USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 776 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 62 SER OG : rot 131:sc= 1.3 USER MOD Set 1.2: A 90 ASN : amide:sc= 0.636 K(o=1.9,f=-0.24) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.128 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.136 X(o=0.26,f=0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.000663 X(o=-0.00066,f=-0.00066) USER MOD Single : A 63 MET CE :methyl -116:sc= -0.0311 (180deg=-0.582) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -147:sc= 1.25 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 2.52 (180deg=2.43) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -150:sc= 0.0938 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 80:sc=-0.00472 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -25:sc= -0.15 USER MOD Single : A 100 THR OG1 : rot -41:sc= 0.026 USER MOD Single : A 101 HIS : no HE2:sc= 0.649 K(o=0.65,f=-2.8!) USER MOD Single : A 106 THR OG1 : rot 20:sc= 1.43 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 155:sc= 1.27 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.499 -2.344 10.981 1.00 1.45 N ATOM 28 CA ALA A 3 15.407 -3.066 10.326 1.00 1.32 C ATOM 29 C ALA A 3 14.054 -2.865 11.048 1.00 1.14 C ATOM 30 O ALA A 3 13.019 -2.794 10.384 1.00 1.14 O ATOM 31 CB ALA A 3 15.800 -4.546 10.232 1.00 1.65 C ATOM 0 HA ALA A 3 15.257 -2.665 9.324 1.00 1.32 H new ATOM 0 HB1 ALA A 3 15.000 -5.105 9.746 1.00 1.65 H new ATOM 0 HB2 ALA A 3 16.716 -4.643 9.649 1.00 1.65 H new ATOM 0 HB3 ALA A 3 15.964 -4.943 11.234 1.00 1.65 H new ATOM 37 N LEU A 4 14.062 -2.674 12.377 1.00 1.15 N ATOM 38 CA LEU A 4 12.885 -2.305 13.183 1.00 1.07 C ATOM 39 C LEU A 4 12.415 -0.861 12.921 1.00 1.04 C ATOM 40 O LEU A 4 11.221 -0.572 12.999 1.00 1.14 O ATOM 41 CB LEU A 4 13.243 -2.470 14.676 1.00 1.20 C ATOM 42 CG LEU A 4 12.053 -2.435 15.653 1.00 1.24 C ATOM 43 CD1 LEU A 4 11.305 -3.759 15.609 1.00 1.33 C ATOM 44 CD2 LEU A 4 12.547 -2.235 17.087 1.00 1.60 C ATOM 0 H LEU A 4 14.909 -2.774 12.936 1.00 1.15 H new ATOM 0 HA LEU A 4 12.063 -2.962 12.900 1.00 1.07 H new ATOM 0 HB2 LEU A 4 13.767 -3.417 14.803 1.00 1.20 H new ATOM 0 HB3 LEU A 4 13.941 -1.680 14.953 1.00 1.20 H new ATOM 0 HG LEU A 4 11.402 -1.613 15.357 1.00 1.24 H new ATOM 0 HD11 LEU A 4 10.465 -3.726 16.303 1.00 1.33 H new ATOM 0 HD12 LEU A 4 10.935 -3.934 14.599 1.00 1.33 H new ATOM 0 HD13 LEU A 4 11.979 -4.567 15.894 1.00 1.33 H new ATOM 0 HD21 LEU A 4 11.694 -2.212 17.766 1.00 1.60 H new ATOM 0 HD22 LEU A 4 13.208 -3.057 17.362 1.00 1.60 H new ATOM 0 HD23 LEU A 4 13.091 -1.293 17.156 1.00 1.60 H new ATOM 56 N ALA A 5 13.344 0.055 12.628 1.00 1.08 N ATOM 57 CA ALA A 5 13.021 1.412 12.193 1.00 1.14 C ATOM 58 C ALA A 5 12.552 1.474 10.726 1.00 1.02 C ATOM 59 O ALA A 5 11.725 2.322 10.390 1.00 1.07 O ATOM 60 CB ALA A 5 14.223 2.321 12.478 1.00 1.38 C ATOM 0 H ALA A 5 14.346 -0.128 12.687 1.00 1.08 H new ATOM 0 HA ALA A 5 12.166 1.773 12.765 1.00 1.14 H new ATOM 0 HB1 ALA A 5 13.995 3.337 12.158 1.00 1.38 H new ATOM 0 HB2 ALA A 5 14.437 2.317 13.547 1.00 1.38 H new ATOM 0 HB3 ALA A 5 15.093 1.956 11.932 1.00 1.38 H new ATOM 66 N LYS A 6 13.016 0.567 9.845 1.00 0.95 N ATOM 67 CA LYS A 6 12.697 0.598 8.409 1.00 0.94 C ATOM 68 C LYS A 6 11.193 0.568 8.157 1.00 1.02 C ATOM 69 O LYS A 6 10.725 1.351 7.346 1.00 1.11 O ATOM 70 CB LYS A 6 13.432 -0.530 7.665 1.00 1.03 C ATOM 71 CG LYS A 6 13.230 -0.405 6.145 1.00 1.20 C ATOM 72 CD LYS A 6 14.113 -1.387 5.372 1.00 1.57 C ATOM 73 CE LYS A 6 13.871 -1.246 3.865 1.00 1.94 C ATOM 74 NZ LYS A 6 14.836 -2.057 3.088 1.00 2.45 N ATOM 0 H LYS A 6 13.623 -0.208 10.112 1.00 0.95 H new ATOM 0 HA LYS A 6 13.054 1.547 8.008 1.00 0.94 H new ATOM 0 HB2 LYS A 6 14.496 -0.493 7.899 1.00 1.03 H new ATOM 0 HB3 LYS A 6 13.064 -1.497 8.007 1.00 1.03 H new ATOM 0 HG2 LYS A 6 12.183 -0.588 5.901 1.00 1.20 H new ATOM 0 HG3 LYS A 6 13.458 0.614 5.831 1.00 1.20 H new ATOM 0 HD2 LYS A 6 15.163 -1.199 5.598 1.00 1.57 H new ATOM 0 HD3 LYS A 6 13.897 -2.408 5.688 1.00 1.57 H new ATOM 0 HE2 LYS A 6 12.854 -1.559 3.627 1.00 1.94 H new ATOM 0 HE3 LYS A 6 13.958 -0.198 3.577 1.00 1.94 H new ATOM 0 HZ1 LYS A 6 14.648 -1.941 2.072 1.00 2.45 H new ATOM 0 HZ2 LYS A 6 15.804 -1.741 3.299 1.00 2.45 H new ATOM 0 HZ3 LYS A 6 14.735 -3.059 3.347 1.00 2.45 H new ATOM 88 N LEU A 7 10.424 -0.236 8.893 1.00 1.06 N ATOM 89 CA LEU A 7 8.956 -0.305 8.774 1.00 1.21 C ATOM 90 C LEU A 7 8.263 1.059 9.006 1.00 1.35 C ATOM 91 O LEU A 7 7.204 1.320 8.430 1.00 1.60 O ATOM 92 CB LEU A 7 8.424 -1.355 9.773 1.00 1.19 C ATOM 93 CG LEU A 7 8.499 -2.846 9.380 1.00 1.16 C ATOM 94 CD1 LEU A 7 7.640 -3.170 8.160 1.00 1.22 C ATOM 95 CD2 LEU A 7 9.912 -3.342 9.098 1.00 1.16 C ATOM 0 H LEU A 7 10.802 -0.868 9.599 1.00 1.06 H new ATOM 0 HA LEU A 7 8.719 -0.594 7.750 1.00 1.21 H new ATOM 0 HB2 LEU A 7 8.970 -1.230 10.708 1.00 1.19 H new ATOM 0 HB3 LEU A 7 7.380 -1.118 9.979 1.00 1.19 H new ATOM 0 HG LEU A 7 8.117 -3.363 10.261 1.00 1.16 H new ATOM 0 HD11 LEU A 7 7.728 -4.231 7.925 1.00 1.22 H new ATOM 0 HD12 LEU A 7 6.598 -2.931 8.374 1.00 1.22 H new ATOM 0 HD13 LEU A 7 7.980 -2.580 7.309 1.00 1.22 H new ATOM 0 HD21 LEU A 7 9.880 -4.398 8.829 1.00 1.16 H new ATOM 0 HD22 LEU A 7 10.341 -2.771 8.275 1.00 1.16 H new ATOM 0 HD23 LEU A 7 10.527 -3.213 9.988 1.00 1.16 H new ATOM 107 N ILE A 8 8.841 1.933 9.837 1.00 1.29 N ATOM 108 CA ILE A 8 8.390 3.320 10.043 1.00 1.47 C ATOM 109 C ILE A 8 8.769 4.239 8.872 1.00 1.36 C ATOM 110 O ILE A 8 7.932 4.994 8.373 1.00 1.35 O ATOM 111 CB ILE A 8 8.881 3.872 11.399 1.00 1.61 C ATOM 112 CG1 ILE A 8 8.478 2.943 12.565 1.00 1.81 C ATOM 113 CG2 ILE A 8 8.348 5.294 11.629 1.00 1.74 C ATOM 114 CD1 ILE A 8 6.971 2.746 12.775 1.00 2.05 C ATOM 0 H ILE A 8 9.656 1.693 10.401 1.00 1.29 H new ATOM 0 HA ILE A 8 7.301 3.302 10.073 1.00 1.47 H new ATOM 0 HB ILE A 8 9.970 3.911 11.368 1.00 1.61 H new ATOM 0 HG12 ILE A 8 8.933 1.966 12.400 1.00 1.81 H new ATOM 0 HG13 ILE A 8 8.904 3.342 13.486 1.00 1.81 H new ATOM 0 HG21 ILE A 8 8.705 5.665 12.590 1.00 1.74 H new ATOM 0 HG22 ILE A 8 8.702 5.949 10.833 1.00 1.74 H new ATOM 0 HG23 ILE A 8 7.258 5.279 11.628 1.00 1.74 H new ATOM 0 HD11 ILE A 8 6.806 2.076 13.619 1.00 2.05 H new ATOM 0 HD12 ILE A 8 6.503 3.709 12.979 1.00 2.05 H new ATOM 0 HD13 ILE A 8 6.532 2.313 11.876 1.00 2.05 H new ATOM 126 N SER A 9 10.012 4.151 8.392 1.00 1.30 N ATOM 127 CA SER A 9 10.535 4.958 7.273 1.00 1.25 C ATOM 128 C SER A 9 10.031 4.490 5.892 1.00 1.20 C ATOM 129 O SER A 9 10.153 5.197 4.891 1.00 1.22 O ATOM 130 CB SER A 9 12.066 4.932 7.307 1.00 1.39 C ATOM 131 OG SER A 9 12.554 5.326 8.579 1.00 1.52 O ATOM 0 H SER A 9 10.702 3.505 8.775 1.00 1.30 H new ATOM 0 HA SER A 9 10.162 5.973 7.407 1.00 1.25 H new ATOM 0 HB2 SER A 9 12.421 3.929 7.072 1.00 1.39 H new ATOM 0 HB3 SER A 9 12.461 5.598 6.540 1.00 1.39 H new ATOM 0 HG SER A 9 13.534 5.300 8.576 1.00 1.52 H new ATOM 137 N LEU A 10 9.478 3.277 5.829 1.00 1.27 N ATOM 138 CA LEU A 10 8.755 2.659 4.714 1.00 1.36 C ATOM 139 C LEU A 10 7.349 3.258 4.503 1.00 1.42 C ATOM 140 O LEU A 10 6.805 3.172 3.399 1.00 1.50 O ATOM 141 CB LEU A 10 8.698 1.157 5.030 1.00 1.63 C ATOM 142 CG LEU A 10 8.089 0.243 3.962 1.00 2.05 C ATOM 143 CD1 LEU A 10 8.885 0.262 2.661 1.00 2.49 C ATOM 144 CD2 LEU A 10 8.135 -1.184 4.495 1.00 2.89 C ATOM 0 H LEU A 10 9.529 2.645 6.628 1.00 1.27 H new ATOM 0 HA LEU A 10 9.271 2.849 3.773 1.00 1.36 H new ATOM 0 HB2 LEU A 10 9.713 0.814 5.230 1.00 1.63 H new ATOM 0 HB3 LEU A 10 8.130 1.026 5.951 1.00 1.63 H new ATOM 0 HG LEU A 10 7.077 0.592 3.755 1.00 2.05 H new ATOM 0 HD11 LEU A 10 8.413 -0.401 1.936 1.00 2.49 H new ATOM 0 HD12 LEU A 10 8.908 1.277 2.263 1.00 2.49 H new ATOM 0 HD13 LEU A 10 9.904 -0.076 2.853 1.00 2.49 H new ATOM 0 HD21 LEU A 10 7.708 -1.862 3.756 1.00 2.89 H new ATOM 0 HD22 LEU A 10 9.169 -1.466 4.691 1.00 2.89 H new ATOM 0 HD23 LEU A 10 7.561 -1.246 5.419 1.00 2.89 H new ATOM 156 N GLN A 11 6.751 3.838 5.551 1.00 1.45 N ATOM 157 CA GLN A 11 5.370 4.327 5.544 1.00 1.55 C ATOM 158 C GLN A 11 5.202 5.679 4.819 1.00 1.53 C ATOM 159 O GLN A 11 6.110 6.515 4.793 1.00 1.45 O ATOM 160 CB GLN A 11 4.799 4.325 6.972 1.00 1.62 C ATOM 161 CG GLN A 11 4.182 2.967 7.330 1.00 1.50 C ATOM 162 CD GLN A 11 3.817 2.949 8.798 1.00 1.72 C ATOM 163 OE1 GLN A 11 2.773 3.425 9.220 1.00 2.14 O ATOM 164 NE2 GLN A 11 4.696 2.448 9.627 1.00 2.45 N ATOM 0 H GLN A 11 7.224 3.982 6.443 1.00 1.45 H new ATOM 0 HA GLN A 11 4.776 3.633 4.949 1.00 1.55 H new ATOM 0 HB2 GLN A 11 5.591 4.564 7.682 1.00 1.62 H new ATOM 0 HB3 GLN A 11 4.043 5.105 7.063 1.00 1.62 H new ATOM 0 HG2 GLN A 11 3.296 2.787 6.722 1.00 1.50 H new ATOM 0 HG3 GLN A 11 4.888 2.166 7.110 1.00 1.50 H new ATOM 0 HE21 GLN A 11 5.566 2.052 9.270 1.00 2.45 H new ATOM 0 HE22 GLN A 11 4.512 2.453 10.630 1.00 2.45 H new ATOM 173 N ALA A 12 4.031 5.867 4.210 1.00 1.68 N ATOM 174 CA ALA A 12 3.705 6.988 3.326 1.00 1.62 C ATOM 175 C ALA A 12 3.460 8.326 4.053 1.00 1.61 C ATOM 176 O ALA A 12 3.197 8.370 5.257 1.00 2.41 O ATOM 177 CB ALA A 12 2.479 6.583 2.496 1.00 1.98 C ATOM 0 H ALA A 12 3.253 5.218 4.323 1.00 1.68 H new ATOM 0 HA ALA A 12 4.573 7.179 2.695 1.00 1.62 H new ATOM 0 HB1 ALA A 12 2.209 7.398 1.825 1.00 1.98 H new ATOM 0 HB2 ALA A 12 2.713 5.694 1.911 1.00 1.98 H new ATOM 0 HB3 ALA A 12 1.643 6.369 3.162 1.00 1.98 H new ATOM 183 N THR A 13 3.503 9.420 3.288 1.00 1.28 N ATOM 184 CA THR A 13 3.162 10.788 3.736 1.00 1.32 C ATOM 185 C THR A 13 1.847 11.302 3.140 1.00 1.11 C ATOM 186 O THR A 13 1.074 11.954 3.849 1.00 1.07 O ATOM 187 CB THR A 13 4.294 11.775 3.398 1.00 1.48 C ATOM 188 OG1 THR A 13 4.710 11.594 2.060 1.00 2.47 O ATOM 189 CG2 THR A 13 5.520 11.542 4.279 1.00 2.16 C ATOM 0 H THR A 13 3.784 9.385 2.308 1.00 1.28 H new ATOM 0 HA THR A 13 3.034 10.727 4.817 1.00 1.32 H new ATOM 0 HB THR A 13 3.900 12.778 3.562 1.00 1.48 H new ATOM 0 HG1 THR A 13 5.429 12.227 1.853 1.00 2.47 H new ATOM 0 HG21 THR A 13 6.300 12.256 4.014 1.00 2.16 H new ATOM 0 HG22 THR A 13 5.247 11.676 5.326 1.00 2.16 H new ATOM 0 HG23 THR A 13 5.890 10.528 4.127 1.00 2.16 H new ATOM 197 N GLU A 14 1.567 10.989 1.871 1.00 1.01 N ATOM 198 CA GLU A 14 0.408 11.476 1.103 1.00 0.89 C ATOM 199 C GLU A 14 -0.293 10.369 0.283 1.00 0.81 C ATOM 200 O GLU A 14 0.332 9.366 -0.084 1.00 0.87 O ATOM 201 CB GLU A 14 0.834 12.660 0.207 1.00 0.95 C ATOM 202 CG GLU A 14 1.919 12.298 -0.824 1.00 1.05 C ATOM 203 CD GLU A 14 2.234 13.458 -1.776 1.00 1.93 C ATOM 204 OE1 GLU A 14 2.897 14.441 -1.359 1.00 2.74 O ATOM 205 OE2 GLU A 14 1.815 13.399 -2.958 1.00 3.06 O ATOM 0 H GLU A 14 2.162 10.365 1.326 1.00 1.01 H new ATOM 0 HA GLU A 14 -0.336 11.818 1.823 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -0.042 13.040 -0.319 1.00 0.95 H new ATOM 0 HB3 GLU A 14 1.201 13.468 0.839 1.00 0.95 H new ATOM 0 HG2 GLU A 14 2.829 12.004 -0.301 1.00 1.05 H new ATOM 0 HG3 GLU A 14 1.591 11.435 -1.404 1.00 1.05 H new ATOM 212 N ALA A 15 -1.586 10.548 -0.014 1.00 0.73 N ATOM 213 CA ALA A 15 -2.427 9.623 -0.785 1.00 0.70 C ATOM 214 C ALA A 15 -3.412 10.340 -1.740 1.00 0.63 C ATOM 215 O ALA A 15 -3.706 11.522 -1.562 1.00 0.69 O ATOM 216 CB ALA A 15 -3.163 8.701 0.198 1.00 0.73 C ATOM 0 H ALA A 15 -2.097 11.377 0.289 1.00 0.73 H new ATOM 0 HA ALA A 15 -1.780 9.037 -1.438 1.00 0.70 H new ATOM 0 HB1 ALA A 15 -3.793 8.006 -0.357 1.00 0.73 H new ATOM 0 HB2 ALA A 15 -2.436 8.141 0.786 1.00 0.73 H new ATOM 0 HB3 ALA A 15 -3.783 9.301 0.864 1.00 0.73 H new ATOM 222 N THR A 16 -3.947 9.615 -2.734 1.00 0.59 N ATOM 223 CA THR A 16 -4.864 10.155 -3.767 1.00 0.54 C ATOM 224 C THR A 16 -6.241 9.479 -3.734 1.00 0.47 C ATOM 225 O THR A 16 -6.400 8.362 -4.224 1.00 0.51 O ATOM 226 CB THR A 16 -4.265 10.039 -5.179 1.00 0.69 C ATOM 227 OG1 THR A 16 -2.920 10.475 -5.205 1.00 0.93 O ATOM 228 CG2 THR A 16 -5.028 10.879 -6.204 1.00 0.72 C ATOM 0 H THR A 16 -3.756 8.620 -2.850 1.00 0.59 H new ATOM 0 HA THR A 16 -4.996 11.210 -3.527 1.00 0.54 H new ATOM 0 HB THR A 16 -4.336 8.983 -5.439 1.00 0.69 H new ATOM 0 HG1 THR A 16 -2.566 10.388 -6.115 1.00 0.93 H new ATOM 0 HG21 THR A 16 -4.567 10.764 -7.185 1.00 0.72 H new ATOM 0 HG22 THR A 16 -6.065 10.545 -6.249 1.00 0.72 H new ATOM 0 HG23 THR A 16 -4.997 11.928 -5.910 1.00 0.72 H new ATOM 236 N ILE A 17 -7.249 10.158 -3.180 1.00 0.42 N ATOM 237 CA ILE A 17 -8.630 9.660 -3.050 1.00 0.44 C ATOM 238 C ILE A 17 -9.407 9.904 -4.350 1.00 0.48 C ATOM 239 O ILE A 17 -9.375 11.007 -4.889 1.00 0.53 O ATOM 240 CB ILE A 17 -9.342 10.300 -1.831 1.00 0.47 C ATOM 241 CG1 ILE A 17 -8.547 10.044 -0.526 1.00 0.48 C ATOM 242 CG2 ILE A 17 -10.787 9.773 -1.711 1.00 0.59 C ATOM 243 CD1 ILE A 17 -9.178 10.624 0.746 1.00 0.55 C ATOM 0 H ILE A 17 -7.128 11.096 -2.797 1.00 0.42 H new ATOM 0 HA ILE A 17 -8.596 8.585 -2.874 1.00 0.44 H new ATOM 0 HB ILE A 17 -9.384 11.378 -1.988 1.00 0.47 H new ATOM 0 HG12 ILE A 17 -8.429 8.968 -0.396 1.00 0.48 H new ATOM 0 HG13 ILE A 17 -7.547 10.463 -0.640 1.00 0.48 H new ATOM 0 HG21 ILE A 17 -11.272 10.233 -0.850 1.00 0.59 H new ATOM 0 HG22 ILE A 17 -11.342 10.022 -2.616 1.00 0.59 H new ATOM 0 HG23 ILE A 17 -10.770 8.691 -1.583 1.00 0.59 H new ATOM 0 HD11 ILE A 17 -8.547 10.392 1.604 1.00 0.55 H new ATOM 0 HD12 ILE A 17 -9.270 11.705 0.646 1.00 0.55 H new ATOM 0 HD13 ILE A 17 -10.166 10.188 0.894 1.00 0.55 H new ATOM 255 N VAL A 18 -10.155 8.910 -4.832 1.00 0.54 N ATOM 256 CA VAL A 18 -11.033 9.019 -6.010 1.00 0.64 C ATOM 257 C VAL A 18 -12.501 9.074 -5.575 1.00 0.77 C ATOM 258 O VAL A 18 -12.918 8.400 -4.631 1.00 1.08 O ATOM 259 CB VAL A 18 -10.772 7.878 -7.010 1.00 0.90 C ATOM 260 CG1 VAL A 18 -11.574 8.039 -8.311 1.00 1.71 C ATOM 261 CG2 VAL A 18 -9.287 7.771 -7.371 1.00 1.45 C ATOM 0 H VAL A 18 -10.171 7.983 -4.408 1.00 0.54 H new ATOM 0 HA VAL A 18 -10.803 9.950 -6.528 1.00 0.64 H new ATOM 0 HB VAL A 18 -11.097 6.969 -6.503 1.00 0.90 H new ATOM 0 HG11 VAL A 18 -11.352 7.208 -8.980 1.00 1.71 H new ATOM 0 HG12 VAL A 18 -12.640 8.047 -8.083 1.00 1.71 H new ATOM 0 HG13 VAL A 18 -11.299 8.977 -8.794 1.00 1.71 H new ATOM 0 HG21 VAL A 18 -9.143 6.955 -8.079 1.00 1.45 H new ATOM 0 HG22 VAL A 18 -8.954 8.706 -7.822 1.00 1.45 H new ATOM 0 HG23 VAL A 18 -8.706 7.576 -6.469 1.00 1.45 H new ATOM 271 N THR A 19 -13.272 9.909 -6.266 1.00 0.85 N ATOM 272 CA THR A 19 -14.647 10.308 -5.929 1.00 1.05 C ATOM 273 C THR A 19 -15.541 10.218 -7.170 1.00 1.15 C ATOM 274 O THR A 19 -15.114 10.611 -8.259 1.00 1.23 O ATOM 275 CB THR A 19 -14.641 11.750 -5.387 1.00 1.37 C ATOM 276 OG1 THR A 19 -13.603 11.936 -4.444 1.00 1.69 O ATOM 277 CG2 THR A 19 -15.927 12.130 -4.666 1.00 1.74 C ATOM 0 H THR A 19 -12.942 10.353 -7.123 1.00 0.85 H new ATOM 0 HA THR A 19 -15.041 9.636 -5.167 1.00 1.05 H new ATOM 0 HB THR A 19 -14.512 12.373 -6.272 1.00 1.37 H new ATOM 0 HG1 THR A 19 -13.620 12.860 -4.117 1.00 1.69 H new ATOM 0 HG21 THR A 19 -15.855 13.158 -4.310 1.00 1.74 H new ATOM 0 HG22 THR A 19 -16.769 12.042 -5.353 1.00 1.74 H new ATOM 0 HG23 THR A 19 -16.080 11.462 -3.818 1.00 1.74 H new ATOM 391 N LEU A 27 -15.491 10.463 -12.777 1.00 2.15 N ATOM 392 CA LEU A 27 -14.388 10.290 -11.819 1.00 1.82 C ATOM 393 C LEU A 27 -13.630 11.611 -11.565 1.00 1.67 C ATOM 394 O LEU A 27 -13.164 12.259 -12.507 1.00 2.00 O ATOM 395 CB LEU A 27 -13.412 9.191 -12.296 1.00 2.10 C ATOM 396 CG LEU A 27 -13.884 7.728 -12.139 1.00 2.41 C ATOM 397 CD1 LEU A 27 -15.017 7.326 -13.086 1.00 2.51 C ATOM 398 CD2 LEU A 27 -12.702 6.794 -12.412 1.00 3.05 C ATOM 0 HA LEU A 27 -14.831 9.979 -10.873 1.00 1.82 H new ATOM 0 HB2 LEU A 27 -13.191 9.366 -13.349 1.00 2.10 H new ATOM 0 HB3 LEU A 27 -12.476 9.307 -11.750 1.00 2.10 H new ATOM 0 HG LEU A 27 -14.266 7.644 -11.121 1.00 2.41 H new ATOM 0 HD11 LEU A 27 -15.287 6.285 -12.909 1.00 2.51 H new ATOM 0 HD12 LEU A 27 -15.884 7.961 -12.906 1.00 2.51 H new ATOM 0 HD13 LEU A 27 -14.688 7.445 -14.118 1.00 2.51 H new ATOM 0 HD21 LEU A 27 -13.024 5.758 -12.304 1.00 3.05 H new ATOM 0 HD22 LEU A 27 -12.337 6.956 -13.426 1.00 3.05 H new ATOM 0 HD23 LEU A 27 -11.903 7.001 -11.701 1.00 3.05 H new ATOM 410 N SER A 28 -13.443 11.970 -10.292 1.00 1.39 N ATOM 411 CA SER A 28 -12.743 13.180 -9.818 1.00 1.36 C ATOM 412 C SER A 28 -11.863 12.846 -8.603 1.00 1.04 C ATOM 413 O SER A 28 -12.275 12.048 -7.761 1.00 1.08 O ATOM 414 CB SER A 28 -13.799 14.229 -9.449 1.00 1.55 C ATOM 415 OG SER A 28 -13.232 15.426 -8.952 1.00 1.63 O ATOM 0 H SER A 28 -13.791 11.400 -9.521 1.00 1.39 H new ATOM 0 HA SER A 28 -12.092 13.569 -10.601 1.00 1.36 H new ATOM 0 HB2 SER A 28 -14.402 14.456 -10.328 1.00 1.55 H new ATOM 0 HB3 SER A 28 -14.472 13.812 -8.700 1.00 1.55 H new ATOM 0 HG SER A 28 -13.946 16.060 -8.734 1.00 1.63 H new ATOM 421 N GLU A 29 -10.650 13.401 -8.491 1.00 0.89 N ATOM 422 CA GLU A 29 -9.669 12.984 -7.468 1.00 0.72 C ATOM 423 C GLU A 29 -9.173 14.115 -6.544 1.00 0.68 C ATOM 424 O GLU A 29 -9.057 15.278 -6.940 1.00 0.81 O ATOM 425 CB GLU A 29 -8.475 12.221 -8.077 1.00 0.98 C ATOM 426 CG GLU A 29 -8.830 11.163 -9.135 1.00 1.18 C ATOM 427 CD GLU A 29 -8.958 11.698 -10.571 1.00 1.37 C ATOM 428 OE1 GLU A 29 -8.810 12.913 -10.831 1.00 2.18 O ATOM 429 OE2 GLU A 29 -9.184 10.887 -11.500 1.00 2.39 O ATOM 0 H GLU A 29 -10.317 14.148 -9.101 1.00 0.89 H new ATOM 0 HA GLU A 29 -10.233 12.304 -6.830 1.00 0.72 H new ATOM 0 HB2 GLU A 29 -7.796 12.945 -8.527 1.00 0.98 H new ATOM 0 HB3 GLU A 29 -7.930 11.732 -7.270 1.00 0.98 H new ATOM 0 HG2 GLU A 29 -8.067 10.385 -9.120 1.00 1.18 H new ATOM 0 HG3 GLU A 29 -9.771 10.691 -8.854 1.00 1.18 H new ATOM 436 N GLU A 30 -8.851 13.754 -5.301 1.00 0.59 N ATOM 437 CA GLU A 30 -8.349 14.617 -4.218 1.00 0.60 C ATOM 438 C GLU A 30 -6.976 14.118 -3.729 1.00 0.54 C ATOM 439 O GLU A 30 -6.756 12.907 -3.678 1.00 0.54 O ATOM 440 CB GLU A 30 -9.331 14.630 -3.023 1.00 0.66 C ATOM 441 CG GLU A 30 -10.826 14.655 -3.383 1.00 0.85 C ATOM 442 CD GLU A 30 -11.693 14.911 -2.143 1.00 1.96 C ATOM 443 OE1 GLU A 30 -11.917 16.093 -1.788 1.00 2.52 O ATOM 444 OE2 GLU A 30 -12.173 13.958 -1.482 1.00 3.40 O ATOM 0 H GLU A 30 -8.938 12.784 -4.998 1.00 0.59 H new ATOM 0 HA GLU A 30 -8.254 15.627 -4.616 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -9.139 13.749 -2.410 1.00 0.66 H new ATOM 0 HB3 GLU A 30 -9.111 15.501 -2.406 1.00 0.66 H new ATOM 0 HG2 GLU A 30 -11.011 15.431 -4.125 1.00 0.85 H new ATOM 0 HG3 GLU A 30 -11.109 13.706 -3.838 1.00 0.85 H new ATOM 451 N GLN A 31 -6.067 15.005 -3.303 1.00 0.67 N ATOM 452 CA GLN A 31 -4.805 14.593 -2.657 1.00 0.71 C ATOM 453 C GLN A 31 -4.775 14.983 -1.175 1.00 0.71 C ATOM 454 O GLN A 31 -5.074 16.124 -0.814 1.00 0.79 O ATOM 455 CB GLN A 31 -3.566 15.126 -3.378 1.00 0.87 C ATOM 456 CG GLN A 31 -3.534 14.841 -4.882 1.00 1.05 C ATOM 457 CD GLN A 31 -2.100 14.558 -5.293 1.00 1.28 C ATOM 458 OE1 GLN A 31 -1.306 15.446 -5.579 1.00 1.68 O ATOM 459 NE2 GLN A 31 -1.669 13.326 -5.177 1.00 1.59 N ATOM 0 H GLN A 31 -6.179 16.015 -3.392 1.00 0.67 H new ATOM 0 HA GLN A 31 -4.774 13.506 -2.728 1.00 0.71 H new ATOM 0 HB2 GLN A 31 -3.507 16.203 -3.224 1.00 0.87 H new ATOM 0 HB3 GLN A 31 -2.679 14.690 -2.919 1.00 0.87 H new ATOM 0 HG2 GLN A 31 -4.170 13.988 -5.119 1.00 1.05 H new ATOM 0 HG3 GLN A 31 -3.925 15.694 -5.437 1.00 1.05 H new ATOM 0 HE21 GLN A 31 -2.320 12.578 -4.939 1.00 1.59 H new ATOM 0 HE22 GLN A 31 -0.682 13.115 -5.324 1.00 1.59 H new ATOM 468 N VAL A 32 -4.398 14.039 -0.313 1.00 0.67 N ATOM 469 CA VAL A 32 -4.493 14.169 1.150 1.00 0.70 C ATOM 470 C VAL A 32 -3.240 13.678 1.877 1.00 0.74 C ATOM 471 O VAL A 32 -2.468 12.877 1.355 1.00 0.73 O ATOM 472 CB VAL A 32 -5.734 13.429 1.698 1.00 0.72 C ATOM 473 CG1 VAL A 32 -7.043 13.926 1.069 1.00 0.74 C ATOM 474 CG2 VAL A 32 -5.665 11.904 1.531 1.00 0.71 C ATOM 0 H VAL A 32 -4.010 13.144 -0.612 1.00 0.67 H new ATOM 0 HA VAL A 32 -4.590 15.237 1.347 1.00 0.70 H new ATOM 0 HB VAL A 32 -5.728 13.661 2.763 1.00 0.72 H new ATOM 0 HG11 VAL A 32 -7.882 13.372 1.490 1.00 0.74 H new ATOM 0 HG12 VAL A 32 -7.167 14.988 1.279 1.00 0.74 H new ATOM 0 HG13 VAL A 32 -7.010 13.771 -0.009 1.00 0.74 H new ATOM 0 HG21 VAL A 32 -6.570 11.452 1.938 1.00 0.71 H new ATOM 0 HG22 VAL A 32 -5.581 11.657 0.473 1.00 0.71 H new ATOM 0 HG23 VAL A 32 -4.796 11.519 2.064 1.00 0.71 H new ATOM 484 N ASP A 33 -3.086 14.107 3.127 1.00 0.83 N ATOM 485 CA ASP A 33 -2.093 13.558 4.053 1.00 0.90 C ATOM 486 C ASP A 33 -2.576 12.199 4.589 1.00 0.89 C ATOM 487 O ASP A 33 -3.777 11.984 4.762 1.00 0.87 O ATOM 488 CB ASP A 33 -1.854 14.540 5.209 1.00 1.01 C ATOM 489 CG ASP A 33 -0.783 15.577 4.878 1.00 2.02 C ATOM 490 OD1 ASP A 33 -1.012 16.454 4.011 1.00 3.39 O ATOM 491 OD2 ASP A 33 0.292 15.521 5.514 1.00 2.53 O ATOM 0 H ASP A 33 -3.652 14.853 3.532 1.00 0.83 H new ATOM 0 HA ASP A 33 -1.151 13.410 3.525 1.00 0.90 H new ATOM 0 HB2 ASP A 33 -2.787 15.049 5.449 1.00 1.01 H new ATOM 0 HB3 ASP A 33 -1.556 13.985 6.098 1.00 1.01 H new ATOM 496 N VAL A 34 -1.651 11.280 4.892 1.00 0.92 N ATOM 497 CA VAL A 34 -1.979 9.902 5.325 1.00 0.92 C ATOM 498 C VAL A 34 -2.855 9.836 6.591 1.00 0.95 C ATOM 499 O VAL A 34 -3.635 8.901 6.762 1.00 0.96 O ATOM 500 CB VAL A 34 -0.688 9.066 5.464 1.00 1.02 C ATOM 501 CG1 VAL A 34 0.175 9.500 6.655 1.00 1.17 C ATOM 502 CG2 VAL A 34 -0.973 7.563 5.563 1.00 1.07 C ATOM 0 H VAL A 34 -0.649 11.465 4.846 1.00 0.92 H new ATOM 0 HA VAL A 34 -2.598 9.464 4.542 1.00 0.92 H new ATOM 