USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 897 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 11 GLN : amide:sc= 0.172 K(o=2.2,f=1.5) USER MOD Set 1.2: A 106 THR OG1 : rot -52:sc= 1.75 USER MOD Set 1.3: A 109 SER OG : rot 88:sc= 0.322 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -135:sc= 0.92 (180deg=0.0881) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 24 ASN :FLIP amide:sc= 0.0265 F(o=-1.2,f=0.027) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,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 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 134:sc= 1.24 USER MOD Single : A 63 MET CE :methyl -141:sc= 0 (180deg=-0.0205) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 2.47 (180deg=2.29) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -140:sc= 0.387 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -88:sc= 0.807 USER MOD Single : A 90 ASN : amide:sc= 0.585 K(o=0.58,f=-7.5!) USER MOD Single : A 91 GLN : amide:sc= 0.00528 X(o=0.0053,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.03) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= 0.93 K(o=0.93,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.640 -6.984 13.911 1.00 2.97 N ATOM 2 CA SER A 1 16.769 -5.645 14.537 1.00 2.66 C ATOM 3 C SER A 1 17.416 -4.521 13.684 1.00 2.61 C ATOM 4 O SER A 1 17.323 -3.350 14.061 1.00 2.49 O ATOM 5 CB SER A 1 17.521 -5.754 15.874 1.00 3.18 C ATOM 6 OG SER A 1 16.833 -6.561 16.820 1.00 4.02 O ATOM 0 H1 SER A 1 16.194 -7.640 14.584 1.00 2.97 H new ATOM 0 H2 SER A 1 16.052 -6.912 13.056 1.00 2.97 H new ATOM 0 H3 SER A 1 17.583 -7.339 13.654 1.00 2.97 H new ATOM 0 HA SER A 1 15.734 -5.330 14.666 1.00 2.66 H new ATOM 0 HB2 SER A 1 18.512 -6.172 15.697 1.00 3.18 H new ATOM 0 HB3 SER A 1 17.665 -4.756 16.289 1.00 3.18 H new ATOM 0 HG SER A 1 17.349 -6.602 17.652 1.00 4.02 H new ATOM 12 N GLU A 2 18.040 -4.811 12.533 1.00 2.95 N ATOM 13 CA GLU A 2 18.557 -3.796 11.587 1.00 2.98 C ATOM 14 C GLU A 2 17.580 -3.545 10.419 1.00 2.51 C ATOM 15 O GLU A 2 17.381 -2.397 10.005 1.00 2.50 O ATOM 16 CB GLU A 2 19.972 -4.203 11.137 1.00 3.56 C ATOM 17 CG GLU A 2 20.706 -3.163 10.280 1.00 3.45 C ATOM 18 CD GLU A 2 20.690 -3.520 8.793 1.00 4.36 C ATOM 19 OE1 GLU A 2 21.439 -4.441 8.385 1.00 5.56 O ATOM 20 OE2 GLU A 2 19.994 -2.842 8.003 1.00 4.60 O ATOM 0 H GLU A 2 18.205 -5.769 12.223 1.00 2.95 H new ATOM 0 HA GLU A 2 18.634 -2.832 12.089 1.00 2.98 H new ATOM 0 HB2 GLU A 2 20.573 -4.411 12.023 1.00 3.56 H new ATOM 0 HB3 GLU A 2 19.904 -5.133 10.573 1.00 3.56 H new ATOM 0 HG2 GLU A 2 20.243 -2.187 10.422 1.00 3.45 H new ATOM 0 HG3 GLU A 2 21.738 -3.079 10.620 1.00 3.45 H new ATOM 27 N ALA A 3 16.903 -4.597 9.955 1.00 2.28 N ATOM 28 CA ALA A 3 15.777 -4.495 9.021 1.00 1.91 C ATOM 29 C ALA A 3 14.576 -3.764 9.667 1.00 1.58 C ATOM 30 O ALA A 3 13.931 -2.943 9.017 1.00 1.46 O ATOM 31 CB ALA A 3 15.405 -5.895 8.527 1.00 2.02 C ATOM 0 H ALA A 3 17.123 -5.557 10.220 1.00 2.28 H new ATOM 0 HA ALA A 3 16.072 -3.894 8.161 1.00 1.91 H new ATOM 0 HB1 ALA A 3 14.568 -5.825 7.832 1.00 2.02 H new ATOM 0 HB2 ALA A 3 16.261 -6.342 8.021 1.00 2.02 H new ATOM 0 HB3 ALA A 3 15.121 -6.517 9.376 1.00 2.02 H new ATOM 37 N LEU A 4 14.336 -3.994 10.966 1.00 1.69 N ATOM 38 CA LEU A 4 13.270 -3.431 11.818 1.00 1.49 C ATOM 39 C LEU A 4 12.983 -1.925 11.631 1.00 1.42 C ATOM 40 O LEU A 4 11.843 -1.499 11.808 1.00 1.32 O ATOM 41 CB LEU A 4 13.690 -3.707 13.281 1.00 1.60 C ATOM 42 CG LEU A 4 12.662 -3.399 14.385 1.00 1.52 C ATOM 43 CD1 LEU A 4 11.557 -4.449 14.405 1.00 1.51 C ATOM 44 CD2 LEU A 4 13.343 -3.425 15.756 1.00 1.89 C ATOM 0 H LEU A 4 14.931 -4.632 11.495 1.00 1.69 H new ATOM 0 HA LEU A 4 12.335 -3.912 11.531 1.00 1.49 H new ATOM 0 HB2 LEU A 4 13.963 -4.759 13.360 1.00 1.60 H new ATOM 0 HB3 LEU A 4 14.590 -3.128 13.488 1.00 1.60 H new ATOM 0 HG LEU A 4 12.241 -2.415 14.177 1.00 1.52 H new ATOM 0 HD11 LEU A 4 10.843 -4.210 15.193 1.00 1.51 H new ATOM 0 HD12 LEU A 4 11.046 -4.458 13.442 1.00 1.51 H new ATOM 0 HD13 LEU A 4 11.991 -5.431 14.594 1.00 1.51 H new ATOM 0 HD21 LEU A 4 12.609 -3.206 16.531 1.00 1.89 H new ATOM 0 HD22 LEU A 4 13.772 -4.412 15.931 1.00 1.89 H new ATOM 0 HD23 LEU A 4 14.134 -2.676 15.784 1.00 1.89 H new ATOM 56 N ALA A 5 13.985 -1.112 11.275 1.00 1.60 N ATOM 57 CA ALA A 5 13.820 0.324 11.019 1.00 1.59 C ATOM 58 C ALA A 5 13.095 0.652 9.693 1.00 1.20 C ATOM 59 O ALA A 5 12.381 1.654 9.602 1.00 1.17 O ATOM 60 CB ALA A 5 15.214 0.962 11.062 1.00 2.05 C ATOM 0 H ALA A 5 14.944 -1.437 11.155 1.00 1.60 H new ATOM 0 HA ALA A 5 13.169 0.736 11.790 1.00 1.59 H new ATOM 0 HB1 ALA A 5 15.130 2.033 10.875 1.00 2.05 H new ATOM 0 HB2 ALA A 5 15.659 0.799 12.044 1.00 2.05 H new ATOM 0 HB3 ALA A 5 15.845 0.509 10.298 1.00 2.05 H new ATOM 66 N LYS A 6 13.281 -0.185 8.660 1.00 1.10 N ATOM 67 CA LYS A 6 12.843 0.076 7.273 1.00 0.93 C ATOM 68 C LYS A 6 11.316 0.051 7.125 1.00 0.72 C ATOM 69 O LYS A 6 10.774 0.807 6.322 1.00 0.72 O ATOM 70 CB LYS A 6 13.513 -0.914 6.293 1.00 1.17 C ATOM 71 CG LYS A 6 14.971 -0.594 5.911 1.00 1.61 C ATOM 72 CD LYS A 6 15.985 -0.749 7.052 1.00 2.76 C ATOM 73 CE LYS A 6 17.414 -0.572 6.524 1.00 4.19 C ATOM 74 NZ LYS A 6 18.392 -0.442 7.629 1.00 5.65 N ATOM 0 H LYS A 6 13.751 -1.084 8.765 1.00 1.10 H new ATOM 0 HA LYS A 6 13.165 1.086 7.021 1.00 0.93 H new ATOM 0 HB2 LYS A 6 13.483 -1.910 6.735 1.00 1.17 H new ATOM 0 HB3 LYS A 6 12.918 -0.952 5.381 1.00 1.17 H new ATOM 0 HG2 LYS A 6 15.268 -1.246 5.089 1.00 1.61 H new ATOM 0 HG3 LYS A 6 15.018 0.429 5.539 1.00 1.61 H new ATOM 0 HD2 LYS A 6 15.783 -0.012 7.829 1.00 2.76 H new ATOM 0 HD3 LYS A 6 15.879 -1.732 7.510 1.00 2.76 H new ATOM 0 HE2 LYS A 6 17.680 -1.425 5.900 1.00 4.19 H new ATOM 0 HE3 LYS A 6 17.461 0.313 5.890 1.00 4.19 H new ATOM 0 HZ1 LYS A 6 19.048 0.338 7.422 1.00 5.65 H new ATOM 0 HZ2 LYS A 6 17.888 -0.245 8.517 1.00 5.65 H new ATOM 0 HZ3 LYS A 6 18.928 -1.328 7.725 1.00 5.65 H new ATOM 88 N LEU A 7 10.620 -0.749 7.940 1.00 0.67 N ATOM 89 CA LEU A 7 9.154 -0.903 7.952 1.00 0.71 C ATOM 90 C LEU A 7 8.419 0.448 8.080 1.00 0.80 C ATOM 91 O LEU A 7 7.363 0.659 7.481 1.00 0.96 O ATOM 92 CB LEU A 7 8.766 -1.805 9.150 1.00 0.71 C ATOM 93 CG LEU A 7 9.009 -3.326 9.040 1.00 0.78 C ATOM 94 CD1 LEU A 7 8.083 -3.975 8.014 1.00 0.97 C ATOM 95 CD2 LEU A 7 10.448 -3.703 8.691 1.00 0.78 C ATOM 0 H LEU A 7 11.078 -1.333 8.640 1.00 0.67 H new ATOM 0 HA LEU A 7 8.854 -1.348 7.003 1.00 0.71 H new ATOM 0 HB2 LEU A 7 9.309 -1.446 10.024 1.00 0.71 H new ATOM 0 HB3 LEU A 7 7.705 -1.653 9.349 1.00 0.71 H new ATOM 0 HG LEU A 7 8.794 -3.704 10.040 1.00 0.78 H new ATOM 0 HD11 LEU A 7 8.286 -5.045 7.967 1.00 0.97 H new ATOM 0 HD12 LEU A 7 7.046 -3.815 8.307 1.00 0.97 H new ATOM 0 HD13 LEU A 7 8.256 -3.529 7.034 1.00 0.97 H new ATOM 0 HD21 LEU A 7 10.536 -4.788 8.632 1.00 0.78 H new ATOM 0 HD22 LEU A 7 10.716 -3.265 7.730 1.00 0.78 H new ATOM 0 HD23 LEU A 7 11.120 -3.326 9.462 1.00 0.78 H new ATOM 107 N ILE A 8 8.979 1.365 8.874 1.00 0.85 N ATOM 108 CA ILE A 8 8.489 2.737 9.050 1.00 1.01 C ATOM 109 C ILE A 8 8.826 3.650 7.855 1.00 0.92 C ATOM 110 O ILE A 8 8.007 4.485 7.467 1.00 0.94 O ATOM 111 CB ILE A 8 8.972 3.265 10.419 1.00 1.24 C ATOM 112 CG1 ILE A 8 8.402 2.400 11.572 1.00 1.38 C ATOM 113 CG2 ILE A 8 8.628 4.742 10.659 1.00 1.45 C ATOM 114 CD1 ILE A 8 6.872 2.231 11.604 1.00 1.52 C ATOM 0 H ILE A 8 9.811 1.168 9.430 1.00 0.85 H new ATOM 0 HA ILE A 8 7.399 2.738 9.061 1.00 1.01 H new ATOM 0 HB ILE A 8 10.059 3.190 10.402 1.00 1.24 H new ATOM 0 HG12 ILE A 8 8.855 1.410 11.513 1.00 1.38 H new ATOM 0 HG13 ILE A 8 8.718 2.839 12.518 1.00 1.38 H new ATOM 0 HG21 ILE A 8 8.996 5.047 11.639 1.00 1.45 H new ATOM 0 HG22 ILE A 8 9.096 5.355 9.889 1.00 1.45 H new ATOM 0 HG23 ILE A 8 7.547 4.875 10.620 1.00 1.45 H new ATOM 0 HD11 ILE A 8 6.593 1.607 12.453 1.00 1.52 H new ATOM 0 HD12 ILE A 8 6.400 3.209 11.701 1.00 1.52 H new ATOM 0 HD13 ILE A 8 6.539 1.757 10.681 1.00 1.52 H new ATOM 126 N SER A 9 9.993 3.477 7.224 1.00 0.89 N ATOM 127 CA SER A 9 10.472 4.342 6.136 1.00 0.90 C ATOM 128 C SER A 9 9.731 4.145 4.810 1.00 0.85 C ATOM 129 O SER A 9 9.448 5.129 4.125 1.00 0.87 O ATOM 130 CB SER A 9 11.965 4.113 5.880 1.00 1.06 C ATOM 131 OG SER A 9 12.747 4.484 6.997 1.00 1.29 O ATOM 0 H SER A 9 10.640 2.724 7.456 1.00 0.89 H new ATOM 0 HA SER A 9 10.279 5.358 6.479 1.00 0.90 H new ATOM 0 HB2 SER A 9 12.138 3.062 5.647 1.00 1.06 H new ATOM 0 HB3 SER A 9 12.278 4.688 5.009 1.00 1.06 H new ATOM 0 HG SER A 9 13.694 4.324 6.801 1.00 1.29 H new ATOM 137 N LEU A 10 9.397 2.901 4.432 1.00 0.97 N ATOM 138 CA LEU A 10 8.816 2.569 3.114 1.00 1.18 C ATOM 139 C LEU A 10 7.394 3.126 2.888 1.00 1.25 C ATOM 140 O LEU A 10 6.923 3.194 1.754 1.00 1.38 O ATOM 141 CB LEU A 10 8.805 1.036 2.924 1.00 1.39 C ATOM 142 CG LEU A 10 10.061 0.453 2.249 1.00 1.54 C ATOM 143 CD1 LEU A 10 11.253 0.374 3.200 1.00 2.19 C ATOM 144 CD2 LEU A 10 9.778 -0.971 1.773 1.00 1.32 C ATOM 0 H LEU A 10 9.522 2.088 5.035 1.00 0.97 H new ATOM 0 HA LEU A 10 9.453 3.053 2.374 1.00 1.18 H new ATOM 0 HB2 LEU A 10 8.684 0.565 3.900 1.00 1.39 H new ATOM 0 HB3 LEU A 10 7.933 0.765 2.329 1.00 1.39 H new ATOM 0 HG LEU A 10 10.304 1.121 1.422 1.00 1.54 H new ATOM 0 HD11 LEU A 10 12.111 -0.044 2.674 1.00 2.19 H new ATOM 0 HD12 LEU A 10 11.499 1.373 3.559 1.00 2.19 H new ATOM 0 HD13 LEU A 10 11.001 -0.264 4.047 1.00 2.19 H new ATOM 0 HD21 LEU A 10 10.669 -1.379 1.296 1.00 1.32 H new ATOM 0 HD22 LEU A 10 9.506 -1.592 2.626 1.00 1.32 H new ATOM 0 HD23 LEU A 10 8.957 -0.959 1.057 1.00 1.32 H new ATOM 156 N GLN A 11 6.693 3.505 3.956 1.00 1.21 N ATOM 157 CA GLN A 11 5.287 3.909 3.918 1.00 1.28 C ATOM 158 C GLN A 11 5.073 5.267 3.217 1.00 1.29 C ATOM 159 O GLN A 11 5.878 6.193 3.364 1.00 1.34 O ATOM 160 CB GLN A 11 4.737 3.863 5.342 1.00 1.33 C ATOM 161 CG GLN A 11 4.581 2.399 5.759 1.00 1.41 C ATOM 162 CD GLN A 11 3.962 2.340 7.131 1.00 1.55 C ATOM 163 OE1 GLN A 11 2.846 2.785 7.367 1.00 1.95 O ATOM 164 NE2 GLN A 11 4.673 1.841 8.100 1.00 2.28 N ATOM 0 H GLN A 11 7.095 3.541 4.893 1.00 1.21 H new ATOM 0 HA GLN A 11 4.723 3.208 3.302 1.00 1.28 H new ATOM 0 HB2 GLN A 11 5.411 4.381 6.025 1.00 1.33 H new ATOM 0 HB3 GLN A 11 3.776 4.375 5.393 1.00 1.33 H new ATOM 0 HG2 GLN A 11 3.955 1.868 5.041 1.00 1.41 H new ATOM 0 HG3 GLN A 11 5.552 1.904 5.763 1.00 1.41 H new ATOM 0 HE21 GLN A 11 5.603 1.469 7.910 1.00 2.28 H new ATOM 0 HE22 GLN A 11 4.300 1.822 9.049 1.00 2.28 H new ATOM 173 N ALA A 12 3.993 5.397 2.438 1.00 1.34 N ATOM 174 CA ALA A 12 3.715 6.602 1.648 1.00 1.33 C ATOM 175 C ALA A 12 2.901 7.664 2.410 1.00 1.43 C ATOM 176 O ALA A 12 1.959 7.339 3.137 1.00 2.23 O ATOM 177 CB ALA A 12 3.069 6.208 0.321 1.00 1.48 C ATOM 0 H ALA A 12 3.286 4.669 2.337 1.00 1.34 H new ATOM 0 HA ALA A 12 4.668 7.089 1.442 1.00 1.33 H new ATOM 0 HB1 ALA A 12 2.863 7.104 -0.264 1.00 1.48 H new ATOM 0 HB2 ALA A 12 3.746 5.559 -0.235 1.00 1.48 H new ATOM 0 HB3 ALA A 12 2.136 5.679 0.514 1.00 1.48 H new ATOM 183 N THR A 13 3.268 8.935 2.241 1.00 1.30 N ATOM 184 CA THR A 13 2.750 10.088 3.006 1.00 1.27 C ATOM 185 C THR A 13 1.517 10.754 2.370 1.00 1.15 C ATOM 186 O THR A 13 0.894 11.634 2.968 1.00 1.21 O ATOM 187 CB THR A 13 3.861 11.138 3.197 1.00 1.37 C ATOM 188 OG1 THR A 13 5.137 10.546 3.356 1.00 1.78 O ATOM 189 CG2 THR A 13 3.648 12.017 4.423 1.00 1.77 C ATOM 0 H THR A 13 3.960 9.208 1.543 1.00 1.30 H new ATOM 0 HA THR A 13 2.427 9.690 3.968 1.00 1.27 H new ATOM 0 HB THR A 13 3.815 11.737 2.288 1.00 1.37 H new ATOM 0 HG1 THR A 13 5.811 11.248 3.472 1.00 1.78 H new ATOM 0 HG21 THR A 13 4.464 12.735 4.502 1.00 1.77 H new ATOM 0 HG22 THR A 13 2.702 12.551 4.328 1.00 1.77 H new ATOM 0 HG23 THR A 13 3.625 11.395 5.317 1.00 1.77 H new ATOM 197 N GLU A 14 1.145 10.361 1.154 1.00 1.08 N ATOM 198 CA GLU A 14 0.005 10.904 0.401 1.00 1.03 C ATOM 199 C GLU A 14 -0.800 9.838 -0.368 1.00 0.96 C ATOM 200 O GLU A 14 -0.320 8.729 -0.636 1.00 1.01 O ATOM 201 CB GLU A 14 0.473 12.032 -0.539 1.00 1.21 C ATOM 202 CG GLU A 14 1.382 11.602 -1.696 1.00 1.39 C ATOM 203 CD GLU A 14 2.805 11.299 -1.224 1.00 2.08 C ATOM 204 OE1 GLU A 14 3.613 12.251 -1.084 1.00 2.35 O ATOM 205 OE2 GLU A 14 3.125 10.106 -1.002 1.00 3.66 O ATOM 0 H GLU A 14 1.643 9.631 0.644 1.00 1.08 H new ATOM 0 HA GLU A 14 -0.685 11.312 1.140 1.00 1.03 H new ATOM 0 HB2 GLU A 14 -0.408 12.521 -0.956 1.00 1.21 H new ATOM 0 HB3 GLU A 14 1.001 12.779 0.055 1.00 1.21 H new