USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 402 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 108 MET CE :methyl 143:sc= -0.472 (180deg=-1.93) USER MOD Single : A 111 LYS NZ :NH3+ -146:sc= 0.969 (180deg=-0.196) USER MOD Single : A 113 SER OG : rot 101:sc= 1.3 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.751! C(o=-0.75!,f=-6.5!) USER MOD Single : A 122 MET CE :methyl 177:sc= -5.41! (180deg=-5.62!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot 88:sc= 1.23 USER MOD Single : B 108 MET CE :methyl 147:sc= -0.438 (180deg=-1.93) USER MOD Single : B 111 LYS NZ :NH3+ -154:sc= 1.02 (180deg=-0.296) USER MOD Single : B 113 SER OG : rot 94:sc= 1.28 USER MOD Single : B 117 SER OG : rot -28:sc= 0.0139 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= -0.945! C(o=-0.94!,f=-6.7!) USER MOD Single : B 122 MET CE :methyl 180:sc= -5.57! (180deg=-5.57!) USER MOD Single : B 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 126 THR OG1 : rot 88:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 104 -13.108 2.211 0.518 1.00 2.70 N ATOM 88 CA LEU A 104 -12.750 2.001 1.915 1.00 2.55 C ATOM 89 C LEU A 104 -12.856 0.522 2.318 1.00 2.53 C ATOM 90 O LEU A 104 -11.890 -0.042 2.835 1.00 2.25 O ATOM 91 CB LEU A 104 -13.636 2.881 2.804 1.00 2.85 C ATOM 92 CG LEU A 104 -13.456 2.707 4.311 1.00 2.83 C ATOM 93 CD1 LEU A 104 -12.032 3.044 4.721 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.452 3.584 5.051 1.00 3.18 C ATOM 0 HA LEU A 104 -11.707 2.287 2.051 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.445 3.925 2.554 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.678 2.679 2.557 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.643 1.666 4.573 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.923 2.914 5.798 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.338 2.382 4.204 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.812 4.078 4.456 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -14.320 3.457 6.126 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -14.285 4.628 4.786 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.466 3.297 4.773 1.00 3.18 H new ATOM 106 N PRO A 105 -14.014 -0.143 2.100 1.00 2.88 N ATOM 107 CA PRO A 105 -14.164 -1.569 2.412 1.00 2.95 C ATOM 108 C PRO A 105 -13.225 -2.445 1.582 1.00 2.65 C ATOM 109 O PRO A 105 -12.831 -3.530 2.011 1.00 2.62 O ATOM 110 CB PRO A 105 -15.627 -1.870 2.079 1.00 3.43 C ATOM 111 CG PRO A 105 -16.009 -0.804 1.120 1.00 3.51 C ATOM 112 CD PRO A 105 -15.268 0.417 1.570 1.00 3.28 C ATOM 0 HA PRO A 105 -13.908 -1.785 3.449 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.739 -2.861 1.639 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.252 -1.845 2.972 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.736 -1.076 0.100 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -17.086 -0.636 1.128 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -15.087 1.107 0.746 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.820 0.968 2.332 1.00 3.28 H new ATOM 120 N GLU A 106 -12.883 -1.980 0.387 1.00 2.53 N ATOM 121 CA GLU A 106 -11.902 -2.670 -0.431 1.00 2.35 C ATOM 122 C GLU A 106 -10.552 -2.691 0.278 1.00 1.89 C ATOM 123 O GLU A 106 -9.891 -3.726 0.359 1.00 1.84 O ATOM 124 CB GLU A 106 -11.754 -1.988 -1.791 1.00 2.43 C ATOM 125 CG GLU A 106 -12.992 -2.074 -2.664 1.00 2.88 C ATOM 126 CD GLU A 106 -12.747 -1.565 -4.070 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.013 -2.313 -5.032 1.00 3.62 O ATOM 128 OE2 GLU A 106 -12.268 -0.422 -4.219 1.00 3.70 O ATOM 0 H GLU A 106 -13.269 -1.134 -0.032 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.247 -3.692 -0.587 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.505 -0.938 -1.634 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.916 -2.439 -2.322 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.329 -3.110 -2.710 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.796 -1.497 -2.207 1.00 2.88 H new ATOM 135 N LEU A 107 -10.170 -1.538 0.814 1.00 1.63 N ATOM 136 CA LEU A 107 -8.903 -1.402 1.522 1.00 1.23 C ATOM 137 C LEU A 107 -8.869 -2.291 2.752 1.00 1.08 C ATOM 138 O LEU A 107 -7.892 -2.985 2.992 1.00 0.96 O ATOM 139 CB LEU A 107 -8.686 0.041 1.952 1.00 1.21 C ATOM 140 CG LEU A 107 -8.481 1.033 0.823 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.508 2.447 1.368 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.166 0.761 0.112 1.00 1.20 C ATOM 0 H LEU A 107 -10.722 -0.681 0.771 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.110 -1.706 0.838 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.546 0.360 2.541 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.817 0.080 2.609 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.290 0.920 0.101 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.360 3.154 0.552 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.471 2.636 1.842 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.712 2.569 2.103 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -7.033 1.481 -0.696 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.343 0.855 0.821 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.177 -0.248 -0.300 1.00 1.20 H new ATOM 154 N MET A 108 -9.951 -2.271 3.522 1.00 1.27 N ATOM 155 CA MET A 108 -10.028 -3.064 4.746 1.00 1.26 C ATOM 156 C MET A 108 -9.986 -4.560 4.433 1.00 1.17 C ATOM 157 O MET A 108 -9.377 -5.334 5.167 1.00 1.13 O ATOM 158 CB MET A 108 -11.283 -2.705 5.562 1.00 1.64 C ATOM 159 CG MET A 108 -12.604 -3.118 4.944 1.00 1.96 C ATOM 160 SD MET A 108 -14.022 -2.613 5.943 1.00 2.39 S ATOM 161 CE MET A 108 -13.771 -0.840 6.021 1.00 2.67 C ATOM 0 H MET A 108 -10.784 -1.717 3.323 1.00 1.27 H new ATOM 0 HA MET A 108 -9.156 -2.824 5.354 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.201 -3.169 6.545 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.297 -1.626 5.719 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.689 -2.679 3.950 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.620 -4.201 4.817 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.735 -0.334 5.978 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.268 -0.584 6.954 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.157 -0.522 5.178 1.00 2.67 H new ATOM 171 N ALA A 109 -10.604 -4.961 3.327 1.00 1.27 N ATOM 172 CA