USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=17 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 Set 1.1: A 94 LYS NZ :NH3+ -140:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0.921 K(o=2.1,f=-3.2) USER MOD Set 2.1: A 90 LYS NZ :NH3+ -163:sc= -0.0318 (180deg=-0.322) USER MOD Set 2.2: A 96 GLN : amide:sc= 0 X(o=-0.032,f=-0.032) USER MOD Single : A 86 LYS NZ :NH3+ 135:sc= -0.286 (180deg=-1.59!) USER MOD Single : A 97 ASN : amide:sc= -3.75 K(o=-3.7,f=-15!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.224 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -1.05 K(o=-1.1,f=-5.9!) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0175 (180deg=-0.359) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 123 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.1) USER MOD Single : A 124 MET CE :methyl 160:sc= -0.209 (180deg=-1.17) USER MOD Single : A 126 LYS NZ :NH3+ 160:sc= -0.0286 (180deg=-0.462) USER MOD Single : A 135 GLN :FLIP amide:sc= -6.1! C(o=-9.3!,f=-6.1!) USER MOD Single : A 137 ASN : amide:sc= -0.725 K(o=-0.73,f=-3.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.387 USER MOD Single : A 143 LYS NZ :NH3+ 152:sc= -0.076 (180deg=-0.531) USER MOD Single : A 144 MET CE :methyl 152:sc= -0.175 (180deg=-1.32!) USER MOD Single : A 145 MET CE :methyl -143:sc= -0.0765 (180deg=-2.12!) USER MOD Single : A 146 MET CE :methyl 156:sc= -0.105 (180deg=-0.912) USER MOD Single : A 147 THR OG1 : rot 67:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 83 -15.799 -4.128 5.347 1.00 0.00 N ATOM 41 CA GLU A 83 -15.323 -4.214 6.721 1.00 0.00 C ATOM 42 C GLU A 83 -13.847 -4.588 6.713 1.00 0.00 C ATOM 43 O GLU A 83 -12.990 -3.783 7.078 1.00 0.00 O ATOM 44 CB GLU A 83 -16.130 -5.245 7.504 1.00 0.00 C ATOM 45 CG GLU A 83 -17.567 -4.748 7.675 1.00 0.00 C ATOM 46 CD GLU A 83 -18.408 -5.825 8.349 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.842 -6.829 8.747 1.00 0.00 O ATOM 48 OE2 GLU A 83 -19.607 -5.629 8.456 1.00 0.00 O ATOM 0 HA GLU A 83 -15.450 -3.248 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.125 -6.201 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.674 -5.414 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.578 -3.837 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.993 -4.496 6.704 1.00 0.00 H new ATOM 55 N GLU A 84 -13.549 -5.816 6.300 1.00 0.00 N ATOM 56 CA GLU A 84 -12.165 -6.268 6.258 1.00 0.00 C ATOM 57 C GLU A 84 -11.267 -5.189 5.650 1.00 0.00 C ATOM 58 O GLU A 84 -10.128 -5.012 6.079 1.00 0.00 O ATOM 59 CB GLU A 84 -12.057 -7.557 5.437 1.00 0.00 C ATOM 60 CG GLU A 84 -12.785 -8.687 6.166 1.00 0.00 C ATOM 61 CD GLU A 84 -12.765 -9.957 5.320 1.00 0.00 C ATOM 62 OE1 GLU A 84 -12.199 -9.916 4.239 1.00 0.00 O ATOM 63 OE2 GLU A 84 -13.319 -10.948 5.763 1.00 0.00 O ATOM 0 H GLU A 84 -14.236 -6.505 5.994 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.835 -6.465 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.491 -7.409 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.010 -7.820 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.309 -8.875 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.815 -8.394 6.371 1.00 0.00 H new ATOM 70 N LEU A 85 -11.778 -4.465 4.659 1.00 0.00 N ATOM 71 CA LEU A 85 -10.986 -3.408 4.032 1.00 0.00 C ATOM 72 C LEU A 85 -10.651 -2.318 5.043 1.00 0.00 C ATOM 73 O LEU A 85 -9.513 -1.858 5.115 1.00 0.00 O ATOM 74 CB LEU A 85 -11.748 -2.814 2.847 1.00 0.00 C ATOM 75 CG LEU A 85 -11.627 -3.742 1.628 1.00 0.00 C ATOM 76 CD1 LEU A 85 -12.674 -3.341 0.585 1.00 0.00 C ATOM 77 CD2 LEU A 85 -10.212 -3.637 1.015 1.00 0.00 C ATOM 0 H LEU A 85 -12.716 -4.585 4.278 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.053 -3.841 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.797 -2.679 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.350 -1.828 2.605 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.796 -4.772 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.593 -3.996 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.671 -3.432 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.505 -2.309 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.139 -4.299 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.027 -2.610 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.471 -3.928 1.759 1.00 0.00 H new ATOM 89 N LYS A 86 -11.638 -1.910 5.833 1.00 0.00 N ATOM 90 CA LYS A 86 -11.400 -0.885 6.839 1.00 0.00 C ATOM 91 C LYS A 86 -10.377 -1.374 7.865 1.00 0.00 C ATOM 92 O LYS A 86 -9.494 -0.621 8.276 1.00 0.00 O ATOM 93 CB LYS A 86 -12.704 -0.518 7.543 1.00 0.00 C ATOM 94 CG LYS A 86 -13.574 0.332 6.612 1.00 0.00 C ATOM 95 CD LYS A 86 -14.869 0.717 7.331 1.00 0.00 C ATOM 96 CE LYS A 86 -14.636 1.981 8.163 1.00 0.00 C ATOM 97 NZ LYS A 86 -14.192 3.088 7.268 1.00 0.00 N ATOM 0 H LYS A 86 -12.593 -2.266 5.798 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.006 0.001 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.240 -1.423 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.491 0.032 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.033 1.229 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.802 -0.224 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.663 0.888 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.196 -0.099 7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.553 2.263 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.883 1.793 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.710 3.957 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.172 3.247 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.384 2.832 6.278 1.00 0.00 H new ATOM 111 N GLU A 87 -10.488 -2.637 8.267 1.00 0.00 N ATOM 112 CA GLU A 87 -9.552 -3.192 9.233 1.00 0.00 C ATOM 113 C GLU A 87 -8.189 -3.406 8.580 1.00 0.00 C ATOM 114 O GLU A 87 -7.162 -2.990 9.116 1.00 0.00 O ATOM 115 CB GLU A 87 -10.088 -4.514 9.773 1.00 0.00 C ATOM 116 CG GLU A 87 -9.162 -5.023 10.871 1.00 0.00 C ATOM 117 CD GLU A 87 -9.744 -6.281 11.511 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.902 -6.571 11.258 1.00 0.00 O ATOM 119 OE2 GLU A 87 -9.025 -6.933 12.250 1.00 0.00 O ATOM 0 H GLU A 87 -11.206 -3.285 7.943 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.438 -2.491 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.096 -4.378 10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.156 -5.247 8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.178 -5.240 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.025 -4.251 11.628 1.00 0.00 H new ATOM 126 N ALA A 88 -8.184 -4.058 7.423 1.00 0.00 N ATOM 127 CA ALA A 88 -6.931 -4.311 6.729 1.00 0.00 C ATOM 128 C ALA A 88 -6.168 -3.002 6.530 1.00 0.00 C ATOM 129 O ALA A 88 -4.970 -2.916 6.804 1.00 0.00 O ATOM 130 CB ALA A 88 -7.204 -4.967 5.374 1.00 0.00 C ATOM 0 H ALA A 88 -9.017 -4.414 6.954 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.325 -4.986 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.259 -5.152 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.726 -5.912 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.822 -4.305 4.767 1.00 0.00 H new ATOM 136 N PHE A 89 -6.871 -1.975 6.074 1.00 0.00 N ATOM 137 CA PHE A 89 -6.245 -0.676 5.866 1.00 0.00 C ATOM 138 C PHE A 89 -5.685 -0.149 7.183 1.00 0.00 C ATOM 139 O PHE A 89 -4.573 0.374 7.229 1.00 0.00 O ATOM 140 CB PHE A 89 -7.262 0.314 5.299 1.00 0.00 C ATOM 141 CG PHE A 89 -6.590 1.645 5.042 1.00 0.00 C ATOM 142 CD1 PHE A 89 -5.962 1.890 3.816 1.00 0.00 C ATOM 143 CD2 PHE A 89 -6.608 2.640 6.025 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.353 3.125 3.572 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.997 3.875 5.784 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.371 4.119 4.557 1.00 0.00 C ATOM 0 H PHE A 89 -7.864 -2.014 5.843 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.428 -0.790 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.685 -0.075 