ATOM 0 HG2 GLU A 14 0.963 10.718 -2.177 1.00 1.39 H new ATOM 0 HG3 GLU A 14 1.410 12.391 -2.448 1.00 1.39 H new ATOM 212 N ALA A 15 -2.036 10.200 -0.725 1.00 0.90 N ATOM 213 CA ALA A 15 -2.964 9.402 -1.529 1.00 0.89 C ATOM 214 C ALA A 15 -3.783 10.276 -2.506 1.00 0.85 C ATOM 215 O ALA A 15 -3.836 11.502 -2.359 1.00 0.94 O ATOM 216 CB ALA A 15 -3.881 8.633 -0.565 1.00 0.92 C ATOM 0 H ALA A 15 -2.434 11.098 -0.449 1.00 0.90 H new ATOM 0 HA ALA A 15 -2.401 8.705 -2.150 1.00 0.89 H new ATOM 0 HB1 ALA A 15 -4.585 8.028 -1.137 1.00 0.92 H new ATOM 0 HB2 ALA A 15 -3.278 7.984 0.071 1.00 0.92 H new ATOM 0 HB3 ALA A 15 -4.431 9.340 0.056 1.00 0.92 H new ATOM 222 N THR A 16 -4.447 9.639 -3.472 1.00 0.83 N ATOM 223 CA THR A 16 -5.444 10.270 -4.363 1.00 0.80 C ATOM 224 C THR A 16 -6.832 9.638 -4.184 1.00 0.73 C ATOM 225 O THR A 16 -7.079 8.529 -4.663 1.00 0.84 O ATOM 226 CB THR A 16 -4.997 10.250 -5.835 1.00 0.98 C ATOM 227 OG1 THR A 16 -3.739 10.879 -5.971 1.00 1.12 O ATOM 228 CG2 THR A 16 -5.961 11.033 -6.726 1.00 1.01 C ATOM 0 H THR A 16 -4.309 8.647 -3.668 1.00 0.83 H new ATOM 0 HA THR A 16 -5.519 11.317 -4.071 1.00 0.80 H new ATOM 0 HB THR A 16 -4.964 9.203 -6.135 1.00 0.98 H new ATOM 0 HG1 THR A 16 -3.463 10.859 -6.911 1.00 1.12 H new ATOM 0 HG21 THR A 16 -5.613 10.997 -7.758 1.00 1.01 H new ATOM 0 HG22 THR A 16 -6.955 10.591 -6.663 1.00 1.01 H new ATOM 0 HG23 THR A 16 -6.003 12.070 -6.393 1.00 1.01 H new ATOM 236 N ILE A 17 -7.753 10.345 -3.514 1.00 0.61 N ATOM 237 CA ILE A 17 -9.150 9.914 -3.307 1.00 0.65 C ATOM 238 C ILE A 17 -9.971 10.275 -4.550 1.00 0.72 C ATOM 239 O ILE A 17 -9.936 11.421 -4.997 1.00 0.79 O ATOM 240 CB ILE A 17 -9.781 10.545 -2.033 1.00 0.64 C ATOM 241 CG1 ILE A 17 -8.940 10.269 -0.764 1.00 0.59 C ATOM 242 CG2 ILE A 17 -11.222 10.023 -1.843 1.00 0.81 C ATOM 243 CD1 ILE A 17 -9.482 10.898 0.528 1.00 0.63 C ATOM 0 H ILE A 17 -7.548 11.250 -3.091 1.00 0.61 H new ATOM 0 HA ILE A 17 -9.156 8.835 -3.154 1.00 0.65 H new ATOM 0 HB ILE A 17 -9.800 11.625 -2.178 1.00 0.64 H new ATOM 0 HG12 ILE A 17 -8.868 9.191 -0.622 1.00 0.59 H new ATOM 0 HG13 ILE A 17 -7.928 10.636 -0.931 1.00 0.59 H new ATOM 0 HG21 ILE A 17 -11.656 10.470 -0.949 1.00 0.81 H new ATOM 0 HG22 ILE A 17 -11.824 10.291 -2.711 1.00 0.81 H new ATOM 0 HG23 ILE A 17 -11.205 8.939 -1.735 1.00 0.81 H new ATOM 0 HD11 ILE A 17 -8.823 10.647 1.359 1.00 0.63 H new ATOM 0 HD12 ILE A 17 -9.526 11.981 0.415 1.00 0.63 H new ATOM 0 HD13 ILE A 17 -10.482 10.513 0.729 1.00 0.63 H new ATOM 255 N VAL A 18 -10.743 9.333 -5.102 1.00 0.73 N ATOM 256 CA VAL A 18 -11.506 9.564 -6.344 1.00 0.75 C ATOM 257 C VAL A 18 -12.993 9.234 -6.178 1.00 0.89 C ATOM 258 O VAL A 18 -13.342 8.130 -5.760 1.00 1.06 O ATOM 259 CB VAL A 18 -10.887 8.803 -7.535 1.00 0.85 C ATOM 260 CG1 VAL A 18 -11.518 9.274 -8.850 1.00 1.75 C ATOM 261 CG2 VAL A 18 -9.366 8.990 -7.627 1.00 1.86 C ATOM 0 H VAL A 18 -10.859 8.398 -4.710 1.00 0.73 H new ATOM 0 HA VAL A 18 -11.442 10.630 -6.563 1.00 0.75 H new ATOM 0 HB VAL A 18 -11.091 7.745 -7.368 1.00 0.85 H new ATOM 0 HG11 VAL A 18 -11.073 8.730 -9.683 1.00 1.75 H new ATOM 0 HG12 VAL A 18 -12.591 9.086 -8.826 1.00 1.75 H new ATOM 0 HG13 VAL A 18 -11.339 10.342 -8.978 1.00 1.75 H new ATOM 0 HG21 VAL A 18 -8.982 8.434 -8.482 1.00 1.86 H new ATOM 0 HG22 VAL A 18 -9.136 10.048 -7.750 1.00 1.86 H new ATOM 0 HG23 VAL A 18 -8.898 8.621 -6.714 1.00 1.86 H new ATOM 271 N THR A 19 -13.864 10.177 -6.547 1.00 1.02 N ATOM 272 CA THR A 19 -15.319 9.975 -6.669 1.00 1.48 C ATOM 273 C THR A 19 -15.659 9.549 -8.099 1.00 1.82 C ATOM 274 O THR A 19 -15.212 10.171 -9.067 1.00 1.86 O ATOM 275 CB THR A 19 -16.103 11.226 -6.244 1.00 2.16 C ATOM 276 OG1 THR A 19 -15.929 11.441 -4.860 1.00 2.47 O ATOM 277 CG2 THR A 19 -17.610 11.074 -6.454 1.00 2.98 C ATOM 0 H THR A 19 -13.574 11.128 -6.776 1.00 1.02 H new ATOM 0 HA THR A 19 -15.620 9.179 -5.989 1.00 1.48 H new ATOM 0 HB THR A 19 -15.724 12.046 -6.854 1.00 2.16 H new ATOM 0 HG1 THR A 19 -16.427 12.240 -4.588 1.00 2.47 H new ATOM 0 HG21 THR A 19 -18.115 11.986 -6.137 1.00 2.98 H new ATOM 0 HG22 THR A 19 -17.814 10.894 -7.509 1.00 2.98 H new ATOM 0 HG23 THR A 19 -17.976 10.233 -5.865 1.00 2.98 H new ATOM 285 N LEU A 20 -16.443 8.473 -8.230 1.00 2.36 N ATOM 286 CA LEU A 20 -16.705 7.771 -9.496 1.00 3.35 C ATOM 287 C LEU A 20 -18.202 7.628 -9.853 1.00 4.54 C ATOM 288 O LEU A 20 -18.514 7.014 -10.877 1.00 6.06 O ATOM 289 CB LEU A 20 -15.992 6.406 -9.441 1.00 4.03 C ATOM 290 CG LEU A 20 -14.461 6.478 -9.273 1.00 3.81 C ATOM 291 CD1 LEU A 20 -13.854 5.083 -9.166 1.00 5.06 C ATOM 292 CD2 LEU A 20 -13.810 7.189 -10.458 1.00 3.68 C ATOM 0 H LEU A 20 -16.928 8.053 -7.437 1.00 2.36 H new ATOM 0 HA LEU A 20 -16.306 8.381 -10.306 1.00 3.35 H new ATOM 0 HB2 LEU A 20 -16.407 5.829 -8.614 1.00 4.03 H new ATOM 0 HB3 LEU A 20 -16.217 5.858 -10.356 1.00 4.03 H new ATOM 0 HG LEU A 20 -14.271 7.036 -8.356 1.00 3.81 H new ATOM 0 HD11 LEU A 20 -12.773 5.164 -9.048 1.00 5.06 H new ATOM 0 HD12 LEU A 20 -14.275 4.568 -8.303 1.00 5.06 H new ATOM 0 HD13 LEU A 20 -14.079 4.518 -10.071 1.00 5.06 H new ATOM 0 HD21 LEU A 20 -12.730 7.225 -10.312 1.00 3.68 H new ATOM 0 HD22 LEU A 20 -14.034 6.646 -11.376 1.00 3.68 H new ATOM 0 HD23 LEU A 20 -14.200 8.204 -10.532 1.00 3.68 H new ATOM 304 N ASP A 21 -19.077 8.205 -9.016 1.00 4.51 N ATOM 305 CA ASP A 21 -20.556 8.218 -9.027 1.00 5.72 C ATOM 306 C ASP A 21 -21.190 7.081 -9.838 1.00 6.91 C ATOM 307 O ASP A 21 -21.367 5.988 -9.290 1.00 8.72 O ATOM 308 CB ASP A 21 -21.114 9.608 -9.384 1.00 6.04 C ATOM 309 CG ASP A 21 -22.524 9.843 -8.830 1.00 7.24 C ATOM 310 OD1 ASP A 21 -23.476 9.117 -9.196 1.00 8.72 O ATOM 311 OD2 ASP A 21 -22.699 10.781 -8.016 1.00 7.03 O ATOM 0 H ASP A 21 -18.728 8.738 -8.219 1.00 4.51 H new ATOM 0 HA ASP A 21 -20.861 8.010 -8.001 1.00 5.72 H new ATOM 0 HB2 ASP A 21 -20.444 10.374 -8.995 1.00 6.04 H new ATOM 0 HB3 ASP A 21 -21.131 9.720 -10.468 1.00 6.04 H new ATOM 316 N SER A 22 -21.484 7.321 -11.125 1.00 6.09 N ATOM 317 CA SER A 22 -22.058 6.405 -12.109 1.00 6.94 C ATOM 318 C SER A 22 -21.731 4.921 -11.911 1.00 7.09 C ATOM 319 O SER A 22 -22.649 4.104 -11.841 1.00 7.71 O ATOM 320 CB SER A 22 -21.612 6.841 -13.517 1.00 7.35 C ATOM 321 OG SER A 22 -21.865 8.222 -13.747 1.00 7.39 O ATOM 0 H SER A 22 -21.310 8.239 -11.533 1.00 6.09 H new ATOM 0 HA SER A 22 -23.137 6.476 -11.974 1.00 6.94 H new ATOM 0 HB2 SER A 22 -20.547 6.641 -13.639 1.00 7.35 H new ATOM 0 HB3 SER A 22 -22.136 6.246 -14.265 1.00 7.35 H new ATOM 0 HG SER A 22 -21.568 8.463 -14.649 1.00 7.39 H new ATOM 327 N ASP A 23 -20.451 4.562 -11.784 1.00 7.10 N ATOM 328 CA ASP A 23 -19.977 3.198 -11.509 1.00 7.52 C ATOM 329 C ASP A 23 -18.504 3.290 -11.068 1.00 7.13 C ATOM 330 O ASP A 23 -18.216 3.417 -9.875 1.00 7.85 O ATOM 331 CB ASP A 23 -20.183 2.299 -12.749 1.00 8.84 C ATOM 332 CG ASP A 23 -19.566 0.906 -12.599 1.00 9.92 C ATOM 333 OD1 ASP A 23 -20.128 0.061 -11.854 1.00 9.98 O ATOM 334 OD2 ASP A 23 -18.513 0.681 -13.235 1.00 11.02 O ATOM 0 H ASP A 23 -19.688 5.234 -11.872 1.00 7.10 H new ATOM 0 HA ASP A 23 -20.549 2.734 -10.705 1.00 7.52 H new ATOM 0 HB2 ASP A 23 -21.251 2.196 -12.941 1.00 8.84 H new ATOM 0 HB3 ASP A 23 -19.748 2.789 -13.620 1.00 8.84 H new ATOM 339 N ASN A 24 -17.582 3.307 -12.036 1.00 6.64 N ATOM 340 CA ASN A 24 -16.137 3.476 -11.850 1.00 6.30 C ATOM 341 C ASN A 24 -15.550 4.553 -12.797 1.00 6.12 C ATOM 342 O ASN A 24 -14.332 4.694 -12.911 1.00 6.11 O ATOM 343 CB ASN A 24 -15.523 2.082 -12.100 1.00 6.94 C ATOM 344 CG ASN A 24 -14.134 1.865 -11.565 1.00 7.60 C ATOM 345 OD1 ASN A 24 -14.018 1.171 -10.469 1.00 7.98 O flip ATOM 346 ND2 ASN A 24 -13.126 2.237 -12.144 1.00 8.31 N flip ATOM 0 H ASN A 24 -17.835 3.198 -13.018 1.00 6.64 H new ATOM 0 HA ASN A 24 -15.905 3.836 -10.848 1.00 6.30 H new ATOM 0 HB2 ASN A 24 -16.181 1.333 -11.659 1.00 6.94 H new ATOM 0 HB3 ASN A 24 -15.509 1.901 -13.175 1.00 6.94 H new ATOM 0 HD21 ASN A 24 -13.203 2.781 -13.003 1.00 8.31 H new ATOM 0 HD22 ASN A 24 -12.207 2.004 -11.769 1.00 8.31 H new ATOM 353 N ILE A 25 -16.401 5.326 -13.486 1.00 6.09 N ATOM 354 CA ILE A 25 -16.021 6.151 -14.651 1.00 6.16 C ATOM 355 C ILE A 25 -16.054 7.676 -14.493 1.00 5.21 C ATOM 356 O ILE A 25 -15.558 8.368 -15.381 1.00 5.10 O ATOM 357 CB ILE A 25 -16.896 5.733 -15.856 1.00 7.10 C ATOM 358 CG1 ILE A 25 -18.404 5.967 -15.591 1.00 7.11 C ATOM 359 CG2 ILE A 25 -16.614 4.260 -16.187 1.00 8.09 C ATOM 360 CD1 ILE A 25 -19.290 5.723 -16.817 1.00 8.13 C ATOM 0 H ILE A 25 -17.390 5.400 -13.249 1.00 6.09 H new ATOM 0 HA ILE A 25 -14.960 5.943 -14.792 1.00 6.16 H new ATOM 0 HB ILE A 25 -16.635 6.358 -16.710 1.00 7.10 H new ATOM 0 HG12 ILE A 25 -18.728 5.311 -14.783 1.00 7.11 H new ATOM 0 HG13 ILE A 25 -18.549 6.991 -15.247 1.00 7.11 H new ATOM 0 HG21 ILE A 25 -17.226 3.954 -17.036 1.00 8.09 H new ATOM 0 HG22 ILE A 25 -15.560 4.139 -16.437 1.00 8.09 H new ATOM 0 HG23 ILE A 25 -16.856 3.640 -15.323 1.00 8.09 H new ATOM 0 HD11 ILE A 25 -20.332 5.906 -16.555 1.00 8.13 H new ATOM 0 HD12 ILE A 25 -18.994 6.398 -17.620 1.00 8.13 H new ATOM 0 HD13 ILE A 25 -19.176 4.691 -17.149 1.00 8.13 H new ATOM 372 N LEU A 26 -16.628 8.229 -13.416 1.00 4.57 N ATOM 373 CA LEU A 26 -16.811 9.692 -13.352 1.00 3.75 C ATOM 374 C LEU A 26 -15.494 10.486 -13.208 1.00 2.94 C ATOM 375 O LEU A 26 -15.397 11.584 -13.753 1.00 3.57 O ATOM 376 CB LEU A 26 -17.843 10.069 -12.276 1.00 4.24 C ATOM 377 CG LEU A 26 -18.282 11.546 -12.329 1.00 3.89 C ATOM 378 CD1 LEU A 26 -19.018 11.900 -13.621 1.00 4.81 C ATOM 379 CD2 LEU A 26 -19.249 11.833 -11.189 1.00 4.34 C ATOM 0 H LEU A 26 -16.964 7.712 -12.603 1.00 4.57 H new ATOM 0 HA LEU A 26 -17.207 9.992 -14.322 1.00 3.75 H new ATOM 0 HB2 LEU A 26 -18.721 9.434 -12.389 1.00 4.24 H new ATOM 0 HB3 LEU A 26 -17.423 9.859 -11.292 1.00 4.24 H new ATOM 0 HG LEU A 26 -17.368 12.137 -12.261 1.00 3.89 H new ATOM 0 HD11 LEU A 26 -19.302 12.952 -13.601 1.00 4.81 H new ATOM 0 HD12 LEU A 26 -18.365 11.717 -14.474 1.00 4.81 H new ATOM 0 HD13 LEU A 26 -19.913 11.284 -13.711 1.00 4.81 H new ATOM 0 HD21 LEU A 26 -19.558 12.878 -11.228 1.00 4.34 H new ATOM 0 HD22 LEU A 26 -20.125 11.192 -11.285 1.00 4.34 H new ATOM 0 HD23 LEU A 26 -18.757 11.636 -10.236 1.00 4.34 H new ATOM 391 N LEU A 27 -14.466 9.952 -12.535 1.00 2.82 N ATOM 392 CA LEU A 27 -13.118 10.535 -12.420 1.00 2.36 C ATOM 393 C LEU A 27 -13.069 11.996 -11.911 1.00 1.76 C ATOM 394 O LEU A 27 -12.653 12.912 -12.627 1.00 1.87 O ATOM 395 CB LEU A 27 -12.287 10.270 -13.701 1.00 2.48 C ATOM 396 CG LEU A 27 -11.646 8.866 -13.795 1.00 3.23 C ATOM 397 CD1 LEU A 27 -12.627 7.737 -14.114 1.00 3.41 C ATOM 398 CD2 LEU A 27 -10.593 8.863 -14.904 1.00 3.87 C ATOM 0 H LEU A 27 -14.552 9.067 -12.035 1.00 2.82 H new ATOM 0 HA LEU A 27 -12.627 10.002 -11.606 1.00 2.36 H new ATOM 0 HB2 LEU A 27 -12.931 10.416 -14.568 1.00 2.48 H new ATOM 0 HB3 LEU A 27 -11.496 11.017 -13.762 1.00 2.48 H new ATOM 0 HG LEU A 27 -11.230 8.676 -12.806 1.00 3.23 H new ATOM 0 HD11 LEU A 27 -12.089 6.790 -14.160 1.00 3.41 H new ATOM 0 HD12 LEU A 27 -13.387 7.685 -13.335 1.00 3.41 H new ATOM 0 HD13 LEU A 27 -13.104 7.930 -15.075 1.00 3.41 H new ATOM 0 HD21 LEU A 27 -10.139 7.874 -14.972 1.00 3.87 H new ATOM 0 HD22 LEU A 27 -11.065 9.112 -15.854 1.00 3.87 H new ATOM 0 HD23 LEU A 27 -9.823 9.600 -14.677 1.00 3.87 H new ATOM 410 N SER A 28 -13.463 12.210 -10.649 1.00 1.42 N ATOM 411 CA SER A 28 -13.232 13.464 -9.905 1.00 1.30 C ATOM 412 C SER A 28 -12.245 13.178 -8.770 1.00 1.04 C ATOM 413 O SER A 28 -12.576 12.444 -7.834 1.00 1.05 O ATOM 414 CB SER A 28 -14.548 14.047 -9.378 1.00 1.70 C ATOM 415 OG SER A 28 -14.272 15.189 -8.586 1.00 1.69 O ATOM 0 H SER A 28 -13.960 11.507 -10.103 1.00 1.42 H new ATOM 0 HA SER A 28 -12.808 14.215 -10.571 1.00 1.30 H new ATOM 0 HB2 SER A 28 -15.198 14.316 -10.210 1.00 1.70 H new ATOM 0 HB3 SER A 28 -15.079 13.300 -8.787 1.00 1.70 H new ATOM 0 HG SER A 28 -15.112 15.564 -8.249 1.00 1.69 H new ATOM 421 N GLU A 29 -11.013 13.689 -8.867 1.00 1.03 N ATOM 422 CA GLU A 29 -9.894 13.313 -7.988 1.00 0.90 C ATOM 423 C GLU A 29 -9.505 14.411 -6.980 1.00 0.95 C ATOM 424 O GLU A 29 -9.512 15.603 -7.300 1.00 1.09 O ATOM 425 CB GLU A 29 -8.652 12.928 -8.819 1.00 0.94 C ATOM 426 CG GLU A 29 -8.919 11.951 -9.970 1.00 1.00 C ATOM 427 CD GLU A 29 -7.629 11.546 -10.692 1.00 1.55 C ATOM 428 OE1 GLU A 29 -7.058 12.370 -11.449 1.00 2.29 O ATOM 429 OE2 GLU A 29 -7.203 10.376 -10.571 1.00 2.76 O