ALA A 109 -10.607 -6.366 2.939 1.00 1.30 C ATOM 173 C ALA A 109 -9.212 -6.818 2.512 1.00 0.99 C ATOM 174 O ALA A 109 -8.742 -7.871 2.939 1.00 1.01 O ATOM 175 CB ALA A 109 -11.623 -6.621 1.837 1.00 1.60 C ATOM 0 H ALA A 109 -11.104 -4.341 2.690 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.898 -6.955 3.809 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.607 -7.676 1.564 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.619 -6.353 2.191 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.373 -6.017 0.965 1.00 1.60 H new ATOM 181 N GLU A 110 -8.556 -6.015 1.682 1.00 0.80 N ATOM 182 CA GLU A 110 -7.186 -6.316 1.269 1.00 0.62 C ATOM 183 C GLU A 110 -6.255 -6.252 2.479 1.00 0.45 C ATOM 184 O GLU A 110 -5.394 -7.102 2.669 1.00 0.55 O ATOM 185 CB GLU A 110 -6.714 -5.330 0.199 1.00 0.56 C ATOM 186 CG GLU A 110 -7.440 -5.462 -1.131 1.00 0.60 C ATOM 187 CD GLU A 110 -6.904 -4.508 -2.177 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.698 -4.001 -2.997 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.686 -4.256 -2.184 1.00 1.48 O ATOM 0 H GLU A 110 -8.943 -5.159 1.284 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.164 -7.321 0.847 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.845 -4.315 0.573 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.646 -5.474 0.034 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.345 -6.485 -1.494 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.503 -5.274 -0.982 1.00 0.60 H new ATOM 196 N LYS A 111 -6.482 -5.229 3.284 1.00 0.41 N ATOM 197 CA LYS A 111 -5.684 -5.044 4.497 1.00 0.46 C ATOM 198 C LYS A 111 -5.741 -6.278 5.394 1.00 0.47 C ATOM 199 O LYS A 111 -4.713 -6.843 5.753 1.00 0.52 O ATOM 200 CB LYS A 111 -6.165 -3.816 5.273 1.00 0.63 C ATOM 201 CG LYS A 111 -5.803 -3.843 6.749 1.00 0.79 C ATOM 202 CD LYS A 111 -6.417 -2.672 7.489 1.00 0.89 C ATOM 203 CE LYS A 111 -6.347 -2.858 8.997 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.871 -4.186 9.420 1.00 1.89 N ATOM 0 H LYS A 111 -7.199 -4.520 3.129 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.649 -4.891 4.190 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.738 -2.921 4.820 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.248 -3.737 5.175 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.147 -4.777 7.193 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.719 -3.818 6.860 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.898 -1.754 7.211 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.457 -2.555 7.185 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.314 -2.754 9.328 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.919 -2.070 9.486 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.340 -4.096 10.344 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.556 -4.529 8.716 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -6.084 -4.862 9.495 1.00 1.89 H new ATOM 218 N ASP A 112 -6.942 -6.715 5.719 1.00 0.49 N ATOM 219 CA ASP A 112 -7.120 -7.796 6.681 1.00 0.58 C ATOM 220 C ASP A 112 -6.817 -9.160 6.066 1.00 0.53 C ATOM 221 O ASP A 112 -6.742 -10.165 6.774 1.00 0.63 O ATOM 222 CB ASP A 112 -8.535 -7.767 7.262 1.00 0.72 C ATOM 223 CG ASP A 112 -8.690 -6.736 8.367 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.759 -7.132 9.550 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.734 -5.525 8.064 1.00 3.08 O ATOM 0 H ASP A 112 -7.810 -6.342 5.335 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.405 -7.639 7.489 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.247 -7.551 6.465 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.784 -8.754 7.653 1.00 0.72 H new ATOM 230 N SER A 113 -6.630 -9.195 4.755 1.00 0.44 N ATOM 231 CA SER A 113 -6.309 -10.440 4.066 1.00 0.43 C ATOM 232 C SER A 113 -4.829 -10.504 3.696 1.00 0.35 C ATOM 233 O SER A 113 -4.292 -11.577 3.416 1.00 0.40 O ATOM 234 CB SER A 113 -7.162 -10.574 2.806 1.00 0.44 C ATOM 235 OG SER A 113 -8.545 -10.506 3.114 1.00 0.55 O ATOM 0 H SER A 113 -6.694 -8.379 4.147 1.00 0.44 H new ATOM 0 HA SER A 113 -6.526 -11.265 4.744 1.00 0.43 H new ATOM 0 HB2 SER A 113 -6.904 -9.782 2.103 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.942 -11.521 2.314 1.00 0.44 H new ATOM 0 HG SER A 113 -8.883 -9.611 2.904 1.00 0.55 H new ATOM 241 N LEU A 114 -4.180 -9.353 3.696 1.00 0.27 N ATOM 242 CA LEU A 114 -2.790 -9.250 3.282 1.00 0.23 C ATOM 243 C LEU A 114 -1.875 -9.823 4.356 1.00 0.27 C ATOM 244 O LEU A 114 -2.149 -9.699 5.552 1.00 0.31 O ATOM 245 CB LEU A 114 -2.444 -7.785 3.019 1.00 0.17 C ATOM 246 CG LEU A 114 -1.244 -7.535 2.102 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.628 -7.723 0.642 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.689 -6.143 2.321 1.00 0.16 C ATOM 0 H LEU A 114 -4.598 -8.467 3.981 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.646 -9.823 2.366 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.317 -7.298 2.584 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.253 -7.300 3.976 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.472 -8.263 2.351 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.759 -7.540 0.011 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.981 -8.743 0.487 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.420 -7.021 0.381 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.163 -5.983 1.661 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.461 -5.405 2.102 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.370 -6.038 3.358 1.00 0.16 H new ATOM 260 N ASP A 115 -0.806 -10.471 3.921 1.00 0.29 N ATOM 261 CA ASP A 115 0.147 -11.088 4.835 1.00 0.34 C ATOM 262 C ASP A 115 0.993 -10.023 5.532 1.00 0.33 C ATOM 263 O ASP A 115 1.525 -9.119 4.887 1.00 0.29 O ATOM 264 CB ASP A 115 1.054 -12.059 4.074 1.00 0.37 C ATOM 265 CG ASP A 115 1.879 -12.932 4.996 1.00 0.49 C ATOM 266 OD1 ASP A 115 2.840 -12.427 5.608 1.00 1.23 O ATOM 267 OD2 ASP A 115 1.572 -14.137 5.108 1.00 1.21 O ATOM 0 H ASP A 115 -0.574 -10.585 2.934 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.411 -11.639 5.592 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.443 -12.692 3.431 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.721 -11.493 3.423 1.00 0.37 H new ATOM 272 N PRO A 116 1.133 -10.132 6.865 1.00 0.41 N ATOM 273 CA PRO A 116 1.864 -9.155 7.687 1.00 0.46 C