USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 17 SER OG : rot -163:sc= 0.039 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 6 THR OG1 : rot -79:sc= 1.36 USER MOD Single : A 7 THR OG1 : rot -110:sc= -0.0116 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.603 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -113:sc= -3.06! (180deg=-5.57!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 165:sc= -0.099 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.061 USER MOD Single : A 79 ASN : amide:sc= 0.146 X(o=0.15,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.288 7.269 -4.485 1.00 0.89 N ATOM 45 CA LEU A 4 -8.570 6.177 -4.956 1.00 0.69 C ATOM 46 C LEU A 4 -7.095 6.435 -4.782 1.00 0.63 C ATOM 47 O LEU A 4 -6.660 7.580 -4.677 1.00 0.87 O ATOM 48 CB LEU A 4 -8.886 5.984 -6.413 1.00 0.83 C ATOM 49 CG LEU A 4 -8.625 4.613 -6.941 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.669 3.629 -6.409 1.00 1.27 C ATOM 51 CD2 LEU A 4 -8.546 4.605 -8.453 1.00 1.51 C ATOM 0 HA LEU A 4 -8.842 5.280 -4.399 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -9.936 6.225 -6.576 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.301 6.698 -6.993 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.650 4.285 -6.581 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.465 2.634 -6.803 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.624 3.604 -5.320 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.663 3.947 -6.724 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -8.355 3.590 -8.802 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -9.489 4.960 -8.868 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -7.737 5.259 -8.779 1.00 1.51 H new ATOM 63 N LEU A 5 -6.350 5.398 -4.746 1.00 0.49 N ATOM 64 CA LEU A 5 -4.953 5.488 -4.608 1.00 0.44 C ATOM 65 C LEU A 5 -4.308 5.156 -5.933 1.00 0.39 C ATOM 66 O LEU A 5 -4.636 4.129 -6.538 1.00 0.42 O ATOM 67 CB LEU A 5 -4.484 4.493 -3.542 1.00 0.47 C ATOM 68 CG LEU A 5 -5.070 4.669 -2.137 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.614 3.547 -1.228 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.667 6.010 -1.552 1.00 0.79 C ATOM 0 H LEU A 5 -6.703 4.444 -4.813 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.672 6.497 -4.306 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -4.721 3.487 -3.887 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.398 4.557 -3.469 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.157 4.637 -2.216 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.040 3.688 -0.234 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -4.948 2.592 -1.633 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.526 3.552 -1.161 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.093 6.115 -0.554 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.580 6.068 -1.490 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.037 6.812 -2.191 1.00 0.79 H new ATOM 82 N THR A 6 -3.469 6.031 -6.410 1.00 0.38 N ATOM 83 CA THR A 6 -2.655 5.749 -7.557 1.00 0.40 C ATOM 84 C THR A 6 -1.322 5.214 -7.040 1.00 0.34 C ATOM 85 O THR A 6 -1.199 4.986 -5.819 1.00 0.30 O ATOM 86 CB THR A 6 -2.417 7.029 -8.403 1.00 0.51 C ATOM 87 OG1 THR A 6 -1.829 8.058 -7.577 1.00 0.56 O ATOM 88 CG2 THR A 6 -3.726 7.543 -8.994 1.00 0.63 C ATOM 0 H THR A 6 -3.330 6.961 -6.014 1.00 0.38 H new ATOM 0 HA THR A 6 -3.152 5.023 -8.200 1.00 0.40 H new ATOM 0 HB THR A 6 -1.740 6.777 -9.220 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.526 8.476 -7.029 1.00 0.56 H new ATOM 0 HG21 THR A 6 -3.532 8.440 -9.582 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.162 6.776 -9.635 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.421 7.780 -8.188 1.00 0.63 H new ATOM 96 N THR A 7 -0.341 5.003 -7.907 1.00 0.37 N ATOM 97 CA THR A 7 0.983 4.595 -7.464 1.00 0.37 C ATOM 98 C THR A 7 1.526 5.641 -6.464 1.00 0.35 C ATOM 99 O THR A 7 2.015 5.299 -5.379 1.00 0.34 O ATOM 100 CB THR A 7 1.944 4.466 -8.658 1.00 0.48 C ATOM 101 OG1 THR A 7 1.308 3.720 -9.712 1.00 0.61 O ATOM 102 CG2 THR A 7 3.189 3.718 -8.225 1.00 0.56 C ATOM 0 H THR A 7 -0.437 5.107 -8.917 1.00 0.37 H new ATOM 0 HA THR A 7 0.910 3.621 -6.980 1.00 0.37 H new ATOM 0 HB THR A 7 2.207 5.463 -9.012 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.738 2.844 -9.798 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.871 3.626 -9.071 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.681 4.265 -7.420 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.912 2.724 -7.872 1.00 0.56 H new ATOM 110 N ASP A 8 1.398 6.910 -6.845 1.00 0.43 N ATOM 111 CA ASP A 8 1.792 8.050 -6.014 1.00 0.50 C ATOM 112 C ASP A 8 1.057 8.068 -4.685 1.00 0.44 C ATOM 113 O ASP A 8 1.672 8.212 -3.628 1.00 0.46 O ATOM 114 CB ASP A 8 1.544 9.366 -6.761 1.00 0.67 C ATOM 115 CG ASP A 8 1.519 10.578 -5.849 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.586 10.986 -5.322 1.00 1.26 O ATOM 117 OD2 ASP A 8 0.424 11.134 -5.629 1.00 1.65 O ATOM 0 H ASP A 8 1.013 7.181 -7.750 1.00 0.43 H new ATOM 0 HA ASP A 8 2.856 7.943 -5.805 1.00 0.50 H new ATOM 0 HB2 ASP A 8 2.322 9.501 -7.512 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.595 9.301 -7.293 1.00 0.67 H new ATOM 122 N ASP A 9 -0.250 7.885 -4.727 1.00 0.42 N ATOM 123 CA ASP A 9 -1.052 7.930 -3.498 1.00 0.42 C ATOM 124 C ASP A 9 -0.700 6.784 -2.600 1.00 0.40 C ATOM 125 O ASP A 9 -0.774 6.899 -1.369 1.00 0.45 O ATOM 126 CB ASP A 9 -2.543 7.874 -3.764 1.00 0.46 C ATOM 127 CG ASP A 9 -3.069 9.007 -4.585 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.115 10.148 -4.087 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.480 8.770 -5.722 1.00 1.41 O ATOM 0 H ASP A 9 -0.781 7.706 -5.579 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.820 8.884 -3.025 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.774 6.937 -4.271 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.069 7.858 -2.810 1.00 0.46 H new ATOM 134 N LEU A 10 -0.339 5.674 -3.211 1.00 0.37 N ATOM 135 CA LEU A 10 0.062 4.504 -2.490 1.00 0.36 C ATOM 136 C LEU A 10 1.389 4.785 -1.797 1.00 0.36 C ATOM 137 O LEU A 10 1.540 4.516 -0.611 1.00 0.41 O ATOM 138 CB LEU A 10 0.194 3.309 -3.433 1.00 0.35 C ATOM 139 CG LEU A 10 0.233 1.950 -2.759 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.091 1.691 -2.058 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.532 0.858 -3.769 1.00 0.37 C ATOM 0 H LEU A 10 -0.319 5.567 -4.225 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.695 4.258 -1.746 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.642 3.325 -4.132 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.104 3.430 -4.021 1.00 0.35 H new ATOM 0 HG LEU A 10 1.032 1.944 -2.018 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.062 0.715 -1.574 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.262 2.463 -1.308 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -1.899 1.710 -2.789 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.555 -0.108 -3.264 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.243 0.849 -4.535 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.499 1.048 -4.234 1.00 0.37 H new ATOM 153 N ARG A 11 2.331 5.371 -2.554 1.00 0.36 N ATOM 154 CA ARG A 11 3.644 5.775 -2.035 1.00 0.38 C ATOM 155 C ARG A 11 3.486 6.621 -0.784 1.00 0.39 C ATOM 156 O ARG A 11 4.112 6.353 0.235 1.00 0.41 O ATOM 157 CB ARG A 11 4.439 6.572 -3.090 1.00 0.42 C ATOM 158 CG ARG A 11 5.750 7.159 -2.562 1.00 0.52 C ATOM 159 CD ARG A 11 6.472 8.012 -3.601 1.00 0.71 C ATOM 160 NE ARG A 11 5.665 9.148 -4.068 1.00 1.21 N ATOM 161 CZ ARG A 11 6.106 10.123 -4.874 1.00 1.60 C ATOM 162 NH1 ARG A 11 7.407 10.265 -5.110 1.00 1.92 N ATOM 163 NH2 ARG A 11 5.246 10.985 -5.402 1.00 2.46 N ATOM 0 H ARG A 11 2.201 5.577 -3.544 1.00 0.36 H new ATOM 0 HA ARG A 11 4.194 4.866 -1.792 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.658 5.920 -3.935 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.814 7.382 -3.466 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.543 7.765 -1.680 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.405 6.348 -2.245 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.403 8.385 -3.174 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.740 7.388 -4.454 1.00 0.71 H new ATOM 