ATOM 0 H GLU A 29 -10.759 14.386 -9.567 1.00 1.03 H new ATOM 0 HA GLU A 29 -10.248 12.456 -7.414 1.00 0.90 H new ATOM 0 HB2 GLU A 29 -8.212 13.837 -9.229 1.00 0.94 H new ATOM 0 HB3 GLU A 29 -7.910 12.487 -8.153 1.00 0.94 H new ATOM 0 HG2 GLU A 29 -9.412 11.060 -9.582 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -9.604 12.409 -10.683 1.00 1.00 H new ATOM 436 N GLU A 30 -9.095 13.995 -5.782 1.00 0.89 N ATOM 437 CA GLU A 30 -8.551 14.832 -4.706 1.00 0.91 C ATOM 438 C GLU A 30 -7.159 14.314 -4.288 1.00 0.90 C ATOM 439 O GLU A 30 -7.018 13.132 -3.972 1.00 0.80 O ATOM 440 CB GLU A 30 -9.496 14.812 -3.486 1.00 0.93 C ATOM 441 CG GLU A 30 -10.982 15.129 -3.749 1.00 1.07 C ATOM 442 CD GLU A 30 -11.269 16.586 -4.131 1.00 2.05 C ATOM 443 OE1 GLU A 30 -10.691 17.508 -3.505 1.00 2.77 O ATOM 444 OE2 GLU A 30 -12.137 16.824 -5.012 1.00 3.17 O ATOM 0 H GLU A 30 -9.135 13.010 -5.519 1.00 0.89 H new ATOM 0 HA GLU A 30 -8.461 15.855 -5.071 1.00 0.91 H new ATOM 0 HB2 GLU A 30 -9.436 13.825 -3.027 1.00 0.93 H new ATOM 0 HB3 GLU A 30 -9.121 15.528 -2.755 1.00 0.93 H new ATOM 0 HG2 GLU A 30 -11.342 14.481 -4.548 1.00 1.07 H new ATOM 0 HG3 GLU A 30 -11.556 14.882 -2.856 1.00 1.07 H new ATOM 451 N GLN A 31 -6.133 15.173 -4.237 1.00 1.09 N ATOM 452 CA GLN A 31 -4.795 14.825 -3.723 1.00 1.16 C ATOM 453 C GLN A 31 -4.727 15.156 -2.221 1.00 1.13 C ATOM 454 O GLN A 31 -4.983 16.306 -1.855 1.00 1.18 O ATOM 455 CB GLN A 31 -3.718 15.586 -4.511 1.00 1.32 C ATOM 456 CG GLN A 31 -3.491 14.992 -5.917 1.00 1.48 C ATOM 457 CD GLN A 31 -2.044 15.150 -6.366 1.00 1.62 C ATOM 458 OE1 GLN A 31 -1.713 15.846 -7.324 1.00 2.12 O ATOM 459 NE2 GLN A 31 -1.134 14.506 -5.671 1.00 1.56 N ATOM 0 H GLN A 31 -6.206 16.140 -4.554 1.00 1.09 H new ATOM 0 HA GLN A 31 -4.612 13.758 -3.852 1.00 1.16 H new ATOM 0 HB2 GLN A 31 -4.010 16.632 -4.604 1.00 1.32 H new ATOM 0 HB3 GLN A 31 -2.781 15.565 -3.955 1.00 1.32 H new ATOM 0 HG2 GLN A 31 -3.758 13.935 -5.914 1.00 1.48 H new ATOM 0 HG3 GLN A 31 -4.150 15.485 -6.632 1.00 1.48 H new ATOM 0 HE21 GLN A 31 -1.412 13.930 -4.877 1.00 1.56 H new ATOM 0 HE22 GLN A 31 -0.149 14.582 -5.926 1.00 1.56 H new ATOM 468 N VAL A 32 -4.392 14.191 -1.353 1.00 1.10 N ATOM 469 CA VAL A 32 -4.502 14.316 0.121 1.00 1.11 C ATOM 470 C VAL A 32 -3.293 13.772 0.899 1.00 1.10 C ATOM 471 O VAL A 32 -2.521 12.961 0.385 1.00 1.06 O ATOM 472 CB VAL A 32 -5.788 13.635 0.647 1.00 1.11 C ATOM 473 CG1 VAL A 32 -7.061 14.183 -0.010 1.00 1.10 C ATOM 474 CG2 VAL A 32 -5.780 12.109 0.483 1.00 1.12 C ATOM 0 H VAL A 32 -4.031 13.285 -1.652 1.00 1.10 H new ATOM 0 HA VAL A 32 -4.538 15.390 0.302 1.00 1.11 H new ATOM 0 HB VAL A 32 -5.796 13.874 1.710 1.00 1.11 H new ATOM 0 HG11 VAL A 32 -7.931 13.669 0.398 1.00 1.10 H new ATOM 0 HG12 VAL A 32 -7.144 15.251 0.191 1.00 1.10 H new ATOM 0 HG13 VAL A 32 -7.014 14.019 -1.087 1.00 1.10 H new ATOM 0 HG21 VAL A 32 -6.711 11.696 0.872 1.00 1.12 H new ATOM 0 HG22 VAL A 32 -5.685 11.857 -0.573 1.00 1.12 H new ATOM 0 HG23 VAL A 32 -4.938 11.688 1.033 1.00 1.12 H new ATOM 484 N ASP A 33 -3.172 14.170 2.170 1.00 1.17 N ATOM 485 CA ASP A 33 -2.227 13.602 3.147 1.00 1.17 C ATOM 486 C ASP A 33 -2.720 12.246 3.694 1.00 1.11 C ATOM 487 O ASP A 33 -3.923 12.022 3.837 1.00 1.10 O ATOM 488 CB ASP A 33 -2.008 14.617 4.287 1.00 1.29 C ATOM 489 CG ASP A 33 -0.858 14.271 5.241 1.00 1.66 C ATOM 490 OD1 ASP A 33 -1.097 13.556 6.243 1.00 2.70 O ATOM 491 OD2 ASP A 33 0.275 14.762 5.012 1.00 2.61 O ATOM 0 H ASP A 33 -3.744 14.918 2.562 1.00 1.17 H new ATOM 0 HA ASP A 33 -1.277 13.411 2.648 1.00 1.17 H new ATOM 0 HB2 ASP A 33 -1.817 15.597 3.851 1.00 1.29 H new ATOM 0 HB3 ASP A 33 -2.929 14.699 4.864 1.00 1.29 H new ATOM 496 N VAL A 34 -1.794 11.338 4.025 1.00 1.09 N ATOM 497 CA VAL A 34 -2.108 9.985 4.537 1.00 1.02 C ATOM 498 C VAL A 34 -2.962 9.991 5.815 1.00 1.10 C ATOM 499 O VAL A 34 -3.699 9.038 6.072 1.00 1.11 O ATOM 500 CB VAL A 34 -0.822 9.148 4.707 1.00 1.01 C ATOM 501 CG1 VAL A 34 0.125 9.695 5.783 1.00 1.25 C ATOM 502 CG2 VAL A 34 -1.119 7.674 5.012 1.00 0.97 C ATOM 0 H VAL A 34 -0.793 11.517 3.947 1.00 1.09 H new ATOM 0 HA VAL A 34 -2.730 9.508 3.780 1.00 1.02 H new ATOM 0 HB VAL A 34 -0.322 9.224 3.742 1.00 1.01 H new ATOM 0 HG11 VAL A 34 1.007 9.058 5.849 1.00 1.25 H new ATOM 0 HG12 VAL A 34 0.428 10.709 5.520 1.00 1.25 H new ATOM 0 HG13 VAL A 34 -0.386 9.707 6.746 1.00 1.25 H new ATOM 0 HG21 VAL A 34 -0.181 7.129 5.122 1.00 0.97 H new ATOM 0 HG22 VAL A 34 -1.692 7.602 5.937 1.00 0.97 H new ATOM 0 HG23 VAL A 34 -1.695 7.242 4.194 1.00 0.97 H new ATOM 512 N GLU A 35 -2.959 11.078 6.592 1.00 1.23 N ATOM 513 CA GLU A 35 -3.818 11.206 7.781 1.00 1.31 C ATOM 514 C GLU A 35 -5.315 11.395 7.436 1.00 1.23 C ATOM 515 O GLU A 35 -6.184 11.268 8.303 1.00 1.33 O ATOM 516 CB GLU A 35 -3.273 12.361 8.630 1.00 1.55 C ATOM 517 CG GLU A 35 -3.658 12.288 10.114 1.00 1.78 C ATOM 518 CD GLU A 35 -2.983 13.395 10.937 1.00 2.54 C ATOM 519 OE1 GLU A 35 -2.465 14.380 10.349 1.00 3.74 O ATOM 520 OE2 GLU A 35 -2.950 13.306 12.185 1.00 2.88 O ATOM 0 H GLU A 35 -2.367 11.891 6.420 1.00 1.23 H new ATOM 0 HA GLU A 35 -3.784 10.274 8.345 1.00 1.31 H new ATOM 0 HB2 GLU A 35 -2.186 12.375 8.549 1.00 1.55 H new ATOM 0 HB3 GLU A 35 -3.636 13.303 8.218 1.00 1.55 H new ATOM 0 HG2 GLU A 35 -4.740 12.371 10.213 1.00 1.78 H new ATOM 0 HG3 GLU A 35 -3.375 11.314 10.515 1.00 1.78 H new ATOM 527 N LEU A 36 -5.644 11.683 6.170 1.00 1.13 N ATOM 528 CA LEU A 36 -6.984 12.076 5.708 1.00 1.13 C ATOM 529 C LEU A 36 -7.717 10.977 4.914 1.00 0.99 C ATOM 530 O LEU A 36 -8.866 11.169 4.526 1.00 1.10 O ATOM 531 CB LEU A 36 -6.874 13.370 4.882 1.00 1.24 C ATOM 532 CG LEU A 36 -5.996 14.482 5.486 1.00 1.41 C ATOM 533 CD1 LEU A 36 -6.000 15.671 4.536 1.00 1.55 C ATOM 534 CD2 LEU A 36 -6.456 14.962 6.863 1.00 1.46 C ATOM 0 H LEU A 36 -4.962 11.648 5.412 1.00 1.13 H new ATOM 0 HA LEU A 36 -7.594 12.244 6.596 1.00 1.13 H new ATOM 0 HB2 LEU A 36 -6.480 13.117 3.898 1.00 1.24 H new ATOM 0 HB3 LEU A 36 -7.877 13.768 4.731 1.00 1.24 H new ATOM 0 HG LEU A 36 -5.001 14.057 5.618 1.00 1.41 H new ATOM 0 HD11 LEU A 36 -5.382 16.469 4.949 1.00 1.55 H new ATOM 0 HD12 LEU A 36 -5.600 15.366 3.569 1.00 1.55 H new ATOM 0 HD13 LEU A 36 -7.021 16.032 4.409 1.00 1.55 H new ATOM 0 HD21 LEU A 36 -5.786 15.745 7.218 1.00 1.46 H new ATOM 0 HD22 LEU A 36 -7.469 15.357 6.791 1.00 1.46 H new ATOM 0 HD23 LEU A 36 -6.442 14.127 7.563 1.00 1.46 H new ATOM 546 N VAL A 37 -7.080 9.825 4.686 1.00 0.83 N ATOM 547 CA VAL A 37 -7.708 8.608 4.130 1.00 0.75 C ATOM 548 C VAL A 37 -8.117 7.649 5.257 1.00 0.87 C ATOM 549 O VAL A 37 -7.473 7.623 6.315 1.00 1.47 O ATOM 550 CB VAL A 37 -6.804 7.963 3.055 1.00 0.73 C ATOM 551 CG1 VAL A 37 -5.393 7.628 3.551 1.00 0.84 C ATOM 552 CG2 VAL A 37 -7.411 6.693 2.452 1.00 0.89 C ATOM 0 H VAL A 37 -6.087 9.703 4.886 1.00 0.83 H new ATOM 0 HA VAL A 37 -8.630 8.879 3.616 1.00 0.75 H new ATOM 0 HB VAL A 37 -6.730 8.735 2.289 1.00 0.73 H new ATOM 0 HG11 VAL A 37 -4.819 7.179 2.740 1.00 0.84 H new ATOM 0 HG12 VAL A 37 -4.898 8.540 3.884 1.00 0.84 H new ATOM 0 HG13 VAL A 37 -5.457 6.926 4.382 1.00 0.84 H new ATOM 0 HG21 VAL A 37 -6.732 6.285 1.704 1.00 0.89 H new ATOM 0 HG22 VAL A 37 -7.569 5.956 3.239 1.00 0.89 H new ATOM 0 HG23 VAL A 37 -8.365 6.933 1.983 1.00 0.89 H new ATOM 562 N GLN A 38 -9.197 6.889 5.056 1.00 0.83 N ATOM 563 CA GLN A 38 -9.757 5.937 6.029 1.00 0.84 C ATOM 564 C GLN A 38 -10.190 4.598 5.396 1.00 0.76 C ATOM 565 O GLN A 38 -10.306 4.483 4.173 1.00 0.77 O ATOM 566 CB GLN A 38 -10.879 6.631 6.817 1.00 1.00 C ATOM 567 CG GLN A 38 -11.978 7.264 5.958 1.00 1.86 C ATOM 568 CD GLN A 38 -12.976 7.956 6.841 1.00 1.86 C ATOM 569 OE1 GLN A 38 -12.835 9.126 7.189 1.00 2.85 O ATOM 570 NE2 GLN A 38 -13.980 7.253 7.282 1.00 1.95 N ATOM 0 H GLN A 38 -9.726 6.918 4.184 1.00 0.83 H new ATOM 0 HA GLN A 38 -8.970 5.649 6.726 1.00 0.84 H new ATOM 0 HB2 GLN A 38 -11.336 5.902 7.486 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.437 7.406 7.443 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -11.541 7.977 5.259 1.00 1.86 H new ATOM 0 HG3 GLN A 38 -12.475 6.497 5.363 1.00 1.86 H new ATOM 0 HE21 GLN A 38 -14.091 6.282 6.989 1.00 1.95 H new ATOM 0 HE22 GLN A 38 -14.655 7.673 7.920 1.00 1.95 H new ATOM 579 N ARG A 39 -10.431 3.575 6.234 1.00 0.77 N ATOM 580 CA ARG A 39 -10.621 2.140 5.891 1.00 0.92 C ATOM 581 C ARG A 39 -11.884 1.733 5.097 1.00 1.15 C ATOM 582 O ARG A 39 -12.330 0.584 5.188 1.00 2.06 O ATOM 583 CB ARG A 39 -10.423 1.312 7.175 1.00 1.00 C ATOM 584 CG ARG A 39 -11.617 1.362 8.138 1.00 1.01 C ATOM 585 CD ARG A 39 -11.179 0.976 9.554 1.00 1.27 C ATOM 586 NE ARG A 39 -12.305 1.030 10.498 1.00 1.37 N ATOM 587 CZ ARG A 39 -13.160 0.063 10.766 1.00 1.76 C ATOM 588 NH1 ARG A 39 -13.142 -1.098 10.180 1.00 2.61 N ATOM 589 NH2 ARG A 39 -14.087 0.263 11.649 1.00 1.90 N ATOM 0 H ARG A 39 -10.505 3.731 7.239 1.00 0.77 H new ATOM 0 HA ARG A 39 -9.860 1.917 5.143 1.00 0.92 H new ATOM 0 HB2 ARG A 39 -10.233 0.274 6.901 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -9.535 1.672 7.694 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -12.046 2.364 8.144 1.00 1.01 H new ATOM 0 HG3 ARG A 39 -12.398 0.683 7.795 1.00 1.01 H new ATOM 0 HD2 ARG A 39 -10.758 -0.029 9.545 1.00 1.27 H new ATOM 0 HD3 ARG A 39 -10.389 1.649 9.888 1.00 1.27 H new ATOM 0 HE ARG A 39 -12.439 1.909 10.998 1.00 1.37 H new ATOM 0 HH11 ARG A 39 -12.439 -1.300 9.470 1.00 2.61 H new ATOM 0 HH12 ARG A 39 -13.831 -1.807 10.431 1.00 2.61 H new ATOM 0 HH21 ARG A 39 -14.150 1.161 12.128 1.00 1.90 H new ATOM 0 HH22 ARG A 39 -14.754 -0.478 11.865 1.00 1.90 H new ATOM 603 N GLY A 40 -12.440 2.665 4.325 1.00 0.92 N ATOM 604 CA GLY A 40 -13.530 2.456 3.366 1.00 1.01 C ATOM 605 C GLY A 40 -13.466 3.363 2.123 1.00 0.90 C ATOM 606 O GLY A 40 -14.443 3.416 1.367 1.00 1.06 O ATOM 0 H GLY A 40 -12.129 3.636 4.351 1.00 0.92 H new ATOM 0 HA2 GLY A 40 -13.518 1.415 3.042 1.00 1.01 H new ATOM 0 HA3 GLY A 40 -14.481 2.622 3.873 1.00 1.01 H new ATOM 610 N ASP A 41 -12.367 4.099 1.911 1.00 0.81 N ATOM 611 CA ASP A 41 -12.132 4.926 0.717 1.00 0.80 C ATOM 612 C ASP A 41 -11.559 4.110 -0.460 1.00 0.60 C ATOM 613 O ASP A 41 -10.885 3.096 -0.267 1.00 0.57 O ATOM 614 CB ASP A 41 -11.169 6.078 1.051 1.00 0.97 C ATOM 615 CG ASP A 41 -11.777 7.179 1.922 1.00 1.35 C ATOM 616 OD1 ASP A 41 -12.934 7.601 1.679 1.00 1.69 O ATOM 617 OD2 ASP A 41 -11.072 7.726 2.799 1.00 2.72 O ATOM 0 H ASP A 41 -11.598 4.138 2.580 1.00 0.81 H new ATOM 0 HA ASP A 41 -13.100 5.321 0.410 1.00 0.80 H new ATOM 0 HB2 ASP A 41 -10.296 5.669 1.560 1.00 0.97 H new ATOM 0 HB3 ASP A 41 -10.816 6.522 0.120 1.00 0.97 H new ATOM 622 N ILE A 42 -11.767 4.594 -1.693 1.00 0.60 N ATOM 623 CA ILE A 42 -11.153 4.023 -2.906 1.00 0.54 C ATOM 624 C ILE A 42 -10.133 5.003 -3.496 1.00 0.51 C ATOM 625 O ILE A 42 -10.464 6.160 -3.786 1.00 0.60 O ATOM 626 CB ILE A 42 -12.201 3.553 -3.940 1.00 0.73 C ATOM 627 CG1 ILE A 42 -13.284 2.671 -3.279 1.00 0.90 C ATOM 628 CG2 ILE A 42 -11.490 2.782 -5.068 1.00 0.90 C ATOM 629 CD1 ILE A 42 -14.280 2.049 -4.263 1.00 1.33 C ATOM 0 H ILE A 42 -12.368 5.396 -1.880 1.00 0.60 H new ATOM 0 HA ILE A 42 -10.617 3.119 -2.617 1.00 0.54 H new ATOM 0 HB ILE A 42 -12.701 4.428 -4.356 1.00 0.73 H new ATOM 0 HG12 ILE A 42 -12.795 1.872 -2.722 1.00 0.90 H new ATOM 0 HG13 ILE A 42 -13.834 3.273 -2.556 1.00 0.90 H new ATOM 0 HG21 ILE A 42 -12.225 2.448 -5.800 1.00 0.90 H new ATOM 0 HG22 ILE A 42 -10.765 3.435 -5.554 1.00 0.90 H new ATOM 0 HG23 ILE A 42 -10.976 1.917 -4.649 1.00 0.90 H new ATOM 0 HD11 ILE A 42 -15.005 1.446 -3.715 1.00 1.33 H new ATOM 0 HD12 ILE A 42 -14.800 2.840 -4.803 1.00 1.33 H new ATOM 0 HD13 ILE A 42 -13.745 1.417 -4.972 1.00 1.33 H new ATOM 641 N ILE A 43 -8.904 4.517 -3.674 1.00 0.47 N ATOM 642 CA ILE A 43 -7.693 5.269 -4.010 1.00 0.51 C ATOM 643 C ILE A 43 -7.086 4.750 -5.318 1.00 0.53 C ATOM 644 O ILE A 43 -6.846 3.546 -5.453 1.00 0.63 O ATOM 645 CB ILE A 43 -6.668 5.100 -2.857 1.00 0.58 C ATOM 646 CG1 ILE A 43 -7.220 5.444 -1.455 1.00 0.69 C ATOM 647 CG2 ILE A 43 -5.374 5.887 -3.121 1.00 0.66 C ATOM 648 CD1 ILE A 43 -7.783 6.860 -1.312 1.00 0.78 C ATOM 0 H ILE A 43 -8.715 3.519 -3.581 1.00 0.47 H new ATOM 0 HA ILE A 43 -7.945 6.322 -4.140 1.00 0.51 H new ATOM 0 HB ILE A 43 -6.445 4.033 -2.847 1.00 0.58 H new ATOM 0 HG12 ILE A 43 -8.005 4.730 -1.205 1.00 0.69 H new ATOM 0 HG13 ILE A 43 -6.422 5.311 -0.724 1.00 0.69 H new ATOM 0 