ATOM 274 C PRO A 116 3.350 -9.073 7.344 1.00 0.42 C ATOM 275 O PRO A 116 4.028 -8.120 7.734 1.00 0.47 O ATOM 276 CB PRO A 116 1.674 -9.669 9.117 1.00 0.55 C ATOM 277 CG PRO A 116 1.381 -11.117 8.958 1.00 0.55 C ATOM 278 CD PRO A 116 0.590 -11.227 7.690 1.00 0.50 C ATOM 0 HA PRO A 116 1.488 -8.145 7.526 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.569 -9.509 9.718 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.856 -9.152 9.619 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.300 -11.700 8.899 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.816 -11.499 9.808 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.725 -12.197 7.213 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.478 -11.106 7.869 1.00 0.50 H new ATOM 286 N SER A 117 3.862 -10.076 6.631 1.00 0.36 N ATOM 287 CA SER A 117 5.264 -10.085 6.229 1.00 0.37 C ATOM 288 C SER A 117 5.562 -8.915 5.297 1.00 0.38 C ATOM 289 O SER A 117 6.717 -8.508 5.147 1.00 0.56 O ATOM 290 CB SER A 117 5.631 -11.410 5.548 1.00 0.37 C ATOM 291 OG SER A 117 7.019 -11.469 5.247 1.00 1.30 O ATOM 0 H SER A 117 3.328 -10.888 6.322 1.00 0.36 H new ATOM 0 HA SER A 117 5.872 -9.981 7.128 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.362 -12.242 6.198 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.053 -11.522 4.631 1.00 0.37 H new ATOM 0 HG SER A 117 7.224 -12.325 4.815 1.00 1.30 H new ATOM 297 N PHE A 118 4.517 -8.373 4.682 1.00 0.28 N ATOM 298 CA PHE A 118 4.651 -7.191 3.851 1.00 0.32 C ATOM 299 C PHE A 118 4.361 -5.961 4.691 1.00 0.44 C ATOM 300 O PHE A 118 3.249 -5.435 4.683 1.00 0.94 O ATOM 301 CB PHE A 118 3.694 -7.252 2.664 1.00 0.27 C ATOM 302 CG PHE A 118 3.843 -8.487 1.827 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.587 -8.463 0.662 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.228 -9.670 2.203 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.713 -9.595 -0.116 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.354 -10.805 1.432 1.00 1.23 C ATOM 307 CZ PHE A 118 4.098 -10.769 0.269 1.00 0.28 C ATOM 0 H PHE A 118 3.567 -8.738 4.746 1.00 0.28 H new ATOM 0 HA PHE A 118 5.668 -7.142 3.462 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.670 -7.196 3.032 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.855 -6.377 2.035 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.075 -7.549 0.358 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.643 -9.703 3.110 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.293 -9.563 -1.026 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.871 -11.722 1.737 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.198 -11.657 -0.337 1.00 0.28 H new ATOM 317 N THR A 119 5.374 -5.513 5.414 1.00 0.39 N ATOM 318 CA THR A 119 5.223 -4.416 6.355 1.00 0.39 C ATOM 319 C THR A 119 4.732 -3.142 5.677 1.00 0.42 C ATOM 320 O THR A 119 3.759 -2.531 6.115 1.00 0.45 O ATOM 321 CB THR A 119 6.555 -4.124 7.068 1.00 0.44 C ATOM 322 OG1 THR A 119 6.982 -5.285 7.792 1.00 0.48 O ATOM 323 CG2 THR A 119 6.415 -2.943 8.017 1.00 0.45 C ATOM 0 H THR A 119 6.318 -5.896 5.366 1.00 0.39 H new ATOM 0 HA THR A 119 4.474 -4.729 7.083 1.00 0.39 H new ATOM 0 HB THR A 119 7.301 -3.871 6.315 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.831 -5.095 8.243 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.370 -2.756 8.509 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.117 -2.058 7.455 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.658 -3.168 8.768 1.00 0.45 H new ATOM 331 N HIS A 120 5.404 -2.744 4.611 1.00 0.44 N ATOM 332 CA HIS A 120 5.096 -1.492 3.948 1.00 0.51 C ATOM 333 C HIS A 120 3.756 -1.565 3.228 1.00 0.47 C ATOM 334 O HIS A 120 2.975 -0.617 3.268 1.00 0.57 O ATOM 335 CB HIS A 120 6.211 -1.114 2.984 1.00 0.60 C ATOM 336 CG HIS A 120 7.532 -0.912 3.664 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.664 -0.289 4.887 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.779 -1.276 3.297 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.934 -0.286 5.241 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.632 -0.876 4.296 1.00 1.47 N ATOM 0 H HIS A 120 6.167 -3.271 4.187 1.00 0.44 H new ATOM 0 HA HIS A 120 5.019 -0.715 4.709 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.312 -1.895 2.231 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.935 -0.199 2.459 1.00 0.60 H new ATOM 0 HD2 HIS A 120 9.055 -1.787 2.386 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.334 0.131 6.154 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.643 -1.014 4.304 1.00 1.47 H new ATOM 349 N ALA A 121 3.495 -2.692 2.577 1.00 0.37 N ATOM 350 CA ALA A 121 2.210 -2.926 1.923 1.00 0.34 C ATOM 351 C ALA A 121 1.077 -2.846 2.931 1.00 0.38 C ATOM 352 O ALA A 121 0.025 -2.260 2.672 1.00 0.47 O ATOM 353 CB ALA A 121 2.213 -4.280 1.238 1.00 0.27 C ATOM 0 H ALA A 121 4.158 -3.462 2.487 1.00 0.37 H new ATOM 0 HA ALA A 121 2.056 -2.152 1.171 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.251 -4.445 0.754 1.00 0.27 H new ATOM 0 HB2 ALA A 121 3.005 -4.308 0.490 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.385 -5.062 1.978 1.00 0.27 H new ATOM 359 N MET A 122 1.323 -3.416 4.094 1.00 0.35 N ATOM 360 CA MET A 122 0.362 -3.404 5.180 1.00 0.34 C ATOM 361 C MET A 122 0.228 -2.003 5.766 1.00 0.39 C ATOM 362 O MET A 122 -0.869 -1.566 6.117 1.00 0.41 O ATOM 363 CB MET A 122 0.784 -4.407 6.253 1.00 0.37 C ATOM 364 CG MET A 122 0.405 -5.846 5.938 1.00 0.38 C ATOM 365 SD MET A 122 -1.243 -6.300 6.529 1.00 0.49 S ATOM 366 CE MET A 122 -2.268 -5.082 5.714 1.00 0.63 C ATOM 0 H MET A 122 2.194 -3.900 4.313 1.00 0.35 H new ATOM 0 HA MET A 122 -0.614 -3.696 4.793 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.864 -4.348 6.387 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.329 -4.122 7.202 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.451 -5.998 4.860 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.140 -6.514 6.386 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.316 -5.275 5.945 1.00 0.63 H new ATOM 0 HE2 MET A 122 -1.997 -4.086 6.063 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.117 -5.142 4.636 1.00 0.63 H new ATOM 376 N GLN A 123 1.345 -1.296 5.839 1.00 0.44 N ATOM 377 CA GLN A 123 1.354 0.059 6.371 1.00 0.53 C ATOM 378 C GLN A 123 0.618 1.020 5.441 1.00 0.54 C ATOM 379 O GLN A 123 -0.171 