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.088 0.442 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.948 1.123 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.094 2.454 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.869 3.311 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.009 4.641 6.546 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.902 5.074 4.370 1.00 0.00 H new ATOM 156 N LYS A 90 -6.458 -0.290 8.258 1.00 0.00 N ATOM 157 CA LYS A 90 -6.016 0.181 9.564 1.00 0.00 C ATOM 158 C LYS A 90 -4.742 -0.548 9.993 1.00 0.00 C ATOM 159 O LYS A 90 -3.894 0.025 10.677 1.00 0.00 O ATOM 160 CB LYS A 90 -7.122 -0.040 10.599 1.00 0.00 C ATOM 161 CG LYS A 90 -6.722 0.605 11.929 1.00 0.00 C ATOM 162 CD LYS A 90 -7.871 0.455 12.931 1.00 0.00 C ATOM 163 CE LYS A 90 -7.489 1.127 14.251 1.00 0.00 C ATOM 164 NZ LYS A 90 -6.385 0.361 14.896 1.00 0.00 N ATOM 0 H LYS A 90 -7.382 -0.722 8.250 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.798 1.247 9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.058 0.390 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.294 -1.107 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.820 0.132 12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.490 1.659 11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.778 0.907 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.087 -0.600 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.176 2.155 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.353 1.168 14.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.317 0.628 15.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.580 -0.658 14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.487 0.578 14.419 1.00 0.00 H new ATOM 178 N VAL A 91 -4.601 -1.806 9.585 1.00 0.00 N ATOM 179 CA VAL A 91 -3.409 -2.573 9.936 1.00 0.00 C ATOM 180 C VAL A 91 -2.234 -2.175 9.043 1.00 0.00 C ATOM 181 O VAL A 91 -1.080 -2.201 9.469 1.00 0.00 O ATOM 182 CB VAL A 91 -3.686 -4.071 9.812 1.00 0.00 C ATOM 183 CG1 VAL A 91 -2.410 -4.857 10.124 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.781 -4.463 10.807 1.00 0.00 C ATOM 0 H VAL A 91 -5.285 -2.310 9.020 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.148 -2.351 10.971 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.011 -4.300 8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.610 -5.925 10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.627 -4.574 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.083 -4.632 11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.983 -5.531 10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.451 -4.234 11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.690 -3.903 10.587 1.00 0.00 H new ATOM 194 N PHE A 92 -2.529 -1.800 7.800 1.00 0.00 N ATOM 195 CA PHE A 92 -1.470 -1.397 6.879 1.00 0.00 C ATOM 196 C PHE A 92 -0.808 -0.113 7.359 1.00 0.00 C ATOM 197 O PHE A 92 0.395 0.078 7.188 1.00 0.00 O ATOM 198 CB PHE A 92 -2.029 -1.170 5.468 1.00 0.00 C ATOM 199 CG PHE A 92 -2.013 -2.463 4.686 1.00 0.00 C ATOM 200 CD1 PHE A 92 -2.450 -3.643 5.288 1.00 0.00 C ATOM 201 CD2 PHE A 92 -1.565 -2.476 3.361 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.443 -4.839 4.570 1.00 0.00 C ATOM 203 CE2 PHE A 92 -1.559 -3.672 2.641 1.00 0.00 C ATOM 204 CZ PHE A 92 -1.999 -4.856 3.246 1.00 0.00 C ATOM 0 H PHE A 92 -3.472 -1.767 7.414 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.734 -2.201 6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.047 -0.786 5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.435 -0.416 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.794 -3.631 6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.224 -1.563 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.781 -5.752 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.215 -3.684 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.995 -5.781 2.689 1.00 0.00 H new ATOM 214 N ASP A 93 -1.601 0.774 7.947 1.00 0.00 N ATOM 215 CA ASP A 93 -1.063 2.038 8.421 1.00 0.00 C ATOM 216 C ASP A 93 -0.281 1.849 9.720 1.00 0.00 C ATOM 217 O ASP A 93 -0.764 2.189 10.798 1.00 0.00 O ATOM 218 CB ASP A 93 -2.210 3.036 8.650 1.00 0.00 C ATOM 219 CG ASP A 93 -1.678 4.465 8.637 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.646 4.700 9.240 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.311 5.301 8.016 1.00 0.00 O ATOM 0 H ASP A 93 -2.600 0.644 8.104 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.382 2.426 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.967 2.915 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.695 2.830 9.604 1.00 0.00 H new ATOM 226 N LYS A 94 0.931 1.304 9.619 1.00 0.00 N ATOM 227 CA LYS A 94 1.742 1.086 10.811 1.00 0.00 C ATOM 228 C LYS A 94 1.838 2.377 11.621 1.00 0.00 C ATOM 229 O LYS A 94 1.657 2.368 12.838 1.00 0.00 O ATOM 230 CB LYS A 94 3.144 0.619 10.410 1.00 0.00 C ATOM 231 CG LYS A 94 3.084 -0.824 9.901 1.00 0.00 C ATOM 232 CD LYS A 94 4.448 -1.216 9.325 1.00 0.00 C ATOM 233 CE LYS A 94 5.454 -1.392 10.464 1.00 0.00 C ATOM 234 NZ LYS A 94 6.640 -2.145 9.967 1.00 0.00 N ATOM 0 H LYS A 94 1.364 1.012 8.743 1.00 0.00 H new ATOM 0 HA LYS A 94 1.271 0.317 11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.547 1.271 9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.818 0.685 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.813 -1.497 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.313 -0.920 9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.362 -2.142 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.796 -0.449 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.762 -0.418 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.991 -1.927 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.952 -2.821 10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.385 -2.661 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.412 -1.479 9.759 1.00 0.00 H new ATOM 248 N ASP A 95 2.116 3.487 10.950 1.00 0.00 N ATOM 249 CA ASP A 95 2.224 4.769 11.636 1.00 0.00 C ATOM 250 C ASP A 95 0.844 5.236 12.085 1.00 0.00 C ATOM 251 O ASP A 95 0.710 6.255 12.759 1.00 0.00 O ATOM 252 CB ASP A 95 2.829 5.818 10.697 1.00 0.00 C ATOM 253 CG ASP A 95 3.965 5.201 9.892 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.945 4.798 10.496 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.834 5.137 8.679 1.00 0.00 O ATOM 0 H ASP A 95 2.269 3.527 9.942 1.00 0.00 H new ATOM 0 HA ASP A 95 2.869 4.646 12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.062 6.202 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.199 6.665 11.275 1.00 0.00 H new ATOM 260 N GLN A 96 -0.182 4.490 11.705 1.00 0.00 N ATOM 261 CA GLN A 96 -1.542 4.855 12.080 1.00 0.00 C ATOM 262 C GLN A 96 -1.811 6.323 11.723 1.00 0.00 C ATOM 263 O GLN A 96 -2.601 6.999 12.379 1.00 0.00 O ATOM 264 CB GLN A 96 -1.744 4.654 13.586 1.00 0.00 C ATOM 265 CG GLN A 96 -3.241 4.520 13.907 1.00 0.00 C ATOM 266 CD GLN A 96 -3.434 4.303 15.401 1.00 0.00 C ATOM 267 OE1 GLN A 96 -3.069 5.159 16.205 1.00 0.00 O ATOM 268 NE2 GLN A 96 -3.993 3.202 15.823 1.00 0.00 N ATOM 0 H GLN A 96 -0.103 3.641 11.146 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.237 4.217 11.534 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.213 3.761 13.916 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.321 5.497 14.133 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.771 5.418 13.590 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.667 3.685 13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.295 2.494 15.153 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.128 3.049 16.822 1.00 0.00 H new ATOM 277 N ASN A 97 -1.143 6.824 10.693 1.00 0.00 N ATOM 278 CA ASN A 97 -1.327 8.219 10.291 1.00 0.00 C ATOM 279 C ASN A 97 -2.536 8.369 9.369 1.00 0.00 C ATOM 280 O ASN A 97 -2.851 9.473 8.929 1.00 0.00 O ATOM 281 CB ASN A 97 -0.080 8.725 9.574 1.00 0.00 C ATOM 282 CG