USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 22 THR OG1 : rot -160:sc= -0.439 USER MOD Set 1.2: A 55 GLN : amide:sc= -2 K(o=-2.4,f=-4.9!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.0188 USER MOD Set 2.2: A 20 CYS SG : rot 26:sc= 0.0168 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -26:sc= 1.14 USER MOD Single : A 30 GLN : amide:sc= -1.85! C(o=-1.9!,f=-3.3!) USER MOD Single : A 31 THR OG1 : rot 61:sc= 0.622 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 133:sc= 0.592 USER MOD Single : A 35 SER OG : rot -130:sc= -3.75! USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 72 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 89 SER OG : rot -47:sc= 0.433 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 26:sc= 0.208 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N LEU A 7 14.535 -12.737 -7.033 1.00 41.21 N ATOM 108 CA LEU A 7 15.778 -12.862 -6.280 1.00 43.41 C ATOM 109 C LEU A 7 16.985 -12.589 -7.172 1.00 41.42 C ATOM 110 O LEU A 7 17.180 -13.251 -8.190 1.00 70.32 O ATOM 111 CB LEU A 7 15.888 -14.259 -5.667 1.00 44.14 C ATOM 112 CG LEU A 7 15.720 -15.431 -6.635 1.00 32.13 C ATOM 113 CD1 LEU A 7 16.708 -16.540 -6.307 1.00 42.44 C ATOM 114 CD2 LEU A 7 14.292 -15.957 -6.592 1.00 4.11 C ATOM 0 HA LEU A 7 15.765 -12.121 -5.480 1.00 43.41 H new ATOM 0 HB2 LEU A 7 16.862 -14.347 -5.186 1.00 44.14 H new ATOM 0 HB3 LEU A 7 15.136 -14.350 -4.883 1.00 44.14 H new ATOM 0 HG LEU A 7 15.926 -15.076 -7.645 1.00 32.13 H new ATOM 0 HD11 LEU A 7 16.574 -17.365 -7.006 1.00 42.44 H new ATOM 0 HD12 LEU A 7 17.725 -16.157 -6.389 1.00 42.44 H new ATOM 0 HD13 LEU A 7 16.534 -16.893 -5.291 1.00 42.44 H new ATOM 0 HD21 LEU A 7 14.190 -16.791 -7.287 1.00 4.11 H new ATOM 0 HD22 LEU A 7 14.059 -16.296 -5.582 1.00 4.11 H new ATOM 0 HD23 LEU A 7 13.603 -15.162 -6.876 1.00 4.11 H new ATOM 126 N GLY A 8 17.794 -11.609 -6.781 1.00 43.41 N ATOM 127 CA GLY A 8 18.973 -11.267 -7.555 1.00 42.42 C ATOM 128 C GLY A 8 20.256 -11.454 -6.771 1.00 25.15 C ATOM 129 O GLY A 8 21.302 -10.918 -7.139 1.00 31.31 O ATOM 0 H GLY A 8 17.654 -11.046 -5.942 1.00 43.41 H new ATOM 0 HA2 GLY A 8 19.006 -11.885 -8.453 1.00 42.42 H new ATOM 0 HA3 GLY A 8 18.900 -10.230 -7.884 1.00 42.42 H new ATOM 133 N PHE A 9 20.178 -12.216 -5.684 1.00 41.43 N ATOM 134 CA PHE A 9 21.342 -12.470 -4.843 1.00 60.25 C ATOM 135 C PHE A 9 21.486 -13.961 -4.550 1.00 54.23 C ATOM 136 O PHE A 9 20.696 -14.777 -5.026 1.00 42.24 O ATOM 137 CB PHE A 9 21.231 -11.689 -3.532 1.00 61.43 C ATOM 138 CG PHE A 9 20.066 -12.108 -2.682 1.00 22.42 C ATOM 139 CD1 PHE A 9 18.787 -11.659 -2.967 1.00 34.43 C ATOM 140 CD2 PHE A 9 20.250 -12.952 -1.598 1.00 4.51 C ATOM 141 CE1 PHE A 9 17.713 -12.043 -2.185 1.00 42.22 C ATOM 142 CE2 PHE A 9 19.181 -13.339 -0.813 1.00 14.30 C ATOM 143 CZ PHE A 9 17.910 -12.884 -1.108 1.00 21.52 C ATOM 0 H PHE A 9 19.321 -12.668 -5.365 1.00 41.43 H new ATOM 0 HA PHE A 9 22.229 -12.136 -5.382 1.00 60.25 H new ATOM 0 HB2 PHE A 9 22.151 -11.818 -2.962 1.00 61.43 H new ATOM 0 HB3 PHE A 9 21.142 -10.626 -3.758 1.00 61.43 H new ATOM 0 HD1 PHE A 9 18.627 -11.002 -3.809 1.00 34.43 H new ATOM 0 HD2 PHE A 9 21.241 -13.312 -1.364 1.00 4.51 H new ATOM 0 HE1 PHE A 9 16.721 -11.685 -2.417 1.00 42.22 H new ATOM 0 HE2 PHE A 9 19.338 -13.996 0.030 1.00 14.30 H new ATOM 0 HZ PHE A 9 17.072 -13.186 -0.497 1.00 21.52 H new ATOM 153 N ARG A 10 22.499 -14.308 -3.764 1.00 21.10 N ATOM 154 CA ARG A 10 22.748 -15.700 -3.408 1.00 41.13 C ATOM 155 C ARG A 10 22.525 -15.928 -1.916 1.00 43.01 C ATOM 156 O ARG A 10 22.803 -15.054 -1.095 1.00 42.53 O ATOM 157 CB ARG A 10 24.175 -16.098 -3.788 1.00 64.24 C ATOM 158 CG ARG A 10 24.336 -16.462 -5.255 1.00 40.25 C ATOM 159 CD ARG A 10 25.777 -16.815 -5.587 1.00 44.13 C ATOM 160 NE ARG A 10 25.899 -17.440 -6.901 1.00 61.25 N ATOM 161 CZ ARG A 10 27.059 -17.627 -7.522 1.00 53.41 C ATOM 162 NH1 ARG A 10 28.190 -17.238 -6.951 1.00 23.25 N ATOM 163 NH2 ARG A 10 27.088 -18.203 -8.717 1.00 21.22 N ATOM 0 H ARG A 10 23.161 -13.645 -3.361 1.00 21.10 H new ATOM 0 HA ARG A 10 22.045 -16.322 -3.962 1.00 41.13 H new ATOM 0 HB2 ARG A 10 24.848 -15.274 -3.551 1.00 64.24 H new ATOM 0 HB3 ARG A 10 24.482 -16.946 -3.176 1.00 64.24 H new ATOM 0 HG2 ARG A 10 23.689 -17.306 -5.495 1.00 40.25 H new ATOM 0 HG3 ARG A 10 24.013 -15.626 -5.876 1.00 40.25 H new ATOM 0 HD2 ARG A 10 26.387 -15.912 -5.557 1.00 44.13 H new ATOM 0 HD3 ARG A 10 26.169 -17.490 -4.827 1.00 44.13 H new ATOM 0 HE ARG A 10 25.047 -17.750 -7.368 1.00 61.25 H new ATOM 0 HH11 ARG A 10 28.171 -16.794 -6.033 1.00 23.25 H new ATOM 0 HH12 ARG A 10 29.079 -17.383 -7.430 1.00 23.25 H new ATOM 0 HH21 ARG A 10 26.219 -18.503 -9.160 1.00 21.22 H new ATOM 0 HH22 ARG A 10 27.979 -18.346 -9.193 1.00 21.22 H new ATOM 177 N VAL A 11 22.021 -17.109 -1.572 1.00 3.11 N ATOM 178 CA VAL A 11 21.761 -17.453 -0.179 1.00 45.41 C ATOM 179 C VAL A 11 22.155 -18.896 0.113 1.00 32.23 C ATOM 180 O VAL A 11 21.677 -19.824 -0.539 1.00 25.55 O ATOM 181 CB VAL A 11 20.277 -17.254 0.181 1.00 41.44 C ATOM 182 CG1 VAL A 11 19.389 -18.067 -0.748 1.00 53.13 C ATOM 183 CG2 VAL A 11 20.027 -17.627 1.634 1.00 73.42 C ATOM 0 H VAL A 11 21.785 -17.844 -2.239 1.00 3.11 H new ATOM 0 HA VAL A 11 22.367 -16.783 0.431 1.00 45.41 H new ATOM 0 HB VAL A 11 20.028 -16.201 0.053 1.00 41.44 H new ATOM 0 HG11 VAL A 11 18.344 -17.914 -0.479 1.00 53.13 H new ATOM 0 HG12 VAL A 11 19.549 -17.746 -1.777 1.00 53.13 H new ATOM 0 HG13 VAL A 11 19.637 -19.124 -0.655 1.00 53.13 H new ATOM 0 HG21 VAL A 11 18.973 -17.480 1.871 1.00 73.42 H new ATOM 0 HG22 VAL A 11 20.292 -18.672 1.792 1.00 73.42 H new ATOM 0 HG23 VAL A 11 20.636 -16.996 2.282 1.00 73.42 H new ATOM 193 N ALA A 12 23.028 -19.078 1.098 1.00 1.25 N ATOM 194 CA ALA A 12 23.484 -20.409 1.479 1.00 0.15 C ATOM 195 C ALA A 12 22.942 -20.804 2.849 1.00 51.20 C ATOM 196 O ALA A 12 23.179 -20.117 3.843 1.00 32.41 O ATOM 197 CB ALA A 12 25.004 -20.467 1.475 1.00 64.54 C ATOM 0 H ALA A 12 23.434 -18.320 1.647 1.00 1.25 H new ATOM 0 HA ALA A 12 23.102 -21.120 0.747 1.00 0.15 H new ATOM 0 HB1 ALA A 12 25.331 -21.467 1.761 1.00 64.54 H new ATOM 0 HB2 ALA A 12 25.374 -20.236 0.476 1.00 64.54 H new ATOM 0 HB3 ALA A 12 25.398 -19.739 2.185 1.00 64.54 H new ATOM 203 N VAL A 13 22.212 -21.914 2.894 1.00 63.01 N ATOM 204 CA VAL A 13 21.637 -22.401 4.142 1.00 54.51 C ATOM 205 C VAL A 13 22.560 -23.409 4.817 1.00 52.32 C ATOM 206 O VAL A 13 22.977 -24.391 4.205 1.00 44.34 O ATOM 207 