USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -16:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 150:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0.15) USER MOD Single : A 42 MET CE :methyl 154:sc= -2.61 (180deg=-6.27!) USER MOD Single : A 46 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : B 5 THR OG1 : rot -59:sc= 0.865 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 30:sc= 0 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -3.68 X(o=-3.7,f=-4.1!) USER MOD Single : B 19 THR OG1 : rot -170:sc= -0.424 USER MOD Single : B 21 SER OG : rot 60:sc= -0.286! USER MOD Single : B 37 LYS NZ :NH3+ 134:sc= 1.03 (180deg=-0.072) USER MOD Single : B 42 MET CE :methyl 146:sc= -1.92 (180deg=-5.43!) USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 5 -6.571 0.344 -10.850 1.00 3.14 N ATOM 73 CA THR A 5 -6.484 0.550 -9.422 1.00 3.01 C ATOM 74 C THR A 5 -7.879 0.376 -8.885 1.00 2.85 C ATOM 75 O THR A 5 -8.841 0.419 -9.651 1.00 2.89 O ATOM 76 CB THR A 5 -5.957 1.949 -9.039 1.00 3.29 C ATOM 77 OG1 THR A 5 -6.750 2.971 -9.654 1.00 3.55 O ATOM 78 CG2 THR A 5 -4.503 2.109 -9.435 1.00 3.52 C ATOM 0 HA THR A 5 -5.774 -0.162 -9.001 1.00 3.01 H new ATOM 0 HB THR A 5 -6.031 2.050 -7.956 1.00 3.29 H new ATOM 0 HG1 THR A 5 -7.287 2.579 -10.374 1.00 3.55 H new ATOM 0 HG21 THR A 5 -4.157 3.104 -9.154 1.00 3.52 H new ATOM 0 HG22 THR A 5 -3.902 1.357 -8.924 1.00 3.52 H new ATOM 0 HG23 THR A 5 -4.403 1.981 -10.513 1.00 3.52 H new ATOM 86 N LEU A 6 -8.021 0.156 -7.599 1.00 2.72 N ATOM 87 CA LEU A 6 -9.349 -0.015 -7.043 1.00 2.62 C ATOM 88 C LEU A 6 -10.217 1.219 -7.297 1.00 2.85 C ATOM 89 O LEU A 6 -11.442 1.134 -7.333 1.00 2.79 O ATOM 90 CB LEU A 6 -9.275 -0.354 -5.571 1.00 2.55 C ATOM 91 CG LEU A 6 -9.677 -1.779 -5.244 1.00 2.31 C ATOM 92 CD1 LEU A 6 -9.665 -2.005 -3.744 1.00 2.37 C ATOM 93 CD2 LEU A 6 -11.045 -2.089 -5.832 1.00 2.25 C ATOM 0 H LEU A 6 -7.255 0.092 -6.929 1.00 2.72 H new ATOM 0 HA LEU A 6 -9.825 -0.854 -7.551 1.00 2.62 H new ATOM 0 HB2 LEU A 6 -8.257 -0.186 -5.221 1.00 2.55 H new ATOM 0 HB3 LEU A 6 -9.919 0.330 -5.019 1.00 2.55 H new ATOM 0 HG LEU A 6 -8.952 -2.459 -5.692 1.00 2.31 H new ATOM 0 HD11 LEU A 6 -9.956 -3.033 -3.529 1.00 2.37 H new ATOM 0 HD12 LEU A 6 -8.663 -1.823 -3.357 1.00 2.37 H new ATOM 0 HD13 LEU A 6 -10.368 -1.322 -3.267 1.00 2.37 H new ATOM 0 HD21 LEU A 6 -11.321 -3.115 -5.590 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -11.784 -1.406 -5.414 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -11.011 -1.968 -6.915 1.00 2.25 H new ATOM 105 N TYR A 7 -9.557 2.355 -7.490 1.00 3.13 N ATOM 106 CA TYR A 7 -10.237 3.622 -7.776 1.00 3.41 C ATOM 107 C TYR A 7 -10.954 3.546 -9.121 1.00 3.42 C ATOM 108 O TYR A 7 -12.051 4.067 -9.301 1.00 3.50 O ATOM 109 CB TYR A 7 -9.232 4.776 -7.832 1.00 3.74 C ATOM 110 CG TYR A 7 -8.770 5.292 -6.492 1.00 3.86 C ATOM 111 CD1 TYR A 7 -9.672 5.878 -5.615 1.00 3.98 C ATOM 112 CD2 TYR A 7 -7.446 5.167 -6.090 1.00 3.89 C ATOM 113 CE1 TYR A 7 -9.270 6.334 -4.377 1.00 4.16 C ATOM 114 CE2 TYR A 7 -7.037 5.616 -4.847 1.00 4.04 C ATOM 115 CZ TYR A 7 -7.886 6.288 -4.053 1.00 4.20 C ATOM 116 OH TYR A 7 -7.549 6.645 -2.760 1.00 4.39 O ATOM 0 H TYR A 7 -8.540 2.429 -7.454 1.00 3.13 H new ATOM 0 HA TYR A 7 -10.956 3.799 -6.976 1.00 3.41 H new ATOM 0 HB2 TYR A 7 -8.360 4.449 -8.398 1.00 3.74 H new ATOM 0 HB3 TYR A 7 -9.681 5.601 -8.386 1.00 3.74 H new ATOM 0 HD1 TYR A 7 -10.707 5.979 -5.907 1.00 3.98 H new ATOM 0 HD2 TYR A 7 -6.727 4.714 -6.756 1.00 3.89 H new ATOM 0 HE1 TYR A 7 -9.990 6.717 -3.669 1.00 4.16 H new ATOM 0 HE2 TYR A 7 -6.028 5.425 -4.513 1.00 4.04 H new ATOM 0 HH TYR A 7 -6.578 6.578 -2.645 1.00 4.39 H new ATOM 126 N ASP A 8 -10.303 2.857 -10.044 1.00 3.37 N ATOM 127 CA ASP A 8 -10.776 2.686 -11.410 1.00 3.45 C ATOM 128 C ASP A 8 -12.049 1.874 -11.414 1.00 3.21 C ATOM 129 O ASP A 8 -13.022 2.222 -12.082 1.00 3.31 O ATOM 130 CB ASP A 8 -9.693 1.995 -12.254 1.00 3.49 C ATOM 131 CG ASP A 8 -8.529 2.902 -12.600 1.00 3.79 C ATOM 132 OD1 ASP A 8 -8.723 3.881 -13.349 1.00 4.13 O ATOM 133 OD2 ASP A 8 -7.404 2.622 -12.131 1.00 3.72 O ATOM 0 H ASP A 8 -9.414 2.392 -9.862 1.00 3.37 H new ATOM 0 HA ASP A 8 -10.985 3.663 -11.845 1.00 3.45 H new ATOM 0 HB2 ASP A 8 -9.319 1.127 -11.711 1.00 3.49 H new ATOM 0 HB3 ASP A 8 -10.142 1.625 -13.176 1.00 3.49 H new ATOM 138 N VAL A 9 -12.043 0.799 -10.640 1.00 2.91 N ATOM 139 CA VAL A 9 -13.191 -0.068 -10.550 1.00 2.70 C ATOM 140 C VAL A 9 -14.312 0.656 -9.842 1.00 2.72 C ATOM 141 O VAL A 9 -15.465 0.596 -10.242 1.00 2.70 O ATOM 142 CB VAL A 9 -12.848 -1.354 -9.786 1.00 2.43 C ATOM 143 CG1 VAL A 9 -14.080 -2.205 -9.603 1.00 2.28 C ATOM 144 CG2 VAL A 9 -11.766 -2.135 -10.508 1.00 2.45 C ATOM 0 H VAL A 9 -11.250 0.512 -10.067 1.00 2.91 H new ATOM 0 HA VAL A 9 -13.501 -0.339 -11.559 1.00 2.70 H new ATOM 0 HB VAL A 9 -12.470 -1.076 -8.802 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -13.818 -3.113 -9.059 1.00 2.28 H new ATOM 0 HG12 VAL A 9 -14.827 -1.647 -9.039 1.00 2.28 H new ATOM 0 HG13 VAL A 9 -14.487 -2.471 -10.579 1.00 2.28 H new ATOM 0 HG21 VAL A 9 -11.538 -3.043 -9.949 1.00 2.45 H new ATOM 0 HG22 VAL A 9 -12.114 -2.401 -11.506 1.00 2.45 H new ATOM 0 HG23 VAL A 9 -10.868 -1.523 -10.588 1.00 2.45 H new ATOM 154 N ALA A 10 -13.935 1.356 -8.794 1.00 2.80 N ATOM 155 CA ALA A 10 -14.876 2.111 -7.979 1.00 2.91 C ATOM 156 C ALA A 10 -15.643 3.126 -8.807 1.00 3.14 C ATOM 157 O ALA A 10 -16.875 3.191 -8.745 1.00 3.12 O ATOM 158 CB ALA A 10 -14.116 2.792 -6.859 1.00 3.09 C ATOM 0 H ALA A 10 -12.967 1.421 -8.478 1.00 2.80 H new ATOM 0 HA ALA A 10 -15.612 1.425 -7.560 1.00 2.91 H new ATOM 0 HB1 ALA A 10 -14.811 3.361 -6.241 1.00 3.09 H new ATOM 0 HB2 ALA A 10 -13.619 2.040 -6.247 1.00 3.09 H new ATOM 0 HB3 ALA A 10 -13.371 3.466 -7.282 1.00 3.09 H new ATOM 164 N GLU A 11 -14.924 3.874 -9.617 1.00 3.37 N ATOM 165 CA GLU A 11 -15.549 4.891 -10.448 1.00 3.64 C ATOM 166 C GLU A 11 -16.393 4.224 -11.521 1.00 3.52 C ATOM 167 O GLU A 11 -17.551 4.587 -11.732 1.00 3.57 O ATOM 168 CB GLU A 11 -14.502 5.823 -11.068 1.00 3.95 C ATOM 169 CG GLU A 11 -13.931 6.838 -10.086 1.00 4.31 C ATOM 170 CD GLU A 11 -14.987 7.764 -9.506 1.00 4.89 C ATOM 171 OE1 GLU A 11 -15.678 8.453 -10.291 1.00 5.24 O ATOM 172 OE2 GLU A 11 -15.133 7.804 -8.264 1.00 5.23 O ATOM 0 H GLU A 11 -13.912 3.801 -9.720 1.00 3.37 H new ATOM 0 HA GLU A 11 -16.196 5.506 -9.822 1.00 3.64 H new ATOM 0 HB2 GLU A 11 -13.687 5.222 -11.472 1.00 3.95 H new ATOM 0 HB3 GLU A 11 -14.952 6.355 -11.906 1.00 3.95 H new ATOM 0 HG2 GLU A 11 -13.434 6.309 -9.273 1.00 4.31 H new ATOM 0 HG3 GLU A 11 -13.170 7.434 -10.590 1.00 4.31 H new ATOM 179 N TYR A 12 -15.796 3.250 -12.192 1.00 3.40 N ATOM 180 CA TYR A 12 -16.463 2.500 -13.245 1.00 3.35 C ATOM 181 C TYR A 12 -17.708 1.777 -12.718 1.00 3.08 C ATOM 182 O TYR A 12 -18.651 1.527 -13.470 1.00 3.11 O ATOM 183 CB TYR A 12 -15.485 1.487 -13.840 1.00 3.31 C ATOM 184 CG TYR A 12 -16.003 0.752 -15.051 1.00 3.39 C ATOM 185 CD1 