ASN A 97 0.113 7.949 8.278 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.552 6.939 8.058 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.984 8.361 7.401 1.00 0.00 N ATOM 0 H ASN A 97 -0.478 6.298 10.126 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.499 8.809 11.191 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.177 9.790 9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.794 8.606 10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.115 7.845 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.535 9.199 7.585 1.00 0.00 H new ATOM 291 N GLY A 98 -3.213 7.263 9.080 1.00 0.00 N ATOM 292 CA GLY A 98 -4.386 7.309 8.207 1.00 0.00 C ATOM 293 C GLY A 98 -3.987 7.189 6.741 1.00 0.00 C ATOM 294 O GLY A 98 -4.843 7.033 5.872 1.00 0.00 O ATOM 0 H GLY A 98 -2.976 6.335 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.069 6.501 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.924 8.244 8.365 1.00 0.00 H new ATOM 298 N TYR A 99 -2.684 7.259 6.466 1.00 0.00 N ATOM 299 CA TYR A 99 -2.182 7.154 5.089 1.00 0.00 C ATOM 300 C TYR A 99 -1.107 6.078 5.002 1.00 0.00 C ATOM 301 O TYR A 99 -0.202 6.044 5.829 1.00 0.00 O ATOM 302 CB TYR A 99 -1.590 8.498 4.655 1.00 0.00 C ATOM 303 CG TYR A 99 -2.707 9.454 4.311 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.486 10.010 5.330 1.00 0.00 C ATOM 305 CD2 TYR A 99 -2.962 9.783 2.974 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.519 10.898 5.014 1.00 0.00 C ATOM 307 CE2 TYR A 99 -3.995 10.671 2.660 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.774 11.231 3.678 1.00 0.00 C ATOM 309 OH TYR A 99 -5.794 12.107 3.368 1.00 0.00 O ATOM 0 H TYR A 99 -1.958 7.387 7.171 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.009 6.886 4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.976 8.912 5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.938 8.359 3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.290 9.754 6.361 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.362 9.351 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.121 11.327 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.192 10.925 1.629 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.835 12.231 2.397 1.00 0.00 H new ATOM 319 N ILE A 100 -1.185 5.207 3.995 1.00 0.00 N ATOM 320 CA ILE A 100 -0.170 4.165 3.850 1.00 0.00 C ATOM 321 C ILE A 100 1.043 4.748 3.125 1.00 0.00 C ATOM 322 O ILE A 100 0.907 5.357 2.062 1.00 0.00 O ATOM 323 CB ILE A 100 -0.711 2.971 3.062 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.104 2.578 3.585 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.255 1.793 3.221 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.671 1.451 2.717 1.00 0.00 C ATOM 0 H ILE A 100 -1.919 5.200 3.286 1.00 0.00 H new ATOM 0 HA ILE A 100 0.114 3.815 4.843 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.798 3.239 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.037 2.254 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.770 3.440 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.121 0.936 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.236 2.073 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.339 1.531 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.658 1.170 3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.752 1.792 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.007 0.588 2.763 1.00 0.00 H new ATOM 338 N SER A 101 2.229 4.565 3.709 1.00 0.00 N ATOM 339 CA SER A 101 3.463 5.091 3.108 1.00 0.00 C ATOM 340 C SER A 101 4.158 4.016 2.280 1.00 0.00 C ATOM 341 O SER A 101 4.002 2.826 2.548 1.00 0.00 O ATOM 342 CB SER A 101 4.408 5.575 4.212 1.00 0.00 C ATOM 343 OG SER A 101 5.181 4.482 4.687 1.00 0.00 O ATOM 0 H SER A 101 2.364 4.063 4.587 1.00 0.00 H new ATOM 0 HA SER A 101 3.203 5.924 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.063 6.357 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.835 6.012 5.030 1.00 0.00 H new ATOM 0 HG SER A 101 5.787 4.792 5.392 1.00 0.00 H new ATOM 349 N ALA A 102 4.924 4.427 1.272 1.00 0.00 N ATOM 350 CA ALA A 102 5.623 3.457 0.434 1.00 0.00 C ATOM 351 C ALA A 102 6.377 2.457 1.313 1.00 0.00 C ATOM 352 O ALA A 102 6.409 1.262 1.017 1.00 0.00 O ATOM 353 CB ALA A 102 6.601 4.173 -0.494 1.00 0.00 C ATOM 0 H ALA A 102 5.075 5.404 1.019 1.00 0.00 H new ATOM 0 HA ALA A 102 4.891 2.921 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.117 3.440 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.055 4.868 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.331 4.723 0.101 1.00 0.00 H new ATOM 359 N SER A 103 6.981 2.944 2.395 1.00 0.00 N ATOM 360 CA SER A 103 7.708 2.065 3.305 1.00 0.00 C ATOM 361 C SER A 103 6.765 1.024 3.918 1.00 0.00 C ATOM 362 O SER A 103 7.138 -0.133 4.105 1.00 0.00 O ATOM 363 CB SER A 103 8.371 2.883 4.410 1.00 0.00 C ATOM 364 OG SER A 103 9.344 3.749 3.833 1.00 0.00 O ATOM 0 H SER A 103 6.982 3.929 2.660 1.00 0.00 H new ATOM 0 HA SER A 103 8.479 1.544 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.622 3.465 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.842 2.221 5.137 1.00 0.00 H new ATOM 0 HG SER A 103 9.771 4.278 4.539 1.00 0.00 H new ATOM 370 N GLU A 104 5.549 1.433 4.249 1.00 0.00 N ATOM 371 CA GLU A 104 4.591 0.509 4.825 1.00 0.00 C ATOM 372 C GLU A 104 4.117 -0.495 3.770 1.00 0.00 C ATOM 373 O GLU A 104 3.994 -1.686 4.047 1.00 0.00 O ATOM 374 CB GLU A 104 3.405 1.283 5.394 1.00 0.00 C ATOM 375 CG GLU A 104 3.843 2.107 6.601 1.00 0.00 C ATOM 376 CD GLU A 104 2.615 2.749 7.235 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.630 2.911 6.533 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.676 3.082 8.407 1.00 0.00 O ATOM 0 H GLU A 104 5.208 2.387 4.130 1.00 0.00 H new ATOM 0 HA GLU A 104 5.073 -0.044 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.989 1.938 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.615 0.590 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.352 1.472 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.554 2.875 6.295 1.00 0.00 H new ATOM 385 N LEU A 105 3.856 -0.018 2.555 1.00 0.00 N ATOM 386 CA LEU A 105 3.420 -0.906 1.480 1.00 0.00 C ATOM 387 C LEU A 105 4.533 -1.901 1.135 1.00 0.00 C ATOM 388 O LEU A 105 4.294 -3.097 0.958 1.00 0.00 O ATOM 389 CB LEU A 105 3.042 -0.076 0.241 1.00 0.00 C ATOM 390 CG LEU A 105 2.638 -0.996 -0.936 1.00 0.00 C ATOM 391 CD1 LEU A 105 3.887 -1.611 -1.579 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.692 -2.113 -0.446 1.00 0.00 C ATOM 0 H LEU A 105 3.937 0.964 2.292 1.00 0.00 H new ATOM 0 HA LEU A 105 2.545 -1.465 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.217 0.594 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.884 0.550 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 105 2.115 -0.396 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.590 -2.256 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.533 -0.816 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.427 -2.198 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.417 -2.751 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.197 -2.710 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.793 -1.668 -0.019 1.00 0.00 H new ATOM 404 N ARG A 106 5.759 -1.404 1.043 1.00 0.00 N ATOM 405 CA ARG A 106 6.881 -2.275 0.726 1.00 0.00 C ATOM 406 C ARG A 106 7.040 -3.341 1.815 1.00 0.00 C ATOM 407 O ARG A 106 7.191 -4.523 1.514 1.00 0.00 O ATOM 408 CB ARG A 106 8.164 -1.453 0.597 1.00 0.00 C ATOM 409 CG ARG A 106 9.360 -2.392 0.445 1.00 0.00 C ATOM 410 CD ARG A 106 9.134 -3.351 -0.716 1.00 0.00 C ATOM 411 NE ARG A 106 10.412 -3.862 -1.193 1.00 0.00 N ATOM 412 CZ ARG A 106 11.203 -3.108 -1.944 1.00 0.00 C ATOM 413 NH1 ARG A 106 10.837 -1.892 -2.238 1.00 0.00 N ATOM 414 NH2 ARG A 106 12.337 -3.578 -2.385 1.00 0.00 N ATOM 0 H ARG A 106 5.999 -0.422 1.180 1.00 0.00 H new ATOM 0 HA ARG A 106 6.687 -2.771 -0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.098 -0.789 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.294 -0.822 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.267 -1.812 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.509 -2.955 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.498 -4.177 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.612 -2.840 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 106 10.701 -4.809 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.949 -1.529 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.438 -1.304 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.619 -4.530 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.941 -2.993 -2.962 1.00 0.00 H new ATOM 428 N HIS A 107 6.998 -2.920 3.074 1.00 0.00 N ATOM 429 CA HIS A 107 7.141 -3.864 4.174 1.00 0.00 C ATOM 430 C HIS A 107 6.127 -4.985 4.026 1.00 0.00 C ATOM 431 O HIS A 107 6.441 -6.151 4.260 1.00 0.00 O ATOM 432 CB HIS A 107 6.945 -3.147 5.512 1.00 0.00 C ATOM 433 CG HIS A 107 7.164 -4.120 6.638 1.00 0.00 C ATOM 434 ND1 HIS A 107 6.386 -4.111 7.784 1.00 0.00 N ATOM 435 CD2 HIS A 107 8.068 -5.141 6.804 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.832 -5.097 8.584 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.856 -5.756 8.034 1.00 0.00 N ATOM 0 H HIS A 107 6.868 -1.948 3.355 1.00 0.00 H new ATOM 0 HA HIS A 107 8.144 -4.289 4.150 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.643 -2.314 5.596 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.940 -2.728 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.827 -5.423 6.089 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.413 -5.328 9.552 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.372 -6.542 8.431 1.00 0.00 H new ATOM 446 N VAL A 108 4.917 -4.635 3.612 1.00 0.00 N ATOM 447 CA VAL A 108 3.878 -5.637 3.418 1.00 0.00 C ATOM 448 C VAL A 108 4.305 -6.634 2.344 1.00 0.00 C ATOM 449 O VAL A 108 4.113 -7.839 2.495 1.00 0.00 O ATOM 450 CB VAL A 108 2.562 -4.963 3.019 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.535 -6.030 2.628 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.024 -4.156 4.204 1.00 0.00 C ATOM 0 H VAL A 108 4.633 -3.677 3.406 1.00 0.00 H new ATOM 0 HA VAL A 108 3.727 -6.173 4.355 1.00 0.00 H new ATOM 0 HB VAL A 108 2.739 -4.300 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.599 -5.548 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.914 -6.609 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.359 -6.693 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.087 -3.676 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.850 -4.822 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.751 -3.395 4.486 1.00 0.00 H new ATOM 462 N MET A 109 4.881 -6.134 1.255 1.00 0.00 N ATOM 463 CA MET A 109 5.320 -7.013 0.179 1.00 0.00 C ATOM 464 C MET A 109 6.336 -8.020 0.699 1.00 0.00 C ATOM 465 O MET A 109 6.283 -9.199 0.351 1.00 0.00 O ATOM 466 CB MET A 109 5.932 -6.181 -0.952 1.00 0.00 C ATOM 467 CG MET A 109 4.828 -5.644 -1.868 1.00 0.00 C ATOM 468 SD MET A 109 3.376 -5.192 -0.883 1.00 0.00 S ATOM 469 CE MET A 109 2.122 -5.719 -2.073 1.00 0.00 C ATOM 0 H MET A 109 5.052 -5.141 1.096 1.00 0.00 H new ATOM 0 HA MET A 109 4.458 -7.559 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.505 -5.352 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.628 -6.792 -1.528 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.190 -4.775 -2.418 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.557 -6.399 -2.606 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.130 -5.529 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.245 -5.162 -3.002 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.234 -6.785 -2.272 1.00 0.00 H new ATOM 479 N ILE A 110 7.249 -7.564 1.549 1.00 0.00 N ATOM 480 CA ILE A 110 8.250 -8.466 2.113 1.00 0.00 C ATOM 481 C ILE A 110 7.555 -9.520 2.980 1.00 0.00 C ATOM 482 O ILE A 110 7.871 -10.706 2.902 1.00 0.00 O ATOM 483 CB ILE A 110 9.251 -7.674 2.956 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.712 -6.446 2.165 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.470 -8.555 3.258 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.093 -6.858 0.743 1.00 0.00 C ATOM 0 H ILE A 110 7.319 -6.595 1.859 1.00 0.00 H new ATOM 0 HA ILE A 110 8.787 -8.961 1.304 1.00 0.00 H new ATOM 0 HB ILE A 110 8.779 -7.363 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.917 -5.701 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 110 10.565 -5.983 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.185 -7.993 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.152 -9.441 3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.941 -8.858 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.420 -5.980 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.903 -7.587 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.228 -7.301 0.248 1.00 0.00 H new ATOM 498 N ASN A 111 6.607 -9.081 3.805 1.00 0.00 N ATOM 499 CA ASN A 111 5.883 -10.007 4.667 1.00 0.00 C ATOM 500 C ASN A 111 5.173 -11.056 3.822 1.00 0.00 C ATOM 501 O ASN A 111 5.043 -12.211 4.228 1.00 0.00 O ATOM 502 CB ASN A 111 4.873 -9.249 5.529 1.00 0.00 C ATOM 503 CG ASN A 111 3.927 -10.231 6.221 1.00 0.00 C ATOM 504 OD1 ASN A 111 3.086 -10.847 5.564 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.018 -10.422 7.509 1.00 0.00 N ATOM 0 H ASN A 111 6.326 -8.104 3.893 1.00 0.00 H new ATOM 0 HA ASN A 111 6.595 -10.506 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.397 -8.651 6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.302 -8.558 4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.393 -11.081 7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.714 -9.912 8.052 1.00 0.00 H new ATOM 512 N LEU A 112 4.726 -10.654 2.641 1.00 0.00 N ATOM 513 CA LEU A 112 4.044 -11.583 1.746 1.00 0.00 C ATOM 514 C LEU A 112 5.051 -12.437 0.978 1.00 0.00 C ATOM 515 O LEU A 112 4.668 -13.335 0.230 1.00 0.00 O ATOM 516 CB LEU A 112 3.163 -10.810 0.751 1.00 0.00 C ATOM 517 CG LEU A 112 1.735 -10.662 1.295 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.743 -9.770 2.535 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.846 -10.037 0.221 1.00 0.00 C ATOM 0 H LEU A 112 4.820 -9.704 2.282 1.00 0.00 H new ATOM 0 HA LEU A 112 3.419 -12.239 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.592 -9.825 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.141 -11.332 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 112 1.348 -11.645 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.727 -9.668 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.376 -10.218 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.132 -8.786 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.169 -9.931 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.236 -9.056 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.835 -10.678 -0.661 1.00 0.00 H new ATOM 531 N GLY A 113 6.326 -12.158 1.160 1.00 0.00 N ATOM 532 CA GLY A 113 7.361 -12.923 0.470 1.00 0.00 C ATOM 533 C GLY A 113 7.573 -12.398 -0.946 1.00 0.00 C ATOM 534 O GLY A 113 8.101 -13.105 -1.803 1.00 0.00 O ATOM 0 H GLY A 113 6.674 -11.418 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.296 -12.864 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.078 -13.975 0.434 1.00 0.00 H new ATOM 538 N GLU A 114 7.158 -11.154 -1.187 1.00 0.00 N ATOM 539 CA GLU A 114 7.312 -10.531 -2.506 1.00 0.00 C ATOM 540 C GLU A 114 8.309 -9.379 -2.416 1.00 0.00 C ATOM 541 O GLU A 114 8.187 -8.520 -1.546 1.00 0.00 O ATOM 542 CB GLU A 114 5.964 -9.995 -2.993 1.00 0.00 C ATOM 543 CG GLU A 114 5.022 -11.158 -3.314 1.00 0.00 C ATOM 544 CD GLU A 114 3.651 -10.616 -3.705 1.00 0.00 C ATOM 545 OE1 GLU A 114 3.508 -9.406 -3.755 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.764 -11.418 -3.948 1.00 0.00 O ATOM 0 H GLU A 114 6.713 -10.557 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 114 7.678 -11.279 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.520 -9.357 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.108 -9.378 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.432 -11.757 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.931 -11.814 -2.449 1.00 0.00 H new ATOM 553 N LYS A 115 9.301 -9.358 -3.307 1.00 0.00 N ATOM 554 CA LYS A 115 10.309 -8.295 -3.301 1.00 0.00 C ATOM 555 C LYS A 115 10.460 -7.704 -4.697 1.00 0.00 C ATOM 556 O LYS A 115 11.002 -8.343 -5.595 1.00 0.00 O ATOM 557 CB LYS A 115 11.659 -8.862 -2.833 1.00 0.00 C ATOM 558 CG LYS A 115 11.853 -10.260 -3.423 1.00 0.00 C ATOM 559 CD LYS A 115 13.228 -10.795 -3.035 1.00 0.00 C ATOM 560 CE LYS A 115 13.432 -12.172 -3.668 1.00 0.00 C ATOM 561 NZ LYS A 115 12.489 -13.145 -3.050 1.00 0.00 N ATOM 0 H LYS A 115 9.429 -10.059 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 115 9.988 -7.510 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.471 -8.206 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.690 -8.907 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.075 -10.930 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.759 -10.224 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.006 -10.109 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.311 -10.865 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.264 -12.119 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.460 -12.503 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.807 -14.114 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.464 -12.999 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.537 -13.003 -3.443 1.00 0.00 H new ATOM 575 N LEU A 116 9.985 -6.476 -4.884 1.00 0.00 N ATOM 576 CA LEU A 116 10.085 -5.814 -6.186 1.00 0.00 C ATOM 577 C LEU A 116 11.074 -4.656 -6.098 1.00 0.00 C ATOM 578 O LEU A 116 11.370 -4.172 -5.005 1.00 0.00 O ATOM 579 CB LEU A 116 8.710 -5.291 -6.616 1.00 0.00 C ATOM 580 CG LEU A 116 7.713 -6.452 -6.711 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.984 -6.627 -5.373 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.687 -6.155 -7.807 1.00 0.00 C ATOM 0 H LEU A 116 9.530 -5.921 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 116 10.437 -6.533 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.353 -4.552 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.788 -4.788 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 116 8.255 -7.367 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.278 -7.454 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.710 -6.841 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.446 -5.711 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.978 -6.980 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.152 -5.236 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.199 -6.037 -8.762 1.00 0.00 H new ATOM 594 N THR A 117 11.593 -4.211 -7.238 1.00 0.00 N ATOM 595 CA THR A 117 12.549 -3.107 -7.225 1.00 0.00 C ATOM 596 C THR A 117 11.835 -1.815 -6.828 1.00 0.00 C ATOM 597 O THR A 117 10.609 -1.735 -6.910 1.00 0.00 O ATOM 598 CB THR A 117 13.184 -2.943 -8.609 1.00 0.00 C ATOM 599 OG1 THR A 117 12.282 -2.245 -9.455 1.00 0.00 O ATOM 600 CG2 THR A 117 13.481 -4.321 -9.202 1.00 0.00 C ATOM 0 H THR A 117 11.376 -4.586 -8.161 1.00 0.00 H new ATOM 0 HA THR A 117 13.334 -3.325 -6.500 1.00 0.00 H new ATOM 0 HB THR A 117 14.114 -2.381 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.684 -2.136 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.933 -4.204 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.169 -4.858 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.553 -4.885 -9.294 1.00 0.00 H new ATOM 608 N ASP A 118 12.587 -0.802 -6.403 1.00 0.00 N ATOM 609 CA ASP A 118 11.971 0.463 -6.012 1.00 0.00 C ATOM 610 C ASP A 118 11.246 1.098 -7.196 1.00 0.00 C ATOM 611 O ASP A 118 10.159 1.657 -7.041 1.00 0.00 O ATOM 612 CB ASP A 118 13.034 1.422 -5.477 1.00 0.00 C ATOM 613 CG ASP A 118 13.500 0.964 -4.098 1.00 0.00 C ATOM 614 OD1 ASP A 118 12.815 0.146 -3.504 1.00 0.00 O ATOM 615 OD2 ASP A 118 14.534 1.436 -3.656 1.00 0.00 O ATOM 0 H ASP A 118 13.603 -0.830 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 118 11.243 0.262 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.881 1.459 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.628 2.432 -5.416 1.00 0.00 H new ATOM 620 N GLU A 119 11.841 0.999 -8.381 1.00 0.00 N ATOM 621 CA GLU A 119 11.225 1.569 -9.571 1.00 0.00 C ATOM 622 C GLU A 119 9.820 1.003 -9.770 1.00 0.00 C ATOM 623 O GLU A 119 8.902 1.730 -10.151 1.00 0.00 O ATOM 624 CB GLU A 119 12.081 1.275 -10.802 1.00 0.00 C ATOM 625 CG GLU A 119 13.396 2.047 -10.701 1.00 0.00 C ATOM 626 CD GLU A 119 14.292 1.720 -11.891 1.00 0.00 C ATOM 627 OE1 GLU A 119 14.340 0.563 -12.275 1.00 0.00 O ATOM 628 OE2 GLU A 119 14.918 2.635 -12.401 1.00 0.00 O ATOM 0 H GLU A 119 12.736 0.536 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 119 11.153 2.648 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.279 0.206 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.546 1.562 -11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.196 3.118 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.906 1.792 -9.772 1.00 0.00 H new ATOM 635 N GLU A 120 9.638 -0.287 -9.492 1.00 0.00 N ATOM 636 CA GLU A 120 8.331 -0.893 -9.641 1.00 0.00 C ATOM 637 C GLU A 120 7.386 -0.375 -8.560 1.00 0.00 C ATOM 638 O GLU A 120 6.255 0.013 -8.848 1.00 0.00 O ATOM 639 CB GLU A 120 8.453 -2.420 -9.542 1.00 0.00 C ATOM 640 CG GLU A 120 9.305 -2.937 -10.703 1.00 0.00 C ATOM 641 CD GLU A 120 8.591 -2.688 -12.029 1.00 0.00 C ATOM 642 OE1 GLU A 120 7.381 -2.530 -12.005 1.00 0.00 O ATOM 643 OE2 GLU A 120 9.263 -2.657 -13.045 1.00 0.00 O ATOM 0 H GLU A 120 10.371 -0.918 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 120 7.926 -0.629 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.907 -2.699 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.464 -2.878 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.274 -2.438 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.495 -4.003 -10.578 1.00 0.00 H new ATOM 650 N VAL A 121 7.861 -0.354 -7.316 1.00 0.00 N ATOM 651 CA VAL A 121 7.031 0.127 -6.220 1.00 0.00 C ATOM 652 C VAL A 121 6.690 1.599 -6.425 1.00 0.00 C ATOM 653 O VAL A 121 5.527 1.989 -6.341 1.00 0.00 O ATOM 654 CB VAL A 121 7.764 -0.060 -4.883 1.00 0.00 C ATOM 655 CG1 VAL A 121 6.959 0.596 -3.757 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.917 -1.555 -4.593 1.00 0.00 C ATOM 0 H VAL A 121 8.797 -0.658 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 121 6.106 -0.450 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 121 8.748 0.405 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.482 0.462 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.848 1.661 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.974 0.133 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.437 -1.690 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.932 -2.017 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.492 -2.024 -5.392 1.00 0.00 H new ATOM 666 N GLU A 122 7.700 2.413 -6.719 1.00 0.00 N ATOM 667 CA GLU A 122 7.468 3.833 -6.939 1.00 0.00 C ATOM 668 C GLU A 122 6.432 4.035 -8.041 1.00 0.00 C ATOM 669 O GLU A 122 5.594 4.930 -7.960 1.00 0.00 O ATOM 670 CB GLU A 122 8.776 4.529 -7.320 1.00 0.00 C ATOM 671 CG GLU A 122 9.713 4.571 -6.110 1.00 0.00 C ATOM 672 CD GLU A 122 11.046 5.191 -6.512 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.176 5.567 -7.666 1.00 0.00 O ATOM 674 OE2 GLU A 122 11.914 5.283 -5.662 1.00 0.00 O ATOM 0 H GLU A 122 8.672 2.118 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 122 7.090 4.270 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.254 3.999 -8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.572 5.541 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.259 5.151 