USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 90 THR OG1 : rot 180:sc=-0.00818 USER MOD Set 1.2: A 109 MET CE :methyl 154:sc= -1.75 (180deg=-2.62!) USER MOD Set 2.1: A 87 ASN : amide:sc= -0.146 K(o=-2.7,f=0.98) USER MOD Set 2.2: A 89 ASN : amide:sc= -2.54! K(o=-2.7!,f=0.98) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.904 K(o=2.3,f=-0.85) USER MOD Set 3.2: A 41 GLN : amide:sc= 1.07 K(o=2.3,f=-0.27) USER MOD Set 3.3: A 117 SER OG : rot -150:sc= 0.32 USER MOD Single : A 38 ASN : amide:sc= -0.982 K(o=-0.98,f=-9.9!) USER MOD Single : A 42 TYR OH : rot 128:sc= 0.0969 USER MOD Single : A 43 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.62) USER MOD Single : A 50 THR OG1 : rot -28:sc= 0.0893 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.877 K(o=-0.88,f=-0.027) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= 0.394 (180deg=-0.449) USER MOD Single : A 61 ASN : amide:sc= -1.84 K(o=-1.8,f=-6.5!) USER MOD Single : A 64 LYS NZ :NH3+ -103:sc= 0.456 (180deg=0.00165) USER MOD Single : A 69 CYS SG : rot 140:sc= -0.388 USER MOD Single : A 70 THR OG1 : rot 84:sc= 0.398 USER MOD Single : A 72 SER OG : rot 111:sc= -0.166 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0892 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 147:sc= 0.2 (180deg=-0.635) USER MOD Single : A 85 SER OG : rot 74:sc= 1.28 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -17:sc= 0.203 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.976 K(o=-0.98,f=-0.11) USER MOD Single : A 100 MET CE :methyl 142:sc= -0.148 (180deg=-0.668) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 103 THR OG1 : rot 75:sc= 0.395 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -109:sc= 0.0169 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -4.61! K(o=-4.6!,f=-2) USER MOD Single : A 110 LYS NZ :NH3+ -127:sc= -0.269 (180deg=-1.58!) USER MOD Single : A 111 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0142) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -5.987 -3.630 12.153 1.00 1.27 N ATOM 31 CA PHE A 28 -5.482 -2.749 11.109 1.00 1.21 C ATOM 32 C PHE A 28 -4.987 -3.578 9.935 1.00 0.94 C ATOM 33 O PHE A 28 -4.761 -4.777 10.081 1.00 0.94 O ATOM 34 CB PHE A 28 -4.352 -1.856 11.646 1.00 1.52 C ATOM 35 CG PHE A 28 -3.119 -2.607 12.079 1.00 1.96 C ATOM 36 CD1 PHE A 28 -2.022 -2.705 11.236 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.056 -3.213 13.325 1.00 2.12 C ATOM 38 CE1 PHE A 28 -0.888 -3.392 11.627 1.00 3.75 C ATOM 39 CE2 PHE A 28 -1.924 -3.900 13.721 1.00 2.99 C ATOM 40 CZ PHE A 28 -0.839 -3.990 12.871 1.00 3.85 C ATOM 0 HA PHE A 28 -6.293 -2.102 10.775 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -4.074 -1.139 10.874 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -4.730 -1.282 12.492 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -2.054 -2.239 10.262 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -3.902 -3.147 13.994 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -0.041 -3.461 10.960 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -1.888 -4.366 14.695 1.00 2.99 H new ATOM 0 HZ PHE A 28 0.046 -4.527 13.179 1.00 3.85 H new ATOM 50 N GLY A 29 -4.794 -2.944 8.788 1.00 0.85 N ATOM 51 CA GLY A 29 -4.373 -3.675 7.613 1.00 0.73 C ATOM 52 C GLY A 29 -2.908 -3.471 7.305 1.00 0.63 C ATOM 53 O GLY A 29 -2.453 -2.344 7.094 1.00 0.69 O ATOM 0 H GLY A 29 -4.921 -1.941 8.651 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.566 -4.738 7.760 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.969 -3.358 6.758 1.00 0.73 H new ATOM 57 N ALA A 30 -2.169 -4.567 7.306 1.00 0.66 N ATOM 58 CA ALA A 30 -0.754 -4.546 6.986 1.00 0.59 C ATOM 59 C ALA A 30 -0.486 -5.457 5.804 1.00 0.56 C ATOM 60 O ALA A 30 -0.870 -6.624 5.822 1.00 0.65 O ATOM 61 CB ALA A 30 0.067 -4.987 8.186 1.00 0.71 C ATOM 0 H ALA A 30 -2.533 -5.494 7.528 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.464 -3.528 6.727 1.00 0.59 H new ATOM 0 HB1 ALA A 30 1.126 -4.966 7.930 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.118 -4.312 9.021 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.218 -6.000 8.469 1.00 0.71 H new ATOM 67 N ILE A 31 0.144 -4.927 4.773 1.00 0.49 N ATOM 68 CA ILE A 31 0.423 -5.705 3.583 1.00 0.53 C ATOM 69 C ILE A 31 1.864 -5.554 3.130 1.00 0.43 C ATOM 70 O ILE A 31 2.581 -4.666 3.584 1.00 0.49 O ATOM 71 CB ILE A 31 -0.382 -5.387 2.586 1.00 0.62 C ATOM 72 CG1 ILE A 31 -0.588 -3.875 2.481 1.00 0.82 C ATOM 73 CG2 ILE A 31 -1.716 -6.102 2.748 1.00 1.08 C ATOM 74 CD1 ILE A 31 -1.475 -3.456 1.325 1.00 0.96 C ATOM 0 H ILE A 31 0.472 -3.962 4.736 1.00 0.49 H new ATOM 0 HA ILE A 31 0.249 -6.745 3.858 1.00 0.53 H new ATOM 0 HB ILE A 31 0.088 -5.712 1.658 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -1.024 -3.512 3.411 1.00 0.82 H new ATOM 0 HG13 ILE A 31 0.383 -3.392 2.375 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -2.375 -5.835 1.922 1.00 1.08 H new ATOM 0 HG22 ILE A 31 -1.553 -7.180 2.748 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -2.176 -5.804 3.690 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -1.573 -2.370 1.317 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.030 -3.787 0.387 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.460 -3.909 1.439 1.00 0.96 H new ATOM 86 N GLN A 32 2.290 -6.447 2.250 1.00 0.39 N ATOM 87 CA GLN A 32 3.660 -6.445 1.769 1.00 0.34 C ATOM 88 C GLN A 32 3.702 -6.133 0.279 1.00 0.33 C ATOM 89 O GLN A 32 3.103 -6.848 -0.528 1.00 0.36 O ATOM 90 CB GLN A 32 4.316 -7.803 2.037 1.00 0.37 C ATOM 91 CG GLN A 32 5.798 -7.847 1.694 1.00 0.53 C ATOM 92 CD GLN A 32 6.395 -9.230 1.874 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.931 -10.017 2.699 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.428 -9.537 1.104 1.00 0.86 N ATOM 0 H GLN A 32 1.705 -7.183 1.855 1.00 0.39 H new ATOM 0 HA GLN A 32 4.212 -5.672 2.303 1.00 0.34 H new ATOM 0 HB2 GLN A 32 4.188 -8.056 3.089 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.796 -8.568 1.460 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.938 -7.526 0.662 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.335 -7.138 2.324 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.783 -8.857 0.432 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.868 -10.454 1.183 1.00 0.86 H new ATOM 103 N LEU A 33 4.401 -5.065 -0.077 1.00 0.38 N ATOM 104 CA LEU A 33 4.608 -4.719 -1.478 1.00 0.41 C ATOM 105 C LEU A 33 6.080 -4.430 -1.718 1.00 0.33 C ATOM 106 O LEU A 33 6.758 -3.917 -0.840 1.00 0.36 O ATOM 107 CB LEU A 33 3.753 -3.519 -1.931 1.00 0.56 C ATOM 108 CG LEU A 33 4.201 -2.117 -1.478 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.286 -1.060 -2.076 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.220 -1.988 0.040 1.00 1.62 C ATOM 0 H LEU A 33 4.835 -4.422 0.585 1.00 0.38 H new ATOM 0 HA LEU A 33 4.289 -5.575 -2.074 1.00 0.41 H new ATOM 0 HB2 LEU A 33 3.715 -3.525 -3.020 1.00 0.56 H new ATOM 0 HB3 LEU A 33 2.735 -3.678 -1.576 1.00 0.56 H new ATOM 0 HG LEU A 33 5.220 -1.966 -1.835 1.00 0.91 H new ATOM 0 HD11 LEU A 33 3.610 -0.072 -1.750 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.328 -1.116 -3.164 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.263 -1.234 -1.743 1.00 1.24 H new ATOM 0 HD21 LEU A 33 4.542 -0.984 0.316 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.220 -2.169 0.433 1.00 1.62 H new ATOM 0 HD23 LEU A 33 4.912 -2.718 0.459 1.00 1.62 H new ATOM 122 N ASP A 34 6.575 -4.752 -2.896 1.00 0.33 N ATOM 123 CA ASP A 34 7.993 -4.584 -3.189 1.00 0.34 C ATOM 124 C ASP A 34 8.207 -3.348 -4.054 1.00 0.40 C ATOM 125 O ASP A 34 7.241 -2.738 -4.504 1.00 0.43 O ATOM 126 CB ASP A 34 8.574 -5.836 -3.854 1.00 0.38 C ATOM 127 CG ASP A 34 8.688 -5.721 -5.363 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.653 -5.746 -6.052 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.828 -5.609 -5.862 1.00 1.22 O ATOM 0 H ASP A 34 6.023 -5.130 -3.666 1.00 0.33 H new ATOM 0 HA ASP A 34 8.525 -4.442 -2.248 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.561 -6.035 -3.437 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.946 -6.693 -3.609 1.00 0.38 H new ATOM 134 N GLY A 35 9.470 -2.954 -4.229 1.00 0.47 N ATOM 135 CA GLY A 35 9.806 -1.728 -4.948 1.00 0.57 C ATOM 136 C GLY A 35 9.171 -1.616 -6.325 1.00 0.64 C ATOM 137 O GLY A 35 9.011 -0.512 -6.846 1.00 0.79 O ATOM 0 H GLY A 35 10.278 -3.470 -3.880 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.497 -0.872 -4.348 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.889 -1.668 -5.054 1.00 0.57 H new ATOM 141 N ASP A 36 8.813 -2.749 -6.916 1.00 0.58 N ATOM 142 CA ASP A 36 8.161 -2.762 -8.220 1.00 0.66 C ATOM 143 C ASP A 36 6.717 -2.286 -8.100 1.00 0.61 C ATOM 144 O ASP A 36 6.118 -1.825 -9.069 1.00 0.78 O ATOM 145 CB ASP A 36 8.198 -4.176 -8.809 1.00 0.69 C ATOM 146 CG ASP A 36 7.601 -4.257 -10.198 1.00 1.21 C ATOM 147 OD1 ASP A 36 6.410 -4.600 -10.317 1.00 1.95 O ATOM 148 OD2 ASP A 36 8.309 -3.938 -11.177 1.00 1.56 O ATOM 0 H ASP A 36 8.964 -3.673 -6.512 1.00 0.58 H new ATOM 0 HA ASP A 36 8.697 -2.084 -8.884 1.00 0.66 H new ATOM 0 HB2 ASP A 36 9.231 -4.522 -8.843 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.657 -4.853 -8.148 1.00 0.69 H new ATOM 153 N GLY A 37 6.170 -2.376 -6.894 1.00 0.51 N ATOM 154 CA GLY A 37 4.771 -2.095 -6.695 1.00 0.53 C ATOM 155 C GLY A 37 3.980 -3.372 -6.706 1.00 0.47 C ATOM 156 O GLY A 37 2.753 -3.367 -6.634 1.00 0.53 O ATOM 0 H GLY A 37 6.678 -2.640 -6.050 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.628 -1.578 -5.746 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.411 -1.429 -7.479 1.00 0.53 H new ATOM 160 N ASN A 38 4.709 -4.473 -6.788 1.00 0.40 N ATOM 161 CA ASN A 38 4.122 -5.794 -6.860 1.00 0.39 C ATOM 162 C ASN A 38 3.694 -6.240 -5.474 1.00 0.34 C ATOM 163 O ASN A 38 4.436 -6.082 -4.502 1.00 0.40 O ATOM 164 CB ASN A 38 5.140 -6.775 -7.440 1.00 0.44 C ATOM 165 CG ASN A 38 4.528 -8.070 -7.939 1.00 0.70 C ATOM 166 OD1 ASN A 38 3.511 -8.539 -7.439 1.00 1.30 O ATOM 167 ND2 ASN A 38 5.155 -8.656 -8.944 1.00 1.24 N ATOM 0 H ASN A 38 5.729 -4.472 -6.806 1.00 0.40 H new ATOM 0 HA ASN A 38 3.246 -5.768 -7.508 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.667 -6.293 -8.263 1.00 0.44 H new ATOM 0 HB3 ASN A 38 5.883 -7.006 -6.677 1.00 0.44 H new ATOM 0 HD21 ASN A 38 4.795 -9.529 -9.330 1.00 1.24 H new ATOM 0 HD22 ASN A 38 5.999 -8.235 -9.334 1.00 1.24 H new ATOM 174 N ILE A 39 2.493 -6.773 -5.386 1.00 0.32 N ATOM 175 CA ILE A 39 1.957 -7.221 -4.117 1.00 0.32 C ATOM 176 C ILE A 39 2.258 -8.700 -3.913 1.00 0.36 C ATOM 177 O ILE A 39 2.244 -9.487 -4.861 1.00 0.41 O ATOM 178 CB ILE A 39 0.654 -7.031 -4.040 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.269 -5.634 -4.521 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.172 -7.246 -2.608 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.224 -5.388 -4.522 1.00 0.89 C ATOM 0 H ILE A 39 1.868 -6.907 -6.181 1.00 0.32 H new ATOM 0 HA ILE A 39 2.437 -6.630 -3.337 1.00 0.32 H new ATOM 0 HB ILE A 39 0.170 -7.758 -4.692 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.751 -4.893 -3.884 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.655 -5.486 -5.530 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.905 -7.086 -2.559 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.402 -8.265 -2.296 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.674 -6.541 -1.945 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.426 -4.377 -4.875 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.711 -6.106 -5.182 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.612 -5.504 -3.510 1.00 0.89 H new ATOM 193 N LEU A 40 2.602 -9.062 -2.688 1.00 0.40 N ATOM 194 CA LEU A 40 2.924 -10.437 -2.373 1.00 0.49 C ATOM 195 C LEU A 40 1.819 -11.087 -1.563 1.00 0.56 C ATOM 196 O LEU A 40 1.143 -12.001 -2.029 1.00 0.73 O ATOM 197 CB LEU A 40 4.233 -10.498 -1.595 1.00 0.55 C ATOM 198 CG LEU A 40 5.441 -9.867 -2.299 