TYR A 12 -16.264 1.440 -16.221 1.00 3.70 C ATOM 186 CD2 TYR A 12 -16.247 -0.614 -15.024 1.00 3.19 C ATOM 187 CE1 TYR A 12 -16.749 0.801 -17.335 1.00 3.82 C ATOM 188 CE2 TYR A 12 -16.737 -1.270 -16.139 1.00 3.34 C ATOM 189 CZ TYR A 12 -16.921 -0.646 -17.269 1.00 3.64 C ATOM 190 OH TYR A 12 -17.484 -1.204 -18.406 1.00 3.82 O ATOM 0 H TYR A 12 -14.834 2.957 -12.021 1.00 3.40 H new ATOM 0 HA TYR A 12 -16.787 3.201 -14.014 1.00 3.35 H new ATOM 0 HB2 TYR A 12 -14.565 2.005 -14.112 1.00 3.31 H new ATOM 0 HB3 TYR A 12 -15.225 0.758 -13.072 1.00 3.31 H new ATOM 0 HD1 TYR A 12 -16.082 2.504 -16.260 1.00 3.70 H new ATOM 0 HD2 TYR A 12 -16.052 -1.172 -14.120 1.00 3.19 H new ATOM 0 HE1 TYR A 12 -16.995 1.352 -18.231 1.00 3.82 H new ATOM 0 HE2 TYR A 12 -16.972 -2.322 -16.072 1.00 3.34 H new ATOM 0 HH TYR A 12 -17.152 -2.119 -18.520 1.00 3.82 H new ATOM 200 N ALA A 13 -17.717 1.444 -11.426 1.00 2.87 N ATOM 201 CA ALA A 13 -18.855 0.747 -10.840 1.00 2.66 C ATOM 202 C ALA A 13 -19.905 1.755 -10.405 1.00 2.78 C ATOM 203 O ALA A 13 -21.101 1.467 -10.366 1.00 2.70 O ATOM 204 CB ALA A 13 -18.410 -0.060 -9.643 1.00 2.47 C ATOM 0 H ALA A 13 -16.957 1.644 -10.775 1.00 2.87 H new ATOM 0 HA ALA A 13 -19.279 0.076 -11.587 1.00 2.66 H new ATOM 0 HB1 ALA A 13 -19.268 -0.577 -9.213 1.00 2.47 H new ATOM 0 HB2 ALA A 13 -17.665 -0.792 -9.954 1.00 2.47 H new ATOM 0 HB3 ALA A 13 -17.976 0.605 -8.897 1.00 2.47 H new ATOM 210 N GLY A 14 -19.431 2.946 -10.082 1.00 3.02 N ATOM 211 CA GLY A 14 -20.301 4.017 -9.668 1.00 3.22 C ATOM 212 C GLY A 14 -20.512 4.000 -8.183 1.00 3.21 C ATOM 213 O GLY A 14 -21.586 4.339 -7.683 1.00 3.28 O ATOM 0 H GLY A 14 -18.441 3.190 -10.101 1.00 3.02 H new ATOM 0 HA2 GLY A 14 -19.872 4.974 -9.966 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -21.261 3.926 -10.176 1.00 3.22 H new ATOM 217 N VAL A 15 -19.466 3.602 -7.489 1.00 3.16 N ATOM 218 CA VAL A 15 -19.479 3.482 -6.044 1.00 3.22 C ATOM 219 C VAL A 15 -18.189 4.011 -5.460 1.00 3.39 C ATOM 220 O VAL A 15 -17.148 3.944 -6.107 1.00 3.33 O ATOM 221 CB VAL A 15 -19.672 2.029 -5.622 1.00 2.96 C ATOM 222 CG1 VAL A 15 -21.116 1.633 -5.770 1.00 2.89 C ATOM 223 CG2 VAL A 15 -18.810 1.144 -6.475 1.00 2.72 C ATOM 0 H VAL A 15 -18.574 3.350 -7.915 1.00 3.16 H new ATOM 0 HA VAL A 15 -20.314 4.072 -5.666 1.00 3.22 H new ATOM 0 HB VAL A 15 -19.385 1.918 -4.576 1.00 2.96 H new ATOM 0 HG11 VAL A 15 -21.241 0.594 -5.466 1.00 2.89 H new ATOM 0 HG12 VAL A 15 -21.735 2.272 -5.141 1.00 2.89 H new ATOM 0 HG13 VAL A 15 -21.419 1.745 -6.811 1.00 2.89 H new ATOM 0 HG21 VAL A 15 -18.946 0.105 -6.175 1.00 2.72 H new ATOM 0 HG22 VAL A 15 -19.093 1.260 -7.521 1.00 2.72 H new ATOM 0 HG23 VAL A 15 -17.764 1.424 -6.349 1.00 2.72 H new ATOM 233 N SER A 16 -18.257 4.575 -4.269 1.00 3.63 N ATOM 234 CA SER A 16 -17.067 5.122 -3.645 1.00 3.82 C ATOM 235 C SER A 16 -15.976 4.064 -3.553 1.00 3.58 C ATOM 236 O SER A 16 -16.251 2.873 -3.392 1.00 3.34 O ATOM 237 CB SER A 16 -17.382 5.690 -2.267 1.00 4.13 C ATOM 238 OG SER A 16 -18.550 6.488 -2.308 1.00 4.34 O ATOM 0 H SER A 16 -19.112 4.666 -3.720 1.00 3.63 H new ATOM 0 HA SER A 16 -16.704 5.938 -4.270 1.00 3.82 H new ATOM 0 HB2 SER A 16 -17.517 4.876 -1.555 1.00 4.13 H new ATOM 0 HB3 SER A 16 -16.541 6.286 -1.913 1.00 4.13 H new ATOM 0 HG SER A 16 -18.736 6.842 -1.413 1.00 4.34 H new ATOM 244 N TYR A 17 -14.752 4.524 -3.660 1.00 3.68 N ATOM 245 CA TYR A 17 -13.572 3.671 -3.613 1.00 3.49 C ATOM 246 C TYR A 17 -13.581 2.740 -2.412 1.00 3.42 C ATOM 247 O TYR A 17 -13.427 1.526 -2.543 1.00 3.16 O ATOM 248 CB TYR A 17 -12.355 4.569 -3.536 1.00 3.71 C ATOM 249 CG TYR A 17 -11.103 3.815 -3.261 1.00 3.56 C ATOM 250 CD1 TYR A 17 -10.541 2.984 -4.215 1.00 3.31 C ATOM 251 CD2 TYR A 17 -10.482 3.941 -2.042 1.00 3.69 C ATOM 252 CE1 TYR A 17 -9.384 2.295 -3.950 1.00 3.18 C ATOM 253 CE2 TYR A 17 -9.335 3.265 -1.766 1.00 3.55 C ATOM 254 CZ TYR A 17 -8.793 2.398 -2.784 1.00 3.28 C ATOM 255 OH TYR A 17 -7.630 1.758 -2.440 1.00 3.16 O ATOM 0 H TYR A 17 -14.537 5.513 -3.784 1.00 3.68 H new ATOM 0 HA TYR A 17 -13.558 3.046 -4.506 1.00 3.49 H new ATOM 0 HB2 TYR A 17 -12.249 5.112 -4.475 1.00 3.71 H new ATOM 0 HB3 TYR A 17 -12.506 5.313 -2.754 1.00 3.71 H new ATOM 0 HD1 TYR A 17 -11.018 2.877 -5.178 1.00 3.31 H new ATOM 0 HD2 TYR A 17 -10.912 4.587 -1.291 1.00 3.69 H new ATOM 0 HE1 TYR A 17 -8.955 1.660 -4.711 1.00 3.18 H new ATOM 0 HE2 TYR A 17 -8.843 3.374 -0.811 1.00 3.55 H new ATOM 0 HH TYR A 17 -7.387 1.993 -1.520 1.00 3.16 H new ATOM 265 N GLN A 18 -13.780 3.330 -1.253 1.00 3.70 N ATOM 266 CA GLN A 18 -13.811 2.595 0.008 1.00 3.76 C ATOM 267 C GLN A 18 -14.913 1.534 0.019 1.00 3.60 C ATOM 268 O GLN A 18 -14.783 0.505 0.679 1.00 3.59 O ATOM 269 CB GLN A 18 -13.996 3.573 1.168 1.00 4.16 C ATOM 270 CG GLN A 18 -14.453 4.954 0.729 1.00 4.57 C ATOM 271 CD GLN A 18 -15.067 5.749 1.854 1.00 5.01 C ATOM 272 OE1 GLN A 18 -14.370 6.438 2.591 1.00 5.50 O ATOM 273 NE2 GLN A 18 -16.381 5.665 1.986 1.00 5.22 N ATOM 0 H GLN A 18 -13.926 4.334 -1.151 1.00 3.70 H new ATOM 0 HA GLN A 18 -12.860 2.074 0.121 1.00 3.76 H new ATOM 0 HB2 GLN A 18 -14.725 3.162 1.866 1.00 4.16 H new ATOM 0 HB3 GLN A 18 -13.054 3.665 1.709 1.00 4.16 H new ATOM 0 HG2 GLN A 18 -13.602 5.502 0.324 1.00 4.57 H new ATOM 0 HG3 GLN A 18 -15.179 4.853 -0.077 1.00 4.57 H new ATOM 0 HE21 GLN A 18 -16.921 5.079 1.349 1.00 5.22 H new ATOM 0 HE22 GLN A 18 -16.854 6.186 2.724 1.00 5.22 H new ATOM 282 N THR A 19 -15.985 1.784 -0.723 1.00 3.52 N ATOM 283 CA THR A 19 -17.099 0.857 -0.802 1.00 3.39 C ATOM 284 C THR A 19 -16.666 -0.449 -1.449 1.00 3.07 C ATOM 285 O THR A 19 -16.691 -1.499 -0.812 1.00 3.08 O ATOM 286 CB THR A 19 -18.252 1.484 -1.616 1.00 3.36 C ATOM 287 OG1 THR A 19 -18.425 2.851 -1.219 1.00 3.65 O ATOM 288 CG2 THR A 19 -19.547 0.726 -1.417 1.00 3.31 C ATOM 0 H THR A 19 -16.103 2.629 -1.282 1.00 3.52 H new ATOM 0 HA THR A 19 -17.444 0.648 0.211 1.00 3.39 H new ATOM 0 HB THR A 19 -17.992 1.431 -2.673 1.00 3.36 H new ATOM 0 HG1 THR A 19 -19.155 3.252 -1.735 1.00 3.65 H new ATOM 0 HG21 THR A 19 -20.337 1.195 -2.004 1.00 3.31 H new ATOM 0 HG22 THR A 19 -19.418 -0.307 -1.741 1.00 3.31 H new ATOM 0 HG23 THR A 19 -19.820 0.743 -0.362 1.00 3.31 H new ATOM 296 N VAL A 20 -16.219 -0.369 -2.698 1.00 2.85 N ATOM 297 CA VAL A 20 -15.800 -1.553 -3.434 1.00 2.58 C ATOM 298 C VAL A 20 -14.519 -2.150 -2.861 1.00 2.57 C ATOM 299 O VAL A 20 -14.305 -3.362 -2.934 1.00 2.46 O ATOM 300 CB VAL A 20 -15.672 -1.275 -4.954 1.00 2.42 C ATOM 301 CG1 VAL A 20 -16.033 0.157 -5.277 1.00 2.61 C ATOM 302 CG2 VAL A 20 -14.295 -1.577 -5.510 1.00 2.31 C ATOM 0 H VAL A 20 -16.138 0.503 -3.220 1.00 2.85 H new ATOM 0 HA VAL A 20 -16.586 -2.298 -3.311 1.00 2.58 H new ATOM 0 HB VAL A 20 -16.375 -1.956 -5.433 1.00 2.42 H new ATOM 0 HG11 VAL A 20 -15.934 0.324 -6.350 1.00 2.61 H new ATOM 0 HG12 VAL A 20 -17.062 0.350 -4.973 1.00 2.61 H new ATOM 0 HG13 VAL A 20 -15.364 0.831 -4.742 1.00 2.61 H new ATOM 0 HG21 VAL A 20 -14.278 -1.360 -6.578 