0 HE ARG A 11 4.696 9.198 -3.755 1.00 1.21 H new ATOM 0 HH11 ARG A 11 8.076 9.629 -4.676 1.00 1.92 H new ATOM 0 HH12 ARG A 11 7.735 11.010 -5.725 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.251 10.905 -5.194 1.00 2.46 H new ATOM 0 HH22 ARG A 11 5.580 11.728 -6.016 1.00 2.46 H new ATOM 177 N ARG A 12 2.607 7.612 -0.872 1.00 0.42 N ATOM 178 CA ARG A 12 2.334 8.542 0.220 1.00 0.47 C ATOM 179 C ARG A 12 1.978 7.807 1.504 1.00 0.43 C ATOM 180 O ARG A 12 2.497 8.132 2.553 1.00 0.48 O ATOM 181 CB ARG A 12 1.203 9.481 -0.176 1.00 0.60 C ATOM 182 CG ARG A 12 0.853 10.554 0.852 1.00 1.18 C ATOM 183 CD ARG A 12 -0.220 11.473 0.300 1.00 1.47 C ATOM 184 NE ARG A 12 0.221 12.066 -0.963 1.00 2.25 N ATOM 185 CZ ARG A 12 -0.342 11.834 -2.152 1.00 2.83 C ATOM 186 NH1 ARG A 12 -1.571 11.320 -2.227 1.00 2.60 N ATOM 187 NH2 ARG A 12 0.311 12.187 -3.232 1.00 3.93 N ATOM 0 H ARG A 12 2.057 7.795 -1.711 1.00 0.42 H new ATOM 0 HA ARG A 12 3.240 9.119 0.408 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.472 9.972 -1.111 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.311 8.886 -0.373 1.00 0.60 H new ATOM 0 HG2 ARG A 12 0.504 10.087 1.773 1.00 1.18 H new ATOM 0 HG3 ARG A 12 1.743 11.131 1.104 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -1.143 10.914 0.145 1.00 1.47 H new ATOM 0 HD3 ARG A 12 -0.441 12.260 1.021 1.00 1.47 H new ATOM 0 HE ARG A 12 1.017 12.703 -0.933 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -2.086 11.102 -1.374 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -1.996 11.145 -3.138 1.00 2.60 H new ATOM 0 HH21 ARG A 12 1.227 12.628 -3.153 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -0.097 12.021 -4.152 1.00 3.93 H new ATOM 201 N ALA A 13 1.147 6.782 1.393 1.00 0.40 N ATOM 202 CA ALA A 13 0.715 6.007 2.554 1.00 0.42 C ATOM 203 C ALA A 13 1.905 5.319 3.213 1.00 0.41 C ATOM 204 O ALA A 13 2.025 5.293 4.442 1.00 0.50 O ATOM 205 CB ALA A 13 -0.327 4.986 2.144 1.00 0.45 C ATOM 0 H ALA A 13 0.755 6.464 0.507 1.00 0.40 H new ATOM 0 HA ALA A 13 0.270 6.688 3.279 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.641 4.415 3.018 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -1.189 5.498 1.716 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.098 4.310 1.402 1.00 0.45 H new ATOM 211 N LEU A 14 2.798 4.795 2.391 1.00 0.38 N ATOM 212 CA LEU A 14 4.007 4.149 2.875 1.00 0.46 C ATOM 213 C LEU A 14 4.930 5.161 3.561 1.00 0.54 C ATOM 214 O LEU A 14 5.529 4.861 4.592 1.00 0.69 O ATOM 215 CB LEU A 14 4.740 3.375 1.749 1.00 0.48 C ATOM 216 CG LEU A 14 4.182 1.971 1.358 1.00 0.54 C ATOM 217 CD1 LEU A 14 2.761 2.025 0.860 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.056 1.303 0.320 1.00 1.44 C ATOM 0 H LEU A 14 2.707 4.805 1.375 1.00 0.38 H new ATOM 0 HA LEU A 14 3.710 3.411 3.620 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.737 3.999 0.855 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.781 3.252 2.048 1.00 0.48 H new ATOM 0 HG LEU A 14 4.191 1.381 2.274 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.427 1.020 0.603 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.118 2.433 1.639 1.00 1.21 H new ATOM 0 HD13 LEU A 14 2.709 2.661 -0.024 1.00 1.21 H new ATOM 0 HD21 LEU A 14 4.641 0.327 0.069 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.095 1.923 -0.576 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.063 1.177 0.718 1.00 1.44 H new ATOM 230 N VAL A 15 4.991 6.375 3.022 1.00 0.53 N ATOM 231 CA VAL A 15 5.817 7.440 3.607 1.00 0.63 C ATOM 232 C VAL A 15 5.178 7.919 4.917 1.00 0.66 C ATOM 233 O VAL A 15 5.857 8.266 5.865 1.00 0.80 O ATOM 234 CB VAL A 15 5.984 8.667 2.655 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.033 9.638 3.181 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.323 8.237 1.250 1.00 0.71 C ATOM 0 H VAL A 15 4.481 6.651 2.183 1.00 0.53 H new ATOM 0 HA VAL A 15 6.806 7.017 3.782 1.00 0.63 H new ATOM 0 HB VAL A 15 5.024 9.183 2.628 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.125 10.481 2.496 1.00 0.76 H new ATOM 0 HG12 VAL A 15 6.733 10.001 4.164 1.00 0.76 H new ATOM 0 HG13 VAL A 15 7.993 9.128 3.260 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.432 9.117 0.616 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.258 7.677 1.257 1.00 0.71 H new ATOM 0 HG23 VAL A 15 5.525 7.605 0.860 1.00 0.71 H new ATOM 246 N GLU A 16 3.871 7.963 4.956 1.00 0.62 N ATOM 247 CA GLU A 16 3.172 8.330 6.173 1.00 0.71 C ATOM 248 C GLU A 16 3.424 7.304 7.284 1.00 0.74 C ATOM 249 O GLU A 16 3.533 7.660 8.451 1.00 0.89 O ATOM 250 CB GLU A 16 1.676 8.508 5.920 1.00 0.79 C ATOM 251 CG GLU A 16 1.351 9.650 4.966 1.00 0.87 C ATOM 252 CD GLU A 16 1.822 10.990 5.475 1.00 1.20 C ATOM 253 OE1 GLU A 16 1.310 11.459 6.498 1.00 1.38 O ATOM 254 OE2 GLU A 16 2.699 11.620 4.840 1.00 2.05 O ATOM 0 H GLU A 16 3.265 7.751 4.163 1.00 0.62 H new ATOM 0 HA GLU A 16 3.568 9.289 6.506 1.00 0.71 H new ATOM 0 HB2 GLU A 16 1.272 7.581 5.514 1.00 0.79 H new ATOM 0 HB3 GLU A 16 1.174 8.686 6.871 1.00 0.79 H new ATOM 0 HG2 GLU A 16 1.812 9.451 3.999 1.00 0.87 H new ATOM 0 HG3 GLU A 16 0.274 9.686 4.804 1.00 0.87 H new ATOM 261 N SER A 17 3.557 6.051 6.902 1.00 0.68 N ATOM 262 CA SER A 17 3.753 4.980 7.848 1.00 0.77 C ATOM 263 C SER A 17 5.254 4.835 8.244 1.00 0.89 C ATOM 264 O SER A 17 5.588 4.856 9.431 1.00 1.15 O ATOM 265 CB SER A 17 3.192 3.660 7.247 1.00 0.73 C ATOM 266 OG SER A 17 3.066 2.610 8.205 1.00 1.39 O ATOM 0 H SER A 17 3.532 5.750 5.928 1.00 0.68 H new ATOM 0 HA SER A 17 3.211 5.212 8.765 1.00 0.77 H new ATOM 0 HB2 SER A 17 2.216 3.857 6.804 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.847 3.330 6.441 1.00 0.73 H new ATOM 0 HG SER A 17 2.968 1.753 7.740 1.00 1.39 H new ATOM 400 N ASP A 29 6.758 4.642 -10.388 1.00 0.70 N ATOM 401 CA ASP A 29 6.012 3.403 -10.278 1.00 0.64 C ATOM 402 C ASP A 29 6.858 2.360 -9.639 1.00 0.55 C ATOM 403 O ASP A 29 7.867 1.931 -10.199 1.00 0.74 O ATOM 404 CB ASP A 29 5.467 2.882 -11.617 1.00 0.80 C ATOM 405 CG ASP A 29 4.361 3.731 -12.184 1.00 1.29 C ATOM 406 OD1 ASP A 29 3.191 3.608 -11.730 1.00 1.68 O ATOM 407 OD2 ASP A 29 4.629 4.528 -13.099 1.00 2.07 O ATOM 0 HA ASP A 29 5.142 3.625 -9.660 1.00 0.64 H new ATOM 0 HB2 ASP A 29 6.283 2.832 -12.338 1.00 0.80 H new ATOM 0 HB3 ASP A 29 5.100 1.865 -11.480 1.00 0.80 H new ATOM 412 N PHE A 30 6.470 1.967 -8.460 1.00 0.39 N ATOM 413 CA PHE A 30 7.195 0.957 -7.727 1.00 0.34 C ATOM 414 C PHE A 30 6.346 -0.307 -7.601 1.00 0.31 C ATOM 415 O PHE A 30 6.691 -1.224 -6.885 1.00 0.31 O ATOM 416 CB PHE A 30 7.612 1.489 -6.335 1.00 0.35 C ATOM 417 CG PHE A 30 6.479 1.722 -5.353 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.611 2.797 -5.493 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.301 0.863 -4.278 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.590 3.004 -4.581 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.284 1.063 -3.367 1.00 0.38 C ATOM 422 CZ PHE A 30 4.425 2.137 -3.519 1.00 0.42 C ATOM 0 H PHE A 30 5.648 2.332 -7.978 1.00 0.39 H new ATOM 0 HA PHE A 30 8.104 0.708 -8.274 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.313 0.782 -5.891 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.149 2.428 -6.471 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.734 3.479 -6.322 1.00 0.39 H new ATOM 0 HD2 PHE A 30 6.969 0.024 -4.152 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.922 3.844 -4.700 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.159 0.383 -2.537 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.627 2.297 -2.809 1.00 0.42 H new ATOM 432 N LEU A 31 5.233 -0.330 -8.335 1.00 0.31 N ATOM 433 CA LEU A 31 4.244 -1.431 -8.317 1.00 0.31 C ATOM 434 C LEU A 31 4.826 -2.820 -8.561 1.00 0.31 C ATOM 435 O LEU A 31 4.221 -3.825 -8.163 1.00 0.35 O ATOM 436 CB LEU A 31 3.133 -1.199 -9.321 1.00 0.33 C ATOM 437 CG LEU A 31 2.280 0.042 -9.149 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.168 -0.004 -10.157 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.711 0.138 -7.740 1.00 0.32 C ATOM 0 H LEU A 31 4.981 0.425 -8.973 1.00 0.31 H new ATOM 0 HA LEU A 31 3.858 -1.415 -7.298 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.580 -1.165 -10.315 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.473 -2.066 -9.298 