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.412 -10.168 -3.791 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.504 -8.367 -2.052 1.00 1.45 C ATOM 0 H LEU A 40 2.664 -8.420 -1.898 1.00 0.40 H new ATOM 0 HA LEU A 40 3.029 -10.983 -3.311 1.00 0.49 H new ATOM 0 HB2 LEU A 40 4.091 -10.000 -0.636 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.462 -11.542 -1.381 1.00 0.55 H new ATOM 0 HG LEU A 40 6.342 -10.311 -1.876 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.277 -9.711 -4.271 1.00 1.39 H new ATOM 0 HD12 LEU A 40 5.439 -11.247 -3.945 1.00 1.39 H new ATOM 0 HD13 LEU A 40 4.499 -9.762 -4.226 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.371 -7.950 -2.564 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.597 -7.897 -2.433 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.589 -8.178 -0.982 1.00 1.45 H new ATOM 212 N GLN A 41 1.631 -10.609 -0.345 1.00 0.59 N ATOM 213 CA GLN A 41 0.652 -11.201 0.540 1.00 0.73 C ATOM 214 C GLN A 41 -0.195 -10.141 1.220 1.00 0.61 C ATOM 215 O GLN A 41 0.301 -9.098 1.648 1.00 0.60 O ATOM 216 CB GLN A 41 1.329 -12.098 1.584 1.00 0.99 C ATOM 217 CG GLN A 41 2.390 -11.403 2.425 1.00 0.88 C ATOM 218 CD GLN A 41 3.042 -12.342 3.422 1.00 1.20 C ATOM 219 OE1 GLN A 41 2.422 -13.299 3.896 1.00 1.99 O ATOM 220 NE2 GLN A 41 4.298 -12.084 3.745 1.00 1.30 N ATOM 0 H GLN A 41 2.141 -9.818 0.049 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.009 -11.818 -0.069 1.00 0.73 H new ATOM 0 HB2 GLN A 41 0.564 -12.501 2.248 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.787 -12.945 1.074 1.00 0.99 H new ATOM 0 HG2 GLN A 41 3.154 -10.986 1.769 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.937 -10.567 2.959 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.777 -11.284 3.332 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.788 -12.685 4.407 1.00 1.30 H new ATOM 229 N TYR A 42 -1.483 -10.418 1.281 1.00 0.68 N ATOM 230 CA TYR A 42 -2.420 -9.601 2.026 1.00 0.69 C ATOM 231 C TYR A 42 -2.761 -10.294 3.330 1.00 0.78 C ATOM 232 O TYR A 42 -3.139 -11.467 3.327 1.00 1.25 O ATOM 233 CB TYR A 42 -3.709 -9.370 1.230 1.00 0.78 C ATOM 234 CG TYR A 42 -3.691 -8.156 0.324 1.00 0.68 C ATOM 235 CD1 TYR A 42 -4.878 -7.648 -0.195 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.506 -7.503 0.003 1.00 0.57 C ATOM 237 CE1 TYR A 42 -4.883 -6.531 -1.002 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.507 -6.384 -0.809 1.00 0.56 C ATOM 239 CZ TYR A 42 -3.697 -5.903 -1.306 1.00 0.63 C ATOM 240 OH TYR A 42 -3.700 -4.789 -2.110 1.00 0.71 O ATOM 0 H TYR A 42 -1.910 -11.218 0.814 1.00 0.68 H new ATOM 0 HA TYR A 42 -1.954 -8.635 2.218 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -3.908 -10.254 0.624 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.538 -9.270 1.930 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.812 -8.138 0.039 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.571 -7.876 0.394 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -5.814 -6.150 -1.394 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.578 -5.890 -1.052 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.212 -4.064 -1.667 1.00 0.71 H new ATOM 250 N ASN A 43 -2.600 -9.585 4.438 1.00 0.89 N ATOM 251 CA ASN A 43 -3.030 -10.094 5.734 1.00 0.95 C ATOM 252 C ASN A 43 -4.527 -10.361 5.718 1.00 1.08 C ATOM 253 O ASN A 43 -5.264 -9.752 4.934 1.00 1.63 O ATOM 254 CB ASN A 43 -2.716 -9.086 6.843 1.00 0.96 C ATOM 255 CG ASN A 43 -1.284 -9.154 7.338 1.00 1.38 C ATOM 256 OD1 ASN A 43 -0.375 -9.562 6.616 1.00 2.13 O ATOM 257 ND2 ASN A 43 -1.073 -8.739 8.579 1.00 1.66 N ATOM 0 H ASN A 43 -2.176 -8.658 4.467 1.00 0.89 H new ATOM 0 HA ASN A 43 -2.491 -11.021 5.930 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.917 -8.080 6.475 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -3.390 -9.260 7.682 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -0.130 -8.751 8.967 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -1.854 -8.408 9.146 1.00 1.66 H new ATOM 264 N ALA A 44 -4.979 -11.254 6.591 1.00 1.12 N ATOM 265 CA ALA A 44 -6.402 -11.532 6.728 1.00 1.23 C ATOM 266 C ALA A 44 -7.153 -10.245 7.043 1.00 1.22 C ATOM 267 O ALA A 44 -8.304 -10.069 6.649 1.00 1.39 O ATOM 268 CB ALA A 44 -6.639 -12.572 7.816 1.00 1.48 C ATOM 0 H ALA A 44 -4.381 -11.797 7.214 1.00 1.12 H new ATOM 0 HA ALA A 44 -6.776 -11.934 5.787 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -7.707 -12.768 7.905 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -6.121 -13.495 7.556 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -6.258 -12.198 8.766 1.00 1.48 H new ATOM 274 N ALA A 45 -6.466 -9.353 7.752 1.00 1.21 N ATOM 275 CA ALA A 45 -6.975 -8.032 8.081 1.00 1.34 C ATOM 276 C ALA A 45 -7.433 -7.256 6.849 1.00 1.26 C ATOM 277 O ALA A 45 -8.507 -6.657 6.856 1.00 1.38 O ATOM 278 CB ALA A 45 -5.894 -7.248 8.800 1.00 1.52 C ATOM 0 H ALA A 45 -5.530 -9.533 8.116 1.00 1.21 H new ATOM 0 HA ALA A 45 -7.847 -8.165 8.721 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -6.269 -6.256 9.050 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -5.613 -7.770 9.714 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -5.022 -7.154 8.153 1.00 1.52 H new ATOM 284 N GLU A 46 -6.627 -7.276 5.794 1.00 1.18 N ATOM 285 CA GLU A 46 -6.898 -6.455 4.619 1.00 1.23 C ATOM 286 C GLU A 46 -8.173 -6.919 3.924 1.00 1.20 C ATOM 287 O GLU A 46 -9.047 -6.118 3.612 1.00 1.42 O ATOM 288 CB GLU A 46 -5.712 -6.492 3.651 1.00 1.27 C ATOM 289 CG GLU A 46 -5.788 -5.439 2.550 1.00 1.10 C ATOM 290 CD GLU A 46 -5.759 -4.017 3.089 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.545 -3.826 4.308 1.00 2.12 O ATOM 292 OE2 GLU A 46 -5.972 -2.885 2.198 1.00 1.31 O ATOM 0 H GLU A 46 -5.785 -7.848 5.727 1.00 1.18 H new ATOM 0 HA GLU A 46 -7.041 -5.425 4.946 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -4.790 -6.350 4.214 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -5.658 -7.480 3.194 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -4.954 -5.579 1.862 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -6.703 -5.586 1.976 1.00 1.10 H new ATOM 300 N GLY A 47 -8.281 -8.221 3.709 1.00 1.08 N ATOM 301 CA GLY A 47 -9.475 -8.778 3.099 1.00 1.18 C ATOM 302 C GLY A 47 -10.671 -8.758 4.037 1.00 1.25 C ATOM 303 O GLY A 47 -11.799 -9.020 3.622 1.00 1.42 O ATOM 0 H GLY A 47 -7.563 -8.905 3.946 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -9.715 -8.215 2.197 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -9.276 -9.804 2.790 1.00 1.18 H new ATOM 307 N ASP A 48 -10.423 -8.449 5.302 1.00 1.26 N ATOM 308 CA ASP A 48 -11.478 -8.416 6.308 1.00 1.49 C ATOM 309 C ASP A 48 -12.052 -7.012 6.447 1.00 1.53 C ATOM 310 O ASP A 48 -13.266 -6.814 6.365 1.00 1.74 O ATOM 311 CB ASP A 48 -10.937 -8.897 7.659 1.00 1.72 C ATOM 312 CG ASP A 48 -11.974 -8.844 8.761 1.00 2.01 C ATOM 313 OD1 ASP A 48 -11.879 -7.951 9.629 1.00 2.28 O ATOM 314 OD2 ASP A 48 -12.901 -9.678 8.749 1.00 2.35 O ATOM 0 H ASP A 48 -9.496 -8.216 5.658 1.00 1.26 H new ATOM 0 HA ASP A 48 -12.277 -9.084 5.985 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -10.575 -9.920 7.556 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -10.082 -8.283 7.942 1.00 1.72 H new ATOM 319 N ILE A 49 -11.178 -6.035 6.648 1.00 1.50 N ATOM 320 CA ILE A 49 -11.614 -4.661 6.844 1.00 1.74 C ATOM 321 C ILE A 49 -11.929 -3.991 5.505 1.00 1.73 C ATOM 322 O ILE A 49 -13.094 -3.739 5.190 1.00 2.08 O ATOM 323 CB ILE A 49 -10.709 -3.948 7.503 1.00 1.98 C ATOM 324 CG1 ILE A 49 -10.305 -4.651 8.797 1.00 2.10 C ATOM 325 CG2 ILE A 49 -11.238 -2.546 7.797 1.00 2.43 C ATOM 326 CD1 ILE A 49 -9.312 -3.873 9.635 1.00 2.59 C ATOM 0 H ILE A 49 -10.167 -6.168 6.679 1.00 1.50 H new ATOM 0 HA ILE A 49 -12.522 -4.697 7.445 1.00 1.74 H new ATOM 0 HB ILE A 49 -9.824 -3.856 6.873 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -11.199 -4.838 9.392 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -9.876 -5.623 8.552 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -10.481 -1.978 8.338 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -11.470 -2.041 6.860 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -12.141 -2.618 8.404 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -9.075 -4.438 10.537 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -8.401 -3.708 9.060 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -9.744 -2.912 9.912 1.00 2.59 H new ATOM 338 N THR A 50 -10.893 -3.686 4.730 1.00 1.71 N ATOM 339 CA THR A 50 -11.049 -3.031 3.435 1.00 1.95 C ATOM 340 C THR A 50 -9.870 -3.386 2.537 1.00 1.90 C ATOM 341 O THR A 50 -8.755 -2.911 2.756 1.00 2.37 O ATOM 342 CB THR A 50 -11.102 -1.708 3.562 1.00 2.44 C ATOM 343 OG1 THR A 50 -12.077 -1.332 4.549 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.453 -1.042 2.239 1.00 2.45 C ATOM 0 H THR A 50 -9.924 -3.885 4.980 1.00 1.71 H new ATOM 0 HA THR A 50 -11.984 -3.379 2.997 1.00 1.95 H new ATOM 0 HB THR A 50 -10.114 -1.372 3.878 1.00 2.44 H new ATOM 0 HG1 THR A 50 -12.775 -2.018 4.598 1.00 3.41 H new ATOM 0 HG21 THR A 50 -11.489 0.039 2.374 1.00 2.45 H new ATOM 0 HG22 THR A 50 -10.696 -1.290 1.495 1.00 2.45 H new ATOM 0 HG23 THR A 50 -12.426 -1.398 1.899 1.00 2.45 H new ATOM 352 N GLY A 51 -10.102 -4.234 1.542 1.00 1.87 N ATOM 353 CA GLY A 51 -9.033 -4.602 0.639 1.00 2.32 C ATOM 354 C GLY A 51 -9.445 -5.657 -0.365 1.00 1.77 C ATOM 355 O GLY A 51 -10.553 -5.615 -0.906 1.00 2.08 O ATOM 0 H GLY A 51 -11.004 -4.669 1.347 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -8.693 -3.714 0.106 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -8.186 -4.970 1.218 1.00 2.32 H new ATOM 359 N ARG A 52 -8.543 -6.596 -0.621 1.00 1.46 N ATOM 360 CA ARG A 52 -8.775 -7.653 -1.601 1.00 1.09 C ATOM 361 C ARG A 52 -8.604 -9.024 -0.968 1.00 1.03 C ATOM 362 O ARG A 52 -8.202 -9.136 0.191 1.00 1.29 O ATOM 363 CB ARG A 52 -7.805 -7.521 -2.779 1.00 1.22 C ATOM 364 CG ARG A 52 -8.334 -6.686 -3.937 1.00 1.55 C ATOM 365 CD ARG A 52 -8.642 -5.258 -3.525 1.00 1.67 C ATOM 366 NE ARG A 52 -9.257 -4.504 -4.611 1.00 1.96 N ATOM 367 CZ ARG A 52 -10.485 -3.994 -4.555 1.00 2.47 C ATOM 368 NH1 ARG A 52 -11.209 -4.117 -3.446 1.00 2.72 N ATOM 369 NH2 ARG A 52 -10.980 -3.355 -5.603 1.00 3.14 N ATOM 0 H ARG A 52 -7.635 -6.648 -0.159 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.798 -7.549 -1.961 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -6.876 -7.077 -2.421 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.561 -8.518 -3.147 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -7.599 -6.679 -4.742 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -9.237 -7.150 -4.334 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.309 -5.264 -2.663 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -7.722 -4.763 -3.213 1.00 1.67 H new ATOM 0 HE ARG A 52 -8.715 -4.359 -5.463 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.823 -4.603 -2.636 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -12.150 -3.725 -3.405 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -10.421 -3.255 -6.450 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -11.921 -2.963 -5.564 1.00 3.14 H new ATOM 383 N ASP A 53 -8.900 -10.057 -1.746 1.00 0.94 N ATOM 384 CA ASP A 53 -8.727 -11.437 -1.308 1.00 1.00 C ATOM 385 C ASP A 53 -7.267 -11.734 -1.001 1.00 0.89 C ATOM 386 O ASP A 53 -6.364 -11.287 -1.720 1.00 0.82 O ATOM 387 CB ASP A 53 -9.216 -12.411 -2.378 1.00 1.18 C ATOM 388 CG ASP A 53 -10.724 -12.569 -2.403 1.00 1.55 C ATOM 389 OD1 ASP A 53 -11.430 -11.586 -2.101 1.00 1.90 O ATOM 390 OD2 ASP A 53 -11.213 -13.674 -2.716 1.00 2.10 O ATOM 0 H ASP A 53 -9.265 -9.964 -2.694 1.00 0.94 H new ATOM 0 HA ASP A 53 -9.318 -11.566 -0.401 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.878 -12.066 -3.355 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.759 -13.386 -2.208 1.00 1.18 H new ATOM 395 N PRO A 54 -7.017 -12.493 0.073 1.00 1.02 N ATOM 396 CA PRO A 54 -5.666 -12.878 0.475 1.00 1.10 C ATOM 397 C PRO A 54 -4.912 -13.606 -0.634 1.00 1.03 C ATOM 398 O PRO A 54 -5.285 -14.710 -1.031 1.00 1.68 O ATOM 399 CB PRO A 54 -5.893 -13.810 1.670 1.00 1.35 C ATOM 400 CG PRO A 54 -7.237 -13.441 2.190 1.00 1.43 C ATOM 401 CD PRO A 54 -8.039 -13.023 0.993 1.00 1.25 C ATOM 0 HA PRO A 54 -5.053 -12.008 0.710 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -5.860 -14.857 1.367 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -5.124 -13.673 2.430 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -7.704 -14.284 2.698 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -7.166 -12.631 2.916 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -8.578 -13.863 0.556 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.781 -12.267 1.249 1.00 1.25 H new ATOM 409 N LYS A 55 -3.881 -12.939 -1.153 1.00 0.89 N ATOM 410 CA LYS A 55 -2.927 -13.527 -2.103 1.00 0.96 C ATOM 411 C LYS A 55 -3.454 -13.528 -3.538 1.00 0.82 C ATOM 412 O LYS A 55 -2.862 -14.150 -4.418 1.00 0.92 O ATOM 413 CB LYS A 55 -2.514 -14.943 -1.685 1.00 1.26 C ATOM 414 CG LYS A 55 -1.850 -15.011 -0.320 1.00 1.53 C ATOM 415 CD LYS A 55 -1.405 -16.424 0.020 1.00 2.06 C ATOM 416 CE LYS A 55 -2.566 -17.406 -0.027 1.00 2.89 C ATOM 417 NZ LYS A 55 -2.136 -18.788 0.306 1.00 3.61 N ATOM 0 H LYS A 55 -3.680 -11.965 -0.926 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.044 -12.888 -2.079 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -3.397 -15.583 -1.681 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -1.830 -15.347 -2.432 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -0.988 -14.344 -0.301 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -2.545 -14.656 0.441 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -0.632 -16.741 -0.680 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -0.958 -16.436 1.014 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -3.339 -17.088 0.672 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -3.012 -17.394 -1.022 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -2.956 -19.427 0.263 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -1.417 -19.102 -0.376 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -1.734 -18.805 1.265 1.00 3.61 H new ATOM 431 N GLN A 56 -4.550 -12.821 -3.786 1.00 0.72 N ATOM 432 CA GLN A 56 -5.026 -12.627 -5.153 1.00 0.73 C ATOM 433 C GLN A 56 -4.495 -11.313 -5.715 1.00 0.63 C ATOM 434 O GLN A 56 -5.046 -10.753 -6.665 1.00 0.79 O ATOM 435 CB GLN A 56 -6.555 -12.659 -5.219 1.00 0.87 C ATOM 436 CG GLN A 56 -7.124 -14.068 -5.156 1.00 1.32 C ATOM 437 CD GLN A 56 -8.638 -14.126 -5.264 1.00 1.92 C ATOM 438 OE1 GLN A 56 -9.267 -15.029 -4.711 1.00 2.50 O ATOM 439 NE2 GLN A 56 -9.238 -13.189 -5.981 1.00 2.41 N ATOM 0 H GLN A 56 -5.122 -12.376 -3.068 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.649 -13.449 -5.762 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.961 -12.072 -4.395 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.883 -12.182 -6.142 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -6.689 -14.661 -5.961 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -6.819 -14.531 -4.218 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -8.686 -12.455 -6.426 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -10.252 -13.201 -6.089 1.00 2.41 H new ATOM 448 N VAL A 57 -3.405 -10.844 -5.122 1.00 0.52 N ATOM 449 CA VAL A 57 -2.756 -9.605 -5.531 1.00 0.48 C ATOM 450 C VAL A 57 -1.325 -9.854 -5.978 1.00 0.55 C ATOM 451 O VAL A 57 -0.495 -8.953 -5.969 1.00 0.97 O ATOM 452 CB VAL A 57 -2.738 -8.712 -4.553 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.052 -7.943 -4.511 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.468 -9.372 -3.205 1.00 0.58 C ATOM 0 H VAL A 57 -2.945 -11.313 -4.342 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.341 -9.215 -6.363 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.926 -8.013 -4.754 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.021 -7.213 -3.702 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.202 -7.427 -5.459 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.875 -8.638 -4.342 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.460 -8.612 -2.423 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.250 -10.101 -2.994 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.501 -9.875 -3.233 1.00 0.58 H new ATOM 464 N ILE A 58 -1.036 -11.081 -6.364 1.00 0.51 N ATOM 465 CA ILE A 58 0.327 -11.454 -6.689 1.00 0.57 C ATOM 466 C ILE A 58 0.602 -11.177 -8.155 1.00 0.57 C ATOM 467 O ILE A 58 -0.262 -11.397 -9.008 1.00 0.66 O ATOM 468 CB ILE A 58 0.581 -12.729 -6.401 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.224 -13.038 -4.944 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.047 -13.068 -6.669 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.479 -14.477 -4.547 1.00 1.01 C ATOM 0 H ILE A 58 -1.720 -11.831 -6.460 1.00 0.51 H new ATOM 0 HA ILE A 58 0.992 -10.848 -6.073 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.039 -13.348 -7.049 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.800 -12.383 -4.291 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.828 -12.806 -4.780 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.229 -14.115 -6.426 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.274 -12.895 -7.721 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.685 -12.436 -6.051 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.203 -14.621 -3.502 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -0.118 -15.139 -5.174 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.536 -14.709 -4.678 1.00 1.01 H new ATOM 483 N GLY A 59 1.769 -10.609 -8.432 1.00 0.59 N ATOM 484 CA GLY A 59 2.095 -10.223 -9.782 1.00 0.66 C ATOM 485 C GLY A 59 1.361 -8.965 -10.172 1.00 0.56 C ATOM 486 O GLY A 59 1.329 -8.587 -11.340 1.00 0.65 O ATOM 0 H GLY A 59 2.493 -10.411 -7.742 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.170 -10.064 -9.870 1.00 0.66 H new ATOM 0 HA3 GLY A 59 1.835 -11.029 -10.468 1.00 0.66 H new ATOM 490 N LYS A 60 0.771 -8.312 -9.185 1.00 0.48 N ATOM 491 CA LYS A 60 -0.078 -7.174 -9.441 1.00 0.45 C ATOM 492 C LYS A 60 0.471 -5.923 -8.780 1.00 0.38 C ATOM 493 O LYS A 60 1.008 -5.981 -7.677 1.00 0.43 O ATOM 494 CB LYS A 60 -1.497 -7.477 -8.963 1.00 0.49 C ATOM 495 CG LYS A 60 -2.350 -8.121 -10.042 1.00 0.80 C ATOM 496 CD LYS A 60 -3.830 -7.861 -9.821 1.00 1.12 C ATOM 497 CE LYS A 60 -4.652 -8.293 -11.026 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.201 -7.632 -12.287 1.00 1.82 N ATOM 0 H LYS A 60 0.868 -8.555 -8.199 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.103 -6.985 -10.514 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.452 -8.138 -8.098 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.971 -6.552 -8.633 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.055 -7.735 -11.018 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.168 -9.196 -10.056 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -4.168 -8.399 -8.935 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.991 -6.800 -9.630 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.583 -9.375 -11.141 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.702 -8.057 -10.850 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.014 -7.509 -12.924 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -3.792 -6.702 -12.064 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -3.483 -8.224 -12.751 1.00 1.82 H new ATOM 512 N ASN A 61 0.354 -4.798 -9.471 1.00 0.43 N ATOM 513 CA ASN A 61 0.873 -3.538 -8.968 1.00 0.42 C ATOM 514 C ASN A 61 -0.174 -2.845 -8.101 1.00 0.39 C ATOM 515 O ASN A 61 -1.230 -2.453 -8.589 1.00 0.42 O ATOM 516 CB ASN A 61 1.283 -2.633 -10.136 1.00 0.52 C ATOM 517 CG ASN A 61 1.976 -1.364 -9.681 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.329 -0.367 -9.380 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.298 -1.374 -9.672 1.00 0.71 N ATOM 0 H ASN A 61 -0.097 -4.734 -10.384 1.00 0.43 H new ATOM 0 HA ASN A 61 1.753 -3.739 -8.356 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.946 -3.185 -10.802 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.397 -2.370 -10.714 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.813 -0.534 -9.409 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.803 -2.222 -9.928 1.00 0.71 H new ATOM 526 N PHE A 62 0.124 -2.708 -6.815 1.00 0.38 N ATOM 527 CA PHE A 62 -0.790 -2.079 -5.859 1.00 0.40 C ATOM 528 C PHE A 62 -1.184 -0.673 -6.299 1.00 0.47 C ATOM 529 O PHE A 62 -2.320 -0.247 -6.110 1.00 0.70 O ATOM 530 CB PHE A 62 -0.137 -2.024 -4.471 1.00 0.43 C ATOM 531 CG PHE A 62 -0.987 -1.363 -3.420 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.725 -0.067 -3.009 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.052 -2.041 -2.846 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.508 0.541 -2.045 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.838 -1.439 -1.883 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.549 -0.135 -1.474 1.00 0.53 C ATOM 0 H PHE A 62 1.001 -3.027 -6.403 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.696 -2.684 -5.817 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.095 -3.039 -4.150 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.810 -1.489 -4.547 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.100 0.475 -3.446 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.269 -3.052 -3.156 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.296 1.556 -1.742 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.671 -1.973 -1.449 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.147 0.338 -0.709 1.00 0.53 H new ATOM 546 N PHE A 63 -0.249 0.028 -6.917 1.00 0.46 N ATOM 547 CA PHE A 63 -0.448 1.422 -7.278 1.00 0.55 C ATOM 548 C PHE A 63 -1.344 1.559 -8.506 1.00 0.66 C ATOM 549 O PHE A 63 -1.745 2.664 -8.868 1.00 0.91 O ATOM 550 CB PHE A 63 0.900 2.088 -7.555 1.00 0.57 C ATOM 551 CG PHE A 63 1.883 1.983 -6.424 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.727 0.891 -6.319 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.955 2.975 -5.457 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.623 0.791 -5.274 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.851 2.878 -4.413 1.00 1.04 C ATOM 556 CZ PHE A 63 3.712 1.795 -4.343 1.00 1.16 C ATOM 0 H PHE A 63 0.662 -0.348 -7.181 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.939 1.915 -6.439 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.339 1.638 -8.446 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.733 3.141 -7.779 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.684 0.109 -7.063 1.00 0.82 H new ATOM 0 HD2 PHE A 63 1.302 3.833 -5.522 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.256 -0.080 -5.189 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.881 3.644 -3.652 1.00 1.04 H new ATOM 0 HZ PHE A 63 4.451 1.741 -3.558 1.00 1.16 H new ATOM 566 N LYS A 64 -1.662 0.441 -9.143 1.00 0.57 N ATOM 567 CA LYS A 64 -2.424 0.469 -10.380 1.00 0.72 C ATOM 568 C LYS A 64 -3.514 -0.600 -10.400 1.00 0.72 C ATOM 569 O LYS A 64 -4.704 -0.284 -10.419 1.00 0.90 O ATOM 570 CB LYS A 64 -1.485 0.301 -11.572 1.00 0.82 C ATOM 571 CG LYS A 64 -0.631 1.530 -11.838 1.00 1.56 C ATOM 572 CD LYS A 64 0.253 1.335 -13.053 1.00 2.11 C ATOM 573 CE LYS A 64 1.493 0.521 -12.723 1.00 2.85 C ATOM 574 NZ LYS A 64 2.503 1.328 -11.982 1.00 3.58 N ATOM 0 H LYS A 64 -1.405 -0.493 -8.824 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.921 1.437 -10.447 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.834 -0.555 -11.396 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -2.074 0.076 -12.461 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -1.275 2.397 -11.989 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -0.012 1.741 -10.966 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -0.313 0.833 -13.838 1.00 2.11 H new ATOM 0 HD3 LYS A 64 0.550 2.307 -13.446 1.00 2.11 H new ATOM 0 HE2 LYS A 64 1.211 -0.346 -12.125 