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -13.554 -0.960 -5.002 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -14.061 -2.630 -5.350 1.00 2.31 H new ATOM 312 N SER A 21 -13.673 -1.305 -2.294 1.00 2.73 N ATOM 313 CA SER A 21 -12.438 -1.772 -1.680 1.00 2.74 C ATOM 314 C SER A 21 -12.770 -2.786 -0.590 1.00 2.85 C ATOM 315 O SER A 21 -12.198 -3.878 -0.534 1.00 2.78 O ATOM 316 CB SER A 21 -11.648 -0.592 -1.097 1.00 2.97 C ATOM 317 OG SER A 21 -10.476 -1.024 -0.425 1.00 3.19 O ATOM 0 H SER A 21 -13.817 -0.296 -2.246 1.00 2.73 H new ATOM 0 HA SER A 21 -11.817 -2.250 -2.438 1.00 2.74 H new ATOM 0 HB2 SER A 21 -11.375 0.094 -1.899 1.00 2.97 H new ATOM 0 HB3 SER A 21 -12.281 -0.038 -0.404 1.00 2.97 H new ATOM 0 HG SER A 21 -9.998 -0.246 -0.068 1.00 3.19 H new ATOM 323 N ARG A 22 -13.735 -2.426 0.243 1.00 3.06 N ATOM 324 CA ARG A 22 -14.186 -3.273 1.324 1.00 3.25 C ATOM 325 C ARG A 22 -14.934 -4.469 0.758 1.00 3.12 C ATOM 326 O ARG A 22 -14.931 -5.552 1.337 1.00 3.25 O ATOM 327 CB ARG A 22 -15.064 -2.442 2.267 1.00 3.54 C ATOM 328 CG ARG A 22 -16.121 -3.234 3.002 1.00 3.73 C ATOM 329 CD ARG A 22 -16.978 -2.335 3.877 1.00 3.83 C ATOM 330 NE ARG A 22 -17.474 -3.049 5.060 1.00 3.92 N ATOM 331 CZ ARG A 22 -17.929 -2.459 6.168 1.00 4.17 C ATOM 332 NH1 ARG A 22 -18.026 -1.134 6.232 1.00 4.31 N ATOM 333 NH2 ARG A 22 -18.298 -3.200 7.210 1.00 4.44 N ATOM 0 H ARG A 22 -14.226 -1.534 0.183 1.00 3.06 H new ATOM 0 HA ARG A 22 -13.339 -3.657 1.892 1.00 3.25 H new ATOM 0 HB2 ARG A 22 -14.424 -1.949 2.998 1.00 3.54 H new ATOM 0 HB3 ARG A 22 -15.552 -1.657 1.690 1.00 3.54 H new ATOM 0 HG2 ARG A 22 -16.753 -3.755 2.283 1.00 3.73 H new ATOM 0 HG3 ARG A 22 -15.644 -3.996 3.618 1.00 3.73 H new ATOM 0 HD2 ARG A 22 -16.395 -1.469 4.191 1.00 3.83 H new ATOM 0 HD3 ARG A 22 -17.821 -1.959 3.298 1.00 3.83 H new ATOM 0 HE ARG A 22 -17.471 -4.069 5.034 1.00 3.92 H new ATOM 0 HH11 ARG A 22 -17.752 -0.563 5.432 1.00 4.31 H new ATOM 0 HH12 ARG A 22 -18.374 -0.689 7.081 1.00 4.31 H new ATOM 0 HH21 ARG A 22 -18.233 -4.217 7.161 1.00 4.44 H new ATOM 0 HH22 ARG A 22 -18.646 -2.751 8.057 1.00 4.44 H new ATOM 347 N VAL A 23 -15.529 -4.267 -0.408 1.00 2.91 N ATOM 348 CA VAL A 23 -16.282 -5.304 -1.085 1.00 2.82 C ATOM 349 C VAL A 23 -15.338 -6.435 -1.478 1.00 2.72 C ATOM 350 O VAL A 23 -15.611 -7.606 -1.219 1.00 2.86 O ATOM 351 CB VAL A 23 -16.991 -4.743 -2.341 1.00 2.62 C ATOM 352 CG1 VAL A 23 -17.502 -5.855 -3.225 1.00 2.56 C ATOM 353 CG2 VAL A 23 -18.134 -3.810 -1.961 1.00 2.76 C ATOM 0 H VAL A 23 -15.502 -3.379 -0.909 1.00 2.91 H new ATOM 0 HA VAL A 23 -17.048 -5.682 -0.408 1.00 2.82 H new ATOM 0 HB VAL A 23 -16.250 -4.171 -2.900 1.00 2.62 H new ATOM 0 HG11 VAL A 23 -17.995 -5.428 -4.098 1.00 2.56 H new ATOM 0 HG12 VAL A 23 -16.667 -6.477 -3.547 1.00 2.56 H new ATOM 0 HG13 VAL A 23 -18.214 -6.464 -2.668 1.00 2.56 H new ATOM 0 HG21 VAL A 23 -18.612 -3.433 -2.865 1.00 2.76 H new ATOM 0 HG22 VAL A 23 -18.866 -4.355 -1.365 1.00 2.76 H new ATOM 0 HG23 VAL A 23 -17.744 -2.974 -1.381 1.00 2.76 H new ATOM 363 N VAL A 24 -14.211 -6.062 -2.082 1.00 2.54 N ATOM 364 CA VAL A 24 -13.201 -7.028 -2.500 1.00 2.46 C ATOM 365 C VAL A 24 -12.594 -7.742 -1.290 1.00 2.68 C ATOM 366 O VAL A 24 -12.078 -8.857 -1.400 1.00 2.72 O ATOM 367 CB VAL A 24 -12.075 -6.341 -3.322 1.00 2.28 C ATOM 368 CG1 VAL A 24 -10.933 -7.304 -3.607 1.00 2.42 C ATOM 369 CG2 VAL A 24 -12.622 -5.778 -4.627 1.00 2.15 C ATOM 0 H VAL A 24 -13.975 -5.092 -2.293 1.00 2.54 H new ATOM 0 HA VAL A 24 -13.696 -7.764 -3.133 1.00 2.46 H new ATOM 0 HB VAL A 24 -11.687 -5.518 -2.721 1.00 2.28 H new ATOM 0 HG11 VAL A 24 -10.162 -6.793 -4.183 1.00 2.42 H new ATOM 0 HG12 VAL A 24 -10.510 -7.655 -2.666 1.00 2.42 H new ATOM 0 HG13 VAL A 24 -11.308 -8.155 -4.176 1.00 2.42 H new ATOM 0 HG21 VAL A 24 -11.815 -5.302 -5.185 1.00 2.15 H new ATOM 0 HG22 VAL A 24 -13.047 -6.586 -5.222 1.00 2.15 H new ATOM 0 HG23 VAL A 24 -13.396 -5.042 -4.410 1.00 2.15 H new ATOM 508 N THR A 34 -24.663 -2.810 -5.699 1.00 2.54 N ATOM 509 CA THR A 34 -23.323 -2.292 -5.565 1.00 2.50 C ATOM 510 C THR A 34 -22.288 -3.381 -5.789 1.00 2.40 C ATOM 511 O THR A 34 -21.302 -3.168 -6.485 1.00 2.28 O ATOM 512 CB THR A 34 -23.121 -1.627 -4.202 1.00 2.73 C ATOM 513 OG1 THR A 34 -23.860 -0.403 -4.176 1.00 2.86 O ATOM 514 CG2 THR A 34 -21.652 -1.352 -3.938 1.00 2.75 C ATOM 0 HA THR A 34 -23.187 -1.533 -6.335 1.00 2.50 H new ATOM 0 HB THR A 34 -23.477 -2.300 -3.422 1.00 2.73 H new ATOM 0 HG1 THR A 34 -23.740 0.033 -3.306 1.00 2.86 H new ATOM 0 HG21 THR A 34 -21.540 -0.879 -2.962 1.00 2.75 H new ATOM 0 HG22 THR A 34 -21.098 -2.291 -3.952 1.00 2.75 H new ATOM 0 HG23 THR A 34 -21.262 -0.688 -4.710 1.00 2.75 H new ATOM 522 N ARG A 35 -22.547 -4.568 -5.263 1.00 2.51 N ATOM 523 CA ARG A 35 -21.600 -5.659 -5.390 1.00 2.50 C ATOM 524 C ARG A 35 -21.479 -6.103 -6.841 1.00 2.38 C ATOM 525 O ARG A 35 -20.385 -6.378 -7.325 1.00 2.33 O ATOM 526 CB ARG A 35 -22.006 -6.826 -4.492 1.00 2.77 C ATOM 527 CG ARG A 35 -21.459 -6.702 -3.080 1.00 2.94 C ATOM 528 CD ARG A 35 -22.393 -7.316 -2.052 1.00 3.35 C ATOM 529 NE ARG A 35 -22.728 -8.703 -2.371 1.00 3.39 N ATOM 530 CZ ARG A 35 -23.039 -9.626 -1.457 1.00 3.73 C ATOM 531 NH1 ARG A 35 -23.129 -9.299 -0.170 1.00 4.16 N ATOM 532 NH2 ARG A 35 -23.278 -10.877 -1.831 1.00 3.92 N ATOM 0 H ARG A 35 -23.398 -4.797 -4.749 1.00 2.51 H new ATOM 0 HA ARG A 35 -20.621 -5.305 -5.066 1.00 2.50 H new ATOM 0 HB2 ARG A 35 -23.094 -6.886 -4.451 1.00 2.77 H new ATOM 0 HB3 ARG A 35 -21.652 -7.758 -4.933 1.00 2.77 H new ATOM 0 HG2 ARG A 35 -20.486 -7.191 -3.024 1.00 2.94 H new ATOM 0 HG3 ARG A 35 -21.301 -5.650 -2.844 1.00 2.94 H new ATOM 0 HD2 ARG A 35 -21.926 -7.274 -1.068 1.00 3.35 H new ATOM 0 HD3 ARG A 35 -23.308 -6.726 -1.996 1.00 3.35 H new ATOM 0 HE ARG A 35 -22.724 -8.983 -3.352 1.00 3.39 H new ATOM 0 HH11 ARG A 35 -22.960 -8.337 0.125 1.00 4.16 H new ATOM 0 HH12 ARG A 35 -23.367 -10.010 0.521 1.00 4.16 H new ATOM 0 HH21 ARG A 35 -23.224 -11.134 -2.817 1.00 3.92 H new ATOM 0 HH22 ARG A 35 -23.515 -11.582 -1.133 1.00 3.92 H new ATOM 546 N GLU A 36 -22.608 -6.150 -7.535 1.00 2.39 N ATOM 547 CA GLU A 36 -22.627 -6.546 -8.936 1.00 2.38 C ATOM 548 C GLU A 36 -21.938 -5.486 -9.782 1.00 2.27 C ATOM 549 O GLU A 36 -21.309 -5.794 -10.788 1.00 2.33 O ATOM 550 CB GLU A 36 -24.060 -6.774 -9.435 1.00 2.47 C ATOM 551 CG GLU A 36 -24.964 -5.570 -9.252 1.00 2.59 C ATOM 552 CD GLU A 36 -26.181 -5.587 -10.158 1.00 3.03 C ATOM 553 OE1 GLU A 36 -27.101 -6.399 -9.910 1.00 3.55 O ATOM 554 OE2 GLU A 36 -26.221 -4.803 -11.125 1.00 3.21 O ATOM 0 H GLU A 36 -23.524 -5.918 -7.150 1.00 2.39 H new ATOM 0 HA GLU A 36 -22.089 -7.489 -9.029 1.00 2.38 H new ATOM 0 HB2 GLU A 36 -24.030 -7.039 -10.492 1.00 2.47 H new ATOM 0 HB3 GLU A 36 -24.489 -7.624 -8.906 1.00 2.47 H new ATOM 0 HG2 GLU A 36 -25.294 -5.527 -8.214 1.00 2.59 H new ATOM 0 HG3 GLU A 36 -24.391 -4.662 -9.442 1.00 2.59 H new ATOM 561 N LYS A 37 -22.043 -4.234 -9.348 1.00 2.21 N ATOM 562 CA LYS A 37 -21.440 -3.126 -10.068 1.00 2.23 C ATOM 563 C LYS A 37 -19.930 -3.140 -9.901 1.00 2.19 C ATOM 564 O LYS A 37 -19.200 -2.963 -10.872 1.00 2.26 O ATOM 565 CB LYS A 37 -22.023 -1.791 -9.602 1.00 2.31 C ATOM 566 CG LYS A 37 -23.112 -1.261 -10.523 1.00 2.44 C ATOM 567 CD LYS A 37 -24.277 -0.672 -9.742 1.00 2.48 C ATOM 568 CE LYS A 37 -23.917 0.657 -9.101 1.00 2.57 C ATOM 569 NZ LYS A 37 -23.806 1.743 -10.114 1.00 2.84 N ATOM 0 H LYS A 37 -22.541 -3.965 -8.500 1.00 2.21 H new ATOM 0 HA LYS A 37 -21.670 -3.243 -11.127 1.00 2.23 H new ATOM 0 HB2 LYS A 37 -22.431 -1.910 -8.598 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -21.222 -1.055 -9.535 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -22.693 -0.499 -11.180 1.00 2.44 H new ATOM 0 HG3 LYS A 37 -23.473 -2.068 -11.161 1.00 2.44 H new ATOM 0 HD2 LYS A 37 -25.128 -0.534 -10.409 1.00 2.48 H new ATOM 0 HD3 LYS A 37 -24.588 -1.375 -8.969 1.00 2.48 H new ATOM 0 HE2 LYS A 37 -24.674 0.923 -8.364 1.00 2.57 H new ATOM 0 HE3 LYS A 37 -22.972 0.560 -8.566 1.00 2.57 H new ATOM 0 HZ1 LYS A 37 -24.145 2.636 -9.704 1.00 2.84 H new ATOM 0 HZ2 LYS A 37 -22.812 1.849 -10.401 1.00 2.84 H new ATOM 0 HZ3 LYS A 37 -24.383 1.503 -10.945 1.00 2.84 H new ATOM 583 N VAL A 38 -19.460 -3.363 -8.675 1.00 2.13 N ATOM 584 CA VAL A 38 -18.022 -3.417 -8.423 1.00 2.10 C ATOM 585 C VAL A 38 -17.443 -4.621 -9.158 1.00 2.10 C ATOM 586 O VAL A 38 -16.405 -4.525 -9.811 1.00 2.14 O ATOM 587 CB VAL A 38 -17.685 -3.490 -6.920 1.00 2.11 C ATOM 588 CG1 VAL A 38 -18.527 -2.499 -6.141 1.00 2.26 C ATOM 589 CG2 VAL A 38 -17.856 -4.886 -6.362 1.00 2.12 C ATOM 0 H VAL A 38 -20.044 -3.507 -7.852 1.00 2.13 H new ATOM 0 HA VAL A 38 -17.576 -2.493 -8.793 1.00 2.10 H new ATOM 0 HB VAL A 38 -16.633 -3.227 -6.811 1.00 2.11 H new ATOM 0 HG11 VAL A 38 -18.277 -2.563 -5.082 1.00 2.26 H new ATOM 0 HG12 VAL A 38 -18.327 -1.490 -6.501 1.00 2.26 H new ATOM 0 HG13 VAL A 38 -19.583 -2.731 -6.279 1.00 2.26 H new ATOM 0 HG21 VAL A 38 -17.607 -4.887 -5.301 1.00 2.12 H new ATOM 0 HG22 VAL A 38 -18.890 -5.206 -6.492 1.00 2.12 H new ATOM 0 HG23 VAL A 38 -17.194 -5.573 -6.890 1.00 2.12 H new ATOM 599 N GLU A 39 -18.145 -5.748 -9.049 1.00 2.16 N ATOM 600 CA GLU A 39 -17.757 -6.982 -9.712 1.00 2.30 C ATOM 601 C GLU A 39 -17.713 -6.757 -11.209 1.00 2.42 C ATOM 602 O GLU A 39 -16.766 -7.169 -11.872 1.00 2.56 O ATOM 603 CB GLU A 39 -18.725 -8.120 -9.376 1.00 2.46 C ATOM 604 CG GLU A 39 -18.271 -8.981 -8.206 1.00 2.53 C ATOM 605 CD GLU A 39 -19.122 -10.229 -8.025 1.00 2.89 C ATOM 606 OE1 GLU A 39 -19.472 -10.870 -9.042 1.00 3.12 O ATOM 607 OE2 GLU A 39 -19.457 -10.566 -6.867 1.00 3.27 O ATOM 0 H GLU A 39 -18.999 -5.826 -8.497 1.00 2.16 H new ATOM 0 HA GLU A 39 -16.768 -7.271 -9.356 1.00 2.30 H new ATOM 0 HB2 GLU A 39 -19.704 -7.698 -9.147 1.00 2.46 H new ATOM 0 HB3 GLU A 39 -18.848 -8.752 -10.255 1.00 2.46 H new ATOM 0 HG2 GLU A 39 -17.232 -9.274 -8.359 1.00 2.53 H new ATOM 0 HG3 GLU A 39 -18.304 -8.389 -7.291 1.00 2.53 H new ATOM 614 N ALA A 40 -18.739 -6.094 -11.737 1.00 2.42 N ATOM 615 CA ALA A 40 -18.775 -5.790 -13.156 1.00 2.60 C ATOM 616 C ALA A 40 -17.589 -4.925 -13.508 1.00 2.65 C ATOM 617 O ALA A 40 -16.792 -5.277 -14.366 1.00 2.86 O ATOM 618 CB ALA A 40 -20.055 -5.070 -13.547 1.00 2.61 C ATOM 0 H ALA A 40 -19.545 -5.762 -11.207 1.00 2.42 H new ATOM 0 HA ALA A 40 -18.739 -6.732 -13.704 1.00 2.60 H new ATOM 0 HB1 ALA A 40 -20.043 -4.861 -14.617 1.00 2.61 H new ATOM 0 HB2 ALA A 40 -20.913 -5.699 -13.310 1.00 2.61 H new ATOM 0 HB3 ALA A 40 -20.129 -4.133 -12.995 1.00 2.61 H new ATOM 624 N ALA A 41 -17.460 -3.806 -12.804 1.00 2.52 N ATOM 625 CA ALA A 41 -16.379 -2.874 -13.044 1.00 2.63 C ATOM 626 C ALA A 41 -15.005 -3.532 -13.055 1.00 2.66 C ATOM 627 O ALA A 41 -14.251 -3.372 -14.011 1.00 2.89 O ATOM 628 CB ALA A 41 -16.417 -1.796 -11.997 1.00 2.54 C ATOM 0 H ALA A 41 -18.098 -3.526 -12.059 1.00 2.52 H new ATOM 0 HA ALA A 41 -16.530 -2.456 -14.039 1.00 2.63 H new ATOM 0 HB1 ALA A 41 -15.605 -1.090 -12.172 1.00 2.54 H new ATOM 0 HB2 ALA A 41 -17.371 -1.272 -12.049 1.00 2.54 H new ATOM 0 HB3 ALA A 41 -16.302 -2.243 -11.010 1.00 2.54 H new ATOM 634 N MET A 42 -14.687 -4.288 -12.017 1.00 2.47 N ATOM 635 CA MET A 42 -13.392 -4.946 -11.946 1.00 2.49 C ATOM 636 C MET A 42 -13.268 -5.989 -13.049 1.00 2.73 C ATOM 637 O MET A 42 -12.186 -6.222 -13.564 1.00 2.88 O ATOM 638 CB MET A 42 -13.130 -5.565 -10.568 1.00 2.29 C ATOM 639 CG MET A 42 -14.133 -6.614 -10.153 1.00 2.26 C ATOM 640 SD MET A 42 -13.987 -7.042 -8.413 1.00 2.15 S ATOM 641 CE MET A 42 -14.197 -5.416 -7.704 1.00 2.02 C ATOM 0 H MET A 42 -15.300 -4.460 -11.220 1.00 2.47 H new ATOM 0 HA MET A 42 -12.627 -4.184 -12.097 1.00 2.49 H new ATOM 0 HB2 MET A 42 -12.135 -6.011 -10.567 1.00 2.29 H new ATOM 0 HB3 MET A 42 -13.124 -4.770 -9.822 1.00 2.29 H new ATOM 0 HG2 MET A 42 -15.141 -6.250 -10.353 1.00 2.26 H new ATOM 0 HG3 MET A 42 -13.992 -7.509 -10.759 1.00 2.26 H new ATOM 0 HE1 MET A 42 -14.591 -5.508 -6.692 1.00 2.02 H new ATOM 0 HE2 MET A 42 -13.234 -4.905 -7.673 1.00 2.02 H new ATOM 0 HE3 MET A 42 -14.893 -4.840 -8.314 1.00 2.02 H new ATOM 651 N ALA A 43 -14.389 -6.605 -13.416 1.00 2.80 N ATOM 652 CA ALA A 43 -14.385 -7.642 -14.443 1.00 3.09 C ATOM 653 C ALA A 43 -14.129 -7.048 -15.820 1.00 3.36 C ATOM 654 O ALA A 43 -13.353 -7.589 -16.608 1.00 3.60 O ATOM 655 CB ALA A 43 -15.694 -8.415 -14.440 1.00 3.15 C ATOM 0 H ALA A 43 -15.307 -6.405 -13.019 1.00 2.80 H new ATOM 0 HA ALA A 43 -13.574 -8.333 -14.211 1.00 3.09 H new ATOM 0 HB1 ALA A 43 -15.666 -9.182 -15.214 1.00 3.15 H new ATOM 0 HB2 ALA A 43 -15.836 -8.886 -13.468 1.00 3.15 H new ATOM 0 HB3 ALA A 43 -16.520 -7.732 -14.636 1.00 3.15 H new ATOM 661 N GLU A 44 -14.783 -5.928 -16.098 1.00 3.34 N ATOM 662 CA GLU A 44 -14.644 -5.256 -17.383 1.00 3.63 C ATOM 663 C GLU A 44 -13.255 -4.671 -17.531 1.00 3.73 C ATOM 664 O GLU A 44 -12.618 -4.792 -18.577 1.00 4.02 O ATOM 665 CB GLU A 44 -15.660 -4.129 -17.494 1.00 3.61 C ATOM 666 CG GLU A 44 -17.072 -4.529 -17.129 1.00 3.44 C ATOM 667 CD GLU A 44 -17.799 -5.246 -18.252 1.00 3.74 C ATOM 668 OE1 GLU A 44 -18.045 -4.621 -19.309 1.00 3.86 O ATOM 669 OE2 GLU A 44 -18.118 -6.444 -18.088 1.00 4.09 O ATOM 0 H GLU A 44 -15.418 -5.464 -15.448 1.00 3.34 H new ATOM 0 HA GLU A 44 -14.814 -5.992 -18.169 1.00 3.63 H new ATOM 0 HB2 GLU A 44 -15.348 -3.309 -16.847 1.00 3.61 H new ATOM 0 HB3 GLU A 44 -15.655 -3.749 -18.516 1.00 3.61 H new ATOM 0 HG2 GLU A 44 -17.044 -5.175 -16.252 1.00 3.44 H new ATOM 0 HG3 GLU A 44 -17.635 -3.638 -16.851 1.00 3.44 H new ATOM 676 N LEU A 45 -12.791 -4.031 -16.470 1.00 3.50 N ATOM 677 CA LEU A 45 -11.469 -3.420 -16.474 1.00 3.59 C ATOM 678 C LEU A 45 -10.387 -4.462 -16.210 1.00 3.56 C ATOM 679 O LEU A 45 -9.205 -4.127 -16.160 1.00 3.63 O ATOM 680 CB LEU A 45 -11.375 -2.313 -15.416 1.00 3.41 C ATOM 681 CG LEU A 45 -12.583 -1.379 -15.312 1.00 3.38 C ATOM 682 CD1 LEU A 45 -12.255 -0.180 -14.434 1.00 3.36 C ATOM 683 CD2 LEU A 45 -13.052 -0.938 -16.690 1.00 3.71 C ATOM 0 H LEU A 45 -13.307 -3.920 -15.597 1.00 3.50 H new ATOM 0 HA LEU A 45 -11.313 -2.985 -17.461 1.00 3.59 H new ATOM 0 HB2 LEU A 45 -11.217 -2.780 -14.444 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -10.492 -1.710 -15.627 1.00 3.41 H new ATOM 0 HG LEU A 45 -13.401 -1.928 -14.846 1.00 3.38 H new ATOM 0 HD11 LEU A 45 -13.125 0.474 -14.371 1.00 3.36 H new ATOM 0 HD12 LEU A 45 -11.986 -0.523 -13.435 1.00 3.36 H new ATOM 0 HD13 LEU A 45 -11.419 0.370 -14.866 1.00 3.36 H new ATOM 0 HD21 LEU A 45 -13.911 -0.275 -16.587 1.00 3.71 H new ATOM 0 HD22 LEU A 45 -12.245 -0.410 -17.197 1.00 3.71 H new ATOM 0 HD23 LEU A 45 -13.337 -1.813 -17.275 1.00 3.71 H new ATOM 695 N ASN A 46 -10.812 -5.719 -16.039 1.00 3.49 N ATOM 696 CA ASN A 46 -9.905 -6.847 -15.762 1.00 3.50 C ATOM 697 C ASN A 46 -9.399 -6.773 -14.319 1.00 3.19 C ATOM 698 O ASN A 46 -9.511 -7.739 -13.565 1.00 3.08 O ATOM 699 CB ASN A 46 -8.732 -6.880 -16.756 1.00 3.80 C ATOM 700 CG ASN A 46 -7.698 -7.952 -16.440 1.00 3.84 C ATOM 701 OD1 ASN A 46 -6.501 -7.743 -16.634 1.00 4.18 O ATOM 702 ND2 ASN A 46 -8.145 -9.109 -15.974 1.00 3.81 N ATOM 0 H ASN A 46 -11.795 -5.987 -16.088 1.00 3.49 H new ATOM 0 HA ASN A 46 -10.464 -7.774 -15.889 1.00 3.50 H new ATOM 0 HB2 ASN A 46 -9.122 -7.047 -17.760 1.00 3.80 H new ATOM 0 HB3 ASN A 46 -8.243 -5.906 -16.762 1.00 3.80 H new ATOM 0 HD21 ASN A 46 -7.489 -9.862 -15.764 1.00 3.81 H new ATOM 0 HD22 ASN A 46 -9.145 -9.247 -15.825 1.00 3.81 H new ATOM 1030 N THR B 5 5.580 -9.422 4.973 1.00 2.76 N ATOM 1031 CA THR B 5 5.706 -8.133 4.329 1.00 2.63 C ATOM 1032 C THR B 5 7.166 -7.972 4.016 1.00 2.52 C ATOM 1033 O THR B 5 7.997 -8.626 4.641 1.00 2.57 O ATOM 1034 CB THR B 5 5.257 -6.950 5.218 1.00 2.87 C ATOM 1035 OG1 THR B 5 5.875 -7.027 6.505 1.00 3.17 O ATOM 1036 CG2 THR B 5 3.749 -6.906 5.368 1.00 2.93 C ATOM 0 HA THR B 5 5.062 -8.112 3.450 1.00 2.63 H new ATOM 0 HB THR B 5 5.574 -6.031 4.724 1.00 2.87 H new ATOM 0 HG1 THR B 5 5.636 -7.876 6.932 1.00 3.17 H new ATOM 0 HG21 THR B 5 3.471 -6.062 5.999 1.00 2.93 H new ATOM 0 HG22 THR B 5 3.289 -6.793 4.386 1.00 2.93 H new ATOM 0 HG23 THR B 5 3.402 -7.832 5.827 1.00 2.93 H new ATOM 1044 N LEU B 6 7.513 -7.149 3.056 1.00 2.40 N ATOM 1045 CA LEU B 6 8.924 -6.975 2.767 1.00 2.35 C ATOM 1046 C LEU B 6 9.635 -6.413 4.006 1.00 2.56 C ATOM 1047 O LEU B 6 10.847 -6.532 4.161 1.00 2.56 O ATOM 1048 CB LEU B 6 9.119 -6.125 1.528 1.00 2.33 C ATOM 1049 CG LEU B 6 9.830 -6.830 0.400 1.00 2.21 C ATOM 1050 CD1 LEU B 6 9.969 -5.911 -0.801 1.00 2.35 C ATOM 1051 CD2 LEU B 6 11.178 -7.337 0.875 1.00 2.15 C ATOM 0 H LEU B 6 6.870 -6.606 2.479 1.00 2.40 H new ATOM 0 HA LEU B 6 9.379 -7.940 2.542 1.00 2.35 H new ATOM 0 HB2 LEU B 6 8.144 -5.789 1.174 1.00 2.33 H new ATOM 0 HB3 LEU B 6 9.685 -5.233 1.798 1.00 2.33 H new ATOM 0 HG LEU B 6 9.238 -7.689 0.085 1.00 2.21 H new ATOM 0 HD11 LEU B 6 10.484 -6.437 -1.604 1.00 2.35 H new ATOM 0 HD12 LEU B 6 8.980 -5.607 -1.143 1.00 2.35 H new ATOM 0 HD13 LEU B 6 10.543 -5.028 -0.519 1.00 2.35 H new ATOM 0 HD21 LEU B 6 11.685 -7.845 0.055 1.00 2.15 H new ATOM 0 HD22 LEU B 6 11.785 -6.496 1.212 1.00 2.15 H new ATOM 0 HD23 LEU B 6 11.034 -8.035 1.700 1.00 2.15 H new ATOM 1063 N TYR B 7 8.833 -5.818 4.885 1.00 2.79 N ATOM 1064 CA TYR B 7 9.294 -5.272 6.164 1.00 3.08 C ATOM 1065 C TYR B 7 9.819 -6.395 7.052 1.00 3.12 C ATOM 1066 O TYR B 7 10.806 -6.249 7.766 1.00 3.25 O ATOM 1067 CB TYR B 7 8.126 -4.624 6.894 1.00 3.33 C ATOM 1068 CG TYR B 7 8.002 -3.130 6.756 1.00 3.53 C ATOM 1069 CD1 TYR B 7 9.145 -2.373 6.563 1.00 3.59 C ATOM 1070 CD2 TYR B 7 6.770 -2.473 6.784 1.00 3.70 C ATOM 1071 CE1 TYR B 7 9.078 -1.010 6.397 1.00 3.84 C ATOM 1072 CE2 TYR B 7 6.700 -1.105 6.622 1.00 3.93 C ATOM 1073 CZ TYR B 7 7.689 -0.381 6.580 1.00 4.03 C ATOM 1074 OH TYR B 7 7.780 0.977 6.253 1.00 4.28 O ATOM 0 H TYR B 7 7.832 -5.699 4.730 1.00 2.79 H new ATOM 0 HA TYR B 7 10.080 -4.544 5.963 1.00 3.08 H new ATOM 0 HB2 TYR B 7 7.203 -5.079 6.535 1.00 3.33 H new ATOM 0 HB3 TYR B 7 8.209 -4.864 7.954 1.00 3.33 H new ATOM 0 HD1 TYR B 7 10.107 -2.863 6.542 1.00 3.59 H new ATOM 0 HD2 TYR B 7 5.864 -3.041 6.934 1.00 3.70 H new ATOM 0 HE1 TYR B 7 9.948 -0.418 6.153 1.00 3.84 H new ATOM 0 HE2 TYR B 7 5.726 -0.649 6.527 1.00 3.93 H new ATOM 0 HH TYR B 7 6.902 1.399 6.362 1.00 4.28 H new ATOM 1084 N ASP B 8 9.113 -7.512 6.981 1.00 3.03 N ATOM 1085 CA ASP B 8 9.411 -8.710 7.754 1.00 3.14 C ATOM 1086 C ASP B 8 10.763 -9.251 7.349 1.00 2.96 C ATOM 1087 O ASP B 8 11.575 -9.629 8.195 1.00 3.10 O ATOM 1088 CB ASP B 8 8.305 -9.747 7.515 1.00 3.13 C ATOM 1089 CG ASP B 8 7.046 -9.449 8.301 1.00 3.41 C ATOM 1090 OD1 ASP B 8 7.128 -9.289 9.537 1.00 3.77 O ATOM 1091 OD2 ASP B 8 5.965 -9.365 7.678 1.00 3.29 O ATOM 0 H ASP B 8 8.301 -7.615 6.373 1.00 3.03 H new ATOM 0 HA ASP B 8 9.445 -8.475 8.818 1.00 3.14 H new ATOM 0 HB2 ASP B 8 8.066 -9.779 6.452 1.00 3.13 H new ATOM 0 HB3 ASP B 8 8.674 -10.735 7.789 1.00 3.13 H new ATOM 1096 N VAL B 9 11.004 -9.265 6.048 1.00 2.68 N ATOM 1097 CA VAL B 9 12.261 -9.733 5.512 1.00 2.52 C ATOM 1098 C VAL B 9 13.347 -8.756 5.897 1.00 2.58 C ATOM 1099 O VAL B 9 14.451 -9.132 6.272 1.00 2.60 O ATOM 1100 CB VAL B 9 12.200 -9.856 3.983 1.00 2.28 C ATOM 1101 CG1 VAL B 9 13.555 -10.222 3.418 1.00 2.17 C ATOM 1102 CG2 VAL B 9 11.162 -10.879 3.572 1.00 2.28 C ATOM 0 H VAL B 9 10.336 -8.954 5.343 1.00 2.68 H new ATOM 0 HA VAL B 9 12.473 -10.720 5.922 1.00 2.52 H new ATOM 0 HB VAL B 9 11.911 -8.887 3.577 1.00 2.28 H new ATOM 0 HG11 VAL B 9 13.487 -10.304 2.333 1.00 2.17 H new ATOM 0 HG12 VAL B 9 14.279 -9.450 3.679 1.00 2.17 H new ATOM 0 HG13 VAL B 9 13.877 -11.177 3.834 1.00 2.17 H new ATOM 0 HG21 VAL B 9 11.134 -10.952 2.485 1.00 2.28 H new ATOM 0 HG22 VAL B 9 11.421 -11.850 3.994 1.00 2.28 H new ATOM 0 HG23 VAL B 9 10.183 -10.572 3.941 1.00 2.28 H new ATOM 1112 N ALA B 10 12.988 -7.491 5.815 1.00 2.67 N ATOM 1113 CA ALA B 10 13.894 -6.398 6.133 1.00 2.84 C ATOM 1114 C ALA B 10 14.376 -6.486 7.567 1.00 3.09 C ATOM 1115 O ALA B 10 15.574 -6.402 7.842 1.00 3.13 O ATOM 1116 CB ALA B 10 13.185 -5.082 5.880 1.00 2.99 C ATOM 0 H ALA B 10 12.058 -7.188 5.526 1.00 2.67 H new ATOM 0 HA ALA B 10 14.774 -6.465 5.494 1.00 2.84 H new ATOM 0 HB1 ALA B 10 13.856 -4.256 6.116 1.00 2.99 H new ATOM 0 HB2 ALA B 10 12.891 -5.023 4.832 1.00 2.99 H new ATOM 0 HB3 ALA B 10 12.298 -5.020 6.510 1.00 2.99 H new ATOM 1122 N GLU B 11 13.438 -6.698 8.464 1.00 3.27 N ATOM 1123 CA GLU B 11 13.723 -6.801 9.876 1.00 3.56 C ATOM 1124 C GLU B 11 14.592 -8.013 10.130 1.00 3.49 C ATOM 1125 O GLU B 11 15.622 -7.936 10.798 1.00 3.61 O ATOM 1126 CB GLU B 11 12.414 -6.920 10.645 1.00 3.79 C ATOM 1127 CG GLU B 11 12.508 -6.459 12.080 1.00 4.20 C ATOM 1128 CD GLU B 11 13.123 -7.500 13.001 1.00 4.71 C ATOM 1129 OE1 GLU B 11 12.818 -8.701 12.834 1.00 5.21 O ATOM 1130 OE2 GLU B 11 13.917 -7.124 13.892 1.00 4.85 O ATOM 0 H GLU B 11 12.451 -6.804 8.231 1.00 3.27 H new ATOM 0 HA GLU B 11 14.255 -5.911 10.212 1.00 3.56 H new ATOM 0 HB2 GLU B 11 11.649 -6.335 