1.849 5.899 1.00 0.62 O ATOM 380 CB GLN A 123 2.793 0.519 6.640 1.00 0.65 C ATOM 381 CG GLN A 123 2.965 2.023 6.782 1.00 0.83 C ATOM 382 CD GLN A 123 4.414 2.424 7.002 1.00 1.12 C ATOM 383 OE1 GLN A 123 4.889 2.488 8.137 1.00 1.60 O ATOM 384 NE2 GLN A 123 5.127 2.703 5.918 1.00 1.76 N ATOM 0 H GLN A 123 2.257 -1.637 5.537 1.00 0.44 H new ATOM 0 HA GLN A 123 0.820 0.061 7.321 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.149 0.039 7.552 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.429 0.170 5.827 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.587 2.515 5.886 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.362 2.377 7.618 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.698 2.638 4.995 1.00 1.76 H new ATOM 0 HE22 GLN A 123 6.104 2.982 6.008 1.00 1.76 H new ATOM 393 N LEU A 124 0.848 0.902 4.146 1.00 0.49 N ATOM 394 CA LEU A 124 0.220 1.805 3.190 1.00 0.50 C ATOM 395 C LEU A 124 -1.292 1.577 3.130 1.00 0.45 C ATOM 396 O LEU A 124 -2.066 2.527 2.987 1.00 0.52 O ATOM 397 CB LEU A 124 0.880 1.679 1.819 1.00 0.50 C ATOM 398 CG LEU A 124 2.359 2.075 1.792 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.040 1.525 0.548 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.502 3.588 1.847 1.00 0.83 C ATOM 0 H LEU A 124 1.459 0.198 3.732 1.00 0.49 H new ATOM 0 HA LEU A 124 0.370 2.830 3.529 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.786 0.648 1.477 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.336 2.302 1.109 1.00 0.50 H new ATOM 0 HG LEU A 124 2.845 1.645 2.668 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.090 1.818 0.548 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.967 0.437 0.544 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.552 1.925 -0.341 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.559 3.855 1.827 1.00 0.83 H new ATOM 0 HD22 LEU A 124 1.999 4.032 0.988 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.050 3.963 2.765 1.00 0.83 H new ATOM 412 N LEU A 125 -1.707 0.316 3.265 1.00 0.37 N ATOM 413 CA LEU A 125 -3.128 -0.022 3.325 1.00 0.35 C ATOM 414 C LEU A 125 -3.746 0.577 4.576 1.00 0.46 C ATOM 415 O LEU A 125 -4.868 1.074 4.553 1.00 0.52 O ATOM 416 CB LEU A 125 -3.331 -1.538 3.352 1.00 0.28 C ATOM 417 CG LEU A 125 -3.282 -2.243 2.001 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.224 -3.742 2.215 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.501 -1.881 1.165 1.00 0.33 C ATOM 0 H LEU A 125 -1.080 -0.485 3.335 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.609 0.384 2.435 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.568 -1.975 3.996 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.296 -1.747 3.814 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.390 -1.919 1.465 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.189 -4.246 1.249 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.332 -3.993 2.788 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.110 -4.066 2.762 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.449 -2.393 0.204 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.406 -2.186 1.690 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.523 -0.804 1.001 1.00 0.33 H new ATOM 431 N THR A 126 -2.987 0.537 5.656 1.00 0.55 N ATOM 432 CA THR A 126 -3.473 1.040 6.926 1.00 0.74 C ATOM 433 C THR A 126 -3.687 2.548 6.846 1.00 0.92 C ATOM 434 O THR A 126 -4.739 3.066 7.226 1.00 1.07 O ATOM 435 CB THR A 126 -2.482 0.710 8.061 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.360 -0.712 8.199 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.929 1.323 9.380 1.00 0.91 C ATOM 0 H THR A 126 -2.038 0.164 5.679 1.00 0.55 H new ATOM 0 HA THR A 126 -4.424 0.554 7.145 1.00 0.74 H new ATOM 0 HB THR A 126 -1.513 1.137 7.802 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.654 -1.039 7.603 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.210 1.072 10.160 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.989 2.406 9.276 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.909 0.930 9.650 1.00 0.91 H new ATOM 445 N ALA A 127 -2.690 3.233 6.303 1.00 0.96 N ATOM 446 CA ALA A 127 -2.705 4.683 6.220 1.00 1.09 C ATOM 447 C ALA A 127 -3.848 5.198 5.350 1.00 1.18 C ATOM 448 O ALA A 127 -4.535 6.147 5.724 1.00 1.38 O ATOM 449 CB ALA A 127 -1.374 5.175 5.683 1.00 1.18 C ATOM 0 H ALA A 127 -1.854 2.801 5.910 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.866 5.073 7.225 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.386 6.263 5.621 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.573 4.859 6.351 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.205 4.757 4.691 1.00 1.18 H new ATOM 455 N GLU A 128 -4.040 4.579 4.184 1.00 1.13 N ATOM 456 CA GLU A 128 -5.085 5.007 3.255 1.00 1.31 C ATOM 457 C GLU A 128 -6.461 4.885 3.899 1.00 1.38 C ATOM 458 O GLU A 128 -7.327 5.743 3.720 1.00 1.61 O ATOM 459 CB GLU A 128 -5.047 4.187 1.969 1.00 1.35 C ATOM 460 CG GLU A 128 -5.930 4.755 0.873 1.00 1.47 C ATOM 461 CD GLU A 128 -5.334 5.978 0.209 1.00 1.46 C ATOM 462 OE1 GLU A 128 -5.019 6.959 0.915 1.00 2.02 O ATOM 463 OE2 GLU A 128 -5.180 5.965 -1.029 1.00 1.95 O ATOM 0 H GLU A 128 -3.488 3.784 3.862 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.898 6.052 3.008 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -4.020 4.135 1.609 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.360 3.166 2.187 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -6.104 3.987 0.119 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.902 5.014 1.294 1.00 1.47 H new ATOM 470 N ILE A 129 -6.644 3.825 4.672 1.00 1.24 N ATOM 471 CA ILE A 129 -7.896 3.618 5.375 1.00 1.42 C ATOM 472 C ILE A 129 -8.125 4.730 6.385 1.00 1.64 C ATOM 473 O ILE A 129 -9.232 5.252 6.503 1.00 1.92 O ATOM 474 CB ILE A 129 -7.930 2.246 6.073 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.904 1.144 5.017 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.162 2.110 6.961 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.782 -0.244 5.589 1.00 1.01 C ATOM 0 H ILE A 129 -5.944 3.100 4.826 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.699 3.637 4.638 1.00 1.42 H new ATOM 0 HB ILE A 129 -7.053 2.155 6.714 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.815 1.203 4.422 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.069 1.322 