0 HB VAL A 34 -0.128 9.256 4.548 1.00 1.02 H new ATOM 0 HG11 VAL A 34 1.069 8.878 6.703 1.00 1.17 H new ATOM 0 HG12 VAL A 34 0.466 10.543 6.533 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -0.395 9.388 7.577 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -0.033 7.020 5.659 1.00 1.07 H new ATOM 0 HG22 VAL A 34 -1.596 7.368 6.436 1.00 1.07 H new ATOM 0 HG23 VAL A 34 -1.493 7.231 4.664 1.00 1.07 H new ATOM 512 N GLU A 35 -2.818 10.865 7.441 1.00 1.03 N ATOM 513 CA GLU A 35 -3.699 11.010 8.613 1.00 1.12 C ATOM 514 C GLU A 35 -5.192 11.164 8.248 1.00 1.03 C ATOM 515 O GLU A 35 -6.058 10.858 9.069 1.00 1.11 O ATOM 516 CB GLU A 35 -3.240 12.215 9.439 1.00 1.32 C ATOM 517 CG GLU A 35 -1.879 12.019 10.125 1.00 2.32 C ATOM 518 CD GLU A 35 -1.303 13.355 10.613 1.00 2.98 C ATOM 519 OE1 GLU A 35 -1.660 13.811 11.728 1.00 3.17 O ATOM 520 OE2 GLU A 35 -0.536 13.999 9.852 1.00 4.24 O ATOM 0 H GLU A 35 -2.163 11.639 7.336 1.00 1.03 H new ATOM 0 HA GLU A 35 -3.618 10.088 9.189 1.00 1.12 H new ATOM 0 HB2 GLU A 35 -3.186 13.089 8.789 1.00 1.32 H new ATOM 0 HB3 GLU A 35 -3.991 12.429 10.199 1.00 1.32 H new ATOM 0 HG2 GLU A 35 -1.989 11.338 10.969 1.00 2.32 H new ATOM 0 HG3 GLU A 35 -1.182 11.553 9.429 1.00 2.32 H new ATOM 527 N LEU A 36 -5.507 11.613 7.025 1.00 0.91 N ATOM 528 CA LEU A 36 -6.846 12.042 6.584 1.00 0.88 C ATOM 529 C LEU A 36 -7.589 11.025 5.691 1.00 0.79 C ATOM 530 O LEU A 36 -8.765 11.231 5.367 1.00 0.82 O ATOM 531 CB LEU A 36 -6.707 13.390 5.847 1.00 0.92 C ATOM 532 CG LEU A 36 -5.887 14.489 6.551 1.00 1.03 C ATOM 533 CD1 LEU A 36 -5.852 15.733 5.664 1.00 1.10 C ATOM 534 CD2 LEU A 36 -6.465 14.876 7.912 1.00 1.13 C ATOM 0 H LEU A 36 -4.810 11.691 6.285 1.00 0.91 H new ATOM 0 HA LEU A 36 -7.459 12.132 7.481 1.00 0.88 H new ATOM 0 HB2 LEU A 36 -6.254 13.199 4.874 1.00 0.92 H new ATOM 0 HB3 LEU A 36 -7.708 13.780 5.662 1.00 0.92 H new ATOM 0 HG LEU A 36 -4.886 14.090 6.716 1.00 1.03 H new ATOM 0 HD11 LEU A 36 -5.273 16.515 6.156 1.00 1.10 H new ATOM 0 HD12 LEU A 36 -5.389 15.486 4.709 1.00 1.10 H new ATOM 0 HD13 LEU A 36 -6.869 16.087 5.494 1.00 1.10 H new ATOM 0 HD21 LEU A 36 -5.847 15.653 8.362 1.00 1.13 H new ATOM 0 HD22 LEU A 36 -7.481 15.249 7.783 1.00 1.13 H new ATOM 0 HD23 LEU A 36 -6.479 14.002 8.563 1.00 1.13 H new ATOM 546 N VAL A 37 -6.930 9.935 5.282 1.00 0.74 N ATOM 547 CA VAL A 37 -7.552 8.820 4.541 1.00 0.71 C ATOM 548 C VAL A 37 -8.108 7.775 5.517 1.00 0.86 C ATOM 549 O VAL A 37 -7.499 7.506 6.558 1.00 1.50 O ATOM 550 CB VAL A 37 -6.593 8.242 3.478 1.00 0.70 C ATOM 551 CG1 VAL A 37 -5.302 7.654 4.054 1.00 0.86 C ATOM 552 CG2 VAL A 37 -7.266 7.179 2.607 1.00 0.80 C ATOM 0 H VAL A 37 -5.935 9.796 5.457 1.00 0.74 H new ATOM 0 HA VAL A 37 -8.405 9.197 3.977 1.00 0.71 H new ATOM 0 HB VAL A 37 -6.326 9.106 2.870 1.00 0.70 H new ATOM 0 HG11 VAL A 37 -4.684 7.269 3.243 1.00 0.86 H new ATOM 0 HG12 VAL A 37 -4.756 8.430 4.590 1.00 0.86 H new ATOM 0 HG13 VAL A 37 -5.546 6.843 4.740 1.00 0.86 H new ATOM 0 HG21 VAL A 37 -6.551 6.803 1.875 1.00 0.80 H new ATOM 0 HG22 VAL A 37 -7.608 6.357 3.236 1.00 0.80 H new ATOM 0 HG23 VAL A 37 -8.118 7.619 2.089 1.00 0.80 H new ATOM 562 N GLN A 38 -9.281 7.223 5.198 1.00 0.69 N ATOM 563 CA GLN A 38 -10.052 6.290 6.031 1.00 0.70 C ATOM 564 C GLN A 38 -10.284 4.957 5.307 1.00 0.64 C ATOM 565 O GLN A 38 -10.159 4.855 4.085 1.00 0.66 O ATOM 566 CB GLN A 38 -11.407 6.917 6.394 1.00 0.88 C ATOM 567 CG GLN A 38 -11.299 8.164 7.287 1.00 1.73 C ATOM 568 CD GLN A 38 -12.644 8.787 7.593 1.00 1.97 C ATOM 569 OE1 GLN A 38 -12.977 9.134 8.724 1.00 3.05 O ATOM 570 NE2 GLN A 38 -13.484 8.952 6.611 1.00 2.00 N ATOM 0 H GLN A 38 -9.743 7.422 4.311 1.00 0.69 H new ATOM 0 HA GLN A 38 -9.478 6.093 6.937 1.00 0.70 H new ATOM 0 HB2 GLN A 38 -11.930 7.184 5.476 1.00 0.88 H new ATOM 0 HB3 GLN A 38 -12.017 6.170 6.902 1.00 0.88 H new ATOM 0 HG2 GLN A 38 -10.808 7.894 8.222 1.00 1.73 H new ATOM 0 HG3 GLN A 38 -10.665 8.903 6.796 1.00 1.73 H new ATOM 0 HE21 GLN A 38 -13.225 8.670 5.666 1.00 2.00 H new ATOM 0 HE22 GLN A 38 -14.401 9.363 6.788 1.00 2.00 H new ATOM 579 N ARG A 39 -10.704 3.932 6.056 1.00 0.65 N ATOM 580 CA ARG A 39 -10.879 2.548 5.554 1.00 0.70 C ATOM 581 C ARG A 39 -12.121 2.308 4.672 1.00 0.84 C ATOM 582 O ARG A 39 -12.461 1.163 4.368 1.00 1.85 O ATOM 583 CB ARG A 39 -10.712 1.552 6.712 1.00 0.79 C ATOM 584 CG ARG A 39 -11.917 1.484 7.655 1.00 0.86 C ATOM 585 CD ARG A 39 -11.507 0.869 8.995 1.00 1.07 C ATOM 586 NE ARG A 39 -12.626 0.883 9.949 1.00 1.22 N ATOM 587 CZ ARG A 39 -12.552 0.631 11.240 1.00 1.96 C ATOM 588 NH1 ARG A 39 -11.441 0.304 11.829 1.00 3.24 N ATOM 589 NH2 ARG A 39 -13.613 0.700 11.982 1.00 2.02 N ATOM 0 H ARG A 39 -10.938 4.033 7.044 1.00 0.65 H new ATOM 0 HA ARG A 39 -10.079 2.369 4.835 1.00 0.70 H new ATOM 0 HB2 ARG A 39 -10.530 0.559 6.300 1.00 0.79 H new ATOM 0 HB3 ARG A 39 -9.828 1.825 7.288 1.00 0.79 H new ATOM 0 HG2 ARG A 39 -12.320 2.484 7.814 1.00 0.86 H new ATOM 0 HG3 ARG A 39 -12.710 0.889 7.201 1.00 0.86 H new ATOM 0 HD2 ARG A 39 -11.170 -0.156 8.840 1.00 1.07 H new ATOM 0 HD3 ARG A 39 -10.665 1.422 9.410 1.00 1.07 H new ATOM 0 HE ARG A 39 -13.548 1.110 9.575 1.00 1.22 H new ATOM 0 HH11 ARG A 39 -10.579 0.234 11.289 1.00 3.24 H new ATOM 0 HH12 ARG A 39 -11.431 0.118 12.832 1.00 3.24 H new ATOM 0 HH21 ARG A 39 -14.510 0.950 11.567 1.00 2.02 H new ATOM 0 HH22 ARG A 39 -13.550 0.504 12.981 1.00 2.02 H new ATOM 603 N GLY A 40 -12.779 3.390 4.252 1.00 0.91 N ATOM 604 CA GLY A 40 -13.845 3.428 3.248 1.00 0.89 C ATOM 605 C GLY A 40 -13.509 4.251 1.992 1.00 0.87 C ATOM 606 O GLY A 40 -14.399 4.458 1.164 1.00 0.98 O ATOM 0 H GLY A 40 -12.571 4.316 4.624 1.00 0.91 H new ATOM 0 HA2 GLY A 40 -14.079 2.407 2.946 1.00 0.89 H new ATOM 0 HA3 GLY A 40 -14.744 3.839 3.707 1.00 0.89 H new ATOM 610 N ASP A 41 -12.277 4.752 1.832 1.00 0.92 N ATOM 611 CA ASP A 41 -11.832 5.478 0.629 1.00 0.96 C ATOM 612 C ASP A 41 -11.274 4.537 -0.467 1.00 0.73 C ATOM 613 O ASP A 41 -10.748 3.455 -0.179 1.00 0.71 O ATOM 614 CB ASP A 41 -10.806 6.562 1.018 1.00 1.14 C ATOM 615 CG ASP A 41 -11.394 7.711 1.852 1.00 1.56 C ATOM 616 OD1 ASP A 41 -12.449 8.279 1.470 1.00 1.75 O ATOM 617 OD2 ASP A 41 -10.791 8.101 2.879 1.00 2.97 O ATOM 0 H ASP A 41 -11.550 4.665 2.542 1.00 0.92 H new ATOM 0 HA ASP A 41 -12.707 5.959 0.193 1.00 0.96 H new ATOM 0 HB2 ASP A 41 -9.997 6.096 1.580 1.00 1.14 H new ATOM 0 HB3 ASP A 41 -10.367 6.974 0.110 1.00 1.14 H new ATOM 622 N ILE A 42 -11.377 4.961 -1.734 1.00 0.61 N ATOM 623 CA ILE A 42 -10.852 4.271 -2.929 1.00 0.50 C ATOM 624 C ILE A 42 -9.692 5.080 -3.530 1.00 0.40 C ATOM 625 O ILE A 42 -9.843 6.278 -3.778 1.00 0.43 O ATOM 626 CB ILE A 42 -11.971 4.048 -3.969 1.00 0.63 C ATOM 627 CG1 ILE A 42 -13.188 3.288 -3.392 1.00 0.89 C ATOM 628 CG2 ILE A 42 -11.422 3.318 -5.209 1.00 0.66 C ATOM 629 CD1 ILE A 42 -12.914 1.888 -2.830 1.00 1.74 C ATOM 0 H ILE A 42 -11.850 5.834 -1.969 1.00 0.61 H new ATOM 0 HA ILE A 42 -10.476 3.291 -2.634 1.00 0.50 H new ATOM 0 HB ILE A 42 -12.326 5.037 -4.260 1.00 0.63 H new ATOM 0 HG12 ILE A 42 -13.625 3.895 -2.599 1.00 0.89 H new ATOM 0 HG13 ILE A 42 -13.939 3.200 -4.177 1.00 0.89 H new ATOM 0 HG21 ILE A 42 -12.226 3.170 -5.930 1.00 0.66 H new ATOM 0 HG22 ILE A 42 -10.632 3.916 -5.664 1.00 0.66 H new ATOM 0 HG23 ILE A 42 -11.018 2.350 -4.912 1.00 0.66 H new ATOM 0 HD11 ILE A 42 -13.843 1.458 -2.456 1.00 1.74 H new ATOM 0 HD12 ILE A 42 -12.511 1.252 -3.618 1.00 1.74 H new ATOM 0 HD13 ILE A 42 -12.192 1.958 -2.016 1.00 1.74 H new ATOM 641 N ILE A 43 -8.541 4.444 -3.778 1.00 0.37 N ATOM 642 CA ILE A 43 -7.274 5.114 -4.122 1.00 0.41 C ATOM 643 C ILE A 43 -6.733 4.700 -5.502 1.00 0.45 C ATOM 644 O ILE A 43 -6.550 3.509 -5.756 1.00 0.58 O ATOM 645 CB ILE A 43 -6.234 4.767 -3.021 1.00 0.50 C ATOM 646 CG1 ILE A 43 -6.713 5.033 -1.573 1.00 0.57 C ATOM 647 CG2 ILE A 43 -4.881 5.457 -3.253 1.00 0.64 C ATOM 648 CD1 ILE A 43 -7.140 6.474 -1.272 1.00 0.67 C ATOM 0 H ILE A 43 -8.459 3.428 -3.745 1.00 0.37 H new ATOM 0 HA ILE A 43 -7.457 6.187 -4.173 1.00 0.41 H new ATOM 0 HB ILE A 43 -6.109 3.689 -3.118 1.00 0.50 H new ATOM 0 HG12 ILE A 43 -7.553 4.372 -1.360 1.00 0.57 H new ATOM 0 HG13 ILE A 43 -5.911 4.760 -0.888 1.00 0.57 H new ATOM 0 HG21 ILE A 43 -4.191 5.181 -2.456 1.00 0.64 H new ATOM 0 HG22 ILE A 43 -4.472 5.142 -4.213 1.00 0.64 H new ATOM 0 HG23 ILE A 43 -5.020 6.538 -3.255 1.00 0.64 H new ATOM 0 HD11 ILE A 43 -7.457 6.550 -0.232 1.00 0.67 H new ATOM 0 HD12 ILE A 43 -6.300 7.146 -1.445 1.00 0.67 H new ATOM 0 HD13 ILE A 43 -7.968 6.752 -1.925 1.00 0.67 H new ATOM 660 N LYS A 44 -6.402 5.658 -6.382 1.00 0.51 N ATOM 661 CA LYS A 44 -5.685 5.388 -7.650 1.00 0.56 C ATOM 662 C LYS A 44 -4.162 5.421 -7.482 1.00 0.60 C ATOM 663 O LYS A 44 -3.596 6.457 -7.113 1.00 0.88 O ATOM 664 CB LYS A 44 -6.170 6.307 -8.781 1.00 0.77 C ATOM 665 CG LYS A 44 -5.537 5.886 -10.120 1.00 1.66 C ATOM 666 CD LYS A 44 -6.271 6.456 -11.336 1.00 1.86 C ATOM 667 CE LYS A 44 -7.576 5.711 -11.642 1.00 1.51 C ATOM 668 NZ LYS A 44 -8.150 6.135 -12.938 1.00 1.89 N ATOM 0 H LYS A 44 -6.622 6.644 -6.240 1.00 0.51 H new ATOM 0 HA LYS A 44 -5.932 4.367 -7.942 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -7.257 6.262 -8.855 1.00 0.77 H new ATOM 0 HB3 LYS A 44 -5.908 7.341 -8.556 1.00 0.77 H new ATOM 0 HG2 LYS A 44 -4.498 6.215 -10.143 1.00 1.66 H new ATOM 0 HG3 LYS A 44 -5.529 4.798 -10.185 1.00 1.66 H new ATOM 0 HD2 LYS A 44 -6.491 7.509 -11.162 1.00 1.86 H new ATOM 0 HD3 LYS A 44 -5.617 6.407 -12.206 1.00 1.86 H new ATOM 0 HE2 LYS A 44 -7.388 4.637 -11.660 1.00 1.51 H new ATOM 0 HE3 LYS A 44 -8.297 5.895 -10.846 1.00 1.51 H new ATOM 0 HZ1 LYS A 44 -9.032 5.612 -13.115 1.00 1.89 H new ATOM 0 HZ2 LYS A 44 -8.352 7.155 -12.911 1.00 1.89 H new ATOM 0 HZ3 LYS A 44 -7.471 5.936 -13.700 1.00 1.89 H new ATOM 682 N VAL A 45 -3.501 4.313 -7.821 1.00 0.51 N ATOM 683 CA VAL A 45 -2.035 4.152 -7.790 1.00 0.54 C ATOM 684 C VAL A 45 -1.441 4.183 -9.204 1.00 0.61 C ATOM 685 O VAL A 45 -1.965 3.547 -10.123 1.00 0.68 O ATOM 686 CB VAL A 45 -1.646 2.887 -6.995 1.00 0.51 C ATOM 687 CG1 VAL A 45 -2.042 1.589 -7.697 1.00 0.66 C ATOM 688 CG2 VAL A 45 -0.146 2.824 -6.687 1.00 0.59 C ATOM 0 H VAL A 45 -3.982 3.471 -8.136 1.00 0.51 H new ATOM 0 HA VAL A 45 -1.599 5.001 -7.264 1.00 0.54 H new ATOM 0 HB VAL A 45 -2.208 2.973 -6.065 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -1.740 0.738 -7.086 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -3.122 1.568 -7.840 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -1.546 1.534 -8.666 1.00 0.66 H new ATOM 0 HG21 VAL A 45 0.073 1.915 -6.127 1.00 0.59 H new ATOM 0 HG22 VAL A 45 0.417 2.819 -7.620 