1.00 0.33 H new ATOM 0 HG LEU A 31 2.899 0.925 -9.307 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.542 0.882 -10.049 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.589 -0.031 -11.162 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.565 -0.897 -9.993 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.105 1.040 -7.653 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.092 -0.736 -7.537 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.528 0.179 -7.020 1.00 0.32 H new ATOM 451 N ASP A 32 5.949 -2.880 -9.231 1.00 0.31 N ATOM 452 CA ASP A 32 6.549 -4.156 -9.592 1.00 0.37 C ATOM 453 C ASP A 32 7.551 -4.585 -8.547 1.00 0.37 C ATOM 454 O ASP A 32 7.859 -5.771 -8.417 1.00 0.45 O ATOM 455 CB ASP A 32 7.263 -4.071 -10.953 1.00 0.48 C ATOM 456 CG ASP A 32 6.407 -3.507 -12.069 1.00 1.29 C ATOM 457 OD1 ASP A 32 5.265 -3.960 -12.264 1.00 2.04 O ATOM 458 OD2 ASP A 32 6.864 -2.560 -12.752 1.00 1.83 O ATOM 0 H ASP A 32 6.474 -2.062 -9.542 1.00 0.31 H new ATOM 0 HA ASP A 32 5.742 -4.886 -9.655 1.00 0.37 H new ATOM 0 HB2 ASP A 32 8.154 -3.452 -10.845 1.00 0.48 H new ATOM 0 HB3 ASP A 32 7.600 -5.068 -11.237 1.00 0.48 H new ATOM 463 N LEU A 33 8.009 -3.636 -7.770 1.00 0.35 N ATOM 464 CA LEU A 33 9.030 -3.874 -6.773 1.00 0.37 C ATOM 465 C LEU A 33 8.409 -4.536 -5.571 1.00 0.34 C ATOM 466 O LEU A 33 7.477 -4.015 -4.989 1.00 0.40 O ATOM 467 CB LEU A 33 9.726 -2.556 -6.347 1.00 0.41 C ATOM 468 CG LEU A 33 10.718 -1.890 -7.338 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.068 -1.520 -8.661 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.333 -0.656 -6.700 1.00 1.27 C ATOM 0 H LEU A 33 7.684 -2.670 -7.809 1.00 0.35 H new ATOM 0 HA LEU A 33 9.788 -4.526 -7.208 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.947 -1.829 -6.118 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.264 -2.750 -5.419 1.00 0.41 H new ATOM 0 HG LEU A 33 11.493 -2.624 -7.558 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.809 -1.058 -9.314 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.675 -2.418 -9.137 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.254 -0.818 -8.483 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.028 -0.193 -7.400 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.545 0.054 -6.447 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.867 -0.943 -5.794 1.00 1.27 H new ATOM 482 N ARG A 34 8.940 -5.662 -5.189 1.00 0.33 N ATOM 483 CA ARG A 34 8.386 -6.407 -4.083 1.00 0.34 C ATOM 484 C ARG A 34 8.757 -5.715 -2.800 1.00 0.29 C ATOM 485 O ARG A 34 9.905 -5.306 -2.638 1.00 0.34 O ATOM 486 CB ARG A 34 8.933 -7.833 -4.060 1.00 0.47 C ATOM 487 CG ARG A 34 8.656 -8.647 -5.312 1.00 0.61 C ATOM 488 CD ARG A 34 9.269 -10.034 -5.199 1.00 1.10 C ATOM 489 NE ARG A 34 10.733 -9.980 -5.032 1.00 1.91 N ATOM 490 CZ ARG A 34 11.419 -10.496 -3.997 1.00 3.03 C ATOM 491 NH1 ARG A 34 10.775 -11.040 -2.966 1.00 3.63 N ATOM 492 NH2 ARG A 34 12.743 -10.441 -3.983 1.00 3.94 N ATOM 0 H ARG A 34 9.757 -6.089 -5.625 1.00 0.33 H new ATOM 0 HA ARG A 34 7.303 -6.453 -4.195 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.011 -7.790 -3.904 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.507 -8.356 -3.203 1.00 0.47 H new ATOM 0 HG2 ARG A 34 7.580 -8.731 -5.466 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.064 -8.134 -6.183 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.827 -10.558 -4.352 1.00 1.10 H new ATOM 0 HD3 ARG A 34 9.027 -10.611 -6.092 1.00 1.10 H new ATOM 0 HE ARG A 34 11.270 -9.512 -5.762 1.00 1.91 H new ATOM 0 HH11 ARG A 34 9.755 -11.067 -2.958 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.301 -11.430 -2.184 1.00 3.63 H new ATOM 0 HH21 ARG A 34 13.244 -10.007 -4.758 1.00 3.94 H new ATOM 0 HH22 ARG A 34 13.261 -10.833 -3.197 1.00 3.94 H new ATOM 506 N PHE A 35 7.799 -5.580 -1.891 1.00 0.25 N ATOM 507 CA PHE A 35 8.045 -4.895 -0.617 1.00 0.24 C ATOM 508 C PHE A 35 9.197 -5.563 0.116 1.00 0.27 C ATOM 509 O PHE A 35 10.130 -4.895 0.554 1.00 0.29 O ATOM 510 CB PHE A 35 6.809 -4.899 0.284 1.00 0.26 C ATOM 511 CG PHE A 35 5.575 -4.347 -0.344 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.398 -2.991 -0.421 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.600 -5.179 -0.866 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.284 -2.454 -1.000 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.472 -4.642 -1.451 1.00 0.32 C ATOM 516 CZ PHE A 35 3.262 -3.386 -1.496 1.00 0.35 C ATOM 0 H PHE A 35 6.848 -5.932 -2.006 1.00 0.25 H new ATOM 0 HA PHE A 35 8.293 -3.859 -0.848 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.611 -5.923 0.601 1.00 0.26 H new ATOM 0 HB3 PHE A 35 7.030 -4.324 1.183 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.154 -2.334 -0.016 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.722 -6.251 -0.815 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.159 -1.385 -1.090 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.742 -5.309 -1.886 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.334 -3.007 -1.898 1.00 0.35 H new ATOM 526 N GLU A 36 9.142 -6.892 0.169 1.00 0.37 N ATOM 527 CA GLU A 36 10.165 -7.738 0.811 1.00 0.47 C ATOM 528 C GLU A 36 11.564 -7.452 0.239 1.00 0.46 C ATOM 529 O GLU A 36 12.568 -7.615 0.907 1.00 0.51 O ATOM 530 CB GLU A 36 9.827 -9.215 0.576 1.00 0.64 C ATOM 531 CG GLU A 36 8.457 -9.656 1.084 1.00 1.56 C ATOM 532 CD GLU A 36 8.342 -9.631 2.589 1.00 2.12 C ATOM 533 OE1 GLU A 36 8.792 -10.593 3.240 1.00 2.45 O ATOM 534 OE2 GLU A 36 7.798 -8.681 3.142 1.00 2.79 O ATOM 0 H GLU A 36 8.375 -7.428 -0.238 1.00 0.37 H new ATOM 0 HA GLU A 36 10.170 -7.512 1.877 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.883 -9.419 -0.493 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.590 -9.827 1.057 1.00 0.64 H new ATOM 0 HG2 GLU A 36 7.693 -9.007 0.657 1.00 1.56 H new ATOM 0 HG3 GLU A 36 8.253 -10.666 0.728 1.00 1.56 H new ATOM 541 N ASP A 37 11.598 -7.028 -1.002 1.00 0.44 N ATOM 542 CA ASP A 37 12.837 -6.748 -1.716 1.00 0.50 C ATOM 543 C ASP A 37 13.340 -5.326 -1.450 1.00 0.48 C ATOM 544 O ASP A 37 14.539 -5.087 -1.375 1.00 0.60 O ATOM 545 CB ASP A 37 12.617 -6.977 -3.213 1.00 0.57 C ATOM 546 CG ASP A 37 13.754 -6.501 -4.083 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.803 -7.152 -4.098 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.636 -5.438 -4.717 1.00 0.88 O ATOM 0 H ASP A 37 10.759 -6.863 -1.558 1.00 0.44 H new ATOM 0 HA ASP A 37 13.608 -7.427 -1.352 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.461 -8.042 -3.388 1.00 0.57 H new ATOM 0 HB3 ASP A 37 11.703 -6.467 -3.517 1.00 0.57 H new ATOM 553 N ILE A 38 12.426 -4.403 -1.256 1.00 0.40 N ATOM 554 CA ILE A 38 12.794 -3.004 -1.073 1.00 0.42 C ATOM 555 C ILE A 38 12.890 -2.575 0.398 1.00 0.42 C ATOM 556 O ILE A 38 12.671 -1.417 0.729 1.00 0.50 O ATOM 557 CB ILE A 38 11.870 -2.034 -1.866 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.386 -2.259 -1.510 1.00 0.47 C ATOM 559 CG2 ILE A 38 12.111 -2.186 -3.361 1.00 0.56 C ATOM 560 CD1 ILE A 38 9.417 -1.325 -2.214 1.00 0.60 C ATOM 0 H ILE A 38 11.423 -4.587 -1.220 1.00 0.40 H new ATOM 0 HA ILE A 38 13.799 -2.931 -1.488 1.00 0.42 H new ATOM 0 HB ILE A 38 12.117 -1.011 -1.581 1.00 0.47 H new ATOM 0 HG12 ILE A 38 10.120 -3.288 -1.753 1.00 0.47 H new ATOM 0 HG13 ILE A 38 10.263 -2.144 -0.433 1.00 0.47 H new ATOM 0 HG21 ILE A 38 11.459 -1.503 -3.906 1.00 0.56 H new ATOM 0 HG22 ILE A 38 13.151 -1.953 -3.587 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.895 -3.211 -3.662 1.00 0.56 H new ATOM 0 HD11 ILE A 38 8.398 -1.556 -1.903 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.651 -0.293 -1.952 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.505 -1.455 -3.293 1.00 0.60 H new ATOM 572 N GLY A 39 13.250 -3.496 1.267 1.00 0.42 N ATOM 573 CA GLY A 39 13.489 -3.146 2.665 1.00 0.50 C ATOM 574 C GLY A 39 12.288 -3.362 3.554 1.00 0.47 C ATOM 575 O GLY A 39 12.422 -3.480 4.780 1.00 0.66 O ATOM 0 H GLY A 39 13.384 -4.482 1.042 1.00 0.42 H new ATOM 0 HA2 GLY A 39 14.322 -3.739 3.042 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.791 -2.100 2.723 1.00 0.50 H new ATOM 579 N TYR A 40 11.142 -3.490 2.940 1.00 0.36 N ATOM 580 CA TYR A 40 9.893 -3.649 3.639 1.00 0.36 C ATOM 581 C TYR A 40 9.677 -5.067 