USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 505 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 Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= -0.259 (180deg=-1.45!) USER MOD Single : A 96 GLN : amide:sc= -3.38! C(o=-3.4!,f=-5.8!) USER MOD Single : A 97 ASN : amide:sc= -3.23! C(o=-3.2!,f=-16!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00912 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.14) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.97) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 158:sc= -0.0499 (180deg=-0.569) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.0355 F(o=-1.6!,f=-0.035) USER MOD Single : A 137 ASN : amide:sc= -1.67! C(o=-1.7!,f=-17!) USER MOD Single : A 138 TYR OH : rot 165:sc= -3.13! USER MOD Single : A 143 LYS NZ :NH3+ -107:sc= -2.58 (180deg=-4.61!) USER MOD Single : A 144 MET CE :methyl 152:sc= -0.231 (180deg=-1.35!) USER MOD Single : A 145 MET CE :methyl 163:sc= -0.011 (180deg=-0.546) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 83 -15.587 -4.183 5.685 1.00 0.00 N ATOM 41 CA GLU A 83 -15.026 -4.424 7.004 1.00 0.00 C ATOM 42 C GLU A 83 -13.617 -4.976 6.849 1.00 0.00 C ATOM 43 O GLU A 83 -12.639 -4.313 7.190 1.00 0.00 O ATOM 44 CB GLU A 83 -15.898 -5.405 7.792 1.00 0.00 C ATOM 45 CG GLU A 83 -15.341 -5.556 9.210 1.00 0.00 C ATOM 46 CD GLU A 83 -16.242 -6.475 10.028 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.081 -7.130 9.432 1.00 0.00 O ATOM 48 OE2 GLU A 83 -16.081 -6.510 11.236 1.00 0.00 O ATOM 0 HA GLU A 83 -14.993 -3.486 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.926 -5.045 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.918 -6.373 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.331 -5.963 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.273 -4.579 9.689 1.00 0.00 H new ATOM 55 N GLU A 84 -13.519 -6.198 6.334 1.00 0.00 N ATOM 56 CA GLU A 84 -12.218 -6.826 6.143 1.00 0.00 C ATOM 57 C GLU A 84 -11.251 -5.846 5.489 1.00 0.00 C ATOM 58 O GLU A 84 -10.098 -5.736 5.907 1.00 0.00 O ATOM 59 CB GLU A 84 -12.360 -8.077 5.267 1.00 0.00 C ATOM 60 CG GLU A 84 -13.176 -9.130 6.019 1.00 0.00 C ATOM 61 CD GLU A 84 -13.395 -10.354 5.136 1.00 0.00 C ATOM 62 OE1 GLU A 84 -12.902 -10.353 4.022 1.00 0.00 O ATOM 63 OE2 GLU A 84 -14.058 -11.274 5.589 1.00 0.00 O ATOM 0 H GLU A 84 -14.315 -6.766 6.045 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.825 -7.116 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.850 -7.823 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.376 -8.473 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.656 -9.419 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.137 -8.711 6.318 1.00 0.00 H new ATOM 70 N LEU A 85 -11.718 -5.129 4.471 1.00 0.00 N ATOM 71 CA LEU A 85 -10.857 -4.166 3.793 1.00 0.00 C ATOM 72 C LEU A 85 -10.432 -3.065 4.762 1.00 0.00 C ATOM 73 O LEU A 85 -9.263 -2.678 4.800 1.00 0.00 O ATOM 74 CB LEU A 85 -11.579 -3.549 2.580 1.00 0.00 C ATOM 75 CG LEU A 85 -10.686 -2.479 1.918 1.00 0.00 C ATOM 76 CD1 LEU A 85 -9.332 -3.097 1.513 1.00 0.00 C ATOM 77 CD2 LEU A 85 -11.393 -1.917 0.677 1.00 0.00 C ATOM 0 H LEU A 85 -12.667 -5.193 4.103 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.970 -4.691 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.823 -4.328 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.521 -3.102 2.897 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.507 -1.673 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.709 -2.334 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.829 -3.484 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.500 -3.910 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.762 -1.161 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.579 -2.723 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.341 -1.467 0.971 1.00 0.00 H new ATOM 89 N LYS A 86 -11.385 -2.559 5.538 1.00 0.00 N ATOM 90 CA LYS A 86 -11.085 -1.497 6.488 1.00 0.00 C ATOM 91 C LYS A 86 -10.053 -1.977 7.502 1.00 0.00 C ATOM 92 O LYS A 86 -9.167 -1.221 7.905 1.00 0.00 O ATOM 93 CB LYS A 86 -12.363 -1.047 7.205 1.00 0.00 C ATOM 94 CG LYS A 86 -12.050 0.149 8.106 1.00 0.00 C ATOM 95 CD LYS A 86 -13.343 0.666 8.741 1.00 0.00 C ATOM 96 CE LYS A 86 -13.035 1.873 9.630 1.00 0.00 C ATOM 97 NZ LYS A 86 -14.306 2.412 10.193 1.00 0.00 N ATOM 0 H LYS A 86 -12.359 -2.863 5.528 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.674 -0.647 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.126 -0.776 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.767 -1.867 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.343 -0.143 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.576 0.941 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.054 0.947 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.810 -0.122 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.362 1.582 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.525 2.644 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.098 3.232 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.933 2.704 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.775 1.676 10.758 1.00 0.00 H new ATOM 111 N GLU A 87 -10.162 -3.241 7.902 1.00 0.00 N ATOM 112 CA GLU A 87 -9.222 -3.800 8.855 1.00 0.00 C ATOM 113 C GLU A 87 -7.836 -3.894 8.234 1.00 0.00 C ATOM 114 O GLU A 87 -6.855 -3.429 8.809 1.00 0.00 O ATOM 115 CB GLU A 87 -9.686 -5.190 9.279 1.00 0.00 C ATOM 116 CG GLU A 87 -11.031 -5.080 9.987 1.00 0.00 C ATOM 117 CD GLU A 87 -10.882 -4.324 11.305 1.00 0.00 C ATOM 118 OE1 GLU A 87 -9.766 -4.234 11.791 1.00 0.00 O ATOM 119 OE2 GLU A 87 -11.885 -3.842 11.806 1.00 0.00 O ATOM 0 H GLU A 87 -10.884 -3.887 7.583 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.176 -3.149 9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.773 -5.838 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.950 -5.645 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.746 -4.565 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.432 -6.076 10.176 1.00 0.00 H new ATOM 126 N ALA A 88 -7.760 -4.505 7.060 1.00 0.00 N ATOM 127 CA ALA A 88 -6.481 -4.656 6.390 1.00 0.00 C ATOM 128 C ALA A 88 -5.793 -3.301 6.274 1.00 0.00 C ATOM 129 O ALA A 88 -4.607 -3.171 6.571 1.00 0.00 O ATOM 130 CB ALA A 88 -6.667 -5.260 4.996 1.00 0.00 C ATOM 0 H ALA A 88 -8.557 -4.898 6.560 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.861 -5.330 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.696 -5.364 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.136 -6.240 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.302 -4.606 4.398 1.00 0.00 H new ATOM 136 N PHE A 89 -6.547 -2.290 5.850 1.00 0.00 N ATOM 137 CA PHE A 89 -5.993 -0.948 5.709 1.00 0.00 C ATOM 138 C PHE A 89 -5.396 -0.492 7.032 1.00 0.00 C ATOM 139 O PHE A 89 -4.292 0.049 7.074 1.00 0.00 O ATOM 140 CB PHE A 89 -7.093 0.027 5.279 1.00 0.00 C ATOM 141 CG PHE A 89 -6.508 1.406 5.086 1.00 0.00 C ATOM 142 CD1 PHE A 89 -5.973 1.772 3.847 1.00 0.00 C ATOM 143 CD2 PHE A 89 -6.515 2.322 6.143 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.442 3.050 3.664 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.980 3.602 5.960 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.444 3.964 4.720 1.00 0.00 C ATOM 0 H PHE A 89 -7.533 -2.373 5.601 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.211 -0.966 4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.553 -0.316 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.879 0.058 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.971 1.065 3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.933 2.042 7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.030 3.332 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.981 4.310 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.031 4.952 4.579 1.00 0.00 H new