HG21 ILE A 43 -4.684 5.742 -2.290 1.00 0.66 H new ATOM 0 HG22 ILE A 43 -4.913 5.531 -4.042 1.00 0.66 H new ATOM 0 HG23 ILE A 43 -5.607 6.947 -3.218 1.00 0.66 H new ATOM 0 HD11 ILE A 43 -8.146 7.006 -0.295 1.00 0.78 H new ATOM 0 HD12 ILE A 43 -6.999 7.587 -1.526 1.00 0.78 H new ATOM 0 HD13 ILE A 43 -8.606 6.997 -2.014 1.00 0.78 H new ATOM 660 N LYS A 44 -6.786 5.633 -6.281 1.00 0.66 N ATOM 661 CA LYS A 44 -6.030 5.252 -7.491 1.00 0.70 C ATOM 662 C LYS A 44 -4.529 5.474 -7.279 1.00 0.69 C ATOM 663 O LYS A 44 -4.118 6.553 -6.853 1.00 0.95 O ATOM 664 CB LYS A 44 -6.591 5.938 -8.750 1.00 1.09 C ATOM 665 CG LYS A 44 -6.273 5.074 -9.987 1.00 1.92 C ATOM 666 CD LYS A 44 -6.860 5.612 -11.291 1.00 2.05 C ATOM 667 CE LYS A 44 -8.330 5.226 -11.500 1.00 1.91 C ATOM 668 NZ LYS A 44 -8.879 5.905 -12.698 1.00 2.21 N ATOM 0 H LYS A 44 -7.054 6.617 -6.249 1.00 0.66 H new ATOM 0 HA LYS A 44 -6.160 4.184 -7.667 1.00 0.70 H new ATOM 0 HB2 LYS A 44 -7.668 6.074 -8.654 1.00 1.09 H new ATOM 0 HB3 LYS A 44 -6.153 6.930 -8.863 1.00 1.09 H new ATOM 0 HG2 LYS A 44 -5.191 4.995 -10.093 1.00 1.92 H new ATOM 0 HG3 LYS A 44 -6.651 4.066 -9.820 1.00 1.92 H new ATOM 0 HD2 LYS A 44 -6.772 6.698 -11.300 1.00 2.05 H new ATOM 0 HD3 LYS A 44 -6.271 5.238 -12.128 1.00 2.05 H new ATOM 0 HE2 LYS A 44 -8.416 4.146 -11.616 1.00 1.91 H new ATOM 0 HE3 LYS A 44 -8.913 5.500 -10.620 1.00 1.91 H new ATOM 0 HZ1 LYS A 44 -9.875 5.633 -12.825 1.00 2.21 H new ATOM 0 HZ2 LYS A 44 -8.815 6.935 -12.573 1.00 2.21 H new ATOM 0 HZ3 LYS A 44 -8.333 5.623 -13.537 1.00 2.21 H new ATOM 682 N VAL A 45 -3.715 4.456 -7.558 1.00 0.60 N ATOM 683 CA VAL A 45 -2.253 4.472 -7.373 1.00 0.67 C ATOM 684 C VAL A 45 -1.549 4.665 -8.717 1.00 0.70 C ATOM 685 O VAL A 45 -1.911 4.021 -9.700 1.00 0.68 O ATOM 686 CB VAL A 45 -1.787 3.204 -6.624 1.00 0.65 C ATOM 687 CG1 VAL A 45 -1.837 1.934 -7.477 1.00 0.62 C ATOM 688 CG2 VAL A 45 -0.358 3.330 -6.087 1.00 0.76 C ATOM 0 H VAL A 45 -4.058 3.570 -7.930 1.00 0.60 H new ATOM 0 HA VAL A 45 -1.976 5.321 -6.748 1.00 0.67 H new ATOM 0 HB VAL A 45 -2.498 3.117 -5.802 1.00 0.65 H new ATOM 0 HG11 VAL A 45 -1.496 1.085 -6.885 1.00 0.62 H new ATOM 0 HG12 VAL A 45 -2.861 1.758 -7.808 1.00 0.62 H new ATOM 0 HG13 VAL A 45 -1.190 2.054 -8.346 1.00 0.62 H new ATOM 0 HG21 VAL A 45 -0.081 2.411 -5.570 1.00 0.76 H new ATOM 0 HG22 VAL A 45 0.329 3.500 -6.916 1.00 0.76 H new ATOM 0 HG23 VAL A 45 -0.303 4.168 -5.392 1.00 0.76 H new ATOM 698 N VAL A 46 -0.541 5.537 -8.762 1.00 0.82 N ATOM 699 CA VAL A 46 0.228 5.858 -9.982 1.00 0.87 C ATOM 700 C VAL A 46 1.439 4.929 -10.174 1.00 0.92 C ATOM 701 O VAL A 46 1.952 4.391 -9.187 1.00 1.01 O ATOM 702 CB VAL A 46 0.676 7.339 -9.986 1.00 1.00 C ATOM 703 CG1 VAL A 46 -0.537 8.279 -10.009 1.00 0.98 C ATOM 704 CG2 VAL A 46 1.572 7.713 -8.796 1.00 1.24 C ATOM 0 H VAL A 46 -0.224 6.053 -7.941 1.00 0.82 H new ATOM 0 HA VAL A 46 -0.443 5.694 -10.825 1.00 0.87 H new ATOM 0 HB VAL A 46 1.267 7.459 -10.894 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -0.195 9.314 -10.011 1.00 0.98 H new ATOM 0 HG12 VAL A 46 -1.127 8.090 -10.906 1.00 0.98 H new ATOM 0 HG13 VAL A 46 -1.151 8.102 -9.126 1.00 0.98 H new ATOM 0 HG21 VAL A 46 1.847 8.765 -8.864 1.00 1.24 H new ATOM 0 HG22 VAL A 46 1.032 7.539 -7.865 1.00 1.24 H new ATOM 0 HG23 VAL A 46 2.473 7.100 -8.813 1.00 1.24 H new ATOM 714 N PRO A 47 1.952 4.741 -11.409 1.00 0.95 N ATOM 715 CA PRO A 47 3.234 4.070 -11.620 1.00 1.07 C ATOM 716 C PRO A 47 4.380 4.800 -10.904 1.00 1.09 C ATOM 717 O PRO A 47 4.374 6.027 -10.774 1.00 1.27 O ATOM 718 CB PRO A 47 3.437 3.990 -13.131 1.00 1.14 C ATOM 719 CG PRO A 47 2.545 5.095 -13.690 1.00 1.25 C ATOM 720 CD PRO A 47 1.396 5.173 -12.684 1.00 0.95 C ATOM 0 HA PRO A 47 3.231 3.069 -11.189 1.00 1.07 H new ATOM 0 HB2 PRO A 47 4.481 4.147 -13.401 1.00 1.14 H new ATOM 0 HB3 PRO A 47 3.151 3.013 -13.520 1.00 1.14 H new ATOM 0 HG2 PRO A 47 3.079 6.043 -13.763 1.00 1.25 H new ATOM 0 HG3 PRO A 47 2.186 4.853 -14.690 1.00 1.25 H new ATOM 0 HD2 PRO A 47 1.005 6.188 -12.616 1.00 0.95 H new ATOM 0 HD3 PRO A 47 0.568 4.532 -12.986 1.00 0.95 H new ATOM 728 N GLY A 48 5.329 4.027 -10.371 1.00 1.03 N ATOM 729 CA GLY A 48 6.376 4.510 -9.459 1.00 1.12 C ATOM 730 C GLY A 48 5.864 4.935 -8.069 1.00 1.12 C ATOM 731 O GLY A 48 6.667 5.236 -7.186 1.00 1.33 O ATOM 0 H GLY A 48 5.395 3.027 -10.563 1.00 1.03 H new ATOM 0 HA2 GLY A 48 7.122 3.725 -9.334 1.00 1.12 H new ATOM 0 HA3 GLY A 48 6.881 5.358 -9.922 1.00 1.12 H new ATOM 735 N GLY A 49 4.546 4.972 -7.841 1.00 0.98 N ATOM 736 CA GLY A 49 3.944 5.304 -6.552 1.00 0.98 C ATOM 737 C GLY A 49 4.165 4.223 -5.491 1.00 0.95 C ATOM 738 O GLY A 49 4.269 3.033 -5.800 1.00 1.15 O ATOM 0 H GLY A 49 3.857 4.767 -8.565 1.00 0.98 H new ATOM 0 HA2 GLY A 49 4.360 6.246 -6.195 1.00 0.98 H new ATOM 0 HA3 GLY A 49 2.874 5.459 -6.687 1.00 0.98 H new ATOM 742 N LYS A 50 4.205 4.648 -4.224 1.00 1.00 N ATOM 743 CA LYS A 50 4.289 3.771 -3.046 1.00 1.02 C ATOM 744 C LYS A 50 2.925 3.653 -2.354 1.00 1.11 C ATOM 745 O LYS A 50 2.181 4.635 -2.261 1.00 1.42 O ATOM 746 CB LYS A 50 5.376 4.276 -2.081 1.00 1.04 C ATOM 747 CG LYS A 50 6.803 4.115 -2.624 1.00 0.99 C ATOM 748 CD LYS A 50 7.833 4.749 -1.674 1.00 1.21 C ATOM 749 CE LYS A 50 9.251 4.293 -2.031 1.00 1.34 C ATOM 750 NZ LYS A 50 10.286 4.991 -1.236 1.00 1.97 N ATOM 0 H LYS A 50 4.179 5.638 -3.980 1.00 1.00 H new ATOM 0 HA LYS A 50 4.572 2.771 -3.373 1.00 1.02 H new ATOM 0 HB2 LYS A 50 5.196 5.329 -1.863 1.00 1.04 H new ATOM 0 HB3 LYS A 50 5.292 3.736 -1.138 1.00 1.04 H new ATOM 0 HG2 LYS A 50 7.028 3.057 -2.755 1.00 0.99 H new ATOM 0 HG3 LYS A 50 6.876 4.580 -3.607 1.00 0.99 H new ATOM 0 HD2 LYS A 50 7.769 5.836 -1.733 1.00 1.21 H new ATOM 0 HD3 LYS A 50 7.605 4.472 -0.645 1.00 1.21 H new ATOM 0 HE2 LYS A 50 9.336 3.218 -1.869 1.00 1.34 H new ATOM 0 HE3 LYS A 50 9.430 4.470 -3.091 1.00 1.34 H new ATOM 0 HZ1 LYS A 50 11.228 4.648 -1.514 1.00 1.97 H new ATOM 0 HZ2 LYS A 50 10.225 6.015 -1.409 1.00 1.97 H new ATOM 0 HZ3 LYS A 50 10.133 4.802 -0.225 1.00 1.97 H new ATOM 764 N PHE A 51 2.595 2.469 -1.840 1.00 0.96 N ATOM 765 CA PHE A 51 1.314 2.221 -1.165 1.00 0.95 C ATOM 766 C PHE A 51 1.278 2.833 0.258 1.00 0.95 C ATOM 767 O PHE A 51 2.148 2.515 1.073 1.00 1.00 O ATOM 768 CB PHE A 51 1.008 0.715 -1.160 1.00 0.94 C ATOM 769 CG PHE A 51 0.487 0.209 -2.495 1.00 0.97 C ATOM 770 CD1 PHE A 51 -0.893 0.249 -2.764 1.00 2.12 C ATOM 771 CD2 PHE A 51 1.367 -0.279 -3.479 1.00 1.47 C ATOM 772 CE1 PHE A 51 -1.381 -0.198 -4.004 1.00 2.32 C ATOM 773 CE2 PHE A 51 0.879 -0.733 -4.716 1.00 1.40 C ATOM 774 CZ PHE A 51 -0.501 -0.700 -4.977 1.00 1.27 C ATOM 0 H PHE A 51 3.205 1.653 -1.878 1.00 0.96 H new ATOM 0 HA PHE A 51 0.527 2.725 -1.725 1.00 0.95 H new ATOM 0 HB2 PHE A 51 1.913 0.167 -0.899 1.00 0.94 H new ATOM 0 HB3 PHE A 51 0.272 0.502 -0.385 1.00 0.94 H new ATOM 0 HD1 PHE A 51 -1.578 0.623 -2.018 1.00 2.12 H new ATOM 0 HD2 PHE A 51 2.428 -0.305 -3.281 1.00 1.47 H new ATOM 0 HE1 PHE A 51 -2.440 -0.155 -4.210 1.00 2.32 H new ATOM 0 HE2 PHE A 51 1.563 -1.106 -5.464 1.00 1.40 H new ATOM 0 HZ PHE A 51 -0.883 -1.059 -5.921 1.00 1.27 H new ATOM 784 N PRO A 52 0.288 3.683 0.605 1.00 0.92 N ATOM 785 CA PRO A 52 0.205 4.313 1.931 1.00 0.90 C ATOM 786 C PRO A 52 -0.410 3.409 3.014 1.00 0.79 C ATOM 787 O PRO A 52 -0.119 3.585 4.195 1.00 0.79 O ATOM 788 CB PRO A 52 -0.642 5.575 1.713 1.00 0.94 C ATOM 789 CG PRO A 52 -1.557 5.209 0.545 1.00 0.87 C ATOM 790 CD PRO A 52 -0.714 4.247 -0.290 1.00 0.90 C ATOM 0 HA PRO A 52 1.204 4.529 2.310 1.00 0.90 H new ATOM 0 HB2 PRO A 52 -1.215 5.830 2.604 1.00 0.94 H new ATOM 0 HB3 PRO A 52 -0.019 6.438 1.477 1.00 0.94 H new ATOM 0 HG2 PRO A 52 -2.477 4.738 0.890 1.00 0.87 H new ATOM 0 HG3 PRO A 52 -1.845 6.090 -0.029 1.00 0.87 H new ATOM 0 HD2 PRO A 52 -1.335 3.461 -0.720 1.00 0.90 H new ATOM 0 HD3 PRO A 52 -0.240 4.769 -1.121 1.00 0.90 H new ATOM 798 N VAL A 53 -1.243 2.445 2.616 1.00 0.72 N ATOM 799 CA VAL A 53 -2.006 1.507 3.460 1.00 0.65 C ATOM 800 C VAL A 53 -2.244 0.206 2.676 1.00 0.62 C ATOM 801 O VAL A 53 -1.926 0.150 1.485 1.00 0.71 O ATOM 802 CB VAL A 53 -3.350 2.099 3.939 1.00 0.73 C ATOM 803 CG1 VAL A 53 -3.167 3.279 4.899 1.00 0.79 C ATOM 804 CG2 VAL A 53 -4.241 2.556 2.785 1.00 0.80 C ATOM 0 H VAL A 53 -1.419 2.283 1.624 1.00 0.72 H new ATOM 0 HA VAL A 53 -1.418 1.306 4.355 1.00 0.65 H new ATOM 0 HB VAL A 53 -3.837 1.277 4.465 1.00 0.73 H new ATOM 0 HG11 VAL A 53 -4.144 3.655 5.203 1.00 0.79 H new ATOM 0 HG12 VAL A 53 -2.615 2.950 5.779 1.00 0.79 H new ATOM 0 HG13 VAL A 53 -2.612 4.073 4.398 1.00 0.79 H new ATOM 0 HG21 VAL A 53 -5.171 2.963 3.182 1.00 0.80 H new ATOM 0 HG22 VAL A 53 -3.725 3.325 2.210 1.00 0.80 H new ATOM 0 HG23 VAL A 53 -4.463 1.707 2.139 1.00 0.80 H new ATOM 814 N ASP A 54 -2.776 -0.834 3.322 1.00 0.60 N ATOM 815 CA ASP A 54 -3.110 -2.112 2.674 1.00 0.64 C ATOM 816 C ASP A 54 -4.580 -2.159 2.196 1.00 0.73 C ATOM 817 O ASP A 54 -5.453 -1.481 2.751 1.00 0.88 O ATOM 818 CB ASP A 54 -2.686 -3.284 3.576 1.00 0.70 C ATOM 819 CG ASP A 54 -3.733 -3.775 4.570 1.00 0.86 C ATOM 820 OD1 ASP A 54 -4.583 -4.603 4.175 1.00 2.27 O ATOM 821 OD2 ASP A 54 -3.592 -3.465 5.774 1.00 1.64 O ATOM 0 H ASP A 54 -2.990 -0.816 4.319 1.00 0.60 H new ATOM 0 HA ASP A 54 -2.535 -2.210 1.753 1.00 0.64 H new ATOM 0 HB2 ASP A 54 -2.398 -4.121 2.940 1.00 0.70 H new ATOM 0 HB3 ASP A 54 -1.797 -2.985 4.132 1.00 0.70 H new ATOM 826 N GLY A 55 -4.856 -2.928 1.136 1.00 0.69 N ATOM 827 CA GLY A 55 -6.210 -3.018 0.576 1.00 0.75 C ATOM 828 C GLY A 55 -6.390 -3.979 -0.605 1.00 0.63 C ATOM 829 O GLY A 55 -5.479 -4.724 -0.983 1.00 0.66 O ATOM 0 H GLY A 55 -4.162 -3.496 0.650 1.00 0.69 H new ATOM 0 HA2 GLY A 55 -6.891 -3.321 1.372 1.00 0.75 H new ATOM 0 HA3 GLY A 55 -6.516 -2.022 0.257 1.00 0.75 H new ATOM 833 N ARG A 56 -7.584 -3.928 -1.209 1.00 0.62 N ATOM 834 CA ARG A 56 -8.035 -4.814 -2.299 1.00 0.67 C ATOM 835 C ARG A 56 -8.105 -4.073 -3.640 1.00 0.63 C ATOM 836 O ARG A 56 -8.689 -2.997 -3.736 1.00 0.70 O ATOM 837 CB ARG A 56 -9.362 -5.471 -1.879 1.00 0.87 C ATOM 838 CG ARG A 56 -9.718 -6.717 -2.706 1.00 0.97 C ATOM 839 CD ARG A 56 -10.875 -7.513 -2.081 1.00 1.18 C ATOM 840 NE ARG A 56 -12.130 -6.742 -2.060 1.00 2.09 N ATOM 841 CZ ARG A 56 -12.705 -6.150 -1.030 1.00 3.28 C ATOM 842 NH1 ARG A 56 -12.264 -6.186 0.194 1.00 4.33 N ATOM 843 NH2 ARG A 56 -13.779 -5.471 -1.259 1.00 4.24 N ATOM 0 H ARG A 56 -8.292 -3.243 -0.944 1.00 0.62 H new ATOM 0 HA ARG A 56 -7.307 -5.608 -2.465 1.00 0.67 H new ATOM 0 HB2 ARG A 56 -9.304 -5.748 -0.826 1.00 0.87 H new ATOM 0 HB3 ARG A 56 -10.166 -4.741 -1.973 1.00 0.87 H new ATOM 0 HG2 ARG A 56 -9.991 -6.415 -3.717 1.00 0.97 H new ATOM 0 HG3 ARG A 56 -8.841 -7.359 -2.791 1.00 0.97 H new ATOM 0 HD2 ARG A 56 -11.026 -8.435 -2.643 1.00 1.18 H new ATOM 0 HD3 ARG A 56 -10.609 -7.800 -1.064 1.00 1.18 H new ATOM 0 HE ARG A 56 -12.615 -6.655 -2.953 1.00 2.09 H new ATOM 0 HH11 ARG A 56 -11.412 -6.701 0.414 1.00 4.33 H new ATOM 0 HH12 ARG A 56 -12.771 -5.699 0.933 1.00 4.33 H new ATOM 0 HH21 ARG A 56 -14.150 -5.408 -2.207 1.00 4.24 H new ATOM 0 HH22 ARG A 56 -14.256 -4.997 -0.492 1.00 4.24 H new ATOM 857 N VAL A 57 -7.493 -4.645 -4.673 1.00 0.59 N ATOM 858 CA VAL A 57 -7.347 -4.099 -6.033 1.00 0.53 C ATOM 859 C VAL A 57 -8.568 -4.485 -6.863 1.00 0.53 C ATOM 860 O VAL A 57 -8.906 -5.665 -6.918 1.00 0.62 O ATOM 861 CB VAL A 57 -6.079 -4.657 -6.715 1.00 0.59 C ATOM 862 CG1 VAL A 57 -5.836 -3.985 -8.071 1.00 0.60 C ATOM 863 CG2 VAL A 57 -4.808 -4.495 -5.868 1.00 0.76 C ATOM 0 H VAL A 57 -7.055 -5.562 -4.584 1.00 0.59 H new ATOM 0 HA VAL A 57 -7.261 -3.015 -5.965 1.00 0.53 H new ATOM 0 HB VAL A 57 -6.273 -5.722 -6.843 1.00 0.59 H new ATOM 0 HG11 VAL A 57 -4.936 -4.399 -8.526 1.00 0.60 H new ATOM 0 HG12 VAL A 57 -6.689 -4.165 -8.725 1.00 0.60 H new ATOM 0 HG13 VAL A 57 -5.709 -2.912 -7.928 1.00 0.60 H new ATOM 0 HG21 VAL A 57 -3.956 -4.908 -6.408 1.00 0.76 H new ATOM 0 HG22 VAL A 57 -4.634 -3.437 -5.671 1.00 0.76 H new ATOM 0 HG23 VAL A 57 -4.930 -5.024 -4.923 1.00 0.76 H new ATOM 873 N ILE A 58 -9.225 -3.522 -7.511 1.00 0.49 N ATOM 874 CA ILE A 58 -10.503 -3.742 -8.221 1.00 0.59 C ATOM 875 C ILE A 58 -10.625 -2.950 -9.540 1.00 0.59 C ATOM 876 O ILE A 58 -11.726 -2.633 -9.991 1.00 0.68 O ATOM 877 CB ILE A 58 -11.679 -3.427 -7.255 1.00 0.73 C ATOM 878 CG1 ILE A 58 -11.397 -2.119 -6.483 1.00 0.73 C ATOM 879 CG2 ILE A 58 -11.920 -4.592 -6.279 1.00 0.85 C ATOM 880 CD1 ILE A 