4.064 1.00 0.42 C ATOM 582 O TYR A 40 10.330 -5.999 3.577 1.00 0.59 O ATOM 583 CB TYR A 40 8.695 -3.226 2.786 1.00 0.36 C ATOM 584 CG TYR A 40 8.457 -1.752 2.634 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.287 -0.990 1.818 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.447 -1.113 3.321 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.109 0.369 1.689 1.00 0.95 C ATOM 588 CE2 TYR A 40 7.260 0.241 3.203 1.00 0.90 C ATOM 589 CZ TYR A 40 7.947 0.948 2.311 1.00 1.04 C ATOM 590 OH TYR A 40 7.882 2.323 2.285 1.00 1.33 O ATOM 0 H TYR A 40 11.048 -3.487 1.924 1.00 0.36 H new ATOM 0 HA TYR A 40 9.962 -3.002 4.514 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.819 -3.654 1.791 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.798 -3.672 3.216 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.086 -1.474 1.276 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.793 -1.687 3.961 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.814 0.977 1.142 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.546 0.739 3.843 1.00 0.90 H new ATOM 0 HH TYR A 40 8.340 2.657 1.486 1.00 1.33 H new ATOM 600 N ASP A 41 8.764 -5.213 4.956 1.00 0.42 N ATOM 601 CA ASP A 41 8.300 -6.488 5.407 1.00 0.51 C ATOM 602 C ASP A 41 6.829 -6.394 5.455 1.00 0.44 C ATOM 603 O ASP A 41 6.284 -5.329 5.799 1.00 0.38 O ATOM 604 CB ASP A 41 8.774 -6.851 6.815 1.00 0.67 C ATOM 605 CG ASP A 41 10.240 -7.193 6.941 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.610 -8.374 6.699 1.00 1.06 O ATOM 607 OD2 ASP A 41 11.043 -6.324 7.330 1.00 0.99 O ATOM 0 H ASP A 41 8.300 -4.426 5.411 1.00 0.42 H new ATOM 0 HA ASP A 41 8.685 -7.250 4.730 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.556 -6.015 7.480 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.189 -7.700 7.168 1.00 0.67 H new ATOM 612 N SER A 42 6.193 -7.447 5.064 1.00 0.51 N ATOM 613 CA SER A 42 4.759 -7.579 5.055 1.00 0.48 C ATOM 614 C SER A 42 4.087 -7.148 6.383 1.00 0.41 C ATOM 615 O SER A 42 2.986 -6.594 6.375 1.00 0.37 O ATOM 616 CB SER A 42 4.410 -8.999 4.654 1.00 0.59 C ATOM 617 OG SER A 42 5.039 -9.956 5.505 1.00 1.03 O ATOM 0 H SER A 42 6.672 -8.281 4.725 1.00 0.51 H new ATOM 0 HA SER A 42 4.352 -6.884 4.321 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.329 -9.133 4.692 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.717 -9.172 3.622 1.00 0.59 H new ATOM 0 HG SER A 42 4.791 -10.860 5.220 1.00 1.03 H new ATOM 623 N LEU A 43 4.772 -7.353 7.509 1.00 0.45 N ATOM 624 CA LEU A 43 4.252 -6.942 8.805 1.00 0.46 C ATOM 625 C LEU A 43 4.143 -5.410 8.851 1.00 0.41 C ATOM 626 O LEU A 43 3.081 -4.874 9.166 1.00 0.41 O ATOM 627 CB LEU A 43 5.153 -7.499 9.938 1.00 0.59 C ATOM 628 CG LEU A 43 4.623 -7.451 11.396 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.512 -8.295 12.277 1.00 1.56 C ATOM 630 CD2 LEU A 43 4.581 -6.033 11.958 1.00 1.24 C ATOM 0 H LEU A 43 5.687 -7.801 7.545 1.00 0.45 H new ATOM 0 HA LEU A 43 3.253 -7.352 8.955 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.379 -8.539 9.701 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.096 -6.954 9.910 1.00 0.59 H new ATOM 0 HG LEU A 43 3.603 -7.834 11.382 1.00 0.75 H new ATOM 0 HD11 LEU A 43 5.143 -8.264 13.302 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.506 -9.325 11.920 1.00 1.56 H new ATOM 0 HD13 LEU A 43 6.530 -7.906 12.246 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.203 -6.058 12.980 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.585 -5.610 11.953 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.925 -5.417 11.343 1.00 1.24 H new ATOM 642 N ALA A 44 5.229 -4.719 8.491 1.00 0.39 N ATOM 643 CA ALA A 44 5.252 -3.244 8.462 1.00 0.39 C ATOM 644 C ALA A 44 4.248 -2.722 7.452 1.00 0.34 C ATOM 645 O ALA A 44 3.582 -1.717 7.674 1.00 0.40 O ATOM 646 CB ALA A 44 6.639 -2.731 8.112 1.00 0.43 C ATOM 0 H ALA A 44 6.109 -5.154 8.214 1.00 0.39 H new ATOM 0 HA ALA A 44 4.985 -2.884 9.456 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.631 -1.641 8.097 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.354 -3.078 8.858 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.928 -3.105 7.130 1.00 0.43 H new ATOM 652 N LEU A 45 4.125 -3.455 6.365 1.00 0.29 N ATOM 653 CA LEU A 45 3.206 -3.138 5.290 1.00 0.28 C ATOM 654 C LEU A 45 1.757 -3.145 5.800 1.00 0.25 C ATOM 655 O LEU A 45 0.935 -2.316 5.388 1.00 0.26 O ATOM 656 CB LEU A 45 3.371 -4.170 4.177 1.00 0.30 C ATOM 657 CG LEU A 45 2.407 -4.081 3.003 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.584 -2.777 2.246 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.599 -5.270 2.093 1.00 0.38 C ATOM 0 H LEU A 45 4.669 -4.302 6.200 1.00 0.29 H new ATOM 0 HA LEU A 45 3.429 -2.142 4.908 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.386 -4.090 3.788 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.276 -5.162 4.618 1.00 0.30 H new ATOM 0 HG LEU A 45 1.387 -4.096 3.387 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.882 -2.742 1.413 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.394 -1.939 2.916 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.603 -2.713 1.865 1.00 0.43 H new ATOM 0 HD21 LEU A 45 1.907 -5.202 1.254 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.623 -5.280 1.719 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.407 -6.188 2.648 1.00 0.38 H new ATOM 671 N MET A 46 1.450 -4.068 6.705 1.00 0.24 N ATOM 672 CA MET A 46 0.115 -4.144 7.285 1.00 0.23 C ATOM 673 C MET A 46 -0.231 -2.895 8.073 1.00 0.25 C ATOM 674 O MET A 46 -1.368 -2.504 8.102 1.00 0.27 O ATOM 675 CB MET A 46 -0.102 -5.385 8.149 1.00 0.27 C ATOM 676 CG MET A 46 0.005 -6.704 7.407 1.00 0.34 C ATOM 677 SD MET A 46 -0.347 -8.122 8.468 1.00 0.50 S ATOM 678 CE MET A 46 0.947 -7.947 9.699 1.00 1.49 C ATOM 0 H MET A 46 2.104 -4.770 7.051 1.00 0.24 H new ATOM 0 HA MET A 46 -0.561 -4.222 6.434 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.628 -5.379 8.958 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.088 -5.322 8.609 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.689 -6.702 6.566 1.00 0.34 H new ATOM 0 HG3 MET A 46 1.008 -6.804 6.992 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.649 -8.776 9.610 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.475 -7.006 9.541 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.505 -7.952 10.695 1.00 1.49 H new ATOM 688 N GLU A 47 0.764 -2.273 8.708 1.00 0.29 N ATOM 689 CA GLU A 47 0.560 -1.016 9.457 1.00 0.34 C ATOM 690 C GLU A 47 0.151 0.094 8.488 1.00 0.32 C ATOM 691 O GLU A 47 -0.700 0.930 8.776 1.00 0.36 O ATOM 692 CB GLU A 47 1.859 -0.619 10.161 1.00 0.45 C ATOM 693 CG GLU A 47 1.771 0.630 11.021 1.00 0.58 C ATOM 694 CD GLU A 47 0.810 0.488 12.169 1.00 1.03 C ATOM 695 OE1 GLU A 47 1.149 -0.181 13.170 1.00 1.25 O ATOM 696 OE2 GLU A 47 -0.325 1.004 12.067 1.00 1.88 O ATOM 0 H GLU A 47 1.725 -2.615 8.723 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.225 -1.163 10.199 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.183 -1.450 10.787 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.631 -0.468 9.407 1.00 0.45 H new ATOM 0 HG2 GLU A 47 2.761 0.866 11.411 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.464 1.471 10.400 1.00 0.58 H new ATOM 703 N THR A 48 0.748 0.045 7.338 1.00 0.30 N ATOM 704 CA THR A 48 0.531 0.992 6.286 1.00 0.33 C ATOM 705 C THR A 48 -0.895 0.824 5.787 1.00 0.29 C ATOM 706 O THR A 48 -1.681 1.778 5.746 1.00 0.33 O ATOM 707 CB THR A 48 1.529 0.716 5.162 1.00 0.36 C ATOM 708 OG1 THR A 48 2.858 0.688 5.713 1.00 0.42 O ATOM 709 CG2 THR A 48 1.445 1.791 4.105 1.00 0.45 C ATOM 0 H THR A 48 1.423 -0.680 7.096 1.00 0.30 H new ATOM 0 HA THR A 48 0.674 2.013 6.639 1.00 0.33 H new ATOM 0 HB THR A 48 1.293 -0.244 4.702 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.505 0.510 4.999 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.162 1.579 3.312 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.438 1.813 3.687 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.673 2.759 4.551 1.00 0.45 H new ATOM 717 N ALA A 49 -1.214 -0.408 5.410 1.00 0.25 N ATOM 718 CA ALA A 49 -2.548 -0.772 4.995 1.00 0.24 C ATOM 719 C ALA A 49 -3.545 -0.460 6.107 1.00 0.22 C ATOM 720 O ALA A 49 -4.656 -0.051 5.838 1.00 0.23 O ATOM 