ATOM 156 N LYS A 90 -6.126 -0.722 8.115 1.00 0.00 N ATOM 157 CA LYS A 90 -5.646 -0.336 9.437 1.00 0.00 C ATOM 158 C LYS A 90 -4.336 -1.042 9.765 1.00 0.00 C ATOM 159 O LYS A 90 -3.466 -0.476 10.426 1.00 0.00 O ATOM 160 CB LYS A 90 -6.707 -0.672 10.496 1.00 0.00 C ATOM 161 CG LYS A 90 -7.838 0.380 10.454 1.00 0.00 C ATOM 162 CD LYS A 90 -7.483 1.586 11.352 1.00 0.00 C ATOM 163 CE LYS A 90 -7.922 1.307 12.793 1.00 0.00 C ATOM 164 NZ LYS A 90 -7.573 2.471 13.647 1.00 0.00 N ATOM 0 H LYS A 90 -7.043 -1.169 8.107 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.464 0.739 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.115 -1.666 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.252 -0.692 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.994 0.715 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.773 -0.068 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.410 1.772 11.319 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.974 2.485 10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.996 1.124 12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.433 0.408 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.870 2.285 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.545 2.625 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.060 3.319 13.293 1.00 0.00 H new ATOM 178 N VAL A 91 -4.195 -2.272 9.293 1.00 0.00 N ATOM 179 CA VAL A 91 -2.975 -3.033 9.535 1.00 0.00 C ATOM 180 C VAL A 91 -1.798 -2.429 8.768 1.00 0.00 C ATOM 181 O VAL A 91 -0.693 -2.320 9.297 1.00 0.00 O ATOM 182 CB VAL A 91 -3.171 -4.499 9.145 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.842 -5.246 9.288 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.208 -5.126 10.078 1.00 0.00 C ATOM 0 H VAL A 91 -4.902 -2.762 8.745 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.750 -2.985 10.600 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.514 -4.564 8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.980 -6.291 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.097 -4.792 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.501 -5.187 10.322 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.355 -6.172 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.856 -5.063 11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.153 -4.591 9.984 1.00 0.00 H new ATOM 194 N PHE A 92 -2.043 -2.049 7.517 1.00 0.00 N ATOM 195 CA PHE A 92 -0.991 -1.465 6.686 1.00 0.00 C ATOM 196 C PHE A 92 -0.479 -0.172 7.302 1.00 0.00 C ATOM 197 O PHE A 92 0.705 0.149 7.195 1.00 0.00 O ATOM 198 CB PHE A 92 -1.515 -1.170 5.264 1.00 0.00 C ATOM 199 CG PHE A 92 -1.441 -2.415 4.404 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.978 -3.623 4.868 1.00 0.00 C ATOM 201 CD2 PHE A 92 -0.836 -2.358 3.141 1.00 0.00 C ATOM 202 CE1 PHE A 92 -1.909 -4.771 4.073 1.00 0.00 C ATOM 203 CE2 PHE A 92 -0.769 -3.505 2.347 1.00 0.00 C ATOM 204 CZ PHE A 92 -1.306 -4.712 2.813 1.00 0.00 C ATOM 0 H PHE A 92 -2.950 -2.133 7.059 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.177 -2.188 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.545 -0.817 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.926 -0.372 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.446 -3.667 5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.422 -1.427 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.321 -5.703 4.432 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.303 -3.461 1.374 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.254 -5.598 2.198 1.00 0.00 H new ATOM 214 N ASP A 93 -1.376 0.576 7.922 1.00 0.00 N ATOM 215 CA ASP A 93 -0.993 1.840 8.522 1.00 0.00 C ATOM 216 C ASP A 93 -0.159 1.613 9.784 1.00 0.00 C ATOM 217 O ASP A 93 -0.628 1.820 10.902 1.00 0.00 O ATOM 218 CB ASP A 93 -2.252 2.647 8.851 1.00 0.00 C ATOM 219 CG ASP A 93 -1.930 4.137 8.853 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.868 4.502 9.337 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.743 4.887 8.349 1.00 0.00 O ATOM 0 H ASP A 93 -2.362 0.333 8.022 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.381 2.398 7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.031 2.436 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.641 2.349 9.825 1.00 0.00 H new ATOM 226 N LYS A 94 1.078 1.178 9.598 1.00 0.00 N ATOM 227 CA LYS A 94 1.942 0.920 10.742 1.00 0.00 C ATOM 228 C LYS A 94 1.958 2.123 11.678 1.00 0.00 C ATOM 229 O LYS A 94 1.793 1.975 12.889 1.00 0.00 O ATOM 230 CB LYS A 94 3.366 0.627 10.283 1.00 0.00 C ATOM 231 CG LYS A 94 3.418 -0.738 9.592 1.00 0.00 C ATOM 232 CD LYS A 94 4.855 -1.032 9.113 1.00 0.00 C ATOM 233 CE LYS A 94 5.676 -1.644 10.254 1.00 0.00 C ATOM 234 NZ LYS A 94 5.022 -2.904 10.705 1.00 0.00 N ATOM 0 H LYS A 94 1.500 0.999 8.687 1.00 0.00 H new ATOM 0 HA LYS A 94 1.548 0.052 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.704 1.405 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.043 0.638 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.089 -1.516 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.733 -0.752 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.831 -1.716 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.327 -0.112 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.693 -1.848 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.749 -0.941 11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.749 -3.586 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.392 -2.700 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.467 -3.306 9.923 1.00 0.00 H new ATOM 248 N ASP A 95 2.161 3.310 11.119 1.00 0.00 N ATOM 249 CA ASP A 95 2.197 4.527 11.928 1.00 0.00 C ATOM 250 C ASP A 95 0.784 4.984 12.268 1.00 0.00 C ATOM 251 O ASP A 95 0.594 5.987 12.955 1.00 0.00 O ATOM 252 CB ASP A 95 2.915 5.642 11.168 1.00 0.00 C ATOM 253 CG ASP A 95 2.205 5.909 9.849 1.00 0.00 C ATOM 254 OD1 ASP A 95 0.986 5.959 9.857 1.00 0.00 O ATOM 255 OD2 ASP A 95 2.889 6.066 8.852 1.00 0.00 O ATOM 0 H ASP A 95 2.302 3.458 10.120 1.00 0.00 H new ATOM 0 HA ASP A 95 2.735 4.308 12.850 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.935 6.550 11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.951 5.359 10.983 1.00 0.00 H new ATOM 260 N GLN A 96 -0.203 4.241 11.786 1.00 0.00 N ATOM 261 CA GLN A 96 -1.596 4.584 12.051 1.00 0.00 C ATOM 262 C GLN A 96 -1.859 6.052 11.721 1.00 0.00 C ATOM 263 O GLN A 96 -2.605 6.725 12.430 1.00 0.00 O ATOM 264 CB GLN A 96 -1.921 4.311 13.538 1.00 0.00 C ATOM 265 CG GLN A 96 -3.373 3.845 13.689 1.00 0.00 C ATOM 266 CD GLN A 96 -4.322 4.905 13.136 1.00 0.00 C ATOM 267 OE1 GLN A 96 -4.481 5.025 11.919 1.00 0.00 O ATOM 268 NE2 GLN A 96 -4.961 5.689 13.959 1.00 0.00 N ATOM 0 H GLN A 96 -0.069 3.406 11.216 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.237 3.969 11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.246 3.551 13.931 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.759 5.215 14.124 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.518 2.903 13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.596 3.658 14.739 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.829 5.589 14.965 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.593 6.403 13.596 1.00 0.00 H new ATOM 277 N ASN A 97 -1.240 6.548 10.655 1.00 0.00 N ATOM 278 CA ASN A 97 -1.417 7.948 10.271 1.00 0.00 C ATOM 279 C ASN A 97 -2.664 8.133 9.411 1.00 0.00 C ATOM 280 O ASN A 97 -3.002 9.255 9.033 1.00 0.00 O ATOM 281 CB ASN A 97 -0.195 8.434 9.496 1.00 0.00 C ATOM 282 CG ASN A 97 -0.084 7.673 8.181 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.891 6.783 7.908 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.870 7.971 7.344 1.00 0.00 N ATOM 0 H ASN A 97 -0.620 6.013 10.048 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.535 8.532 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.277 9.504 