.435 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.074 -10.670 8.366 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.632 -7.995 7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.516 -9.327 7.150 1.00 0.00 H new ATOM 1018 N MET A 91 -4.824 -8.297 12.413 1.00 0.00 N ATOM 1019 CA MET A 91 -4.546 -7.470 13.586 1.00 0.00 C ATOM 1020 C MET A 91 -3.293 -7.941 14.330 1.00 0.00 C ATOM 1021 O MET A 91 -3.183 -9.105 14.714 1.00 0.00 O ATOM 1022 CB MET A 91 -5.751 -7.471 14.530 1.00 0.00 C ATOM 1023 CG MET A 91 -5.539 -6.655 15.794 1.00 0.00 C ATOM 1024 SD MET A 91 -5.005 -4.967 15.454 1.00 0.00 S ATOM 1025 CE MET A 91 -4.075 -4.605 16.940 1.00 0.00 C ATOM 0 H MET A 91 -5.682 -8.844 12.479 1.00 0.00 H new ATOM 0 HA MET A 91 -4.361 -6.454 13.237 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.618 -7.081 13.998 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.983 -8.499 14.807 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.467 -6.630 16.365 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.794 -7.148 16.419 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.233 -3.564 17.224 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.411 -5.256 17.747 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.014 -4.774 16.755 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.350 -7.020 14.522 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.113 -7.344 15.214 1.00 0.00 C ATOM 1037 C GLY A 92 -0.036 -7.871 14.281 1.00 0.00 C ATOM 1038 O GLY A 92 1.065 -8.208 14.720 1.00 0.00 O ATOM 0 H GLY A 92 -2.422 -6.052 14.209 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.743 -6.454 15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.317 -8.089 15.983 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.352 -7.938 12.991 1.00 0.00 N ATOM 1043 CA GLU A 93 0.586 -8.434 11.988 1.00 0.00 C ATOM 1044 C GLU A 93 0.616 -7.511 10.769 1.00 0.00 C ATOM 1045 O GLU A 93 -0.119 -6.524 10.703 1.00 0.00 O ATOM 1046 CB GLU A 93 0.207 -9.856 11.559 1.00 0.00 C ATOM 1047 CG GLU A 93 0.198 -10.862 12.701 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.246 -12.244 12.262 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.463 -12.521 12.312 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.623 -13.049 11.866 1.00 0.00 O ATOM 0 H GLU A 93 -1.256 -7.653 12.614 1.00 0.00 H new ATOM 0 HA GLU A 93 1.581 -8.452 12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.781 -9.835 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.908 -10.194 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.198 -10.926 13.131 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.466 -10.505 13.489 1.00 0.00 H new ATOM 1057 N GLU A 94 1.479 -7.827 9.810 1.00 0.00 N ATOM 1058 CA GLU A 94 1.593 -7.019 8.600 1.00 0.00 C ATOM 1059 C GLU A 94 1.260 -7.832 7.346 1.00 0.00 C ATOM 1060 O GLU A 94 1.708 -8.968 7.186 1.00 0.00 O ATOM 1061 CB GLU A 94 2.997 -6.415 8.486 1.00 0.00 C ATOM 1062 CG GLU A 94 4.118 -7.433 8.613 1.00 0.00 C ATOM 1063 CD GLU A 94 5.103 -7.092 9.716 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.885 -7.534 10.864 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.099 -6.390 9.429 1.00 0.00 O ATOM 0 H GLU A 94 2.106 -8.631 9.845 1.00 0.00 H new ATOM 0 HA GLU A 94 0.866 -6.210 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.087 -5.908 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.119 -5.656 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.689 -8.416 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.651 -7.499 7.665 1.00 0.00 H new ATOM 1072 N TYR A 95 0.461 -7.239 6.466 1.00 0.00 N ATOM 1073 CA TYR A 95 0.065 -7.887 5.220 1.00 0.00 C ATOM 1074 C TYR A 95 0.655 -7.140 4.028 1.00 0.00 C ATOM 1075 O TYR A 95 0.499 -5.926 3.908 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.461 -7.938 5.109 1.00 0.00 C ATOM 1077 CG TYR A 95 -1.973 -9.033 4.201 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.098 -10.337 4.661 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.333 -8.762 2.888 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.567 -11.342 3.836 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.803 -9.761 2.057 1.00 0.00 C ATOM 1082 CZ TYR A 95 -2.919 -11.048 2.534 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.387 -12.046 1.711 1.00 0.00 O ATOM 0 H TYR A 95 0.072 -6.305 6.593 1.00 0.00 H new ATOM 0 HA TYR A 95 0.449 -8.907 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.883 -8.078 6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.821 -6.977 4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.824 -10.570 5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.244 -7.754 2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.658 -12.352 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.078 -9.534 1.038 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.591 -11.673 0.828 1.00 0.00 H new ATOM 1093 N VAL A 96 1.333 -7.864 3.149 1.00 0.00 N ATOM 1094 CA VAL A 96 1.955 -7.244 1.985 1.00 0.00 C ATOM 1095 C VAL A 96 1.117 -7.416 0.709 1.00 0.00 C ATOM 1096 O VAL A 96 0.560 -8.483 0.441 1.00 0.00 O ATOM 1097 CB VAL A 96 3.397 -7.779 1.769 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.411 -9.096 1.004 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.248 -6.739 1.061 1.00 0.00 C ATOM 0 H VAL A 96 1.467 -8.873 3.217 1.00 0.00 H new ATOM 0 HA VAL A 96 2.008 -6.175 2.193 1.00 0.00 H new ATOM 0 HB VAL A 96 3.823 -7.974 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.440 -9.432 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.851 -9.847 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.952 -8.953 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.255 -7.130 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.807 -6.507 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.293 -5.833 1.665 1.00 0.00 H new ATOM 1109 N VAL A 97 1.005 -6.330 -0.052 1.00 0.00 N ATOM 1110 CA VAL A 97 0.261 -6.332 -1.310 1.00 0.00 C ATOM 1111 C VAL A 97 1.212 -6.112 -2.486 1.00 0.00 C ATOM 1112 O VAL A 97 1.788 -5.035 -2.638 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.836 -5.242 -1.321 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.466 -5.107 -2.704 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.901 -5.551 -0.280 1.00 0.00 C ATOM 0 H VAL A 97 1.424 -5.430 0.183 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.222 -7.305 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.367 -4.290 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.233 -4.333 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.698 -4.835 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.917 -6.056 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.666 -4.775 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.357 -6.516 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.444 -5.584 0.709 1.00 0.00 H new ATOM 1125 N GLU A 98 1.379 -7.140 -3.309 1.00 0.00 N ATOM 1126 CA GLU A 98 2.272 -7.058 -4.464 1.00 0.00 C ATOM 1127 C GLU A 98 1.519 -6.644 -5.729 1.00 0.00 C ATOM 1128 O GLU A 98 0.605 -7.339 -6.177 1.00 0.00 O ATOM 1129 CB GLU A 98 2.976 -8.399 -4.687 1.00 0.00 C ATOM 1130 CG GLU A 98 4.321 -8.502 -3.985 1.00 0.00 C ATOM 1131 CD GLU A 98 4.708 -9.933 -3.657 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.502 -10.817 -4.516 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.221 -10.168 -2.543 1.00 0.00 O ATOM 0 H GLU A 98 0.910 -8.039 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 98 3.017 -6.292 -4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.329 -9.203 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.121 -8.551 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.090 -8.059 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.290 -7.919 -3.064 1.00 0.00 H new ATOM 1140 N ILE A 99 1.910 -5.507 -6.298 1.00 0.00 N ATOM 1141 CA ILE A 99 1.280 -4.992 -7.513 1.00 0.00 C ATOM 1142 C ILE A 99 2.326 -4.515 -8.520 1.00 0.00 C ATOM 1143 O ILE A 99 3.462 -4.207 -8.155 1.00 0.00 O ATOM 1144 CB ILE A 99 0.307 -3.828 -7.210 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.739 -3.072 -5.948 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.115 -4.350 -7.063 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.033 -1.791 -5.712 1.00 0.00 C ATOM 0 H ILE A 99 2.663 -4.922 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 99 0.715 -5.820 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 99 0.334 -3.131 -8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.615 -3.725 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.801 -2.838 -6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.787 -3.519 -6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.421 -4.837 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.156 -5.069 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.327 -1.311 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.110 -1.119 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.093 -2.020 -5.606 1.00 0.00 H new ATOM 1159 N THR A 100 1.938 -4.455 -9.788 1.00 0.00 N ATOM 1160 CA THR A 100 2.847 -4.018 -10.844 1.00 0.00 C ATOM 1161 C THR A 100 2.313 -2.786 -11.574 1.00 0.00 C ATOM 1162 O THR A 100 1.487 -2.901 -12.483 1.00 0.00 O ATOM 1163 CB THR A 100 3.095 -5.140 -11.874 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.251 -6.399 -11.206 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.337 -4.849 -12.706 1.00 0.00 C ATOM 0 H THR A 100 1.003 -4.702 -10.111 1.00 0.00 H new ATOM 0 HA THR A 100 3.787 -3.763 -10.355 1.00 0.00 H new ATOM 0 HB THR A 100 2.232 -5.185 -12.538 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.406 -7.104 -11.869 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.490 -5.654 -13.425 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.206 -3.907 -13.239 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.205 -4.777 -12.051 1.00 0.00 H new ATOM 1173 N PRO A 101 2.777 -1.585 -11.183 1.00 0.00 N ATOM 1174 CA PRO A 101 2.353 -0.324 -11.806 1.00 0.00 C ATOM 1175 C PRO A 101 2.941 -0.141 -13.208 1.00 0.00 C ATOM 1176 O PRO A 101 4.094 0.258 -13.365 1.00 0.00 O ATOM 1177 CB PRO A 101 2.903 0.736 -10.850 1.00 0.00 C ATOM 1178 CG PRO A 101 4.094 0.095 -10.229 1.00 0.00 C ATOM 1179 CD PRO A 101 3.751 -1.361 -10.095 1.00 0.00 C ATOM 0 HA PRO A 101 1.273 -0.276 -11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.175 1.648 -11.382 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.164 1.014 -10.098 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.980 0.233 -10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.313 0.536 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.632 -1.993 -10.208 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.321 -1.584 -9.119 1.00 0.00 H new ATOM 1187 N GLU A 102 2.145 -0.434 -14.231 1.00 0.00 N ATOM 1188 CA GLU A 102 2.604 -0.309 -15.615 1.00 0.00 C ATOM 1189 C GLU A 102 2.215 1.043 -16.226 1.00 0.00 C ATOM 1190 O GLU A 102 2.476 1.301 -17.402 1.00 0.00 O ATOM 1191 CB GLU A 102 2.037 -1.451 -16.462 1.00 0.00 C ATOM 1192 CG GLU A 102 2.520 -2.829 -16.027 1.00 0.00 C ATOM 1193 CD GLU A 102 1.387 -3.831 -15.877 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.210 -3.414 -15.928 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.680 -5.033 -15.710 1.00 0.00 O ATOM 0 H GLU A 102 1.183 -0.758 -14.132 1.00 0.00 H new ATOM 0 HA GLU A 102 3.692 -0.367 -15.608 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.948 -1.424 -16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.312 -1.291 -17.504 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.237 -3.205 -16.757 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.049 -2.741 -15.078 1.00 0.00 H new ATOM 1202 N GLN A 103 1.610 1.906 -15.419 1.00 0.00 N ATOM 1203 CA GLN A 103 1.191 3.228 -15.878 1.00 0.00 C ATOM 1204 C GLN A 103 1.661 4.313 -14.910 1.00 0.00 C ATOM 1205 O GLN A 103 1.510 4.182 -13.697 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.332 3.285 -16.023 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.798 3.614 -17.432 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.310 3.613 -17.562 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.945 2.562 -17.564 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.896 4.794 -17.671 1.00 0.00 N ATOM 0 H GLN A 103 1.397 1.715 -14.440 1.00 0.00 H new ATOM 0 HA GLN A 103 1.648 3.408 -16.851 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.753 2.325 -15.725 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.726 4.033 -15.335 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.413 4.593 -17.719 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.377 2.889 -18.129 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.334 5.645 -17.665 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.910 4.854 -17.761 1.00 0.00 H new ATOM 1219 N ALA A 104 2.233 5.381 -15.453 1.00 0.00 N ATOM 1220 CA ALA A 104 2.724 6.484 -14.632 1.00 0.00 C ATOM 1221 C ALA A 104 1.630 7.521 -14.387 1.00 0.00 C ATOM 1222 O ALA A 104 0.991 8.001 -15.323 1.00 0.00 O ATOM 1223 CB ALA A 104 3.936 7.132 -15.285 1.00 0.00 C ATOM 0 H ALA A 104 2.369 5.508 -16.456 1.00 0.00 H new ATOM 0 HA ALA A 104 3.022 6.078 -13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.290 7.952 -14.661 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.729 6.392 -15.396 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.658 7.516 -16.266 1.00 0.00 H new ATOM 1229 N GLY A 105 1.422 7.857 -13.120 1.00 0.00 N ATOM 1230 CA GLY A 105 0.406 8.830 -12.766 1.00 0.00 C ATOM 1231 C GLY A 105 0.037 8.783 -11.294 1.00 0.00 C ATOM 1232 O GLY A 105 0.812 8.299 -10.466 1.00 0.00 O ATOM 0 H GLY A 105 1.940 7.472 -12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.763 9.829 -13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.486 8.652 -13.366 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.152 9.281 -10.971 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.628 9.300 -9.590 1.00 0.00 C ATOM 1238 C GLU A 106 -2.626 8.173 -9.323 1.00 0.00 C ATOM 1239 O GLU A 106 -3.629 8.029 -10.024 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.270 10.652 -9.269 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.402 11.546 -8.396 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.904 12.977 -8.342 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -2.034 13.603 -9.416 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.166 13.475 -7.223 1.00 0.00 O ATOM 0 H GLU A 106 -1.805 9.678 -11.647 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.765 9.146 