4.340 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.159 1.131 7.441 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -9.148 2.888 7.724 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -10.061 2.213 6.354 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.770 -0.972 4.778 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.857 -0.322 6.160 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.630 -0.444 6.243 1.00 1.01 H new ATOM 679 N LEU B 104 13.121 1.964 -0.346 1.00 2.70 N ATOM 680 CA LEU B 104 12.760 1.772 -1.743 1.00 2.55 C ATOM 681 C LEU B 104 12.838 0.295 -2.161 1.00 2.53 C ATOM 682 O LEU B 104 11.863 -0.245 -2.687 1.00 2.25 O ATOM 683 CB LEU B 104 13.660 2.648 -2.625 1.00 2.85 C ATOM 684 CG LEU B 104 13.476 2.492 -4.133 1.00 2.83 C ATOM 685 CD1 LEU B 104 12.058 2.857 -4.542 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.490 3.354 -4.869 1.00 3.18 C ATOM 0 HA LEU B 104 11.721 2.075 -1.876 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.486 3.692 -2.364 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.699 2.428 -2.381 1.00 2.85 H new ATOM 0 HG LEU B 104 13.643 1.449 -4.402 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.948 2.739 -5.620 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.352 2.202 -4.032 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.855 3.892 -4.268 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.354 3.238 -5.944 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.346 4.399 -4.595 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.498 3.043 -4.596 1.00 3.18 H new ATOM 698 N PRO B 105 13.982 -0.391 -1.949 1.00 2.88 N ATOM 699 CA PRO B 105 14.103 -1.815 -2.274 1.00 2.95 C ATOM 700 C PRO B 105 13.147 -2.674 -1.450 1.00 2.65 C ATOM 701 O PRO B 105 12.719 -3.739 -1.894 1.00 2.62 O ATOM 702 CB PRO B 105 15.559 -2.148 -1.945 1.00 3.43 C ATOM 703 CG PRO B 105 15.964 -1.094 -0.981 1.00 3.51 C ATOM 704 CD PRO B 105 15.244 0.144 -1.416 1.00 3.28 C ATOM 0 HA PRO B 105 13.844 -2.018 -3.313 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.652 -3.143 -1.510 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.183 -2.132 -2.839 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.692 -1.369 0.038 1.00 3.51 H new ATOM 0 HG3 PRO B 105 17.044 -0.945 -0.993 1.00 3.51 H new ATOM 0 HD2 PRO B 105 15.075 0.828 -0.585 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.803 0.694 -2.173 1.00 3.28 H new ATOM 712 N GLU B 106 12.815 -2.214 -0.248 1.00 2.53 N ATOM 713 CA GLU B 106 11.825 -2.896 0.564 1.00 2.35 C ATOM 714 C GLU B 106 10.474 -2.887 -0.142 1.00 1.89 C ATOM 715 O GLU B 106 9.795 -3.909 -0.226 1.00 1.84 O ATOM 716 CB GLU B 106 11.690 -2.223 1.930 1.00 2.43 C ATOM 717 CG GLU B 106 12.928 -2.339 2.798 1.00 2.88 C ATOM 718 CD GLU B 106 12.702 -1.850 4.212 1.00 3.33 C ATOM 719 OE1 GLU B 106 12.968 -2.613 5.159 1.00 3.62 O ATOM 720 OE2 GLU B 106 12.244 -0.703 4.385 1.00 3.71 O ATOM 0 H GLU B 106 13.215 -1.379 0.179 1.00 2.53 H new ATOM 0 HA GLU B 106 12.153 -3.925 0.709 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.459 -1.168 1.783 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.845 -2.663 2.459 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.250 -3.380 2.826 1.00 2.88 H new ATOM 0 HG3 GLU B 106 13.738 -1.767 2.346 1.00 2.88 H new ATOM 727 N LEU B 107 10.110 -1.723 -0.667 1.00 1.63 N ATOM 728 CA LEU B 107 8.846 -1.559 -1.373 1.00 1.23 C ATOM 729 C LEU B 107 8.794 -2.435 -2.613 1.00 1.08 C ATOM 730 O LEU B 107 7.804 -3.112 -2.855 1.00 0.96 O ATOM 731 CB LEU B 107 8.656 -0.108 -1.793 1.00 1.21 C ATOM 732 CG LEU B 107 8.474 0.882 -0.655 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.523 2.300 -1.187 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.156 0.630 0.054 1.00 1.19 C ATOM 0 H LEU B 107 10.675 -0.876 -0.616 1.00 1.63 H new ATOM 0 HA LEU B 107 8.050 -1.856 -0.690 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.520 0.198 -2.383 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.786 -0.048 -2.447 1.00 1.21 H new ATOM 0 HG LEU B 107 9.285 0.748 0.061 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.392 3.002 -0.364 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.487 2.476 -1.664 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.726 2.443 -1.916 1.00 1.42 H new ATOM 0 HD21 LEU B 107 7.038 1.346 0.867 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.335 0.745 -0.653 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.148 -0.382 0.458 1.00 1.19 H new ATOM 746 N MET B 108 9.873 -2.425 -3.382 1.00 1.26 N ATOM 747 CA MET B 108 9.934 -3.210 -4.610 1.00 1.26 C ATOM 748 C MET B 108 9.868 -4.708 -4.313 1.00 1.17 C ATOM 749 O MET B 108 9.253 -5.464 -5.058 1.00 1.13 O ATOM 750 CB MET B 108 11.196 -2.868 -5.421 1.00 1.64 C ATOM 751 CG MET B 108 12.504 -3.314 -4.803 1.00 1.96 C ATOM 752 SD MET B 108 13.933 -2.828 -5.789 1.00 2.39 S ATOM 753 CE MET B 108 13.710 -1.051 -5.868 1.00 2.67 C ATOM 0 H MET B 108 10.715 -1.886 -3.180 1.00 1.26 H new ATOM 0 HA MET B 108 9.064 -2.950 -5.213 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.107 -3.321 -6.408 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.232 -1.788 -5.568 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.594 -2.888 -3.804 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.497 -4.398 -4.688 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.684 -0.563 -5.890 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.155 -0.794 -6.770 1.00 2.67 H new ATOM 0 HE3 MET B 108 13.155 -0.715 -4.992 1.00 2.67 H new ATOM 763 N ALA B 109 10.478 -5.131 -3.210 1.00 1.27 N ATOM 764 CA ALA B 109 10.452 -6.541 -2.838 1.00 1.30 C ATOM 765 C ALA B 109 9.050 -6.970 -2.411 1.00 0.99 C ATOM 766 O ALA B 109 8.555 -8.010 -2.844 1.00 1.01 O ATOM 767 CB ALA B 109 11.467 -6.826 -1.740 1.00 1.60 C ATOM 0 H ALA B 109 10.989 -4.527 -2.566 1.00 1.27 H new ATOM 0 HA ALA B 109 10.726 -7.127 -3.715 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.431 -7.883 -1.477 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.467 -6.574 -2.094 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.231 -6.226 -0.861 1.00 1.60 H new ATOM 773 N GLU B 110 8.412 -6.160 -1.572 1.00 0.80 N ATOM 774 CA GLU B 110 7.037 -6.439 -1.158 1.00 0.62 C ATOM 775 C GLU B 110 6.106 -6.345 -2.367 1.00 0.45 C ATOM 776 O GLU B 