1.00 2.85 H new ATOM 0 HE3 LYS A 64 1.935 0.142 -13.644 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 3.267 1.607 -12.630 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 2.050 2.180 -11.594 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 2.898 0.761 -11.205 1.00 3.58 H new ATOM 588 N ASP A 65 -3.104 -1.864 -10.360 1.00 0.60 N ATOM 589 CA ASP A 65 -4.031 -2.985 -10.516 1.00 0.69 C ATOM 590 C ASP A 65 -5.004 -3.094 -9.355 1.00 0.74 C ATOM 591 O ASP A 65 -6.092 -3.650 -9.503 1.00 1.10 O ATOM 592 CB ASP A 65 -3.269 -4.309 -10.590 1.00 0.79 C ATOM 593 CG ASP A 65 -2.422 -4.456 -11.828 1.00 1.38 C ATOM 594 OD1 ASP A 65 -2.889 -5.102 -12.792 1.00 1.50 O ATOM 595 OD2 ASP A 65 -1.278 -3.968 -11.827 1.00 2.20 O ATOM 0 H ASP A 65 -2.132 -2.141 -10.220 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.581 -2.793 -11.437 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.630 -4.399 -9.711 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.983 -5.131 -10.550 1.00 0.79 H new ATOM 600 N VAL A 66 -4.627 -2.566 -8.198 1.00 0.70 N ATOM 601 CA VAL A 66 -5.444 -2.745 -7.008 1.00 0.82 C ATOM 602 C VAL A 66 -5.781 -1.398 -6.368 1.00 0.70 C ATOM 603 O VAL A 66 -6.308 -1.347 -5.257 1.00 0.80 O ATOM 604 CB VAL A 66 -4.828 -3.515 -6.102 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.835 -4.159 -5.158 1.00 1.45 C ATOM 606 CG2 VAL A 66 -3.957 -4.587 -6.745 1.00 1.77 C ATOM 0 H VAL A 66 -3.777 -2.020 -8.060 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.363 -3.237 -7.326 1.00 0.82 H new ATOM 0 HB VAL A 66 -4.173 -2.857 -5.531 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.309 -4.779 -4.432 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.392 -3.382 -4.635 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -6.526 -4.778 -5.730 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -3.480 -5.183 -5.967 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -4.575 -5.232 -7.369 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -3.191 -4.113 -7.359 1.00 1.77 H new ATOM 616 N ALA A 67 -5.523 -0.312 -7.100 1.00 0.56 N ATOM 617 CA ALA A 67 -5.755 1.041 -6.585 1.00 0.53 C ATOM 618 C ALA A 67 -5.180 2.101 -7.522 1.00 0.49 C ATOM 619 O ALA A 67 -4.050 2.540 -7.339 1.00 0.61 O ATOM 620 CB ALA A 67 -5.137 1.211 -5.200 1.00 0.60 C ATOM 0 H ALA A 67 -5.154 -0.342 -8.050 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.835 1.176 -6.519 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.323 2.223 -4.840 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.584 0.493 -4.512 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -4.062 1.038 -5.257 1.00 0.60 H new ATOM 626 N PRO A 68 -5.940 2.521 -8.544 1.00 0.44 N ATOM 627 CA PRO A 68 -5.496 3.557 -9.487 1.00 0.47 C ATOM 628 C PRO A 68 -5.257 4.923 -8.836 1.00 0.55 C ATOM 629 O PRO A 68 -4.629 5.790 -9.443 1.00 0.81 O ATOM 630 CB PRO A 68 -6.635 3.636 -10.508 1.00 0.56 C ATOM 631 CG PRO A 68 -7.816 3.039 -9.822 1.00 0.69 C ATOM 632 CD PRO A 68 -7.270 1.995 -8.890 1.00 0.47 C ATOM 0 HA PRO A 68 -4.530 3.298 -9.921 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.830 4.667 -10.802 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -6.388 3.087 -11.417 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.374 3.798 -9.274 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -8.504 2.597 -10.543 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.898 1.874 -8.007 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.205 1.019 -9.371 1.00 0.47 H new ATOM 640 N CYS A 69 -5.777 5.133 -7.621 1.00 0.51 N ATOM 641 CA CYS A 69 -5.436 6.336 -6.843 1.00 0.61 C ATOM 642 C CYS A 69 -3.923 6.530 -6.775 1.00 0.59 C ATOM 643 O CYS A 69 -3.415 7.595 -7.132 1.00 0.81 O ATOM 644 CB CYS A 69 -5.980 6.266 -5.408 1.00 0.85 C ATOM 645 SG CYS A 69 -7.783 6.047 -5.263 1.00 0.81 S ATOM 0 H CYS A 69 -6.427 4.497 -7.158 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.900 7.177 -7.358 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -5.489 5.441 -4.892 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -5.700 7.181 -4.887 1.00 0.85 H new ATOM 0 HG CYS A 69 -8.043 5.218 -4.296 1.00 0.81 H new ATOM 650 N THR A 70 -3.226 5.420 -6.670 1.00 0.61 N ATOM 651 CA THR A 70 -2.123 5.306 -5.746 1.00 0.58 C ATOM 652 C THR A 70 -0.819 5.666 -6.448 1.00 0.55 C ATOM 653 O THR A 70 0.091 6.258 -5.861 1.00 0.64 O ATOM 654 CB THR A 70 -2.072 4.067 -5.307 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.389 3.656 -4.928 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.147 3.921 -4.121 1.00 1.07 C ATOM 0 H THR A 70 -3.407 4.579 -7.218 1.00 0.61 H new ATOM 0 HA THR A 70 -2.265 5.990 -4.909 1.00 0.58 H new ATOM 0 HB THR A 70 -1.683 3.441 -6.110 1.00 0.63 H new ATOM 0 HG1 THR A 70 -3.875 3.345 -5.720 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.137 2.882 -3.793 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.139 4.221 -4.407 1.00 1.07 H new ATOM 0 HG23 THR A 70 -1.497 4.555 -3.306 1.00 1.07 H new ATOM 664 N ASP A 71 -0.782 5.380 -7.743 1.00 0.55 N ATOM 665 CA ASP A 71 0.413 5.599 -8.551 1.00 0.63 C ATOM 666 C ASP A 71 0.553 7.079 -8.892 1.00 0.70 C ATOM 667 O ASP A 71 -0.068 7.573 -9.836 1.00 0.88 O ATOM 668 CB ASP A 71 0.327 4.742 -9.815 1.00 0.76 C ATOM 669 CG ASP A 71 1.580 4.775 -10.663 1.00 0.96 C ATOM 670 OD1 ASP A 71 2.422 3.862 -10.518 1.00 1.85 O ATOM 671 OD2 ASP A 71 1.715 5.691 -11.503 1.00 1.34 O ATOM 0 H ASP A 71 -1.571 4.993 -8.260 1.00 0.55 H new ATOM 0 HA ASP A 71 1.300 5.305 -7.989 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.120 3.711 -9.530 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.516 5.082 -10.416 1.00 0.76 H new ATOM 676 N SER A 72 1.369 7.785 -8.110 1.00 0.66 N ATOM 677 CA SER A 72 1.427 9.247 -8.167 1.00 0.77 C ATOM 678 C SER A 72 2.691 9.747 -7.474 1.00 0.76 C ATOM 679 O SER A 72 3.196 9.094 -6.569 1.00 0.71 O ATOM 680 CB SER A 72 0.195 9.859 -7.475 1.00 0.88 C ATOM 681 OG SER A 72 -1.020 9.470 -8.102 1.00 1.56 O ATOM 0 H SER A 72 2.001 7.367 -7.427 1.00 0.66 H new ATOM 0 HA SER A 72 1.439 9.551 -9.214 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.177 9.552 -6.429 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.276 10.946 -7.486 1.00 0.88 H new ATOM 0 HG SER A 72 -1.521 8.877 -7.504 1.00 1.56 H new ATOM 687 N PRO A 73 3.223 10.909 -7.874 1.00 0.90 N ATOM 688 CA PRO A 73 4.418 11.485 -7.240 1.00 0.99 C ATOM 689 C PRO A 73 4.228 11.736 -5.741 1.00 0.96 C ATOM 690 O PRO A 73 5.173 11.643 -4.960 1.00 1.05 O ATOM 691 CB PRO A 73 4.619 12.807 -7.983 1.00 1.13 C ATOM 692 CG PRO A 73 3.904 12.634 -9.279 1.00 1.17 C ATOM 693 CD PRO A 73 2.731 11.744 -8.984 1.00 1.05 C ATOM 0 HA PRO A 73 5.272 10.811 -7.305 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.212 13.644 -7.416 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.677 13.014 -8.141 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.576 13.595 -9.676 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.556 12.186 -10.029 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.850 12.318 -8.698 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.452 11.143 -9.849 1.00 1.05 H new ATOM 701 N GLU A 74 2.993 12.020 -5.341 1.00 0.91 N ATOM 702 CA GLU A 74 2.689 12.329 -3.946 1.00 0.96 C ATOM 703 C GLU A 74 2.427 11.070 -3.117 1.00 0.93 C ATOM 704 O GLU A 74 2.037 11.157 -1.953 1.00 1.25 O ATOM 705 CB GLU A 74 1.493 13.275 -3.871 1.00 1.07 C ATOM 706 CG GLU A 74 0.272 12.784 -4.626 1.00 0.90 C ATOM 707 CD GLU A 74 -0.795 13.849 -4.731 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.901 13.653 -4.186 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.526 14.896 -5.355 1.00 1.58 O ATOM 0 H GLU A 74 2.185 12.043 -5.963 1.00 0.91 H new ATOM 0 HA GLU A 74 3.565 12.816 -3.519 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.225 13.424 -2.825 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.786 14.247 -4.267 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.567 12.467 -5.626 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.138 11.909 -4.122 1.00 0.90 H new ATOM 716 N PHE A 75 2.634 9.904 -3.715 1.00 0.80 N ATOM 717 CA PHE A 75 2.554 8.647 -2.979 1.00 0.79 C ATOM 718 C PHE A 75 3.634 7.694 -3.465 1.00 0.66 C ATOM 719 O PHE A 75 4.605 7.437 -2.764 1.00 0.66 O ATOM 720 CB PHE A 75 1.180 7.987 -3.129 1.00 0.87 C ATOM 721 CG PHE A 75 1.032 6.759 -2.276 1.00 1.53 C ATOM 722 CD1 PHE A 75 1.395 5.509 -2.755 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.550 6.859 -0.984 1.00 1.74 C ATOM 724 CE1 PHE A 75 1.276 4.387 -1.957 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.426 5.741 -0.185 1.00 2.61 C ATOM 726 CZ PHE A 75 0.790 4.503 -0.672 1.00 3.36 C ATOM 0 H PHE A 75 2.858 9.801 -4.705 1.00 0.80 H new ATOM 0 HA PHE A 75 2.705 8.872 -1.923 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.405 8.706 -2.862 1.00 0.87 H new ATOM 0 HB3 PHE A 75 1.021 7.720 -4.174 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.774 5.412 -3.761 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.267 7.826 -0.595 1.00 1.74 H new ATOM 0 HE1 PHE A 75 1.564 3.419 -2.340 1.00 3.20 H new ATOM 0 HE2 PHE A 75 0.044 5.835 0.821 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.695 3.627 -0.048 1.00 3.36 H new ATOM 736 N TYR A 76 3.446 7.182 -4.674 1.00 0.59 N ATOM 737 CA TYR A 76 4.426 6.325 -5.332 1.00 0.50 C ATOM 738 C TYR A 76 5.797 7.005 -5.375 1.00 0.47 C ATOM 739 O TYR A 76 6.827 6.359 -5.202 1.00 0.49 O ATOM 740 CB TYR A 76 3.937 5.999 -6.749 1.00 0.51 C ATOM 741 CG TYR A 76 4.862 5.114 -7.552 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.652 5.645 -8.565 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.932 3.751 -7.310 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.487 4.839 -9.311 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.766 2.938 -8.050 1.00 0.59 C ATOM 746 CZ TYR A 76 6.541 3.489 -9.050 1.00 0.65 C ATOM 747 OH TYR A 76 7.378 2.684 -9.786 1.00 0.79 O ATOM 0 H TYR A 76 2.607 7.349 -5.229 1.00 0.59 H new ATOM 0 HA TYR A 76 4.533 5.400 -4.766 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.963 5.514 -6.679 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.790 6.933 -7.291 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.612 6.704 -8.771 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.324 3.318 -6.529 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.095 5.265 -10.095 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.812 1.878 -7.848 1.00 0.59 H new ATOM 0 HH TYR A 76 7.298 1.758 -9.475 1.00 0.79 H new ATOM 757 N GLY A 77 5.794 8.317 -5.593 1.00 0.48 N ATOM 758 CA GLY A 77 7.030 9.083 -5.599 1.00 0.50 C ATOM 759 C GLY A 77 7.689 9.140 -4.231 1.00 0.52 C ATOM 760 O GLY A 77 8.912 9.190 -4.126 1.00 0.60 O ATOM 0 H GLY A 77 4.953 8.867 -5.767 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.724 8.641 -6.314 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.823 10.097 -5.941 1.00 0.50 H new ATOM 764 N LYS A 78 6.876 9.119 -3.180 1.00 0.53 N ATOM 765 CA LYS A 78 7.393 9.131 -1.812 1.00 0.60 C ATOM 766 C LYS A 78 7.805 7.723 -1.414 1.00 0.59 C ATOM 767 O LYS A 78 8.752 7.520 -0.653 1.00 0.66 O ATOM 768 CB LYS A 78 6.342 9.678 -0.839 1.00 0.69 C ATOM 769 CG LYS A 78 5.773 11.022 -1.261 1.00 0.77 C ATOM 770 CD LYS A 78 6.880 12.021 -1.561 1.00 1.17 C ATOM 771 CE LYS A 78 6.344 13.261 -2.254 1.00 1.41 C ATOM 772 NZ LYS A 78 7.443 14.139 -2.731 1.00 2.09 N ATOM 0 H LYS A 78 5.858 9.094 -3.247 1.00 0.53 H new ATOM 0 HA LYS A 78 8.263 9.786 -1.768 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.528 8.958 -0.752 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.789 9.775 0.150 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.147 10.893 -2.144 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.132 11.412 -0.470 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.373 12.308 -0.632 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.635 11.550 -2.190 1.00 1.17 H new ATOM 0 HE2 LYS A 78 