CB VAL A 13 20.262 -23.056 3.908 1.00 3.43 C ATOM 208 CG1 VAL A 13 20.370 -24.171 2.880 1.00 42.14 C ATOM 209 CG2 VAL A 13 19.693 -23.580 5.218 1.00 61.22 C ATOM 0 H VAL A 13 22.005 -22.493 2.080 1.00 63.01 H new ATOM 0 HA VAL A 13 21.513 -21.535 4.792 1.00 54.51 H new ATOM 0 HB VAL A 13 19.580 -22.301 3.518 1.00 3.43 H new ATOM 0 HG11 VAL A 13 19.389 -24.622 2.728 1.00 42.14 H new ATOM 0 HG12 VAL A 13 20.732 -23.762 1.937 1.00 42.14 H new ATOM 0 HG13 VAL A 13 21.066 -24.929 3.238 1.00 42.14 H new ATOM 0 HG21 VAL A 13 18.722 -24.039 5.035 1.00 61.22 H new ATOM 0 HG22 VAL A 13 20.372 -24.322 5.639 1.00 61.22 H new ATOM 0 HG23 VAL A 13 19.577 -22.755 5.920 1.00 61.22 H new ATOM 219 N GLY A 14 22.875 -23.159 6.084 1.00 13.23 N ATOM 220 CA GLY A 14 23.746 -24.054 6.822 1.00 5.14 C ATOM 221 C GLY A 14 23.673 -23.831 8.320 1.00 51.31 C ATOM 222 O GLY A 14 22.634 -23.428 8.844 1.00 43.32 O ATOM 0 H GLY A 14 22.542 -22.352 6.612 1.00 13.23 H new ATOM 0 HA2 GLY A 14 23.475 -25.086 6.598 1.00 5.14 H new ATOM 0 HA3 GLY A 14 24.774 -23.914 6.487 1.00 5.14 H new ATOM 226 N ARG A 15 24.777 -24.095 9.011 1.00 40.51 N ATOM 227 CA ARG A 15 24.832 -23.923 10.458 1.00 43.24 C ATOM 228 C ARG A 15 26.093 -23.168 10.868 1.00 44.03 C ATOM 229 O ARG A 15 27.200 -23.521 10.461 1.00 64.32 O ATOM 230 CB ARG A 15 24.789 -25.283 11.156 1.00 25.20 C ATOM 231 CG ARG A 15 23.442 -25.604 11.783 1.00 45.21 C ATOM 232 CD ARG A 15 22.655 -26.592 10.937 1.00 63.14 C ATOM 233 NE ARG A 15 21.791 -27.442 11.750 1.00 35.33 N ATOM 234 CZ ARG A 15 22.246 -28.386 12.567 1.00 13.11 C ATOM 235 NH1 ARG A 15 23.550 -28.598 12.678 1.00 34.44 N ATOM 236 NH2 ARG A 15 21.396 -29.119 13.275 1.00 53.20 N ATOM 0 H ARG A 15 25.645 -24.429 8.592 1.00 40.51 H new ATOM 0 HA ARG A 15 23.964 -23.338 10.763 1.00 43.24 H new ATOM 0 HB2 ARG A 15 25.039 -26.060 10.434 1.00 25.20 H new ATOM 0 HB3 ARG A 15 25.556 -25.309 11.930 1.00 25.20 H new ATOM 0 HG2 ARG A 15 23.593 -26.017 12.780 1.00 45.21 H new ATOM 0 HG3 ARG A 15 22.867 -24.686 11.902 1.00 45.21 H new ATOM 0 HD2 ARG A 15 22.050 -26.047 10.213 1.00 63.14 H new ATOM 0 HD3 ARG A 15 23.347 -27.215 10.370 1.00 63.14 H new ATOM 0 HE ARG A 15 20.782 -27.304 11.688 1.00 35.33 H new ATOM 0 HH11 ARG A 15 24.206 -28.036 12.136 1.00 34.44 H new ATOM 0 HH12 ARG A 15 23.897 -29.323 13.306 1.00 34.44 H new ATOM 0 HH21 ARG A 15 20.392 -28.958 13.192 1.00 53.20 H new ATOM 0 HH22 ARG A 15 21.747 -29.843 13.902 1.00 53.20 H new ATOM 250 N ASP A 16 25.918 -22.128 11.675 1.00 53.53 N ATOM 251 CA ASP A 16 27.041 -21.323 12.140 1.00 1.25 C ATOM 252 C ASP A 16 27.698 -21.961 13.360 1.00 30.24 C ATOM 253 O ASP A 16 27.310 -23.048 13.789 1.00 1.11 O ATOM 254 CB ASP A 16 26.575 -19.906 12.479 1.00 23.05 C ATOM 255 CG ASP A 16 25.350 -19.897 13.372 1.00 21.54 C ATOM 256 OD1 ASP A 16 25.046 -20.950 13.973 1.00 53.42 O ATOM 257 OD2 ASP A 16 24.696 -18.838 13.471 1.00 21.54 O ATOM 0 H ASP A 16 25.008 -21.822 12.021 1.00 53.53 H new ATOM 0 HA ASP A 16 27.777 -21.273 11.338 1.00 1.25 H new ATOM 0 HB2 ASP A 16 27.385 -19.369 12.973 1.00 23.05 H new ATOM 0 HB3 ASP A 16 26.352 -19.370 11.557 1.00 23.05 H new ATOM 262 N SER A 17 28.695 -21.279 13.914 1.00 3.01 N ATOM 263 CA SER A 17 29.410 -21.782 15.082 1.00 53.33 C ATOM 264 C SER A 17 28.449 -22.028 16.241 1.00 24.43 C ATOM 265 O SER A 17 28.706 -22.865 17.107 1.00 70.32 O ATOM 266 CB SER A 17 30.496 -20.792 15.506 1.00 3.13 C ATOM 267 OG SER A 17 29.979 -19.816 16.394 1.00 33.21 O ATOM 0 H SER A 17 29.026 -20.377 13.573 1.00 3.01 H new ATOM 0 HA SER A 17 29.877 -22.729 14.813 1.00 53.33 H new ATOM 0 HB2 SER A 17 31.314 -21.329 15.987 1.00 3.13 H new ATOM 0 HB3 SER A 17 30.911 -20.303 14.625 1.00 3.13 H new ATOM 0 HG SER A 17 30.694 -19.197 16.651 1.00 33.21 H new ATOM 273 N SER A 18 27.342 -21.293 16.251 1.00 21.32 N ATOM 274 CA SER A 18 26.344 -21.428 17.306 1.00 61.52 C ATOM 275 C SER A 18 25.363 -22.551 16.984 1.00 33.53 C ATOM 276 O SER A 18 24.615 -23.004 17.850 1.00 74.13 O ATOM 277 CB SER A 18 25.587 -20.112 17.492 1.00 21.15 C ATOM 278 OG SER A 18 24.383 -20.314 18.212 1.00 51.04 O ATOM 0 H SER A 18 27.113 -20.598 15.541 1.00 21.32 H new ATOM 0 HA SER A 18 26.861 -21.675 18.233 1.00 61.52 H new ATOM 0 HB2 SER A 18 26.217 -19.398 18.023 1.00 21.15 H new ATOM 0 HB3 SER A 18 25.363 -19.677 16.518 1.00 21.15 H new ATOM 0 HG SER A 18 23.918 -19.458 18.319 1.00 51.04 H new ATOM 284 N GLY A 19 25.372 -22.997 15.731 1.00 2.24 N ATOM 285 CA GLY A 19 24.479 -24.063 15.316 1.00 3.22 C ATOM 286 C GLY A 19 23.025 -23.747 15.606 1.00 24.24 C ATOM 287 O GLY A 19 22.438 -24.297 16.539 1.00 60.21 O ATOM 0 H GLY A 19 25.982 -22.639 14.996 1.00 2.24 H new ATOM 0 HA2 GLY A 19 24.603 -24.241 14.248 1.00 3.22 H new ATOM 0 HA3 GLY A 19 24.756 -24.985 15.827 1.00 3.22 H new ATOM 291 N CYS A 20 22.444 -22.859 14.808 1.00 11.13 N ATOM 292 CA CYS A 20 21.050 -22.469 14.986 1.00 54.22 C ATOM 293 C CYS A 20 20.377 -22.227 13.639 1.00 50.35 C ATOM 294 O CYS A 20 19.296 -21.641 13.568 1.00 71.14 O ATOM 295 CB CYS A 20 20.957 -21.210 15.849 1.00 34.15 C ATOM 296 SG CYS A 20 20.869 -21.538 17.625 1.00 22.24 S ATOM 0 H CYS A 20 22.916 -22.395 14.032 1.00 11.13 H new ATOM 0 HA CYS A 20 20.532 -23.285 15.490 1.00 54.22 H new ATOM 0 HB2 CYS A 20 21.824 -20.580 15.649 1.00 34.15 H new ATOM 0 HB3 CYS A 20 20.075 -20.642 15.551 1.00 34.15 H new ATOM 0 HG CYS A 20 21.437 -22.678 17.884 1.00 22.24 H new ATOM 302 N THR A 21 21.025 -22.680 12.570 1.00 54.15 N ATOM 303 CA THR A 21 20.491 -22.510 11.224 1.00 62.41 C ATOM 304 C THR A 21 20.460 -21.039 10.826 1.00 32.13 C ATOM 305 O THR A 21 19.615 -20.276 11.295 1.00 15.11 O ATOM 306 CB THR A 21 19.070 -23.093 11.105 1.00 2.03 C ATOM 307 OG1 THR A 21 18.986 -24.328 11.825 1.00 75.12 O ATOM 308 CG2 THR A 21 18.699 -23.323 9.648 1.00 44.30 C ATOM 0 H THR A 21 21.920 -23.167 12.610 1.00 54.15 H new ATOM 0 HA THR A 21 21.155 -23.051 10.550 1.00 62.41 H new ATOM 0 HB THR A 21 18.370 -22.375 11.532 1.00 2.03 H new ATOM 0 HG1 THR A 21 18.079 -24.692 11.746 1.00 75.12 H new ATOM 0 HG21 THR A 21 17.692 -23.735 9.590 1.00 44.30 H new ATOM 0 HG22 THR A 21 18.736 -22.376 9.109 1.00 44.30 H new ATOM 0 HG23 THR A 21 19.404 -24.023 9.199 1.00 44.30 H new ATOM 316 N THR A 22 21.386 -20.646 9.958 1.00 42.43 N ATOM 317 CA THR A 22 21.465 -19.265 9.497 1.00 33.11 C ATOM 318 C THR A 22 21.845 -19.198 8.022 1.00 35.33 C ATOM 319 O THR A 22 22.503 -20.098 7.499 1.00 43.02 O ATOM 320 CB THR A 22 