58 -12.634 -1.491 -5.838 1.00 1.01 C ATOM 0 H ILE A 58 -8.891 -2.560 -7.563 1.00 0.49 H new ATOM 0 HA ILE A 58 -10.538 -4.789 -8.520 1.00 0.59 H new ATOM 0 HB ILE A 58 -12.584 -3.296 -7.848 1.00 0.73 H new ATOM 0 HG12 ILE A 58 -10.659 -2.321 -5.706 1.00 0.73 H new ATOM 0 HG13 ILE A 58 -10.951 -1.396 -7.166 1.00 0.73 H new ATOM 0 HG21 ILE A 58 -12.748 -4.345 -5.615 1.00 0.85 H new ATOM 0 HG22 ILE A 58 -12.163 -5.494 -6.841 1.00 0.85 H new ATOM 0 HG23 ILE A 58 -11.020 -4.764 -5.688 1.00 0.85 H new ATOM 0 HD11 ILE A 58 -12.348 -0.577 -5.317 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -13.366 -1.254 -6.610 1.00 1.01 H new ATOM 0 HD13 ILE A 58 -13.070 -2.193 -5.127 1.00 1.01 H new ATOM 892 N GLU A 59 -9.498 -2.686 -10.201 1.00 0.55 N ATOM 893 CA GLU A 59 -9.406 -2.231 -11.596 1.00 0.61 C ATOM 894 C GLU A 59 -7.939 -2.252 -12.047 1.00 0.61 C ATOM 895 O GLU A 59 -7.061 -1.833 -11.283 1.00 0.63 O ATOM 896 CB GLU A 59 -9.985 -0.816 -11.821 1.00 0.70 C ATOM 897 CG GLU A 59 -11.045 -0.758 -12.936 1.00 1.27 C ATOM 898 CD GLU A 59 -10.561 -1.310 -14.287 1.00 1.84 C ATOM 899 OE1 GLU A 59 -9.964 -0.551 -15.088 1.00 2.76 O ATOM 900 OE2 GLU A 59 -10.797 -2.510 -14.575 1.00 2.92 O ATOM 0 H GLU A 59 -8.582 -2.787 -9.763 1.00 0.55 H new ATOM 0 HA GLU A 59 -10.009 -2.920 -12.188 1.00 0.61 H new ATOM 0 HB2 GLU A 59 -10.428 -0.461 -10.890 1.00 0.70 H new ATOM 0 HB3 GLU A 59 -9.171 -0.134 -12.068 1.00 0.70 H new ATOM 0 HG2 GLU A 59 -11.923 -1.321 -12.619 1.00 1.27 H new ATOM 0 HG3 GLU A 59 -11.361 0.277 -13.070 1.00 1.27 H new ATOM 907 N GLY A 60 -7.689 -2.648 -13.296 1.00 0.64 N ATOM 908 CA GLY A 60 -6.382 -2.528 -13.940 1.00 0.66 C ATOM 909 C GLY A 60 -5.455 -3.732 -13.751 1.00 0.67 C ATOM 910 O GLY A 60 -5.819 -4.763 -13.186 1.00 0.75 O ATOM 0 H GLY A 60 -8.399 -3.067 -13.896 1.00 0.64 H new ATOM 0 HA2 GLY A 60 -6.533 -2.369 -15.008 1.00 0.66 H new ATOM 0 HA3 GLY A 60 -5.883 -1.640 -13.553 1.00 0.66 H new ATOM 914 N HIS A 61 -4.229 -3.580 -14.242 1.00 0.63 N ATOM 915 CA HIS A 61 -3.265 -4.675 -14.404 1.00 0.72 C ATOM 916 C HIS A 61 -1.825 -4.165 -14.276 1.00 0.71 C ATOM 917 O HIS A 61 -1.298 -3.485 -15.158 1.00 1.02 O ATOM 918 CB HIS A 61 -3.518 -5.424 -15.733 1.00 0.90 C ATOM 919 CG HIS A 61 -4.241 -4.662 -16.826 1.00 1.44 C ATOM 920 ND1 HIS A 61 -5.514 -4.927 -17.278 1.00 2.52 N ATOM 921 CD2 HIS A 61 -3.773 -3.602 -17.558 1.00 2.06 C ATOM 922 CE1 HIS A 61 -5.799 -4.064 -18.265 1.00 2.91 C ATOM 923 NE2 HIS A 61 -4.770 -3.220 -18.473 1.00 2.60 N ATOM 0 H HIS A 61 -3.866 -2.677 -14.546 1.00 0.63 H new ATOM 0 HA HIS A 61 -3.409 -5.395 -13.598 1.00 0.72 H new ATOM 0 HB2 HIS A 61 -2.555 -5.749 -16.127 1.00 0.90 H new ATOM 0 HB3 HIS A 61 -4.092 -6.324 -15.511 1.00 0.90 H new ATOM 0 HD2 HIS A 61 -2.803 -3.139 -17.450 1.00 2.06 H new ATOM 0 HE1 HIS A 61 -6.727 -4.048 -18.817 1.00 2.91 H new ATOM 0 HE2 HIS A 61 -4.724 -2.461 -19.153 1.00 2.60 H new ATOM 931 N SER A 62 -1.200 -4.431 -13.129 1.00 0.62 N ATOM 932 CA SER A 62 0.118 -3.886 -12.781 1.00 0.66 C ATOM 933 C SER A 62 0.981 -4.861 -11.986 1.00 0.70 C ATOM 934 O SER A 62 0.511 -5.909 -11.546 1.00 0.71 O ATOM 935 CB SER A 62 -0.053 -2.571 -12.021 1.00 0.86 C ATOM 936 OG SER A 62 1.053 -1.734 -12.244 1.00 1.07 O ATOM 0 H SER A 62 -1.595 -5.035 -12.408 1.00 0.62 H new ATOM 0 HA SER A 62 0.649 -3.707 -13.716 1.00 0.66 H new ATOM 0 HB2 SER A 62 -0.967 -2.072 -12.344 1.00 0.86 H new ATOM 0 HB3 SER A 62 -0.158 -2.770 -10.955 1.00 0.86 H new ATOM 0 HG SER A 62 0.742 -0.826 -12.440 1.00 1.07 H new ATOM 942 N MET A 63 2.241 -4.491 -11.766 1.00 0.86 N ATOM 943 CA MET A 63 3.246 -5.305 -11.091 1.00 0.86 C ATOM 944 C MET A 63 3.842 -4.530 -9.906 1.00 0.85 C ATOM 945 O MET A 63 4.151 -3.342 -10.027 1.00 0.97 O ATOM 946 CB MET A 63 4.271 -5.755 -12.140 1.00 0.92 C ATOM 947 CG MET A 63 5.330 -6.694 -11.568 1.00 0.93 C ATOM 948 SD MET A 63 6.137 -7.757 -12.794 1.00 1.03 S ATOM 949 CE MET A 63 4.829 -8.987 -13.064 1.00 1.02 C ATOM 0 H MET A 63 2.601 -3.584 -12.064 1.00 0.86 H new ATOM 0 HA MET A 63 2.816 -6.205 -10.652 1.00 0.86 H new ATOM 0 HB2 MET A 63 3.752 -6.255 -12.957 1.00 0.92 H new ATOM 0 HB3 MET A 63 4.760 -4.878 -12.563 1.00 0.92 H new ATOM 0 HG2 MET A 63 6.092 -6.098 -11.065 1.00 0.93 H new ATOM 0 HG3 MET A 63 4.866 -7.324 -10.809 1.00 0.93 H new ATOM 0 HE1 MET A 63 5.276 -9.976 -13.170 1.00 1.02 H new ATOM 0 HE2 MET A 63 4.147 -8.986 -12.214 1.00 1.02 H new ATOM 0 HE3 MET A 63 4.278 -8.739 -13.971 1.00 1.02 H new ATOM 959 N VAL A 64 3.948 -5.200 -8.755 1.00 0.78 N ATOM 960 CA VAL A 64 4.271 -4.601 -7.449 1.00 0.76 C ATOM 961 C VAL A 64 5.509 -5.249 -6.821 1.00 0.76 C ATOM 962 O VAL A 64 5.657 -6.470 -6.847 1.00 0.82 O ATOM 963 CB VAL A 64 3.047 -4.680 -6.510 1.00 0.76 C ATOM 964 CG1 VAL A 64 3.316 -4.113 -5.112 1.00 0.77 C ATOM 965 CG2 VAL A 64 1.856 -3.897 -7.089 1.00 0.78 C ATOM 0 H VAL A 64 3.807 -6.209 -8.701 1.00 0.78 H new ATOM 0 HA VAL A 64 4.514 -3.550 -7.605 1.00 0.76 H new ATOM 0 HB VAL A 64 2.825 -5.744 -6.428 1.00 0.76 H new ATOM 0 HG11 VAL A 64 2.415 -4.200 -4.505 1.00 0.77 H new ATOM 0 HG12 VAL A 64 4.126 -4.672 -4.642 1.00 0.77 H new ATOM 0 HG13 VAL A 64 3.599 -3.064 -5.193 1.00 0.77 H new ATOM 0 HG21 VAL A 64 1.008 -3.969 -6.408 1.00 0.78 H new ATOM 0 HG22 VAL A 64 2.134 -2.850 -7.213 1.00 0.78 H new ATOM 0 HG23 VAL A 64 1.581 -4.316 -8.057 1.00 0.78 H new ATOM 975 N ASP A 65 6.395 -4.437 -6.246 1.00 0.72 N ATOM 976 CA ASP A 65 7.667 -4.868 -5.652 1.00 0.68 C ATOM 977 C ASP A 65 7.515 -5.076 -4.127 1.00 0.58 C ATOM 978 O ASP A 65 7.439 -4.116 -3.354 1.00 0.66 O ATOM 979 CB ASP A 65 8.742 -3.834 -6.046 1.00 0.81 C ATOM 980 CG ASP A 65 10.167 -4.387 -6.022 1.00 0.94 C ATOM 981 OD1 ASP A 65 10.468 -5.314 -6.805 1.00 2.18 O ATOM 982 OD2 ASP A 65 11.031 -3.831 -5.302 1.00 1.81 O ATOM 0 H ASP A 65 6.246 -3.430 -6.177 1.00 0.72 H new ATOM 0 HA ASP A 65 7.981 -5.839 -6.034 1.00 0.68 H new ATOM 0 HB2 ASP A 65 8.524 -3.460 -7.046 1.00 0.81 H new ATOM 0 HB3 ASP A 65 8.681 -2.983 -5.367 1.00 0.81 H new ATOM 987 N GLU A 66 7.435 -6.338 -3.692 1.00 0.55 N ATOM 988 CA GLU A 66 7.088 -6.756 -2.315 1.00 0.56 C ATOM 989 C GLU A 66 8.283 -7.330 -1.521 1.00 0.56 C ATOM 990 O GLU A 66 8.142 -7.691 -0.351 1.00 0.67 O ATOM 991 CB GLU A 66 5.935 -7.786 -2.339 1.00 0.74 C ATOM 992 CG GLU A 66 4.689 -7.340 -3.121 1.00 1.06 C ATOM 993 CD GLU A 66 3.465 -8.245 -2.891 1.00 1.08 C ATOM 994 OE1 GLU A 66 3.600 -9.464 -2.621 1.00 1.48 O ATOM 995 OE2 GLU A 66 2.320 -7.741 -2.989 1.00 2.06 O ATOM 0 H GLU A 66 7.616 -7.132 -4.307 1.00 0.55 H new ATOM 0 HA GLU A 66 6.774 -5.850 -1.797 1.00 0.56 H new ATOM 0 HB2 GLU A 66 6.305 -8.715 -2.772 1.00 0.74 H new ATOM 0 HB3 GLU A 66 5.643 -8.007 -1.313 1.00 0.74 H new ATOM 0 HG2 GLU A 66 4.436 -6.319 -2.834 1.00 1.06 H new ATOM 0 HG3 GLU A 66 4.924 -7.323 -4.185 1.00 1.06 H new ATOM 1002 N SER A 67 9.460 -7.417 -2.147 1.00 0.63 N ATOM 1003 CA SER A 67 10.648 -8.128 -1.653 1.00 0.73 C ATOM 1004 C SER A 67 11.127 -7.764 -0.248 1.00 0.73 C ATOM 1005 O SER A 67 11.588 -8.656 0.464 1.00 0.84 O ATOM 1006 CB SER A 67 11.787 -8.003 -2.665 1.00 0.97 C ATOM 1007 OG SER A 67 12.108 -6.649 -2.926 1.00 1.42 O ATOM 0 H SER A 67 9.620 -6.975 -3.052 1.00 0.63 H new ATOM 0 HA SER A 67 10.325 -9.164 -1.551 1.00 0.73 H new ATOM 0 HB2 SER A 67 12.669 -8.520 -2.286 1.00 0.97 H new ATOM 0 HB3 SER A 67 11.504 -8.496 -3.595 1.00 0.97 H new ATOM 0 HG SER A 67 12.841 -6.606 -3.575 1.00 1.42 H new ATOM 1013 N LEU A 68 10.989 -6.521 0.217 1.00 0.85 N ATOM 1014 CA LEU A 68 11.315 -6.164 1.606 1.00 0.94 C ATOM 1015 C LEU A 68 10.180 -6.578 2.556 1.00 0.95 C ATOM 1016 O LEU A 68 10.434 -7.186 3.602 1.00 1.03 O ATOM 1017 CB LEU A 68 11.628 -4.649 1.640 1.00 1.01 C ATOM 1018 CG LEU A 68 12.161 -4.014 2.944 1.00 1.06 C ATOM 1019 CD1 LEU A 68 11.127 -3.913 4.071 1.00 1.14 C ATOM 1020 CD2 LEU A 68 13.401 -4.724 3.482 1.00 0.98 C ATOM 0 H LEU A 68 10.653 -5.740 -0.347 1.00 0.85 H new ATOM 0 HA LEU A 68 12.193 -6.705 1.959 1.00 0.94 H new ATOM 0 HB2 LEU A 68 12.358 -4.448 0.856 1.00 1.01 H new ATOM 0 HB3 LEU A 68 10.715 -4.120 1.368 1.00 1.01 H new ATOM 0 HG LEU A 68 12.421 -3.000 2.639 1.00 1.06 H new ATOM 0 HD11 LEU A 68 11.587 -3.456 4.947 1.00 1.14 H new ATOM 0 HD12 LEU A 68 10.288 -3.301 3.741 1.00 1.14 H new ATOM 0 HD13 LEU A 68 10.770 -4.910 4.328 1.00 1.14 H new ATOM 0 HD21 LEU A 68 13.731 -4.235 4.399 1.00 0.98 H new ATOM 0 HD22 LEU A 68 13.161 -5.766 3.693 1.00 0.98 H new ATOM 0 HD23 LEU A 68 14.197 -4.678 2.739 1.00 0.98 H new ATOM 1032 N ILE A 69 8.939 -6.299 2.148 1.00 0.95 N ATOM 1033 CA ILE A 69 7.707 -6.488 2.925 1.00 1.02 C ATOM 1034 C ILE A 69 7.481 -7.964 3.276 1.00 1.05 C ATOM 1035 O ILE A 69 7.232 -8.295 4.437 1.00 1.19 O ATOM 1036 CB ILE A 69 6.482 -5.943 2.149 1.00 1.01 C ATOM 1037 CG1 ILE A 69 6.663 -4.525 1.554 1.00 1.10 C ATOM 1038 CG2 ILE A 69 5.248 -5.999 3.065 1.00 1.10 C ATOM 1039 CD1 ILE A 69 6.717 -3.403 2.590 1.00 1.20 C ATOM 0 H ILE A 69 8.755 -5.916 1.221 1.00 0.95 H new ATOM 0 HA ILE A 69 7.822 -5.929 3.854 1.00 1.02 H new ATOM 0 HB ILE A 69 6.353 -6.587 1.279 1.00 1.01 H new ATOM 0 HG12 ILE A 69 7.582 -4.506 0.968 1.00 1.10 H new ATOM 0 HG13 ILE A 69 5.842 -4.327 0.865 1.00 1.10 H new ATOM 0 HG21 ILE A 69 4.379 -5.617 2.529 1.00 1.10 H new ATOM 0 HG22 ILE A 69 5.065 -7.031 3.366 1.00 1.10 H new ATOM 0 HG23 ILE A 69 5.424 -5.389 3.951 1.00 1.10 H new ATOM 0 HD11 ILE A 69 6.845 -2.446 2.084 1.00 1.20 H new ATOM 0 HD12 ILE A 69 5.789 -3.390 3.161 1.00 1.20 H new ATOM 0 HD13 ILE A 69 7.556 -3.571 3.265 1.00 1.20 H new ATOM 1051 N THR A 70 7.584 -8.849 2.283 1.00 1.05 N ATOM 1052 CA THR A 70 7.233 -10.278 2.402 1.00 1.12 C ATOM 1053 C THR A 70 8.411 -11.232 2.165 1.00 1.11 C ATOM 1054 O THR A 70 8.260 -12.451 2.291 1.00 1.17 O ATOM 1055 CB THR A 70 6.090 -10.610 1.436 1.00 1.08 C ATOM 1056 OG1 THR A 70 6.528 -10.373 0.127 1.00 1.14 O ATOM 1057 CG2 THR A 70 4.851 -9.736 1.632 1.00 1.37 C ATOM 0 H THR A 70 7.919 -8.595 1.354 1.00 1.05 H new ATOM 0 HA THR A 70 6.923 -10.433 3.435 1.00 1.12 H new ATOM 0 HB THR A 70 5.821 -11.649 1.627 1.00 1.08 H new ATOM 0 HG1 THR A 70 5.807 -10.583 -0.502 1.00 1.14 H new ATOM 0 HG21 THR A 70 4.083 -10.027 0.915 1.00 1.37 H new ATOM 0 HG22 THR A 70 4.470 -9.867 2.645 1.00 1.37 H new ATOM 0 HG23 THR A 70 5.115 -8.690 1.476 1.00 1.37 H new ATOM 1065 N GLY A 71 9.591 -10.700 1.829 1.00 1.08 N ATOM 1066 CA GLY A 71 10.825 -11.464 1.608 1.00 1.08 C ATOM 1067 C GLY A 71 10.930 -12.132 0.225 1.00 1.03 C ATOM 1068 O GLY A 71 11.698 -13.082 0.054 1.00 1.13 O ATOM 0 H GLY A 71 9.718 -9.696 1.699 1.00 1.08 H new ATOM 0 HA2 GLY A 71 11.677 -10.797 1.740 1.00 1.08 H new ATOM 0 HA3 GLY A 71 10.901 -12.235 2.375 1.00 1.08 H new ATOM 1072 N GLU A 72 10.139 -11.666 -0.748 1.00 1.03 N ATOM 1073 CA GLU A 72 10.270 -12.020 -2.174 1.00 1.15 C ATOM 1074 C GLU A 72 11.653 -11.587 -2.734 1.00 1.35 C ATOM 1075 O GLU A 72 12.492 -11.020 -2.029 1.00 2.77 O ATOM 1076 CB GLU A 72 9.110 -11.384 -2.982 1.00 1.40 C ATOM 1077 CG GLU A 72 7.687 -11.798 -2.567 1.00 1.43 C ATOM 1078 CD GLU A 72 7.140 -13.091 -3.181 1.00 1.71 C ATOM 1079 OE1 GLU A 72 7.839 -13.762 -3.980 1.00 2.44 O ATOM 1080 OE2 GLU A 72 5.969 -13.439 -2.883 1.00 2.67 O ATOM 0 H GLU A 72 9.372 -11.018 -0.567 1.00 1.03 H new ATOM 0 HA GLU A 72 10.208 -13.104 -2.273 1.00 1.15 H new ATOM 0 HB2 GLU A 72 9.189 -10.300 -2.900 1.00 1.40 H new ATOM 0 HB3 GLU A 72 9.247 -11.635 -4.034 1.00 1.40 H new ATOM 0 HG2 GLU A 72 7.665 -11.901 -1.482 1.00 1.43 H new ATOM 0 HG3 GLU A 72 7.008 -10.985 -2.824 1.00 1.43 H new ATOM 1087 N ALA A 73 11.890 -11.835 -4.021 1.00 1.15 N ATOM 1088 CA ALA A 73 13.115 -11.459 -4.750 1.00 1.18 C ATOM 1089 C ALA A 73 12.863 -10.945 -6.190 1.00 1.11 C ATOM 1090 O ALA A 73 13.713 -10.250 -6.763 1.00 1.50 O ATOM 1091 CB ALA A 73 14.052 -12.667 -4.730 1.00 1.72 C ATOM 0 H ALA A 73 11.215 -12.320 -4.612 1.00 1.15 H new ATOM 0 HA ALA A 73 13.570 -10.606 -4.246 1.00 1.18 H new ATOM 0 HB1 ALA A 73 14.971 -12.423 -5.262 1.00 1.72 H new ATOM 0 HB2 ALA A 73 14.288 -12.927 -3.698 1.00 1.72 H new ATOM 0 HB3 ALA A 73 13.565 -13.513 -5.215 1.00 1.72 H new ATOM 1097 N MET A 74 11.698 -11.276 -6.761 1.00 1.08 N ATOM 1098 CA MET A 74 11.131 -10.714 -7.991 1.00 1.26 C ATOM 1099 C MET A 74 9.703 -10.178 -7.729 1.00 0.95 C ATOM 1100 O MET A 74 9.035 -10.660 -6.802 1.00 0.87 O ATOM 1101 CB MET A 74 11.185 -11.749 -9.130 1.00 1.93 C ATOM 1102 CG MET A 74 10.456 -13.056 -8.810 1.00 1.71 C ATOM 