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.707 8.286 10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.949 7.467 6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.537 8.708 7.572 1.00 0.00 H new ATOM 291 N GLY A 98 -3.341 7.033 9.106 1.00 0.00 N ATOM 292 CA GLY A 98 -4.555 7.081 8.287 1.00 0.00 C ATOM 293 C GLY A 98 -4.236 6.928 6.798 1.00 0.00 C ATOM 294 O GLY A 98 -5.139 6.865 5.965 1.00 0.00 O ATOM 0 H GLY A 98 -3.074 6.097 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.236 6.288 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.070 8.027 8.454 1.00 0.00 H new ATOM 298 N TYR A 99 -2.948 6.873 6.468 1.00 0.00 N ATOM 299 CA TYR A 99 -2.506 6.731 5.076 1.00 0.00 C ATOM 300 C TYR A 99 -1.519 5.578 4.973 1.00 0.00 C ATOM 301 O TYR A 99 -1.103 5.039 5.988 1.00 0.00 O ATOM 302 CB TYR A 99 -1.820 8.025 4.621 1.00 0.00 C ATOM 303 CG TYR A 99 -2.872 9.056 4.304 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.582 9.670 5.339 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.145 9.387 2.974 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.566 10.617 5.043 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.127 10.335 2.678 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.839 10.951 3.712 1.00 0.00 C ATOM 309 OH TYR A 99 -5.811 11.887 3.419 1.00 0.00 O ATOM 0 H TYR A 99 -2.187 6.924 7.145 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.370 6.533 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.156 8.394 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.203 7.835 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.371 9.413 6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.597 8.910 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.116 11.091 5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.337 10.592 1.650 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.872 12.002 2.448 1.00 0.00 H new ATOM 319 N ILE A 100 -1.137 5.208 3.747 1.00 0.00 N ATOM 320 CA ILE A 100 -0.167 4.124 3.545 1.00 0.00 C ATOM 321 C ILE A 100 1.042 4.679 2.793 1.00 0.00 C ATOM 322 O ILE A 100 0.895 5.350 1.767 1.00 0.00 O ATOM 323 CB ILE A 100 -0.780 2.962 2.756 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.098 2.517 3.417 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.209 1.787 2.752 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.631 1.270 2.707 1.00 0.00 C ATOM 0 H ILE A 100 -1.479 5.637 2.887 1.00 0.00 H new ATOM 0 HA ILE A 100 0.135 3.740 4.519 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.984 3.283 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.934 2.304 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.833 3.320 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.218 0.954 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.142 2.099 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.405 1.473 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.564 0.955 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.811 1.498 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.898 0.467 2.783 1.00 0.00 H new ATOM 338 N SER A 101 2.236 4.398 3.318 1.00 0.00 N ATOM 339 CA SER A 101 3.480 4.878 2.700 1.00 0.00 C ATOM 340 C SER A 101 4.220 3.730 2.024 1.00 0.00 C ATOM 341 O SER A 101 4.049 2.568 2.391 1.00 0.00 O ATOM 342 CB SER A 101 4.383 5.505 3.763 1.00 0.00 C ATOM 343 OG SER A 101 5.566 5.996 3.143 1.00 0.00 O ATOM 0 H SER A 101 2.371 3.844 4.164 1.00 0.00 H new ATOM 0 HA SER A 101 3.224 5.626 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.860 6.316 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.637 4.766 4.523 1.00 0.00 H new ATOM 0 HG SER A 101 6.147 6.400 3.821 1.00 0.00 H new ATOM 349 N ALA A 102 5.036 4.060 1.027 1.00 0.00 N ATOM 350 CA ALA A 102 5.784 3.034 0.312 1.00 0.00 C ATOM 351 C ALA A 102 6.544 2.163 1.307 1.00 0.00 C ATOM 352 O ALA A 102 6.617 0.945 1.143 1.00 0.00 O ATOM 353 CB ALA A 102 6.761 3.671 -0.683 1.00 0.00 C ATOM 0 H ALA A 102 5.194 5.013 0.701 1.00 0.00 H new ATOM 0 HA ALA A 102 5.081 2.415 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.310 2.888 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.206 4.270 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.463 4.309 -0.146 1.00 0.00 H new ATOM 359 N SER A 103 7.098 2.791 2.342 1.00 0.00 N ATOM 360 CA SER A 103 7.841 2.053 3.358 1.00 0.00 C ATOM 361 C SER A 103 6.927 1.034 4.043 1.00 0.00 C ATOM 362 O SER A 103 7.319 -0.103 4.290 1.00 0.00 O ATOM 363 CB SER A 103 8.429 3.014 4.392 1.00 0.00 C ATOM 364 OG SER A 103 9.180 2.274 5.346 1.00 0.00 O ATOM 0 H SER A 103 7.047 3.798 2.498 1.00 0.00 H new ATOM 0 HA SER A 103 8.660 1.521 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.067 3.749 3.901 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.631 3.565 4.889 1.00 0.00 H new ATOM 0 HG SER A 103 9.560 2.887 6.010 1.00 0.00 H new ATOM 370 N GLU A 104 5.709 1.441 4.364 1.00 0.00 N ATOM 371 CA GLU A 104 4.780 0.540 5.000 1.00 0.00 C ATOM 372 C GLU A 104 4.298 -0.524 4.011 1.00 0.00 C ATOM 373 O GLU A 104 4.187 -1.697 4.360 1.00 0.00 O ATOM 374 CB GLU A 104 3.591 1.329 5.529 1.00 0.00 C ATOM 375 CG GLU A 104 4.041 2.221 6.685 1.00 0.00 C ATOM 376 CD GLU A 104 2.825 2.863 7.336 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.728 2.592 6.878 1.00 0.00 O ATOM 378 OE2 GLU A 104 3.006 3.618 8.277 1.00 0.00 O ATOM 0 H GLU A 104 5.350 2.380 4.194 1.00 0.00 H new ATOM 0 HA GLU A 104 5.285 0.039 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.162 1.937 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.810 0.647 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.591 1.632 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.720 2.991 6.320 1.00 0.00 H new ATOM 385 N LEU A 105 4.015 -0.106 2.776 1.00 0.00 N ATOM 386 CA LEU A 105 3.552 -1.041 1.742 1.00 0.00 C ATOM 387 C LEU A 105 4.635 -2.052 1.378 1.00 0.00 C ATOM 388 O LEU A 105 4.370 -3.245 1.273 1.00 0.00 O ATOM 389 CB LEU A 105 3.120 -0.271 0.483 1.00 0.00 C ATOM 390 CG LEU A 105 2.713 -1.253 -0.635 1.00 0.00 C ATOM 391 CD1 LEU A 105 1.609 -2.196 -0.139 1.00 0.00 C ATOM 392 CD2 LEU A 105 2.192 -0.459 -1.834 1.00 0.00 C ATOM 0 H LEU A 105 4.096 0.863 2.467 1.00 0.00 H new ATOM 0 HA LEU A 105 2.699 -1.585 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.284 0.387 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.937 0.363 0.139 1.00 0.00 H new ATOM 0 HG LEU A 105 3.582 -1.844 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.332 -2.883 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.973 -2.763 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.737 -1.612 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.903 -1.147 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.327 0.131 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.975 0.206 -2.198 1.00 0.00 H new ATOM 404 N ARG A 106 5.849 -1.562 1.193 1.00 0.00 N ATOM 405 CA ARG A 106 6.960 -2.443 0.842 1.00 0.00 C ATOM 406 C ARG A 106 7.248 -3.415 1.990 1.00 0.00 C ATOM 407 O ARG A 106 7.413 -4.616 1.775 1.00 0.00 O ATOM 408 CB ARG A 106 8.214 -1.618 0.490 1.00 0.00 C ATOM 409 CG ARG A 106 8.941 -1.181 1.765 1.00 0.00 C ATOM 410 CD ARG A 106 10.046 -0.195 1.428 1.00 0.00 C ATOM 411 NE ARG A 106 11.080 -0.854 0.656 1.00 0.00 N ATOM 412 CZ ARG A 106 12.145 -0.186 0.255 1.00 0.00 C ATOM 413 NH1 ARG A 106 12.272 1.075 0.570 1.00 0.00 N ATOM 414 NH2 ARG A 106 13.067 -0.783 -0.443 1.00 0.00 N ATOM 0 H ARG A 106 6.093 -0.575 1.277 1.00 0.00 H new ATOM 0 HA ARG A 106 6.682 -3.024 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.884 -2.211 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.929 -0.742 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.234 -0.723 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.362 -2.051 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.637 0.643 