22.489 -18.457 10.316 1.00 14.13 C ATOM 321 OG1 THR A 22 23.819 -18.789 9.903 1.00 73.41 O ATOM 322 CG2 THR A 22 22.331 -18.733 11.804 1.00 75.12 C ATOM 0 H THR A 22 22.092 -21.265 9.560 1.00 42.43 H new ATOM 0 HA THR A 22 20.475 -18.829 9.635 1.00 33.11 H new ATOM 0 HB THR A 22 22.308 -17.397 10.138 1.00 14.13 H new ATOM 0 HG1 THR A 22 24.453 -18.536 10.606 1.00 73.41 H new ATOM 0 HG21 THR A 22 23.065 -18.151 12.362 1.00 75.12 H new ATOM 0 HG22 THR A 22 21.327 -18.451 12.122 1.00 75.12 H new ATOM 0 HG23 THR A 22 22.488 -19.794 11.996 1.00 75.12 H new ATOM 330 N LEU A 23 21.426 -18.128 7.356 1.00 3.45 N ATOM 331 CA LEU A 23 21.724 -17.943 5.940 1.00 13.13 C ATOM 332 C LEU A 23 22.581 -16.701 5.721 1.00 3.45 C ATOM 333 O LEU A 23 22.325 -15.647 6.304 1.00 40.34 O ATOM 334 CB LEU A 23 20.427 -17.829 5.137 1.00 13.02 C ATOM 335 CG LEU A 23 19.785 -19.149 4.708 1.00 12.13 C ATOM 336 CD1 LEU A 23 19.655 -20.090 5.896 1.00 61.12 C ATOM 337 CD2 LEU A 23 18.425 -18.899 4.073 1.00 50.24 C ATOM 0 H LEU A 23 20.879 -17.375 7.774 1.00 3.45 H new ATOM 0 HA LEU A 23 22.283 -18.813 5.595 1.00 13.13 H new ATOM 0 HB2 LEU A 23 19.703 -17.272 5.732 1.00 13.02 H new ATOM 0 HB3 LEU A 23 20.627 -17.238 4.243 1.00 13.02 H new ATOM 0 HG LEU A 23 20.430 -19.620 3.966 1.00 12.13 H new ATOM 0 HD11 LEU A 23 19.196 -21.024 5.572 1.00 61.12 H new ATOM 0 HD12 LEU A 23 20.643 -20.295 6.308 1.00 61.12 H new ATOM 0 HD13 LEU A 23 19.032 -19.626 6.661 1.00 61.12 H new ATOM 0 HD21 LEU A 23 17.983 -19.849 3.774 1.00 50.24 H new ATOM 0 HD22 LEU A 23 17.772 -18.406 4.793 1.00 50.24 H new ATOM 0 HD23 LEU A 23 18.544 -18.262 3.196 1.00 50.24 H new ATOM 349 N SER A 24 23.599 -16.832 4.877 1.00 43.10 N ATOM 350 CA SER A 24 24.496 -15.720 4.582 1.00 21.41 C ATOM 351 C SER A 24 24.277 -15.208 3.162 1.00 42.12 C ATOM 352 O SER A 24 24.149 -15.991 2.221 1.00 74.44 O ATOM 353 CB SER A 24 25.953 -16.151 4.762 1.00 31.41 C ATOM 354 OG SER A 24 26.801 -15.028 4.924 1.00 51.42 O ATOM 0 H SER A 24 23.824 -17.697 4.385 1.00 43.10 H new ATOM 0 HA SER A 24 24.275 -14.912 5.279 1.00 21.41 H new ATOM 0 HB2 SER A 24 26.038 -16.803 5.631 1.00 31.41 H new ATOM 0 HB3 SER A 24 26.274 -16.731 3.896 1.00 31.41 H new ATOM 0 HG SER A 24 27.726 -15.330 5.039 1.00 51.42 H new ATOM 360 N ILE A 25 24.236 -13.888 3.016 1.00 50.11 N ATOM 361 CA ILE A 25 24.034 -13.270 1.711 1.00 31.12 C ATOM 362 C ILE A 25 25.363 -12.870 1.080 1.00 23.15 C ATOM 363 O ILE A 25 26.078 -12.017 1.606 1.00 64.34 O ATOM 364 CB ILE A 25 23.131 -12.026 1.811 1.00 21.31 C ATOM 365 CG1 ILE A 25 21.946 -12.302 2.739 1.00 23.40 C ATOM 366 CG2 ILE A 25 22.644 -11.613 0.430 1.00 4.23 C ATOM 367 CD1 ILE A 25 21.038 -11.108 2.931 1.00 72.23 C ATOM 0 H ILE A 25 24.340 -13.226 3.785 1.00 50.11 H new ATOM 0 HA ILE A 25 23.546 -14.014 1.082 1.00 31.12 H new ATOM 0 HB ILE A 25 23.713 -11.205 2.230 1.00 21.31 H new ATOM 0 HG12 ILE A 25 21.364 -13.130 2.335 1.00 23.40 H new ATOM 0 HG13 ILE A 25 22.323 -12.622 3.711 1.00 23.40 H new ATOM 0 HG21 ILE A 25 22.007 -10.733 0.517 1.00 4.23 H new ATOM 0 HG22 ILE A 25 23.500 -11.380 -0.203 1.00 4.23 H new ATOM 0 HG23 ILE A 25 22.075 -12.430 -0.015 1.00 4.23 H new ATOM 0 HD11 ILE A 25 20.220 -11.376 3.600 1.00 72.23 H new ATOM 0 HD12 ILE A 25 21.606 -10.285 3.364 1.00 72.23 H new ATOM 0 HD13 ILE A 25 20.632 -10.801 1.967 1.00 72.23 H new ATOM 379 N GLN A 26 25.686 -13.491 -0.049 1.00 45.14 N ATOM 380 CA GLN A 26 26.930 -13.198 -0.753 1.00 31.45 C ATOM 381 C GLN A 26 26.718 -12.116 -1.806 1.00 70.21 C ATOM 382 O GLN A 26 27.556 -11.921 -2.686 1.00 31.52 O ATOM 383 CB GLN A 26 27.479 -14.466 -1.410 1.00 3.24 C ATOM 384 CG GLN A 26 28.088 -15.448 -0.422 1.00 60.20 C ATOM 385 CD GLN A 26 27.848 -16.893 -0.813 1.00 61.11 C ATOM 386 OE1 GLN A 26 28.711 -17.539 -1.409 1.00 2.44 O ATOM 387 NE2 GLN A 26 26.671 -17.409 -0.479 1.00 61.44 N ATOM 0 H GLN A 26 25.105 -14.200 -0.496 1.00 45.14 H new ATOM 0 HA GLN A 26 27.653 -12.832 -0.024 1.00 31.45 H new ATOM 0 HB2 GLN A 26 26.674 -14.962 -1.953 1.00 3.24 H new ATOM 0 HB3 GLN A 26 28.234 -14.187 -2.145 1.00 3.24 H new ATOM 0 HG2 GLN A 26 29.161 -15.268 -0.351 1.00 60.20 H new ATOM 0 HG3 GLN A 26 27.669 -15.269 0.568 1.00 60.20 H new ATOM 0 HE21 GLN A 26 25.985 -16.838 0.015 1.00 61.44 H new ATOM 0 HE22 GLN A 26 26.453 -18.377 -0.716 1.00 61.44 H new ATOM 396 N GLU A 27 25.592 -11.416 -1.710 1.00 2.22 N ATOM 397 CA GLU A 27 25.271 -10.354 -2.656 1.00 74.01 C ATOM 398 C GLU A 27 24.558 -9.200 -1.957 1.00 41.42 C ATOM 399 O GLU A 27 24.320 -9.242 -0.750 1.00 44.30 O ATOM 400 CB GLU A 27 24.396 -10.897 -3.788 1.00 70.11 C ATOM 401 CG GLU A 27 25.040 -10.789 -5.160 1.00 53.42 C ATOM 402 CD GLU A 27 25.077 -12.115 -5.894 1.00 34.22 C ATOM 403 OE1 GLU A 27 25.972 -12.933 -5.594 1.00 73.24 O ATOM 404 OE2 GLU A 27 24.211 -12.335 -6.767 1.00 24.43 O ATOM 0 H GLU A 27 24.888 -11.565 -0.987 1.00 2.22 H new ATOM 0 HA GLU A 27 26.205 -9.981 -3.075 1.00 74.01 H new ATOM 0 HB2 GLU A 27 24.163 -11.943 -3.586 1.00 70.11 H new ATOM 0 HB3 GLU A 27 23.450 -10.356 -3.796 1.00 70.11 H new ATOM 0 HG2 GLU A 27 24.491 -10.062 -5.759 1.00 53.42 H new ATOM 0 HG3 GLU A 27 26.056 -10.410 -5.051 1.00 53.42 H new ATOM 411 N VAL A 28 24.220 -8.169 -2.725 1.00 43.42 N ATOM 412 CA VAL A 28 23.535 -7.002 -2.181 1.00 72.43 C ATOM 413 C VAL A 28 22.246 -6.717 -2.944 1.00 43.15 C ATOM 414 O VAL A 28 22.240 -5.957 -3.914 1.00 22.04 O ATOM 415 CB VAL A 28 24.433 -5.752 -2.226 1.00 52.10 C ATOM 416 CG1 VAL A 28 25.470 -5.799 -1.115 1.00 24.42 C ATOM 417 CG2 VAL A 28 25.102 -5.625 -3.586 1.00 71.44 C ATOM 0 H VAL A 28 24.409 -8.118 -3.726 1.00 43.42 H new ATOM 0 HA VAL A 28 23.296 -7.230 -1.142 1.00 72.43 H new ATOM 0 HB VAL A 28 23.809 -4.872 -2.070 1.00 52.10 H new ATOM 0 HG11 VAL A 28 26.095 -4.907 -1.163 1.00 24.42 H new ATOM 0 HG12 VAL A 28 24.967 -5.838 -0.149 1.00 24.42 H new ATOM 0 HG13 VAL A 28 26.093 -6.686 -1.236 1.00 24.42 H new ATOM 0 HG21 VAL A 28 25.733 -4.736 -3.600 1.00 71.44 H new ATOM 0 HG22 VAL A 28 25.714 -6.507 -3.774 1.00 71.44 H new ATOM 0 HG23 VAL A 28 24.339 -5.541 -4.360 1.00 71.44 H new ATOM 427 N THR A 29 21.154 -7.331 -2.501 1.00 14.11 N ATOM 428 CA THR A 29 19.858 -7.144 -3.142 1.00 2.31 C ATOM 429 C THR A 29 19.106 -5.968 -2.529 1.00 43.21 C ATOM 430 O THR A 29 17.956 -5.706 -2.879 1.00 11.32 O ATOM 431 CB THR A 29 18.988 -8.410 -3.030 1.00 12.42 C ATOM 432 OG1 THR A 29 17.727 -8.196 -3.675 1.00 64.20 O ATOM 433 CG2 THR A 29 18.761 -8.783 -1.573 1.00 14.34 C ATOM 0 H THR A 29 21.141 -7.963 -1.700 1.00 14.11 H new ATOM 0 HA THR A 29 20.053 -6.938 -4.195 1.00 2.31 H new ATOM 0 HB THR A 29 19.513 -9.230 -3.521 1.00 12.42 H new ATOM 0 HG1 THR A 29 17.514 -7.239 -3.668 1.00 64.20 H new ATOM 0 HG21 THR A 29 18.144 -9.680 -1.519 1.00 14.34 H new ATOM 0 HG22 THR A 29 19.721 -8.973 -1.092 1.00 14.34 H new ATOM 0 HG23 THR A 29 18.255 -7.964 -1.062 1.00 14.34 H new ATOM 441 N GLN A 30 19.764 -5.263 -1.614 1.00 50.12 N ATOM 442 CA GLN A 30 19.156 -4.114 -0.953 1.00 70.31 C ATOM 443 C GLN A 30 18.962 -2.962 -1.933 1.00 75.12 C ATOM 444 O GLN A 30 18.024 -2.174 -1.805 1.00 35.53 O ATOM 445 CB GLN A 30 20.022 -3.659 0.223 1.00 52.33 C ATOM 446 CG GLN A 30 20.526 -4.803 1.087 1.00 75.41 C ATOM 447 CD GLN A 30 19.402 -5.673 1.617 1.00 42.50 C ATOM 448 OE1 GLN A 30 18.271 -5.214 1.781 1.00 42.14 O ATOM 449 NE2 GLN A 30 19.708 -6.936 1.888 1.00 4.24 N ATOM 0 H GLN A 30 20.717 -5.467 -1.314 1.00 50.12 H new ATOM 0 HA GLN A 30 18.178 -4.417 -0.579 1.00 70.31 H new ATOM 0 HB2 GLN A 30 20.876 -3.101 -0.160 1.00 52.33 H new ATOM 0 HB3 GLN A 30 19.446 -2.973 0.844 1.00 52.33 H new ATOM 0 HG2 GLN A 30 21.213 -5.418 0.505 1.00 75.41 H new ATOM 0 HG3 GLN A 30 21.093 -4.398 1.925 1.00 75.41 H new ATOM 0 HE21 GLN A 30 20.658 -7.274 1.737 1.00 4.24 H new ATOM 0 HE22 GLN A 30 18.993 -7.568 2.247 1.00 4.24 H new ATOM 458 N THR A 31 19.855 -2.868 -2.914 1.00 34.44 N ATOM 459 CA THR A 31 19.782 -1.812 -3.915 1.00 4.22 C ATOM 460 C THR A 31 18.733 -2.129 -4.974 1.00 65.15 C ATOM 461 O THR A 31 19.066 -2.406 -6.127 1.00 54.23 O ATOM 462 CB THR A 31 21.143 -1.597 -4.604 1.00 1.11 C ATOM 463 OG1 THR A 31 21.553 -2.799 -5.265 1.00 31.22 O ATOM 464 CG2 THR A 31 22.202 -1.182 -3.594 1.00 12.55 C ATOM 0 H THR A 31 20.637 -3.511 -3.036 1.00 34.44 H new ATOM 0 HA THR A 31 19.500 -0.899 -3.391 1.00 4.22 H new ATOM 0 HB THR A 31 21.031 -0.799 -5.338 1.00 1.11 H new ATOM 0 HG1 THR A 31 20.891 -3.040 -5.946 1.00 31.22 H new ATOM 0 HG21 THR A 31 23.154 -1.036 -4.104 1.00 12.55 H new ATOM 0 HG22 THR A 31 21.901 -0.251 -3.113 1.00 12.55 H new ATOM 0 HG23 THR A 31 22.310 -1.961 -2.840 1.00 12.55 H new ATOM 472 N TYR A 32 17.467 -2.087 -4.577 1.00 54.23 N ATOM 473 CA TYR A 32 16.369 -2.372 -5.493 1.00 54.23 C ATOM 474 C TYR A 32 15.055 -1.804 -4.963 1.00 25.31 C ATOM 475 O TYR A 32 14.825 -1.764 -3.754 1.00 22.13 O ATOM 476 CB TYR A 32 16.235 -3.880 -5.709 1.00 60.20 C ATOM 477 CG TYR A 32 16.123 -4.276 -7.164 1.00 32.21 C ATOM 478 CD1 TYR A 32 17.258 -4.470 -7.941 1.00 52.24 C ATOM 479 CD2 TYR A 32 14.881 -4.458 -7.761 1.00 1.32 C ATOM 480 CE1 TYR A 32 17.160 -4.831 -9.271 1.00 53.11 C ATOM 481 CE2 TYR A 32 14.774 -4.820 -9.090 1.00 35.24 C ATOM 482 CZ TYR A 32 15.916 -5.005 -9.841 1.00 35.14 C ATOM 483 OH TYR A 32 15.814 -5.366 -11.165 1.00 34.15 O ATOM 0 H TYR A 32 17.175 -1.858 -3.627 1.00 54.23 H new ATOM 0 HA TYR A 32 16.592 -1.894 -6.447 1.00 54.23 H new ATOM 0 HB2 TYR A 32 17.099 -4.379 -5.271 1.00 60.20 H new ATOM 0 HB3 TYR A 32 15.355 -4.238 -5.175 1.00 60.20 H new ATOM 0 HD1 TYR A 32 18.234 -4.336 -7.498 1.00 52.24 H new ATOM 0 HD2 TYR A 32 13.985 -4.314 -7.176 1.00 1.32 H new ATOM 0 HE1 TYR A 32 18.053 -4.976 -9.861 1.00 53.11 H new ATOM 0 HE2 TYR A 32 13.801 -4.957 -9.539 1.00 35.24 H new ATOM 0 HH TYR A 32 14.869 -5.448 -11.410 1.00 34.15 H new ATOM 493 N THR A 33 14.195 -1.366 -5.877 1.00 64.32 N ATOM 494 CA THR A 33 12.905 -0.800 -5.504 1.00 23.42 C ATOM 495 C THR A 33 11.991 -0.670 -6.716 1.00 55.02 C ATOM 496 O THR A 33 12.303 -1.166 -7.798 1.00 34.22 O ATOM 497 CB THR A 33 13.068 0.583 -4.846 1.00 53.03 C ATOM 498 OG1 THR A 33 14.456 0.867 -4.639 1.00 52.24 O ATOM 499 CG2 THR A 33 12.330 0.641 -3.517 1.00 74.44 C ATOM 0 H THR A 33 14.369 -1.393 -6.882 1.00 64.32 H new ATOM 0 HA THR A 33 12.455 -1.485 -4.785 1.00 23.42 H new ATOM 0 HB THR A 33 12.640 1.331 -5.514 1.00 53.03 H new ATOM 0 HG1 THR A 33 14.655 1.774 -4.953 1.00 52.24 H new ATOM 0 HG21 THR A 33 12.460 1.627 -3.071 1.00 74.44 H new ATOM 0 HG22 THR A 33 11.269 0.454 -3.682 1.00 74.44 H new ATOM 0 HG23 THR A 33 12.732 -0.117 -2.844 1.00 74.44 H new ATOM 507 N GLY A 34 10.859 0.002 -6.528 1.00 53.15 N ATOM 508 CA GLY A 34 9.916 0.186 -7.616 1.00 40.14 C ATOM 509 C GLY A 34 8.491 0.355 -7.127 1.00 5.51 C ATOM 510 O GLY A 34 7.587 -0.352 -7.570 1.00 62.24 O ATOM 0 H GLY A 34 10.578 0.422 -5.642 1.00 53.15 H new ATOM 0 HA2 GLY A 34 10.203 1.062 -8.197 1.00 40.14 H new ATOM 0 HA3 GLY A 34 9.967 -0.672 -8.286 1.00 40.14 H new ATOM 514 N SER A 35 8.291 1.295 -6.208 1.00 52.03 N ATOM 515 CA SER A 35 6.967 1.551 -5.654 1.00 13.43 C ATOM 516 C SER A 35 6.798 3.028 -5.311 1.00 0.42 C ATOM 517 O SER A 35 6.812 3.411 -4.142 1.00 34.23 O ATOM 518 CB SER A 35 6.739 0.697 -4.405 1.00 45.10 C ATOM 519 OG SER A 35 7.971 0.282 -3.840 1.00 0.42 O ATOM 0 H SER A 35 9.028 1.891 -5.832 1.00 52.03 H new ATOM 0 HA SER A 35 6.227 1.284 -6.408 1.00 13.43 H new ATOM 0 HB2 SER A 35 6.171 1.267 -3.669 1.00 45.10 H new ATOM 0 HB3 SER A 35 6.140 -0.177 -4.662 1.00 45.10 H new ATOM 0 HG SER A 35 7.949 -0.685 -3.681 1.00 0.42 H new ATOM 525 N ASN A 36 6.639 3.854 -6.340 1.00 62.13 N ATOM 526 CA ASN A 36 6.468 5.290 -6.149 1.00 63.34 C ATOM 527 C ASN A 36 7.558 5.851 -5.240 1.00 75.04 C ATOM 528 O ASN A 36 7.339 6.823 -4.519 1.00 53.32 O ATOM 529 CB ASN A 36 5.090 5.586 -5.555 1.00 72.32 C ATOM 530 CG ASN A 36 3.977 5.441 -6.575 1.00 43.15 C ATOM 531 OD1 ASN A 36 3.320 4.403 -6.651 1.00 20.13 O ATOM 532 ND2 ASN A 36 3.761 6.485 -7.367 1.00 45.22 N ATOM 0 H ASN A 36 6.625 3.554 -7.315 1.00 62.13 H new ATOM 0 HA ASN A 36 6.547 5.773 -7.123 1.00 63.34 H new ATOM 0 HB2 ASN A 36 4.904 4.910 -4.720 1.00 72.32 H new ATOM 0 HB3 ASN A 36 5.081 6.599 -5.153 1.00 72.32 H new ATOM 0 HD21 ASN A 36 3.026 6.446 -8.073 1.00 45.22 H new ATOM 0 HD22 ASN A 36 4.330 7.326 -7.269 1.00 45.22 H new ATOM 539 N GLY A 37 8.733 5.231 -5.281 1.00 70.24 N ATOM 540 CA GLY A 37 9.839 5.682 -4.458 1.00 1.43 C ATOM 541 C GLY A 37 11.107 5.901 -5.259 1.00 0.40 C ATOM 542 O GLY A 37 11.519 7.039 -5.484 1.00 74.44 O ATOM 0 H GLY A 37 8.939 4.424 -5.870 1.00 70.24 H new ATOM 0 HA2 GLY A 37 9.562 6.612 -3.961 1.00 1.43 H new ATOM 0 HA3 GLY A 37 10.029 4.947 -3.676 1.00 1.43 H new ATOM 546 N GLY A 38 11.730 4.808 -5.690 1.00 13.35 N ATOM 547 CA GLY A 38 12.953 4.908 -6.464 1.00 21.21 C ATOM 548 C GLY A 38 13.433 3.560 -6.965 1.00 50.34 C ATOM 549 O GLY A 38 14.178 2.863 -6.277 