1103 SD MET A 74 10.514 -14.267 -10.155 1.00 2.54 S ATOM 1104 CE MET A 74 9.880 -15.694 -9.239 1.00 3.04 C ATOM 0 H MET A 74 11.091 -11.986 -6.351 1.00 1.08 H new ATOM 0 HA MET A 74 11.732 -9.864 -8.313 1.00 1.26 H new ATOM 0 HB2 MET A 74 10.749 -11.311 -10.028 1.00 1.93 H new ATOM 0 HB3 MET A 74 12.228 -11.971 -9.358 1.00 1.93 H new ATOM 0 HG2 MET A 74 10.895 -13.498 -7.916 1.00 1.71 H new ATOM 0 HG3 MET A 74 9.415 -12.834 -8.577 1.00 1.71 H new ATOM 0 HE1 MET A 74 9.837 -16.560 -9.899 1.00 3.04 H new ATOM 0 HE2 MET A 74 10.541 -15.910 -8.400 1.00 3.04 H new ATOM 0 HE3 MET A 74 8.880 -15.472 -8.866 1.00 3.04 H new ATOM 1114 N PRO A 75 9.216 -9.181 -8.495 1.00 1.06 N ATOM 1115 CA PRO A 75 7.923 -8.535 -8.247 1.00 1.03 C ATOM 1116 C PRO A 75 6.706 -9.417 -8.586 1.00 0.89 C ATOM 1117 O PRO A 75 6.821 -10.455 -9.246 1.00 0.90 O ATOM 1118 CB PRO A 75 7.974 -7.224 -9.035 1.00 1.50 C ATOM 1119 CG PRO A 75 8.894 -7.558 -10.206 1.00 1.67 C ATOM 1120 CD PRO A 75 9.927 -8.475 -9.554 1.00 1.46 C ATOM 0 HA PRO A 75 7.776 -8.351 -7.183 1.00 1.03 H new ATOM 0 HB2 PRO A 75 6.984 -6.919 -9.375 1.00 1.50 H new ATOM 0 HB3 PRO A 75 8.370 -6.407 -8.432 1.00 1.50 H new ATOM 0 HG2 PRO A 75 8.359 -8.057 -11.014 1.00 1.67 H new ATOM 0 HG3 PRO A 75 9.353 -6.665 -10.631 1.00 1.67 H new ATOM 0 HD2 PRO A 75 10.343 -9.174 -10.279 1.00 1.46 H new ATOM 0 HD3 PRO A 75 10.761 -7.901 -9.150 1.00 1.46 H new ATOM 1128 N VAL A 76 5.533 -8.994 -8.108 1.00 0.83 N ATOM 1129 CA VAL A 76 4.263 -9.745 -8.076 1.00 0.77 C ATOM 1130 C VAL A 76 3.180 -9.089 -8.942 1.00 0.72 C ATOM 1131 O VAL A 76 2.947 -7.883 -8.841 1.00 0.73 O ATOM 1132 CB VAL A 76 3.789 -9.869 -6.610 1.00 0.81 C ATOM 1133 CG1 VAL A 76 2.432 -10.566 -6.469 1.00 0.95 C ATOM 1134 CG2 VAL A 76 4.798 -10.662 -5.765 1.00 0.78 C ATOM 0 H VAL A 76 5.432 -8.062 -7.707 1.00 0.83 H new ATOM 0 HA VAL A 76 4.439 -10.736 -8.495 1.00 0.77 H new ATOM 0 HB VAL A 76 3.700 -8.842 -6.257 1.00 0.81 H new ATOM 0 HG11 VAL A 76 2.158 -10.620 -5.415 1.00 0.95 H new ATOM 0 HG12 VAL A 76 1.674 -10.001 -7.012 1.00 0.95 H new ATOM 0 HG13 VAL A 76 2.496 -11.574 -6.879 1.00 0.95 H new ATOM 0 HG21 VAL A 76 4.437 -10.732 -4.739 1.00 0.78 H new ATOM 0 HG22 VAL A 76 4.912 -11.664 -6.179 1.00 0.78 H new ATOM 0 HG23 VAL A 76 5.762 -10.153 -5.777 1.00 0.78 H new ATOM 1144 N ALA A 77 2.475 -9.874 -9.763 1.00 0.70 N ATOM 1145 CA ALA A 77 1.393 -9.402 -10.632 1.00 0.67 C ATOM 1146 C ALA A 77 0.050 -9.209 -9.896 1.00 0.63 C ATOM 1147 O ALA A 77 -0.343 -10.028 -9.060 1.00 0.70 O ATOM 1148 CB ALA A 77 1.239 -10.391 -11.792 1.00 0.73 C ATOM 0 H ALA A 77 2.645 -10.877 -9.843 1.00 0.70 H new ATOM 0 HA ALA A 77 1.666 -8.413 -10.999 1.00 0.67 H new ATOM 0 HB1 ALA A 77 0.438 -10.057 -12.451 1.00 0.73 H new ATOM 0 HB2 ALA A 77 2.172 -10.442 -12.353 1.00 0.73 H new ATOM 0 HB3 ALA A 77 0.997 -11.378 -11.399 1.00 0.73 H new ATOM 1154 N LYS A 78 -0.676 -8.142 -10.257 1.00 0.59 N ATOM 1155 CA LYS A 78 -2.002 -7.760 -9.733 1.00 0.60 C ATOM 1156 C LYS A 78 -3.019 -7.567 -10.869 1.00 0.64 C ATOM 1157 O LYS A 78 -2.648 -7.146 -11.969 1.00 0.72 O ATOM 1158 CB LYS A 78 -1.902 -6.465 -8.903 1.00 0.65 C ATOM 1159 CG LYS A 78 -0.791 -6.415 -7.837 1.00 0.66 C ATOM 1160 CD LYS A 78 -0.952 -7.434 -6.697 1.00 0.62 C ATOM 1161 CE LYS A 78 0.278 -7.356 -5.784 1.00 0.70 C ATOM 1162 NZ LYS A 78 0.099 -8.142 -4.544 1.00 0.82 N ATOM 0 H LYS A 78 -0.339 -7.484 -10.960 1.00 0.59 H new ATOM 0 HA LYS A 78 -2.349 -8.572 -9.094 1.00 0.60 H new ATOM 0 HB2 LYS A 78 -1.754 -5.631 -9.589 1.00 0.65 H new ATOM 0 HB3 LYS A 78 -2.859 -6.304 -8.406 1.00 0.65 H new ATOM 0 HG2 LYS A 78 0.170 -6.583 -8.324 1.00 0.66 H new ATOM 0 HG3 LYS A 78 -0.761 -5.413 -7.409 1.00 0.66 H new ATOM 0 HD2 LYS A 78 -1.858 -7.223 -6.128 1.00 0.62 H new ATOM 0 HD3 LYS A 78 -1.057 -8.440 -7.103 1.00 0.62 H new ATOM 0 HE2 LYS A 78 1.152 -7.722 -6.322 1.00 0.70 H new ATOM 0 HE3 LYS A 78 0.474 -6.315 -5.528 1.00 0.70 H new ATOM 0 HZ1 LYS A 78 0.854 -7.904 -3.870 1.00 0.82 H new ATOM 0 HZ2 LYS A 78 -0.825 -7.919 -4.122 1.00 0.82 H new ATOM 0 HZ3 LYS A 78 0.141 -9.157 -4.767 1.00 0.82 H new ATOM 1176 N LYS A 79 -4.296 -7.832 -10.579 1.00 0.63 N ATOM 1177 CA LYS A 79 -5.463 -7.729 -11.478 1.00 0.68 C ATOM 1178 C LYS A 79 -6.706 -7.247 -10.690 1.00 0.65 C ATOM 1179 O LYS A 79 -6.596 -7.101 -9.466 1.00 0.65 O ATOM 1180 CB LYS A 79 -5.662 -9.118 -12.130 1.00 0.80 C ATOM 1181 CG LYS A 79 -6.037 -10.245 -11.149 1.00 2.09 C ATOM 1182 CD LYS A 79 -6.683 -11.440 -11.862 1.00 2.36 C ATOM 1183 CE LYS A 79 -5.720 -12.143 -12.828 1.00 1.94 C ATOM 1184 NZ LYS A 79 -6.432 -13.143 -13.656 1.00 2.24 N ATOM 0 H LYS A 79 -4.567 -8.146 -9.647 1.00 0.63 H new ATOM 0 HA LYS A 79 -5.304 -6.989 -12.263 1.00 0.68 H new ATOM 0 HB2 LYS A 79 -6.442 -9.040 -12.887 1.00 0.80 H new ATOM 0 HB3 LYS A 79 -4.743 -9.396 -12.647 1.00 0.80 H new ATOM 0 HG2 LYS A 79 -5.143 -10.578 -10.622 1.00 2.09 H new ATOM 0 HG3 LYS A 79 -6.725 -9.857 -10.397 1.00 2.09 H new ATOM 0 HD2 LYS A 79 -7.033 -12.156 -11.118 1.00 2.36 H new ATOM 0 HD3 LYS A 79 -7.560 -11.099 -12.413 1.00 2.36 H new ATOM 0 HE2 LYS A 79 -5.244 -11.405 -13.473 1.00 1.94 H new ATOM 0 HE3 LYS A 79 -4.926 -12.632 -12.263 1.00 1.94 H new ATOM 0 HZ1 LYS A 79 -5.758 -13.604 -14.300 1.00 2.24 H new ATOM 0 HZ2 LYS A 79 -6.866 -13.859 -13.039 1.00 2.24 H new ATOM 0 HZ3 LYS A 79 -7.173 -12.670 -14.211 1.00 2.24 H new ATOM 1198 N PRO A 80 -7.887 -7.000 -11.296 1.00 0.68 N ATOM 1199 CA PRO A 80 -9.110 -6.808 -10.514 1.00 0.70 C ATOM 1200 C PRO A 80 -9.420 -8.066 -9.682 1.00 0.71 C ATOM 1201 O PRO A 80 -9.414 -9.190 -10.191 1.00 0.84 O ATOM 1202 CB PRO A 80 -10.218 -6.491 -11.525 1.00 0.76 C ATOM 1203 CG PRO A 80 -9.698 -7.089 -12.832 1.00 0.80 C ATOM 1204 CD PRO A 80 -8.195 -6.855 -12.716 1.00 0.74 C ATOM 0 HA PRO A 80 -9.012 -5.993 -9.796 1.00 0.70 H new ATOM 0 HB2 PRO A 80 -11.168 -6.937 -11.231 1.00 0.76 H new ATOM 0 HB3 PRO A 80 -10.384 -5.417 -11.614 1.00 0.76 H new ATOM 0 HG2 PRO A 80 -9.940 -8.148 -12.920 1.00 0.80 H new ATOM 0 HG3 PRO A 80 -10.122 -6.592 -13.705 1.00 0.80 H new ATOM 0 HD2 PRO A 80 -7.638 -7.576 -13.314 1.00 0.74 H new ATOM 0 HD3 PRO A 80 -7.923 -5.863 -13.077 1.00 0.74 H new ATOM 1212 N GLY A 81 -9.691 -7.871 -8.392 1.00 0.69 N ATOM 1213 CA GLY A 81 -9.842 -8.932 -7.397 1.00 0.72 C ATOM 1214 C GLY A 81 -8.525 -9.434 -6.785 1.00 0.69 C ATOM 1215 O GLY A 81 -8.477 -10.600 -6.387 1.00 0.84 O ATOM 0 H GLY A 81 -9.816 -6.939 -7.998 1.00 0.69 H new ATOM 0 HA2 GLY A 81 -10.484 -8.569 -6.594 1.00 0.72 H new ATOM 0 HA3 GLY A 81 -10.356 -9.775 -7.860 1.00 0.72 H new ATOM 1219 N SER A 82 -7.474 -8.607 -6.693 1.00 0.60 N ATOM 1220 CA SER A 82 -6.191 -8.953 -6.024 1.00 0.57 C ATOM 1221 C SER A 82 -6.041 -8.192 -4.692 1.00 0.64 C ATOM 1222 O SER A 82 -6.850 -7.318 -4.394 1.00 0.87 O ATOM 1223 CB SER A 82 -4.982 -8.651 -6.929 1.00 0.51 C ATOM 1224 OG SER A 82 -4.932 -9.437 -8.107 1.00 1.58 O ATOM 0 H SER A 82 -7.481 -7.665 -7.083 1.00 0.60 H new ATOM 0 HA SER A 82 -6.214 -10.024 -5.823 1.00 0.57 H new ATOM 0 HB2 SER A 82 -5.005 -7.598 -7.208 1.00 0.51 H new ATOM 0 HB3 SER A 82 -4.066 -8.810 -6.359 1.00 0.51 H new ATOM 0 HG SER A 82 -4.005 -9.701 -8.285 1.00 1.58 H new ATOM 1230 N THR A 83 -5.006 -8.460 -3.888 1.00 0.59 N ATOM 1231 CA THR A 83 -4.704 -7.722 -2.635 1.00 0.61 C ATOM 1232 C THR A 83 -3.273 -7.171 -2.599 1.00 0.55 C ATOM 1233 O THR A 83 -2.390 -7.644 -3.325 1.00 0.58 O ATOM 1234 CB THR A 83 -4.988 -8.573 -1.380 1.00 0.73 C ATOM 1235 OG1 THR A 83 -4.357 -9.831 -1.477 1.00 0.82 O ATOM 1236 CG2 THR A 83 -6.484 -8.824 -1.195 1.00 0.89 C ATOM 0 H THR A 83 -4.338 -9.206 -4.084 1.00 0.59 H new ATOM 0 HA THR A 83 -5.380 -6.867 -2.627 1.00 0.61 H new ATOM 0 HB THR A 83 -4.600 -8.010 -0.531 1.00 0.73 H new ATOM 0 HG1 THR A 83 -4.547 -10.355 -0.671 1.00 0.82 H new ATOM 0 HG21 THR A 83 -6.644 -9.427 -0.301 1.00 0.89 H new ATOM 0 HG22 THR A 83 -7.002 -7.871 -1.088 1.00 0.89 H new ATOM 0 HG23 THR A 83 -6.874 -9.354 -2.064 1.00 0.89 H new ATOM 1244 N VAL A 84 -3.048 -6.124 -1.796 1.00 0.51 N ATOM 1245 CA VAL A 84 -1.752 -5.438 -1.616 1.00 0.49 C ATOM 1246 C VAL A 84 -1.489 -5.046 -0.157 1.00 0.53 C ATOM 1247 O VAL A 84 -2.412 -4.662 0.564 1.00 0.58 O ATOM 1248 CB VAL A 84 -1.631 -4.176 -2.503 1.00 0.50 C ATOM 1249 CG1 VAL A 84 -1.356 -4.544 -3.965 1.00 0.54 C ATOM 1250 CG2 VAL A 84 -2.865 -3.263 -2.450 1.00 0.49 C ATOM 0 H VAL A 84 -3.789 -5.711 -1.230 1.00 0.51 H new ATOM 0 HA VAL A 84 -1.000 -6.165 -1.923 1.00 0.49 H new ATOM 0 HB VAL A 84 -0.789 -3.623 -2.088 1.00 0.50 H new ATOM 0 HG11 VAL A 84 -1.277 -3.634 -4.560 1.00 0.54 H new ATOM 0 HG12 VAL A 84 -0.422 -5.103 -4.030 1.00 0.54 H new ATOM 0 HG13 VAL A 84 -2.173 -5.157 -4.346 1.00 0.54 H new ATOM 0 HG21 VAL A 84 -2.707 -2.400 -3.096 1.00 0.49 H new ATOM 0 HG22 VAL A 84 -3.741 -3.815 -2.790 1.00 0.49 H new ATOM 0 HG23 VAL A 84 -3.024 -2.925 -1.426 1.00 0.49 H new ATOM 1260 N ILE A 85 -0.210 -5.093 0.234 1.00 0.68 N ATOM 1261 CA ILE A 85 0.368 -4.591 1.497 1.00 0.68 C ATOM 1262 C ILE A 85 0.894 -3.151 1.370 1.00 0.72 C ATOM 1263 O ILE A 85 1.331 -2.719 0.296 1.00 0.99 O ATOM 1264 CB ILE A 85 1.487 -5.518 2.050 1.00 0.64 C ATOM 1265 CG1 ILE A 85 2.285 -6.313 0.992 1.00 0.87 C ATOM 1266 CG2 ILE A 85 0.913 -6.552 3.021 1.00 0.98 C ATOM 1267 CD1 ILE A 85 3.014 -5.433 -0.019 1.00 0.68 C ATOM 0 H ILE A 85 0.503 -5.512 -0.363 1.00 0.68 H new ATOM 0 HA ILE A 85 -0.455 -4.591 2.212 1.00 0.68 H new ATOM 0 HB ILE A 85 2.170 -4.817 2.529 1.00 0.64 H new ATOM 0 HG12 ILE A 85 3.013 -6.946 1.500 1.00 0.87 H new ATOM 0 HG13 ILE A 85 1.603 -6.975 0.458 1.00 0.87 H new ATOM 0 HG21 ILE A 85 1.717 -7.187 3.393 1.00 0.98 H new ATOM 0 HG22 ILE A 85 0.438 -6.041 3.858 1.00 0.98 H new ATOM 0 HG23 ILE A 85 0.175 -7.166 2.505 1.00 0.98 H new ATOM 0 HD11 ILE A 85 3.551 -6.062 -0.729 1.00 0.68 H new ATOM 0 HD12 ILE A 85 2.291 -4.818 -0.555 1.00 0.68 H new ATOM 0 HD13 ILE A 85 3.722 -4.789 0.503 1.00 0.68 H new ATOM 1279 N ALA A 86 0.897 -2.421 2.488 1.00 0.73 N ATOM 1280 CA ALA A 86 1.419 -1.058 2.566 1.00 0.78 C ATOM 1281 C ALA A 86 2.946 -1.006 2.347 1.00 0.69 C ATOM 1282 O ALA A 86 3.656 -1.978 2.588 1.00 0.59 O ATOM 1283 CB ALA A 86 1.026 -0.469 3.926 1.00 0.90 C ATOM 0 H ALA A 86 0.532 -2.766 3.375 1.00 0.73 H new ATOM 0 HA ALA A 86 0.983 -0.462 1.764 1.00 0.78 H new ATOM 0 HB1 ALA A 86 1.406 0.549 4.005 1.00 0.90 H new ATOM 0 HB2 ALA A 86 -0.060 -0.459 4.018 1.00 0.90 H new ATOM 0 HB3 ALA A 86 1.452 -1.078 4.723 1.00 0.90 H new ATOM 1289 N GLY A 87 3.460 0.140 1.895 1.00 0.81 N ATOM 1290 CA GLY A 87 4.896 0.390 1.701 1.00 0.84 C ATOM 1291 C GLY A 87 5.528 -0.293 0.479 1.00 0.82 C ATOM 1292 O GLY A 87 6.711 -0.090 0.220 1.00 0.95 O ATOM 0 H GLY A 87 2.879 0.941 1.647 1.00 0.81 H new ATOM 0 HA2 GLY A 87 5.051 1.465 1.615 1.00 0.84 H new ATOM 0 HA3 GLY A 87 5.428 0.062 2.594 1.00 0.84 H new ATOM 1296 N SER A 88 4.768 -1.071 -0.294 1.00 0.73 N ATOM 1297 CA SER A 88 5.232 -1.643 -1.564 1.00 0.73 C ATOM 1298 C SER A 88 5.242 -0.610 -2.699 1.00 0.72 C ATOM 1299 O SER A 88 4.621 0.453 -2.591 1.00 0.75 O ATOM 1300 CB SER A 88 4.400 -2.876 -1.924 1.00 0.73 C ATOM 1301 OG SER A 88 3.014 -2.578 -2.002 1.00 1.61 O ATOM 0 H SER A 88 3.809 -1.324 -0.058 1.00 0.73 H new ATOM 0 HA SER A 88 6.268 -1.955 -1.431 1.00 0.73 H new ATOM 0 HB2 SER A 88 4.739 -3.276 -2.880 1.00 0.73 H new ATOM 0 HB3 SER A 88 4.562 -3.653 -1.177 1.00 0.73 H new ATOM 0 HG SER A 88 2.607 -2.683 -1.117 1.00 1.61 H new ATOM 1307 N ILE A 89 5.965 -0.910 -3.787 1.00 0.70 N ATOM 1308 CA ILE A 89 6.191 0.003 -4.924 1.00 0.69 C ATOM 1309 C ILE A 89 5.454 -0.487 -6.182 1.00 0.69 C ATOM 1310 O ILE A 89 5.509 -1.677 -6.493 1.00 0.74 O ATOM 1311 CB ILE A 89 7.701 0.165 -5.252 1.00 0.69 C ATOM 1312 CG1 ILE A 89 8.711 -0.157 -4.121 1.00 0.67 C ATOM 1313 CG2 ILE A 89 7.943 1.573 -5.823 1.00 0.77 C ATOM 1314 CD1 ILE A 89 8.693 0.775 -2.907 1.00 0.74 C ATOM 0 H ILE A 89 6.421 -1.815 -3.907 1.00 0.70 H new ATOM 0 HA ILE A 89 5.796 0.973 -4.623 1.00 0.69 H new ATOM 0 HB ILE A 89 7.911 -0.613 -5.986 1.00 0.69 H new ATOM 0 HG12 ILE A 89 8.523 -1.173 -3.774 1.00 0.67 H new ATOM 0 HG13 ILE A 89 9.715 -0.145 -4.546 1.00 0.67 H new ATOM 0 HG21 ILE A 89 9.001 1.694 -6.056 1.00 0.77 H new ATOM 0 HG22 ILE A 89 7.354 1.703 -6.731 1.00 0.77 H new ATOM 0 HG23 ILE A 89 7.645 2.320 -5.087 1.00 0.77 H new ATOM 0 HD11 ILE A 89 9.442 0.448 -2.186 1.00 0.74 H new ATOM 0 HD12 ILE A 89 8.917 1.793 -3.226 1.00 0.74 H