5.721 12.966 -3.098 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.707 13.816 -1.566 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 7.040 14.976 -3.199 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.023 14.440 -1.922 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.036 13.616 -3.407 1.00 2.09 H new ATOM 786 N PHE A 79 7.079 6.759 -1.949 1.00 0.52 N ATOM 787 CA PHE A 79 7.424 5.353 -1.838 1.00 0.50 C ATOM 788 C PHE A 79 8.791 5.109 -2.476 1.00 0.51 C ATOM 789 O PHE A 79 9.562 4.262 -2.036 1.00 0.56 O ATOM 790 CB PHE A 79 6.332 4.537 -2.537 1.00 0.48 C ATOM 791 CG PHE A 79 6.539 3.054 -2.511 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.201 2.320 -1.388 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.085 2.398 -3.600 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.402 0.960 -1.349 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.287 1.036 -3.567 1.00 0.61 C ATOM 796 CZ PHE A 79 6.894 0.309 -2.488 1.00 0.65 C ATOM 0 H PHE A 79 6.224 6.931 -2.478 1.00 0.52 H new ATOM 0 HA PHE A 79 7.485 5.049 -0.793 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.374 4.764 -2.069 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.265 4.862 -3.575 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.774 2.821 -0.532 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.355 2.958 -4.483 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.183 0.401 -0.451 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.760 0.543 -4.403 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.961 -0.769 -2.509 1.00 0.65 H new ATOM 806 N LYS A 80 9.080 5.891 -3.505 1.00 0.51 N ATOM 807 CA LYS A 80 10.351 5.822 -4.216 1.00 0.58 C ATOM 808 C LYS A 80 11.389 6.742 -3.577 1.00 0.63 C ATOM 809 O LYS A 80 12.588 6.607 -3.822 1.00 0.66 O ATOM 810 CB LYS A 80 10.139 6.204 -5.687 1.00 0.64 C ATOM 811 CG LYS A 80 9.828 5.023 -6.604 1.00 0.69 C ATOM 812 CD LYS A 80 8.980 3.969 -5.914 1.00 0.72 C ATOM 813 CE LYS A 80 8.836 2.713 -6.765 1.00 0.93 C ATOM 814 NZ LYS A 80 10.143 2.200 -7.261 1.00 1.09 N ATOM 0 H LYS A 80 8.439 6.594 -3.873 1.00 0.51 H new ATOM 0 HA LYS A 80 10.726 4.800 -4.156 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.322 6.923 -5.750 1.00 0.64 H new ATOM 0 HB3 LYS A 80 11.034 6.707 -6.052 1.00 0.64 H new ATOM 0 HG2 LYS A 80 9.307 5.382 -7.492 1.00 0.69 H new ATOM 0 HG3 LYS A 80 10.761 4.572 -6.942 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.431 3.709 -4.956 1.00 0.72 H new ATOM 0 HD3 LYS A 80 7.993 4.379 -5.701 1.00 0.72 H new ATOM 0 HE2 LYS A 80 8.345 1.936 -6.179 1.00 0.93 H new ATOM 0 HE3 LYS A 80 8.189 2.928 -7.615 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.108 1.162 -7.322 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 10.336 2.596 -8.203 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.899 2.483 -6.605 1.00 1.09 H new ATOM 828 N GLU A 81 10.917 7.664 -2.746 1.00 0.67 N ATOM 829 CA GLU A 81 11.780 8.640 -2.086 1.00 0.78 C ATOM 830 C GLU A 81 12.746 7.944 -1.135 1.00 0.67 C ATOM 831 O GLU A 81 13.959 8.157 -1.191 1.00 0.70 O ATOM 832 CB GLU A 81 10.925 9.652 -1.313 1.00 0.94 C ATOM 833 CG GLU A 81 11.710 10.809 -0.715 1.00 1.25 C ATOM 834 CD GLU A 81 12.229 11.762 -1.768 1.00 1.57 C ATOM 835 OE1 GLU A 81 11.448 12.615 -2.239 1.00 2.07 O ATOM 836 OE2 GLU A 81 13.416 11.669 -2.135 1.00 2.04 O ATOM 0 H GLU A 81 9.929 7.757 -2.510 1.00 0.67 H new ATOM 0 HA GLU A 81 12.359 9.164 -2.847 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.164 10.053 -1.982 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.402 9.131 -0.511 1.00 0.94 H new ATOM 0 HG2 GLU A 81 11.073 11.354 -0.018 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.549 10.416 -0.140 1.00 1.25 H new ATOM 843 N GLY A 82 12.196 7.102 -0.270 1.00 0.62 N ATOM 844 CA GLY A 82 13.009 6.377 0.686 1.00 0.62 C ATOM 845 C GLY A 82 14.000 5.449 0.012 1.00 0.62 C ATOM 846 O GLY A 82 15.164 5.391 0.404 1.00 0.72 O ATOM 0 H GLY A 82 11.196 6.908 -0.214 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.548 7.087 1.313 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.362 5.797 1.344 1.00 0.62 H new ATOM 850 N VAL A 83 13.530 4.728 -1.004 1.00 0.58 N ATOM 851 CA VAL A 83 14.386 3.843 -1.790 1.00 0.66 C ATOM 852 C VAL A 83 15.573 4.610 -2.373 1.00 0.73 C ATOM 853 O VAL A 83 16.729 4.231 -2.169 1.00 0.85 O ATOM 854 CB VAL A 83 13.707 3.286 -2.783 1.00 0.68 C ATOM 855 CG1 VAL A 83 14.553 2.231 -3.491 1.00 0.83 C ATOM 856 CG2 VAL A 83 12.402 2.684 -2.290 1.00 0.65 C ATOM 0 H VAL A 83 12.555 4.740 -1.303 1.00 0.58 H new ATOM 0 HA VAL A 83 14.750 3.065 -1.119 1.00 0.66 H new ATOM 0 HB VAL A 83 13.463 4.070 -3.500 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.976 1.787 -4.302 1.00 0.83 H new ATOM 0 HG12 VAL A 83 15.451 2.697 -3.897 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.837 1.455 -2.780 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.869 2.235 -3.128 1.00 0.65 H new ATOM 0 HG22 VAL A 83 12.614 1.919 -1.543 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.786 3.465 -1.845 1.00 0.65 H new ATOM 866 N ALA A 84 15.276 5.712 -3.065 1.00 0.70 N ATOM 867 CA ALA A 84 16.306 6.543 -3.683 1.00 0.81 C ATOM 868 C ALA A 84 17.295 7.060 -2.643 1.00 0.92 C ATOM 869 O ALA A 84 18.502 7.070 -2.873 1.00 1.14 O ATOM 870 CB ALA A 84 15.668 7.707 -4.428 1.00 0.85 C ATOM 0 H ALA A 84 14.324 6.049 -3.211 1.00 0.70 H new ATOM 0 HA ALA A 84 16.856 5.926 -4.394 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.447 8.318 -4.884 1.00 0.85 H new ATOM 0 HB2 ALA A 84 15.007 7.323 -5.205 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.093 8.314 -3.729 1.00 0.85 H new ATOM 876 N SER A 85 16.773 7.473 -1.498 1.00 0.92 N ATOM 877 CA SER A 85 17.603 7.965 -0.413 1.00 1.12 C ATOM 878 C SER A 85 18.474 6.845 0.154 1.00 1.16 C ATOM 879 O SER A 85 19.670 6.767 -0.135 1.00 1.40 O ATOM 880 CB SER A 85 16.726 8.567 0.684 1.00 1.38 C ATOM 881 OG SER A 85 15.863 9.563 0.156 1.00 1.82 O ATOM 0 H SER A 85 15.773 7.476 -1.297 1.00 0.92 H new ATOM 0 HA SER A 85 18.261 8.741 -0.804 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.135 7.781 1.155 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.356 9.001 1.461 1.00 1.38 H new ATOM 0 HG SER A 85 15.142 9.135 -0.351 1.00 1.82 H new ATOM 887 N GLY A 86 17.873 5.982 0.957 1.00 1.12 N ATOM 888 CA GLY A 86 18.602 4.881 1.548 1.00 1.47 C ATOM 889 C GLY A 86 17.669 3.868 2.168 1.00 1.35 C ATOM 890 O GLY A 86 17.425 2.800 1.605 1.00 1.65 O ATOM 0 H GLY A 86 16.886 6.025 1.211 1.00 1.12 H new ATOM 0 HA2 GLY A 86 19.212 4.396 0.786 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.284 5.261 2.308 1.00 1.47 H new ATOM 894 N ASN A 87 17.135 4.218 3.326 1.00 1.30 N ATOM 895 CA ASN A 87 16.198 3.360 4.031 1.00 1.28 C ATOM 896 C ASN A 87 14.766 3.796 3.740 1.00 0.81 C ATOM 897 O ASN A 87 14.498 4.980 3.538 1.00 1.19 O ATOM 898 CB ASN A 87 16.479 3.376 5.541 1.00 1.94 C ATOM 899 CG ASN A 87 16.509 4.776 6.133 1.00 2.79 C ATOM 900 OD1 ASN A 87 15.493 5.297 6.595 1.00 3.50 O ATOM 901 ND2 ASN A 87 17.678 5.397 6.125 1.00 3.16 N ATOM 0 H ASN A 87 17.337 5.098 3.801 1.00 1.30 H new ATOM 0 HA ASN A 87 16.326 2.337 3.677 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.715 2.790 6.052 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.435 2.888 5.731 1.00 1.94 H new ATOM 0 HD21 ASN A 87 17.758 6.338 6.510 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.499 4.934 5.734 1.00 3.16 H new ATOM 908 N LEU A 88 13.851 2.838 3.716 1.00 0.61 N ATOM 909 CA LEU A 88 12.471 3.113 3.373 1.00 0.75 C ATOM 910 C LEU A 88 11.595 2.938 4.605 1.00 0.56 C ATOM 911 O LEU A 88 11.427 1.826 5.099 1.00 1.00 O ATOM 912 CB LEU A 88 12.019 2.192 2.227 1.00 1.61 C ATOM 913 CG LEU A 88 10.668 2.525 1.568 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.504 2.068 2.429 1.00 2.96 C ATOM 915 CD2 LEU A 88 10.561 4.014 1.287 1.00 2.90 C ATOM 0 H LEU A 88 14.045 1.860 3.932 1.00 0.61 H new ATOM 0 HA LEU A 88 12.376 4.143 3.029 1.00 0.75 H new ATOM 0 HB2 LEU A 88 12.788 2.207 1.454 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.970 1.172 2.609 1.00 1.61 H new ATOM 0 HG LEU A 88 10.621 1.985 0.622 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.565 2.318 1.935 1.00 2.96 H new ATOM 0 HD12 LEU A 88 9.561 0.989 2.575 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.549 2.568 3.397 1.00 2.96 H new ATOM 0 HD21 LEU A 88 9.599 4.228 0.821 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.643 4.568 2.222 1.00 2.90 H new ATOM 0 HD23 LEU A 88 11.365 4.316 0.615 1.00 2.90 H new ATOM 927 N ASN A 89 11.072 4.046 5.116 1.00 0.54 N ATOM 928 CA ASN A 89 10.154 4.016 6.253 1.00 0.47 C ATOM 929 C ASN A 89 9.627 5.412 6.563 1.00 0.59 C ATOM 930 O ASN A 89 10.234 6.189 7.299 1.00 0.97 O ATOM 931 CB ASN A 89 10.782 3.371 7.511 1.00 0.50 C ATOM 932 CG ASN A 89 11.982 4.113 8.088 1.00 1.31 C ATOM 933 OD1 ASN A 89 12.145 4.186 9.305 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.845 4.630 7.231 1.00 1.82 N ATOM 0 H ASN A 89 11.268 4.982 4.760 1.00 0.54 H new ATOM 0 HA ASN A 89 9.316 3.383 5.962 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.016 3.296 8.283 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.087 2.354 7.265 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.679 5.108 7.573 1.00 1.82 H new ATOM 0 HD22 ASN A 89 12.678 4.551 6.228 1.00 1.82 H new ATOM 941 N THR A 90 8.497 5.734 5.964 1.00 0.51 N ATOM 942 CA THR A 90 7.847 7.007 6.191 1.00 0.61 C ATOM 943 C THR A 90 6.363 6.770 6.487 1.00 0.53 C ATOM 944 O THR A 90 5.820 5.719 6.151 1.00 0.51 O ATOM 945 CB THR A 90 7.988 7.812 5.139 1.00 0.75 C ATOM 946 OG1 THR A 90 9.359 7.806 4.699 1.00 1.63 O ATOM 947 CG2 THR A 90 7.579 9.249 5.447 1.00 1.39 C ATOM 0 H THR A 90 8.007 5.123 5.310 1.00 0.51 H new ATOM 0 HA THR A 90 8.316 7.495 7.045 1.00 0.61 H new ATOM 0 HB THR A 90 7.330 7.432 4.358 1.00 0.75 H new ATOM 0 HG1 THR A 90 9.457 8.398 3.924 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.713 9.864 4.557 1.00 1.39 H new ATOM 0 HG22 THR A 90 6.532 9.272 5.750 1.00 1.39 H new ATOM 0 HG23 THR A 90 8.199 9.639 6.254 1.00 1.39 H new ATOM 955 N MET A 91 5.743 7.692 7.202 1.00 0.55 N ATOM 956 CA MET A 91 4.315 7.622 7.459 1.00 0.51 C ATOM 957 C MET A 91 3.650 8.938 7.085 1.00 0.57 C ATOM 958 O MET A 91 3.775 9.935 7.795 1.00 0.75 O ATOM 959 CB MET A 91 4.041 7.278 8.928 1.00 0.60 C ATOM 960 CG MET A 91 4.783 8.157 9.922 1.00 1.14 C ATOM 961 SD MET A 91 4.381 7.752 11.628 1.00 1.61 S ATOM 962 CE MET A 91 5.391 8.945 12.501 1.00 1.77 C ATOM 0 H MET A 91 6.207 8.500 7.616 1.00 0.55 H new ATOM 0 HA MET A 91 3.892 6.829 6.843 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.970 7.361 9.115 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.316 6.238 9.104 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.857 8.048 9.769 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.538 9.202 9.732 1.00 1.14 H new ATOM 0 HE1 MET A 91 5.253 8.822 13.575 1.00 1.77 H new ATOM 0 HE2 MET A 91 6.440 8.787 12.250 1.00 1.77 H new ATOM 0 HE3 MET A 91 5.096 9.953 12.210 1.00 1.77 H new ATOM 972 N PHE A 92 2.968 8.945 5.957 1.00 0.49 N ATOM 973 CA PHE A 92 2.297 10.147 5.493 1.00 0.55 C ATOM 974 C PHE A 92 0.826 9.863 5.243 1.00 0.48 C ATOM 975 O PHE A 92 0.412 8.708 5.222 1.00 0.47 O ATOM 976 CB PHE A 92 2.983 10.716 4.239 1.00 0.72 C ATOM 977 CG PHE A 92 3.048 9.779 3.063 1.00 1.04 C ATOM 978 CD1 PHE A 92 2.184 9.927 1.988 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.963 8.738 3.040 1.00 1.83 C ATOM 980 CE1 PHE A 92 2.233 9.058 0.915 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.017 7.869 1.970 1.00 2.86 C ATOM 982 CZ PHE A 92 3.185 8.068 0.877 1.00 3.01 C ATOM 0 H PHE A 92 2.863 8.136 5.345 1.00 0.49 H new ATOM 0 HA PHE A 92 2.369 10.907 6.271 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.455 11.620 3.934 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.998 11.013 4.503 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.464 