110 5.223 -7.173 -2.562 1.00 0.54 O ATOM 777 CB GLU B 110 6.583 -5.453 -0.078 1.00 0.56 C ATOM 778 CG GLU B 110 7.309 -5.609 1.249 1.00 0.60 C ATOM 779 CD GLU B 110 6.795 -4.652 2.307 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.600 -4.163 3.131 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.580 -4.378 2.322 1.00 1.48 O ATOM 0 H GLU B 110 8.817 -5.315 -1.169 1.00 0.80 H new ATOM 0 HA GLU B 110 6.998 -7.446 -0.744 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.731 -4.437 -0.444 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.513 -5.580 0.088 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.195 -6.633 1.604 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.375 -5.441 1.098 1.00 0.60 H new ATOM 788 N LYS B 111 6.354 -5.322 -3.164 1.00 0.41 N ATOM 789 CA LYS B 111 5.560 -5.111 -4.374 1.00 0.46 C ATOM 790 C LYS B 111 5.590 -6.337 -5.284 1.00 0.47 C ATOM 791 O LYS B 111 4.548 -6.871 -5.657 1.00 0.52 O ATOM 792 CB LYS B 111 6.059 -3.887 -5.140 1.00 0.63 C ATOM 793 CG LYS B 111 5.693 -3.897 -6.616 1.00 0.79 C ATOM 794 CD LYS B 111 6.330 -2.733 -7.348 1.00 0.89 C ATOM 795 CE LYS B 111 6.255 -2.900 -8.856 1.00 1.15 C ATOM 796 NZ LYS B 111 6.748 -4.232 -9.301 1.00 1.89 N ATOM 0 H LYS B 111 7.086 -4.630 -3.005 1.00 0.41 H new ATOM 0 HA LYS B 111 4.530 -4.942 -4.061 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.648 -2.989 -4.679 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.143 -3.827 -5.044 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.017 -4.835 -7.067 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.610 -3.849 -6.725 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.832 -1.807 -7.060 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.373 -2.641 -7.045 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.224 -2.769 -9.183 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.844 -2.118 -9.336 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.094 -4.165 -10.280 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.523 -4.540 -8.680 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 5.972 -4.923 -9.255 1.00 1.89 H new ATOM 810 N ASP B 112 6.783 -6.797 -5.612 1.00 0.49 N ATOM 811 CA ASP B 112 6.940 -7.872 -6.584 1.00 0.58 C ATOM 812 C ASP B 112 6.619 -9.238 -5.980 1.00 0.53 C ATOM 813 O ASP B 112 6.548 -10.236 -6.696 1.00 0.63 O ATOM 814 CB ASP B 112 8.355 -7.863 -7.163 1.00 0.72 C ATOM 815 CG ASP B 112 8.530 -6.827 -8.256 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.579 -7.209 -9.443 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.606 -5.620 -7.944 1.00 3.08 O ATOM 0 H ASP B 112 7.658 -6.446 -5.223 1.00 0.49 H new ATOM 0 HA ASP B 112 6.225 -7.695 -7.388 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.070 -7.667 -6.364 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.587 -8.850 -7.563 1.00 0.72 H new ATOM 822 N SER B 113 6.426 -9.283 -4.667 1.00 0.44 N ATOM 823 CA SER B 113 6.082 -10.529 -3.990 1.00 0.43 C ATOM 824 C SER B 113 4.602 -10.570 -3.621 1.00 0.35 C ATOM 825 O SER B 113 4.044 -11.634 -3.357 1.00 0.40 O ATOM 826 CB SER B 113 6.931 -10.690 -2.732 1.00 0.44 C ATOM 827 OG SER B 113 8.312 -10.649 -3.039 1.00 0.55 O ATOM 0 H SER B 113 6.501 -8.474 -4.051 1.00 0.44 H new ATOM 0 HA SER B 113 6.285 -11.351 -4.676 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.690 -9.898 -2.023 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.691 -11.636 -2.247 1.00 0.44 H new ATOM 0 HG SER B 113 8.644 -9.734 -2.930 1.00 0.55 H new ATOM 833 N LEU B 114 3.974 -9.404 -3.608 1.00 0.27 N ATOM 834 CA LEU B 114 2.586 -9.275 -3.191 1.00 0.23 C ATOM 835 C LEU B 114 1.657 -9.825 -4.265 1.00 0.27 C ATOM 836 O LEU B 114 1.928 -9.696 -5.462 1.00 0.30 O ATOM 837 CB LEU B 114 2.267 -7.804 -2.919 1.00 0.17 C ATOM 838 CG LEU B 114 1.073 -7.541 -1.996 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.460 -7.747 -0.538 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.545 -6.137 -2.201 1.00 0.16 C ATOM 0 H LEU B 114 4.410 -8.524 -3.885 1.00 0.27 H new ATOM 0 HA LEU B 114 2.434 -9.850 -2.277 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.149 -7.335 -2.483 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.081 -7.310 -3.872 1.00 0.17 H new ATOM 0 HG LEU B 114 0.287 -8.253 -2.248 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.596 -7.555 0.098 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.797 -8.773 -0.392 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.265 -7.061 -0.275 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.303 -5.967 -1.538 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.331 -5.416 -1.977 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.226 -6.016 -3.236 1.00 0.16 H new ATOM 852 N ASP B 115 0.574 -10.455 -3.832 1.00 0.29 N ATOM 853 CA ASP B 115 -0.390 -11.046 -4.753 1.00 0.34 C ATOM 854 C ASP B 115 -1.214 -9.957 -5.441 1.00 0.33 C ATOM 855 O ASP B 115 -1.724 -9.044 -4.789 1.00 0.29 O ATOM 856 CB ASP B 115 -1.312 -12.008 -4.002 1.00 0.37 C ATOM 857 CG ASP B 115 -2.156 -12.853 -4.935 1.00 0.49 C ATOM 858 OD1 ASP B 115 -3.100 -12.318 -5.548 1.00 1.23 O ATOM 859 OD2 ASP B 115 -1.875 -14.060 -5.059 1.00 1.21 O ATOM 0 H ASP B 115 0.339 -10.571 -2.846 1.00 0.29 H new ATOM 0 HA ASP B 115 0.156 -11.601 -5.517 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.712 -12.661 -3.369 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.966 -11.438 -3.342 1.00 0.37 H new ATOM 864 N PRO B 116 -1.362 -10.053 -6.775 1.00 0.41 N ATOM 865 CA PRO B 116 -2.075 -9.053 -7.586 1.00 0.46 C ATOM 866 C PRO B 116 -3.559 -8.942 -7.241 1.00 0.42 C ATOM 867 O PRO B 116 -4.216 -7.970 -7.619 1.00 0.47 O ATOM 868 CB PRO B 116 -1.896 -9.559 -9.021 1.00 0.55 C ATOM 869 CG PRO B 116 -1.629 -11.015 -8.874 1.00 0.55 C ATOM 870 CD PRO B 116 -0.838 -11.151 -7.609 1.00 0.50 C ATOM 0 HA PRO B 116 -1.679 -8.052 -7.415 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.789 -9.378 -9.620 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.070 -9.053 -9.520 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.559 -11.581 -8.818 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.072 -11.400 -9.728 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.990 -12.123 -7.140 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.232 -11.047 -7.788 1.00 0.50 H new ATOM 878 