10.134 1.00 3.79 H new ATOM 0 HB3 GLU B 11 12.086 -7.959 10.627 1.00 3.79 H new ATOM 0 HG2 GLU B 11 13.103 -5.547 12.124 1.00 4.20 H new ATOM 0 HG3 GLU B 11 11.511 -6.207 12.441 1.00 4.20 H new ATOM 1137 N TYR B 12 14.148 -9.133 9.589 1.00 3.31 N ATOM 1138 CA TYR B 12 14.849 -10.393 9.729 1.00 3.27 C ATOM 1139 C TYR B 12 16.260 -10.314 9.142 1.00 3.07 C ATOM 1140 O TYR B 12 17.168 -11.011 9.602 1.00 3.12 O ATOM 1141 CB TYR B 12 14.046 -11.489 9.039 1.00 3.15 C ATOM 1142 CG TYR B 12 14.590 -12.881 9.232 1.00 3.21 C ATOM 1143 CD1 TYR B 12 14.725 -13.448 10.492 1.00 3.52 C ATOM 1144 CD2 TYR B 12 14.950 -13.633 8.136 1.00 3.01 C ATOM 1145 CE1 TYR B 12 15.208 -14.735 10.643 1.00 3.62 C ATOM 1146 CE2 TYR B 12 15.433 -14.909 8.268 1.00 3.12 C ATOM 1147 CZ TYR B 12 15.561 -15.465 9.527 1.00 3.42 C ATOM 1148 OH TYR B 12 16.040 -16.748 9.672 1.00 3.57 O ATOM 0 H TYR B 12 13.290 -9.193 9.040 1.00 3.31 H new ATOM 0 HA TYR B 12 14.950 -10.623 10.790 1.00 3.27 H new ATOM 0 HB2 TYR B 12 13.021 -11.459 9.410 1.00 3.15 H new ATOM 0 HB3 TYR B 12 14.005 -11.274 7.971 1.00 3.15 H new ATOM 0 HD1 TYR B 12 14.449 -12.876 11.366 1.00 3.52 H new ATOM 0 HD2 TYR B 12 14.849 -13.207 7.149 1.00 3.01 H new ATOM 0 HE1 TYR B 12 15.308 -15.166 11.628 1.00 3.62 H new ATOM 0 HE2 TYR B 12 15.712 -15.477 7.393 1.00 3.12 H new ATOM 0 HH TYR B 12 15.647 -17.155 10.472 1.00 3.57 H new ATOM 1158 N ALA B 13 16.450 -9.453 8.144 1.00 2.88 N ATOM 1159 CA ALA B 13 17.753 -9.304 7.508 1.00 2.72 C ATOM 1160 C ALA B 13 18.591 -8.311 8.306 1.00 2.94 C ATOM 1161 O ALA B 13 19.829 -8.330 8.278 1.00 2.90 O ATOM 1162 CB ALA B 13 17.569 -8.828 6.085 1.00 2.52 C ATOM 0 H ALA B 13 15.721 -8.851 7.761 1.00 2.88 H new ATOM 0 HA ALA B 13 18.270 -10.263 7.488 1.00 2.72 H new ATOM 0 HB1 ALA B 13 18.544 -8.717 5.610 1.00 2.52 H new ATOM 0 HB2 ALA B 13 16.976 -9.556 5.531 1.00 2.52 H new ATOM 0 HB3 ALA B 13 17.054 -7.867 6.086 1.00 2.52 H new ATOM 1168 N GLY B 14 17.879 -7.427 8.999 1.00 3.18 N ATOM 1169 CA GLY B 14 18.502 -6.427 9.835 1.00 3.46 C ATOM 1170 C GLY B 14 18.813 -5.182 9.051 1.00 3.50 C ATOM 1171 O GLY B 14 19.813 -4.510 9.290 1.00 3.66 O ATOM 0 H GLY B 14 16.860 -7.390 8.992 1.00 3.18 H new ATOM 0 HA2 GLY B 14 17.842 -6.181 10.667 1.00 3.46 H new ATOM 0 HA3 GLY B 14 19.420 -6.828 10.265 1.00 3.46 H new ATOM 1175 N VAL B 15 17.947 -4.889 8.096 1.00 3.38 N ATOM 1176 CA VAL B 15 18.130 -3.760 7.187 1.00 3.45 C ATOM 1177 C VAL B 15 16.807 -3.053 6.858 1.00 3.53 C ATOM 1178 O VAL B 15 15.753 -3.682 6.923 1.00 3.41 O ATOM 1179 CB VAL B 15 18.806 -4.237 5.897 1.00 3.19 C ATOM 1180 CG1 VAL B 15 20.258 -4.572 6.130 1.00 3.17 C ATOM 1181 CG2 VAL B 15 18.107 -5.457 5.373 1.00 2.87 C ATOM 0 H VAL B 15 17.096 -5.424 7.925 1.00 3.38 H new ATOM 0 HA VAL B 15 18.766 -3.033 7.693 1.00 3.45 H new ATOM 0 HB VAL B 15 18.744 -3.426 5.172 1.00 3.19 H new ATOM 0 HG11 VAL B 15 20.709 -4.907 5.196 1.00 3.17 H new ATOM 0 HG12 VAL B 15 20.783 -3.687 6.489 1.00 3.17 H new ATOM 0 HG13 VAL B 15 20.334 -5.365 6.874 1.00 3.17 H new ATOM 0 HG21 VAL B 15 18.594 -5.790 4.456 1.00 2.87 H new ATOM 0 HG22 VAL B 15 18.154 -6.252 6.118 1.00 2.87 H new ATOM 0 HG23 VAL B 15 17.064 -5.217 5.164 1.00 2.87 H new ATOM 1191 N SER B 16 16.854 -1.734 6.559 1.00 3.79 N ATOM 1192 CA SER B 16 15.629 -0.982 6.222 1.00 3.90 C ATOM 1193 C SER B 16 14.845 -1.714 5.155 1.00 3.60 C ATOM 1194 O SER B 16 15.360 -2.584 4.447 1.00 3.35 O ATOM 1195 CB SER B 16 15.932 0.451 5.762 1.00 4.20 C ATOM 1196 OG SER B 16 16.711 1.148 6.714 1.00 4.38 O ATOM 0 H SER B 16 17.710 -1.180 6.545 1.00 3.79 H new ATOM 0 HA SER B 16 15.033 -0.912 7.132 1.00 3.90 H new ATOM 0 HB2 SER B 16 16.459 0.424 4.808 1.00 4.20 H new ATOM 0 HB3 SER B 16 14.997 0.986 5.594 1.00 4.20 H new ATOM 0 HG SER B 16 16.888 2.056 6.390 1.00 4.38 H new ATOM 1202 N TYR B 17 13.604 -1.329 5.030 1.00 3.62 N ATOM 1203 CA TYR B 17 12.715 -1.964 4.092 1.00 3.38 C ATOM 1204 C TYR B 17 13.280 -1.904 2.682 1.00 3.32 C ATOM 1205 O TYR B 17 13.438 -2.910 2.055 1.00 3.10 O ATOM 1206 CB TYR B 17 11.411 -1.211 4.150 1.00 3.51 C ATOM 1207 CG TYR B 17 10.354 -1.724 3.215 1.00 3.30 C ATOM 1208 CD1 TYR B 17 9.879 -2.998 3.377 1.00 3.03 C ATOM 1209 CD2 TYR B 17 9.778 -0.927 2.230 1.00 3.42 C ATOM 1210 CE1 TYR B 17 8.865 -3.466 2.615 1.00 2.87 C ATOM 1211 CE2 TYR B 17 8.765 -1.413 1.434 1.00 3.26 C ATOM 1212 CZ TYR B 17 8.308 -2.688 1.643 1.00 2.94 C ATOM 1213 OH TYR B 17 7.255 -3.184 0.916 1.00 2.85 O ATOM 0 H TYR B 17 13.182 -0.573 5.570 1.00 3.62 H new ATOM 0 HA TYR B 17 12.582 -3.015 4.347 1.00 3.38 H new ATOM 0 HB2 TYR B 17 11.027 -1.252 5.169 1.00 3.51 H new ATOM 0 HB3 TYR B 17 11.601 -0.162 3.923 1.00 3.51 H new ATOM 0 HD1 TYR B 17 10.321 -3.639 4.125 1.00 3.03 H new ATOM 0 HD2 TYR B 17 10.130 0.084 2.088 1.00 3.42 H new ATOM 0 HE1 TYR B 17 8.492 -4.466 2.778 1.00 2.87 H new ATOM 0 HE2 TYR B 17 8.337 -0.798 0.656 1.00 3.26 H new ATOM 0 HH TYR B 17 6.965 -2.514 0.262 1.00 2.85 H new ATOM 1223 N GLN B 18 13.540 -0.685 2.241 1.00 3.58 N ATOM 1224 CA GLN B 18 14.102 -0.409 0.940 1.00 3.64 C ATOM 1225 C GLN B 18 15.600 -0.661 0.849 1.00 3.63 C ATOM 1226 O GLN B 18 16.279 -0.025 0.063 1.00 3.77 O ATOM 1227 CB GLN B 18 13.718 0.968 0.413 1.00 3.96 C ATOM 1228 CG GLN B 18 12.948 0.911 -0.916 1.00 4.35 C ATOM 1229 CD GLN B 18 11.534 0.395 -0.799 1.00 4.69 C ATOM 1230 OE1 GLN B 18 10.826 0.602 0.175 1.00 5.01 O ATOM 1231 NE2 GLN B 18 11.115 -0.307 -1.848 1.00 5.04 N ATOM 0 H GLN B 18 13.361 0.154 2.792 1.00 3.58 H new ATOM 0 HA GLN B 18 13.642 -1.142 0.277 1.00 3.64 H new ATOM 0 HB2 GLN B 18 13.108 1.479 1.158 1.00 3.96 H new ATOM 0 HB3 GLN B 18 14.621 1.564 0.278 1.00 3.96 H new ATOM 0 HG2 GLN B 18 12.922 1.911 -1.349 1.00 4.35 H new ATOM 0 HG3 GLN B 18 13.496 0.276 -1.612 1.00 4.35 H new ATOM 0 HE21 GLN B 18 11.737 -0.458 -2.642 1.00 5.04 H new ATOM 0 HE22 GLN B 18 10.172 -0.695 -1.858 1.00 5.04 H new ATOM 1240 N THR B 19 16.141 -1.394 1.800 1.00 3.52 N ATOM 1241 CA THR B 19 17.487 -1.831 1.708 1.00 3.47 C ATOM 1242 C THR B 19 17.379 -3.028 0.838 1.00 3.18 C ATOM 1243 O THR B 19 18.030 -3.163 -0.196 1.00 3.24 O ATOM 1244 CB THR B 19 18.048 -2.186 3.072 1.00 3.43 C ATOM 1245 OG1 THR B 19 18.084 -1.019 3.897 1.00 3.78 O ATOM 1246 CG2 THR B 19 19.430 -2.794 2.963 1.00 3.34 C ATOM 0 H THR B 19 15.652 -1.693 2.644 1.00 3.52 H new ATOM 0 HA THR B 19 18.163 -1.071 1.316 1.00 3.47 H new ATOM 0 HB THR B 19 17.395 -2.932 3.525 1.00 3.43 H new ATOM 0 HG1 THR B 19 18.588 -1.212 4.715 1.00 3.78 H new ATOM 0 HG21 THR B 19 19.801 -3.036 3.959 1.00 3.34 H new ATOM 0 HG22 THR B 19 19.381 -3.703 2.363 1.00 3.34 H new ATOM 0 HG23 THR B 19 20.104 -2.082 2.488 1.00 3.34 H new ATOM 1254 N VAL B 20 16.551 -3.924 1.389 1.00 2.93 N ATOM 1255 CA VAL B 20 16.151 -5.180 0.794 1.00 2.66 C ATOM 1256 C VAL B 20 15.076 -4.987 -0.304 1.00 2.69 C ATOM 1257 O VAL B 20 15.118 -5.644 -1.328 1.00 2.62 O ATOM 1258 CB VAL B 20 15.679 -6.260 1.836 1.00 2.44 C ATOM 1259 CG1 VAL B 20 15.807 -5.818 3.308 1.00 2.57 C ATOM 1260 