new ATOM 0 HD13 ILE A 89 7.707 0.749 -2.443 1.00 0.74 H new ATOM 1326 N ASN A 90 4.817 0.405 -6.946 1.00 0.68 N ATOM 1327 CA ASN A 90 4.255 0.106 -8.275 1.00 0.67 C ATOM 1328 C ASN A 90 5.331 0.225 -9.374 1.00 0.77 C ATOM 1329 O ASN A 90 6.071 1.212 -9.411 1.00 0.87 O ATOM 1330 CB ASN A 90 3.055 1.047 -8.507 1.00 0.79 C ATOM 1331 CG ASN A 90 2.319 0.842 -9.827 1.00 1.08 C ATOM 1332 OD1 ASN A 90 2.885 0.658 -10.895 1.00 2.52 O ATOM 1333 ND2 ASN A 90 1.010 0.900 -9.802 1.00 0.64 N ATOM 0 H ASN A 90 4.673 1.373 -6.657 1.00 0.68 H new ATOM 0 HA ASN A 90 3.906 -0.926 -8.320 1.00 0.67 H new ATOM 0 HB2 ASN A 90 2.346 0.915 -7.689 1.00 0.79 H new ATOM 0 HB3 ASN A 90 3.407 2.078 -8.461 1.00 0.79 H new ATOM 0 HD21 ASN A 90 0.478 0.792 -10.666 1.00 0.64 H new ATOM 0 HD22 ASN A 90 0.523 1.053 -8.919 1.00 0.64 H new ATOM 1340 N GLN A 91 5.402 -0.741 -10.299 1.00 0.91 N ATOM 1341 CA GLN A 91 6.375 -0.720 -11.398 1.00 1.21 C ATOM 1342 C GLN A 91 5.847 -1.244 -12.752 1.00 1.62 C ATOM 1343 O GLN A 91 6.459 -2.109 -13.385 1.00 3.06 O ATOM 1344 CB GLN A 91 7.663 -1.427 -10.935 1.00 1.89 C ATOM 1345 CG GLN A 91 8.877 -0.769 -11.610 1.00 2.43 C ATOM 1346 CD GLN A 91 9.787 -0.090 -10.588 1.00 3.11 C ATOM 1347 OE1 GLN A 91 10.938 -0.471 -10.389 1.00 3.74 O ATOM 1348 NE2 GLN A 91 9.301 0.902 -9.870 1.00 3.64 N ATOM 0 H GLN A 91 4.789 -1.556 -10.307 1.00 0.91 H new ATOM 0 HA GLN A 91 6.592 0.325 -11.620 1.00 1.21 H new ATOM 0 HB2 GLN A 91 7.757 -1.363 -9.851 1.00 1.89 H new ATOM 0 HB3 GLN A 91 7.621 -2.486 -11.189 1.00 1.89 H new ATOM 0 HG2 GLN A 91 9.443 -1.523 -12.158 1.00 2.43 H new ATOM 0 HG3 GLN A 91 8.535 -0.034 -12.339 1.00 2.43 H new ATOM 0 HE21 GLN A 91 8.347 1.226 -10.027 1.00 3.64 H new ATOM 0 HE22 GLN A 91 9.879 1.346 -9.157 1.00 3.64 H new ATOM 1357 N ASN A 92 4.696 -0.724 -13.194 1.00 1.19 N ATOM 1358 CA ASN A 92 4.138 -0.961 -14.543 1.00 1.43 C ATOM 1359 C ASN A 92 3.024 0.025 -14.976 1.00 1.35 C ATOM 1360 O ASN A 92 2.950 0.360 -16.157 1.00 2.23 O ATOM 1361 CB ASN A 92 3.603 -2.407 -14.626 1.00 2.27 C ATOM 1362 CG ASN A 92 3.152 -2.808 -16.020 1.00 2.77 C ATOM 1363 OD1 ASN A 92 3.938 -2.922 -16.952 1.00 3.38 O ATOM 1364 ND2 ASN A 92 1.884 -3.067 -16.216 1.00 2.90 N ATOM 0 H ASN A 92 4.112 -0.116 -12.620 1.00 1.19 H new ATOM 0 HA ASN A 92 4.962 -0.793 -15.236 1.00 1.43 H new ATOM 0 HB2 ASN A 92 4.382 -3.093 -14.293 1.00 2.27 H new ATOM 0 HB3 ASN A 92 2.766 -2.516 -13.937 1.00 2.27 H new ATOM 0 HD21 ASN A 92 1.560 -3.360 -17.138 1.00 2.90 H new ATOM 0 HD22 ASN A 92 1.220 -2.976 -15.447 1.00 2.90 H new ATOM 1371 N GLY A 93 2.140 0.478 -14.079 1.00 1.46 N ATOM 1372 CA GLY A 93 0.959 1.274 -14.476 1.00 1.86 C ATOM 1373 C GLY A 93 -0.139 1.396 -13.414 1.00 1.46 C ATOM 1374 O GLY A 93 -0.087 0.720 -12.383 1.00 1.97 O ATOM 0 H GLY A 93 2.214 0.311 -13.076 1.00 1.46 H new ATOM 0 HA2 GLY A 93 1.292 2.276 -14.747 1.00 1.86 H new ATOM 0 HA3 GLY A 93 0.526 0.829 -15.372 1.00 1.86 H new ATOM 1378 N SER A 94 -1.122 2.273 -13.647 1.00 1.13 N ATOM 1379 CA SER A 94 -2.141 2.641 -12.648 1.00 0.92 C ATOM 1380 C SER A 94 -3.142 1.526 -12.318 1.00 0.79 C ATOM 1381 O SER A 94 -3.672 0.867 -13.210 1.00 1.07 O ATOM 1382 CB SER A 94 -2.946 3.876 -13.079 1.00 1.24 C ATOM 1383 OG SER A 94 -2.136 5.030 -13.189 1.00 1.94 O ATOM 0 H SER A 94 -1.237 2.753 -14.540 1.00 1.13 H new ATOM 0 HA SER A 94 -1.556 2.849 -11.752 1.00 0.92 H new ATOM 0 HB2 SER A 94 -3.426 3.678 -14.037 1.00 1.24 H new ATOM 0 HB3 SER A 94 -3.741 4.060 -12.356 1.00 1.24 H new ATOM 0 HG SER A 94 -2.687 5.791 -13.467 1.00 1.94 H new ATOM 1389 N LEU A 95 -3.455 1.363 -11.030 1.00 0.64 N ATOM 1390 CA LEU A 95 -4.508 0.487 -10.487 1.00 0.55 C ATOM 1391 C LEU A 95 -5.447 1.283 -9.572 1.00 0.51 C ATOM 1392 O LEU A 95 -5.051 2.305 -9.008 1.00 0.54 O ATOM 1393 CB LEU A 95 -3.863 -0.616 -9.631 1.00 0.52 C ATOM 1394 CG LEU A 95 -2.981 -1.668 -10.292 1.00 0.75 C ATOM 1395 CD1 LEU A 95 -2.297 -2.475 -9.181 1.00 0.70 C ATOM 1396 CD2 LEU A 95 -3.799 -2.595 -11.172 1.00 1.08 C ATOM 0 H LEU A 95 -2.956 1.864 -10.294 1.00 0.64 H new ATOM 0 HA LEU A 95 -5.064 0.064 -11.324 1.00 0.55 H new ATOM 0 HB2 LEU A 95 -3.264 -0.124 -8.864 1.00 0.52 H new ATOM 0 HB3 LEU A 95 -4.668 -1.142 -9.118 1.00 0.52 H new ATOM 0 HG LEU A 95 -2.243 -1.178 -10.927 1.00 0.75 H new ATOM 0 HD11 LEU A 95 -1.658 -3.237 -9.626 1.00 0.70 H new ATOM 0 HD12 LEU A 95 -1.692 -1.808 -8.566 1.00 0.70 H new ATOM 0 HD13 LEU A 95 -3.054 -2.954 -8.560 1.00 0.70 H new ATOM 0 HD21 LEU A 95 -3.143 -3.335 -11.630 1.00 1.08 H new ATOM 0 HD22 LEU A 95 -4.551 -3.102 -10.567 1.00 1.08 H new ATOM 0 HD23 LEU A 95 -4.292 -2.015 -11.952 1.00 1.08 H new ATOM 1408 N LEU A 96 -6.653 0.762 -9.337 1.00 0.52 N ATOM 1409 CA LEU A 96 -7.615 1.317 -8.377 1.00 0.54 C ATOM 1410 C LEU A 96 -7.843 0.342 -7.206 1.00 0.52 C ATOM 1411 O LEU A 96 -8.140 -0.835 -7.424 1.00 0.54 O ATOM 1412 CB LEU A 96 -8.894 1.659 -9.154 1.00 0.78 C ATOM 1413 CG LEU A 96 -9.945 2.454 -8.368 1.00 1.61 C ATOM 1414 CD1 LEU A 96 -9.506 3.874 -8.035 1.00 2.77 C ATOM 1415 CD2 LEU A 96 -11.226 2.553 -9.181 1.00 2.09 C ATOM 0 H LEU A 96 -6.996 -0.071 -9.815 1.00 0.52 H new ATOM 0 HA LEU A 96 -7.238 2.229 -7.914 1.00 0.54 H new ATOM 0 HB2 LEU A 96 -8.619 2.230 -10.041 1.00 0.78 H new ATOM 0 HB3 LEU A 96 -9.348 0.731 -9.500 1.00 0.78 H new ATOM 0 HG LEU A 96 -10.092 1.913 -7.433 1.00 1.61 H new ATOM 0 HD11 LEU A 96 -10.296 4.378 -7.479 1.00 2.77 H new ATOM 0 HD12 LEU A 96 -8.600 3.842 -7.430 1.00 2.77 H new ATOM 0 HD13 LEU A 96 -9.307 4.419 -8.958 1.00 2.77 H new ATOM 0 HD21 LEU A 96 -11.970 3.118 -8.620 1.00 2.09 H new ATOM 0 HD22 LEU A 96 -11.020 3.060 -10.124 1.00 2.09 H new ATOM 0 HD23 LEU A 96 -11.607 1.552 -9.383 1.00 2.09 H new ATOM 1427 N ILE A 97 -7.673 0.820 -5.966 1.00 0.54 N ATOM 1428 CA ILE A 97 -7.658 0.000 -4.743 1.00 0.57 C ATOM 1429 C ILE A 97 -8.629 0.550 -3.693 1.00 0.47 C ATOM 1430 O ILE A 97 -8.600 1.741 -3.386 1.00 0.43 O ATOM 1431 CB ILE A 97 -6.217 -0.067 -4.167 1.00 0.66 C ATOM 1432 CG1 ILE A 97 -5.212 -0.676 -5.173 1.00 1.10 C ATOM 1433 CG2 ILE A 97 -6.135 -0.893 -2.867 1.00 0.65 C ATOM 1434 CD1 ILE A 97 -4.476 0.369 -6.015 1.00 1.14 C ATOM 0 H ILE A 97 -7.538 1.814 -5.779 1.00 0.54 H new ATOM 0 HA ILE A 97 -7.985 -1.007 -5.003 1.00 0.57 H new ATOM 0 HB ILE A 97 -5.954 0.970 -3.958 1.00 0.66 H new ATOM 0 HG12 ILE A 97 -4.480 -1.271 -4.627 1.00 1.10 H new ATOM 0 HG13 ILE A 97 -5.744 -1.357 -5.838 1.00 1.10 H new ATOM 0 HG21 ILE A 97 -5.106 -0.906 -2.509 1.00 0.65 H new ATOM 0 HG22 ILE A 97 -6.777 -0.444 -2.109 1.00 0.65 H new ATOM 0 HG23 ILE A 97 -6.464 -1.913 -3.063 1.00 0.65 H new ATOM 0 HD11 ILE A 97 -3.789 -0.132 -6.697 1.00 1.14 H new ATOM 0 HD12 ILE A 97 -5.199 0.949 -6.589 1.00 1.14 H new ATOM 0 HD13 ILE A 97 -3.915 1.035 -5.359 1.00 1.14 H new ATOM 1446 N CYS A 98 -9.455 -0.310 -3.094 1.00 0.49 N ATOM 1447 CA CYS A 98 -10.240 0.039 -1.908 1.00 0.47 C ATOM 1448 C CYS A 98 -9.385 -0.230 -0.660 1.00 0.46 C ATOM 1449 O CYS A 98 -8.920 -1.356 -0.450 1.00 0.55 O ATOM 1450 CB CYS A 98 -11.572 -0.723 -1.917 1.00 0.62 C ATOM 1451 SG CYS A 98 -12.606 -0.172 -0.526 1.00 3.32 S ATOM 0 H CYS A 98 -9.599 -1.267 -3.417 1.00 0.49 H new ATOM 0 HA CYS A 98 -10.501 1.097 -1.904 1.00 0.47 H new ATOM 0 HB2 CYS A 98 -12.093 -0.552 -2.859 1.00 0.62 H new ATOM 0 HB3 CYS A 98 -11.389 -1.795 -1.844 1.00 0.62 H new ATOM 0 HG CYS A 98 -13.733 -0.819 -0.540 1.00 3.32 H new ATOM 1457 N ALA A 99 -9.149 0.802 0.150 1.00 0.48 N ATOM 1458 CA ALA A 99 -8.329 0.725 1.356 1.00 0.59 C ATOM 1459 C ALA A 99 -9.145 0.166 2.529 1.00 0.71 C ATOM 1460 O ALA A 99 -10.241 0.656 2.799 1.00 0.83 O ATOM 1461 CB ALA A 99 -7.789 2.125 1.666 1.00 0.65 C ATOM 0 H ALA A 99 -9.531 1.733 -0.018 1.00 0.48 H new ATOM 0 HA ALA A 99 -7.492 0.045 1.197 1.00 0.59 H new ATOM 0 HB1 ALA A 99 -7.173 2.087 2.565 1.00 0.65 H new ATOM 0 HB2 ALA A 99 -7.187 2.476 0.828 1.00 0.65 H new ATOM 0 HB3 ALA A 99 -8.622 2.809 1.826 1.00 0.65 H new ATOM 1467 N THR A 100 -8.615 -0.834 3.241 1.00 0.80 N ATOM 1468 CA THR A 100 -9.352 -1.513 4.330 1.00 0.90 C ATOM 1469 C THR A 100 -8.673 -1.437 5.703 1.00 0.88 C ATOM 1470 O THR A 100 -9.175 -2.024 6.661 1.00 0.96 O ATOM 1471 CB THR A 100 -9.783 -2.939 3.939 1.00 1.01 C ATOM 1472 OG1 THR A 100 -8.680 -3.753 3.622 1.00 2.13 O ATOM 1473 CG2 THR A 100 -10.703 -2.956 2.718 1.00 1.63 C ATOM 0 H THR A 100 -7.675 -1.198 3.087 1.00 0.80 H new ATOM 0 HA THR A 100 -10.267 -0.935 4.461 1.00 0.90 H new ATOM 0 HB THR A 100 -10.308 -3.321 4.814 1.00 1.01 H new ATOM 0 HG1 THR A 100 -8.994 -4.650 3.381 1.00 2.13 H new ATOM 0 HG21 THR A 100 -10.978 -3.984 2.484 1.00 1.63 H new ATOM 0 HG22 THR A 100 -11.603 -2.380 2.933 1.00 1.63 H new ATOM 0 HG23 THR A 100 -10.185 -2.516 1.866 1.00 1.63 H new ATOM 1481 N HIS A 101 -7.612 -0.638 5.848 1.00 0.80 N ATOM 1482 CA HIS A 101 -6.995 -0.264 7.130 1.00 0.79 C ATOM 1483 C HIS A 101 -6.374 1.142 7.070 1.00 0.76 C ATOM 1484 O HIS A 101 -5.988 1.605 5.996 1.00 0.71 O ATOM 1485 CB HIS A 101 -5.856 -1.241 7.476 1.00 0.95 C ATOM 1486 CG HIS A 101 -6.262 -2.607 7.960 1.00 1.36 C ATOM 1487 ND1 HIS A 101 -5.661 -3.780 7.585 1.00 2.04 N ATOM 1488 CD2 HIS A 101 -7.179 -2.917 8.926 1.00 1.53 C ATOM 1489 CE1 HIS A 101 -6.197 -4.781 8.296 1.00 2.41 C ATOM 1490 NE2 HIS A 101 -7.143 -4.306 9.126 1.00 2.05 N ATOM 0 H HIS A 101 -7.140 -0.217 5.048 1.00 0.80 H new ATOM 0 HA HIS A 101 -7.786 -0.292 7.879 1.00 0.79 H new ATOM 0 HB2 HIS A 101 -5.233 -1.365 6.590 1.00 0.95 H new ATOM 0 HB3 HIS A 101 -5.233 -0.780 8.242 1.00 0.95 H new ATOM 0 HD1 HIS A 101 -4.928 -3.875 6.882 1.00 2.04 H new ATOM 0 HD2 HIS A 101 -7.818 -2.217 9.444 1.00 1.53 H new ATOM 0 HE1 HIS A 101 -5.911 -5.819 8.215 1.00 2.41 H new ATOM 1498 N VAL A 102 -6.244 1.808 8.223 1.00 0.84 N ATOM 1499 CA VAL A 102 -5.367 2.994 8.369 1.00 0.93 C ATOM 1500 C VAL A 102 -3.938 2.517 8.652 1.00 0.97 C ATOM 1501 O VAL A 102 -3.737 1.360 9.025 1.00 0.94 O ATOM 1502 CB VAL A 102 -5.845 3.992 9.438 1.00 1.14 C ATOM 1503 CG1 VAL A 102 -7.100 4.713 8.949 1.00 1.56 C ATOM 1504 CG2 VAL A 102 -6.106 3.354 10.806 1.00 1.58 C ATOM 0 H VAL A 102 -6.735 1.550 9.079 1.00 0.84 H new ATOM 0 HA VAL A 102 -5.403 3.549 7.432 1.00 0.93 H new ATOM 0 HB VAL A 102 -5.030 4.701 9.584 1.00 1.14 H new ATOM 0 HG11 VAL A 102 -7.434 5.418 9.710 1.00 1.56 H new ATOM 0 HG12 VAL A 102 -6.875 5.252 8.029 1.00 1.56 H new ATOM 0 HG13 VAL A 102 -7.888 3.984 8.759 1.00 1.56 H new ATOM 0 HG21 VAL A 102 -6.440 4.119 11.507 1.00 1.58 H new ATOM 0 HG22 VAL A 102 -6.877 2.589 10.710 1.00 1.58 H new ATOM 0 HG23 VAL A 102 -5.187 2.899 11.176 1.00 1.58 H new ATOM 1514 N GLY A 103 -2.922 3.373 8.504 1.00 1.15 N ATOM 1515 CA GLY A 103 -1.520 2.924 8.563 1.00 1.30 C ATOM 1516 C GLY A 103 -1.144 2.266 9.894 1.00 1.36 C ATOM 1517 O GLY A 103 -0.508 1.215 9.893 1.00 1.40 O ATOM 0 H GLY A 103 -3.038 4.374 8.344 1.00 1.15 H new ATOM 0 HA2 GLY A 103 -1.339 2.217 7.753 1.00 1.30 H new ATOM 0 HA3 GLY A 103 -0.866 3.779 8.392 1.00 1.30 H new ATOM 1521 N ALA A 104 -1.626 2.791 11.019 1.00 1.46 N ATOM 1522 CA ALA A 104 -1.427 2.184 12.337 1.00 1.55 C ATOM 1523 C ALA A 104 -2.032 0.765 12.454 1.00 1.33 C ATOM 1524 O ALA A 104 -1.461 -0.097 13.125 1.00 1.35 O ATOM 1525 CB ALA A 104 -2.028 3.135 13.380 1.00 1.82 C ATOM 0 H ALA A 104 -2.169 3.654 11.044 1.00 1.46 H new ATOM 0 HA ALA A 104 -0.359 2.048 12.505 1.00 1.55 H new ATOM 0 HB1 ALA A 104 -1.897 2.712 14.376 1.00 1.82 H new ATOM 0 HB2 ALA A 104 -1.524 4.100 13.326 1.00 1.82 H new ATOM 0 HB3 ALA A 104 -3.091 3.269 13.180 1.00 1.82 H new ATOM 1531 N ASP A 105 -3.176 0.504 11.813 1.00 1.22 N ATOM 1532 CA ASP A 105 -3.835 -0.813 11.752 1.00 1.16 C ATOM 1533 C ASP A 105 -3.201 -1.820 10.762 1.00 0.98 C ATOM 1534 O ASP A 105 -3.593 -2.989 10.718 1.00 1.06 O ATOM 1535 CB ASP A 105 -5.351 -0.648 11.572 1.00 1.34 C ATOM 1536 CG ASP A 105 -6.186 -1.817 12.125 1.00 1.68 C ATOM 1537 OD1 ASP A 105 -5.633 -2.826 12.624 1.00 2.63 O ATOM 1538 OD2 ASP A 105 -7.434 -1.703 12.099 1.00 2.42 O ATOM 0 H ASP A 105 -3.689 1.224 11.304 1.00 1.22 H new ATOM 0 HA ASP A 105 -3.659 -1.286 12.718 1.00 1.16 H new ATOM 0 HB2 ASP A 105 -5.665 0.272 12.064 1.00 1.34 H new ATOM 0 HB3 ASP A 105 -5.568 -0.532 10.510 1.00 1.34 H new ATOM 1543 N THR A 106 -2.220 -1.398 9.956 1.00 0.90 N ATOM 1544 CA THR A 106 -1.482 -2.318 9.068 1.00 0.98 C ATOM 1545 C THR A 106 -0.701 -3.360 9.876 1.00 1.06 C ATOM 1546 O THR A 106 -0.198 -3.076 10.970 1.00 1.04 O ATOM 1547 CB THR