1.00 14.42 O ATOM 0 H GLY A 38 11.409 3.855 -5.517 1.00 13.35 H new ATOM 0 HA2 GLY A 38 12.789 5.571 -7.314 1.00 21.21 H new ATOM 0 HA3 GLY A 38 13.731 5.363 -5.851 1.00 21.21 H new ATOM 611 N GLY A 43 21.222 2.712 -1.342 1.00 71.21 N ATOM 612 CA GLY A 43 20.926 3.396 -0.097 1.00 41.31 C ATOM 613 C GLY A 43 20.913 2.457 1.092 1.00 32.42 C ATOM 614 O GLY A 43 21.788 2.503 1.957 1.00 14.42 O ATOM 0 HA2 GLY A 43 21.667 4.178 0.070 1.00 41.31 H new ATOM 0 HA3 GLY A 43 19.957 3.888 -0.178 1.00 41.31 H new ATOM 618 N PRO A 44 19.899 1.580 1.147 1.00 24.31 N ATOM 619 CA PRO A 44 19.751 0.609 2.236 1.00 54.04 C ATOM 620 C PRO A 44 20.819 -0.479 2.192 1.00 14.54 C ATOM 621 O PRO A 44 20.930 -1.289 3.112 1.00 41.31 O ATOM 622 CB PRO A 44 18.365 0.008 1.988 1.00 71.23 C ATOM 623 CG PRO A 44 18.130 0.186 0.527 1.00 1.45 C ATOM 624 CD PRO A 44 18.821 1.468 0.151 1.00 60.34 C ATOM 0 HA PRO A 44 19.860 1.075 3.215 1.00 54.04 H new ATOM 0 HB2 PRO A 44 18.334 -1.045 2.268 1.00 71.23 H new ATOM 0 HB3 PRO A 44 17.602 0.517 2.577 1.00 71.23 H new ATOM 0 HG2 PRO A 44 18.532 -0.655 -0.038 1.00 1.45 H new ATOM 0 HG3 PRO A 44 17.064 0.238 0.306 1.00 1.45 H new ATOM 0 HD2 PRO A 44 19.215 1.429 -0.865 1.00 60.34 H new ATOM 0 HD3 PRO A 44 18.142 2.319 0.197 1.00 60.34 H new ATOM 632 N ALA A 45 21.602 -0.490 1.119 1.00 51.01 N ATOM 633 CA ALA A 45 22.663 -1.477 0.958 1.00 54.43 C ATOM 634 C ALA A 45 23.914 -1.067 1.726 1.00 24.44 C ATOM 635 O ALA A 45 24.631 -1.914 2.261 1.00 45.33 O ATOM 636 CB ALA A 45 22.985 -1.668 -0.517 1.00 24.43 C ATOM 0 H ALA A 45 21.522 0.173 0.348 1.00 51.01 H new ATOM 0 HA ALA A 45 22.311 -2.424 1.368 1.00 54.43 H new ATOM 0 HB1 ALA A 45 23.779 -2.407 -0.623 1.00 24.43 H new ATOM 0 HB2 ALA A 45 22.094 -2.014 -1.042 1.00 24.43 H new ATOM 0 HB3 ALA A 45 23.313 -0.720 -0.944 1.00 24.43 H new ATOM 642 N PHE A 46 24.172 0.235 1.778 1.00 42.33 N ATOM 643 CA PHE A 46 25.339 0.757 2.480 1.00 61.41 C ATOM 644 C PHE A 46 24.934 1.407 3.799 1.00 1.52 C ATOM 645 O PHE A 46 25.670 1.350 4.784 1.00 44.24 O ATOM 646 CB PHE A 46 26.077 1.771 1.603 1.00 22.44 C ATOM 647 CG PHE A 46 27.287 2.366 2.265 1.00 41.22 C ATOM 648 CD1 PHE A 46 28.481 1.664 2.317 1.00 54.33 C ATOM 649 CD2 PHE A 46 27.231 3.628 2.834 1.00 0.12 C ATOM 650 CE1 PHE A 46 29.595 2.210 2.925 1.00 20.24 C ATOM 651 CE2 PHE A 46 28.342 4.179 3.444 1.00 24.00 C ATOM 652 CZ PHE A 46 29.526 3.469 3.489 1.00 43.23 C ATOM 0 H PHE A 46 23.588 0.949 1.342 1.00 42.33 H new ATOM 0 HA PHE A 46 26.005 -0.078 2.697 1.00 61.41 H new ATOM 0 HB2 PHE A 46 26.382 1.284 0.676 1.00 22.44 H new ATOM 0 HB3 PHE A 46 25.390 2.573 1.331 1.00 22.44 H new ATOM 0 HD1 PHE A 46 28.541 0.679 1.877 1.00 54.33 H new ATOM 0 HD2 PHE A 46 26.308 4.188 2.800 1.00 0.12 H new ATOM 0 HE1 PHE A 46 30.519 1.653 2.959 1.00 20.24 H new ATOM 0 HE2 PHE A 46 28.285 5.163 3.885 1.00 24.00 H new ATOM 0 HZ PHE A 46 30.396 3.897 3.964 1.00 43.23 H new ATOM 662 N ALA A 47 23.758 2.027 3.810 1.00 22.52 N ATOM 663 CA ALA A 47 23.254 2.687 5.008 1.00 52.13 C ATOM 664 C ALA A 47 23.133 1.704 6.167 1.00 12.22 C ATOM 665 O ALA A 47 23.436 2.040 7.312 1.00 62.53 O ATOM 666 CB ALA A 47 21.909 3.340 4.724 1.00 71.52 C ATOM 0 H ALA A 47 23.137 2.086 3.003 1.00 22.52 H new ATOM 0 HA ALA A 47 23.967 3.460 5.295 1.00 52.13 H new ATOM 0 HB1 ALA A 47 21.544 3.829 5.627 1.00 71.52 H new ATOM 0 HB2 ALA A 47 22.024 4.080 3.932 1.00 71.52 H new ATOM 0 HB3 ALA A 47 21.194 2.579 4.409 1.00 71.52 H new ATOM 672 N ALA A 48 22.687 0.490 5.863 1.00 30.33 N ATOM 673 CA ALA A 48 22.527 -0.542 6.880 1.00 22.23 C ATOM 674 C ALA A 48 23.795 -1.378 7.019 1.00 45.52 C ATOM 675 O ALA A 48 23.955 -2.127 7.981 1.00 34.40 O ATOM 676 CB ALA A 48 21.340 -1.433 6.546 1.00 30.13 C ATOM 0 H ALA A 48 22.430 0.197 4.920 1.00 30.33 H new ATOM 0 HA ALA A 48 22.341 -0.050 7.835 1.00 22.23 H new ATOM 0 HB1 ALA A 48 21.233 -2.199 7.314 1.00 30.13 H new ATOM 0 HB2 ALA A 48 20.433 -0.830 6.505 1.00 30.13 H new ATOM 0 HB3 ALA A 48 21.503 -1.909 5.579 1.00 30.13 H new ATOM 682 N GLY A 49 24.696 -1.243 6.050 1.00 61.11 N ATOM 683 CA GLY A 49 25.938 -1.992 6.083 1.00 65.42 C ATOM 684 C GLY A 49 25.806 -3.363 5.449 1.00 33.01 C ATOM 685 O GLY A 49 26.760 -4.142 5.431 1.00 33.11 O ATOM 0 H GLY A 49 24.587 -0.628 5.243 1.00 61.11 H new ATOM 0 HA2 GLY A 49 26.713 -1.428 5.563 1.00 65.42 H new ATOM 0 HA3 GLY A 49 26.264 -2.103 7.117 1.00 65.42 H new ATOM 689 N LEU A 50 24.620 -3.660 4.929 1.00 61.10 N ATOM 690 CA LEU A 50 24.365 -4.948 4.292 1.00 13.33 C ATOM 691 C LEU A 50 25.269 -5.144 3.080 1.00 71.43 C ATOM 692 O LEU A 50 25.129 -4.454 2.070 1.00 2.53 O ATOM 693 CB LEU A 50 22.898 -5.048 3.871 1.00 72.34 C ATOM 694 CG LEU A 50 21.872 -4.536 4.882 1.00 10.30 C ATOM 695 CD1 LEU A 50 20.458 -4.831 4.405 1.00 24.11 C ATOM 696 CD2 LEU A 50 22.116 -5.156 6.250 1.00 12.11 C ATOM 0 H LEU A 50 23.820 -3.027 4.936 1.00 61.10 H new ATOM 0 HA LEU A 50 24.584 -5.734 5.015 1.00 13.33 H new ATOM 0 HB2 LEU A 50 22.769 -4.494 2.941 1.00 72.34 H new ATOM 0 HB3 LEU A 50 22.674 -6.092 3.654 1.00 72.34 H new ATOM 0 HG LEU A 50 21.985 -3.455 4.970 1.00 10.30 H new ATOM 0 HD11 LEU A 50 19.742 -4.459 5.138 1.00 24.11 H new ATOM 0 HD12 LEU A 50 20.287 -4.338 3.448 1.00 24.11 H new ATOM 0 HD13 LEU A 50 20.331 -5.907 4.287 1.00 24.11 H new ATOM 0 HD21 LEU A 50 21.376 -4.780 6.957 1.00 12.11 H new ATOM 0 HD22 LEU A 50 22.031 -6.240 6.178 1.00 12.11 H new ATOM 0 HD23 LEU A 50 23.115 -4.892 6.596 1.00 12.11 H new ATOM 708 N ARG A 51 26.194 -6.092 3.186 1.00 64.23 N ATOM 709 CA ARG A 51 27.121 -6.381 2.098 1.00 53.35 C ATOM 710 C ARG A 51 27.390 -7.879 1.996 1.00 62.13 C ATOM 711 O ARG A 51 26.881 -8.668 2.792 1.00 54.21 O ATOM 712 CB ARG A 51 28.436 -5.628 2.306 1.00 22.11 C ATOM 713 CG ARG A 51 28.611 -4.439 1.376 1.00 5.31 C ATOM 714 CD ARG A 51 29.974 -4.455 0.702 1.00 63.14 C ATOM 715 NE ARG A 51 29.990 -3.655 -0.520 1.00 71.22 N ATOM 716 CZ ARG A 51 30.970 -3.700 -1.416 1.00 30.43 C ATOM 717 NH1 ARG A 51 32.008 -4.503 -1.227 1.00 43.01 N ATOM 718 NH2 ARG A 51 30.912 -2.942 -2.503 1.00 3.00 N ATOM 0 H ARG A 51 26.322 -6.673 4.014 1.00 64.23 H new ATOM 0 HA ARG A 51 26.663 -6.048 1.166 1.00 53.35 H new ATOM 0 HB2 ARG A 51 28.487 -5.282 3.338 1.00 22.11 H new ATOM 0 HB3 ARG A 51 29.267 -6.318 2.160 1.00 22.11 H new ATOM 0 HG2 ARG A 51 27.829 -4.451 0.617 1.00 5.31 H new ATOM 0 HG3 ARG A 51 28.494 -3.514 1.940 1.00 5.31 H new ATOM 0 HD2 ARG A 51 30.725 -4.074 1.394 1.00 63.14 H new