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.871 3.563 -5.726 1.00 0.00 H new ATOM 681 N GLN A 123 6.480 3.187 -9.061 1.00 0.00 N ATOM 682 CA GLN A 123 5.519 3.288 -10.153 1.00 0.00 C ATOM 683 C GLN A 123 4.115 2.933 -9.662 1.00 0.00 C ATOM 684 O GLN A 123 3.138 3.582 -10.038 1.00 0.00 O ATOM 685 CB GLN A 123 5.924 2.354 -11.300 1.00 0.00 C ATOM 686 CG GLN A 123 4.974 2.549 -12.486 1.00 0.00 C ATOM 687 CD GLN A 123 5.124 3.958 -13.048 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.228 4.499 -13.076 1.00 0.00 O ATOM 689 NE2 GLN A 123 4.075 4.586 -13.501 1.00 0.00 N ATOM 0 H GLN A 123 7.161 2.434 -9.155 1.00 0.00 H new ATOM 0 HA GLN A 123 5.513 4.316 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.950 2.561 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.895 1.317 -10.965 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.191 1.814 -13.261 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.944 2.383 -12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.161 4.135 -13.477 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.169 5.528 -13.880 1.00 0.00 H new ATOM 698 N MET A 124 4.011 1.902 -8.826 1.00 0.00 N ATOM 699 CA MET A 124 2.720 1.491 -8.312 1.00 0.00 C ATOM 700 C MET A 124 2.121 2.588 -7.440 1.00 0.00 C ATOM 701 O MET A 124 0.943 2.919 -7.565 1.00 0.00 O ATOM 702 CB MET A 124 2.881 0.199 -7.510 1.00 0.00 C ATOM 703 CG MET A 124 1.514 -0.282 -7.040 1.00 0.00 C ATOM 704 SD MET A 124 1.636 -1.999 -6.474 1.00 0.00 S ATOM 705 CE MET A 124 2.913 -1.744 -5.219 1.00 0.00 C ATOM 0 H MET A 124 4.800 1.345 -8.497 1.00 0.00 H new ATOM 0 HA MET A 124 2.042 1.313 -9.146 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.356 -0.566 -8.124 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.533 0.369 -6.653 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.152 0.353 -6.232 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.791 -0.207 -7.853 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.897 -2.572 -4.510 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.890 -1.696 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.722 -0.810 -4.690 1.00 0.00 H new ATOM 715 N ILE A 125 2.939 3.171 -6.570 1.00 0.00 N ATOM 716 CA ILE A 125 2.463 4.242 -5.706 1.00 0.00 C ATOM 717 C ILE A 125 2.016 5.432 -6.554 1.00 0.00 C ATOM 718 O ILE A 125 0.926 5.971 -6.367 1.00 0.00 O ATOM 719 CB ILE A 125 3.583 4.668 -4.750 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.102 3.437 -3.973 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.059 5.733 -3.774 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.164 3.093 -2.809 1.00 0.00 C ATOM 0 H ILE A 125 3.921 2.924 -6.446 1.00 0.00 H new ATOM 0 HA ILE A 125 1.614 3.885 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 125 4.405 5.094 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.182 2.583 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.103 3.637 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.860 6.032 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.714 6.602 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.231 5.322 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.549 2.223 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.106 3.941 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.170 2.870 -3.196 1.00 0.00 H new ATOM 734 N LYS A 126 2.869 5.822 -7.493 1.00 0.00 N ATOM 735 CA LYS A 126 2.552 6.939 -8.375 1.00 0.00 C ATOM 736 C LYS A 126 1.339 6.618 -9.238 1.00 0.00 C ATOM 737 O LYS A 126 0.450 7.452 -9.411 1.00 0.00 O ATOM 738 CB LYS A 126 3.753 7.244 -9.258 1.00 0.00 C ATOM 739 CG LYS A 126 4.912 7.739 -8.393 1.00 0.00 C ATOM 740 CD LYS A 126 4.784 9.249 -8.175 1.00 0.00 C ATOM 741 CE LYS A 126 5.955 9.747 -7.331 1.00 0.00 C ATOM 742 NZ LYS A 126 7.224 9.582 -8.094 1.00 0.00 N ATOM 0 H LYS A 126 3.776 5.387 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 126 2.316 7.811 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.051 6.350 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.490 7.999 -9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.909 7.222 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.862 7.511 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.769 9.765 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.841 9.476 -7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.809 10.795 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.006 9.190 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.954 10.206 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.541 8.593 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.065 9.832 -9.091 1.00 0.00 H new ATOM 756 N GLU A 127 1.300 5.402 -9.767 1.00 0.00 N ATOM 757 CA GLU A 127 0.184 4.984 -10.606 1.00 0.00 C ATOM 758 C GLU A 127 -1.088 4.844 -9.783 1.00 0.00 C ATOM 759 O GLU A 127 -2.185 5.139 -10.259 1.00 0.00 O ATOM 760 CB GLU A 127 0.507 3.650 -11.259 1.00 0.00 C ATOM 761 CG GLU A 127 -0.553 3.323 -12.315 1.00 0.00 C ATOM 762 CD GLU A 127 -0.209 2.011 -13.013 1.00 0.00 C ATOM 763 OE1 GLU A 127 0.627 1.289 -12.495 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.788 1.746 -14.052 1.00 0.00 O ATOM 0 H GLU A 127 2.021 4.693 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 127 0.026 5.744 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.494 3.689 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.538 2.863 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.534 3.248 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.610 4.129 -13.046 1.00 0.00 H new ATOM 771 N ALA A 128 -0.939 4.379 -8.552 1.00 0.00 N ATOM 772 CA ALA A 128 -2.099 4.193 -7.682 1.00 0.00 C ATOM 773 C ALA A 128 -2.555 5.515 -7.092 1.00 0.00 C ATOM 774 O ALA A 128 -3.732 5.696 -6.785 1.00 0.00 O ATOM 775 CB ALA A 128 -1.763 3.220 -6.554 1.00 0.00 C ATOM 0 H ALA A 128 -0.043 4.126 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.908 3.783 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.635 3.090 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.477 2.257 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.936 3.617 -5.965 1.00 0.00 H new ATOM 781 N ASP A 129 -1.620 6.438 -6.918 1.00 0.00 N ATOM 782 CA ASP A 129 -1.961 7.734 -6.339 1.00 0.00 C ATOM 783 C ASP A 129 -2.584 8.656 -7.370 1.00 0.00 C ATOM 784 O ASP A 129 -2.000 8.925 -8.418 1.00 0.00 O ATOM 785 CB ASP A 129 -0.716 8.399 -5.786 1.00 0.00 C ATOM 786 CG ASP A 129 -0.268 7.710 -4.506 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.114 7.145 -3.832 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.917 7.753 -4.219 1.00 0.00 O ATOM 0 H ASP A 129 -0.637 6.320 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.683 7.556 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.083 8.360 -6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.916 9.452 -5.588 1.00 0.00 H new ATOM 793 N LEU A 130 -3.775 9.145 -7.064 1.00 0.00 N ATOM 794 CA LEU A 130 -4.465 10.051 -7.978 1.00 0.00 C ATOM 795 C LEU A 130 -4.027 11.495 -7.760 1.00 0.00 C ATOM 796 O LEU A 130 -4.253 12.358 -8.612 1.00 0.00 O ATOM 797 CB LEU A 130 -5.985 9.945 -7.792 1.00 0.00 C ATOM 798 CG LEU A 130 -6.367 10.209 -6.321 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.860 11.652 -6.155 1.00 0.00 C ATOM 800 CD2 LEU A 130 -7.485 9.244 -5.904 1.00 0.00 C ATOM 0 H LEU A 130 -4.281 8.936 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.202 9.757 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.488 10.663 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.326 8.954 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 130 -5.489 10.055 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.127 11.828 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -6.069 12.343 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -7.734 11.813 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -7.756 9.429 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.356 9.400 