A 106 -0.522 -1.593 8.103 1.00 1.13 C ATOM 1548 OG1 THR A 106 0.490 -0.890 8.792 1.00 1.67 O ATOM 1549 CG2 THR A 106 -1.247 -0.643 7.153 1.00 1.31 C ATOM 0 H THR A 106 -1.915 -0.426 9.897 1.00 0.90 H new ATOM 0 HA THR A 106 -2.241 -2.814 8.464 1.00 0.98 H new ATOM 0 HB THR A 106 -0.061 -2.381 7.507 1.00 1.13 H new ATOM 0 HG1 THR A 106 0.082 -0.306 9.465 1.00 1.67 H new ATOM 0 HG21 THR A 106 -0.522 -0.161 6.497 1.00 1.31 H new ATOM 0 HG22 THR A 106 -1.962 -1.205 6.552 1.00 1.31 H new ATOM 0 HG23 THR A 106 -1.775 0.116 7.730 1.00 1.31 H new ATOM 1557 N THR A 107 -0.542 -4.567 9.327 1.00 1.27 N ATOM 1558 CA THR A 107 0.363 -5.584 9.889 1.00 1.39 C ATOM 1559 C THR A 107 1.817 -5.110 9.799 1.00 1.21 C ATOM 1560 O THR A 107 2.582 -5.318 10.734 1.00 1.18 O ATOM 1561 CB THR A 107 0.179 -6.942 9.193 1.00 1.77 C ATOM 1562 OG1 THR A 107 -1.150 -7.392 9.365 1.00 2.35 O ATOM 1563 CG2 THR A 107 1.089 -8.025 9.770 1.00 3.65 C ATOM 0 H THR A 107 -1.032 -4.870 8.485 1.00 1.27 H new ATOM 0 HA THR A 107 0.110 -5.721 10.940 1.00 1.39 H new ATOM 0 HB THR A 107 0.427 -6.784 8.143 1.00 1.77 H new ATOM 0 HG1 THR A 107 -1.263 -8.257 8.918 1.00 2.35 H new ATOM 0 HG21 THR A 107 0.918 -8.963 9.242 1.00 3.65 H new ATOM 0 HG22 THR A 107 2.131 -7.726 9.651 1.00 3.65 H new ATOM 0 HG23 THR A 107 0.869 -8.159 10.829 1.00 3.65 H new ATOM 1571 N LEU A 108 2.175 -4.370 8.745 1.00 1.21 N ATOM 1572 CA LEU A 108 3.470 -3.705 8.574 1.00 1.13 C ATOM 1573 C LEU A 108 3.883 -2.884 9.815 1.00 0.97 C ATOM 1574 O LEU A 108 4.979 -3.058 10.348 1.00 0.96 O ATOM 1575 CB LEU A 108 3.342 -2.805 7.328 1.00 1.37 C ATOM 1576 CG LEU A 108 4.681 -2.288 6.781 1.00 0.76 C ATOM 1577 CD1 LEU A 108 5.328 -3.327 5.869 1.00 1.68 C ATOM 1578 CD2 LEU A 108 4.455 -1.038 5.940 1.00 0.79 C ATOM 0 H LEU A 108 1.546 -4.212 7.957 1.00 1.21 H new ATOM 0 HA LEU A 108 4.256 -4.449 8.448 1.00 1.13 H new ATOM 0 HB2 LEU A 108 2.833 -3.363 6.542 1.00 1.37 H new ATOM 0 HB3 LEU A 108 2.710 -1.952 7.574 1.00 1.37 H new ATOM 0 HG LEU A 108 5.323 -2.076 7.636 1.00 0.76 H new ATOM 0 HD11 LEU A 108 6.275 -2.941 5.492 1.00 1.68 H new ATOM 0 HD12 LEU A 108 5.508 -4.243 6.431 1.00 1.68 H new ATOM 0 HD13 LEU A 108 4.664 -3.540 5.031 1.00 1.68 H new ATOM 0 HD21 LEU A 108 5.410 -0.680 5.557 1.00 0.79 H new ATOM 0 HD22 LEU A 108 3.795 -1.275 5.105 1.00 0.79 H new ATOM 0 HD23 LEU A 108 3.997 -0.263 6.555 1.00 0.79 H new ATOM 1590 N SER A 109 2.993 -2.006 10.292 1.00 0.95 N ATOM 1591 CA SER A 109 3.196 -1.187 11.501 1.00 1.02 C ATOM 1592 C SER A 109 3.066 -1.969 12.818 1.00 1.03 C ATOM 1593 O SER A 109 3.632 -1.561 13.833 1.00 1.23 O ATOM 1594 CB SER A 109 2.253 0.020 11.489 1.00 1.20 C ATOM 1595 OG SER A 109 2.459 0.788 10.309 1.00 2.47 O ATOM 0 H SER A 109 2.093 -1.839 9.842 1.00 0.95 H new ATOM 0 HA SER A 109 4.231 -0.846 11.465 1.00 1.02 H new ATOM 0 HB2 SER A 109 1.217 -0.317 11.537 1.00 1.20 H new ATOM 0 HB3 SER A 109 2.429 0.638 12.370 1.00 1.20 H new ATOM 0 HG SER A 109 1.898 0.435 9.587 1.00 2.47 H new ATOM 1601 N GLN A 110 2.336 -3.091 12.812 1.00 1.01 N ATOM 1602 CA GLN A 110 2.222 -4.025 13.940 1.00 1.21 C ATOM 1603 C GLN A 110 3.511 -4.829 14.179 1.00 1.25 C ATOM 1604 O GLN A 110 3.916 -5.011 15.324 1.00 1.43 O ATOM 1605 CB GLN A 110 1.041 -4.968 13.666 1.00 1.31 C ATOM 1606 CG GLN A 110 0.579 -5.844 14.831 1.00 1.57 C ATOM 1607 CD GLN A 110 0.100 -5.056 16.028 1.00 1.89 C ATOM 1608 OE1 GLN A 110 0.391 -5.368 17.176 1.00 1.79 O ATOM 1609 NE2 GLN A 110 -0.669 -4.022 15.805 1.00 2.44 N ATOM 0 H GLN A 110 1.793 -3.383 12.000 1.00 1.01 H new ATOM 0 HA GLN A 110 2.053 -3.449 14.850 1.00 1.21 H new ATOM 0 HB2 GLN A 110 0.194 -4.366 13.336 1.00 1.31 H new ATOM 0 HB3 GLN A 110 1.312 -5.620 12.836 1.00 1.31 H new ATOM 0 HG2 GLN A 110 -0.226 -6.494 14.489 1.00 1.57 H new ATOM 0 HG3 GLN A 110 1.402 -6.490 15.137 1.00 1.57 H new ATOM 0 HE21 GLN A 110 -0.911 -3.763 14.848 1.00 2.44 H new ATOM 0 HE22 GLN A 110 -1.027 -3.474 16.588 1.00 2.44 H new ATOM 1618 N ILE A 111 4.183 -5.284 13.115 1.00 1.14 N ATOM 1619 CA ILE A 111 5.411 -6.104 13.194 1.00 1.18 C ATOM 1620 C ILE A 111 6.469 -5.458 14.105 1.00 1.15 C ATOM 1621 O ILE A 111 6.999 -6.128 14.993 1.00 1.23 O ATOM 1622 CB ILE A 111 5.946 -6.407 11.770 1.00 1.19 C ATOM 1623 CG1 ILE A 111 5.070 -7.503 11.118 1.00 1.38 C ATOM 1624 CG2 ILE A 111 7.420 -6.865 11.772 1.00 1.26 C ATOM 1625 CD1 ILE A 111 5.229 -7.608 9.594 1.00 1.47 C ATOM 0 H ILE A 111 3.889 -5.093 12.157 1.00 1.14 H new ATOM 0 HA ILE A 111 5.163 -7.058 13.659 1.00 1.18 H new ATOM 0 HB ILE A 111 5.896 -5.479 11.200 1.00 1.19 H new ATOM 0 HG12 ILE A 111 5.318 -8.465 11.566 1.00 1.38 H new ATOM 0 HG13 ILE A 111 4.024 -7.303 11.351 1.00 1.38 H new ATOM 0 HG21 ILE A 111 7.741 -7.063 10.749 1.00 1.26 H new ATOM 0 HG22 ILE A 111 8.044 -6.082 12.203 1.00 1.26 H new ATOM 0 HG23 ILE A 111 7.518 -7.774 12.365 1.00 1.26 H new ATOM 0 HD11 ILE A 111 4.582 -8.399 9.214 1.00 1.47 H new ATOM 0 HD12 ILE A 111 4.952 -6.660 9.133 1.00 1.47 H new ATOM 0 HD13 ILE A 111 6.266 -7.840 9.352 1.00 1.47 H new ATOM 1637 N VAL A 112 6.731 -4.152 13.960 1.00 1.09 N ATOM 1638 CA VAL A 112 7.723 -3.451 14.800 1.00 1.11 C ATOM 1639 C VAL A 112 7.327 -3.353 16.283 1.00 1.22 C ATOM 1640 O VAL A 112 8.209 -3.219 17.132 1.00 1.30 O ATOM 1641 CB VAL A 112 8.095 -2.062 14.243 1.00 1.09 C ATOM 1642 CG1 VAL A 112 8.629 -2.155 12.809 1.00 1.00 C ATOM 1643 CG2 VAL A 112 6.934 -1.063 14.246 1.00 1.17 C ATOM 0 H VAL A 112 6.272 -3.556 13.271 1.00 1.09 H new ATOM 0 HA VAL A 112 8.610 -4.083 14.756 1.00 1.11 H new ATOM 0 HB VAL A 112 8.866 -1.696 14.921 1.00 1.09 H new ATOM 0 HG11 VAL A 112 8.881 -1.157 12.449 1.00 1.00 H new ATOM 0 HG12 VAL A 112 9.520 -2.782 12.793 1.00 1.00 H new ATOM 0 HG13 VAL A 112 7.866 -2.591 12.164 1.00 1.00 H new ATOM 0 HG21 VAL A 112 7.273 -0.110 13.840 1.00 1.17 H new ATOM 0 HG22 VAL A 112 6.120 -1.449 13.633 1.00 1.17 H new ATOM 0 HG23 VAL A 112 6.582 -0.918 15.267 1.00 1.17 H new ATOM 1653 N LYS A 113 6.030 -3.446 16.607 1.00 1.26 N ATOM 1654 CA LYS A 113 5.531 -3.602 17.987 1.00 1.38 C ATOM 1655 C LYS A 113 5.766 -5.017 18.526 1.00 1.40 C ATOM 1656 O LYS A 113 6.214 -5.172 19.662 1.00 1.51 O ATOM 1657 CB LYS A 113 4.038 -3.255 18.108 1.00 1.49 C ATOM 1658 CG LYS A 113 3.670 -1.859 17.584 1.00 1.37 C ATOM 1659 CD LYS A 113 2.176 -1.583 17.774 1.00 1.58 C ATOM 1660 CE LYS A 113 1.898 -1.170 19.220 1.00 2.73 C ATOM 1661 NZ LYS A 113 0.543 -1.566 19.660 1.00 2.99 N ATOM 0 H LYS A 113 5.285 -3.415 15.911 1.00 1.26 H new ATOM 0 HA LYS A 113 6.103 -2.896 18.589 1.00 1.38 H new ATOM 0 HB2 LYS A 113 3.458 -4.000 17.562 1.00 1.49 H new ATOM 0 HB3 LYS A 113 3.744 -3.327 19.155 1.00 1.49 H new ATOM 0 HG2 LYS A 113 4.254 -1.103 18.109 1.00 1.37 H new ATOM 0 HG3 LYS A 113 3.927 -1.783 16.527 1.00 1.37 H new ATOM 0 HD2 LYS A 113 1.855 -0.794 17.094 1.00 1.58 H new ATOM 0 HD3 LYS A 113 1.599 -2.473 17.525 1.00 1.58 H new ATOM 0 HE2 LYS A 113 2.640 -1.626 19.876 1.00 2.73 H new ATOM 0 HE3 LYS A 113 2.009 -0.090 19.316 1.00 2.73 H new ATOM 0 HZ1 LYS A 113 0.397 -1.267 20.645 1.00 2.99 H new ATOM 0 HZ2 LYS A 113 -0.167 -1.111 19.051 1.00 2.99 H new ATOM 0 HZ3 LYS A 113 0.445 -2.599 19.594 1.00 2.99 H new ATOM 1675 N LEU A 114 5.471 -6.039 17.711 1.00 1.35 N ATOM 1676 CA LEU A 114 5.488 -7.455 18.073 1.00 1.46 C ATOM 1677 C LEU A 114 6.905 -7.991 18.301 1.00 1.46 C ATOM 1678 O LEU A 114 7.142 -8.673 19.299 1.00 1.66 O ATOM 1679 CB LEU A 114 4.824 -8.253 16.935 1.00 1.49 C ATOM 1680 CG LEU A 114 3.304 -8.120 16.786 1.00 2.34 C ATOM 1681 CD1 LEU A 114 2.845 -8.943 15.580 1.00 2.33 C ATOM 1682 CD2 LEU A 114 2.549 -8.617 18.014 1.00 3.38 C ATOM 0 H LEU A 114 5.202 -5.890 16.738 1.00 1.35 H new ATOM 0 HA LEU A 114 4.947 -7.568 19.013 1.00 1.46 H new ATOM 0 HB2 LEU A 114 5.284 -7.949 15.995 1.00 1.49 H new ATOM 0 HB3 LEU A 114 5.059 -9.308 17.079 1.00 1.49 H new ATOM 0 HG LEU A 114 3.085 -7.060 16.658 1.00 2.34 H new ATOM 0 HD11 LEU A 114 1.765 -8.853 15.468 1.00 2.33 H new ATOM 0 HD12 LEU A 114 3.335 -8.573 14.679 1.00 2.33 H new ATOM 0 HD13 LEU A 114 3.108 -9.990 15.732 1.00 2.33 H new ATOM 0 HD21 LEU A 114 1.477 -8.500 17.854 1.00 3.38 H new ATOM 0 HD22 LEU A 114 2.778 -9.670 18.181 1.00 3.38 H new ATOM 0 HD23 LEU A 114 2.851 -8.038 18.886 1.00 3.38 H new ATOM 1694 N VAL A 115 7.841 -7.684 17.396 1.00 1.34 N ATOM 1695 CA VAL A 115 9.242 -8.137 17.502 1.00 1.51 C ATOM 1696 C VAL A 115 9.858 -7.623 18.803 1.00 1.78 C ATOM 1697 O VAL A 115 10.421 -8.398 19.574 1.00 2.25 O ATOM 1698 CB VAL A 115 10.076 -7.703 16.281 1.00 1.48 C ATOM 1699 CG1 VAL A 115 11.568 -8.003 16.473 1.00 1.98 C ATOM 1700 CG2 VAL A 115 9.609 -8.445 15.024 1.00 1.45 C ATOM 0 H VAL A 115 7.654 -7.116 16.570 1.00 1.34 H new ATOM 0 HA VAL A 115 9.248 -9.227 17.517 1.00 1.51 H new ATOM 0 HB VAL A 115 9.934 -6.628 16.172 1.00 1.48 H new ATOM 0 HG11 VAL A 115 12.120 -7.682 15.590 1.00 1.98 H new ATOM 0 HG12 VAL A 115 11.937 -7.467 17.347 1.00 1.98 H new ATOM 0 HG13 VAL A 115 11.708 -9.074 16.619 1.00 1.98 H new ATOM 0 HG21 VAL A 115 10.208 -8.127 14.170 1.00 1.45 H new ATOM 0 HG22 VAL A 115 9.727 -9.519 15.170 1.00 1.45 H new ATOM 0 HG23 VAL A 115 8.560 -8.217 14.836 1.00 1.45 H new ATOM 1710 N GLU A 116 9.689 -6.334 19.088 1.00 1.62 N ATOM 1711 CA GLU A 116 10.209 -5.700 20.300 1.00 1.86 C ATOM 1712 C GLU A 116 9.681 -6.324 21.613 1.00 2.13 C ATOM 1713 O GLU A 116 10.411 -6.359 22.608 1.00 2.46 O ATOM 1714 CB GLU A 116 9.865 -4.203 20.225 1.00 1.80 C ATOM 1715 CG GLU A 116 10.953 -3.324 20.846 1.00 2.13 C ATOM 1716 CD GLU A 116 10.367 -1.993 21.311 1.00 2.23 C ATOM 1717 OE1 GLU A 116 10.256 -1.048 20.487 1.00 3.06 O ATOM 1718 OE2 GLU A 116 9.979 -1.907 22.501 1.00 2.85 O ATOM 0 H GLU A 116 9.182 -5.692 18.478 1.00 1.62 H new ATOM 0 HA GLU A 116 11.287 -5.860 20.333 1.00 1.86 H new ATOM 0 HB2 GLU A 116 9.722 -3.917 19.183 1.00 1.80 H new ATOM 0 HB3 GLU A 116 8.920 -4.024 20.738 1.00 1.80 H new ATOM 0 HG2 GLU A 116 11.409 -3.842 21.690 1.00 2.13 H new ATOM 0 HG3 GLU A 116 11.744 -3.145 20.117 1.00 2.13 H new ATOM 1725 N GLU A 117 8.451 -6.856 21.630 1.00 2.11 N ATOM 1726 CA GLU A 117 7.915 -7.662 22.737 1.00 2.49 C ATOM 1727 C GLU A 117 8.458 -9.103 22.782 1.00 2.76 C ATOM 1728 O GLU A 117 8.669 -9.652 23.864 1.00 3.07 O ATOM 1729 CB GLU A 117 6.389 -7.696 22.628 1.00 2.51 C ATOM 1730 CG GLU A 117 5.761 -6.321 22.875 1.00 2.57 C ATOM 1731 CD GLU A 117 5.283 -6.170 24.324 1.00 3.09 C ATOM 1732 OE1 GLU A 117 6.088 -5.775 25.206 1.00 3.77 O ATOM 1733 OE2 GLU A 117 4.084 -6.442 24.591 1.00 3.45 O ATOM 0 H GLU A 117 7.789 -6.737 20.863 1.00 2.11 H new ATOM 0 HA GLU A 117 8.241 -7.186 23.662 1.00 2.49 H new ATOM 0 HB2 GLU A 117 6.105 -8.051 21.637 1.00 2.51 H new ATOM 0 HB3 GLU A 117 5.991 -8.410 23.349 1.00 2.51 H new ATOM 0 HG2 GLU A 117 6.489 -5.542 22.649 1.00 2.57 H new ATOM 0 HG3 GLU A 117 4.920 -6.178 22.197 1.00 2.57 H new ATOM 1740 N ALA A 118 8.681 -9.729 21.621 1.00 2.80 N ATOM 1741 CA ALA A 118 8.981 -11.159 21.478 1.00 3.38 C ATOM 1742 C ALA A 118 10.378 -11.590 21.964 1.00 3.85 C ATOM 1743 O ALA A 118 10.634 -12.790 22.120 1.00 4.59 O ATOM 1744 CB ALA A 118 8.802 -11.523 19.999 1.00 3.41 C ATOM 0 H ALA A 118 8.657 -9.239 20.727 1.00 2.80 H new ATOM 0 HA ALA A 118 8.291 -11.697 22.128 1.00 3.38 H new ATOM 0 HB1 ALA A 118 9.018 -12.582 19.856 1.00 3.41 H new ATOM 0 HB2 ALA A 118 7.775 -11.318 19.695 1.00 3.41 H new ATOM 0 HB3 ALA A 118 9.486 -10.929 19.393 1.00 3.41 H new ATOM 1750 N GLN A 119 11.304 -10.639 22.132 1.00 3.63 N ATOM 1751 CA GLN A 119 12.659 -10.831 22.665 1.00 4.18 C ATOM 1752 C GLN A 119 12.642 -11.214 24.144 1.00 4.91 C ATOM 1753 O GLN A 119 13.195 -12.282 24.489 1.00 5.87 O ATOM 1754 CB GLN A 119 13.474 -9.533 22.449 1.00 3.93 C ATOM 1755 CG GLN A 119 13.763 -9.070 21.007 1.00 3.44 C ATOM 1756 CD GLN A 119 13.627 -10.205 20.018 1.00 3.69 C ATOM 1757 OE1 GLN A 119 14.456 -11.105 19.936 1.00 4.55 O ATOM 1758 NE2 GLN A 119 12.476 -10.303 19.404 1.00 3.61 N ATOM 0 H GLN A 119 11.120 -9.666 21.888 1.00 3.63 H new ATOM 0 HA GLN A 119 13.127 -11.657 22.130 1.00 4.18 H new ATOM 0 HB2 GLN A 119 12.948 -8.724 22.956 1.00 3.93 H new ATOM 0 HB3 GLN A 119 14.432 -9.656 22.954 1.00 3.93 H new ATOM 0 HG2 GLN A 119 13.076 -8.268 20.738 1.00 3.44 H new ATOM 0 HG3 GLN A 119 14.771 -8.658 20.952 1.00 3.44 H new ATOM 0 HE21 GLN A 119 11.793 -9.549 19.478 1.00 3.61 H new ATOM 0 HE22 GLN A 119 12.262 -11.133 18.851 1.00 3.61 H new TER 1767 GLN A 119