ATOM 0 HD3 ARG A 51 30.250 -5.483 0.466 1.00 63.14 H new ATOM 0 HE ARG A 51 29.205 -3.027 -0.695 1.00 71.22 H new ATOM 0 HH11 ARG A 51 32.055 -5.088 -0.393 1.00 43.01 H new ATOM 0 HH12 ARG A 51 32.759 -4.536 -1.916 1.00 43.01 H new ATOM 0 HH21 ARG A 51 30.114 -2.324 -2.652 1.00 3.00 H new ATOM 0 HH22 ARG A 51 31.665 -2.977 -3.190 1.00 3.00 H new ATOM 732 N VAL A 52 28.195 -8.265 1.010 1.00 15.02 N ATOM 733 CA VAL A 52 28.532 -9.668 0.804 1.00 24.32 C ATOM 734 C VAL A 52 29.126 -10.282 2.067 1.00 11.23 C ATOM 735 O VAL A 52 30.017 -9.706 2.690 1.00 64.32 O ATOM 736 CB VAL A 52 29.531 -9.841 -0.355 1.00 44.44 C ATOM 737 CG1 VAL A 52 28.929 -9.337 -1.658 1.00 64.34 C ATOM 738 CG2 VAL A 52 30.835 -9.119 -0.047 1.00 33.21 C ATOM 0 H VAL A 52 28.625 -7.625 0.342 1.00 15.02 H new ATOM 0 HA VAL A 52 27.604 -10.183 0.555 1.00 24.32 H new ATOM 0 HB VAL A 52 29.748 -10.903 -0.469 1.00 44.44 H new ATOM 0 HG11 VAL A 52 29.649 -9.467 -2.466 1.00 64.34 H new ATOM 0 HG12 VAL A 52 28.025 -9.902 -1.884 1.00 64.34 H new ATOM 0 HG13 VAL A 52 28.681 -8.280 -1.560 1.00 64.34 H new ATOM 0 HG21 VAL A 52 31.529 -9.252 -0.877 1.00 33.21 H new ATOM 0 HG22 VAL A 52 30.638 -8.056 0.095 1.00 33.21 H new ATOM 0 HG23 VAL A 52 31.273 -9.531 0.862 1.00 33.21 H new ATOM 748 N GLY A 53 28.625 -11.456 2.441 1.00 52.54 N ATOM 749 CA GLY A 53 29.118 -12.129 3.628 1.00 13.30 C ATOM 750 C GLY A 53 28.305 -11.795 4.863 1.00 33.01 C ATOM 751 O GLY A 53 28.664 -12.184 5.975 1.00 52.13 O ATOM 0 H GLY A 53 27.886 -11.953 1.943 1.00 52.54 H new ATOM 0 HA2 GLY A 53 29.100 -13.207 3.465 1.00 13.30 H new ATOM 0 HA3 GLY A 53 30.158 -11.849 3.795 1.00 13.30 H new ATOM 755 N ASP A 54 27.208 -11.072 4.669 1.00 15.45 N ATOM 756 CA ASP A 54 26.341 -10.685 5.777 1.00 3.21 C ATOM 757 C ASP A 54 25.099 -11.568 5.830 1.00 71.54 C ATOM 758 O ASP A 54 24.442 -11.792 4.813 1.00 11.42 O ATOM 759 CB ASP A 54 25.933 -9.217 5.645 1.00 41.23 C ATOM 760 CG ASP A 54 27.107 -8.272 5.814 1.00 73.04 C ATOM 761 OD1 ASP A 54 28.162 -8.519 5.193 1.00 60.30 O ATOM 762 OD2 ASP A 54 26.970 -7.285 6.566 1.00 55.13 O ATOM 0 H ASP A 54 26.897 -10.742 3.755 1.00 15.45 H new ATOM 0 HA ASP A 54 26.898 -10.817 6.704 1.00 3.21 H new ATOM 0 HB2 ASP A 54 25.478 -9.056 4.668 1.00 41.23 H new ATOM 0 HB3 ASP A 54 25.174 -8.985 6.392 1.00 41.23 H new ATOM 767 N GLN A 55 24.785 -12.069 7.020 1.00 14.31 N ATOM 768 CA GLN A 55 23.622 -12.929 7.204 1.00 60.42 C ATOM 769 C GLN A 55 22.400 -12.114 7.614 1.00 4.04 C ATOM 770 O GLN A 55 22.495 -11.209 8.445 1.00 43.03 O ATOM 771 CB GLN A 55 23.914 -13.999 8.258 1.00 41.31 C ATOM 772 CG GLN A 55 24.938 -15.030 7.811 1.00 1.43 C ATOM 773 CD GLN A 55 25.575 -15.762 8.976 1.00 73.43 C ATOM 774 OE1 GLN A 55 25.952 -15.152 9.976 1.00 24.24 O ATOM 775 NE2 GLN A 55 25.697 -17.079 8.852 1.00 40.25 N ATOM 0 H GLN A 55 25.319 -11.894 7.871 1.00 14.31 H new ATOM 0 HA GLN A 55 23.408 -13.415 6.252 1.00 60.42 H new ATOM 0 HB2 GLN A 55 24.272 -13.514 9.166 1.00 41.31 H new ATOM 0 HB3 GLN A 55 22.985 -14.509 8.513 1.00 41.31 H new ATOM 0 HG2 GLN A 55 24.457 -15.753 7.152 1.00 1.43 H new ATOM 0 HG3 GLN A 55 25.715 -14.536 7.228 1.00 1.43 H new ATOM 0 HE21 GLN A 55 25.371 -17.544 8.005 1.00 40.25 H new ATOM 0 HE22 GLN A 55 26.117 -17.625 9.604 1.00 40.25 H new ATOM 784 N LEU A 56 21.254 -12.440 7.028 1.00 13.51 N ATOM 785 CA LEU A 56 20.012 -11.737 7.333 1.00 41.13 C ATOM 786 C LEU A 56 18.917 -12.718 7.740 1.00 2.31 C ATOM 787 O LEU A 56 18.423 -13.489 6.918 1.00 53.01 O ATOM 788 CB LEU A 56 19.556 -10.919 6.123 1.00 32.12 C ATOM 789 CG LEU A 56 20.099 -9.493 6.034 1.00 41.41 C ATOM 790 CD1 LEU A 56 19.463 -8.612 7.098 1.00 5.24 C ATOM 791 CD2 LEU A 56 21.615 -9.489 6.172 1.00 74.43 C ATOM 0 H LEU A 56 21.158 -13.186 6.339 1.00 13.51 H new ATOM 0 HA LEU A 56 20.200 -11.064 8.169 1.00 41.13 H new ATOM 0 HB2 LEU A 56 19.845 -11.454 5.218 1.00 32.12 H new ATOM 0 HB3 LEU A 56 18.467 -10.872 6.131 1.00 32.12 H new ATOM 0 HG LEU A 56 19.842 -9.088 5.055 1.00 41.41 H new ATOM 0 HD11 LEU A 56 19.862 -7.601 7.019 1.00 5.24 H new ATOM 0 HD12 LEU A 56 18.383 -8.588 6.953 1.00 5.24 H new ATOM 0 HD13 LEU A 56 19.688 -9.015 8.086 1.00 5.24 H new ATOM 0 HD21 LEU A 56 21.984 -8.465 6.106 1.00 74.43 H new ATOM 0 HD22 LEU A 56 21.894 -9.914 7.136 1.00 74.43 H new ATOM 0 HD23 LEU A 56 22.055 -10.085 5.372 1.00 74.43 H new ATOM 803 N VAL A 57 18.541 -12.681 9.015 1.00 63.24 N ATOM 804 CA VAL A 57 17.502 -13.564 9.531 1.00 63.31 C ATOM 805 C VAL A 57 16.205 -12.802 9.775 1.00 32.11 C ATOM 806 O VAL A 57 15.120 -13.280 9.443 1.00 21.50 O ATOM 807 CB VAL A 57 17.942 -14.241 10.843 1.00 70.34 C ATOM 808 CG1 VAL A 57 18.908 -15.381 10.558 1.00 44.13 C ATOM 809 CG2 VAL A 57 18.568 -13.223 11.783 1.00 30.05 C ATOM 0 H VAL A 57 18.941 -12.049 9.709 1.00 63.24 H new ATOM 0 HA VAL A 57 17.333 -14.330 8.774 1.00 63.31 H new ATOM 0 HB VAL A 57 17.060 -14.657 11.330 1.00 70.34 H new ATOM 0 HG11 VAL A 57 19.208 -15.847 11.497 1.00 44.13 H new ATOM 0 HG12 VAL A 57 18.420 -16.122 9.925 1.00 44.13 H new ATOM 0 HG13 VAL A 57 19.789 -14.992 10.048 1.00 44.13 H new ATOM 0 HG21 VAL A 57 18.873 -13.718 12.705 1.00 30.05 H new ATOM 0 HG22 VAL A 57 19.440 -12.775 11.306 1.00 30.05 H new ATOM 0 HG23 VAL A 57 17.840 -12.445 12.013 1.00 30.05 H new ATOM 819 N ARG A 58 16.324 -11.613 10.357 1.00 32.44 N ATOM 820 CA ARG A 58 15.160 -10.785 10.647 1.00 11.41 C ATOM 821 C ARG A 58 14.270 -11.444 11.697 1.00 65.21 C ATOM 822 O ARG A 58 13.146 -11.004 11.938 1.00 22.33 O ATOM 823 CB ARG A 58 14.357 -10.531 9.370 1.00 43.13 C ATOM 824 CG ARG A 58 13.529 -9.257 9.414 1.00 73.41 C ATOM 825 CD ARG A 58 12.095 -9.510 8.976 1.00 34.51 C ATOM 826 NE ARG A 58 11.223 -9.817 10.107 1.00 11.32 N ATOM 827 CZ ARG A 58 10.745 -8.896 10.937 1.00 22.11 C ATOM 828 NH1 ARG A 58 11.053 -7.618 10.763 1.00 33.21 N ATOM 829 NH2 ARG A 58 9.958 -9.253 11.944 1.00 74.14 N ATOM 0 H ARG A 58 17.215 -11.202 10.637 1.00 32.44 H new ATOM 0 HA ARG A 58 15.514 -9.833 11.042 1.00 11.41 H new ATOM 0 HB2 ARG A 58 15.043 -10.480 8.524 1.00 43.13 H new ATOM 0 HB3 ARG A 58 13.695 -11.379 9.193 1.00 43.13 H new ATOM 0 HG2 ARG A 58 13.536 -8.852 10.426 1.00 73.41 H new ATOM 0 HG3 ARG A 58 13.981 -8.505 8.767 1.00 73.41 H new ATOM 0 HD2 ARG A 58 11.715 -8.632 8.454 1.00 34.51 H new ATOM 0 HD3 ARG A 58 12.073 -10.337 8.267 1.00 34.51 H new ATOM 0 HE ARG A 58 10.967 -10.791 10.268 1.00 11.32 H new ATOM 0 HH11 ARG A 58 11.658 -7.340 9.991 1.00 33.21 H new