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.471 0.215 2.344 1.00 0.00 H new ATOM 0 HE ARG A 106 10.984 -1.842 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.550 1.538 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.093 1.597 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.967 -1.770 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.889 -0.264 -0.752 1.00 0.00 H new ATOM 428 N HIS A 107 7.315 -2.882 3.208 1.00 0.00 N ATOM 429 CA HIS A 107 7.593 -3.713 4.371 1.00 0.00 C ATOM 430 C HIS A 107 6.551 -4.811 4.476 1.00 0.00 C ATOM 431 O HIS A 107 6.880 -5.971 4.725 1.00 0.00 O ATOM 432 CB HIS A 107 7.598 -2.860 5.646 1.00 0.00 C ATOM 433 CG HIS A 107 8.003 -3.713 6.816 1.00 0.00 C ATOM 434 ND1 HIS A 107 7.275 -3.743 7.995 1.00 0.00 N ATOM 435 CD2 HIS A 107 9.056 -4.573 7.002 1.00 0.00 C ATOM 436 CE1 HIS A 107 7.894 -4.598 8.831 1.00 0.00 C ATOM 437 NE2 HIS A 107 8.984 -5.131 8.275 1.00 0.00 N ATOM 0 H HIS A 107 7.182 -1.891 3.411 1.00 0.00 H new ATOM 0 HA HIS A 107 8.577 -4.167 4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.289 -2.024 5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.609 -2.435 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.823 -4.785 6.272 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.550 -4.825 9.829 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.627 -5.803 8.693 1.00 0.00 H new ATOM 446 N VAL A 108 5.296 -4.443 4.261 1.00 0.00 N ATOM 447 CA VAL A 108 4.215 -5.414 4.310 1.00 0.00 C ATOM 448 C VAL A 108 4.369 -6.424 3.175 1.00 0.00 C ATOM 449 O VAL A 108 4.196 -7.629 3.375 1.00 0.00 O ATOM 450 CB VAL A 108 2.858 -4.706 4.212 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.746 -5.750 4.063 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.615 -3.886 5.488 1.00 0.00 C ATOM 0 H VAL A 108 5.004 -3.488 4.053 1.00 0.00 H new ATOM 0 HA VAL A 108 4.261 -5.944 5.262 1.00 0.00 H new ATOM 0 HB VAL A 108 2.857 -4.044 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.782 -5.247 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.916 -6.336 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.749 -6.411 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.651 -3.383 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.617 -4.550 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.405 -3.143 5.599 1.00 0.00 H new ATOM 462 N MET A 109 4.699 -5.933 1.985 1.00 0.00 N ATOM 463 CA MET A 109 4.866 -6.814 0.838 1.00 0.00 C ATOM 464 C MET A 109 5.979 -7.821 1.105 1.00 0.00 C ATOM 465 O MET A 109 5.854 -8.997 0.761 1.00 0.00 O ATOM 466 CB MET A 109 5.192 -5.989 -0.414 1.00 0.00 C ATOM 467 CG MET A 109 3.921 -5.320 -0.942 1.00 0.00 C ATOM 468 SD MET A 109 2.806 -6.578 -1.622 1.00 0.00 S ATOM 469 CE MET A 109 2.429 -5.754 -3.189 1.00 0.00 C ATOM 0 H MET A 109 4.854 -4.943 1.792 1.00 0.00 H new ATOM 0 HA MET A 109 3.935 -7.356 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.940 -5.233 -0.177 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.621 -6.632 -1.182 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.424 -4.776 -0.139 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.175 -4.591 -1.711 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.745 -6.373 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.965 -4.788 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.350 -5.604 -3.752 1.00 0.00 H new ATOM 479 N ILE A 110 7.056 -7.367 1.736 1.00 0.00 N ATOM 480 CA ILE A 110 8.164 -8.259 2.053 1.00 0.00 C ATOM 481 C ILE A 110 7.710 -9.314 3.059 1.00 0.00 C ATOM 482 O ILE A 110 8.016 -10.497 2.912 1.00 0.00 O ATOM 483 CB ILE A 110 9.345 -7.465 2.617 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.922 -6.574 1.513 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.431 -8.431 3.108 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.887 -5.560 2.130 1.00 0.00 C ATOM 0 H ILE A 110 7.185 -6.400 2.035 1.00 0.00 H new ATOM 0 HA ILE A 110 8.487 -8.756 1.138 1.00 0.00 H new ATOM 0 HB ILE A 110 9.006 -6.851 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.441 -7.183 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.117 -6.056 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.270 -7.862 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.022 -9.072 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.774 -9.046 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.298 -4.925 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.353 -4.943 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.698 -6.088 2.632 1.00 0.00 H new ATOM 498 N ASN A 111 6.974 -8.874 4.076 1.00 0.00 N ATOM 499 CA ASN A 111 6.478 -9.789 5.096 1.00 0.00 C ATOM 500 C ASN A 111 5.582 -10.839 4.459 1.00 0.00 C ATOM 501 O ASN A 111 5.444 -11.948 4.975 1.00 0.00 O ATOM 502 CB ASN A 111 5.710 -9.019 6.179 1.00 0.00 C ATOM 503 CG ASN A 111 4.971 -9.989 7.100 1.00 0.00 C ATOM 504 OD1 ASN A 111 5.518 -11.029 7.473 1.00 0.00 O ATOM 505 ND2 ASN A 111 3.757 -9.715 7.491 1.00 0.00 N ATOM 0 H ASN A 111 6.710 -7.898 4.214 1.00 0.00 H new ATOM 0 HA ASN A 111 7.327 -10.286 5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.402 -8.410 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.999 -8.336 5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.261 -10.361 8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.304 -8.855 7.183 1.00 0.00 H new ATOM 512 N LEU A 112 4.973 -10.482 3.334 1.00 0.00 N ATOM 513 CA LEU A 112 4.086 -11.404 2.624 1.00 0.00 C ATOM 514 C LEU A 112 4.869 -12.279 1.650 1.00 0.00 C ATOM 515 O LEU A 112 4.293 -13.110 0.947 1.00 0.00 O ATOM 516 CB LEU A 112 2.998 -10.626 1.862 1.00 0.00 C ATOM 517 CG LEU A 112 1.733 -10.456 2.723 1.00 0.00 C ATOM 518 CD1 LEU A 112 2.007 -9.500 3.884 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.604 -9.896 1.856 1.00 0.00 C ATOM 0 H LEU A 112 5.074 -9.567 2.894 1.00 0.00 H new ATOM 0 HA LEU A 112 3.614 -12.047 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.381 -9.647 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.747 -11.153 0.941 1.00 0.00 H new ATOM 0 HG LEU A 112 1.444 -11.426 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.104 -9.389 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.808 -9.901 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.304 -8.527 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.294 -9.774 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.902 -8.929 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.398 -10.585 1.037 1.00 0.00 H new ATOM 531 N GLY A 113 6.171 -12.088 1.614 1.00 0.00 N ATOM 532 CA GLY A 113 7.027 -12.866 0.724 1.00 0.00 C ATOM 533 C GLY A 113 7.074 -12.244 -0.666 1.00 0.00 C ATOM 534 O GLY A 113 7.597 -12.841 -1.607 1.00 0.00 O ATOM 0 H GLY A 113 6.665 -11.404 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.034 -12.920 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.655 -13.888 0.657 1.00 0.00 H new ATOM 538 N GLU A 114 6.529 -11.033 -0.786 1.00 0.00 N ATOM 539 CA GLU A 114 6.512 -10.315 -2.063 1.00 0.00 C ATOM 540 C GLU A 114 7.433 -9.100 -1.987 1.00 0.00 C ATOM 541 O GLU A 114 7.282 -8.252 -1.112 1.00 0.00 O ATOM 542 CB GLU A 114 5.090 -9.840 -2.377 1.00 0.00 C ATOM 543 CG GLU A 114 4.181 -11.043 -2.634 1.00 0.00 C ATOM 544 CD GLU A 114 2.743 -10.570 -2.833 1.00 0.00 C ATOM 545 OE1 GLU A 114 2.522 -9.372 -2.775 1.00 0.00 O ATOM 546 OE2 GLU A 114 1.885 -11.412 -3.040 1.00 0.00 O ATOM 0 H GLU A 114 6.093 -10.528 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 114 6.855 -10.989 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.702 -9.252 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.100 -9.188 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.521 -11.585 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.233 -11.736 -1.794 1.00 0.00 H new ATOM 553 N LYS A 115 8.395 -9.027 -2.902 1.00 0.00 N ATOM 554 CA LYS A 115 9.348 -7.915 -2.926 1.00 0.00 C ATOM 555 C LYS A 115 9.556 -7.424 -4.357 1.00 0.00 C ATOM 556 O LYS A 115 10.120 -8.126 -5.192 1.00 0.00 O ATOM 557 CB LYS A 115 10.690 -8.368 -2.334 1.00 0.00 C ATOM 558 CG LYS A 115 11.075 -9.750 -2.891 1.00 0.00 C ATOM 559 CD LYS A 115 12.302 -10.284 -2.155 1.00 0.00 C ATOM 560 CE LYS A 115 13.538 -9.456 -2.515 1.00 0.00 C ATOM 561 NZ LYS A 115 14.760 -10.198 -2.110 1.00 0.00 N ATOM 0 H LYS A 115 8.538 -9.721 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 115 8.946 -7.097 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.466 -7.641 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.620 -8.412 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.241 -10.443 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.284 -9.676 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.133 -10.249 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.466 -11.329 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.557 -9.257 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.502 -8.490 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.602 -9.639 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.740 -10.366 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.794 -11.110 -2.609 1.00 0.00 H new ATOM 575 N LEU A 116 9.097 -6.208 -4.636 1.00 0.00 N ATOM 576 CA LEU A 116 9.238 -5.630 -5.974 1.00 0.00 C ATOM 577 C LEU A 116 10.405 -4.645 -5.982 1.00 0.00 C ATOM 578 O LEU A 116 10.799 -4.140 -4.932 1.00 0.00 O ATOM 579 CB LEU A 116 7.947 -4.904 -6.366 1.00 0.00 C ATOM 580 CG LEU A 116 6.736 -5.794 -6.056 1.00 0.00 C ATOM 581 CD1 LEU A 116 5.450 -5.057 -6.433 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.828 -7.100 -6.856 1.00 0.00 C ATOM 0 H LEU A 116 8.627 -5.605 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 116 9.430 -6.427 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.868 -3.964 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 116 7.966 -4.657 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 116 6.727 -6.025 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.590 -5.690 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.378 -4.134 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.464 -4.822 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.965 -7.726 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.843 -6.873 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.741 -7.629 -6.585 1.00 0.00 H new ATOM 594 N THR A 117 10.967 -4.379 -7.161 1.00 0.00 N ATOM 595 CA THR A 117 12.088 -3.459 -7.250 1.00 0.00 C ATOM 596 C THR A 117 11.627 -2.068 -6.829 1.00 0.00 C ATOM 597 O THR A 117 10.429 -1.793 -6.783 1.00 0.00 O ATOM 598 CB THR A 117 12.621 -3.422 -8.687 1.00 0.00 C ATOM 599 OG1 THR A 117 12.776 -4.749 -9.172 1.00 0.00 O ATOM 600 CG2 THR A 117 13.971 -2.715 -8.716 1.00 0.00 C ATOM 0 H THR A 117 10.668 -4.781 -8.049 1.00 0.00 H new ATOM 0 HA THR A 117 12.888 -3.793 -6.589 1.00 0.00 H new ATOM 0 HB THR A 117 11.914 -2.882 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.115 -4.724 -10.091 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.347 -2.690 -9.739 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.856 -1.696 -8.347 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.677 -3.252 -8.083 1.00 0.00 H new ATOM 608 N ASP A 118 12.574 -1.192 -6.513 1.00 0.00 N ATOM 609 CA ASP A 118 12.227 0.157 -6.087 1.00 0.00 C ATOM 610 C ASP A 118 11.476 0.881 -7.197 1.00 0.00 C ATOM 611 O ASP A 118 10.520 1.610 -6.936 1.00 0.00 O ATOM 612 CB ASP A 118 13.487 0.941 -5.707 1.00 0.00 C ATOM 613 CG ASP A 118 14.033 0.442 -4.371 1.00 0.00 C ATOM 614 OD1 ASP A 118 13.316 -0.273 -3.689 1.00 0.00 O ATOM 615 OD2 ASP A 118 15.159 0.781 -4.049 1.00 0.00 O ATOM 0 H ASP A 118 13.575 -1.388 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 118 11.583 0.088 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.244 0.827 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.257 2.004 -5.640 1.00 0.00 H new ATOM 620 N GLU A 119 11.903 0.671 -8.434 1.00 0.00 N ATOM 621 CA GLU A 119 11.247 1.312 -9.569 1.00 0.00 C ATOM 622 C GLU A 119 9.819 0.801 -9.718 1.00 0.00 C ATOM 623 O GLU A 119 8.929 1.536 -10.142 1.00 0.00 O ATOM 624 CB GLU A 119 12.030 1.043 -10.858 1.00 0.00 C ATOM 625 CG GLU A 119 13.368 1.784 -10.800 1.00 0.00 C ATOM 626 CD GLU A 119 14.196 1.468 -12.041 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.693 0.764 -12.901 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.321 1.934 -12.113 1.00 0.00 O ATOM 0 H GLU A 119 12.690 0.070 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 119 11.220 2.386 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.199 -0.027 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.455 1.374 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.195 2.858 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.916 1.492 -9.904 1.00 0.00 H new ATOM 635 N GLU A 120 9.596 -0.453 -9.346 1.00 0.00 N ATOM 636 CA GLU A 120 8.254 -1.028 -9.430 1.00 0.00 C ATOM 637 C GLU A 120 7.342 -0.397 -8.385 1.00 0.00 C ATOM 638 O GLU A 120 6.221 0.008 -8.691 1.00 0.00 O ATOM 639 CB GLU A 120 8.317 -2.540 -9.219 1.00 0.00 C ATOM 640 CG GLU A 120 9.012 -3.194 -10.417 1.00 0.00 C ATOM 641 CD GLU A 120 9.211 -4.684 -10.165 1.00 0.00 C ATOM 642 OE1 GLU A 120 9.617 -5.030 -9.069 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.950 -5.457 -11.073 1.00 0.00 O ATOM 0 H GLU A 120 10.312 -1.085 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 120 7.849 -0.823 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.860 -2.768 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.311 -2.944 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.415 -3.047 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.976 -2.716 -10.592 1.00 0.00 H new ATOM 650 N VAL A 121 7.832 -0.308 -7.150 1.00 0.00 N ATOM 651 CA VAL A 121 7.044 0.288 -6.079 1.00 0.00 C ATOM 652 C VAL A 121 6.793 1.763 -6.375 1.00 0.00 C ATOM 653 O VAL A 121 5.674 2.246 -6.240 1.00 0.00 O ATOM 654 CB VAL A 121 7.772 0.140 -4.737 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.014 0.910 -3.650 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.840 -1.343 -4.353 1.00 0.00 C ATOM 0 H VAL A 121 8.757 -0.636 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 121 6.087 -0.231 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 121 8.781 0.542 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.534 0.803 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.964 1.965 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.004 0.511 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.357 -1.449 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.830 -1.742 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.381 -1.894 -5.122 1.00 0.00 H new ATOM 666 N GLU A 122 7.837 2.474 -6.785 1.00 0.00 N ATOM 667 CA GLU A 122 7.699 3.893 -7.093 1.00 0.00 C ATOM 668 C GLU A 122 6.637 4.092 -8.169 1.00 0.00 C ATOM 669 O GLU A 122 5.862 5.049 -8.120 1.00 0.00 O ATOM 670 CB GLU A 122 9.039 4.462 -7.569 1.00 0.00 C ATOM 671 CG GLU A 122 8.979 5.992 -7.554 1.00 0.00 C ATOM 672 CD GLU A 122 8.986 6.498 -6.114 1.00 0.00 C ATOM 673 OE1 GLU A 122 9.165 5.686 -5.221 1.00 0.00 O ATOM 674 OE2 GLU A 122 8.815 7.692 -5.926 1.00 0.00 O ATOM 0 H GLU A 122 8.777 2.098 -6.911 1.00 0.00 H new ATOM 0 HA GLU A 122 7.393 4.421 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.844 4.113 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.260 4.106 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.830 6.403 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.079 6.334 -8.065 1.00 0.00 H new ATOM 681 N GLN A 123 6.593 3.175 -9.132 1.00 0.00 N ATOM 682 CA GLN A 123 5.603 3.259 -10.197 1.00 0.00 C ATOM 683 C GLN A 123 4.208 2.937 -9.663 1.00 0.00 C ATOM 684 O GLN A 123 3.232 3.584 -10.036 1.00 0.00 O ATOM 