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -7.137 8.216 -6.011 1.00 0.00 H new ATOM 812 N ASP A 131 -3.411 11.770 -6.614 1.00 0.00 N ATOM 813 CA ASP A 131 -2.966 13.127 -6.306 1.00 0.00 C ATOM 814 C ASP A 131 -1.447 13.215 -6.237 1.00 0.00 C ATOM 815 O ASP A 131 -0.902 14.196 -5.732 1.00 0.00 O ATOM 816 CB ASP A 131 -3.553 13.575 -4.966 1.00 0.00 C ATOM 817 CG ASP A 131 -3.102 12.626 -3.861 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.118 11.939 -4.065 1.00 0.00 O ATOM 819 OD2 ASP A 131 -3.749 12.604 -2.826 1.00 0.00 O ATOM 0 H ASP A 131 -3.210 11.080 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.314 13.779 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.231 14.591 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.641 13.591 -5.023 1.00 0.00 H new ATOM 824 N GLY A 132 -0.752 12.196 -6.734 1.00 0.00 N ATOM 825 CA GLY A 132 0.704 12.214 -6.702 1.00 0.00 C ATOM 826 C GLY A 132 1.222 12.756 -5.368 1.00 0.00 C ATOM 827 O GLY A 132 2.268 13.401 -5.322 1.00 0.00 O ATOM 0 H GLY A 132 -1.164 11.364 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.086 11.206 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.081 12.830 -7.519 1.00 0.00 H new ATOM 831 N ASP A 133 0.489 12.502 -4.281 1.00 0.00 N ATOM 832 CA ASP A 133 0.918 12.982 -2.968 1.00 0.00 C ATOM 833 C ASP A 133 2.068 12.131 -2.441 1.00 0.00 C ATOM 834 O ASP A 133 2.819 12.556 -1.564 1.00 0.00 O ATOM 835 CB ASP A 133 -0.250 12.921 -1.985 1.00 0.00 C ATOM 836 CG ASP A 133 -0.753 11.486 -1.873 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.069 10.600 -2.359 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.812 11.294 -1.301 1.00 0.00 O ATOM 0 H ASP A 133 -0.386 11.978 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 133 1.256 14.013 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.066 13.283 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.056 13.574 -2.321 1.00 0.00 H new ATOM 843 N GLY A 134 2.212 10.927 -2.989 1.00 0.00 N ATOM 844 CA GLY A 134 3.282 10.030 -2.572 1.00 0.00 C ATOM 845 C GLY A 134 2.771 9.044 -1.544 1.00 0.00 C ATOM 846 O GLY A 134 3.485 8.130 -1.133 1.00 0.00 O ATOM 0 H GLY A 134 1.605 10.553 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.674 9.494 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.107 10.607 -2.154 1.00 0.00 H new ATOM 850 N GLN A 135 1.531 9.248 -1.108 1.00 0.00 N ATOM 851 CA GLN A 135 0.927 8.395 -0.107 1.00 0.00 C ATOM 852 C GLN A 135 -0.292 7.681 -0.680 1.00 0.00 C ATOM 853 O GLN A 135 -1.164 8.313 -1.278 1.00 0.00 O ATOM 854 CB GLN A 135 0.500 9.265 1.074 1.00 0.00 C ATOM 855 CG GLN A 135 1.723 9.659 1.902 1.00 0.00 C ATOM 856 CD GLN A 135 2.328 8.427 2.568 1.00 0.00 C ATOM 857 OE1 GLN A 135 1.546 7.542 3.126 1.00 0.00 O flip ATOM 858 NE2 GLN A 135 3.547 8.264 2.575 1.00 0.00 N flip ATOM 0 H GLN A 135 0.928 10.002 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 135 1.648 7.643 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -0.008 10.159 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.212 8.723 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.465 10.137 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.438 10.388 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.157 8.956 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.948 7.437 3.017 1.00 0.00 H new ATOM 867 N VAL A 136 -0.363 6.367 -0.475 1.00 0.00 N ATOM 868 CA VAL A 136 -1.506 5.612 -0.963 1.00 0.00 C ATOM 869 C VAL A 136 -2.656 5.786 0.027 1.00 0.00 C ATOM 870 O VAL A 136 -2.531 5.406 1.192 1.00 0.00 O ATOM 871 CB VAL A 136 -1.145 4.131 -1.091 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.383 3.320 -1.486 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.076 3.968 -2.170 1.00 0.00 C ATOM 0 H VAL A 136 0.342 5.817 0.015 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.800 5.978 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.770 3.770 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.115 2.267 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.153 3.436 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.763 3.679 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.186 2.914 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.461 4.335 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.811 4.538 -1.893 1.00 0.00 H new ATOM 883 N ASN A 137 -3.776 6.361 -0.422 1.00 0.00 N ATOM 884 CA ASN A 137 -4.929 6.561 0.467 1.00 0.00 C ATOM 885 C ASN A 137 -5.904 5.394 0.330 1.00 0.00 C ATOM 886 O ASN A 137 -5.755 4.557 -0.559 1.00 0.00 O ATOM 887 CB ASN A 137 -5.639 7.880 0.119 1.00 0.00 C ATOM 888 CG ASN A 137 -6.592 8.282 1.242 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.342 7.990 2.410 1.00 0.00 O ATOM 890 ND2 ASN A 137 -7.681 8.941 0.952 1.00 0.00 N ATOM 0 H ASN A 137 -3.910 6.692 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.576 6.609 1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.902 8.667 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.192 7.768 -0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.325 9.214 1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.888 9.183 -0.017 1.00 0.00 H new ATOM 897 N TYR A 138 -6.894 5.327 1.216 1.00 0.00 N ATOM 898 CA TYR A 138 -7.856 4.234 1.171 1.00 0.00 C ATOM 899 C TYR A 138 -8.453 4.086 -0.230 1.00 0.00 C ATOM 900 O TYR A 138 -8.492 2.985 -0.775 1.00 0.00 O ATOM 901 CB TYR A 138 -8.979 4.492 2.170 1.00 0.00 C ATOM 902 CG TYR A 138 -9.941 3.330 2.156 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.569 2.105 2.726 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.207 3.475 1.580 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.462 1.030 2.716 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.100 2.401 1.570 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.729 1.177 2.139 1.00 0.00 C ATOM 908 OH TYR A 138 -12.612 0.115 2.131 1.00 0.00 O ATOM 0 H TYR A 138 -7.049 6.005 1.962 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.334 3.312 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.567 4.625 3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.502 5.414 1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.592 1.992 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.495 4.419 1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.175 0.085 3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.077 2.515 1.123 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.446 0.386 1.693 1.00 0.00 H new ATOM 918 N GLU A 139 -8.920 5.184 -0.821 1.00 0.00 N ATOM 919 CA GLU A 139 -9.515 5.119 -2.155 1.00 0.00 C ATOM 920 C GLU A 139 -8.542 4.526 -3.160 1.00 0.00 C ATOM 921 O GLU A 139 -8.912 3.665 -3.956 1.00 0.00 O ATOM 922 CB GLU A 139 -9.930 6.524 -2.595 1.00 0.00 C ATOM 923 CG GLU A 139 -10.791 6.437 -3.855 1.00 0.00 C ATOM 924 CD GLU A 139 -12.173 5.896 -3.501 1.00 0.00 C ATOM 925 OE1 GLU A 139 -12.453 5.773 -2.319 1.00 0.00 O ATOM 926 OE2 GLU A 139 -12.930 5.611 -4.413 1.00 0.00 O ATOM 0 H GLU A 139 -8.899 6.115 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.391 4.472 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.486 7.016 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.045 7.131 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.882 7.422 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.313 5.788 -4.589 1.00 0.00 H new ATOM 933 N GLU A 140 -7.304 4.969 -3.119 1.00 0.00 N ATOM 934 CA GLU A 140 -6.308 4.440 -4.037 1.00 0.00 C ATOM 935 C GLU A 140 -6.015 2.983 -3.706 1.00 0.00 C ATOM 936 O GLU A 140 -5.842 2.162 -4.603 1.00 0.00 O ATOM 937 CB GLU A 140 -5.022 5.285 -3.971 1.00 0.00 C ATOM 938 CG GLU A 140 -5.349 6.720 -4.362 1.00 0.00 C ATOM 939 CD GLU A 140 -4.396 7.690 -3.687 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.413 7.236 -3.136 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.649 8.873 -3.755 1.00 0.00 O ATOM 0 H GLU A 140 -6.963 5.681 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.698 4.491 