1.00 0.59 H new ATOM 0 HG23 VAL A 45 0.141 3.693 -6.095 1.00 0.59 H new ATOM 698 N VAL A 46 -0.353 4.935 -9.391 1.00 0.64 N ATOM 699 CA VAL A 46 0.281 5.185 -10.706 1.00 0.71 C ATOM 700 C VAL A 46 1.480 4.258 -10.990 1.00 0.65 C ATOM 701 O VAL A 46 2.015 3.636 -10.063 1.00 0.63 O ATOM 702 CB VAL A 46 0.690 6.674 -10.834 1.00 0.82 C ATOM 703 CG1 VAL A 46 -0.493 7.610 -10.564 1.00 0.92 C ATOM 704 CG2 VAL A 46 1.853 7.057 -9.916 1.00 0.85 C ATOM 0 H VAL A 46 0.128 5.401 -8.622 1.00 0.64 H new ATOM 0 HA VAL A 46 -0.467 4.952 -11.464 1.00 0.71 H new ATOM 0 HB VAL A 46 1.021 6.794 -11.865 1.00 0.82 H new ATOM 0 HG11 VAL A 46 -0.168 8.646 -10.663 1.00 0.92 H new ATOM 0 HG12 VAL A 46 -1.287 7.409 -11.283 1.00 0.92 H new ATOM 0 HG13 VAL A 46 -0.867 7.442 -9.554 1.00 0.92 H new ATOM 0 HG21 VAL A 46 2.092 8.112 -10.052 1.00 0.85 H new ATOM 0 HG22 VAL A 46 1.571 6.880 -8.878 1.00 0.85 H new ATOM 0 HG23 VAL A 46 2.726 6.452 -10.163 1.00 0.85 H new ATOM 714 N PRO A 47 1.947 4.133 -12.250 1.00 0.72 N ATOM 715 CA PRO A 47 3.229 3.489 -12.548 1.00 0.72 C ATOM 716 C PRO A 47 4.399 4.225 -11.864 1.00 0.68 C ATOM 717 O PRO A 47 4.486 5.457 -11.873 1.00 0.80 O ATOM 718 CB PRO A 47 3.357 3.491 -14.076 1.00 0.89 C ATOM 719 CG PRO A 47 2.439 4.628 -14.516 1.00 0.91 C ATOM 720 CD PRO A 47 1.311 4.558 -13.491 1.00 0.87 C ATOM 0 HA PRO A 47 3.265 2.471 -12.160 1.00 0.72 H new ATOM 0 HB2 PRO A 47 4.386 3.663 -14.391 1.00 0.89 H new ATOM 0 HB3 PRO A 47 3.047 2.538 -14.505 1.00 0.89 H new ATOM 0 HG2 PRO A 47 2.948 5.592 -14.494 1.00 0.91 H new ATOM 0 HG3 PRO A 47 2.073 4.484 -15.533 1.00 0.91 H new ATOM 0 HD2 PRO A 47 0.826 5.527 -13.373 1.00 0.87 H new ATOM 0 HD3 PRO A 47 0.541 3.851 -13.801 1.00 0.87 H new ATOM 728 N GLY A 48 5.282 3.449 -11.236 1.00 0.65 N ATOM 729 CA GLY A 48 6.358 3.889 -10.342 1.00 0.67 C ATOM 730 C GLY A 48 5.922 4.204 -8.904 1.00 0.71 C ATOM 731 O GLY A 48 6.780 4.432 -8.049 1.00 0.92 O ATOM 0 H GLY A 48 5.266 2.435 -11.343 1.00 0.65 H new ATOM 0 HA2 GLY A 48 7.124 3.114 -10.311 1.00 0.67 H new ATOM 0 HA3 GLY A 48 6.822 4.779 -10.768 1.00 0.67 H new ATOM 735 N GLY A 49 4.615 4.221 -8.622 1.00 0.66 N ATOM 736 CA GLY A 49 4.061 4.557 -7.310 1.00 0.73 C ATOM 737 C GLY A 49 4.285 3.486 -6.235 1.00 0.74 C ATOM 738 O GLY A 49 4.537 2.318 -6.536 1.00 1.06 O ATOM 0 H GLY A 49 3.900 3.997 -9.314 1.00 0.66 H new ATOM 0 HA2 GLY A 49 4.504 5.493 -6.971 1.00 0.73 H new ATOM 0 HA3 GLY A 49 2.990 4.731 -7.415 1.00 0.73 H new ATOM 742 N LYS A 50 4.147 3.882 -4.963 1.00 0.64 N ATOM 743 CA LYS A 50 4.225 2.989 -3.791 1.00 0.66 C ATOM 744 C LYS A 50 2.875 2.886 -3.092 1.00 0.71 C ATOM 745 O LYS A 50 2.190 3.899 -2.927 1.00 1.00 O ATOM 746 CB LYS A 50 5.287 3.475 -2.794 1.00 0.75 C ATOM 747 CG LYS A 50 6.681 3.622 -3.409 1.00 0.76 C ATOM 748 CD LYS A 50 7.690 4.088 -2.350 1.00 1.01 C ATOM 749 CE LYS A 50 9.042 4.408 -2.994 1.00 1.04 C ATOM 750 NZ LYS A 50 10.049 4.791 -1.977 1.00 1.69 N ATOM 0 H LYS A 50 3.974 4.855 -4.710 1.00 0.64 H new ATOM 0 HA LYS A 50 4.511 2.002 -4.154 1.00 0.66 H new ATOM 0 HB2 LYS A 50 4.976 4.436 -2.384 1.00 0.75 H new ATOM 0 HB3 LYS A 50 5.339 2.775 -1.960 1.00 0.75 H new ATOM 0 HG2 LYS A 50 7.001 2.669 -3.830 1.00 0.76 H new ATOM 0 HG3 LYS A 50 6.649 4.339 -4.230 1.00 0.76 H new ATOM 0 HD2 LYS A 50 7.307 4.971 -1.839 1.00 1.01 H new ATOM 0 HD3 LYS A 50 7.816 3.313 -1.594 1.00 1.01 H new ATOM 0 HE2 LYS A 50 9.396 3.540 -3.550 1.00 1.04 H new ATOM 0 HE3 LYS A 50 8.922 5.219 -3.712 1.00 1.04 H new ATOM 0 HZ1 LYS A 50 10.953 5.001 -2.446 1.00 1.69 H new ATOM 0 HZ2 LYS A 50 9.721 5.634 -1.464 1.00 1.69 H new ATOM 0 HZ3 LYS A 50 10.181 4.007 -1.307 1.00 1.69 H new ATOM 764 N PHE A 51 2.514 1.695 -2.627 1.00 0.68 N ATOM 765 CA PHE A 51 1.233 1.450 -1.940 1.00 0.70 C ATOM 766 C PHE A 51 1.207 2.083 -0.527 1.00 0.69 C ATOM 767 O PHE A 51 2.070 1.737 0.284 1.00 0.72 O ATOM 768 CB PHE A 51 0.964 -0.062 -1.873 1.00 0.70 C ATOM 769 CG PHE A 51 0.733 -0.695 -3.231 1.00 0.70 C ATOM 770 CD1 PHE A 51 -0.503 -0.540 -3.884 1.00 1.55 C ATOM 771 CD2 PHE A 51 1.770 -1.401 -3.866 1.00 1.77 C ATOM 772 CE1 PHE A 51 -0.687 -1.074 -5.172 1.00 1.56 C ATOM 773 CE2 PHE A 51 1.596 -1.899 -5.166 1.00 1.79 C ATOM 774 CZ PHE A 51 0.366 -1.735 -5.824 1.00 0.76 C ATOM 0 H PHE A 51 3.098 0.863 -2.712 1.00 0.68 H new ATOM 0 HA PHE A 51 0.440 1.929 -2.514 1.00 0.70 H new ATOM 0 HB2 PHE A 51 1.810 -0.553 -1.391 1.00 0.70 H new ATOM 0 HB3 PHE A 51 0.092 -0.240 -1.244 1.00 0.70 H new ATOM 0 HD1 PHE A 51 -1.309 -0.012 -3.397 1.00 1.55 H new ATOM 0 HD2 PHE A 51 2.705 -1.561 -3.350 1.00 1.77 H new ATOM 0 HE1 PHE A 51 -1.644 -0.975 -5.662 1.00 1.56 H new ATOM 0 HE2 PHE A 51 2.409 -2.409 -5.661 1.00 1.79 H new ATOM 0 HZ PHE A 51 0.231 -2.115 -6.826 1.00 0.76 H new ATOM 784 N PRO A 52 0.246 2.970 -0.186 1.00 0.69 N ATOM 785 CA PRO A 52 0.233 3.680 1.101 1.00 0.68 C ATOM 786 C PRO A 52 -0.343 2.896 2.293 1.00 0.65 C ATOM 787 O PRO A 52 0.017 3.203 3.428 1.00 0.70 O ATOM 788 CB PRO A 52 -0.590 4.951 0.852 1.00 0.72 C ATOM 789 CG PRO A 52 -1.553 4.542 -0.259 1.00 0.77 C ATOM 790 CD PRO A 52 -0.697 3.603 -1.104 1.00 0.72 C ATOM 0 HA PRO A 52 1.264 3.868 1.402 1.00 0.68 H new ATOM 0 HB2 PRO A 52 -1.123 5.266 1.749 1.00 0.72 H new ATOM 0 HB3 PRO A 52 0.042 5.785 0.548 1.00 0.72 H new ATOM 0 HG2 PRO A 52 -2.438 4.042 0.134 1.00 0.77 H new ATOM 0 HG3 PRO A 52 -1.901 5.401 -0.832 1.00 0.77 H new ATOM 0 HD2 PRO A 52 -1.315 2.856 -1.602 1.00 0.72 H new ATOM 0 HD3 PRO A 52 -0.171 4.153 -1.884 1.00 0.72 H new ATOM 798 N VAL A 53 -1.205 1.897 2.073 1.00 0.62 N ATOM 799 CA VAL A 53 -1.902 1.086 3.103 1.00 0.60 C ATOM 800 C VAL A 53 -2.297 -0.267 2.495 1.00 0.57 C ATOM 801 O VAL A 53 -2.464 -0.358 1.278 1.00 0.76 O ATOM 802 CB VAL A 53 -3.166 1.766 3.687 1.00 0.68 C ATOM 803 CG1 VAL A 53 -2.834 2.669 4.880 1.00 0.96 C ATOM 804 CG2 VAL A 53 -3.959 2.583 2.663 1.00 0.79 C ATOM 0 H VAL A 53 -1.455 1.610 1.127 1.00 0.62 H new ATOM 0 HA VAL A 53 -1.202 0.966 3.930 1.00 0.60 H new ATOM 0 HB VAL A 53 -3.792 0.935 4.012 1.00 0.68 H new ATOM 0 HG11 VAL A 53 -3.749 3.125 5.257 1.00 0.96 H new ATOM 0 HG12 VAL A 53 -2.373 2.075 5.669 1.00 0.96 H new ATOM 0 HG13 VAL A 53 -2.143 3.451 4.564 1.00 0.96 H new ATOM 0 HG21 VAL A 53 -4.829 3.028 3.147 1.00 0.79 H new ATOM 0 HG22 VAL A 53 -3.326 3.372 2.258 1.00 0.79 H new ATOM 0 HG23 VAL A 53 -4.288 1.931 1.854 1.00 0.79 H new ATOM 814 N ASP A 54 -2.417 -1.334 3.291 1.00 0.70 N ATOM 815 CA ASP A 54 -2.720 -2.671 2.746 1.00 0.70 C ATOM 816 C ASP A 54 -4.219 -2.902 2.454 1.00 0.75 C ATOM 817 O ASP A 54 -5.097 -2.476 3.215 1.00 0.94 O ATOM 818 CB ASP A 54 -2.038 -3.785 3.553 1.00 0.84 C ATOM 819 CG ASP A 54 -2.776 -4.247 4.805 1.00 0.98 C ATOM 820 OD1 ASP A 54 -3.708 -5.068 4.670 1.00 1.63 O ATOM 821 OD2 ASP A 54 -2.370 -3.889 5.936 1.00 1.87 O ATOM 0 H ASP A 54 -2.311 -1.305 4.305 1.00 0.70 H new ATOM 0 HA ASP A 54 -2.269 -2.715 1.755 1.00 0.70 H new ATOM 0 HB2 ASP A 54 -1.896 -4.646 2.900 1.00 0.84 H new ATOM 0 HB3 ASP A 54 -1.046 -3.440 3.846 1.00 0.84 H new ATOM 826 N GLY A 55 -4.513 -3.549 1.320 1.00 0.64 N ATOM 827 CA GLY A 55 -5.876 -3.703 0.800 1.00 0.66 C ATOM 828 C GLY A 55 -5.968 -4.483 -0.519 1.00 0.58 C ATOM 829 O GLY A 55 -5.077 -5.261 -0.868 1.00 0.60 O ATOM 0 H GLY A 55 -3.803 -3.985 0.731 1.00 0.64 H new ATOM 0 HA2 GLY A 55 -6.483 -4.210 1.550 1.00 0.66 H new ATOM 0 HA3 GLY A 55 -6.310 -2.714 0.654 1.00 0.66 H new ATOM 833 N ARG A 56 -7.061 -4.270 -1.260 1.00 0.56 N ATOM 834 CA ARG A 56 -7.446 -5.055 -2.452 1.00 0.53 C ATOM 835 C ARG A 56 -7.544 -4.204 -3.727 1.00 0.51 C ATOM 836 O ARG A 56 -7.895 -3.031 -3.683 1.00 0.60 O ATOM 837 CB ARG A 56 -8.714 -5.857 -2.100 1.00 0.63 C ATOM 838 CG ARG A 56 -9.401 -6.580 -3.272 1.00 0.79 C ATOM 839 CD ARG A 56 -10.569 -7.454 -2.801 1.00 0.88 C ATOM 840 NE ARG A 56 -11.605 -6.665 -2.107 1.00 1.90 N ATOM 841 CZ ARG A 56 -11.964 -6.719 -0.837 1.00 2.92 C ATOM 842 NH1 ARG A 56 -11.416 -7.525 0.024 1.00 3.69 N ATOM 843 NH2 ARG A 56 -12.902 -5.928 -0.408 1.00 4.01 N ATOM 0 H ARG A 56 -7.726 -3.526 -1.046 1.00 0.56 H new ATOM 0 HA ARG A 56 -6.659 -5.764 -2.709 1.00 0.53 H new ATOM 0 HB2 ARG A 56 -8.453 -6.598 -1.344 1.00 0.63 H new ATOM 0 HB3 ARG A 56 -9.435 -5.178 -1.645 1.00 0.63 H new ATOM 0 HG2 ARG A 56 -9.765 -5.844 -3.989 1.00 0.79 H new ATOM 0 HG3 ARG A 56 -8.672 -7.200 -3.794 1.00 0.79 H new ATOM 0 HD2 ARG A 56 -11.012 -7.960 -3.659 1.00 0.88 H new ATOM 0 HD3 ARG A 56 -10.195 -8.229 -2.132 1.00 0.88 H new ATOM 0 HE ARG A 56 -12.109 -5.991 -2.683 1.00 1.90 H new ATOM 0 HH11 ARG A 56 -10.671 -8.156 -0.271 1.00 3.69 H new ATOM 0 HH12 ARG A 56 -11.731 -7.526 0.994 1.00 3.69 H new ATOM 0 HH21 ARG A 56 -13.352 -5.275 -1.050 1.00 4.01 H new ATOM 0 HH22 ARG A 56 -13.188 -5.960 0.570 1.00 4.01 H new ATOM 857 N VAL A 57 -7.196 -4.808 -4.861 1.00 0.51 N ATOM 858 CA VAL A 57 -7.141 -4.238 -6.218 1.00 0.50 C ATOM 859 C VAL A 57 -8.407 -4.618 -6.981 1.00 0.48 C ATOM 860 O VAL A 57 -8.753 -5.797 -7.011 1.00 0.54 O ATOM 861 CB VAL A 57 -5.927 -4.801 -6.990 1.00 0.58 C ATOM 862 CG1 VAL A 57 -5.746 -4.088 -8.334 1.00 0.58 C ATOM 863 CG2 VAL A 57 -4.611 -4.694 -6.210 1.00 0.79 C ATOM 0 H VAL A 57 -6.921 -5.790 -4.861 1.00 0.51 H new ATOM 0 HA VAL A 57 -7.053 -3.155 -6.133 1.00 0.50 H new ATOM 0 HB VAL A 57 -6.151 -5.857 -7.144 1.00 0.58 H new ATOM 0 HG11 VAL A 57 -4.884 -4.506 -8.854 1.00 0.58 H new ATOM 0 HG12 VAL A 57 -6.640 -4.227 -8.943 1.00 0.58 H new ATOM 0 HG13 VAL A 57 -5.585 -3.024 -8.162 1.00 0.58 H new ATOM 0 HG21 VAL A 57 -3.799 -5.107 -6.808 1.00 0.79 H new ATOM 0 HG22 VAL A 57 -4.403 -3.647 -5.989 1.00 0.79 H new ATOM 0 HG23 VAL A 57 -4.694 -5.252 -5.277 1.00 0.79 H new ATOM 873 N ILE A 58 -9.088 -3.663 -7.623 1.00 0.47 N ATOM 874 CA ILE A 58 -10.351 -3.926 -8.355 1.00 0.51 C ATOM 875 C ILE A 58 -10.505 -3.116 -9.659 1.00 0.53 C ATOM 876 O ILE A 58 -11.617 -2.899 -10.138 1.00 0.58 O ATOM 877 CB ILE A 58 -11.565 -3.736 -7.398 1.00 0.56 C ATOM 878 CG1 ILE A 58 -11.311 -2.604 -6.379 1.00 0.64 C ATOM 879 CG2 ILE A 58 -11.885 -5.055 -6.676 1.00 0.64 C ATOM 880 CD1 ILE A 58 -12.590 -2.072 -5.728 1.00 0.78 C ATOM 0 H ILE A 58 -8.789 -2.688 -7.655 1.00 0.47 H new ATOM 0 HA ILE A 58 -10.316 -4.964 -8.686 1.00 0.51 H new ATOM 0 HB ILE A 58 -12.426 -3.447 -8.001 1.00 0.56 H new ATOM 0 HG12 ILE A 58 -10.641 -2.970 -5.601 1.00 0.64 H new ATOM 0 HG13 ILE A 58 -10.799 -1.783 -6.880 1.00 0.64 H new ATOM 0 HG21 ILE A 58 -12.735 -4.908 -6.010 1.00 0.64 H new ATOM 0 HG22 ILE A 58 -12.128 -5.823 -7.411 1.00 0.64 H new ATOM 0 HG23 ILE A 58 -11.019 -5.371 -6.094 1.00 0.64 H new ATOM 0 HD11 ILE A 58 -12.337 -1.279 -5.024 1.00 0.78 H new ATOM 0 HD12 ILE A 58 -13.252 -1.676 -6.498 1.00 0.78 H new ATOM 0 HD13 ILE A 58 -13.092 -2.881 -5.198 1.00 0.78 H new ATOM 892 N GLU A 59 -9.397 -2.807 -10.334 1.00 0.53 N ATOM 893 CA GLU A 59 -9.355 -2.248 -11.695 1.00 0.60 C ATOM 894 C GLU A 59 -7.926 -2.316 -12.255 1.00 0.66 C ATOM 895 O GLU A 59 -6.988 -1.990 -11.526 1.00 0.69 O ATOM 896 CB GLU A 59 -9.775 -0.763 -11.667 1.00 0.62 C ATOM 897 CG GLU A 59 -9.951 -0.120 -13.051 1.00 1.01 C ATOM 898 CD GLU A 59 -11.099 -0.734 -13.856 1.00 1.46 C ATOM 899 OE1 GLU A 59 -12.274 -0.614 -13.434 1.00 2.68 O ATOM 900 OE2 GLU A 59 -10.835 -1.336 -14.927 1.00 2.35 O ATOM 0 H GLU A 59 -8.467 -2.942 -9.937 1.00 0.53 H new ATOM 0 HA GLU A 59 -10.034 -2.829 -12.319 1.00 0.60 H new ATOM 0 HB2 GLU A 59 -10.713 -0.675 -11.118 1.00 0.62 H new ATOM 0 HB3 GLU A 59 -9.026 -0.198 -11.111 1.00 0.62 H new ATOM 0 HG2 GLU A 59 -10.131 0.948 -12.929 1.00 1.01 H new ATOM 0 HG3 GLU A 59 -9.024 -0.224 -13.614 1.00 1.01 H new ATOM 907 N GLY A 60 -7.764 -2.657 -13.537 1.00 0.72 N ATOM 908 CA GLY A 60 -6.502 -2.511 -14.274 1.00 0.82 C ATOM 909 C GLY A 60 -5.504 -3.670 -14.174 1.00 0.88 C ATOM 910 O GLY A 60 -5.839 -4.781 -13.777 1.00 1.06 O ATOM 0 H GLY A 60 -8.517 -3.049 -14.102 1.00 0.72 H new ATOM 0 HA2 GLY A 60 -6.739 -2.357 -15.327 1.00 0.82 H new ATOM 0 HA3 GLY A 60 -6.007 -1.605 -13.923 1.00 0.82 H new ATOM 914 N HIS A 61 -4.262 -3.393 -14.576 1.00 0.82 N ATOM 915 CA HIS A 61 -3.148 -4.354 -14.576 1.00 0.84 C ATOM 916 C HIS A 61 -1.811 -3.667 -14.259 1.00 0.86 C ATOM 917 O HIS A 61 -1.531 -2.590 -14.793 1.00 1.37 O ATOM 918 CB HIS A 61 -3.084 -5.104 -15.921 1.00 1.06 C ATOM 919 CG HIS A 61 -2.673 -4.247 -17.097 1.00 1.38 C ATOM 920 ND1 HIS A 61 -1.400 -4.130 -17.614 1.00 2.86 N ATOM 921 CD2 HIS A 61 -3.474 -3.396 -17.810 1.00 2.11 C ATOM 922 CE1 HIS A 61 -1.429 -3.230 -18.609 1.00 2.87 C ATOM 923 NE2 HIS A 61 -2.676 -2.742 -18.763 1.00 2.18 N ATOM 0 H HIS A 61 -3.992 -2.471 -14.920 1.00 0.82 H new ATOM 0 HA HIS A 61 -3.331 -5.082 -13.786 1.00 0.84 H new ATOM 0 HB2 HIS A 61 -2.381 -5.932 -15.828 1.00 1.06 H new ATOM 0 HB3 HIS A 61 -4.062 -5.538 -16.128 1.00 1.06 H new ATOM 0 HD2 HIS A 61 -4.535 -3.253 -17.665 1.00 2.11 H new ATOM 0 HE1 HIS A 61 -0.575 -2.938 -19.202 1.00 2.87 H new ATOM 0 HE2 HIS A 61 -2.979 -2.039 -19.437 1.00 2.18 H new ATOM 931 N SER A 62 -1.020 -4.242 -13.347 1.00 0.67 N ATOM 932 CA SER A 62 0.378 -3.844 -13.104 1.00 0.66 C ATOM 933 C SER A 62 1.261 -5.017 -12.638 1.00 0.75 C ATOM 934 O SER A 62 0.801 -6.156 -12.481 1.00 1.09 O ATOM 935 CB SER A 62 0.445 -2.644 -12.144 1.00 0.63 C ATOM 936 OG SER A 62 1.431 -1.732 -12.563 1.00 1.19 O ATOM 0 H SER A 62 -1.333 -5.006 -12.748 1.00 0.67 H new ATOM 0 HA SER A 62 0.795 -3.528 -14.060 1.00 0.66 H new ATOM 0 HB2 SER A 62 -0.525 -2.148 -12.105 1.00 0.63 H new ATOM 0 HB3 SER A 62 0.667 -2.990 -11.135 1.00 0.63 H new ATOM 0 HG SER A 62 1.053 -0.828 -12.583 1.00 1.19 H new ATOM 942 N MET A 63 2.537 -4.726 -12.383 1.00 0.63 N ATOM 943 CA MET A 63 3.536 -5.613 -11.782 1.00 0.68 C ATOM 944 C MET A 63 4.119 -4.977 -10.507 1.00 0.60 C ATOM 945 O MET A 63 4.439 -3.791 -10.493 1.00 0.66 O ATOM 946 CB MET A 63 4.621 -5.895 -12.829 1.00 0.83 C ATOM 947 CG MET A 63 5.665 -6.915 -12.367 1.00 0.96 C ATOM 948 SD MET A 63 5.771 -8.387 -13.411 1.00 1.16 S ATOM 949 CE MET A 63 4.343 -9.298 -12.771 1.00 1.22 C ATOM 0 H MET A 63 2.925 -3.809 -12.604 1.00 0.63 H new ATOM 0 HA MET A 63 3.079 -6.556 -11.483 1.00 0.68 H new ATOM 0 HB2 MET A 63 4.148 -6.259 -13.742 1.00 0.83 H new ATOM 0 HB3 MET A 63 5.124 -4.961 -13.081 1.00 0.83 H new ATOM 0 HG2 MET A 63 6.642 -6.432 -12.339 1.00 0.96 H new ATOM 0 HG3 MET A 63 5.431 -7.222 -11.348 1.00 0.96 H new ATOM 0 HE1 MET A 63 4.681 -10.223 -12.303 1.00 1.22 H new ATOM 0 HE2 MET A 63 3.823 -8.687 -12.033 1.00 1.22 H new ATOM 0 HE3 MET A 63 3.664 -9.533 -13.591 1.00 1.22 H new ATOM 959 N VAL A 64 4.251 -5.759 -9.432 1.00 0.61 N ATOM 960 CA VAL A 64 4.582 -5.271 -8.080 1.00 0.60 C ATOM 961 C VAL A 64 5.793 -5.978 -7.467 1.00 0.68 C ATOM 962 O VAL A 64 5.962 -7.185 -7.619 1.00 0.82 O ATOM 963 CB VAL A 64 3.340 -5.357 -7.165 1.00 0.62 C ATOM 964 CG1 VAL A 64 3.614 -5.013 -5.694 1.00 0.72 C ATOM 965 CG2 VAL A 64 2.259 -4.391 -7.670 1.00 0.52 C ATOM 0 H VAL A 64 4.129 -6.771 -9.473 1.00 0.61 H new ATOM 0 HA VAL A 64 4.874 -4.225 -8.174 1.00 0.60 H new ATOM 0 HB VAL A 64 3.021 -6.399 -7.207 1.00 0.62 H new ATOM 0 HG11 VAL A 64 2.690 -5.098 -5.122 1.00 0.72 H new ATOM 0 HG12 VAL A 64 4.355 -5.703 -5.291 1.00 0.72 H new ATOM 0 HG13 VAL A 64 3.992 -3.993 -5.623 1.00 0.72 H new ATOM 0 HG21 VAL A 64 1.384 -4.454 -7.023 1.00 0.52 H new ATOM 0 HG22 VAL A 64 2.647 -3.372 -7.658 1.00 0.52 H new ATOM 0 HG23 VAL A 64 1.977 -4.660 -8.688 1.00 0.52 H new ATOM 975 N ASP A 65 6.610 -5.221 -6.731 1.00 0.63 N ATOM 976 CA ASP A 65 7.779 -5.726 -5.998 1.00 0.71 C ATOM 977 C ASP A 65 7.568 -5.720 -4.470 1.00 0.68 C ATOM 978 O ASP A 65 7.628 -4.669 -3.822 1.00 0.75 O ATOM 979 CB ASP A 65 9.023 -4.929 -6.410 1.00 0.87 C ATOM 980 CG ASP A 65 10.258 -5.409 -5.650 1.00 0.95 C ATOM 981 OD1 ASP A 65 10.460 -6.644 -5.560 1.00 2.42 O ATOM 982 OD2 ASP A 65 10.983 -4.545 -5.102 1.00 1.41 O ATOM 0 H ASP A 65 6.476 -4.216 -6.624 1.00 0.63 H new ATOM 0 HA ASP A 65 7.925 -6.772 -6.267 1.00 0.71 H new ATOM 0 HB2 ASP A 65 9.188 -5.034 -7.482 1.00 0.87 H new ATOM 0 HB3 ASP A 65 8.861 -3.869 -6.215 1.00 0.87 H new ATOM 987 N GLU A 66 7.368 -6.907 -3.891 1.00 0.69 N ATOM 988 CA GLU A 66 6.995 -7.157 -2.485 1.00 0.72 C ATOM 989 C GLU A 66 8.181 -7.579 -1.581 1.00 0.59 C ATOM 990 O GLU A 66 8.020 -8.344 -0.625 1.00 0.78 O ATOM 991 CB GLU A 66 5.876 -8.211 -2.426 1.00 0.96 C ATOM 992 CG GLU A 66 4.652 -7.960 -3.320 1.00 0.90 C ATOM 993 CD GLU A 66 3.520 -8.964 -3.038 1.00 0.97 C ATOM 994 OE1 GLU A 66 3.781 -10.091 -2.557 1.00 1.67 O ATOM 995 OE2 GLU A 66 2.335 -8.630 -3.283 1.00 1.78 O ATOM 0 H GLU A 66 7.467 -7.775 -4.418 1.00 0.69 H new ATOM 0 HA GLU A 66 6.644 -6.206 -2.085 1.00 0.72 H new ATOM 0 HB2 GLU A 66 6.303 -9.177 -2.695 1.00 0.96 H new ATOM 0 HB3 GLU A 66 5.535 -8.289 -1.394 1.00 0.96 H new ATOM 0 HG2 GLU A 66 4.286 -6.946 -3.159 1.00 0.90 H new ATOM 0 HG3 GLU A 66 4.947 -8.030 -4.367 1.00 0.90 H new ATOM 1002 N SER A 67 9.393 -7.107 -1.898 1.00 0.69 N ATOM 1003 CA SER A 67 10.674 -7.555 -1.323 1.00 0.93 C ATOM 1004 C SER A 67 10.782 -7.658 0.207 1.00 0.85 C ATOM 1005 O SER A 67 11.586 -8.463 0.692 1.00 0.88 O ATOM 1006 CB SER A 67 11.786 -6.614 -1.797 1.00 1.64 C ATOM 1007 OG SER A 67 11.624 -5.305 -1.271 1.00 2.35 O ATOM 0 H SER A 67 9.516 -6.370 -2.592 1.00 0.69 H new ATOM 0 HA SER A 67 10.762 -8.581 -1.680 1.00 0.93 H new ATOM 0 HB2 SER A 67 12.754 -7.012 -1.492 1.00 1.64 H new ATOM 0 HB3 SER A 67 11.787 -6.571 -2.886 1.00 1.64 H new ATOM 0 HG SER A 67 12.351 -4.731 -1.592 1.00 2.35 H new ATOM 1013 N LEU A 68 10.034 -6.851 0.967 1.00 1.11 N ATOM 1014 CA LEU A 68 10.073 -6.783 2.432 1.00 1.37 C ATOM 1015 C LEU A 68 8.873 -7.530 3.042 1.00 1.44 C ATOM 1016 O LEU A 68 9.051 -8.466 3.821 1.00 1.72 O ATOM 1017 CB LEU A 68 10.114 -5.283 2.828 1.00 1.73 C ATOM 1018 CG LEU A 68 10.581 -4.875 4.243 1.00 1.88 C ATOM 1019 CD1 LEU A 68 9.844 -5.571 5.387 1.00 2.12 C ATOM 1020 CD2 LEU A 68 12.083 -5.076 4.451 1.00 1.43 C ATOM 0 H LEU A 68 9.359 -6.202 0.563 1.00 1.11 H new ATOM 0 HA LEU A 68 10.960 -7.278 2.827 1.00 1.37 H new ATOM 0 HB2 LEU A 68 10.762 -4.776 2.113 1.00 1.73 H new ATOM 0 HB3 LEU A 68 9.110 -4.882 2.689 1.00 1.73 H new ATOM 0 HG LEU A 68 10.335 -3.814 4.282 1.00 1.88 H new ATOM 0 HD11 LEU A 68 10.240 -5.222 6.341 1.00 2.12 H new ATOM 0 HD12 LEU A 68 8.780 -5.340 5.329 1.00 2.12 H new ATOM 0 HD13 LEU A 68 9.986 -6.649 5.309 1.00 2.12 H new ATOM 0 HD21 LEU A 68 12.354 -4.773 5.462 1.00 1.43 H new ATOM 0 HD22 LEU A 68 12.333 -6.127 4.308 1.00 1.43 H new ATOM 0 HD23 LEU A 68 12.634 -4.471 3.731 1.00 1.43 H new ATOM 1032 N ILE A 69 7.648 -7.151 2.651 1.00 1.35 N ATOM 1033 CA ILE A 69 6.427 -7.596 3.353 1.00 1.43 C ATOM 1034 C ILE A 69 6.163 -9.103 3.192 1.00 1.47 C ATOM 1035 O ILE A 69 5.984 -9.807 4.193 1.00 1.67 O ATOM 1036 CB ILE A 69 5.169 -6.778 2.970 1.00 1.44 C ATOM 1037 CG1 ILE A 69 5.384 -5.276 2.673 1.00 1.45 C ATOM 1038 CG2 ILE A 69 4.114 -6.952 4.080 1.00 1.44 C ATOM 1039 CD1 ILE A 69 6.012 -4.424 3.780 1.00 1.19 C ATOM 0 H ILE A 69 7.472 -6.539 1.854 1.00 1.35 H new ATOM 0 HA ILE A 69 6.627 -7.405 4.407 1.00 1.43 H new ATOM 0 HB ILE A 69 4.840 -7.185 2.014 1.00 1.44 H new ATOM 0 HG12 ILE A 69 6.013 -5.194 1.787 1.00 1.45 H new ATOM 0 HG13 ILE A 69 4.417 -4.841 2.419 1.00 1.45 H new ATOM 0 HG21 ILE A 69 3.221 -6.382 3.826 1.00 1.44 H new ATOM 0 HG22 ILE A 69 3.856 -8.007 4.175 1.00 1.44 H new ATOM 0 HG23 ILE A 69 4.518 -6.591 5.026 1.00 1.44 H new ATOM 0 HD11 ILE A 69 6.105 -3.393 3.438 1.00 1.19 H new ATOM 0 HD12 ILE A 69 5.379 -4.456 4.667 1.00 1.19 H new ATOM 0 HD13 ILE A 69 7.000 -4.815 4.024 1.00 1.19 H new ATOM 1051 N THR A 70 6.154 -9.608 1.952 1.00 1.37 N ATOM 1052 CA THR A 70 5.987 -11.047 1.654 1.00 1.38 C ATOM 1053 C THR A 70 7.325 -11.764 1.464 1.00 1.30 C ATOM 1054 O THR A 70 7.400 -12.980 1.661 1.00 1.30 O ATOM 1055 CB THR A 70 5.056 -11.289 0.456 1.00 1.33 C ATOM 1056 OG1 THR A 70 5.659 -10.812 -0.716 1.00 1.35 O ATOM 1057 CG2 THR A 70 3.710 -10.584 0.625 1.00 1.49 C ATOM 0 H THR A 70 6.263 -9.031 1.118 1.00 1.37 H new ATOM 0 HA THR A 70 5.510 -11.481 2.533 1.00 1.38 H new ATOM 0 HB THR A 70 4.882 -12.363 0.395 1.00 1.33 H new ATOM 0 HG1 THR A 70 4.969 -10.472 -1.324 1.00 1.35 H new ATOM 0 HG21 THR A 70 3.084 -10.782 -0.245 1.00 1.49 H new ATOM 0 HG22 THR A 70 3.214 -10.956 1.522 1.00 1.49 H new ATOM 0 HG23 THR A 70 3.871 -9.510 0.719 1.00 1.49 H new ATOM 1065 N GLY A 71 8.398 -11.017 1.172 1.00 1.28 N ATOM 1066 CA GLY A 71 9.784 -11.502 1.142 1.00 1.22 C ATOM 1067 C GLY A 71 10.236 -12.119 -0.188 1.00 1.08 C ATOM 1068 O GLY A 71 11.359 -12.630 -0.260 1.00 1.19 O ATOM 0 H GLY A 71 8.323 -10.026 0.943 1.00 1.28 H new ATOM 0 HA2 GLY A 71 10.447 -10.671 1.382 1.00 1.22 H new ATOM 0 HA3 GLY A 71 9.908 -12.246 1.929 1.00 1.22 H new ATOM 1072 N GLU A 72 9.381 -12.081 -1.219 1.00 1.00 N ATOM 1073 CA GLU A 72 9.559 -12.810 -2.486 1.00 0.95 C ATOM 1074 C GLU A 72 10.856 -12.472 -3.242 1.00 1.06 C ATOM 1075 O GLU A 72 11.564 -13.397 -3.649 1.00 2.35 O ATOM 1076 CB GLU A 72 8.338 -12.590 -3.403 1.00 1.05 C ATOM 1077 CG GLU A 72 7.042 -13.260 -2.917 1.00 1.07 C ATOM 1078 CD GLU A 72 7.017 -14.779 -3.156 1.00 1.28 C ATOM 1079 OE1 GLU A 72 7.971 -15.500 -2.772 1.00 1.97 O ATOM 1080 OE2 GLU A 72 6.021 -15.308 -3.706 1.00 2.08 O ATOM 0 H GLU A 72 8.524 -11.529 -1.196 1.00 1.00 H new ATOM 0 HA GLU A 72 9.644 -13.861 -2.210 1.00 0.95 