685 CB GLN A 123 5.962 2.301 -11.341 1.00 0.00 C ATOM 686 CG GLN A 123 7.098 2.900 -12.174 1.00 0.00 C ATOM 687 CD GLN A 123 7.527 1.914 -13.256 1.00 0.00 C ATOM 688 OE1 GLN A 123 7.132 0.673 -13.184 1.00 0.00 O flip ATOM 689 NE2 GLN A 123 8.244 2.283 -14.187 1.00 0.00 N flip ATOM 0 H GLN A 123 7.223 2.376 -9.196 1.00 0.00 H new ATOM 0 HA GLN A 123 5.602 4.279 -10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.263 1.334 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.089 2.126 -11.970 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.772 3.834 -12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.945 3.138 -11.531 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.551 3.254 -14.240 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.531 1.617 -14.905 1.00 0.00 H new ATOM 698 N MET A 124 4.115 1.935 -8.794 1.00 0.00 N ATOM 699 CA MET A 124 2.835 1.547 -8.234 1.00 0.00 C ATOM 700 C MET A 124 2.237 2.695 -7.425 1.00 0.00 C ATOM 701 O MET A 124 1.059 3.020 -7.569 1.00 0.00 O ATOM 702 CB MET A 124 3.022 0.314 -7.346 1.00 0.00 C ATOM 703 CG MET A 124 1.665 -0.148 -6.831 1.00 0.00 C ATOM 704 SD MET A 124 1.873 -1.633 -5.813 1.00 0.00 S ATOM 705 CE MET A 124 1.517 -2.858 -7.097 1.00 0.00 C ATOM 0 H MET A 124 4.908 1.383 -8.467 1.00 0.00 H new ATOM 0 HA MET A 124 2.148 1.307 -9.045 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.501 -0.486 -7.911 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.680 0.551 -6.510 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.198 0.644 -6.245 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.000 -0.359 -7.668 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.592 -3.860 -6.675 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.509 -2.700 -7.481 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.236 -2.752 -7.910 1.00 0.00 H new ATOM 715 N ILE A 125 3.056 3.312 -6.580 1.00 0.00 N ATOM 716 CA ILE A 125 2.589 4.426 -5.762 1.00 0.00 C ATOM 717 C ILE A 125 2.166 5.578 -6.662 1.00 0.00 C ATOM 718 O ILE A 125 1.087 6.149 -6.502 1.00 0.00 O ATOM 719 CB ILE A 125 3.709 4.883 -4.811 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.194 3.695 -3.942 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.202 6.021 -3.923 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.259 3.445 -2.749 1.00 0.00 C ATOM 0 H ILE A 125 4.036 3.064 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 125 1.733 4.103 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 125 4.551 5.244 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.251 2.795 -4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.202 3.897 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.999 6.341 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.894 6.860 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.351 5.674 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.632 2.605 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.223 4.336 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.257 3.217 -3.113 1.00 0.00 H new ATOM 734 N LYS A 126 3.024 5.902 -7.608 1.00 0.00 N ATOM 735 CA LYS A 126 2.742 6.981 -8.544 1.00 0.00 C ATOM 736 C LYS A 126 1.541 6.646 -9.415 1.00 0.00 C ATOM 737 O LYS A 126 0.678 7.490 -9.652 1.00 0.00 O ATOM 738 CB LYS A 126 3.958 7.230 -9.420 1.00 0.00 C ATOM 739 CG LYS A 126 5.130 7.748 -8.565 1.00 0.00 C ATOM 740 CD LYS A 126 5.006 9.266 -8.344 1.00 0.00 C ATOM 741 CE LYS A 126 6.213 9.768 -7.557 1.00 0.00 C ATOM 742 NZ LYS A 126 7.441 9.610 -8.383 1.00 0.00 N ATOM 0 H LYS A 126 3.921 5.438 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 126 2.511 7.880 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.246 6.308 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.715 7.956 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.141 7.234 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.075 7.522 -9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.945 9.780 -9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.087 9.491 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.075 10.815 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.313 9.209 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.176 10.261 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.784 8.631 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.222 9.828 -9.376 1.00 0.00 H new ATOM 756 N GLU A 127 1.497 5.414 -9.888 1.00 0.00 N ATOM 757 CA GLU A 127 0.401 4.972 -10.737 1.00 0.00 C ATOM 758 C GLU A 127 -0.888 4.869 -9.941 1.00 0.00 C ATOM 759 O GLU A 127 -1.969 5.166 -10.448 1.00 0.00 O ATOM 760 CB GLU A 127 0.726 3.610 -11.330 1.00 0.00 C ATOM 761 CG GLU A 127 -0.337 3.234 -12.364 1.00 0.00 C ATOM 762 CD GLU A 127 0.019 1.904 -13.021 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.150 1.474 -12.869 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.845 1.335 -13.668 1.00 0.00 O ATOM 0 H GLU A 127 2.204 4.703 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 127 0.270 5.704 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.711 3.631 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.763 2.858 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.313 3.162 -11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.411 4.014 -13.121 1.00 0.00 H new ATOM 771 N ALA A 128 -0.767 4.431 -8.698 1.00 0.00 N ATOM 772 CA ALA A 128 -1.944 4.276 -7.837 1.00 0.00 C ATOM 773 C ALA A 128 -2.411 5.613 -7.281 1.00 0.00 C ATOM 774 O ALA A 128 -3.596 5.805 -7.018 1.00 0.00 O ATOM 775 CB ALA A 128 -1.639 3.329 -6.677 1.00 0.00 C ATOM 0 H ALA A 128 0.119 4.178 -8.261 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.740 3.858 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.524 3.226 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.357 2.352 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.818 3.732 -6.084 1.00 0.00 H new ATOM 781 N ASP A 129 -1.476 6.531 -7.098 1.00 0.00 N ATOM 782 CA ASP A 129 -1.805 7.844 -6.559 1.00 0.00 C ATOM 783 C ASP A 129 -2.436 8.732 -7.605 1.00 0.00 C ATOM 784 O ASP A 129 -1.835 9.030 -8.636 1.00 0.00 O ATOM 785 CB ASP A 129 -0.550 8.523 -6.038 1.00 0.00 C ATOM 786 CG ASP A 129 -0.894 9.879 -5.436 1.00 0.00 C ATOM 787 OD1 ASP A 129 -2.048 10.266 -5.514 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.006 10.513 -4.911 1.00 0.00 O ATOM 0 H ASP A 129 -0.488 6.394 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.519 7.693 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.073 7.894 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.167 8.649 -6.849 1.00 0.00 H new ATOM 793 N LEU A 130 -3.658 9.159 -7.326 1.00 0.00 N ATOM 794 CA LEU A 130 -4.375 10.022 -8.248 1.00 0.00 C ATOM 795 C LEU A 130 -4.007 11.487 -8.036 1.00 0.00 C ATOM 796 O LEU A 130 -4.206 12.314 -8.924 1.00 0.00 O ATOM 797 CB LEU A 130 -5.892 9.846 -8.074 1.00 0.00 C ATOM 798 CG LEU A 130 -6.635 10.373 -9.321 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.669 9.300 -10.421 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.073 10.747 -8.945 1.00 0.00 C ATOM 0 H LEU A 130 -4.169 8.924 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.088 9.735 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.128 8.793 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.229 10.383 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.106 11.251 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.196 9.689 -11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.650 9.035 -10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -7.185 8.415 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.595 11.119 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.589 9.867 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.059 11.522 -8.179 1.00 0.00 H new ATOM 812 N ASP A 131 -3.487 11.813 -6.853 1.00 0.00 N ATOM 813 CA ASP A 131 -3.117 13.200 -6.535 1.00 0.00 