721 CB ALA A 49 -2.599 -2.245 4.619 1.00 0.27 C ATOM 0 H ALA A 49 -0.547 -1.180 5.386 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.819 -0.187 4.116 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.610 -2.506 4.308 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -1.907 -2.435 3.799 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.316 -2.850 5.480 1.00 0.27 H new ATOM 727 N ALA A 50 -3.107 -0.629 7.361 1.00 0.23 N ATOM 728 CA ALA A 50 -3.916 -0.342 8.532 1.00 0.26 C ATOM 729 C ALA A 50 -4.359 1.107 8.554 1.00 0.28 C ATOM 730 O ALA A 50 -5.514 1.422 8.877 1.00 0.30 O ATOM 731 CB ALA A 50 -3.204 -0.705 9.825 1.00 0.33 C ATOM 0 H ALA A 50 -2.172 -0.972 7.583 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.803 -0.971 8.461 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.848 -0.472 10.673 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.973 -1.770 9.826 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.280 -0.133 9.904 1.00 0.33 H new ATOM 737 N ARG A 51 -3.433 1.989 8.203 1.00 0.31 N ATOM 738 CA ARG A 51 -3.714 3.407 8.112 1.00 0.37 C ATOM 739 C ARG A 51 -4.708 3.665 7.016 1.00 0.36 C ATOM 740 O ARG A 51 -5.620 4.445 7.178 1.00 0.40 O ATOM 741 CB ARG A 51 -2.449 4.228 7.872 1.00 0.45 C ATOM 742 CG ARG A 51 -1.450 4.162 9.003 1.00 0.54 C ATOM 743 CD ARG A 51 -0.305 5.129 8.799 1.00 0.70 C ATOM 744 NE ARG A 51 -0.745 6.534 8.817 1.00 1.59 N ATOM 745 CZ ARG A 51 -0.018 7.562 9.262 1.00 1.76 C ATOM 746 NH1 ARG A 51 1.092 7.351 9.963 1.00 1.27 N ATOM 747 NH2 ARG A 51 -0.441 8.803 9.075 1.00 2.84 N ATOM 0 H ARG A 51 -2.471 1.739 7.975 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.133 3.720 9.069 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.970 3.879 6.957 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.729 5.269 7.709 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.952 4.386 9.944 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.059 3.148 9.084 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.440 4.975 9.579 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.181 4.916 7.847 1.00 0.70 H new ATOM 0 HE ARG A 51 -1.679 6.738 8.461 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.394 6.398 10.165 1.00 1.27 H new ATOM 0 HH12 ARG A 51 1.641 8.142 10.299 1.00 1.27 H new ATOM 0 HH21 ARG A 51 -1.322 8.974 8.591 1.00 2.84 H new ATOM 0 HH22 ARG A 51 0.115 9.588 9.415 1.00 2.84 H new ATOM 761 N LEU A 52 -4.543 2.969 5.914 1.00 0.32 N ATOM 762 CA LEU A 52 -5.435 3.080 4.783 1.00 0.34 C ATOM 763 C LEU A 52 -6.841 2.609 5.149 1.00 0.33 C ATOM 764 O LEU A 52 -7.836 3.251 4.770 1.00 0.37 O ATOM 765 CB LEU A 52 -4.859 2.306 3.602 1.00 0.35 C ATOM 766 CG LEU A 52 -3.569 2.891 3.026 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.988 1.981 1.964 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.836 4.276 2.451 1.00 0.69 C ATOM 0 H LEU A 52 -3.781 2.305 5.777 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.522 4.127 4.492 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.669 1.279 3.915 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.608 2.264 2.811 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.840 2.976 3.832 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -2.071 2.420 1.571 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.766 1.007 2.401 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.708 1.860 1.155 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.912 4.685 2.043 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.581 4.204 1.659 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -4.206 4.932 3.239 1.00 0.69 H new ATOM 780 N GLU A 53 -6.912 1.513 5.909 1.00 0.29 N ATOM 781 CA GLU A 53 -8.170 0.999 6.441 1.00 0.32 C ATOM 782 C GLU A 53 -8.857 2.080 7.257 1.00 0.35 C ATOM 783 O GLU A 53 -9.999 2.451 6.985 1.00 0.42 O ATOM 784 CB GLU A 53 -7.939 -0.209 7.358 1.00 0.32 C ATOM 785 CG GLU A 53 -7.349 -1.435 6.699 1.00 0.34 C ATOM 786 CD GLU A 53 -7.197 -2.567 7.684 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.152 -3.355 7.848 1.00 0.48 O ATOM 788 OE2 GLU A 53 -6.142 -2.678 8.324 1.00 0.46 O ATOM 0 H GLU A 53 -6.097 0.959 6.171 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.786 0.695 5.594 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.279 0.097 8.170 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.892 -0.486 7.809 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.989 -1.751 5.875 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.377 -1.189 6.272 1.00 0.34 H new ATOM 795 N SER A 54 -8.129 2.597 8.224 1.00 0.35 N ATOM 796 CA SER A 54 -8.625 3.590 9.140 1.00 0.41 C ATOM 797 C SER A 54 -8.989 4.913 8.413 1.00 0.45 C ATOM 798 O SER A 54 -10.025 5.502 8.686 1.00 0.55 O ATOM 799 CB SER A 54 -7.573 3.815 10.252 1.00 0.47 C ATOM 800 OG SER A 54 -8.047 4.668 11.291 1.00 1.19 O ATOM 0 H SER A 54 -7.159 2.331 8.395 1.00 0.35 H new ATOM 0 HA SER A 54 -9.550 3.230 9.592 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.289 2.853 10.678 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.674 4.248 9.814 1.00 0.47 H new ATOM 0 HG SER A 54 -7.348 4.778 11.969 1.00 1.19 H new ATOM 806 N ARG A 55 -8.145 5.342 7.483 1.00 0.44 N ATOM 807 CA ARG A 55 -8.330 6.597 6.757 1.00 0.54 C ATOM 808 C ARG A 55 -9.577 6.562 5.884 1.00 0.56 C ATOM 809 O ARG A 55 -10.414 7.439 5.968 1.00 0.68 O ATOM 810 CB ARG A 55 -7.093 6.882 5.888 1.00 0.63 C ATOM 811 CG ARG A 55 -6.908 8.343 5.429 1.00 0.83 C ATOM 812 CD ARG A 55 -7.938 8.834 4.410 1.00 1.08 C ATOM 813 NE ARG A 55 -7.601 10.156 3.860 1.00 1.65 N ATOM 814 CZ ARG A 55 -8.441 10.951 3.165 1.00 2.21 C ATOM 815 NH1 ARG A 55 -9.759 10.724 3.177 1.00 2.35 N ATOM 816 NH2 ARG A 55 -7.973 12.019 2.528 1.00 3.07 N ATOM 0 H ARG A 55 -7.308 4.828 7.208 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.458 7.393 7.490 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.206 6.583 6.446 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -7.142 6.248 5.003 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -6.947 8.991 6.304 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -5.913 8.450 4.998 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -8.011 8.113 3.596 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -8.919 8.880 4.883 1.00 1.08 H new ATOM 0 HE ARG A 55 -6.654 10.500 4.017 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -10.137 9.944 3.715 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -10.386 11.331 2.648 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -6.978 12.239 2.564 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -8.609 12.619 2.003 1.00 3.07 H new ATOM 830 N TYR A 56 -9.706 5.544 5.062 1.00 0.50 N ATOM 831 CA TYR A 56 -10.777 5.526 4.067 1.00 0.57 C ATOM 832 C TYR A 56 -12.030 4.808 4.538 1.00 0.61 C ATOM 833 O TYR A 56 -13.073 4.863 3.869 1.00 0.74 O ATOM 834 CB TYR A 56 -10.272 4.953 2.740 1.00 0.62 C ATOM 835 CG TYR A 56 -9.216 5.816 2.085 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.551 6.975 1.395 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.878 5.456 2.145 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.579 7.745 0.785 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.907 6.221 1.544 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.301 7.439 0.900 1.00 0.91 C ATOM 841 OH TYR A 56 -6.282 8.117 0.255 1.00 1.01 O ATOM 0 H TYR A 56 -9.097 4.725 5.055 1.00 0.50 H new ATOM 0 HA TYR A 56 -11.072 6.564 3.913 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.863 3.957 2.913 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -11.114 4.838 2.057 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.586 7.278 1.335 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.594 4.558 2.674 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.870 8.609 0.206 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.872 5.912 1.557 1.00 0.85 H new ATOM 0 HH TYR A 56 -5.423 7.882 0.664 1.00 1.01 H new ATOM 851 N GLY A 57 -11.944 4.172 5.682 1.00 0.58 N ATOM 852 CA GLY A 57 -13.087 3.470 6.217 1.00 0.66 C ATOM 853 C GLY A 57 -13.291 2.150 5.527 1.00 0.71 C ATOM 854 O GLY A 57 -14.374 1.854 5.024 1.00 0.93 O ATOM 0 H GLY A 57 -11.102 4.126 6.256 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.948 