CG2 VAL B 20 14.264 -6.722 1.563 1.00 2.33 C ATOM 0 H VAL B 20 16.128 -3.774 2.305 1.00 2.93 H new ATOM 0 HA VAL B 20 17.059 -5.568 0.332 1.00 2.66 H new ATOM 0 HB VAL B 20 16.368 -7.093 1.697 1.00 2.44 H new ATOM 0 HG11 VAL B 20 15.461 -6.620 3.960 1.00 2.57 H new ATOM 0 HG12 VAL B 20 16.850 -5.594 3.531 1.00 2.57 H new ATOM 0 HG13 VAL B 20 15.201 -4.928 3.475 1.00 2.57 H new ATOM 0 HG21 VAL B 20 13.975 -7.467 2.304 1.00 2.33 H new ATOM 0 HG22 VAL B 20 13.586 -5.871 1.621 1.00 2.33 H new ATOM 0 HG23 VAL B 20 14.210 -7.161 0.567 1.00 2.33 H new ATOM 1270 N SER B 21 14.105 -4.090 -0.100 1.00 2.83 N ATOM 1271 CA SER B 21 13.037 -3.895 -1.092 1.00 2.87 C ATOM 1272 C SER B 21 13.632 -3.423 -2.415 1.00 3.09 C ATOM 1273 O SER B 21 13.140 -3.758 -3.488 1.00 3.10 O ATOM 1274 CB SER B 21 11.934 -2.956 -0.576 1.00 3.04 C ATOM 1275 OG SER B 21 11.384 -3.470 0.619 1.00 3.23 O ATOM 0 H SER B 21 14.034 -3.496 0.726 1.00 2.83 H new ATOM 0 HA SER B 21 12.551 -4.855 -1.266 1.00 2.87 H new ATOM 0 HB2 SER B 21 12.344 -1.962 -0.399 1.00 3.04 H new ATOM 0 HB3 SER B 21 11.153 -2.849 -1.329 1.00 3.04 H new ATOM 0 HG SER B 21 12.089 -3.553 1.294 1.00 3.23 H new ATOM 1281 N ARG B 22 14.723 -2.673 -2.312 1.00 3.32 N ATOM 1282 CA ARG B 22 15.466 -2.191 -3.471 1.00 3.59 C ATOM 1283 C ARG B 22 16.170 -3.376 -4.107 1.00 3.45 C ATOM 1284 O ARG B 22 16.390 -3.420 -5.308 1.00 3.63 O ATOM 1285 CB ARG B 22 16.447 -1.100 -3.017 1.00 3.86 C ATOM 1286 CG ARG B 22 17.802 -1.119 -3.706 1.00 4.07 C ATOM 1287 CD ARG B 22 18.871 -0.384 -2.894 1.00 4.20 C ATOM 1288 NE ARG B 22 18.489 0.983 -2.515 1.00 4.64 N ATOM 1289 CZ ARG B 22 19.369 1.921 -2.137 1.00 4.85 C ATOM 1290 NH1 ARG B 22 20.669 1.637 -2.087 1.00 4.70 N ATOM 1291 NH2 ARG B 22 18.956 3.142 -1.805 1.00 5.40 N ATOM 0 H ARG B 22 15.119 -2.381 -1.419 1.00 3.32 H new ATOM 0 HA ARG B 22 14.807 -1.746 -4.217 1.00 3.59 H new ATOM 0 HB2 ARG B 22 15.986 -0.127 -3.185 1.00 3.86 H new ATOM 0 HB3 ARG B 22 16.602 -1.198 -1.943 1.00 3.86 H new ATOM 0 HG2 ARG B 22 18.113 -2.152 -3.864 1.00 4.07 H new ATOM 0 HG3 ARG B 22 17.714 -0.658 -4.690 1.00 4.07 H new ATOM 0 HD2 ARG B 22 19.085 -0.955 -1.991 1.00 4.20 H new ATOM 0 HD3 ARG B 22 19.793 -0.346 -3.474 1.00 4.20 H new ATOM 0 HE ARG B 22 17.500 1.232 -2.541 1.00 4.64 H new ATOM 0 HH11 ARG B 22 20.997 0.704 -2.337 1.00 4.70 H new ATOM 0 HH12 ARG B 22 21.337 2.352 -1.799 1.00 4.70 H new ATOM 0 HH21 ARG B 22 17.962 3.371 -1.837 1.00 5.40 H new ATOM 0 HH22 ARG B 22 19.633 3.849 -1.519 1.00 5.40 H new ATOM 1305 N VAL B 23 16.512 -4.336 -3.265 1.00 3.17 N ATOM 1306 CA VAL B 23 17.138 -5.560 -3.694 1.00 3.05 C ATOM 1307 C VAL B 23 16.137 -6.339 -4.546 1.00 3.00 C ATOM 1308 O VAL B 23 16.427 -6.731 -5.680 1.00 3.18 O ATOM 1309 CB VAL B 23 17.561 -6.386 -2.461 1.00 2.77 C ATOM 1310 CG1 VAL B 23 18.117 -7.732 -2.837 1.00 2.66 C ATOM 1311 CG2 VAL B 23 18.573 -5.634 -1.626 1.00 2.87 C ATOM 0 H VAL B 23 16.359 -4.281 -2.258 1.00 3.17 H new ATOM 0 HA VAL B 23 18.030 -5.347 -4.284 1.00 3.05 H new ATOM 0 HB VAL B 23 16.657 -6.549 -1.874 1.00 2.77 H new ATOM 0 HG11 VAL B 23 18.400 -8.274 -1.934 1.00 2.66 H new ATOM 0 HG12 VAL B 23 17.361 -8.300 -3.379 1.00 2.66 H new ATOM 0 HG13 VAL B 23 18.994 -7.599 -3.470 1.00 2.66 H new ATOM 0 HG21 VAL B 23 18.854 -6.238 -0.764 1.00 2.87 H new ATOM 0 HG22 VAL B 23 19.458 -5.426 -2.227 1.00 2.87 H new ATOM 0 HG23 VAL B 23 18.137 -4.695 -1.285 1.00 2.87 H new ATOM 1321 N VAL B 24 14.938 -6.504 -3.985 1.00 2.81 N ATOM 1322 CA VAL B 24 13.829 -7.195 -4.642 1.00 2.77 C ATOM 1323 C VAL B 24 13.323 -6.422 -5.862 1.00 3.04 C ATOM 1324 O VAL B 24 12.690 -6.991 -6.751 1.00 3.12 O ATOM 1325 CB VAL B 24 12.648 -7.440 -3.659 1.00 2.53 C ATOM 1326 CG1 VAL B 24 11.470 -8.116 -4.351 1.00 2.54 C ATOM 1327 CG2 VAL B 24 13.097 -8.282 -2.473 1.00 2.32 C ATOM 0 H VAL B 24 14.708 -6.158 -3.053 1.00 2.81 H new ATOM 0 HA VAL B 24 14.218 -8.157 -4.975 1.00 2.77 H new ATOM 0 HB VAL B 24 12.321 -6.463 -3.302 1.00 2.53 H new ATOM 0 HG11 VAL B 24 10.665 -8.270 -3.632 1.00 2.54 H new ATOM 0 HG12 VAL B 24 11.114 -7.483 -5.164 1.00 2.54 H new ATOM 0 HG13 VAL B 24 11.787 -9.078 -4.752 1.00 2.54 H new ATOM 0 HG21 VAL B 24 12.255 -8.440 -1.799 1.00 2.32 H new ATOM 0 HG22 VAL B 24 13.463 -9.245 -2.828 1.00 2.32 H new ATOM 0 HG23 VAL B 24 13.895 -7.764 -1.941 1.00 2.32 H new ATOM 1480 N ARG B 35 22.594 -8.297 0.090 1.00 2.50 N ATOM 1481 CA ARG B 35 21.757 -9.136 -0.759 1.00 2.44 C ATOM 1482 C ARG B 35 21.642 -10.539 -0.178 1.00 2.25 C ATOM 1483 O ARG B 35 20.575 -11.142 -0.208 1.00 2.20 O ATOM 1484 CB ARG B 35 22.328 -9.218 -2.177 1.00 2.67 C ATOM 1485 CG ARG B 35 21.896 -8.080 -3.080 1.00 2.98 C ATOM 1486 CD ARG B 35 23.085 -7.460 -3.792 1.00 3.19 C ATOM 1487 NE ARG B 35 23.831 -8.437 -4.581 1.00 3.34 N ATOM 1488 CZ ARG B 35 24.931 -8.154 -5.278 1.00 3.60 C ATOM 1489 NH1 ARG B 35 25.458 -6.933 -5.232 1.00 3.81 N ATOM 1490 NH2 ARG B 35 25.503 -9.093 -6.019 1.00 3.91 N ATOM 0 HA ARG B 35 20.767 -8.682 -0.802 1.00 2.44 H new ATOM 0 HB2 ARG B 35 23.416 -9.230 -2.120 1.00 2.67 H new ATOM 0 HB3 ARG B 35 22.022 -10.162 -2.627 1.00 2.67 H new ATOM 0 HG2 ARG B 35 21.180 -8.448 -3.815 1.00 2.98 H new ATOM 0 HG3 ARG B 35 21.385 -7.319 -2.490 1.00 2.98 H new ATOM 0 HD2 ARG B 35 22.737 -6.659 -4.444 1.00 3.19 H new ATOM 0 HD3 ARG B 35 23.750 -7.007 -3.057 1.00 3.19 H new ATOM 0 HE ARG B 35 23.488 -9.397 -4.600 1.00 3.34 H new ATOM 0 HH11 ARG B 35 25.020 -6.210 -4.662 1.00 3.81 H new ATOM 0 HH12 ARG B 35 26.300 -6.720 -5.767 1.00 3.81 H new ATOM 0 HH21 ARG B 35 25.101 -10.030 -6.055 1.00 3.91 H new ATOM 0 HH22 ARG B 35 26.345 -8.879 -6.553 1.00 3.91 H new ATOM 1504 N GLU B 36 22.740 -11.033 0.374 1.00 2.21 N ATOM 1505 CA GLU B 36 22.775 -12.368 0.959 1.00 2.13 C ATOM 1506 C GLU B 36 21.883 -12.431 2.188 1.00 2.03 C ATOM 1507 O GLU B 36 21.182 -13.412 2.418 1.00 2.06 O ATOM 1508 CB GLU B 36 24.203 -12.753 1.358 1.00 2.14 C ATOM 1509 CG GLU B 36 25.269 -12.370 0.341 1.00 2.40 C ATOM 1510 CD GLU B 36 26.668 -12.715 0.824 1.00 2.61 C ATOM 1511 OE1 GLU B 36 26.812 -13.620 1.676 1.00 2.82 O ATOM 1512 OE2 GLU B 36 27.637 -12.089 0.338 1.00 2.94 O ATOM 0 H GLU B 36 23.624 -10.527 0.430 1.00 2.21 H new ATOM 0 HA GLU B 36 22.413 -13.069 0.207 1.00 2.13 H new ATOM 0 HB2 GLU B 36 24.441 -12.279 2.310 1.00 2.14 H new ATOM 0 HB3 GLU B 36 24.243 -13.830 1.519 1.00 2.14 H new ATOM 0 HG2 GLU B 36 25.073 -12.884 -0.600 1.00 2.40 H new ATOM 0 HG3 GLU B 36 25.209 -11.301 0.138 1.00 2.40 H new ATOM 1519 N LYS B 37 21.905 -11.356 2.961 1.00 2.03 N ATOM 1520 CA LYS B 37 21.124 -11.268 4.185 1.00 2.06 C ATOM 1521 C LYS B 37 19.638 -11.143 3.883 1.00 2.07 C ATOM 1522 O LYS B 37 18.815 -11.811 4.506 1.00 2.14 O ATOM 1523 CB LYS B 37 21.586 -10.076 5.016 1.00 2.19 C ATOM 1524 CG LYS B 37 22.843 -10.352 5.822 1.00 2.53 C ATOM 1525 CD LYS B 37 23.781 -9.157 5.832 1.00 2.52 C ATOM 1526 CE LYS B 37 23.109 -7.909 6.386 1.00 2.77 C ATOM 1527 NZ LYS B 37 22.627 -8.104 7.783 1.00 3.10 N ATOM 0 H LYS B 37 22.461 -10.525 