C ATOM 814 C ASP A 131 -1.607 13.368 -6.437 1.00 0.00 C ATOM 815 O ASP A 131 -1.128 14.402 -5.972 1.00 0.00 O ATOM 816 CB ASP A 131 -3.747 13.607 -5.202 1.00 0.00 C ATOM 817 CG ASP A 131 -3.263 12.682 -4.092 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.124 12.252 -4.160 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.035 12.428 -3.182 1.00 0.00 O ATOM 0 H ASP A 131 -3.312 11.145 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.485 13.835 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.485 14.639 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.834 13.563 -5.275 1.00 0.00 H new ATOM 824 N GLY A 132 -0.856 12.364 -6.882 1.00 0.00 N ATOM 825 CA GLY A 132 0.602 12.440 -6.833 1.00 0.00 C ATOM 826 C GLY A 132 1.079 13.059 -5.520 1.00 0.00 C ATOM 827 O GLY A 132 2.126 13.707 -5.478 1.00 0.00 O ATOM 0 H GLY A 132 -1.226 11.499 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.025 11.441 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.966 13.034 -7.671 1.00 0.00 H new ATOM 831 N ASP A 133 0.311 12.861 -4.447 1.00 0.00 N ATOM 832 CA ASP A 133 0.682 13.417 -3.150 1.00 0.00 C ATOM 833 C ASP A 133 1.872 12.664 -2.570 1.00 0.00 C ATOM 834 O ASP A 133 2.557 13.160 -1.675 1.00 0.00 O ATOM 835 CB ASP A 133 -0.495 13.331 -2.175 1.00 0.00 C ATOM 836 CG ASP A 133 -0.840 11.871 -1.898 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.369 11.023 -2.637 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.573 11.623 -0.955 1.00 0.00 O ATOM 0 H ASP A 133 -0.558 12.328 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 133 0.953 14.463 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.243 13.836 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.361 13.845 -2.592 1.00 0.00 H new ATOM 843 N GLY A 134 2.112 11.461 -3.089 1.00 0.00 N ATOM 844 CA GLY A 134 3.221 10.629 -2.633 1.00 0.00 C ATOM 845 C GLY A 134 2.732 9.600 -1.630 1.00 0.00 C ATOM 846 O GLY A 134 3.486 8.725 -1.205 1.00 0.00 O ATOM 0 H GLY A 134 1.550 11.040 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.681 10.127 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.990 11.254 -2.178 1.00 0.00 H new ATOM 850 N GLN A 135 1.469 9.731 -1.231 1.00 0.00 N ATOM 851 CA GLN A 135 0.875 8.840 -0.248 1.00 0.00 C ATOM 852 C GLN A 135 -0.333 8.137 -0.841 1.00 0.00 C ATOM 853 O GLN A 135 -1.176 8.765 -1.469 1.00 0.00 O ATOM 854 CB GLN A 135 0.450 9.688 0.975 1.00 0.00 C ATOM 855 CG GLN A 135 1.473 9.556 2.099 1.00 0.00 C ATOM 856 CD GLN A 135 1.205 10.592 3.181 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.257 11.471 3.009 1.00 0.00 O flip ATOM 858 NE2 GLN A 135 1.875 10.598 4.214 1.00 0.00 N flip ATOM 0 H GLN A 135 0.837 10.452 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 135 1.596 8.080 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.354 10.734 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.529 9.364 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.427 8.554 2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.479 9.687 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.616 9.909 4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.689 11.292 4.938 1.00 0.00 H new ATOM 867 N VAL A 136 -0.428 6.839 -0.611 1.00 0.00 N ATOM 868 CA VAL A 136 -1.568 6.085 -1.105 1.00 0.00 C ATOM 869 C VAL A 136 -2.709 6.221 -0.108 1.00 0.00 C ATOM 870 O VAL A 136 -2.588 5.801 1.048 1.00 0.00 O ATOM 871 CB VAL A 136 -1.187 4.612 -1.267 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.409 3.803 -1.704 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.090 4.477 -2.321 1.00 0.00 C ATOM 0 H VAL A 136 0.259 6.291 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.877 6.472 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.825 4.233 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.130 2.755 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.192 3.891 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.777 4.186 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.179 3.427 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.451 4.863 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.787 5.044 -2.009 1.00 0.00 H new ATOM 883 N ASN A 137 -3.826 6.796 -0.555 1.00 0.00 N ATOM 884 CA ASN A 137 -4.993 6.966 0.317 1.00 0.00 C ATOM 885 C ASN A 137 -5.948 5.788 0.141 1.00 0.00 C ATOM 886 O ASN A 137 -5.759 4.955 -0.743 1.00 0.00 O ATOM 887 CB ASN A 137 -5.719 8.276 -0.007 1.00 0.00 C ATOM 888 CG ASN A 137 -6.390 8.192 -1.372 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.185 7.228 -2.108 1.00 0.00 O ATOM 890 ND2 ASN A 137 -7.191 9.153 -1.755 1.00 0.00 N ATOM 0 H ASN A 137 -3.949 7.149 -1.504 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.652 7.003 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.466 8.484 0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -5.010 9.104 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.647 9.104 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.359 9.951 -1.143 1.00 0.00 H new ATOM 897 N TYR A 138 -6.958 5.709 0.999 1.00 0.00 N ATOM 898 CA TYR A 138 -7.912 4.602 0.938 1.00 0.00 C ATOM 899 C TYR A 138 -8.521 4.476 -0.455 1.00 0.00 C ATOM 900 O TYR A 138 -8.630 3.372 -0.987 1.00 0.00 O ATOM 901 CB TYR A 138 -9.030 4.813 1.961 1.00 0.00 C ATOM 902 CG TYR A 138 -9.890 3.573 2.025 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.494 2.492 2.825 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.079 3.500 1.291 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.288 1.341 2.891 1.00 0.00 C ATOM 906 CE2 TYR A 138 -11.872 2.348 1.356 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.476 1.268 2.156 1.00 0.00 C ATOM 908 OH TYR A 138 -12.261 0.134 2.222 1.00 0.00 O ATOM 0 H TYR A 138 -7.139 6.388 1.738 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.372 3.683 1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.605 5.026 2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.636 5.675 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.576 2.547 3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.385 4.332 0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.983 0.509 3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -12.790 2.292 0.789 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.149 0.329 1.857 1.00 0.00 H new ATOM 918 N GLU A 139 -8.924 5.601 -1.038 1.00 0.00 N ATOM 919 CA GLU A 139 -9.532 5.583 -2.367 1.00 0.00 C ATOM 920 C GLU A 139 -8.577 4.963 -3.389 1.00 0.00 C ATOM 921 O GLU A 139 -8.982 4.151 -4.218 1.00 0.00 O ATOM 922 CB GLU A 139 -9.899 7.010 -2.796 1.00 0.00 C ATOM 923 CG GLU A 139 -10.779 6.966 -4.045 1.00 0.00 C ATOM 924 CD GLU A 139 -12.156 6.414 -3.691 1.00 0.00 C ATOM 925 OE1 GLU A 139 -12.415 6.233 -2.514 1.00 0.00 O ATOM 926 OE2 GLU A 139 -12.933 6.186 -4.603 1.00 0.00 O ATOM 0 H GLU A 139 -8.843 6.527 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.437 4.977 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.424 7.519 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.994 7.583 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.876 7.966 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.312 6.342 -4.807 1.00 0.00 H new ATOM 933 N GLU A 140 -7.312 5.351 -3.356 1.00 0.00 N ATOM 934 CA GLU A 140 -6.364 4.795 -4.296 1.00 0.00 C ATOM 935 C GLU A 140 -6.060 3.352 -3.919 1.00 0.00 C ATOM 936 O GLU A 140 -5.865 2.502 -4.788 1.00 0.00 O ATOM 937 CB GLU A 140 -5.096 5.621 -4.297 1.00 0.00 C ATOM 938 CG GLU A 140 -5.404 7.035 -4.854 1.00 0.00 C ATOM 939 CD GLU A 140 -4.464 8.072 -4.264 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.506 7.676 -3.624 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.705 9.248 -4.485 1.00 0.00 O ATOM 0 H GLU A 140 -6.928 6.034 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.791 4.815 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.696 5.695 