H new ATOM 0 HB2 GLU A 72 8.163 -11.519 -3.501 1.00 1.05 H new ATOM 0 HB3 GLU A 72 8.575 -12.967 -4.398 1.00 1.05 H new ATOM 0 HG2 GLU A 72 6.917 -13.064 -1.852 1.00 1.07 H new ATOM 0 HG3 GLU A 72 6.193 -12.805 -3.426 1.00 1.07 H new ATOM 1087 N ALA A 73 11.172 -11.180 -3.401 1.00 1.27 N ATOM 1088 CA ALA A 73 12.347 -10.643 -4.107 1.00 1.33 C ATOM 1089 C ALA A 73 12.334 -10.957 -5.617 1.00 0.99 C ATOM 1090 O ALA A 73 13.367 -11.103 -6.275 1.00 1.06 O ATOM 1091 CB ALA A 73 13.650 -10.983 -3.368 1.00 1.82 C ATOM 0 H ALA A 73 10.583 -10.439 -3.020 1.00 1.27 H new ATOM 0 HA ALA A 73 12.290 -9.555 -4.082 1.00 1.33 H new ATOM 0 HB1 ALA A 73 14.497 -10.572 -3.916 1.00 1.82 H new ATOM 0 HB2 ALA A 73 13.623 -10.554 -2.367 1.00 1.82 H new ATOM 0 HB3 ALA A 73 13.756 -12.065 -3.296 1.00 1.82 H new ATOM 1097 N MET A 74 11.124 -11.046 -6.163 1.00 1.02 N ATOM 1098 CA MET A 74 10.797 -11.271 -7.566 1.00 0.83 C ATOM 1099 C MET A 74 9.463 -10.573 -7.913 1.00 0.83 C ATOM 1100 O MET A 74 8.649 -10.359 -7.008 1.00 1.09 O ATOM 1101 CB MET A 74 10.767 -12.776 -7.860 1.00 0.95 C ATOM 1102 CG MET A 74 9.837 -13.611 -6.977 1.00 2.15 C ATOM 1103 SD MET A 74 9.791 -15.363 -7.447 1.00 2.69 S ATOM 1104 CE MET A 74 8.548 -15.931 -6.265 1.00 4.70 C ATOM 0 H MET A 74 10.284 -10.956 -5.592 1.00 1.02 H new ATOM 0 HA MET A 74 11.566 -10.833 -8.203 1.00 0.83 H new ATOM 0 HB2 MET A 74 10.473 -12.918 -8.900 1.00 0.95 H new ATOM 0 HB3 MET A 74 11.780 -13.167 -7.759 1.00 0.95 H new ATOM 0 HG2 MET A 74 10.160 -13.528 -5.939 1.00 2.15 H new ATOM 0 HG3 MET A 74 8.829 -13.200 -7.031 1.00 2.15 H new ATOM 0 HE1 MET A 74 8.380 -17.000 -6.399 1.00 4.70 H new ATOM 0 HE2 MET A 74 8.899 -15.744 -5.250 1.00 4.70 H new ATOM 0 HE3 MET A 74 7.615 -15.393 -6.432 1.00 4.70 H new ATOM 1114 N PRO A 75 9.223 -10.197 -9.183 1.00 1.03 N ATOM 1115 CA PRO A 75 7.993 -9.522 -9.607 1.00 1.36 C ATOM 1116 C PRO A 75 6.698 -10.345 -9.431 1.00 0.99 C ATOM 1117 O PRO A 75 6.620 -11.505 -9.850 1.00 0.96 O ATOM 1118 CB PRO A 75 8.220 -9.155 -11.076 1.00 2.03 C ATOM 1119 CG PRO A 75 9.735 -9.076 -11.225 1.00 1.78 C ATOM 1120 CD PRO A 75 10.240 -10.110 -10.225 1.00 1.31 C ATOM 0 HA PRO A 75 7.822 -8.656 -8.968 1.00 1.36 H new ATOM 0 HB2 PRO A 75 7.795 -9.906 -11.742 1.00 2.03 H new ATOM 0 HB3 PRO A 75 7.747 -8.205 -11.324 1.00 2.03 H new ATOM 0 HG2 PRO A 75 10.052 -9.311 -12.241 1.00 1.78 H new ATOM 0 HG3 PRO A 75 10.110 -8.078 -10.996 1.00 1.78 H new ATOM 0 HD2 PRO A 75 10.389 -11.077 -10.706 1.00 1.31 H new ATOM 0 HD3 PRO A 75 11.201 -9.811 -9.807 1.00 1.31 H new ATOM 1128 N VAL A 76 5.657 -9.715 -8.876 1.00 0.87 N ATOM 1129 CA VAL A 76 4.328 -10.288 -8.570 1.00 0.68 C ATOM 1130 C VAL A 76 3.232 -9.599 -9.397 1.00 0.65 C ATOM 1131 O VAL A 76 3.226 -8.375 -9.522 1.00 0.77 O ATOM 1132 CB VAL A 76 4.041 -10.166 -7.054 1.00 0.70 C ATOM 1133 CG1 VAL A 76 2.645 -10.666 -6.664 1.00 0.83 C ATOM 1134 CG2 VAL A 76 5.060 -10.960 -6.224 1.00 0.74 C ATOM 0 H VAL A 76 5.716 -8.732 -8.610 1.00 0.87 H new ATOM 0 HA VAL A 76 4.329 -11.344 -8.840 1.00 0.68 H new ATOM 0 HB VAL A 76 4.112 -9.099 -6.840 1.00 0.70 H new ATOM 0 HG11 VAL A 76 2.506 -10.554 -5.589 1.00 0.83 H new ATOM 0 HG12 VAL A 76 1.889 -10.083 -7.191 1.00 0.83 H new ATOM 0 HG13 VAL A 76 2.546 -11.717 -6.935 1.00 0.83 H new ATOM 0 HG21 VAL A 76 4.829 -10.852 -5.164 1.00 0.74 H new ATOM 0 HG22 VAL A 76 5.013 -12.013 -6.501 1.00 0.74 H new ATOM 0 HG23 VAL A 76 6.063 -10.579 -6.417 1.00 0.74 H new ATOM 1144 N ALA A 77 2.292 -10.353 -9.972 1.00 0.68 N ATOM 1145 CA ALA A 77 1.260 -9.803 -10.861 1.00 0.66 C ATOM 1146 C ALA A 77 -0.002 -9.351 -10.100 1.00 0.59 C ATOM 1147 O ALA A 77 -0.532 -10.098 -9.269 1.00 0.71 O ATOM 1148 CB ALA A 77 0.938 -10.835 -11.948 1.00 0.85 C ATOM 0 H ALA A 77 2.223 -11.362 -9.836 1.00 0.68 H new ATOM 0 HA ALA A 77 1.651 -8.899 -11.328 1.00 0.66 H new ATOM 0 HB1 ALA A 77 0.172 -10.436 -12.613 1.00 0.85 H new ATOM 0 HB2 ALA A 77 1.839 -11.053 -12.521 1.00 0.85 H new ATOM 0 HB3 ALA A 77 0.573 -11.751 -11.483 1.00 0.85 H new ATOM 1154 N LYS A 78 -0.516 -8.148 -10.412 1.00 0.53 N ATOM 1155 CA LYS A 78 -1.762 -7.588 -9.846 1.00 0.59 C ATOM 1156 C LYS A 78 -2.758 -7.202 -10.943 1.00 0.73 C ATOM 1157 O LYS A 78 -2.378 -6.575 -11.933 1.00 0.96 O ATOM 1158 CB LYS A 78 -1.474 -6.363 -8.959 1.00 0.58 C ATOM 1159 CG LYS A 78 -0.449 -6.571 -7.836 1.00 0.49 C ATOM 1160 CD LYS A 78 -0.804 -7.653 -6.808 1.00 0.51 C ATOM 1161 CE LYS A 78 0.390 -7.861 -5.867 1.00 0.54 C ATOM 1162 NZ LYS A 78 0.152 -8.958 -4.905 1.00 0.73 N ATOM 0 H LYS A 78 -0.068 -7.521 -11.080 1.00 0.53 H new ATOM 0 HA LYS A 78 -2.206 -8.372 -9.233 1.00 0.59 H new ATOM 0 HB2 LYS A 78 -1.124 -5.551 -9.597 1.00 0.58 H new ATOM 0 HB3 LYS A 78 -2.412 -6.035 -8.511 1.00 0.58 H new ATOM 0 HG2 LYS A 78 0.511 -6.824 -8.287 1.00 0.49 H new ATOM 0 HG3 LYS A 78 -0.315 -5.625 -7.311 1.00 0.49 H new ATOM 0 HD2 LYS A 78 -1.685 -7.356 -6.238 1.00 0.51 H new ATOM 0 HD3 LYS A 78 -1.051 -8.586 -7.314 1.00 0.51 H new ATOM 0 HE2 LYS A 78 1.281 -8.081 -6.455 1.00 0.54 H new ATOM 0 HE3 LYS A 78 0.588 -6.938 -5.322 1.00 0.54 H new ATOM 0 HZ1 LYS A 78 0.961 -9.032 -4.256 1.00 0.73 H new ATOM 0 HZ2 LYS A 78 -0.712 -8.761 -4.361 1.00 0.73 H new ATOM 0 HZ3 LYS A 78 0.039 -9.854 -5.421 1.00 0.73 H new ATOM 1176 N LYS A 79 -4.034 -7.533 -10.723 1.00 0.67 N ATOM 1177 CA LYS A 79 -5.189 -7.290 -11.605 1.00 0.81 C ATOM 1178 C LYS A 79 -6.452 -7.079 -10.724 1.00 0.64 C ATOM 1179 O LYS A 79 -6.306 -7.150 -9.498 1.00 0.55 O ATOM 1180 CB LYS A 79 -5.256 -8.472 -12.597 1.00 1.15 C ATOM 1181 CG LYS A 79 -5.911 -9.741 -12.028 1.00 1.84 C ATOM 1182 CD LYS A 79 -5.693 -10.970 -12.918 1.00 1.95 C ATOM 1183 CE LYS A 79 -6.292 -10.756 -14.311 1.00 2.34 C ATOM 1184 NZ LYS A 79 -6.536 -12.030 -15.025 1.00 2.74 N ATOM 0 H LYS A 79 -4.311 -8.011 -9.866 1.00 0.67 H new ATOM 0 HA LYS A 79 -5.107 -6.382 -12.203 1.00 0.81 H new ATOM 0 HB2 LYS A 79 -5.810 -8.157 -13.482 1.00 1.15 H new ATOM 0 HB3 LYS A 79 -4.245 -8.715 -12.923 1.00 1.15 H new ATOM 0 HG2 LYS A 79 -5.506 -9.940 -11.036 1.00 1.84 H new ATOM 0 HG3 LYS A 79 -6.981 -9.570 -11.908 1.00 1.84 H new ATOM 0 HD2 LYS A 79 -4.626 -11.175 -13.005 1.00 1.95 H new ATOM 0 HD3 LYS A 79 -6.148 -11.845 -12.453 1.00 1.95 H new ATOM 0 HE2 LYS A 79 -7.230 -10.209 -14.219 1.00 2.34 H new ATOM 0 HE3 LYS A 79 -5.618 -10.136 -14.902 1.00 2.34 H new ATOM 0 HZ1 LYS A 79 -6.941 -11.831 -15.962 1.00 2.74 H new ATOM 0 HZ2 LYS A 79 -5.638 -12.542 -15.138 1.00 2.74 H new ATOM 0 HZ3 LYS A 79 -7.200 -12.613 -14.477 1.00 2.74 H new ATOM 1198 N PRO A 80 -7.676 -6.817 -11.233 1.00 0.67 N ATOM 1199 CA PRO A 80 -8.872 -6.823 -10.383 1.00 0.61 C ATOM 1200 C PRO A 80 -9.056 -8.160 -9.642 1.00 0.61 C ATOM 1201 O PRO A 80 -8.836 -9.233 -10.200 1.00 0.80 O ATOM 1202 CB PRO A 80 -10.059 -6.509 -11.307 1.00 0.71 C ATOM 1203 CG PRO A 80 -9.543 -6.896 -12.691 1.00 0.77 C ATOM 1204 CD PRO A 80 -8.067 -6.525 -12.604 1.00 0.82 C ATOM 0 HA PRO A 80 -8.785 -6.077 -9.593 1.00 0.61 H new ATOM 0 HB2 PRO A 80 -10.944 -7.083 -11.033 1.00 0.71 H new ATOM 0 HB3 PRO A 80 -10.336 -5.456 -11.262 1.00 0.71 H new ATOM 0 HG2 PRO A 80 -9.684 -7.957 -12.895 1.00 0.77 H new ATOM 0 HG3 PRO A 80 -10.054 -6.348 -13.483 1.00 0.77 H new ATOM 0 HD2 PRO A 80 -7.474 -7.103 -13.313 1.00 0.82 H new ATOM 0 HD3 PRO A 80 -7.912 -5.473 -12.841 1.00 0.82 H new ATOM 1212 N GLY A 81 -9.460 -8.097 -8.372 1.00 0.60 N ATOM 1213 CA GLY A 81 -9.572 -9.252 -7.477 1.00 0.65 C ATOM 1214 C GLY A 81 -8.252 -9.709 -6.833 1.00 0.60 C ATOM 1215 O GLY A 81 -8.234 -10.785 -6.229 1.00 0.77 O ATOM 0 H GLY A 81 -9.725 -7.219 -7.925 1.00 0.60 H new ATOM 0 HA2 GLY A 81 -10.280 -9.011 -6.685 1.00 0.65 H new ATOM 0 HA3 GLY A 81 -9.993 -10.087 -8.037 1.00 0.65 H new ATOM 1219 N SER A 82 -7.167 -8.925 -6.919 1.00 0.63 N ATOM 1220 CA SER A 82 -5.860 -9.243 -6.295 1.00 0.56 C ATOM 1221 C SER A 82 -5.654 -8.431 -5.008 1.00 0.54 C ATOM 1222 O SER A 82 -6.356 -7.449 -4.784 1.00 0.63 O ATOM 1223 CB SER A 82 -4.688 -8.956 -7.252 1.00 0.52 C ATOM 1224 OG SER A 82 -4.732 -9.694 -8.463 1.00 1.71 O ATOM 0 H SER A 82 -7.165 -8.041 -7.428 1.00 0.63 H new ATOM 0 HA SER A 82 -5.876 -10.308 -6.061 1.00 0.56 H new ATOM 0 HB2 SER A 82 -4.679 -7.892 -7.488 1.00 0.52 H new ATOM 0 HB3 SER A 82 -3.752 -9.177 -6.739 1.00 0.52 H new ATOM 0 HG SER A 82 -3.819 -9.851 -8.784 1.00 1.71 H new ATOM 1230 N THR A 83 -4.675 -8.765 -4.163 1.00 0.56 N ATOM 1231 CA THR A 83 -4.367 -8.025 -2.918 1.00 0.56 C ATOM 1232 C THR A 83 -2.964 -7.410 -2.923 1.00 0.54 C ATOM 1233 O THR A 83 -2.062 -7.891 -3.612 1.00 0.57 O ATOM 1234 CB THR A 83 -4.557 -8.904 -1.675 1.00 0.65 C ATOM 1235 OG1 THR A 83 -3.693 -10.012 -1.743 1.00 0.74 O ATOM 1236 CG2 THR A 83 -5.988 -9.425 -1.543 1.00 0.79 C ATOM 0 H THR A 83 -4.062 -9.565 -4.318 1.00 0.56 H new ATOM 0 HA THR A 83 -5.082 -7.203 -2.877 1.00 0.56 H new ATOM 0 HB THR A 83 -4.335 -8.281 -0.809 1.00 0.65 H new ATOM 0 HG1 THR A 83 -3.815 -10.571 -0.947 1.00 0.74 H new ATOM 0 HG21 THR A 83 -6.070 -10.041 -0.648 1.00 0.79 H new ATOM 0 HG22 THR A 83 -6.676 -8.583 -1.468 1.00 0.79 H new ATOM 0 HG23 THR A 83 -6.240 -10.023 -2.419 1.00 0.79 H new ATOM 1244 N VAL A 84 -2.775 -6.316 -2.180 1.00 0.54 N ATOM 1245 CA VAL A 84 -1.524 -5.536 -2.095 1.00 0.55 C ATOM 1246 C VAL A 84 -1.195 -5.128 -0.658 1.00 0.59 C ATOM 1247 O VAL A 84 -2.076 -5.043 0.202 1.00 0.61 O ATOM 1248 CB VAL A 84 -1.563 -4.284 -3.001 1.00 0.52 C ATOM 1249 CG1 VAL A 84 -1.451 -4.678 -4.478 1.00 0.54 C ATOM 1250 CG2 VAL A 84 -2.817 -3.423 -2.796 1.00 0.53 C ATOM 0 H VAL A 84 -3.516 -5.929 -1.595 1.00 0.54 H new ATOM 0 HA VAL A 84 -0.733 -6.196 -2.451 1.00 0.55 H new ATOM 0 HB VAL A 84 -0.704 -3.679 -2.709 1.00 0.52 H new ATOM 0 HG11 VAL A 84 -1.481 -3.781 -5.097 1.00 0.54 H new ATOM 0 HG12 VAL A 84 -0.510 -5.203 -4.644 1.00 0.54 H new ATOM 0 HG13 VAL A 84 -2.282 -5.331 -4.745 1.00 0.54 H new ATOM 0 HG21 VAL A 84 -2.780 -2.561 -3.463 1.00 0.53 H new ATOM 0 HG22 VAL A 84 -3.705 -4.015 -3.017 1.00 0.53 H new ATOM 0 HG23 VAL A 84 -2.858 -3.080 -1.762 1.00 0.53 H new ATOM 1260 N ILE A 85 0.087 -4.857 -0.404 1.00 0.65 N ATOM 1261 CA ILE A 85 0.640 -4.467 0.900 1.00 0.70 C ATOM 1262 C ILE A 85 1.528 -3.224 0.789 1.00 0.80 C ATOM 1263 O ILE A 85 2.246 -3.033 -0.196 1.00 1.12 O ATOM 1264 CB ILE A 85 1.378 -5.630 1.611 1.00 0.77 C ATOM 1265 CG1 ILE A 85 1.923 -6.771 0.720 1.00 1.17 C ATOM 1266 CG2 ILE A 85 0.443 -6.260 2.646 1.00 0.79 C ATOM 1267 CD1 ILE A 85 2.999 -6.329 -0.270 1.00 0.88 C ATOM 0 H ILE A 85 0.801 -4.905 -1.131 1.00 0.65 H new ATOM 0 HA ILE A 85 -0.212 -4.211 1.529 1.00 0.70 H new ATOM 0 HB ILE A 85 2.258 -5.152 2.041 1.00 0.77 H new ATOM 0 HG12 ILE A 85 2.332 -7.553 1.360 1.00 1.17 H new ATOM 0 HG13 ILE A 85 1.094 -7.213 0.166 1.00 1.17 H new ATOM 0 HG21 ILE A 85 0.957 -7.079 3.150 1.00 0.79 H new ATOM 0 HG22 ILE A 85 0.153 -5.508 3.380 1.00 0.79 H new ATOM 0 HG23 ILE A 85 -0.447 -6.642 2.147 1.00 0.79 H new ATOM 0 HD11 ILE A 85 3.328 -7.187 -0.856 1.00 0.88 H new ATOM 0 HD12 ILE A 85 2.590 -5.569 -0.936 1.00 0.88 H new ATOM 0 HD13 ILE A 85 3.847 -5.915 0.275 1.00 0.88 H new ATOM 1279 N ALA A 86 1.455 -2.370 1.812 1.00 0.70 N ATOM 1280 CA ALA A 86 2.068 -1.047 1.804 1.00 0.72 C ATOM 1281 C ALA A 86 3.606 -1.084 1.731 1.00 0.67 C ATOM 1282 O ALA A 86 4.233 -2.061 2.135 1.00 0.68 O ATOM 1283 CB ALA A 86 1.578 -0.263 3.024 1.00 0.75 C ATOM 0 H ALA A 86 0.961 -2.584 2.679 1.00 0.70 H new ATOM 0 HA ALA A 86 1.756 -0.540 0.891 1.00 0.72 H new ATOM 0 HB1 ALA A 86 2.032 0.728 3.026 1.00 0.75 H new ATOM 0 HB2 ALA A 86 0.493 -0.165 2.982 1.00 0.75 H new ATOM 0 HB3 ALA A 86 1.860 -0.793 3.934 1.00 0.75 H new ATOM 1289 N GLY A 87 4.220 -0.025 1.198 1.00 0.66 N ATOM 1290 CA GLY A 87 5.679 0.053 1.041 1.00 0.70 C ATOM 1291 C GLY A 87 6.251 -0.784 -0.114 1.00 0.72 C ATOM 1292 O GLY A 87 7.458 -0.771 -0.350 1.00 0.87 O ATOM 0 H GLY A 87 3.724 0.801 0.863 1.00 0.66 H new ATOM 0 HA2 GLY A 87 5.958 1.095 0.888 1.00 0.70 H new ATOM 0 HA3 GLY A 87 6.148 -0.269 1.971 1.00 0.70 H new ATOM 1296 N SER A 88 5.406 -1.510 -0.848 1.00 0.65 N ATOM 1297 CA SER A 88 5.784 -2.179 -2.104 1.00 0.65 C ATOM 1298 C SER A 88 5.584 -1.254 -3.316 1.00 0.59 C ATOM 1299 O SER A 88 4.799 -0.305 -3.243 1.00 0.60 O ATOM 1300 CB SER A 88 5.022 -3.497 -2.231 1.00 0.70 C ATOM 1301 OG SER A 88 5.317 -4.275 -1.084 1.00 2.45 O ATOM 0 H SER A 88 4.430 -1.654 -0.589 1.00 0.65 H new ATOM 0 HA SER A 88 6.849 -2.411 -2.082 1.00 0.65 H new ATOM 0 HB2 SER A 88 3.950 -3.314 -2.304 1.00 0.70 H new ATOM 0 HB3 SER A 88 5.318 -4.024 -3.138 1.00 0.70 H new ATOM 0 HG SER A 88 4.771 -3.967 -0.331 1.00 2.45 H new ATOM 1307 N ILE A 89 6.306 -1.514 -4.412 1.00 0.58 N ATOM 1308 CA ILE A 89 6.394 -0.623 -5.591 1.00 0.58 C ATOM 1309 C ILE A 89 5.584 -1.187 -6.775 1.00 0.55 C ATOM 1310 O ILE A 89 5.542 -2.403 -6.944 1.00 0.59 O ATOM 1311 CB ILE A 89 7.866 -0.362 -6.018 1.00 0.69 C ATOM 1312 CG1 ILE A 89 8.949 -0.523 -4.920 1.00 0.81 C ATOM 1313 CG2 ILE A 89 7.975 1.032 -6.666 1.00 0.72 C ATOM 1314 CD1 ILE A 89 8.876 0.453 -3.738 1.00 0.84 C ATOM 0 H ILE A 89 6.859 -2.365 -4.513 1.00 0.58 H new ATOM 0 HA ILE A 89 5.961 0.333 -5.296 1.00 0.58 H new ATOM 0 HB ILE A 89 8.090 -1.159 -6.727 1.00 0.69 H new ATOM 0 HG12 ILE A 89 8.889 -1.538 -4.528 1.00 0.81 H new ATOM 0 HG13 ILE A 89 9.928 -0.419 -5.388 1.00 0.81 H new ATOM 0 HG21 ILE A 89 9.007 1.214 -6.965 1.00 0.72 H new ATOM 0 HG22 ILE A 89 7.330 1.077 -7.543 1.00 0.72 H new ATOM 0 HG23 ILE A 89 7.665 1.792 -5.949 1.00 0.72 H new ATOM 0 HD11 ILE A 89 9.685 0.239 -3.039 1.00 0.84 H new ATOM 0 HD12 ILE A 89 8.973 1.475 -4.104 1.00 0.84 H new ATOM 0 HD13 ILE A 89 7.918 0.339 -3.230 1.00 0.84 H new ATOM 1326 N ASN A 90 4.968 -0.324 -7.590 1.00 0.61 N ATOM 1327 CA ASN A 90 4.058 -0.651 -8.703 1.00 0.58 C ATOM 1328 C ASN A 90 4.630 -0.215 -10.075 1.00 0.77 C ATOM 1329 O ASN A 90 5.139 0.896 -10.189 1.00 0.94 O ATOM 1330 CB ASN A 90 2.733 0.066 -8.379 1.00 0.62 C ATOM 1331 CG ASN A 90 1.619 -0.247 -9.340 1.00 0.86 C ATOM 1332 OD1 ASN A 90 1.075 -1.335 -9.355 1.00 1.77 O ATOM 1333 ND2 ASN A 90 1.230 0.705 -10.147 1.00 0.41 N ATOM 0 H ASN A 90 5.096 0.683 -7.488 1.00 0.61 H new ATOM 0 HA ASN A 90 3.917 -1.728 -8.791 1.00 0.58 H new ATOM 0 HB2 ASN A 90 2.419 -0.210 -7.372 1.00 0.62 H new ATOM 0 HB3 ASN A 90 2.905 1.142 -8.376 1.00 0.62 H new ATOM 0 HD21 ASN A 90 0.463 0.540 -10.798 1.00 0.41 H new ATOM 0 HD22 ASN A 90 1.694 1.613 -10.125 1.00 0.41 H new ATOM 1340 N GLN A 91 4.533 -1.029 -11.136 1.00 0.87 N ATOM 1341 CA GLN A 91 5.192 -0.792 -12.435 1.00 1.03 C ATOM 1342 C GLN A 91 4.455 -1.462 -13.621 1.00 1.53 C ATOM 1343 O GLN A 91 4.060 -2.619 -13.531 1.00 3.01 O ATOM 1344 CB GLN A 91 6.631 -1.345 -12.337 1.00 1.10 C ATOM 1345 CG GLN A 91 7.626 -0.768 -13.359 1.00 1.61 C ATOM 1346 CD GLN A 91 8.165 0.593 -12.926 1.00 2.20 C ATOM 1347 OE1 GLN A 91 9.193 0.706 -12.269 1.00 2.76 O ATOM 1348 NE2 GLN A 91 7.511 1.679 -13.261 1.00 2.93 N ATOM 0 H GLN A 91 3.984 -1.888 -11.118 1.00 0.87 H new ATOM 0 HA GLN A 91 5.182 0.279 -12.635 1.00 1.03 H new ATOM 0 HB2 GLN A 91 7.011 -1.149 -11.334 1.00 1.10 H new ATOM 0 HB3 GLN A 91 6.596 -2.428 -12.459 1.00 1.10 H new ATOM 0 HG2 GLN A 91 8.456 -1.462 -13.489 1.00 1.61 H new ATOM 0 HG3 GLN A 91 7.136 -0.672 -14.328 1.00 1.61 H new ATOM 0 HE21 GLN A 91 6.653 1.609 -13.808 1.00 2.93 H new ATOM 0 HE22 GLN A 91 7.861 2.594 -12.975 1.00 2.93 H new ATOM 1357 N ASN A 92 4.364 -0.768 -14.765 1.00 1.16 N ATOM 1358 CA ASN A 92 3.713 -1.119 -16.050 1.00 1.55 C ATOM 1359 C ASN A 92 2.218 -0.750 -16.175 1.00 1.49 C ATOM 1360 O ASN A 92 1.626 -0.910 -17.245 1.00 2.63 O ATOM 1361 CB ASN A 92 4.061 -2.544 -16.540 1.00 2.10 C ATOM 1362 CG ASN A 92 3.654 -2.759 -17.992 1.00 2.69 C ATOM 1363 OD1 ASN A 92 4.206 -2.157 -18.905 1.00 3.14 O ATOM 1364 ND2 ASN A 92 2.655 -3.570 -18.262 1.00 2.96 N ATOM 0 H ASN A 92 4.790 0.157 -14.826 1.00 1.16 H new ATOM 0 HA ASN A 92 4.176 -0.439 -16.765 1.00 1.55 H new ATOM 0 HB2 ASN A 92 5.133 -2.713 -16.434 1.00 2.10 H new ATOM 0 HB3 ASN A 92 3.559 -3.278 -15.909 1.00 2.10 H new ATOM 0 HD21 ASN A 92 2.345 -3.694 -19.226 1.00 2.96 H new ATOM 0 HD22 ASN A 92 2.190 -4.075 -17.508 1.00 2.96 H new ATOM 1371 N GLY A 93 1.601 -0.180 -15.141 1.00 0.91 N ATOM 1372 CA GLY A 93 0.210 0.254 -15.243 1.00 1.15 C ATOM 1373 C GLY A 93 -0.394 0.819 -13.955 1.00 1.12 C ATOM 1374 O GLY A 93 0.146 0.635 -12.860 1.00 1.94 O ATOM 0 H GLY A 93 2.036 -0.010 -14.234 1.00 0.91 H new ATOM 0 HA2 GLY A 93 0.140 1.013 -16.022 1.00 1.15 H new ATOM 0 HA3 GLY A 93 -0.395 -0.593 -15.568 1.00 1.15 H new ATOM 1378 N SER A 94 -1.517 1.525 -14.100 1.00 0.76 N ATOM 1379 CA SER A 94 -2.287 2.157 -13.022 1.00 0.72 C ATOM 1380 C SER A 94 -3.491 1.309 -12.599 1.00 0.69 C ATOM 1381 O SER A 94 -4.119 0.647 -13.428 1.00 0.96 O ATOM 1382 CB SER A 94 -2.700 3.591 -13.396 1.00 1.05 C ATOM 1383 OG SER A 94 -3.670 3.670 -14.436 1.00 1.98 O ATOM 0 H SER A 94 -1.936 1.680 -15.017 1.00 0.76 H new ATOM 0 HA SER A 94 -1.631 2.221 -12.154 1.00 0.72 H new ATOM 0 HB2 SER A 94 -3.095 4.086 -12.509 1.00 1.05 H new ATOM 0 HB3 SER A 94 -1.812 4.144 -13.701 1.00 1.05 H new ATOM 0 HG SER A 94 -3.882 4.610 -14.615 1.00 1.98 H new ATOM 1389 N LEU A 95 -3.798 1.320 -11.299 1.00 0.59 N ATOM 1390 CA LEU A 95 -4.807 0.460 -10.665 1.00 0.58 C ATOM 1391 C LEU A 95 -5.691 1.259 -9.686 1.00 0.55 C ATOM 1392 O LEU A 95 -5.271 2.306 -9.185 1.00 0.54 O ATOM 1393 CB LEU A 95 -4.085 -0.655 -9.879 1.00 0.55 C ATOM 1394 CG LEU A 95 -3.125 -1.596 -10.622 1.00 0.81 C ATOM 1395 CD1 LEU A 95 -2.341 -2.438 -9.612 1.00 0.76 C ATOM 1396 CD2 LEU A 95 -3.897 -2.540 -11.525 1.00 1.07 C ATOM 0 H LEU A 95 -3.339 1.945 -10.637 1.00 0.59 H new ATOM 0 HA LEU A 95 -5.443 0.043 -11.445 1.00 0.58 H new ATOM 0 HB2 LEU A 95 -3.522 -0.178 -9.077 1.00 0.55 H new ATOM 0 HB3 LEU A 95 -4.850 -1.272 -9.408 1.00 0.55 H new ATOM 0 HG LEU A 95 -2.447 -0.986 -11.220 1.00 0.81 H new ATOM 0 HD11 LEU A 95 -1.661 -3.104 -10.143 1.00 0.76 H new ATOM 0 HD12 LEU A 95 -1.768 -1.781 -8.958 1.00 0.76 H new ATOM 0 HD13 LEU A 95 -3.035 -3.029 -9.015 1.00 0.76 H new ATOM 0 HD21 LEU A 95 -3.200 -3.199 -12.043 1.00 1.07 H new ATOM 0 HD22 LEU A 95 -4.584 -3.137 -10.925 1.00 1.07 H new ATOM 0 HD23 LEU A 95 -4.463 -1.963 -12.256 1.00 1.07 H new ATOM 1408 N LEU A 96 -6.878 0.736 -9.353 1.00 0.56 N ATOM 1409 CA LEU A 96 -7.719 1.249 -8.256 1.00 0.55 C ATOM 1410 C LEU A 96 -7.709 0.274 -7.073 1.00 0.47 C ATOM 1411 O LEU A 96 -7.968 -0.924 -7.238 1.00 0.49 O ATOM 1412 CB LEU A 96 -9.158 1.550 -8.724 1.00 0.74 C ATOM 1413 CG LEU A 96 -9.268 2.815 -9.594 1.00 1.04 C ATOM 1414 CD1 LEU A 96 -10.598 2.883 -10.339 1.00 2.26 C ATOM 1415 CD2 LEU A 96 -9.200 4.073 -8.728 1.00 2.19 C ATOM 0 H LEU A 96 -7.288 -0.061 -9.839 1.00 0.56 H new ATOM 0 HA LEU A 96 -7.292 2.196 -7.925 1.00 0.55 H new ATOM 0 HB2 LEU A 96 -9.534 0.697 -9.288 1.00 0.74 H new ATOM 0 HB3 LEU A 96 -9.800 1.662 -7.850 1.00 0.74 H new ATOM 0 HG LEU A 96 -8.439 2.765 -10.300 1.00 1.04 H new ATOM 0 HD11 LEU A 96 -10.632 3.792 -10.940 1.00 2.26 H new ATOM 0 HD12 LEU A 96 -10.696 2.014 -10.989 1.00 2.26 H new ATOM 0 HD13 LEU A 96 -11.418 2.892 -9.620 1.00 2.26 H new ATOM 0 HD21 LEU A 96 -9.280 4.956 -9.362 1.00 2.19 H new ATOM 0 HD22 LEU A 96 -10.021 4.066 -8.011 1.00 2.19 H new ATOM 0 HD23 LEU A 96 -8.251 4.095 -8.192 1.00 2.19 H new ATOM 1427 N ILE A 97 -7.400 0.805 -5.888 1.00 0.42 N ATOM 1428 CA ILE A 97 -7.194 0.064 -4.642 1.00 0.41 C ATOM 1429 C ILE A 97 -8.244 0.474 -3.598 1.00 0.40 C ATOM 1430 O ILE A 97 -8.339 1.651 -3.243 1.00 0.39 O ATOM 1431 CB ILE A 97 -5.767 0.323 -4.085 1.00 0.49 C ATOM 1432 CG1 ILE A 97 -4.637 0.414 -5.137 1.00 0.78 C ATOM 1433 CG2 ILE A 97 -5.430 -0.726 -3.009 1.00 0.61 C ATOM 1434 CD1 ILE A 97 -4.405 -0.868 -5.936 1.00 1.70 C ATOM 0 H ILE A 97 -7.281 1.811 -5.766 1.00 0.42 H new ATOM 0 HA ILE A 97 -7.301 -1.000 -4.854 1.00 0.41 H new ATOM 0 HB ILE A 97 -5.806 1.323 -3.654 1.00 0.49 H new ATOM 0 HG12 ILE A 97 -4.869 1.222 -5.831 1.00 0.78 H new ATOM 0 HG13 ILE A 97 -3.710 0.684 -4.632 1.00 0.78 H new ATOM 0 HG21 ILE A 97 -4.428 -0.541 -2.621 1.00 0.61 H new ATOM 0 HG22 ILE A 97 -6.152 -0.658 -2.196 1.00 0.61 H new ATOM 0 HG23 ILE A 97 -5.470 -1.723 -3.448 1.00 0.61 H new ATOM 0 HD11 ILE A 97 -3.595 -0.711 -6.649 1.00 1.70 H new ATOM 0 HD12 ILE A 97 -4.138 -1.677 -5.256 1.00 1.70 H new ATOM 0 HD13 ILE A 97 -5.316 -1.131 -6.474 1.00 1.70 H new ATOM 1446 N CYS A 98 -8.995 -0.480 -3.049 1.00 0.44 N ATOM 1447 CA CYS A 98 -9.852 -0.236 -1.888 1.00 0.50 C ATOM 1448 C CYS A 98 -9.038 -0.436 -0.596 1.00 0.58 C ATOM 1449 O CYS A 98 -8.618 -1.550 -0.259 1.00 0.63 O ATOM 1450 CB CYS A 98 -11.138 -1.073 -1.972 1.00 0.54 C ATOM 1451 SG CYS A 98 -10.797 -2.846 -2.096 1.00 1.57 S ATOM 0 H CYS A 98 -9.027 -1.439 -3.394 1.00 0.44 H new ATOM 0 HA CYS A 98 -10.193 0.799 -1.877 1.00 0.50 H new ATOM 0 HB2 CYS A 98 -11.750 -0.884 -1.090 1.00 0.54 H new ATOM 0 HB3 CYS A 98 -11.719 -0.756 -2.838 1.00 0.54 H new ATOM 0 HG CYS A 98 -9.619 -3.026 -2.617 1.00 1.57 H new ATOM 1457 N ALA A 99 -8.788 0.661 0.122 1.00 0.67 N ATOM 1458 CA ALA A 99 -8.085 0.647 1.400 1.00 0.74 C ATOM 1459 C ALA A 99 -9.051 0.234 2.521 1.00 0.75 C ATOM 1460 O ALA A 99 -10.042 0.923 2.750 1.00 0.92 O ATOM 1461 CB ALA A 99 -7.486 2.037 1.643 1.00 0.86 C ATOM 0 H ALA A 99 -9.073 1.594 -0.174 1.00 0.67 H new ATOM 0 