ATOM 0 HH12 ARG A 58 10.685 -6.913 11.402 1.00 33.21 H new ATOM 0 HH21 ARG A 58 9.720 -10.235 12.081 1.00 74.14 H new ATOM 0 HH22 ARG A 58 9.592 -8.545 12.581 1.00 74.14 H new ATOM 843 N PHE A 59 14.782 -12.502 12.318 1.00 74.12 N ATOM 844 CA PHE A 59 14.033 -13.224 13.341 1.00 45.34 C ATOM 845 C PHE A 59 14.953 -13.672 14.473 1.00 42.42 C ATOM 846 O PHE A 59 15.821 -14.523 14.282 1.00 34.40 O ATOM 847 CB PHE A 59 13.332 -14.437 12.728 1.00 35.52 C ATOM 848 CG PHE A 59 11.885 -14.194 12.405 1.00 42.53 C ATOM 849 CD1 PHE A 59 10.900 -14.435 13.349 1.00 42.11 C ATOM 850 CD2 PHE A 59 11.511 -13.722 11.157 1.00 74.32 C ATOM 851 CE1 PHE A 59 9.569 -14.212 13.053 1.00 13.04 C ATOM 852 CE2 PHE A 59 10.181 -13.497 10.856 1.00 75.03 C ATOM 853 CZ PHE A 59 9.208 -13.741 11.806 1.00 64.32 C ATOM 0 H PHE A 59 15.711 -12.878 12.131 1.00 74.12 H new ATOM 0 HA PHE A 59 13.283 -12.549 13.752 1.00 45.34 H new ATOM 0 HB2 PHE A 59 13.856 -14.727 11.817 1.00 35.52 H new ATOM 0 HB3 PHE A 59 13.406 -15.277 13.419 1.00 35.52 H new ATOM 0 HD1 PHE A 59 11.176 -14.801 14.327 1.00 42.11 H new ATOM 0 HD2 PHE A 59 12.267 -13.528 10.411 1.00 74.32 H new ATOM 0 HE1 PHE A 59 8.811 -14.406 13.797 1.00 13.04 H new ATOM 0 HE2 PHE A 59 9.903 -13.131 9.879 1.00 75.03 H new ATOM 0 HZ PHE A 59 8.168 -13.564 11.574 1.00 64.32 H new ATOM 863 N ALA A 60 14.757 -13.090 15.652 1.00 72.23 N ATOM 864 CA ALA A 60 15.567 -13.430 16.815 1.00 14.31 C ATOM 865 C ALA A 60 17.027 -13.046 16.599 1.00 74.14 C ATOM 866 O ALA A 60 17.487 -12.015 17.087 1.00 32.35 O ATOM 867 CB ALA A 60 15.449 -14.915 17.125 1.00 44.33 C ATOM 0 H ALA A 60 14.045 -12.381 15.827 1.00 72.23 H new ATOM 0 HA ALA A 60 15.192 -12.862 17.666 1.00 14.31 H new ATOM 0 HB1 ALA A 60 16.059 -15.154 17.996 1.00 44.33 H new ATOM 0 HB2 ALA A 60 14.408 -15.162 17.333 1.00 44.33 H new ATOM 0 HB3 ALA A 60 15.795 -15.494 16.269 1.00 44.33 H new ATOM 873 N GLY A 61 17.751 -13.884 15.863 1.00 40.23 N ATOM 874 CA GLY A 61 19.152 -13.615 15.595 1.00 11.05 C ATOM 875 C GLY A 61 19.898 -14.845 15.119 1.00 73.54 C ATOM 876 O GLY A 61 21.097 -14.985 15.359 1.00 1.01 O ATOM 0 H GLY A 61 17.393 -14.744 15.448 1.00 40.23 H new ATOM 0 HA2 GLY A 61 19.231 -12.832 14.841 1.00 11.05 H new ATOM 0 HA3 GLY A 61 19.625 -13.235 16.500 1.00 11.05 H new ATOM 880 N TYR A 62 19.187 -15.741 14.442 1.00 12.23 N ATOM 881 CA TYR A 62 19.788 -16.968 13.934 1.00 20.21 C ATOM 882 C TYR A 62 18.723 -17.903 13.370 1.00 71.51 C ATOM 883 O TYR A 62 18.794 -19.121 13.542 1.00 53.04 O ATOM 884 CB TYR A 62 20.568 -17.676 15.043 1.00 4.22 C ATOM 885 CG TYR A 62 19.864 -17.665 16.381 1.00 1.30 C ATOM 886 CD1 TYR A 62 18.736 -18.445 16.601 1.00 72.54 C ATOM 887 CD2 TYR A 62 20.326 -16.873 17.425 1.00 11.11 C ATOM 888 CE1 TYR A 62 18.088 -18.438 17.821 1.00 65.10 C ATOM 889 CE2 TYR A 62 19.686 -16.860 18.649 1.00 31.42 C ATOM 890 CZ TYR A 62 18.568 -17.644 18.842 1.00 34.42 C ATOM 891 OH TYR A 62 17.926 -17.634 20.060 1.00 43.33 O ATOM 0 H TYR A 62 18.194 -15.640 14.233 1.00 12.23 H new ATOM 0 HA TYR A 62 20.474 -16.701 13.130 1.00 20.21 H new ATOM 0 HB2 TYR A 62 20.749 -18.709 14.746 1.00 4.22 H new ATOM 0 HB3 TYR A 62 21.543 -17.200 15.151 1.00 4.22 H new ATOM 0 HD1 TYR A 62 18.359 -19.068 15.804 1.00 72.54 H new ATOM 0 HD2 TYR A 62 21.201 -16.257 17.277 1.00 11.11 H new ATOM 0 HE1 TYR A 62 17.211 -19.050 17.974 1.00 65.10 H new ATOM 0 HE2 TYR A 62 20.059 -16.239 19.450 1.00 31.42 H new ATOM 0 HH TYR A 62 18.391 -17.024 20.670 1.00 43.33 H new ATOM 901 N THR A 63 17.735 -17.325 12.694 1.00 33.32 N ATOM 902 CA THR A 63 16.654 -18.105 12.104 1.00 12.23 C ATOM 903 C THR A 63 15.961 -17.329 10.990 1.00 63.03 C ATOM 904 O THR A 63 15.445 -16.233 11.210 1.00 20.42 O ATOM 905 CB THR A 63 15.608 -18.505 13.162 1.00 71.31 C ATOM 906 OG1 THR A 63 14.396 -18.919 12.521 1.00 64.33 O ATOM 907 CG2 THR A 63 15.319 -17.346 14.103 1.00 11.32 C ATOM 0 H THR A 63 17.661 -16.319 12.541 1.00 33.32 H new ATOM 0 HA THR A 63 17.105 -19.007 11.689 1.00 12.23 H new ATOM 0 HB THR A 63 16.012 -19.333 13.745 1.00 71.31 H new ATOM 0 HG1 THR A 63 13.737 -19.173 13.200 1.00 64.33 H new ATOM 0 HG21 THR A 63 14.578 -17.653 14.841 1.00 11.32 H new ATOM 0 HG22 THR A 63 16.237 -17.052 14.611 1.00 11.32 H new ATOM 0 HG23 THR A 63 14.934 -16.501 13.532 1.00 11.32 H new ATOM 915 N VAL A 64 15.953 -17.904 9.791 1.00 30.33 N ATOM 916 CA VAL A 64 15.322 -17.267 8.642 1.00 73.22 C ATOM 917 C VAL A 64 14.520 -18.275 7.826 1.00 23.41 C ATOM 918 O VAL A 64 14.651 -19.486 8.011 1.00 3.12 O ATOM 919 CB VAL A 64 16.365 -16.598 7.728 1.00 3.40 C ATOM 920 CG1 VAL A 64 16.955 -17.611 6.759 1.00 52.34 C ATOM 921 CG2 VAL A 64 15.744 -15.429 6.978 1.00 4.32 C ATOM 0 H VAL A 64 16.377 -18.810 9.591 1.00 30.33 H new ATOM 0 HA VAL A 64 14.650 -16.504 9.034 1.00 73.22 H new ATOM 0 HB VAL A 64 17.173 -16.213 8.350 1.00 3.40 H new ATOM 0 HG11 VAL A 64 17.690 -17.119 6.122 1.00 52.34 H new ATOM 0 HG12 VAL A 64 17.438 -18.412 7.319 1.00 52.34 H new ATOM 0 HG13 VAL A 64 16.160 -18.029 6.141 1.00 52.34 H new ATOM 0 HG21 VAL A 64 16.495 -14.968 6.337 1.00 4.32 H new ATOM 0 HG22 VAL A 64 14.916 -15.788 6.367 1.00 4.32 H new ATOM 0 HG23 VAL A 64 15.375 -14.693 7.692 1.00 4.32 H new ATOM 931 N THR A 65 13.689 -17.769 6.921 1.00 51.22 N ATOM 932 CA THR A 65 12.865 -18.624 6.076 1.00 30.32 C ATOM 933 C THR A 65 13.515 -18.843 4.715 1.00 22.50 C ATOM 934 O THR A 65 14.134 -19.879 4.473 1.00 72.14 O ATOM 935 CB THR A 65 11.460 -18.026 5.871 1.00 23.32 C ATOM 936 OG1 THR A 65 10.761 -17.979 7.120 1.00 41.31 O ATOM 937 CG2 THR A 65 10.664 -18.848 4.869 1.00 55.41 C ATOM 0 H THR A 65 13.569 -16.770 6.754 1.00 51.22 H new ATOM 0 HA THR A 65 12.773 -19.581 6.590 1.00 30.32 H new ATOM 0 HB THR A 65 11.572 -17.015 5.480 1.00 23.32 H new ATOM 0 HG1 THR A 65 9.870 -17.596 6.982 1.00 41.31 H new ATOM 0 HG21 THR A 65 9.676 -18.407 4.740 1.00 55.41 H new ATOM 0 HG22 THR A 65 11.184 -18.858 3.911 1.00 55.41 H new ATOM 0 HG23 THR A 65 10.561 -19.869 5.236 1.00 55.41 H new ATOM 945 N GLU A 66 13.371 -17.861 3.831 1.00 63.55 N ATOM 946 CA GLU A 66 13.946 -17.949 2.493 1.00 14.21 C ATOM 947 C GLU A 66 14.113 -16.561 1.881 1.00 3.13 C ATOM 948 O GLU A 66 13.634 -15.567 2.428 1.00 11.22 O ATOM 949 CB GLU A 66 13.063 -18.813 1.590 1.00 13.12 C ATOM 950 CG GLU A 66 11.629 -18.319 1.488 1.00 64.13 C ATOM 951 CD GLU A 66 10.615 -19.436 1.639 1.00 23.23 C ATOM 952 OE1 GLU A 66 10.947 -20.590 1.298 1.00 65.33 O ATOM 953 OE2 