10.732 1.990 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.642 8.606 3.870 1.00 1.83 H new ATOM 0 HE1 PHE A 92 1.524 9.157 0.107 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.705 7.036 1.983 1.00 2.86 H new ATOM 0 HZ PHE A 92 3.286 7.447 -0.001 1.00 3.01 H new ATOM 992 N GLU A 93 0.032 10.905 5.082 1.00 0.48 N ATOM 993 CA GLU A 93 -1.401 10.729 4.913 1.00 0.47 C ATOM 994 C GLU A 93 -1.793 10.911 3.453 1.00 0.45 C ATOM 995 O GLU A 93 -1.395 11.882 2.805 1.00 0.53 O ATOM 996 CB GLU A 93 -2.165 11.712 5.803 1.00 0.58 C ATOM 997 CG GLU A 93 -1.869 11.535 7.283 1.00 1.30 C ATOM 998 CD GLU A 93 -2.627 12.515 8.153 1.00 1.73 C ATOM 999 OE1 GLU A 93 -3.691 12.146 8.688 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -2.158 13.660 8.313 1.00 2.04 O ATOM 0 H GLU A 93 0.349 11.874 5.064 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.664 9.715 5.213 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.913 12.731 5.508 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -3.235 11.587 5.636 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -2.125 10.518 7.581 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -0.799 11.658 7.452 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.568 9.967 2.942 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.956 9.964 1.542 1.00 0.51 C ATOM 1009 C TYR A 94 -4.436 9.617 1.420 1.00 0.42 C ATOM 1010 O TYR A 94 -5.022 9.031 2.332 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.095 8.961 0.759 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.236 9.064 -0.746 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.911 8.086 -1.465 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.701 10.141 -1.444 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.049 8.176 -2.837 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -1.835 10.237 -2.816 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.481 9.252 -3.511 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.648 9.346 -4.876 1.00 3.37 O ATOM 0 H TYR A 94 -2.943 9.187 3.482 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.795 10.956 1.120 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.049 9.111 1.026 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.361 7.951 1.069 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.335 7.241 -0.943 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.173 10.914 -0.906 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.593 7.418 -3.381 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -1.429 11.090 -3.340 1.00 1.83 H new ATOM 0 HH TYR A 94 -2.932 8.478 -5.231 1.00 3.37 H new ATOM 1028 N THR A 95 -5.028 9.965 0.296 1.00 0.46 N ATOM 1029 CA THR A 95 -6.445 9.760 0.088 1.00 0.46 C ATOM 1030 C THR A 95 -6.679 8.548 -0.811 1.00 0.47 C ATOM 1031 O THR A 95 -6.320 8.555 -1.992 1.00 0.60 O ATOM 1032 CB THR A 95 -6.972 10.836 -0.460 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.430 12.005 0.180 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.485 10.843 -0.332 1.00 1.09 C ATOM 0 H THR A 95 -4.544 10.394 -0.493 1.00 0.46 H new ATOM 0 HA THR A 95 -6.922 9.576 1.051 1.00 0.46 H new ATOM 0 HB THR A 95 -6.725 10.836 -1.522 1.00 0.59 H new ATOM 0 HG1 THR A 95 -6.817 12.809 -0.225 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.885 11.745 -0.795 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.896 9.966 -0.831 1.00 1.09 H new ATOM 0 HG23 THR A 95 -8.761 10.823 0.722 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.275 7.508 -0.246 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.518 6.279 -0.976 1.00 0.53 C ATOM 1044 C PHE A 96 -9.000 6.118 -1.229 1.00 0.62 C ATOM 1045 O PHE A 96 -9.760 5.746 -0.337 1.00 0.78 O ATOM 1046 CB PHE A 96 -6.996 5.069 -0.203 1.00 0.69 C ATOM 1047 CG PHE A 96 -5.516 4.856 -0.326 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -4.983 4.173 -1.406 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -4.656 5.358 0.636 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -3.619 3.991 -1.522 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -3.291 5.178 0.527 1.00 1.18 C ATOM 1052 CZ PHE A 96 -2.782 4.425 -0.555 1.00 1.03 C ATOM 0 H PHE A 96 -7.600 7.494 0.721 1.00 0.43 H new ATOM 0 HA PHE A 96 -6.987 6.336 -1.926 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -7.249 5.188 0.851 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -7.511 4.176 -0.556 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.641 3.778 -2.166 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -5.057 5.897 1.482 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.218 3.497 -2.394 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -2.622 5.607 1.258 1.00 1.18 H new ATOM 0 HZ PHE A 96 -1.728 4.197 -0.608 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.403 6.397 -2.450 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.799 6.317 -2.821 1.00 0.88 C ATOM 1064 C ASP A 97 -10.958 5.433 -4.033 1.00 0.95 C ATOM 1065 O ASP A 97 -10.680 5.867 -5.152 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.367 7.697 -3.163 1.00 1.17 C ATOM 1067 CG ASP A 97 -11.161 8.724 -2.075 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.713 9.847 -2.400 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -11.441 8.418 -0.905 1.00 2.57 O ATOM 0 H ASP A 97 -8.780 6.683 -3.206 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.340 5.907 -1.968 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -10.901 8.055 -4.081 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -12.434 7.602 -3.363 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.387 4.199 -3.837 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.728 3.357 -4.970 1.00 1.30 C ATOM 1076 C TYR A 98 -13.048 3.855 -5.539 1.00 1.26 C ATOM 1077 O TYR A 98 -14.060 3.155 -5.500 1.00 2.02 O ATOM 1078 CB TYR A 98 -11.833 1.882 -4.571 1.00 1.57 C ATOM 1079 CG TYR A 98 -11.609 0.931 -5.731 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.337 0.451 -6.009 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -12.656 0.526 -6.552 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.110 -0.404 -7.067 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -12.436 -0.334 -7.614 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.161 -0.794 -7.866 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.933 -1.649 -8.920 1.00 3.21 O ATOM 0 H TYR A 98 -11.506 3.764 -2.922 1.00 1.21 H new ATOM 0 HA TYR A 98 -10.939 3.420 -5.720 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -11.102 1.671 -3.790 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -12.819 1.697 -4.144 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.509 0.753 -5.385 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -13.655 0.888 -6.358 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -9.112 -0.766 -7.268 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -13.259 -0.643 -8.242 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.777 -1.828 -9.384 1.00 3.21 H new ATOM 1095 N GLN A 99 -13.016 5.094 -6.038 1.00 1.11 N ATOM 1096 CA GLN A 99 -14.210 5.797 -6.474 1.00 1.70 C ATOM 1097 C GLN A 99 -15.117 6.006 -5.263 1.00 1.80 C ATOM 1098 O GLN A 99 -16.256 5.542 -5.223 1.00 2.28 O ATOM 1099 CB GLN A 99 -14.902 5.003 -7.580 1.00 2.11 C ATOM 1100 CG GLN A 99 -13.941 4.583 -8.692 1.00 2.28 C ATOM 1101 CD GLN A 99 -14.352 3.296 -9.391 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -14.198 3.167 -10.604 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -14.808 2.308 -8.630 1.00 2.81 N ATOM 0 H GLN A 99 -12.157 5.632 -6.148 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.957 6.773 -6.889 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -15.364 4.115 -7.150 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -15.704 5.605 -8.007 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -13.877 5.384 -9.429 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -12.943 4.457 -8.272 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -14.924 2.449 -7.626 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -15.042 1.408 -9.049 1.00 2.81 H new ATOM 1112 N MET A 100 -14.578 6.716 -4.273 1.00 1.50 N ATOM 1113 CA MET A 100 -15.189 6.814 -2.952 1.00 1.55 C ATOM 1114 C MET A 100 -15.226 8.256 -2.472 1.00 1.40 C ATOM 1115 O MET A 100 -14.562 9.124 -3.043 1.00 1.30 O ATOM 1116 CB MET A 100 -14.391 5.956 -1.958 1.00 1.54 C ATOM 1117 CG MET A 100 -15.113 5.694 -0.645 1.00 1.64 C ATOM 1118 SD MET A 100 -16.664 4.800 -0.872 1.00 2.37 S ATOM 1119 CE MET A 100 -16.071 3.275 -1.604 1.00 2.85 C ATOM 0 H MET A 100 -13.707 7.238 -4.366 1.00 1.50 H new ATOM 0 HA MET A 100 -16.215 6.451 -3.016 1.00 1.55 H new ATOM 0 HB2 MET A 100 -14.154 5.001 -2.427 1.00 1.54 H new ATOM 0 HB3 MET A 100 -13.443 6.451 -1.747 1.00 1.54 H new ATOM 0 HG2 MET A 100 -14.462 5.122 0.016 1.00 1.64 H new ATOM 0 HG3 MET A 100 -15.315 6.644 -0.150 1.00 1.64 H new ATOM 0 HE1 MET A 100 -16.649 2.436 -1.216 1.00 2.85 H new ATOM 0 HE2 MET A 100 -16.184 3.323 -2.687 1.00 2.85 H new ATOM 0 HE3 MET A 100 -15.019 3.137 -1.354 1.00 2.85 H new ATOM 1129 N THR A 101 -16.028 8.515 -1.442 1.00 1.46 N ATOM 1130 CA THR A 101 -15.966 9.779 -0.738 1.00 1.40 C ATOM 1131 C THR A 101 -14.566 9.954 -0.170 1.00 1.14 C ATOM 1132 O THR A 101 -13.904 8.953 0.080 1.00 1.13 O ATOM 1133 CB THR A 101 -16.848 9.823 0.239 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.754 8.624 1.026 1.00 2.12 O ATOM 1135 CG2 THR A 101 -18.258 9.981 -0.300 1.00 2.05 C ATOM 0 H THR A 101 -16.725 7.863 -1.082 1.00 1.46 H new ATOM 0 HA THR A 101 -16.197 10.583 -1.437 1.00 1.40 H new ATOM 0 HB THR A 101 -16.628 10.690 0.863 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.409 8.658 1.754 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.963 10.014 0.530 1.00 2.05 H new ATOM 0 HG22 THR A 101 -18.327 10.906 -0.872 1.00 2.05 H new ATOM 0 HG23 THR A 101 -18.497 9.136 -0.946 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.084 11.201 0.008 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.683 11.466 0.378 1.00 1.00 C ATOM 1145 C PRO A 102 -12.233 10.720 1.636 1.00 0.92 C ATOM 1146 O PRO A 102 -12.362 11.223 2.756 1.00 1.15 O ATOM 1147 CB PRO A 102 -12.652 12.981 0.606 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.795 13.509 -0.183 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.855 12.450 -0.127 1.00 1.44 C ATOM 0 HA PRO A 102 -11.998 11.120 -0.396 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -12.756 13.224 1.664 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -11.708 13.412 0.271 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.158 14.448 0.235 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.499 13.712 -1.212 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.528 12.600 0.717 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.469 12.448 -1.028 1.00 1.44 H new ATOM 1157 N THR A 103 -11.738 9.507 1.442 1.00 0.73 N ATOM 1158 CA THR A 103 -11.203 8.702 2.527 1.00 0.70 C ATOM 1159 C THR A 103 -9.706 8.953 2.699 1.00 0.58 C ATOM 1160 O THR A 103 -8.888 8.476 1.908 1.00 0.54 O ATOM 1161 CB THR A 103 -11.396 7.422 2.282 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.736 7.215 1.806 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.159 6.579 3.526 1.00 1.40 C ATOM 0 H THR A 103 -11.696 9.054 0.529 1.00 0.73 H new ATOM 0 HA THR A 103 -11.722 8.985 3.443 1.00 0.70 H new ATOM 0 HB THR A 103 -10.681 7.112 1.520 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.806 7.526 0.879 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.326 5.528 3.291 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.133 6.715 3.868 1.00 1.40 H new ATOM 0 HG23 THR A 103 -11.848 6.889 4.312 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.340 9.672 3.749 1.00 0.60 N ATOM 1172 CA LYS A 104 -7.941 9.978 3.992 1.00 0.59 C ATOM 1173 C LYS A 104 -7.398 9.083 5.091 1.00 0.58 C ATOM 1174 O LYS A 104 -7.917 9.070 6.209 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.755 