N SER B 117 -4.088 -9.943 -6.537 1.00 0.36 N ATOM 879 CA SER B 117 -5.489 -9.930 -6.133 1.00 0.37 C ATOM 880 C SER B 117 -5.760 -8.761 -5.191 1.00 0.38 C ATOM 881 O SER B 117 -6.905 -8.336 -5.026 1.00 0.56 O ATOM 882 CB SER B 117 -5.878 -11.249 -5.457 1.00 0.37 C ATOM 883 OG SER B 117 -7.266 -11.287 -5.153 1.00 1.30 O ATOM 0 H SER B 117 -3.568 -10.768 -6.237 1.00 0.36 H new ATOM 0 HA SER B 117 -6.097 -9.811 -7.030 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.624 -12.083 -6.111 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.300 -11.375 -4.541 1.00 0.37 H new ATOM 0 HG SER B 117 -7.596 -10.375 -5.015 1.00 1.30 H new ATOM 889 N PHE B 118 -4.704 -8.247 -4.575 1.00 0.28 N ATOM 890 CA PHE B 118 -4.815 -7.070 -3.732 1.00 0.32 C ATOM 891 C PHE B 118 -4.507 -5.835 -4.562 1.00 0.44 C ATOM 892 O PHE B 118 -3.385 -5.331 -4.552 1.00 0.94 O ATOM 893 CB PHE B 118 -3.855 -7.159 -2.548 1.00 0.27 C ATOM 894 CG PHE B 118 -4.027 -8.397 -1.722 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.770 -8.369 -0.557 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.436 -9.588 -2.107 1.00 1.21 C ATOM 897 CE1 PHE B 118 -4.922 -9.506 0.209 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.585 -10.729 -1.349 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.331 -10.689 -0.186 1.00 0.28 C ATOM 0 H PHE B 118 -3.761 -8.629 -4.645 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.830 -7.007 -3.339 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.831 -7.120 -2.919 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.996 -6.286 -1.911 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.237 -7.447 -0.243 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.850 -9.623 -3.014 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.504 -9.470 1.118 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.120 -11.652 -1.663 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.451 -11.581 0.412 1.00 0.28 H new ATOM 909 N THR B 119 -5.511 -5.361 -5.279 1.00 0.39 N ATOM 910 CA THR B 119 -5.338 -4.263 -6.213 1.00 0.39 C ATOM 911 C THR B 119 -4.817 -3.007 -5.524 1.00 0.41 C ATOM 912 O THR B 119 -3.827 -2.419 -5.954 1.00 0.45 O ATOM 913 CB THR B 119 -6.665 -3.936 -6.914 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.128 -5.085 -7.633 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.504 -2.756 -7.861 1.00 0.45 C ATOM 0 H THR B 119 -6.463 -5.724 -5.231 1.00 0.39 H new ATOM 0 HA THR B 119 -4.600 -4.586 -6.948 1.00 0.39 H new ATOM 0 HB THR B 119 -7.399 -3.664 -6.156 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.975 -4.873 -8.077 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.458 -2.545 -8.345 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.180 -1.880 -7.299 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.758 -2.997 -8.619 1.00 0.45 H new ATOM 923 N HIS B 120 -5.483 -2.602 -4.458 1.00 0.44 N ATOM 924 CA HIS B 120 -5.150 -1.361 -3.783 1.00 0.51 C ATOM 925 C HIS B 120 -3.811 -1.467 -3.068 1.00 0.47 C ATOM 926 O HIS B 120 -3.011 -0.536 -3.107 1.00 0.57 O ATOM 927 CB HIS B 120 -6.258 -0.969 -2.816 1.00 0.60 C ATOM 928 CG HIS B 120 -7.573 -0.737 -3.494 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.695 -0.103 -4.717 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.828 -1.087 -3.132 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.965 -0.074 -5.068 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.672 -0.661 -4.127 1.00 1.47 N ATOM 0 H HIS B 120 -6.259 -3.116 -4.040 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.059 -0.577 -4.535 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.375 -1.754 -2.069 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.965 -0.064 -2.284 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -9.113 -1.605 -2.228 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.359 0.359 -5.976 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.685 -0.780 -4.135 1.00 1.47 H new ATOM 941 N ALA B 121 -3.571 -2.604 -2.426 1.00 0.37 N ATOM 942 CA ALA B 121 -2.293 -2.868 -1.773 1.00 0.33 C ATOM 943 C ALA B 121 -1.156 -2.798 -2.780 1.00 0.38 C ATOM 944 O ALA B 121 -0.097 -2.228 -2.516 1.00 0.47 O ATOM 945 CB ALA B 121 -2.318 -4.229 -1.101 1.00 0.27 C ATOM 0 H ALA B 121 -4.248 -3.362 -2.343 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.128 -2.105 -1.012 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.359 -4.414 -0.618 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.111 -4.251 -0.354 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.502 -5.001 -1.849 1.00 0.27 H new ATOM 951 N MET B 122 -1.413 -3.355 -3.948 1.00 0.35 N ATOM 952 CA MET B 122 -0.452 -3.353 -5.037 1.00 0.34 C ATOM 953 C MET B 122 -0.292 -1.951 -5.613 1.00 0.38 C ATOM 954 O MET B 122 0.809 -1.530 -5.969 1.00 0.41 O ATOM 955 CB MET B 122 -0.896 -4.342 -6.120 1.00 0.37 C ATOM 956 CG MET B 122 -0.548 -5.788 -5.814 1.00 0.38 C ATOM 957 SD MET B 122 1.091 -6.266 -6.408 1.00 0.49 S ATOM 958 CE MET B 122 2.140 -5.071 -5.587 1.00 0.63 C ATOM 0 H MET B 122 -2.293 -3.821 -4.170 1.00 0.35 H new ATOM 0 HA MET B 122 0.519 -3.666 -4.653 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.975 -4.259 -6.254 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.435 -4.060 -7.067 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.598 -5.947 -4.737 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.296 -6.439 -6.267 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.179 -5.249 -5.863 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.851 -4.065 -5.890 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.029 -5.171 -4.507 1.00 0.63 H new ATOM 968 N GLN B 123 -1.397 -1.224 -5.679 1.00 0.44 N ATOM 969 CA GLN B 123 -1.385 0.136 -6.201 1.00 0.53 C ATOM 970 C GLN B 123 -0.629 1.077 -5.263 1.00 0.54 C ATOM 971 O GLN B 123 0.175 1.891 -5.716 1.00 0.62 O ATOM 972 CB GLN B 123 -2.819 0.625 -6.464 1.00 0.65 C ATOM 973 CG GLN B 123 -2.964 2.136 -6.594 1.00 0.83 C ATOM 974 CD GLN B 123 -4.405 2.567 -6.814 1.00 1.12 C ATOM 975 OE1 GLN B 123 -4.879 2.652 -7.948 1.00 1.60 O ATOM 976 NE2 GLN B 123 -5.113 2.850 -5.729 1.00 1.76 N ATOM 0 H GLN B 123 -2.314 -1.552 -5.378 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.854 0.136 -7.153 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.185 0.159 -7.379 