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.604 5.255 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.267 4.875 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.283 6.831 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.375 6.954 -4.079 1.00 0.00 H new ATOM 948 N PHE A 141 -5.967 2.654 -2.418 1.00 0.00 N ATOM 949 CA PHE A 141 -5.712 1.276 -2.017 1.00 0.00 C ATOM 950 C PHE A 141 -6.841 0.395 -2.542 1.00 0.00 C ATOM 951 O PHE A 141 -6.602 -0.630 -3.178 1.00 0.00 O ATOM 952 CB PHE A 141 -5.626 1.180 -0.494 1.00 0.00 C ATOM 953 CG PHE A 141 -5.240 -0.222 -0.087 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.944 -0.690 -0.339 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.174 -1.052 0.542 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.585 -1.989 0.036 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.815 -2.351 0.916 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.520 -2.819 0.664 1.00 0.00 C ATOM 0 H PHE A 141 -6.099 3.310 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.763 0.939 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.892 1.892 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.585 1.446 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.222 -0.048 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.172 -0.690 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.586 -2.351 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.537 -2.993 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.242 -3.821 0.955 1.00 0.00 H new ATOM 968 N VAL A 142 -8.074 0.801 -2.270 1.00 0.00 N ATOM 969 CA VAL A 142 -9.222 0.039 -2.736 1.00 0.00 C ATOM 970 C VAL A 142 -9.186 -0.049 -4.257 1.00 0.00 C ATOM 971 O VAL A 142 -9.333 -1.124 -4.832 1.00 0.00 O ATOM 972 CB VAL A 142 -10.520 0.724 -2.287 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.718 0.081 -2.990 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.684 0.588 -0.769 1.00 0.00 C ATOM 0 H VAL A 142 -8.302 1.640 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.186 -0.965 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.471 1.780 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.636 0.572 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.608 0.190 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.764 -0.978 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.607 1.077 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.724 -0.468 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.838 1.058 -0.268 1.00 0.00 H new ATOM 984 N LYS A 143 -8.963 1.086 -4.893 1.00 0.00 N ATOM 985 CA LYS A 143 -8.884 1.134 -6.343 1.00 0.00 C ATOM 986 C LYS A 143 -7.718 0.271 -6.825 1.00 0.00 C ATOM 987 O LYS A 143 -7.874 -0.561 -7.717 1.00 0.00 O ATOM 988 CB LYS A 143 -8.682 2.580 -6.774 1.00 0.00 C ATOM 989 CG LYS A 143 -8.836 2.700 -8.295 1.00 0.00 C ATOM 990 CD LYS A 143 -10.314 2.903 -8.645 1.00 0.00 C ATOM 991 CE LYS A 143 -10.646 4.398 -8.611 1.00 0.00 C ATOM 992 NZ LYS A 143 -10.001 5.077 -9.769 1.00 0.00 N ATOM 0 H LYS A 143 -8.833 1.986 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.805 0.748 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.408 3.222 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.693 2.923 -6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.245 3.537 -8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -8.456 1.802 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -10.524 2.495 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -10.944 2.364 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -11.726 4.542 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -10.296 4.838 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -10.558 5.914 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -9.038 5.370 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.956 4.421 -10.575 1.00 0.00 H new ATOM 1006 N MET A 144 -6.557 0.459 -6.212 1.00 0.00 N ATOM 1007 CA MET A 144 -5.382 -0.336 -6.574 1.00 0.00 C ATOM 1008 C MET A 144 -5.649 -1.793 -6.266 1.00 0.00 C ATOM 1009 O MET A 144 -5.273 -2.692 -7.023 1.00 0.00 O ATOM 1010 CB MET A 144 -4.166 0.121 -5.758 1.00 0.00 C ATOM 1011 CG MET A 144 -2.873 -0.535 -6.275 1.00 0.00 C ATOM 1012 SD MET A 144 -1.459 0.113 -5.338 1.00 0.00 S ATOM 1013 CE MET A 144 -1.909 -0.557 -3.717 1.00 0.00 C ATOM 0 H MET A 144 -6.400 1.143 -5.472 1.00 0.00 H new ATOM 0 HA MET A 144 -5.180 -0.204 -7.637 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.074 1.206 -5.813 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.312 -0.134 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.932 -1.618 -6.166 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.746 -0.328 -7.338 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.007 -0.720 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.558 0.149 -3.199 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.434 -1.504 -3.847 1.00 0.00 H new ATOM 1023 N MET A 145 -6.294 -2.024 -5.134 1.00 0.00 N ATOM 1024 CA MET A 145 -6.592 -3.378 -4.731 1.00 0.00 C ATOM 1025 C MET A 145 -7.543 -4.016 -5.738 1.00 0.00 C ATOM 1026 O MET A 145 -7.396 -5.187 -6.090 1.00 0.00 O ATOM 1027 CB MET A 145 -7.216 -3.405 -3.330 1.00 0.00 C ATOM 1028 CG MET A 145 -7.461 -4.857 -2.890 1.00 0.00 C ATOM 1029 SD MET A 145 -5.878 -5.732 -2.764 1.00 0.00 S ATOM 1030 CE MET A 145 -5.684 -5.619 -0.966 1.00 0.00 C ATOM 0 H MET A 145 -6.615 -1.301 -4.490 1.00 0.00 H new ATOM 0 HA MET A 145 -5.661 -3.945 -4.701 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.556 -2.908 -2.619 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.156 -2.853 -3.331 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.975 -4.874 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 145 -8.110 -5.360 -3.607 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.633 -5.467 -0.722 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.269 -4.780 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 145 -6.034 -6.542 -0.504 1.00 0.00 H new ATOM 1040 N MET A 146 -8.513 -3.240 -6.213 1.00 0.00 N ATOM 1041 CA MET A 146 -9.462 -3.746 -7.187 1.00 0.00 C ATOM 1042 C MET A 146 -8.737 -4.144 -8.463 1.00 0.00 C ATOM 1043 O MET A 146 -9.078 -5.141 -9.093 1.00 0.00 O ATOM 1044 CB MET A 146 -10.520 -2.683 -7.493 1.00 0.00 C ATOM 1045 CG MET A 146 -11.566 -2.653 -6.373 1.00 0.00 C ATOM 1046 SD MET A 146 -12.698 -1.265 -6.633 1.00 0.00 S ATOM 1047 CE MET A 146 -13.493 -1.900 -8.129 1.00 0.00 C ATOM 0 H MET A 146 -8.658 -2.268 -5.940 1.00 0.00 H new ATOM 0 HA MET A 146 -9.956 -4.625 -6.773 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.049 -1.705 -7.589 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.001 -2.900 -8.447 1.00 0.00 H new ATOM 0 HG2 MET A 146 -12.122 -3.590 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.074 -2.557 -5.405 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.481 -1.452 -8.234 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.886 -1.648 -8.999 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.591 -2.983 -8.057 1.00 0.00 H new ATOM 1057 N THR A 147 -7.740 -3.349 -8.844 1.00 0.00 N ATOM 1058 CA THR A 147 -6.977 -3.630 -10.055 1.00 0.00 C ATOM 1059 C THR A 147 -6.324 -5.005 -9.973 1.00 0.00 C ATOM 1060 O THR A 147 -6.756 -5.945 -10.639 1.00 0.00 O ATOM 1061 CB THR A 147 -5.893 -2.555 -10.250 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.512 -1.292 -10.440 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.038 -2.892 -11.472 1.00 0.00 C ATOM 0 H THR A 147 -7.445 -2.514 -8.337 1.00 0.00 H new ATOM 0 HA THR A 147 -7.660 -3.618 -10.904 1.00 0.00 H new ATOM 0 HB THR A 147 -5.256 -2.523 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.957 -1.018 -9.611 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.273 -2.127 -11.603 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.560 -3.861 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 147 -5.670 -2.929 -12.359 1.00 0.00 H new