HA ALA A 99 -7.275 -0.082 1.386 1.00 0.74 H new ATOM 0 HB1 ALA A 99 -6.956 2.043 2.596 1.00 0.86 H new ATOM 0 HB2 ALA A 99 -6.790 2.279 0.839 1.00 0.86 H new ATOM 0 HB3 ALA A 99 -8.285 2.778 1.667 1.00 0.86 H new ATOM 1467 N THR A 100 -8.773 -0.875 3.217 1.00 0.73 N ATOM 1468 CA THR A 100 -9.646 -1.412 4.288 1.00 0.79 C ATOM 1469 C THR A 100 -8.953 -1.495 5.668 1.00 0.78 C ATOM 1470 O THR A 100 -9.513 -1.985 6.653 1.00 0.82 O ATOM 1471 CB THR A 100 -10.326 -2.708 3.810 1.00 1.00 C ATOM 1472 OG1 THR A 100 -11.505 -2.960 4.539 1.00 2.56 O ATOM 1473 CG2 THR A 100 -9.436 -3.944 3.900 1.00 1.88 C ATOM 0 H THR A 100 -7.934 -1.433 3.058 1.00 0.73 H new ATOM 0 HA THR A 100 -10.446 -0.696 4.477 1.00 0.79 H new ATOM 0 HB THR A 100 -10.549 -2.533 2.758 1.00 1.00 H new ATOM 0 HG1 THR A 100 -11.353 -2.758 5.486 1.00 2.56 H new ATOM 0 HG21 THR A 100 -9.987 -4.815 3.546 1.00 1.88 H new ATOM 0 HG22 THR A 100 -8.549 -3.799 3.283 1.00 1.88 H new ATOM 0 HG23 THR A 100 -9.136 -4.101 4.936 1.00 1.88 H new ATOM 1481 N HIS A 101 -7.751 -0.921 5.772 1.00 0.78 N ATOM 1482 CA HIS A 101 -6.994 -0.696 7.006 1.00 0.81 C ATOM 1483 C HIS A 101 -6.365 0.708 6.931 1.00 0.78 C ATOM 1484 O HIS A 101 -5.878 1.098 5.869 1.00 0.79 O ATOM 1485 CB HIS A 101 -5.889 -1.765 7.167 1.00 0.91 C ATOM 1486 CG HIS A 101 -6.299 -3.180 6.824 1.00 1.12 C ATOM 1487 ND1 HIS A 101 -6.221 -3.753 5.575 1.00 1.34 N ATOM 1488 CD2 HIS A 101 -6.789 -4.138 7.673 1.00 1.48 C ATOM 1489 CE1 HIS A 101 -6.665 -5.015 5.661 1.00 1.67 C ATOM 1490 NE2 HIS A 101 -7.025 -5.304 6.924 1.00 1.73 N ATOM 0 H HIS A 101 -7.252 -0.582 4.950 1.00 0.78 H new ATOM 0 HA HIS A 101 -7.658 -0.769 7.867 1.00 0.81 H new ATOM 0 HB2 HIS A 101 -5.044 -1.487 6.537 1.00 0.91 H new ATOM 0 HB3 HIS A 101 -5.537 -1.747 8.199 1.00 0.91 H new ATOM 0 HD1 HIS A 101 -5.883 -3.295 4.728 1.00 1.34 H new ATOM 0 HD2 HIS A 101 -6.963 -4.018 8.732 1.00 1.48 H new ATOM 0 HE1 HIS A 101 -6.725 -5.704 4.831 1.00 1.67 H new ATOM 1498 N VAL A 102 -6.365 1.463 8.033 1.00 0.79 N ATOM 1499 CA VAL A 102 -5.625 2.741 8.155 1.00 0.83 C ATOM 1500 C VAL A 102 -4.170 2.518 8.591 1.00 0.89 C ATOM 1501 O VAL A 102 -3.772 1.382 8.855 1.00 0.92 O ATOM 1502 CB VAL A 102 -6.383 3.761 9.028 1.00 0.91 C ATOM 1503 CG1 VAL A 102 -7.592 4.313 8.266 1.00 1.64 C ATOM 1504 CG2 VAL A 102 -6.866 3.173 10.357 1.00 1.45 C ATOM 0 H VAL A 102 -6.880 1.211 8.877 1.00 0.79 H new ATOM 0 HA VAL A 102 -5.569 3.188 7.163 1.00 0.83 H new ATOM 0 HB VAL A 102 -5.672 4.556 9.255 1.00 0.91 H new ATOM 0 HG11 VAL A 102 -8.120 5.032 8.892 1.00 1.64 H new ATOM 0 HG12 VAL A 102 -7.254 4.805 7.354 1.00 1.64 H new ATOM 0 HG13 VAL A 102 -8.264 3.495 8.008 1.00 1.64 H new ATOM 0 HG21 VAL A 102 -7.392 3.941 10.925 1.00 1.45 H new ATOM 0 HG22 VAL A 102 -7.541 2.340 10.162 1.00 1.45 H new ATOM 0 HG23 VAL A 102 -6.010 2.820 10.931 1.00 1.45 H new ATOM 1514 N GLY A 103 -3.342 3.569 8.639 1.00 1.01 N ATOM 1515 CA GLY A 103 -1.889 3.442 8.810 1.00 1.16 C ATOM 1516 C GLY A 103 -1.453 2.753 10.105 1.00 1.22 C ATOM 1517 O GLY A 103 -0.523 1.950 10.087 1.00 1.30 O ATOM 0 H GLY A 103 -3.662 4.534 8.560 1.00 1.01 H new ATOM 0 HA2 GLY A 103 -1.485 2.885 7.965 1.00 1.16 H new ATOM 0 HA3 GLY A 103 -1.445 4.437 8.777 1.00 1.16 H new ATOM 1521 N ALA A 104 -2.153 2.974 11.219 1.00 1.27 N ATOM 1522 CA ALA A 104 -1.884 2.267 12.473 1.00 1.38 C ATOM 1523 C ALA A 104 -2.319 0.787 12.425 1.00 1.23 C ATOM 1524 O ALA A 104 -1.665 -0.078 13.012 1.00 1.28 O ATOM 1525 CB ALA A 104 -2.567 3.025 13.618 1.00 1.63 C ATOM 0 H ALA A 104 -2.919 3.645 11.278 1.00 1.27 H new ATOM 0 HA ALA A 104 -0.807 2.246 12.639 1.00 1.38 H new ATOM 0 HB1 ALA A 104 -2.376 2.511 14.560 1.00 1.63 H new ATOM 0 HB2 ALA A 104 -2.170 4.039 13.671 1.00 1.63 H new ATOM 0 HB3 ALA A 104 -3.641 3.065 13.438 1.00 1.63 H new ATOM 1531 N ASP A 105 -3.438 0.492 11.755 1.00 1.13 N ATOM 1532 CA ASP A 105 -4.004 -0.854 11.572 1.00 1.11 C ATOM 1533 C ASP A 105 -3.327 -1.728 10.488 1.00 0.97 C ATOM 1534 O ASP A 105 -3.620 -2.923 10.397 1.00 1.09 O ATOM 1535 CB ASP A 105 -5.524 -0.732 11.376 1.00 1.27 C ATOM 1536 CG ASP A 105 -6.311 -2.015 11.684 1.00 1.54 C ATOM 1537 OD1 ASP A 105 -5.868 -2.851 12.514 1.00 2.27 O ATOM 1538 OD2 ASP A 105 -7.438 -2.148 11.152 1.00 2.13 O ATOM 0 H ASP A 105 -4.000 1.214 11.305 1.00 1.13 H new ATOM 0 HA ASP A 105 -3.788 -1.411 12.484 1.00 1.11 H new ATOM 0 HB2 ASP A 105 -5.897 0.070 12.014 1.00 1.27 H new ATOM 0 HB3 ASP A 105 -5.722 -0.438 10.345 1.00 1.27 H new ATOM 1543 N THR A 106 -2.439 -1.179 9.654 1.00 0.86 N ATOM 1544 CA THR A 106 -1.807 -1.914 8.536 1.00 0.90 C ATOM 1545 C THR A 106 -0.702 -2.862 9.012 1.00 1.00 C ATOM 1546 O THR A 106 -0.096 -2.640 10.065 1.00 1.02 O ATOM 1547 CB THR A 106 -1.308 -0.936 7.460 1.00 1.05 C ATOM 1548 OG1 THR A 106 -1.246 -1.536 6.179 1.00 2.87 O ATOM 1549 CG2 THR A 106 0.077 -0.347 7.721 1.00 1.89 C ATOM 0 H THR A 106 -2.132 -0.209 9.729 1.00 0.86 H new ATOM 0 HA THR A 106 -2.570 -2.548 8.084 1.00 0.90 H new ATOM 0 HB THR A 106 -2.049 -0.138 7.500 1.00 1.05 H new ATOM 0 HG1 THR A 106 -1.813 -2.335 6.164 1.00 2.87 H new ATOM 0 HG21 THR A 106 0.343 0.330 6.909 1.00 1.89 H new ATOM 0 HG22 THR A 106 0.068 0.201 8.663 1.00 1.89 H new ATOM 0 HG23 THR A 106 0.810 -1.152 7.777 1.00 1.89 H new ATOM 1557 N THR A 107 -0.394 -3.906 8.231 1.00 1.14 N ATOM 1558 CA THR A 107 0.524 -4.980 8.665 1.00 1.19 C ATOM 1559 C THR A 107 1.915 -4.465 9.078 1.00 1.06 C ATOM 1560 O THR A 107 2.456 -4.939 10.070 1.00 1.02 O ATOM 1561 CB THR A 107 0.592 -6.117 7.626 1.00 1.45 C ATOM 1562 OG1 THR A 107 1.346 -7.212 8.102 1.00 1.92 O ATOM 1563 CG2 THR A 107 1.224 -5.710 6.297 1.00 1.94 C ATOM 0 H THR A 107 -0.767 -4.034 7.290 1.00 1.14 H new ATOM 0 HA THR A 107 0.099 -5.402 9.576 1.00 1.19 H new ATOM 0 HB THR A 107 -0.453 -6.381 7.463 1.00 1.45 H new ATOM 0 HG1 THR A 107 1.368 -7.915 7.420 1.00 1.92 H new ATOM 0 HG21 THR A 107 1.234 -6.566 5.622 1.00 1.94 H new ATOM 0 HG22 THR A 107 0.644 -4.902 5.851 1.00 1.94 H new ATOM 0 HG23 THR A 107 2.246 -5.371 6.469 1.00 1.94 H new ATOM 1571 N LEU A 108 2.455 -3.414 8.444 1.00 1.08 N ATOM 1572 CA LEU A 108 3.735 -2.786 8.833 1.00 1.07 C ATOM 1573 C LEU A 108 3.736 -2.307 10.295 1.00 0.96 C ATOM 1574 O LEU A 108 4.661 -2.592 11.057 1.00 1.03 O ATOM 1575 CB LEU A 108 4.029 -1.559 7.947 1.00 1.26 C ATOM 1576 CG LEU A 108 4.447 -1.800 6.487 1.00 0.66 C ATOM 1577 CD1 LEU A 108 3.384 -2.494 5.645 1.00 1.44 C ATOM 1578 CD2 LEU A 108 4.690 -0.429 5.868 1.00 0.71 C ATOM 0 H LEU A 108 2.015 -2.969 7.639 1.00 1.08 H new ATOM 0 HA LEU A 108 4.496 -3.556 8.706 1.00 1.07 H new ATOM 0 HB2 LEU A 108 3.137 -0.933 7.939 1.00 1.26 H new ATOM 0 HB3 LEU A 108 4.819 -0.982 8.428 1.00 1.26 H new ATOM 0 HG LEU A 108 5.322 -2.449 6.497 1.00 0.66 H new ATOM 0 HD11 LEU A 108 3.755 -2.628 4.629 1.00 1.44 H new ATOM 0 HD12 LEU A 108 3.155 -3.467 6.079 1.00 1.44 H new ATOM 0 HD13 LEU A 108 2.481 -1.884 5.624 1.00 1.44 H new ATOM 0 HD21 LEU A 108 4.990 -0.548 4.827 1.00 0.71 H new ATOM 0 HD22 LEU A 108 3.774 0.160 5.916 1.00 0.71 H new ATOM 0 HD23 LEU A 108 5.480 0.083 6.417 1.00 0.71 H new ATOM 1590 N SER A 109 2.681 -1.585 10.674 1.00 0.90 N ATOM 1591 CA SER A 109 2.476 -1.037 12.017 1.00 0.98 C ATOM 1592 C SER A 109 2.164 -2.126 13.044 1.00 1.04 C ATOM 1593 O SER A 109 2.516 -1.976 14.215 1.00 1.19 O ATOM 1594 CB SER A 109 1.335 -0.021 11.969 1.00 1.10 C ATOM 1595 OG SER A 109 1.739 1.081 11.181 1.00 1.90 O ATOM 0 H SER A 109 1.920 -1.358 10.034 1.00 0.90 H new ATOM 0 HA SER A 109 3.402 -0.556 12.333 1.00 0.98 H new ATOM 0 HB2 SER A 109 0.440 -0.478 11.547 1.00 1.10 H new ATOM 0 HB3 SER A 109 1.080 0.308 12.976 1.00 1.10 H new ATOM 0 HG SER A 109 0.948 1.525 10.810 1.00 1.90 H new ATOM 1601 N GLN A 110 1.565 -3.235 12.595 1.00 0.99 N ATOM 1602 CA GLN A 110 1.381 -4.447 13.415 1.00 1.03 C ATOM 1603 C GLN A 110 2.718 -5.181 13.671 1.00 1.04 C ATOM 1604 O GLN A 110 3.010 -5.546 14.809 1.00 1.12 O ATOM 1605 CB GLN A 110 0.321 -5.341 12.749 1.00 1.08 C ATOM 1606 CG GLN A 110 0.010 -6.678 13.441 1.00 1.26 C ATOM 1607 CD GLN A 110 -0.833 -6.564 14.698 1.00 1.47 C ATOM 1608 OE1 GLN A 110 -1.871 -5.768 14.668 1.00 2.07 O flip ATOM 1609 NE2 GLN A 110 -0.628 -7.251 15.691 1.00 1.38 N flip ATOM 0 H GLN A 110 1.191 -3.321 11.650 1.00 0.99 H new ATOM 0 HA GLN A 110 1.020 -4.166 14.404 1.00 1.03 H new ATOM 0 HB2 GLN A 110 -0.606 -4.772 12.676 1.00 1.08 H new ATOM 0 HB3 GLN A 110 0.646 -5.553 11.730 1.00 1.08 H new ATOM 0 HG2 GLN A 110 -0.506 -7.326 12.732 1.00 1.26 H new ATOM 0 HG3 GLN A 110 0.951 -7.167 13.694 1.00 1.26 H new ATOM 0 HE21 GLN A 110 0.179 -7.874 15.722 1.00 1.38 H new ATOM 0 HE22 GLN A 110 -1.264 -7.200 16.487 1.00 1.38 H new ATOM 1618 N ILE A 111 3.562 -5.352 12.643 1.00 0.99 N ATOM 1619 CA ILE A 111 4.850 -6.069 12.717 1.00 1.03 C ATOM 1620 C ILE A 111 5.760 -5.468 13.795 1.00 1.05 C ATOM 1621 O ILE A 111 6.254 -6.199 14.656 1.00 1.12 O ATOM 1622 CB ILE A 111 5.530 -6.092 11.322 1.00 1.05 C ATOM 1623 CG1 ILE A 111 4.798 -7.070 10.373 1.00 1.11 C ATOM 1624 CG2 ILE A 111 7.020 -6.489 11.393 1.00 1.15 C ATOM 1625 CD1 ILE A 111 4.999 -6.728 8.889 1.00 1.22 C ATOM 0 H ILE A 111 3.365 -4.987 11.711 1.00 0.99 H new ATOM 0 HA ILE A 111 4.660 -7.101 13.011 1.00 1.03 H new ATOM 0 HB ILE A 111 5.467 -5.074 10.937 1.00 1.05 H new ATOM 0 HG12 ILE A 111 5.155 -8.083 10.558 1.00 1.11 H new ATOM 0 HG13 ILE A 111 3.732 -7.060 10.601 1.00 1.11 H new ATOM 0 HG21 ILE A 111 7.445 -6.489 10.389 1.00 1.15 H new ATOM 0 HG22 ILE A 111 7.558 -5.773 12.015 1.00 1.15 H new ATOM 0 HG23 ILE A 111 7.111 -7.486 11.825 1.00 1.15 H new ATOM 0 HD11 ILE A 111 4.462 -7.449 8.273 1.00 1.22 H new ATOM 0 HD12 ILE A 111 4.617 -5.726 8.691 1.00 1.22 H new ATOM 0 HD13 ILE A 111 6.061 -6.765 8.648 1.00 1.22 H new ATOM 1637 N VAL A 112 5.956 -4.145 13.817 1.00 1.05 N ATOM 1638 CA VAL A 112 6.860 -3.513 14.801 1.00 1.13 C ATOM 1639 C VAL A 112 6.367 -3.591 16.249 1.00 1.22 C ATOM 1640 O VAL A 112 7.181 -3.471 17.163 1.00 1.33 O ATOM 1641 CB VAL A 112 7.201 -2.057 14.449 1.00 1.19 C ATOM 1642 CG1 VAL A 112 7.947 -1.976 13.117 1.00 1.18 C ATOM 1643 CG2 VAL A 112 5.962 -1.157 14.374 1.00 1.22 C ATOM 0 H VAL A 112 5.509 -3.492 13.174 1.00 1.05 H new ATOM 0 HA VAL A 112 7.768 -4.112 14.736 1.00 1.13 H new ATOM 0 HB VAL A 112 7.836 -1.697 15.258 1.00 1.19 H new ATOM 0 HG11 VAL A 112 8.176 -0.935 12.891 1.00 1.18 H new ATOM 0 HG12 VAL A 112 8.874 -2.546 13.184 1.00 1.18 H new ATOM 0 HG13 VAL A 112 7.323 -2.390 12.325 1.00 1.18 H new ATOM 0 HG21 VAL A 112 6.265 -0.141 14.122 1.00 1.22 H new ATOM 0 HG22 VAL A 112 5.284 -1.534 13.608 1.00 1.22 H new ATOM 0 HG23 VAL A 112 5.454 -1.155 15.339 1.00 1.22 H new