11.445 4.382 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.271 12.429 3.346 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.842 13.850 3.676 1.00 1.90 C ATOM 1178 CE LYS A 104 -8.399 14.845 2.674 1.00 2.46 C ATOM 1179 NZ LYS A 104 -7.808 16.197 2.849 1.00 3.08 N ATOM 0 H LYS A 104 -9.987 10.051 4.441 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.391 9.797 3.069 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.266 11.627 5.327 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -6.695 11.634 4.551 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -7.897 12.153 2.360 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -9.359 12.376 3.300 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -8.183 14.111 4.678 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -6.754 13.910 3.684 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -8.202 14.491 1.662 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -9.482 14.905 2.785 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -8.214 16.847 2.146 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -8.018 16.546 3.806 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -6.778 16.145 2.718 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.373 8.320 4.758 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.755 7.411 5.706 1.00 0.47 C ATOM 1195 C VAL A 105 -4.276 7.732 5.864 1.00 0.40 C ATOM 1196 O VAL A 105 -3.709 8.492 5.077 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.888 6.138 5.347 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.354 5.728 5.319 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.236 5.866 4.001 1.00 0.94 C ATOM 0 H VAL A 105 -5.948 8.312 3.831 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.272 7.551 6.655 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.375 5.536 6.097 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.434 4.682 5.022 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.787 5.858 6.311 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.892 6.350 4.604 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.365 4.816 3.740 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.703 6.489 3.238 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.173 6.098 4.058 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.660 7.172 6.889 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.238 7.365 7.105 1.00 0.42 C ATOM 1211 C LYS A 106 -1.504 6.109 6.674 1.00 0.40 C ATOM 1212 O LYS A 106 -1.762 5.018 7.192 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.954 7.675 8.577 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.545 8.176 8.845 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.345 8.471 10.324 1.00 0.83 C ATOM 1216 CE LYS A 106 1.003 9.111 10.598 1.00 1.56 C ATOM 1217 NZ LYS A 106 1.176 9.415 12.043 1.00 1.69 N ATOM 0 H LYS A 106 -4.120 6.582 7.582 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.891 8.213 6.514 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.666 8.424 8.923 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.126 6.775 9.167 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.179 7.430 8.518 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.358 9.078 8.262 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.138 9.133 10.672 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.429 7.545 10.893 1.00 0.83 H new ATOM 0 HE2 LYS A 106 1.798 8.443 10.268 1.00 1.56 H new ATOM 0 HE3 LYS A 106 1.096 10.029 10.018 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 1.135 10.444 12.189 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 0.417 8.958 12.587 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 2.097 9.056 12.365 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.599 6.258 5.722 1.00 0.37 N ATOM 1232 CA VAL A 107 0.076 5.127 5.146 1.00 0.42 C ATOM 1233 C VAL A 107 1.515 5.066 5.645 1.00 0.40 C ATOM 1234 O VAL A 107 2.318 5.983 5.446 1.00 0.54 O ATOM 1235 CB VAL A 107 0.009 5.140 3.811 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.549 6.438 3.212 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.705 3.934 3.208 1.00 1.27 C ATOM 0 H VAL A 107 -0.319 7.160 5.336 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.433 4.220 5.471 1.00 0.42 H new ATOM 0 HB VAL A 107 -1.049 5.085 3.554 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.472 6.397 2.126 1.00 1.26 H new ATOM 0 HG12 VAL A 107 -0.033 7.281 3.586 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.594 6.563 3.497 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.631 3.977 2.121 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.755 3.936 3.501 1.00 1.27 H new ATOM 0 HG23 VAL A 107 0.230 3.022 3.568 1.00 1.27 H new ATOM 1247 N HIS A 108 1.810 4.007 6.368 1.00 0.34 N ATOM 1248 CA HIS A 108 3.132 3.809 6.915 1.00 0.34 C ATOM 1249 C HIS A 108 3.821 2.700 6.146 1.00 0.32 C ATOM 1250 O HIS A 108 3.508 1.530 6.326 1.00 0.44 O ATOM 1251 CB HIS A 108 3.024 3.452 8.402 1.00 0.45 C ATOM 1252 CG HIS A 108 4.312 3.545 9.165 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.463 3.047 10.442 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.499 4.113 8.847 1.00 0.54 C ATOM 1255 CE1 HIS A 108 5.679 3.305 10.873 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.329 3.950 9.926 1.00 0.68 N ATOM 0 H HIS A 108 1.146 3.266 6.591 1.00 0.34 H new ATOM 0 HA HIS A 108 3.718 4.723 6.823 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.293 4.113 8.868 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.638 2.437 8.491 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.746 4.603 7.917 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.077 3.034 11.840 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.294 4.276 9.986 1.00 0.68 H new ATOM 1265 N MET A 109 4.734 3.066 5.267 1.00 0.30 N ATOM 1266 CA MET A 109 5.441 2.069 4.474 1.00 0.39 C ATOM 1267 C MET A 109 6.856 1.876 5.015 1.00 0.34 C ATOM 1268 O MET A 109 7.545 2.848 5.330 1.00 0.45 O ATOM 1269 CB MET A 109 5.437 2.451 2.980 1.00 0.65 C ATOM 1270 CG MET A 109 6.452 3.506 2.559 1.00 0.87 C ATOM 1271 SD MET A 109 6.047 5.162 3.135 1.00 2.22 S ATOM 1272 CE MET A 109 7.302 6.112 2.278 1.00 2.49 C ATOM 0 H MET A 109 5.004 4.032 5.082 1.00 0.30 H new ATOM 0 HA MET A 109 4.921 1.115 4.557 1.00 0.39 H new ATOM 0 HB2 MET A 109 5.615 1.549 2.394 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.441 2.809 2.719 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.434 3.227 2.941 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.524 3.516 1.471 1.00 0.87 H new ATOM 0 HE1 MET A 109 6.950 7.134 2.134 1.00 2.49 H new ATOM 0 HE2 MET A 109 8.217 6.123 2.870 1.00 2.49 H new ATOM 0 HE3 MET A 109 7.503 5.658 1.308 1.00 2.49 H new ATOM 1282 N LYS A 110 7.277 0.616 5.157 1.00 0.32 N ATOM 1283 CA LYS A 110 8.543 0.301 5.817 1.00 0.35 C ATOM 1284 C LYS A 110 9.262 -0.836 5.101 1.00 0.32 C ATOM 1285 O LYS A 110 8.660 -1.844 4.773 1.00 0.45 O ATOM 1286 CB LYS A 110 8.305 -0.086 7.282 1.00 0.50 C ATOM 1287 CG LYS A 110 7.715 1.035 8.121 1.00 0.97 C ATOM 1288 CD LYS A 110 7.472 0.621 9.567 1.00 0.91 C ATOM 1289 CE LYS A 110 8.768 0.330 10.313 1.00 1.31 C ATOM 1290 NZ LYS A 110 9.192 -1.089 10.182 1.00 1.57 N ATOM 0 H LYS A 110 6.761 -0.198 4.825 1.00 0.32 H new ATOM 0 HA LYS A 110 9.169 1.193 5.778 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.636 -0.946 7.318 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.251 -0.400 7.724 1.00 0.50 H new ATOM 0 HG2 LYS A 110 8.389 1.892 8.101 1.00 0.97 H new ATOM 0 HG3 LYS A 110 6.774 1.359 7.677 1.00 0.97 H new ATOM 0 HD2 LYS A 110 6.929 1.413 10.083 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.838 -0.265 9.587 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.557 0.979 9.932 1.00 1.31 H new ATOM 0 HE3 LYS A 110 8.639 0.572 11.368 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.354 -1.491 11.127 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 8.447 -1.631 9.698 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 10.071 -1.139 9.629 1.00 1.57 H new ATOM 1304 N LYS A 111 10.551 -0.670 4.889 1.00 0.37 N ATOM 1305 CA LYS A 111 11.350 -1.629 4.135 1.00 0.38 C ATOM 1306 C LYS A 111 11.749 -2.811 5.010 1.00 0.43 C ATOM 1307 O LYS A 111 12.157 -2.632 6.160 1.00 0.60 O ATOM 1308 CB LYS A 111 12.601 -0.931 3.593 1.00 0.49 C ATOM 1309 CG LYS A 111 13.344 -1.726 2.535 1.00 0.56 C ATOM 1310 CD LYS A 111 14.524 -0.949 1.967 1.00 1.03 C ATOM 1311 CE LYS A 111 15.560 -0.611 3.029 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.257 -1.820 3.542 1.00 2.13 N ATOM 0 H LYS A 111 11.080 0.132 5.232 1.00 0.37 H new ATOM 0 HA LYS A 111 10.753 -2.009 3.306 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.313 0.033 3.173 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.279 -0.728 4.422 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.699 -2.662 2.967 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.659 -1.987 1.728 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.995 -1.534 1.177 1.00 1.03 H new ATOM 0 HD3 LYS A 111 14.163 -0.028 1.509 1.00 1.03 H new ATOM 0 HE2 LYS A 111 16.293 0.079 2.611 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.073 -0.096 3.857 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.010 -1.534 4.200 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 15.576 -2.429 4.039 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 16.673 -2.345 2.746 1.00 2.13 H new ATOM 1326 N ALA A 112 11.646 -4.013 4.460 1.00 0.44 N ATOM 1327 CA ALA A 112 11.980 -5.224 5.193 1.00 0.59 C ATOM 1328 C ALA A 112 12.673 -6.243 4.289 1.00 0.92 C ATOM 1329 O ALA A 112 13.008 -5.943 3.139 1.00 1.57 O ATOM 1330 CB ALA A 112 10.722 -5.821 5.802 1.00 0.96 C ATOM 0 H ALA A 112 11.332 -4.175 3.503 1.00 0.44 H new ATOM 0 HA ALA A 112 12.674 -4.963 5.992 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.978 -6.728 6.350 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.271 -5.100 6.484 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.014 -6.064 5.010 1.00 0.96 H new ATOM 1336 N LEU A 113 12.897 -7.438 4.818 1.00 1.01 N ATOM 1337 CA LEU A 113 13.535 -8.506 4.061 1.00 1.49 C ATOM 1338 C LEU A 113 12.509 -9.579 3.691 1.00 1.26 C ATOM 1339 O LEU A 113 11.302 -9.334 3.772 1.00 2.05 O ATOM 1340 CB LEU A 113 14.685 -9.111 4.873 1.00 2.52 C ATOM 1341 CG LEU A 113 15.807 -8.135 5.242 1.00 3.38 C ATOM 1342 CD1 LEU A 113 16.863 -8.833 6.085 1.00 3.91 C ATOM 1343 CD2 LEU A 113 16.432 -7.543 3.985 1.00 4.41 C ATOM 0 H LEU A 113 12.645 -7.693 5.773 1.00 1.01 H new ATOM 0 HA LEU A 113 13.944 -8.092 3.139 1.00 1.49 H new ATOM 0 HB2 LEU A 113 14.277 -9.534 5.791 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.115 -9.936 4.305 1.00 2.52 H new ATOM 0 HG LEU A 113 15.379 -7.323 5.830 1.00 3.38 H new ATOM 0 HD11 LEU A 113 17.653 -8.125 6.338 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.407 -9.211 7.000 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.288 -9.664 5.522 1.00 3.91 H new ATOM 0 HD21 LEU A 113 17.227 -6.852 4.265 1.00 4.41 H new ATOM 0 HD22 LEU A 113 16.846 -8.344 3.373 1.00 4.41 H new ATOM 0 HD23 LEU A 113 15.670 -7.009 3.417 1.00 4.41 H new ATOM 1355 N SER A 114 12.994 -10.754 3.280 1.00 1.21 N ATOM 1356 CA SER A 114 12.136 -11.866 2.865 1.00 1.56 C ATOM 1357 C SER A 114 11.376 -11.504 1.593 1.00 1.72 C ATOM 1358 O SER A 114 10.148 -11.588 1.528 1.00 2.36 O ATOM 1359 CB SER A 114 11.172 -12.260 3.989 1.00 2.13 C ATOM 1360 OG SER A 114 11.889 -12.610 5.166 1.00 2.55 O ATOM 0 H SER A 114 13.991 -10.960 3.226 1.00 1.21 H new ATOM 0 HA SER A 114 12.768 -12.728 2.652 1.00 1.56 H new ATOM 0 HB2 SER A 114 10.496 -11.432 4.202 1.00 2.13 H new ATOM 0 HB3 SER A 114 10.556 -13.100 3.669 1.00 2.13 H new ATOM 0 HG SER A 114 11.257 -12.857 5.873 1.00 2.55 H new ATOM 1366 N GLY A 115 12.130 -11.100 0.581 1.00 1.73 N ATOM 1367 CA GLY A 115 11.543 -10.689 -0.673 1.00 2.05 C ATOM 1368 C GLY A 115 11.977 -9.292 -1.060 1.00 1.87 C ATOM 1369 O GLY A 115 11.599 -8.790 -2.123 1.00 2.62 O ATOM 0 H GLY A 115 13.148 -11.050 0.610 1.00 1.73 H new ATOM 0 HA2 GLY A 115 11.830 -11.390 -1.457 1.00 2.05 H new ATOM 0 HA3 GLY A 115 10.456 -10.725 -0.596 1.00 2.05 H new ATOM 1373 N ASP A 116 12.767 -8.663 -0.183 1.00 1.38 N ATOM 1374 CA ASP A 116 13.269 -7.304 -0.409 1.00 1.29 C ATOM 1375 C ASP A 116 12.120 -6.348 -0.684 1.00 1.01 C ATOM 1376 O ASP A 116 12.207 -5.469 -1.544 1.00 1.32 O ATOM 1377 CB ASP A 116 14.275 -7.276 -1.566 1.00 1.58 C ATOM 1378 CG ASP A 116 15.645 -7.777 -1.157 1.00 2.09 C ATOM 1379 OD1 ASP A 116 15.770 -8.977 -0.831 1.00 2.76 O ATOM 1380 OD2 ASP A 116 16.605 -6.985 -1.171 1.00 2.42 O ATOM 0 H ASP A 116 13.074 -9.078 0.697 1.00 1.38 H new ATOM 0 HA ASP A 116 13.782 -6.980 0.497 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.898 -7.888 -2.386 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.362 -6.257 -1.943 1.00 1.58 H new ATOM 1385 N SER A 117 11.051 -6.508 0.073 1.00 0.60 N ATOM 1386 CA SER A 117 9.855 -5.734 -0.131 1.00 0.36 C ATOM 1387 C SER A 117 9.620 -4.832 1.076 1.00 0.34 C ATOM 1388 O SER A 117 10.443 -4.780 1.990 1.00 0.54 O ATOM 1389 CB SER A 117 8.662 -6.669 -0.354 1.00 0.35 C ATOM 1390 OG SER A 117 9.083 -7.918 -0.874 1.00 1.07 O ATOM 0 H SER A 117 10.993 -7.176 0.841 1.00 0.60 H new ATOM 0 HA SER A 117 9.969 -5.108 -1.016 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.135 -6.823 0.588 1.00 0.35 H new ATOM 0 HB3 SER A 117 7.956 -6.205 -1.042 1.00 0.35 H new ATOM 0 HG SER A 117 8.373 -8.295 -1.434 1.00 1.07 H new ATOM 1396 N TYR A 118 8.512 -4.121 1.078 1.00 0.22 N ATOM 1397 CA TYR A 118 8.177 -3.235 2.159 1.00 0.24 C ATOM 1398 C TYR A 118 6.870 -3.681 2.775 1.00 0.24 C ATOM 1399 O TYR A 118 6.021 -4.271 2.103 1.00 0.26 O ATOM 1400 CB TYR A 118 8.037 -1.800 1.646 1.00 0.30 C ATOM 1401 CG TYR A 118 9.079 -1.430 0.619 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.812 -1.575 -0.726 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.322 -0.949 0.992 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.756 -1.254 -1.678 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.273 -0.622 0.046 1.00 0.72 C ATOM 1406 CZ TYR A 118 10.984 -0.778 -1.289 1.00 0.67 C ATOM 1407 OH TYR A 118 11.927 -0.459 -2.239 1.00 0.86 O ATOM 0 H TYR A 118 7.822 -4.145 0.327 1.00 0.22 H new ATOM 0 HA TYR A 118 8.971 -3.264 2.906 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.046 -1.672 1.211 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.106 -1.112 2.488 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.847 -1.946 -1.039 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.552 -0.827 2.040 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.530 -1.377 -2.727 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.238 -0.246 0.353 1.00 0.72 H new ATOM 0 HH TYR A 118 11.479 -0.165 -3.059 1.00 0.86 H new ATOM 1417 N TRP A 119 6.715 -3.395 4.036 1.00 0.27 N ATOM 1418 CA TRP A 119 5.487 -3.656 4.736 1.00 0.30 C ATOM 1419 C TRP A 119 4.736 -2.354 4.880 1.00 0.33 C ATOM 1420 O TRP A 119 5.161 -1.466 5.621 1.00 0.38 O ATOM 1421 CB TRP A 119 5.782 -4.253 6.111 1.00 0.36 C ATOM 1422 CG TRP A 119 6.107 -5.713 6.065 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.344 -6.274 5.949 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.176 -6.798 6.132 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.243 -7.643 5.942 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.920 -7.990 6.052 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.787 -6.878 6.256 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.320 -9.246 6.085 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.191 -8.125 6.287 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.957 -9.294 6.207 1.00 0.62 C ATOM 0 H TRP A 119 7.442 -2.971 4.613 1.00 0.27 H new ATOM 0 HA TRP A 119 4.884 -4.372 4.178 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.617 -3.716 6.561 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.919 -4.100 6.759 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.269 -5.722 5.874 1.00 0.48 H new ATOM 0 HE1 TRP A 119 8.024 -8.295 5.867 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.189 -5.981 6.326 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.908 -10.149 6.017 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.117 -8.199 6.374 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.463 -10.254 6.242 1.00 0.62 H new ATOM 1441 N VAL A 120 3.652 -2.213 4.142 1.00 0.33 N ATOM 1442 CA VAL A 120 2.892 -0.989 4.211 1.00 0.37 C ATOM 1443 C VAL A 120 1.641 -1.172 5.079 1.00 0.40 C ATOM 1444 O VAL A 120 1.010 -2.231 5.079 1.00 0.55 O ATOM 1445 CB VAL A 120 2.593 -0.533 2.996 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.624 -1.449 2.265 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.065 0.887 3.049 1.00 0.91 C ATOM 0 H VAL A 120 3.286 -2.917 3.501 1.00 0.33 H new ATOM 0 HA VAL A 120 3.514 -0.232 4.688 1.00 0.37 H new ATOM 0 HB VAL A 120 3.522 -0.523 2.426 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.408 -1.038 1.279 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.070 -2.438 2.156 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.698 -1.529 2.835 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.832 1.226 2.040 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.163 0.917 3.660 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.821 1.540 3.486 1.00 0.91 H new ATOM 1457 N PHE A 121 1.371 -0.172 5.907 1.00 0.39 N ATOM 1458 CA PHE A 121 0.264 -0.220 6.848 1.00 0.41 C ATOM 1459 C PHE A 121 -0.781 0.824 6.483 1.00 0.41 C ATOM 1460 O PHE A 121 -0.463 2.007 6.349 1.00 0.49 O ATOM 1461 CB PHE A 121 0.770 0.037 8.274 1.00 0.48 C ATOM 1462 CG PHE A 121 1.892 -0.872 8.703 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.212 -0.473 8.580 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.625 -2.126 9.231 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.242 -1.306 8.975 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.651 -2.961 9.626 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.967 -2.547 9.491 1.00 0.73 C ATOM 0 H PHE A 121 1.912 0.692 5.944 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.188 -1.211 6.801 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.107 1.071 8.347 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.062 -0.078 8.969 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.440 0.500 8.171 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.601 -2.454 9.335 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.267 -0.979 8.877 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.429 -3.934 10.039 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.774 -3.200 9.791 1.00 0.73 H new ATOM 1477 N VAL A 122 -2.018 0.383 6.311 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.111 1.284 5.986 1.00 0.51 C ATOM 1479 C VAL A 122 -4.073 1.384 7.165 1.00 0.54 C ATOM 1480 O VAL A 122 -4.706 0.396 7.549 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.775 0.883 4.908 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -4.866 1.887 4.544 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -2.837 0.667 3.732 1.00 1.16 C ATOM 0 H VAL A 122 -2.290 -0.597 6.392 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.678 2.262 5.775 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.245 -0.072 5.142 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.399 1.540 3.658 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.566 1.981 5.374 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.414 2.857 4.339 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -3.410 0.339 2.865 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.326 1.601 3.498 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.101 -0.094 3.989 1.00 1.16 H new ATOM 1493 N LYS A 123 -4.163 2.568 7.752 1.00 0.52 N ATOM 1494 CA LYS A 123 -5.071 2.798 8.866 1.00 0.66 C ATOM 1495 C LYS A 123 -5.742 4.156 8.715 1.00 0.55 C ATOM 1496 O LYS A 123 -5.070 5.165 8.490 1.00 0.51 O ATOM 1497 CB LYS A 123 -4.308 2.736 10.195 1.00 0.93 C ATOM 1498 CG LYS A 123 -5.198 2.772 11.428 1.00 1.36 C ATOM 1499 CD LYS A 123 -6.004 1.491 11.570 1.00 1.80 C ATOM 1500 CE LYS A 123 -6.892 1.522 12.805 1.00 2.62 C ATOM 1501 NZ LYS A 123 -7.635 0.247 12.991 1.00 3.31 N ATOM 0 H LYS A 123 -3.618 3.385 7.475 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.834 2.020 8.864 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -3.713 1.823 10.217 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.610 3.572 10.240 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -4.584 2.918 12.317 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -5.875 3.624 11.365 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -6.620 1.348 10.682 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -5.327 0.639 11.629 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -6.280 1.717 13.686 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -7.601 2.346 12.721 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -8.227 0.312 13.843 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -8.239 0.073 12.162 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -6.959 -0.536 13.098 1.00 3.31 H new ATOM 1515 N ARG A 124 -7.064 4.179 8.817 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.803 5.431 8.731 1.00 0.76 C ATOM 1517 C ARG A 124 -7.648 6.232 10.022 1.00 0.85 C ATOM 1518 O ARG A 124 -8.080 5.800 11.094 1.00 0.96 O ATOM 1519 CB ARG A 124 -9.293 5.188 8.425 1.00 1.03 C ATOM 1520 CG ARG A 124 -10.008 4.312 9.444 1.00 1.58 C ATOM 1521 CD ARG A 124 -11.520 4.377 9.290 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.984 3.799 8.029 1.00 2.55 N ATOM 1523 CZ ARG A 124 -13.253 3.844 7.612 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -14.180 4.450 8.347 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -13.597 3.273 6.465 1.00 4.03 N ATOM 0 H ARG A 124 -7.643 3.351 8.958 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.384 6.007 7.906 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.802 6.150 8.370 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.379 4.725 7.442 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.676 3.280 9.331 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.732 4.627 10.450 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.989 3.850 10.121 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.843 5.416 9.349 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.299 3.334 7.433 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.924 4.884 9.234 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -15.147 4.481 8.024 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -12.893 2.799 5.900 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -14.566 3.308 6.148 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.003 7.383 9.923 1.00 1.06 N ATOM 1540 CA VAL A 125 -6.840 8.263 11.068 1.00 1.33 C ATOM 1541 C VAL A 125 -7.531 9.597 10.816 1.00 2.00 C ATOM 1542 O VAL A 125 -7.210 10.266 9.813 1.00 2.87 O ATOM 1543 CB VAL A 125 -5.565 8.449 11.395 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.005 7.202 12.070 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -4.712 8.821 10.193 1.00 2.08 C ATOM 1546 OXT VAL A 125 -8.423 9.956 11.605 1.00 2.26 O ATOM 0 H VAL A 125 -6.583 7.730 9.060 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.313 7.770 11.918 1.00 1.33 H new ATOM 0 HB VAL A 125 -5.529 9.286 12.092 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -3.960 7.368 12.332 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -5.577 6.990 12.973 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.077 6.355 11.387 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -3.679 8.963 10.510 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -4.758 8.022 9.453 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -5.087 9.745 9.753 1.00 2.08 H new