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.460 0.281 -5.652 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.579 2.613 -5.693 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.353 2.486 -7.426 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.687 2.768 -4.806 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -6.084 3.150 -5.817 1.00 1.76 H new ATOM 985 N LEU B 124 -0.862 0.956 -3.968 1.00 0.49 N ATOM 986 CA LEU B 124 -0.214 1.837 -3.006 1.00 0.50 C ATOM 987 C LEU B 124 1.294 1.579 -2.948 1.00 0.45 C ATOM 988 O LEU B 124 2.084 2.512 -2.797 1.00 0.52 O ATOM 989 CB LEU B 124 -0.875 1.711 -1.634 1.00 0.50 C ATOM 990 CG LEU B 124 -2.345 2.138 -1.603 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.037 1.591 -0.363 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.457 3.655 -1.646 1.00 0.83 C ATOM 0 H LEU B 124 -1.489 0.263 -3.558 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.343 2.867 -3.337 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.802 0.675 -1.302 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.318 2.315 -0.918 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.840 1.727 -2.482 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.081 1.906 -0.360 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.986 0.502 -0.369 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.540 1.973 0.529 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.508 3.943 -1.623 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -1.945 4.082 -0.784 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -1.998 4.028 -2.562 1.00 0.83 H new ATOM 1004 N LEU B 125 1.684 0.311 -3.092 1.00 0.37 N ATOM 1005 CA LEU B 125 3.100 -0.052 -3.156 1.00 0.35 C ATOM 1006 C LEU B 125 3.726 0.544 -4.402 1.00 0.46 C ATOM 1007 O LEU B 125 4.859 1.016 -4.378 1.00 0.52 O ATOM 1008 CB LEU B 125 3.273 -1.573 -3.193 1.00 0.28 C ATOM 1009 CG LEU B 125 3.211 -2.291 -1.849 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.125 -3.787 -2.079 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.438 -1.959 -1.015 1.00 0.33 C ATOM 0 H LEU B 125 1.042 -0.478 -3.166 1.00 0.37 H new ATOM 0 HA LEU B 125 3.591 0.339 -2.265 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.501 -1.990 -3.840 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.233 -1.797 -3.657 1.00 0.28 H new ATOM 0 HG LEU B 125 2.326 -1.958 -1.307 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.081 -4.301 -1.119 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.228 -4.016 -2.655 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.004 -4.122 -2.629 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.379 -2.479 -0.059 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.336 -2.276 -1.546 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.480 -0.884 -0.842 1.00 0.33 H new ATOM 1023 N THR B 126 2.965 0.530 -5.483 1.00 0.55 N ATOM 1024 CA THR B 126 3.459 1.033 -6.750 1.00 0.74 C ATOM 1025 C THR B 126 3.702 2.536 -6.661 1.00 0.92 C ATOM 1026 O THR B 126 4.763 3.034 -7.040 1.00 1.07 O ATOM 1027 CB THR B 126 2.461 0.729 -7.887 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.315 -0.691 -8.036 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.918 1.346 -9.202 1.00 0.91 C ATOM 0 H THR B 126 2.008 0.178 -5.508 1.00 0.55 H new ATOM 0 HA THR B 126 4.401 0.531 -6.972 1.00 0.74 H new ATOM 0 HB THR B 126 1.499 1.170 -7.625 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.613 -1.013 -7.433 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.194 1.114 -9.984 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.996 2.427 -9.089 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.891 0.939 -9.476 1.00 0.91 H new ATOM 1037 N ALA B 127 2.719 3.236 -6.112 1.00 0.96 N ATOM 1038 CA ALA B 127 2.763 4.686 -6.018 1.00 1.09 C ATOM 1039 C ALA B 127 3.918 5.172 -5.146 1.00 1.18 C ATOM 1040 O ALA B 127 4.625 6.110 -5.513 1.00 1.38 O ATOM 1041 CB ALA B 127 1.442 5.201 -5.473 1.00 1.18 C ATOM 0 H ALA B 127 1.875 2.817 -5.722 1.00 0.96 H new ATOM 0 HA ALA B 127 2.929 5.080 -7.021 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.476 6.288 -5.403 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.633 4.906 -6.141 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.267 4.779 -4.483 1.00 1.18 H new ATOM 1047 N GLU B 128 4.099 4.540 -3.983 1.00 1.12 N ATOM 1048 CA GLU B 128 5.152 4.945 -3.050 1.00 1.31 C ATOM 1049 C GLU B 128 6.525 4.801 -3.695 1.00 1.38 C ATOM 1050 O GLU B 128 7.408 5.643 -3.510 1.00 1.62 O ATOM 1051 CB GLU B 128 5.096 4.113 -1.769 1.00 1.35 C ATOM 1052 CG GLU B 128 5.987 4.652 -0.663 1.00 1.46 C ATOM 1053 CD GLU B 128 5.421 5.892 0.003 1.00 1.46 C ATOM 1054 OE1 GLU B 128 5.157 6.884 -0.702 1.00 2.01 O ATOM 1055 OE2 GLU B 128 5.255 5.879 1.242 1.00 1.95 O ATOM 0 H GLU B 128 3.534 3.752 -3.667 1.00 1.12 H new ATOM 0 HA GLU B 128 4.986 5.992 -2.796 1.00 1.31 H new ATOM 0 HB2 GLU B 128 4.067 4.077 -1.412 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.390 3.088 -1.996 1.00 1.35 H new ATOM 0 HG2 GLU B 128 6.132 3.877 0.089 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.969 4.884 -1.076 1.00 1.46 H new ATOM 1062 N ILE B 129 6.686 3.741 -4.474 1.00 1.24 N ATOM 1063 CA ILE B 129 7.932 3.514 -5.182 1.00 1.42 C ATOM 1064 C ILE B 129 8.179 4.632 -6.182 1.00 1.64 C ATOM 1065 O ILE B 129 9.293 5.140 -6.293 1.00 1.92 O ATOM 1066 CB ILE B 129 7.938 2.146 -5.894 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.895 1.035 -4.851 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.167 1.993 -6.786 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.744 -0.345 -5.436 1.00 1.01 C ATOM 0 H ILE B 129 5.972 3.029 -4.630 1.00 1.24 H new ATOM 0 HA ILE B 129 8.737 3.508 -4.447 1.00 1.42 H new ATOM 0 HB ILE B 129 7.058 2.080 -6.533 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.810 1.070 -4.259 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.066 1.222 -4.168 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.143 1.019 -7.274 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.168 2.778 -7.542 1.00 1.59 H new ATOM 0 HG23 ILE B 129 10.069 2.073 -6.179 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.721 -1.081 -4.632 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.815 -0.400 -6.004 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.586 -0.555 -6.096 1.00 1.01 H new