2.759 1.00 2.03 H new ATOM 0 HA LYS B 37 21.280 -12.186 4.751 1.00 2.06 H new ATOM 0 HB2 LYS B 37 21.767 -9.229 4.354 1.00 2.19 H new ATOM 0 HB3 LYS B 37 20.785 -9.784 5.695 1.00 2.19 H new ATOM 0 HG2 LYS B 37 22.569 -10.608 6.846 1.00 2.53 H new ATOM 0 HG3 LYS B 37 23.360 -11.216 5.405 1.00 2.53 H new ATOM 0 HD2 LYS B 37 24.661 -9.392 6.432 1.00 2.52 H new ATOM 0 HD3 LYS B 37 24.129 -8.961 4.818 1.00 2.52 H new ATOM 0 HE2 LYS B 37 23.812 -7.077 6.359 1.00 2.77 H new ATOM 0 HE3 LYS B 37 22.268 -7.637 5.748 1.00 2.77 H new ATOM 0 HZ1 LYS B 37 22.901 -7.285 8.362 1.00 3.10 H new ATOM 0 HZ2 LYS B 37 21.591 -8.197 7.783 1.00 3.10 H new ATOM 0 HZ3 LYS B 37 23.052 -8.966 8.180 1.00 3.10 H new ATOM 1541 N VAL B 38 19.300 -10.286 2.927 1.00 2.07 N ATOM 1542 CA VAL B 38 17.908 -10.082 2.549 1.00 2.08 C ATOM 1543 C VAL B 38 17.359 -11.337 1.871 1.00 2.04 C ATOM 1544 O VAL B 38 16.243 -11.767 2.160 1.00 2.07 O ATOM 1545 CB VAL B 38 17.741 -8.850 1.643 1.00 2.17 C ATOM 1546 CG1 VAL B 38 18.568 -7.681 2.175 1.00 2.33 C ATOM 1547 CG2 VAL B 38 18.091 -9.166 0.204 1.00 2.21 C ATOM 0 H VAL B 38 19.969 -9.723 2.401 1.00 2.07 H new ATOM 0 HA VAL B 38 17.335 -9.894 3.457 1.00 2.08 H new ATOM 0 HB VAL B 38 16.691 -8.559 1.659 1.00 2.17 H new ATOM 0 HG11 VAL B 38 18.439 -6.817 1.523 1.00 2.33 H new ATOM 0 HG12 VAL B 38 18.235 -7.428 3.182 1.00 2.33 H new ATOM 0 HG13 VAL B 38 19.621 -7.962 2.201 1.00 2.33 H new ATOM 0 HG21 VAL B 38 17.961 -8.272 -0.407 1.00 2.21 H new ATOM 0 HG22 VAL B 38 19.128 -9.498 0.146 1.00 2.21 H new ATOM 0 HG23 VAL B 38 17.436 -9.956 -0.165 1.00 2.21 H new ATOM 1557 N GLU B 39 18.156 -11.915 0.971 1.00 2.06 N ATOM 1558 CA GLU B 39 17.781 -13.141 0.279 1.00 2.17 C ATOM 1559 C GLU B 39 17.565 -14.234 1.301 1.00 2.25 C ATOM 1560 O GLU B 39 16.622 -15.014 1.197 1.00 2.39 O ATOM 1561 CB GLU B 39 18.855 -13.571 -0.722 1.00 2.31 C ATOM 1562 CG GLU B 39 18.423 -13.445 -2.174 1.00 2.51 C ATOM 1563 CD GLU B 39 18.593 -14.741 -2.947 1.00 2.75 C ATOM 1564 OE1 GLU B 39 19.729 -15.261 -3.013 1.00 3.00 O ATOM 1565 OE2 GLU B 39 17.589 -15.254 -3.490 1.00 2.96 O ATOM 0 H GLU B 39 19.070 -11.548 0.706 1.00 2.06 H new ATOM 0 HA GLU B 39 16.863 -12.958 -0.279 1.00 2.17 H new ATOM 0 HB2 GLU B 39 19.749 -12.967 -0.564 1.00 2.31 H new ATOM 0 HB3 GLU B 39 19.131 -14.607 -0.523 1.00 2.31 H new ATOM 0 HG2 GLU B 39 17.378 -13.137 -2.213 1.00 2.51 H new ATOM 0 HG3 GLU B 39 19.005 -12.660 -2.656 1.00 2.51 H new ATOM 1572 N ALA B 40 18.441 -14.279 2.301 1.00 2.22 N ATOM 1573 CA ALA B 40 18.304 -15.260 3.359 1.00 2.38 C ATOM 1574 C ALA B 40 17.001 -15.018 4.086 1.00 2.45 C ATOM 1575 O ALA B 40 16.168 -15.909 4.200 1.00 2.65 O ATOM 1576 CB ALA B 40 19.454 -15.183 4.348 1.00 2.37 C ATOM 0 H ALA B 40 19.241 -13.654 2.396 1.00 2.22 H new ATOM 0 HA ALA B 40 18.315 -16.253 2.909 1.00 2.38 H new ATOM 0 HB1 ALA B 40 19.316 -15.934 5.126 1.00 2.37 H new ATOM 0 HB2 ALA B 40 20.394 -15.368 3.828 1.00 2.37 H new ATOM 0 HB3 ALA B 40 19.479 -14.192 4.801 1.00 2.37 H new ATOM 1582 N ALA B 41 16.822 -13.783 4.537 1.00 2.34 N ATOM 1583 CA ALA B 41 15.633 -13.396 5.263 1.00 2.45 C ATOM 1584 C ALA B 41 14.340 -13.770 4.553 1.00 2.47 C ATOM 1585 O ALA B 41 13.476 -14.419 5.140 1.00 2.68 O ATOM 1586 CB ALA B 41 15.668 -11.910 5.504 1.00 2.39 C ATOM 0 H ALA B 41 17.497 -13.029 4.408 1.00 2.34 H new ATOM 0 HA ALA B 41 15.638 -13.947 6.204 1.00 2.45 H new ATOM 0 HB1 ALA B 41 14.775 -11.609 6.051 1.00 2.39 H new ATOM 0 HB2 ALA B 41 16.553 -11.657 6.087 1.00 2.39 H new ATOM 0 HB3 ALA B 41 15.701 -11.387 4.548 1.00 2.39 H new ATOM 1592 N MET B 42 14.212 -13.390 3.292 1.00 2.31 N ATOM 1593 CA MET B 42 13.006 -13.695 2.537 1.00 2.35 C ATOM 1594 C MET B 42 12.858 -15.195 2.347 1.00 2.59 C ATOM 1595 O MET B 42 11.751 -15.716 2.321 1.00 2.74 O ATOM 1596 CB MET B 42 12.973 -12.971 1.188 1.00 2.21 C ATOM 1597 CG MET B 42 14.147 -13.275 0.288 1.00 2.23 C ATOM 1598 SD MET B 42 14.231 -12.156 -1.114 1.00 2.21 S ATOM 1599 CE MET B 42 14.378 -10.613 -0.227 1.00 2.06 C ATOM 0 H MET B 42 14.922 -12.874 2.772 1.00 2.31 H new ATOM 0 HA MET B 42 12.159 -13.331 3.118 1.00 2.35 H new ATOM 0 HB2 MET B 42 12.053 -13.239 0.668 1.00 2.21 H new ATOM 0 HB3 MET B 42 12.937 -11.896 1.367 1.00 2.21 H new ATOM 0 HG2 MET B 42 15.071 -13.206 0.862 1.00 2.23 H new ATOM 0 HG3 MET B 42 14.071 -14.301 -0.072 1.00 2.23 H new ATOM 0 HE1 MET B 42 15.010 -9.927 -0.792 1.00 2.06 H new ATOM 0 HE2 MET B 42 13.390 -10.172 -0.097 1.00 2.06 H new ATOM 0 HE3 MET B 42 14.825 -10.796 0.750 1.00 2.06 H new ATOM 1609 N ALA B 43 13.986 -15.888 2.242 1.00 2.65 N ATOM 1610 CA ALA B 43 13.975 -17.328 2.009 1.00 2.94 C ATOM 1611 C ALA B 43 13.500 -18.081 3.241 1.00 3.17 C ATOM 1612 O ALA B 43 12.709 -19.018 3.142 1.00 3.43 O ATOM 1613 CB ALA B 43 15.356 -17.810 1.593 1.00 2.97 C ATOM 0 H ALA B 43 14.917 -15.478 2.314 1.00 2.65 H new ATOM 0 HA ALA B 43 13.274 -17.531 1.199 1.00 2.94 H new ATOM 0 HB1 ALA B 43 15.330 -18.886 1.423 1.00 2.97 H new ATOM 0 HB2 ALA B 43 15.656 -17.305 0.675 1.00 2.97 H new ATOM 0 HB3 ALA B 43 16.073 -17.585 2.382 1.00 2.97 H new ATOM 1619 N GLU B 44 13.977 -17.655 4.401 1.00 3.13 N ATOM 1620 CA GLU B 44 13.611 -18.296 5.656 1.00 3.41 C ATOM 1621 C GLU B 44 12.156 -18.036 5.981 1.00 3.51 C ATOM 1622 O GLU B 44 11.418 -18.939 6.380 1.00 3.81 O ATOM 1623 CB GLU B 44 14.475 -17.757 6.784 1.00 3.38 C ATOM 1624 CG GLU B 44 15.951 -17.718 6.464 1.00 3.23 C ATOM 1625 CD GLU B 44 16.644 -19.052 6.670 1.00 3.42 C ATOM 1626 OE1 GLU B 44 16.279 -20.022 5.972 1.00 3.57 O ATOM 1627 OE2 GLU B 44 17.553 -19.140 7.523 1.00 3.67 O ATOM 0 H GLU B 44 14.618 -16.868 4.500 1.00 3.13 H new ATOM 0 HA GLU B 44 13.768 -19.369 5.550 1.00 3.41 H new ATOM 0 HB2 GLU B 44 14.141 -16.750 7.034 1.00 3.38 H new ATOM 0 HB3 GLU B 44 14.322 -18.372 7.671 1.00 3.38 H new ATOM 0 HG2 GLU B 44 16.083 -17.403 5.429 1.00 3.23 H new ATOM 0 HG3 GLU B 44 16.432 -16.966 7.090 1.00 3.23 H new ATOM 1634 N LEU B 45 11.751 -16.791 5.803 1.00 3.28 N ATOM 1635 CA LEU B 45 10.377 -16.392 6.080 1.00 3.36 C ATOM 1636 C LEU B 45 9.453 -16.761 4.925 1.00 3.35 C ATOM 1637 O LEU B 45 8.258 -16.451 4.964 1.00 3.40 O ATOM 1638 CB LEU B 45 10.290 -14.881 6.334 1.00 3.17 C ATOM 1639 CG LEU B 45 11.395 -14.285 7.211 1.00 3.15 C ATOM 1640 CD1 LEU B 45 11.041 -12.858 7.608 1.00 3.11 C ATOM 1641 CD2 LEU B 45 11.645 -15.151 8.436 1.00 3.47 C ATOM 0 H LEU B 45 12.351 -16.037 5.468 1.00 3.28 H new ATOM 0 HA LEU B 45 10.057 -16.928 6.974 1.00 3.36 H new ATOM 0 HB2 LEU B 45 10.301 -14.369 5.372 1.00 3.17 H new ATOM 0 HB3 LEU B 45 9.328 -14.665 6.799 1.00 3.17 H new ATOM 0 HG LEU B 45 12.319 -14.260 6.633 1.00 3.15 H new ATOM 0 HD11 LEU B 45 11.835 -12.446 8.231 1.00 3.11 H new ATOM 0 HD12 LEU B 45 10.930 -12.248 6.712 1.00 3.11 H new ATOM 0 HD13 LEU B 45 10.105 -12.857 8.166 1.00 3.11 H new ATOM 0 HD21 LEU B 45 12.434 -14.705 9.042 1.00 3.47 H new ATOM 0 HD22 LEU B 45 10.731 -15.220 9.025 1.00 3.47 H new ATOM 0 HD23 LEU B 45 11.950 -16.149 8.120 1.00 3.47 H new