3.306 7.286 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.980 4.084 6.102 1.00 0.66 H new ATOM 858 N VAL A 58 -12.261 1.356 5.509 1.00 0.60 N ATOM 859 CA VAL A 58 -12.286 0.082 4.837 1.00 0.65 C ATOM 860 C VAL A 58 -11.547 -0.937 5.722 1.00 0.60 C ATOM 861 O VAL A 58 -11.032 -0.559 6.770 1.00 0.70 O ATOM 862 CB VAL A 58 -11.648 0.201 3.398 1.00 0.69 C ATOM 863 CG1 VAL A 58 -10.151 0.477 3.443 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.979 -0.984 2.497 1.00 1.16 C ATOM 0 H VAL A 58 -11.373 1.572 5.962 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.312 -0.256 4.689 1.00 0.65 H new ATOM 0 HB VAL A 58 -12.118 1.073 2.943 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.764 0.549 2.427 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.970 1.415 3.968 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.647 -0.335 3.966 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.511 -0.842 1.523 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.603 -1.901 2.950 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -13.060 -1.057 2.374 1.00 1.16 H new ATOM 874 N SER A 59 -11.509 -2.184 5.341 1.00 0.62 N ATOM 875 CA SER A 59 -10.802 -3.186 6.097 1.00 0.67 C ATOM 876 C SER A 59 -10.118 -4.161 5.169 1.00 0.59 C ATOM 877 O SER A 59 -10.677 -4.537 4.131 1.00 0.72 O ATOM 878 CB SER A 59 -11.762 -3.903 7.049 1.00 0.92 C ATOM 879 OG SER A 59 -12.965 -4.296 6.373 1.00 1.87 O ATOM 0 H SER A 59 -11.966 -2.536 4.500 1.00 0.62 H new ATOM 0 HA SER A 59 -10.032 -2.701 6.696 1.00 0.67 H new ATOM 0 HB2 SER A 59 -11.273 -4.782 7.468 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.008 -3.247 7.884 1.00 0.92 H new ATOM 0 HG SER A 59 -13.560 -4.753 7.003 1.00 1.87 H new ATOM 885 N ILE A 60 -8.934 -4.566 5.525 1.00 0.48 N ATOM 886 CA ILE A 60 -8.159 -5.482 4.731 1.00 0.45 C ATOM 887 C ILE A 60 -7.754 -6.649 5.617 1.00 0.51 C ATOM 888 O ILE A 60 -7.158 -6.434 6.677 1.00 0.57 O ATOM 889 CB ILE A 60 -6.861 -4.801 4.191 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.194 -3.510 3.429 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.088 -5.766 3.284 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.976 -2.720 3.004 1.00 0.41 C ATOM 0 H ILE A 60 -8.472 -4.268 6.384 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.760 -5.810 3.883 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.235 -4.542 5.045 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.779 -3.762 2.544 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.823 -2.880 4.058 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.186 -5.276 2.916 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.812 -6.656 3.850 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.715 -6.053 2.440 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.292 -1.823 2.472 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.401 -2.436 3.885 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.356 -3.332 2.348 1.00 0.41 H new ATOM 904 N PRO A 61 -8.102 -7.891 5.229 1.00 0.58 N ATOM 905 CA PRO A 61 -7.709 -9.084 5.978 1.00 0.66 C ATOM 906 C PRO A 61 -6.187 -9.175 6.059 1.00 0.56 C ATOM 907 O PRO A 61 -5.499 -9.072 5.033 1.00 0.44 O ATOM 908 CB PRO A 61 -8.269 -10.244 5.145 1.00 0.78 C ATOM 909 CG PRO A 61 -9.342 -9.635 4.312 1.00 0.87 C ATOM 910 CD PRO A 61 -8.905 -8.227 4.039 1.00 0.66 C ATOM 0 HA PRO A 61 -8.080 -9.084 7.003 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.495 -10.694 4.524 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.665 -11.034 5.783 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.476 -10.189 3.383 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.299 -9.652 4.834 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.318 -8.157 3.123 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.756 -7.556 3.924 1.00 0.66 H new ATOM 918 N ASP A 62 -5.676 -9.336 7.271 1.00 0.67 N ATOM 919 CA ASP A 62 -4.228 -9.384 7.556 1.00 0.67 C ATOM 920 C ASP A 62 -3.479 -10.422 6.718 1.00 0.54 C ATOM 921 O ASP A 62 -2.289 -10.242 6.443 1.00 0.52 O ATOM 922 CB ASP A 62 -3.938 -9.607 9.050 1.00 0.90 C ATOM 923 CG ASP A 62 -4.278 -10.989 9.538 1.00 1.18 C ATOM 924 OD1 ASP A 62 -5.439 -11.223 9.918 1.00 1.29 O ATOM 925 OD2 ASP A 62 -3.390 -11.868 9.539 1.00 1.83 O ATOM 0 H ASP A 62 -6.255 -9.440 8.104 1.00 0.67 H new ATOM 0 HA ASP A 62 -3.852 -8.402 7.270 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -2.881 -9.416 9.237 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -4.502 -8.878 9.632 1.00 0.90 H new ATOM 930 N ASP A 63 -4.162 -11.488 6.305 1.00 0.56 N ATOM 931 CA ASP A 63 -3.540 -12.502 5.445 1.00 0.55 C ATOM 932 C ASP A 63 -3.246 -11.904 4.095 1.00 0.44 C ATOM 933 O ASP A 63 -2.152 -12.029 3.592 1.00 0.46 O ATOM 934 CB ASP A 63 -4.445 -13.733 5.268 1.00 0.75 C ATOM 935 CG ASP A 63 -3.887 -14.741 4.259 1.00 1.54 C ATOM 936 OD1 ASP A 63 -3.073 -15.615 4.650 1.00 1.84 O ATOM 937 OD2 ASP A 63 -4.237 -14.665 3.059 1.00 2.34 O ATOM 0 H ASP A 63 -5.135 -11.674 6.547 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.617 -12.827 5.926 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.574 -14.225 6.232 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.433 -13.408 4.941 1.00 0.75 H new ATOM 942 N VAL A 64 -4.210 -11.173 3.566 1.00 0.41 N ATOM 943 CA VAL A 64 -4.090 -10.547 2.256 1.00 0.40 C ATOM 944 C VAL A 64 -3.126 -9.369 2.359 1.00 0.34 C ATOM 945 O VAL A 64 -2.271 -9.175 1.498 1.00 0.41 O ATOM 946 CB VAL A 64 -5.472 -10.036 1.754 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.365 -9.435 0.357 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.501 -11.152 1.775 1.00 0.66 C ATOM 0 H VAL A 64 -5.100 -10.995 4.031 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.717 -11.286 1.546 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.801 -9.251 2.435 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.346 -9.087 0.034 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.670 -8.595 0.374 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.002 -10.192 -0.338 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.458 -10.771 1.420 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.171 -11.964 1.127 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.614 -11.524 2.793 1.00 0.66 H new ATOM 958 N ALA A 65 -3.259 -8.610 3.439 1.00 0.33 N ATOM 959 CA ALA A 65 -2.403 -7.457 3.720 1.00 0.39 C ATOM 960 C ALA A 65 -0.920 -7.849 3.787 1.00 0.41 C ATOM 961 O ALA A 65 -0.050 -7.036 3.518 1.00 0.51 O ATOM 962 CB ALA A 65 -2.837 -6.777 5.010 1.00 0.46 C ATOM 0 H ALA A 65 -3.969 -8.776 4.153 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.516 -6.754 2.895 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.191 -5.921 5.205 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.868 -6.438 4.913 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.763 -7.484 5.837 1.00 0.46 H new ATOM 968 N GLY A 66 -0.651 -9.087 4.155 1.00 0.40 N ATOM 969 CA GLY A 66 0.709 -9.558 4.191 1.00 0.48 C ATOM 970 C GLY A 66 1.036 -10.445 3.005 1.00 0.48 C ATOM 971 O GLY A 66 2.160 -10.898 2.856 1.00 0.61 O ATOM 0 H GLY A 66 -1.353 -9.775 4.430 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.388 -8.705 4.203 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.876 -10.112 5.115 1.00 0.48 H new ATOM 975 N ARG A 67 0.061 -10.681 2.153 1.00 0.43 N ATOM 976 CA ARG A 67 0.239 -11.561 1.006 1.00 0.48 C ATOM 977 C ARG A 67 0.493 -10.749 -0.256 1.00 0.36 C ATOM 978 O ARG A 67 0.839 -11.289 -1.303 1.00 0.40 O ATOM 979 CB ARG A 67 -0.993 -12.478 0.843 1.00 0.64 C ATOM 980 CG ARG A 67 -0.928 -13.547 -0.260 1.00 1.16 C ATOM 981 CD ARG A 67 0.237 -14.525 -0.081 1.00 1.45 C ATOM 982 NE ARG A 67 1.544 -13.917 -0.389 1.00 2.16 N ATOM 983 CZ ARG A 67 2.709 -14.243 0.191 1.00 3.05 C ATOM 984 NH1 ARG A 67 2.768 -15.192 1.107 1.00 3.43 N ATOM 985 NH2 ARG A 67 3.809 -13.617 -0.164 1.00 3.98 N ATOM 0 H ARG A 67 -0.871 -10.275 2.230 1.00 0.43 H new ATOM 0 HA ARG A 67 1.112 -12.191 1.177 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.168 -12.982 1.793 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.861 -11.847 0.653 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -1.864 -14.105 -0.273 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.837 -13.056 -1.229 1.00 1.16 H new ATOM 0 HD2 ARG A 67 0.244 -14.891 0.946 1.00 1.45 H new ATOM 0 HD3 ARG A 67 0.082 -15.390 -0.726 1.00 1.45 H new ATOM 0 HE ARG A 67 1.564 -13.188 -1.102 1.00 2.16 H new ATOM 0 HH11 ARG A 67 1.921 -15.688 1.382 1.00 3.43 H new ATOM 0 HH12 ARG A 67 3.661 -15.429 1.539 1.00 3.43 H new ATOM 0 HH21 ARG A 67 3.774 -12.888 -0.877 1.00 3.98 H new ATOM 0 HH22 ARG A 67 4.698 -13.860 0.273 1.00 3.98 H new ATOM 999 N VAL A 68 0.302 -9.472 -0.164 1.00 0.33 N ATOM 1000 CA VAL A 68 0.565 -8.588 -1.270 1.00 0.34 C ATOM 1001 C VAL A 68 2.069 -8.307 -1.372 1.00 0.35 C ATOM 1002 O VAL A 68 2.642 -7.603 -0.562 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.273 -7.283 -1.173 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.737 -7.590 -1.458 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.150 -6.642 0.204 1.00 0.41 C ATOM 0 H VAL A 68 -0.040 -9.006 0.676 1.00 0.33 H new ATOM 0 HA VAL A 68 0.253 -9.081 -2.191 1.00 0.34 H new ATOM 0 HB VAL A 68 0.113 -6.581 -1.912 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.321 -6.672 -1.389 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.833 -8.007 -2.461 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.106 -8.311 -0.729 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.749 -5.732 0.236 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.507 -7.338 0.963 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.894 -6.397 0.399 1.00 0.41 H new ATOM 1015 N ASP A 69 2.699 -8.944 -2.329 1.00 0.36 N ATOM 1016 CA ASP A 69 4.124 -8.839 -2.540 1.00 0.40 C ATOM 1017 C ASP A 69 4.445 -7.682 -3.408 1.00 0.32 C ATOM 1018 O ASP A 69 5.444 -6.981 -3.201 1.00 0.32 O ATOM 1019 CB ASP A 69 4.642 -10.104 -3.201 1.00 0.57 C ATOM 1020 CG ASP A 69 4.663 -11.308 -2.312 1.00 1.13 C ATOM 1021 OD1 ASP A 69 3.650 -12.038 -2.248 1.00 1.91 O ATOM 1022 OD2 ASP A 69 5.675 -11.540 -1.627 1.00 1.27 O ATOM 0 H ASP A 69 2.230 -9.559 -2.994 1.00 0.36 H new ATOM 0 HA ASP A 69 4.600 -8.700 -1.569 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.024 -10.322 -4.072 1.00 0.57 H new ATOM 0 HB3 ASP A 69 5.653 -9.920 -3.565 1.00 0.57 H new ATOM 1027 N THR A 70 3.648 -7.500 -4.392 1.00 0.32 N ATOM 1028 CA THR A 70 3.826 -6.431 -5.281 1.00 0.31 C ATOM 1029 C THR A 70 2.752 -5.378 -5.056 1.00 0.27 C ATOM 1030 O THR A 70 1.561 -5.711 -4.894 1.00 0.29 O ATOM 1031 CB THR A 70 3.876 -6.930 -6.735 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.711 -7.719 -7.036 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.120 -7.779 -6.925 1.00 0.47 C ATOM 0 H THR A 70 2.848 -8.098 -4.600 1.00 0.32 H new ATOM 0 HA THR A 70 4.788 -5.957 -5.085 1.00 0.31 H new ATOM 0 HB THR A 70 3.901 -6.071 -7.405 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.829 -8.158 -7.904 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.163 -8.137 -7.954 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.005 -7.180 -6.712 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.086 -8.631 -6.246 1.00 0.47 H new ATOM 1041 N PRO A 71 3.159 -4.098 -4.978 1.00 0.25 N ATOM 1042 CA PRO A 71 2.261 -2.973 -4.761 1.00 0.24 C ATOM 1043 C PRO A 71 1.083 -2.958 -5.707 1.00 0.21 C ATOM 1044 O PRO A 71 0.021 -2.507 -5.333 1.00 0.25 O ATOM 1045 CB PRO A 71 3.144 -1.754 -4.983 1.00 0.29 C ATOM 1046 CG PRO A 71 4.503 -2.223 -4.640 1.00 0.32 C ATOM 1047 CD PRO A 71 4.558 -3.656 -5.056 1.00 0.30 C ATOM 0 HA PRO A 71 1.811 -3.014 -3.769 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.091 -1.407 -6.015 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.839 -0.921 -4.350 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.261 -1.636 -5.159 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.694 -2.119 -3.572 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.956 -3.765 -6.065 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.199 -4.240 -4.396 1.00 0.30 H new ATOM 1055 N ARG A 72 1.279 -3.458 -6.936 1.00 0.22 N ATOM 1056 CA ARG A 72 0.198 -3.534 -7.921 1.00 0.26 C ATOM 1057 C ARG A 72 -1.037 -4.263 -7.328 1.00 0.25 C ATOM 1058 O ARG A 72 -2.148 -3.756 -7.375 1.00 0.29 O ATOM 1059 CB ARG A 72 0.665 -4.223 -9.233 1.00 0.40 C ATOM 1060 CG ARG A 72 0.949 -5.711 -9.101 1.00 0.92 C ATOM 1061 CD ARG A 72 1.294 -6.359 -10.414 1.00 0.95 C ATOM 1062 NE ARG A 72 2.611 -5.966 -10.890 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.677 -6.774 -10.883 1.00 0.93 C ATOM 1064 NH1 ARG A 72 3.597 -7.996 -10.352 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.810 -6.358 -11.385 1.00 1.29 N ATOM 0 H ARG A 72 2.175 -3.814 -7.268 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.090 -2.513 -8.170 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.100 -4.079 -9.996 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.567 -3.725 -9.588 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.772 -5.858 -8.401 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.076 -6.206 -8.675 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.258 -7.443 -10.303 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.545 -6.089 -11.158 1.00 0.95 H new ATOM 0 HE ARG A 72 2.729 -5.019 -11.250 1.00 0.67 H new ATOM 0 HH11 ARG A 72 2.718 -8.320 -9.948 1.00 1.48 H new ATOM 0 HH12 ARG A 72 4.414 -8.606 -10.351 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.879 -5.420 -11.780 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.625 -6.971 -11.381 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.783 -5.418 -6.704 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.812 -6.284 -6.151 1.00 0.28 C ATOM 1081 C GLU A 73 -2.513 -5.608 -4.995 1.00 0.26 C ATOM 1082 O GLU A 73 -3.740 -5.666 -4.870 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.180 -7.603 -5.700 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.537 -8.392 -6.834 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.541 -8.895 -7.848 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.897 -8.152 -8.786 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -2.003 -10.042 -7.719 1.00 1.24 O ATOM 0 H GLU A 73 0.162 -5.777 -6.570 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.556 -6.489 -6.921 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.426 -7.394 -4.941 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.945 -8.220 -5.228 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.195 -7.762 -7.338 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.006 -9.240 -6.417 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.724 -4.946 -4.173 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.221 -4.241 -3.011 1.00 0.28 C ATOM 1096 C LEU A 74 -3.051 -3.040 -3.461 1.00 0.26 C ATOM 1097 O LEU A 74 -4.158 -2.819 -2.962 1.00 0.29 O ATOM 1098 CB LEU A 74 -1.016 -3.856 -2.092 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.280 -3.102 -0.759 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.494 -1.627 -0.984 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.462 -3.709 -0.002 1.00 0.90 C ATOM 0 H LEU A 74 -0.713 -4.882 -4.294 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.883 -4.873 -2.420 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.485 -4.776 -1.847 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.336 -3.244 -2.684 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.387 -3.218 -0.145 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.675 -1.136 -0.028 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.607 -1.198 -1.450 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.354 -1.480 -1.637 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.621 -3.159 0.926 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.359 -3.648 -0.618 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.250 -4.753 0.227 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.520 -2.303 -4.423 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.186 -1.151 -4.998 1.00 0.23 C ATOM 1115 C LEU A 75 -4.536 -1.573 -5.551 1.00 0.24 C ATOM 1116 O LEU A 75 -5.559 -1.004 -5.203 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.332 -0.546 -6.119 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.812 0.787 -6.672 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.735 1.845 -5.594 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -1.994 