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.489 11.171 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.223 10.483 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.369 11.139 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.381 11.538 -8.777 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.335 7.377 -8.303 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.187 6.258 -7.908 1.00 0.00 C ATOM 1253 C PHE A 107 -3.697 6.471 -6.480 1.00 0.00 C ATOM 1254 O PHE A 107 -3.264 7.401 -5.800 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.409 4.941 -8.014 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.110 4.533 -9.431 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.984 5.007 -10.080 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.958 3.678 -10.111 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.711 4.637 -11.382 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.690 3.302 -11.412 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.565 3.784 -12.049 1.00 0.00 C ATOM 0 H PHE A 107 -1.502 7.487 -7.725 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.044 6.206 -8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.471 5.037 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.982 4.150 -7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.311 5.674 -9.562 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.841 3.300 -9.618 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.171 5.015 -11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.360 2.632 -11.930 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.354 3.494 -13.068 1.00 0.00 H new ATOM 1271 N SER A 108 -4.604 5.617 -6.017 1.00 0.00 N ATOM 1272 CA SER A 108 -5.157 5.769 -4.671 1.00 0.00 C ATOM 1273 C SER A 108 -5.672 4.450 -4.096 1.00 0.00 C ATOM 1274 O SER A 108 -5.960 3.504 -4.831 1.00 0.00 O ATOM 1275 CB SER A 108 -6.298 6.790 -4.690 1.00 0.00 C ATOM 1276 OG SER A 108 -7.406 6.305 -5.432 1.00 0.00 O ATOM 0 H SER A 108 -4.969 4.823 -6.543 1.00 0.00 H new ATOM 0 HA SER A 108 -4.346 6.115 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.609 7.011 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.946 7.725 -5.126 1.00 0.00 H new ATOM 0 HG SER A 108 -7.084 5.794 -6.204 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.774 4.403 -2.769 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.276 3.220 -2.066 1.00 0.00 C ATOM 1284 C PHE A 109 -7.035 3.615 -0.794 1.00 0.00 C ATOM 1285 O PHE A 109 -6.574 4.452 -0.012 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.137 2.240 -1.732 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.971 2.842 -0.987 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.951 3.486 -1.668 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.891 2.745 0.394 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.877 4.025 -0.989 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.817 3.282 1.080 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.809 3.922 0.387 1.00 0.00 C ATOM 0 H PHE A 109 -5.514 5.175 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.971 2.713 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.545 1.423 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.769 1.805 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.997 3.567 -2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.677 2.244 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.090 4.527 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.767 3.201 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.968 4.342 0.920 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.210 3.015 -0.603 1.00 0.00 N ATOM 1303 CA ALA A 110 -9.046 3.296 0.567 1.00 0.00 C ATOM 1304 C ALA A 110 -10.090 2.199 0.770 1.00 0.00 C ATOM 1305 O ALA A 110 -10.373 1.425 -0.142 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.732 4.649 0.417 1.00 0.00 C ATOM 0 H ALA A 110 -8.606 2.329 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.400 3.321 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.349 4.843 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.978 5.431 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.360 4.642 -0.474 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.732 7.798 -1.052 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.440 8.151 -2.437 1.00 0.00 C ATOM 1421 C LYS A 119 -1.112 7.538 -2.887 1.00 0.00 C ATOM 1422 O LYS A 119 -0.198 7.351 -2.086 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.396 9.673 -2.591 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.642 10.156 -4.012 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.065 11.546 -4.238 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.081 12.631 -3.918 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.761 13.913 -4.606 1.00 0.00 N ATOM 0 HA LYS A 119 -3.233 7.750 