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.333 5.136 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.309 7.030 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.436 7.303 -4.625 1.00 0.00 H new ATOM 948 N PHE A 141 -6.018 3.075 -2.614 1.00 0.00 N ATOM 949 CA PHE A 141 -5.740 1.720 -2.154 1.00 0.00 C ATOM 950 C PHE A 141 -6.834 0.766 -2.621 1.00 0.00 C ATOM 951 O PHE A 141 -6.551 -0.241 -3.272 1.00 0.00 O ATOM 952 CB PHE A 141 -5.666 1.691 -0.624 1.00 0.00 C ATOM 953 CG PHE A 141 -5.239 0.314 -0.157 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.938 -0.137 -0.412 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.138 -0.508 0.540 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.536 -1.405 0.027 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.735 -1.777 0.978 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.434 -2.224 0.721 1.00 0.00 C ATOM 0 H PHE A 141 -6.170 3.759 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.785 1.403 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.958 2.441 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.637 1.944 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.244 0.493 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.142 -0.162 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.532 -1.751 -0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.428 -2.409 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.123 -3.202 1.058 1.00 0.00 H new ATOM 968 N VAL A 142 -8.084 1.090 -2.291 1.00 0.00 N ATOM 969 CA VAL A 142 -9.200 0.244 -2.692 1.00 0.00 C ATOM 970 C VAL A 142 -9.227 0.139 -4.210 1.00 0.00 C ATOM 971 O VAL A 142 -9.411 -0.943 -4.765 1.00 0.00 O ATOM 972 CB VAL A 142 -10.521 0.828 -2.172 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.807 2.149 -2.865 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.663 -0.148 -2.443 1.00 0.00 C ATOM 0 H VAL A 142 -8.344 1.919 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.075 -0.751 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.437 0.994 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.746 2.560 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.998 2.850 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.883 1.987 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.597 0.273 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.745 -0.323 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.463 -1.092 -1.936 1.00 0.00 H new ATOM 984 N LYS A 143 -9.023 1.267 -4.870 1.00 0.00 N ATOM 985 CA LYS A 143 -9.012 1.294 -6.322 1.00 0.00 C ATOM 986 C LYS A 143 -7.894 0.401 -6.851 1.00 0.00 C ATOM 987 O LYS A 143 -8.116 -0.450 -7.715 1.00 0.00 O ATOM 988 CB LYS A 143 -8.797 2.730 -6.787 1.00 0.00 C ATOM 989 CG LYS A 143 -8.892 2.806 -8.309 1.00 0.00 C ATOM 990 CD LYS A 143 -8.648 4.253 -8.753 1.00 0.00 C ATOM 991 CE LYS A 143 -9.807 5.169 -8.308 1.00 0.00 C ATOM 992 NZ LYS A 143 -9.513 5.699 -6.948 1.00 0.00 N ATOM 0 H LYS A 143 -8.864 2.171 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.963 0.923 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.543 3.383 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.821 3.085 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.157 2.143 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.874 2.471 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -7.711 4.614 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -8.544 4.292 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.929 5.991 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -10.744 4.613 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -10.128 5.230 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -8.518 5.514 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.688 6.724 -6.930 1.00 0.00 H new ATOM 1006 N MET A 144 -6.698 0.596 -6.309 1.00 0.00 N ATOM 1007 CA MET A 144 -5.537 -0.198 -6.712 1.00 0.00 C ATOM 1008 C MET A 144 -5.804 -1.657 -6.420 1.00 0.00 C ATOM 1009 O MET A 144 -5.457 -2.541 -7.200 1.00 0.00 O ATOM 1010 CB MET A 144 -4.309 0.230 -5.920 1.00 0.00 C ATOM 1011 CG MET A 144 -3.052 -0.444 -6.497 1.00 0.00 C ATOM 1012 SD MET A 144 -1.592 0.106 -5.573 1.00 0.00 S ATOM 1013 CE MET A 144 -2.029 -0.626 -3.976 1.00 0.00 C ATOM 0 H MET A 144 -6.504 1.294 -5.591 1.00 0.00 H new ATOM 0 HA MET A 144 -5.361 -0.046 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.201 1.314 -5.958 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.429 -0.042 -4.871 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.147 -1.528 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.944 -0.193 -7.552 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.120 -0.852 -3.418 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.638 0.077 -3.408 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.593 -1.545 -4.139 1.00 0.00 H new ATOM 1023 N MET A 145 -6.438 -1.888 -5.287 1.00 0.00 N ATOM 1024 CA MET A 145 -6.782 -3.250 -4.879 1.00 0.00 C ATOM 1025 C MET A 145 -7.810 -3.841 -5.838 1.00 0.00 C ATOM 1026 O MET A 145 -7.725 -5.012 -6.197 1.00 0.00 O ATOM 1027 CB MET A 145 -7.327 -3.271 -3.448 1.00 0.00 C ATOM 1028 CG MET A 145 -7.591 -4.721 -3.027 1.00 0.00 C ATOM 1029 SD MET A 145 -8.202 -4.755 -1.322 1.00 0.00 S ATOM 1030 CE MET A 145 -6.593 -4.785 -0.491 1.00 0.00 C ATOM 0 H MET A 145 -6.727 -1.161 -4.632 1.00 0.00 H new ATOM 0 HA MET A 145 -5.875 -3.854 -4.909 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.613 -2.807 -2.768 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.247 -2.690 -3.389 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.321 -5.177 -3.695 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.675 -5.307 -3.108 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.719 -4.507 0.555 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.171 -5.788 -0.552 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.920 -4.078 -0.976 1.00 0.00 H new ATOM 1040 N MET A 146 -8.772 -3.025 -6.256 1.00 0.00 N ATOM 1041 CA MET A 146 -9.805 -3.486 -7.177 1.00 0.00 C ATOM 1042 C MET A 146 -9.165 -3.931 -8.489 1.00 0.00 C ATOM 1043 O MET A 146 -9.599 -4.904 -9.108 1.00 0.00 O ATOM 1044 CB MET A 146 -10.820 -2.361 -7.445 1.00 0.00 C ATOM 1045 CG MET A 146 -11.807 -2.262 -6.276 1.00 0.00 C ATOM 1046 SD MET A 146 -12.914 -3.693 -6.294 1.00 0.00 S ATOM 1047 CE MET A 146 -14.139 -3.042 -5.133 1.00 0.00 C ATOM 0 H MET A 146 -8.858 -2.048 -5.974 1.00 0.00 H new ATOM 0 HA MET A 146 -10.328 -4.330 -6.727 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.299 -1.412 -7.574 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.359 -2.558 -8.372 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.265 -2.221 -5.331 1.00 0.00 H new ATOM 0 HG3 MET A 146 -12.385 -1.341 -6.352 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.932 -3.776 -4.992 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.660 -2.837 -4.176 1.00 0.00 H new ATOM 0 HE3 MET A 146 -14.564 -2.121 -5.531 1.00 0.00 H new ATOM 1057 N THR A 147 -8.133 -3.209 -8.910 1.00 0.00 N ATOM 1058 CA THR A 147 -7.442 -3.543 -10.153 1.00 0.00 C ATOM 1059 C THR A 147 -6.897 -4.970 -10.097 1.00 0.00 C ATOM 1060 O THR A 147 -7.408 -5.866 -10.769 1.00 0.00 O ATOM 1061 CB THR A 147 -6.287 -2.565 -10.381 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.771 -1.234 -10.275 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.695 -2.784 -11.775 1.00 0.00 C ATOM 0 H THR A 147 -7.759 -2.398 -8.417 1.00 0.00 H new ATOM 0 HA THR A 147 -8.153 -3.470 -10.976 1.00 0.00 H new ATOM 0 HB THR A 147 -5.514 -2.734 -9.631 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.033 -0.605 -10.419 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.873 -2.086 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 147 -5.325 -3.806 -11.857 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.465 -2.616 -12.528 1.00 0.00 H new