1.193 -7.885 1.00 0.34 C ATOM 0 H LEU A 75 -1.604 -2.492 -4.830 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.327 -0.398 -4.223 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.315 -0.418 -5.747 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.284 -1.262 -6.940 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.849 0.683 -6.990 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.080 2.798 -5.995 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.366 1.555 -4.754 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.704 1.945 -5.256 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.355 2.149 -8.264 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -0.946 1.287 -7.602 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.093 0.434 -8.661 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.512 -2.612 -6.376 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.704 -3.186 -7.008 1.00 0.25 C ATOM 1134 C ASP A 76 -6.748 -3.613 -5.982 1.00 0.27 C ATOM 1135 O ASP A 76 -7.935 -3.304 -6.132 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.309 -4.381 -7.892 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.497 -5.150 -8.422 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.144 -4.698 -9.397 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.813 -6.211 -7.867 1.00 0.57 O ATOM 0 H ASP A 76 -3.649 -3.092 -6.633 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.154 -2.409 -7.626 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.713 -4.022 -8.731 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.675 -5.056 -7.317 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.290 -4.284 -4.928 1.00 0.30 N ATOM 1145 CA LEU A 77 -7.161 -4.777 -3.863 1.00 0.36 C ATOM 1146 C LEU A 77 -7.860 -3.593 -3.193 1.00 0.34 C ATOM 1147 O LEU A 77 -9.087 -3.580 -3.048 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.315 -5.608 -2.843 1.00 0.47 C ATOM 1149 CG LEU A 77 -7.044 -6.436 -1.737 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.689 -5.568 -0.659 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -8.073 -7.375 -2.355 1.00 1.96 C ATOM 0 H LEU A 77 -5.303 -4.502 -4.788 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.930 -5.433 -4.272 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.698 -6.300 -3.417 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.637 -4.918 -2.341 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.274 -7.025 -1.239 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.178 -6.206 0.077 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.923 -4.968 -0.168 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.428 -4.909 -1.116 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.568 -7.942 -1.567 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.813 -6.793 -2.904 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.574 -8.063 -3.037 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.083 -2.587 -2.829 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.623 -1.413 -2.177 1.00 0.34 C ATOM 1165 C ILE A 78 -8.521 -0.637 -3.137 1.00 0.31 C ATOM 1166 O ILE A 78 -9.609 -0.251 -2.772 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.505 -0.511 -1.597 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.694 -1.314 -0.573 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.100 0.740 -0.941 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.570 -0.548 0.072 1.00 0.55 C ATOM 0 H ILE A 78 -6.074 -2.563 -2.976 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.228 -1.747 -1.334 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.853 -0.186 -2.407 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.368 -1.671 0.206 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.281 -2.195 -1.065 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.296 1.358 -0.541 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.660 1.309 -1.683 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.767 0.444 -0.132 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.051 -1.192 0.781 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.871 -0.214 -0.694 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.974 0.318 0.597 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.061 -0.447 -4.373 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.852 0.240 -5.422 1.00 0.31 C ATOM 1184 C ASN A 79 -10.220 -0.418 -5.583 1.00 0.32 C ATOM 1185 O ASN A 79 -11.255 0.272 -5.626 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.119 0.229 -6.790 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.012 1.285 -6.976 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.733 1.689 -8.097 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.396 1.752 -5.911 1.00 0.52 N ATOM 0 H ASN A 79 -7.141 -0.757 -4.685 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.978 1.274 -5.102 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.679 -0.758 -6.935 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.860 0.367 -7.577 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.672 2.463 -6.012 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.643 1.403 -4.985 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.222 -1.742 -5.641 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.445 -2.494 -5.773 1.00 0.42 C ATOM 1198 C GLY A 80 -12.350 -2.338 -4.570 1.00 0.45 C ATOM 1199 O GLY A 80 -13.563 -2.137 -4.721 1.00 0.53 O ATOM 0 H GLY A 80 -9.379 -2.314 -5.598 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.975 -2.167 -6.668 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.207 -3.549 -5.911 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.756 -2.381 -3.385 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.497 -2.253 -2.137 1.00 0.52 C ATOM 1205 C ALA A 81 -13.050 -0.836 -1.976 1.00 0.51 C ATOM 1206 O ALA A 81 -14.171 -0.653 -1.519 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.614 -2.624 -0.952 1.00 0.59 C ATOM 0 H ALA A 81 -10.751 -2.505 -3.262 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.340 -2.943 -2.168 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.183 -2.523 -0.028 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.276 -3.655 -1.059 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.750 -1.960 -0.920 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.265 0.155 -2.386 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.668 1.555 -2.350 1.00 0.56 C ATOM 1215 C LEU A 82 -13.896 1.772 -3.218 1.00 0.59 C ATOM 1216 O LEU A 82 -14.870 2.408 -2.806 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.511 2.444 -2.827 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.307 2.551 -1.889 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.209 3.380 -2.524 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -10.721 3.150 -0.553 1.00 1.10 C ATOM 0 H LEU A 82 -11.326 0.008 -2.755 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.919 1.825 -1.324 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -11.163 2.066 -3.788 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.900 3.447 -3.001 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.921 1.547 -1.711 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.361 3.445 -1.842 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.891 2.911 -3.455 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.584 4.382 -2.733 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.851 3.218 0.100 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.133 4.146 -0.713 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.475 2.515 -0.088 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.856 1.218 -4.411 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.971 1.294 -5.339 1.00 0.67 C ATOM 1234 C ALA A 83 -16.200 0.532 -4.810 1.00 0.72 C ATOM 1235 O ALA A 83 -17.323 0.767 -5.237 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.561 0.768 -6.697 1.00 0.76 C ATOM 0 H ALA A 83 -13.052 0.702 -4.767 1.00 0.57 H new ATOM 0 HA ALA A 83 -15.253 2.342 -5.438 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.406 0.831 -7.382 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.735 1.365 -7.084 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.246 -0.271 -6.605 1.00 0.76 H new