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.143 10.117 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.423 10.034 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.194 9.456 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.713 10.169 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.181 11.679 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.742 11.643 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.075 12.297 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.110 12.795 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.559 14.572 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.909 14.331 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.591 13.732 -5.616 1.00 0.00 H new ATOM 1441 N MET A 120 -1.018 7.217 -4.170 1.00 0.00 N ATOM 1442 CA MET A 120 0.200 6.629 -4.721 1.00 0.00 C ATOM 1443 C MET A 120 0.632 7.354 -5.997 1.00 0.00 C ATOM 1444 O MET A 120 -0.196 7.707 -6.830 1.00 0.00 O ATOM 1445 CB MET A 120 -0.021 5.141 -5.009 1.00 0.00 C ATOM 1446 CG MET A 120 1.196 4.439 -5.588 1.00 0.00 C ATOM 1447 SD MET A 120 0.778 3.339 -6.950 1.00 0.00 S ATOM 1448 CE MET A 120 0.340 1.852 -6.059 1.00 0.00 C ATOM 0 H MET A 120 -1.767 7.352 -4.849 1.00 0.00 H new ATOM 0 HA MET A 120 0.996 6.738 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.311 4.641 -4.085 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.854 5.035 -5.704 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.911 5.185 -5.935 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.689 3.867 -4.802 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.745 0.984 -6.579 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.753 1.897 -5.051 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.745 1.768 -6.003 1.00 0.00 H new ATOM 1458 N ILE A 121 1.931 7.588 -6.140 1.00 0.00 N ATOM 1459 CA ILE A 121 2.456 8.263 -7.324 1.00 0.00 C ATOM 1460 C ILE A 121 3.482 7.384 -8.039 1.00 0.00 C ATOM 1461 O ILE A 121 4.517 7.028 -7.472 1.00 0.00 O ATOM 1462 CB ILE A 121 3.091 9.630 -6.976 1.00 0.00 C ATOM 1463 CG1 ILE A 121 2.037 10.584 -6.407 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.743 10.250 -8.207 1.00 0.00 C ATOM 1465 CD1 ILE A 121 2.035 10.658 -4.898 1.00 0.00 C ATOM 0 H ILE A 121 2.639 7.322 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 121 1.611 8.443 -7.989 1.00 0.00 H new ATOM 0 HB ILE A 121 3.859 9.463 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.208 11.582 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.051 10.267 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.184 11.211 -7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.522 9.585 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.991 10.398 -8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.263 11.353 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.833 9.669 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.008 11.005 -4.549 1.00 0.00 H new ATOM 1477 N VAL A 122 3.183 7.032 -9.284 1.00 0.00 N ATOM 1478 CA VAL A 122 4.073 6.189 -10.076 1.00 0.00 C ATOM 1479 C VAL A 122 4.872 7.017 -11.083 1.00 0.00 C ATOM 1480 O VAL A 122 4.305 7.705 -11.933 1.00 0.00 O ATOM 1481 CB VAL A 122 3.284 5.090 -10.820 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.210 4.239 -11.676 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.523 4.221 -9.833 1.00 0.00 C ATOM 0 H VAL A 122 2.331 7.317 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 122 4.768 5.716 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 122 2.566 5.577 -11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.629 3.473 -12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.708 4.870 -12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.957 3.763 -11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.973 3.452 -10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.226 3.749 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.824 4.838 -9.269 1.00 0.00 H new ATOM 1493 N GLU A 123 6.195 6.941 -10.988 1.00 0.00 N ATOM 1494 CA GLU A 123 7.076 7.686 -11.887 1.00 0.00 C ATOM 1495 C GLU A 123 7.379 6.891 -13.159 1.00 0.00 C ATOM 1496 O GLU A 123 8.176 5.928 -13.081 1.00 0.00 O ATOM 1497 CB GLU A 123 8.382 8.043 -11.171 1.00 0.00 C ATOM 1498 CG GLU A 123 8.617 9.540 -11.040 1.00 0.00 C ATOM 1499 CD GLU A 123 9.996 9.872 -10.499 1.00 0.00 C ATOM 1500 OE1 GLU A 123 10.930 10.026 -11.313 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.138 9.976 -9.263 1.00 0.00 O ATOM 0 H GLU A 123 6.684 6.371 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 123 6.560 8.602 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.375 7.597 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.217 7.599 -11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.491 10.010 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.861 9.966 -10.381 1.00 0.00 H new