GLU A 66 9.489 -19.155 2.100 1.00 31.51 O ATOM 0 H GLU A 66 12.862 -16.997 4.016 1.00 63.55 H new ATOM 0 HA GLU A 66 14.929 -18.411 2.578 1.00 14.21 H new ATOM 0 HB2 GLU A 66 13.499 -18.844 0.592 1.00 13.12 H new ATOM 0 HB3 GLU A 66 13.060 -19.835 1.969 1.00 13.12 H new ATOM 0 HG2 GLU A 66 11.452 -17.567 2.257 1.00 64.13 H new ATOM 0 HG3 GLU A 66 11.485 -17.830 0.524 1.00 64.13 H new ATOM 960 N LEU A 67 14.797 -16.501 0.744 1.00 23.01 N ATOM 961 CA LEU A 67 15.030 -15.235 0.057 1.00 73.42 C ATOM 962 C LEU A 67 13.714 -14.619 -0.408 1.00 44.23 C ATOM 963 O LEU A 67 13.592 -13.399 -0.511 1.00 54.31 O ATOM 964 CB LEU A 67 15.959 -15.446 -1.140 1.00 10.50 C ATOM 965 CG LEU A 67 15.563 -16.559 -2.110 1.00 21.42 C ATOM 966 CD1 LEU A 67 14.502 -16.068 -3.082 1.00 71.42 C ATOM 967 CD2 LEU A 67 16.783 -17.070 -2.862 1.00 62.12 C ATOM 0 H LEU A 67 15.200 -17.314 0.278 1.00 23.01 H new ATOM 0 HA LEU A 67 15.503 -14.549 0.760 1.00 73.42 H new ATOM 0 HB2 LEU A 67 16.019 -14.511 -1.697 1.00 10.50 H new ATOM 0 HB3 LEU A 67 16.960 -15.658 -0.764 1.00 10.50 H new ATOM 0 HG LEU A 67 15.144 -17.384 -1.534 1.00 21.42 H new ATOM 0 HD11 LEU A 67 14.233 -16.874 -3.765 1.00 71.42 H new ATOM 0 HD12 LEU A 67 13.619 -15.752 -2.527 1.00 71.42 H new ATOM 0 HD13 LEU A 67 14.893 -15.225 -3.652 1.00 71.42 H new ATOM 0 HD21 LEU A 67 16.482 -17.862 -3.548 1.00 62.12 H new ATOM 0 HD22 LEU A 67 17.232 -16.252 -3.426 1.00 62.12 H new ATOM 0 HD23 LEU A 67 17.510 -17.462 -2.151 1.00 62.12 H new ATOM 979 N ALA A 68 12.733 -15.471 -0.686 1.00 50.21 N ATOM 980 CA ALA A 68 11.425 -15.010 -1.136 1.00 5.42 C ATOM 981 C ALA A 68 10.706 -14.239 -0.034 1.00 3.11 C ATOM 982 O ALA A 68 10.089 -13.205 -0.288 1.00 3.11 O ATOM 983 CB ALA A 68 10.580 -16.188 -1.597 1.00 1.34 C ATOM 0 H ALA A 68 12.819 -16.484 -0.608 1.00 50.21 H new ATOM 0 HA ALA A 68 11.575 -14.334 -1.978 1.00 5.42 H new ATOM 0 HB1 ALA A 68 9.606 -15.829 -1.930 1.00 1.34 H new ATOM 0 HB2 ALA A 68 11.081 -16.695 -2.421 1.00 1.34 H new ATOM 0 HB3 ALA A 68 10.446 -16.885 -0.770 1.00 1.34 H new ATOM 989 N ALA A 69 10.790 -14.750 1.190 1.00 14.32 N ATOM 990 CA ALA A 69 10.148 -14.108 2.331 1.00 73.31 C ATOM 991 C ALA A 69 10.733 -12.723 2.583 1.00 63.00 C ATOM 992 O ALA A 69 10.001 -11.764 2.830 1.00 25.21 O ATOM 993 CB ALA A 69 10.288 -14.977 3.572 1.00 11.44 C ATOM 0 H ALA A 69 11.296 -15.606 1.417 1.00 14.32 H new ATOM 0 HA ALA A 69 9.089 -13.989 2.102 1.00 73.31 H new ATOM 0 HB1 ALA A 69 9.804 -14.486 4.416 1.00 11.44 H new ATOM 0 HB2 ALA A 69 9.816 -15.943 3.395 1.00 11.44 H new ATOM 0 HB3 ALA A 69 11.345 -15.125 3.795 1.00 11.44 H new ATOM 999 N PHE A 70 12.057 -12.625 2.520 1.00 41.23 N ATOM 1000 CA PHE A 70 12.741 -11.356 2.743 1.00 61.41 C ATOM 1001 C PHE A 70 12.446 -10.373 1.614 1.00 64.43 C ATOM 1002 O PHE A 70 12.206 -9.191 1.853 1.00 4.10 O ATOM 1003 CB PHE A 70 14.250 -11.580 2.859 1.00 63.14 C ATOM 1004 CG PHE A 70 15.039 -10.306 2.957 1.00 44.13 C ATOM 1005 CD1 PHE A 70 15.277 -9.716 4.188 1.00 50.34 C ATOM 1006 CD2 PHE A 70 15.544 -9.699 1.818 1.00 0.42 C ATOM 1007 CE1 PHE A 70 16.002 -8.543 4.280 1.00 0.34 C ATOM 1008 CE2 PHE A 70 16.270 -8.526 1.905 1.00 43.31 C ATOM 1009 CZ PHE A 70 16.500 -7.948 3.138 1.00 44.31 C ATOM 0 H PHE A 70 12.677 -13.409 2.316 1.00 41.23 H new ATOM 0 HA PHE A 70 12.371 -10.931 3.676 1.00 61.41 H new ATOM 0 HB2 PHE A 70 14.452 -12.192 3.738 1.00 63.14 H new ATOM 0 HB3 PHE A 70 14.593 -12.145 1.992 1.00 63.14 H new ATOM 0 HD1 PHE A 70 14.892 -10.178 5.085 1.00 50.34 H new ATOM 0 HD2 PHE A 70 15.368 -10.148 0.851 1.00 0.42 H new ATOM 0 HE1 PHE A 70 16.179 -8.092 5.245 1.00 0.34 H new ATOM 0 HE2 PHE A 70 16.657 -8.062 1.010 1.00 43.31 H new ATOM 0 HZ PHE A 70 17.068 -7.032 3.209 1.00 44.31 H new ATOM 1019 N ASN A 71 12.467 -10.873 0.382 1.00 2.31 N ATOM 1020 CA ASN A 71 12.204 -10.039 -0.785 1.00 55.01 C ATOM 1021 C ASN A 71 10.741 -9.608 -0.826 1.00 53.23 C ATOM 1022 O ASN A 71 10.418 -8.505 -1.271 1.00 64.51 O ATOM 1023 CB ASN A 71 12.561 -10.793 -2.068 1.00 31.05 C ATOM 1024 CG ASN A 71 12.397 -9.935 -3.307 1.00 72.34 C ATOM 1025 OD1 ASN A 71 12.575 -8.718 -3.262 1.00 13.04 O ATOM 1026 ND2 ASN A 71 12.055 -10.568 -4.424 1.00 25.44 N ATOM 0 H ASN A 71 12.663 -11.851 0.167 1.00 2.31 H new ATOM 0 HA ASN A 71 12.826 -9.147 -0.711 1.00 55.01 H new ATOM 0 HB2 ASN A 71 13.591 -11.143 -2.006 1.00 31.05 H new ATOM 0 HB3 ASN A 71 11.929 -11.677 -2.155 1.00 31.05 H new ATOM 0 HD21 ASN A 71 11.930 -10.043 -5.290 1.00 25.44 H new ATOM 0 HD22 ASN A 71 11.918 -11.579 -4.416 1.00 25.44 H new ATOM 1033 N THR A 72 9.857 -10.485 -0.359 1.00 4.53 N ATOM 1034 CA THR A 72 8.429 -10.196 -0.342 1.00 40.32 C ATOM 1035 C THR A 72 8.091 -9.152 0.716 1.00 43.41 C ATOM 1036 O THR A 72 7.322 -8.224 0.464 1.00 34.42 O ATOM 1037 CB THR A 72 7.602 -11.467 -0.075 1.00 32.33 C ATOM 1038 OG1 THR A 72 7.784 -12.404 -1.143 1.00 11.25 O ATOM 1039 CG2 THR A 72 6.125 -11.132 0.066 1.00 33.24 C ATOM 0 H THR A 72 10.106 -11.402 0.013 1.00 4.53 H new ATOM 0 HA THR A 72 8.174 -9.806 -1.327 1.00 40.32 H new ATOM 0 HB THR A 72 7.949 -11.910 0.859 1.00 32.33 H new ATOM 0 HG1 THR A 72 8.719 -12.696 -1.166 1.00 11.25 H new ATOM 0 HG21 THR A 72 5.561 -12.046 0.254 1.00 33.24 H new ATOM 0 HG22 THR A 72 5.986 -10.442 0.898 1.00 33.24 H new ATOM 0 HG23 THR A 72 5.768 -10.668 -0.853 1.00 33.24 H new ATOM 1047 N VAL A 73 8.672 -9.308 1.901 1.00 5.52 N ATOM 1048 CA VAL A 73 8.434 -8.377 2.998 1.00 43.53 C ATOM 1049 C VAL A 73 8.993 -6.995 2.677 1.00 44.01 C ATOM 1050 O VAL A 73 8.309 -5.984 2.836 1.00 22.05 O ATOM 1051 CB VAL A 73 9.064 -8.881 4.309 1.00 25.34 C ATOM 1052 CG1 VAL A 73 8.897 -7.849 5.414 1.00 22.22 C ATOM 1053 CG2 VAL A 73 8.453 -10.213 4.716 1.00 75.41 C ATOM 0 H VAL A 73 9.311 -10.070 2.126 1.00 5.52 H new ATOM 0 HA VAL A 73 7.354 -8.309 3.126 1.00 43.53 H new ATOM 0 HB VAL A 73 10.131 -9.032 4.144 1.00 25.34 H new ATOM 0 HG11 VAL A 73 9.349 -8.223 6.333 1.00 22.22 H new ATOM 0 HG12 VAL A 73 9.386 -6.920 5.121 1.00 22.22 H new ATOM 0 HG13 VAL A 73 7.836 -7.663 5.581 1.00 22.22 H new ATOM 0 HG21 VAL A 73 8.910 -10.554 5.645 1.00 75.41 H new ATOM 0 HG22 VAL A 73 7.380 -10.091 4.863 1.00 75.41 H new ATOM 0 HG23 VAL A 73 8.631 -10.949 3.932 1.00 75.41 H new ATOM 1063 N VAL A 74 10.242 -6.959 2.223 1.00 42.33 N ATOM 1064 CA VAL A 74 10.894 -5.701 1.877 1.00 32.03 C ATOM 1065 C VAL A 74 10.153 -4.989 0.751 1.00 33.30 C ATOM 1066 O VAL A 74 9.957 -3.775 0.793 1.00 22.11 O ATOM 1067 CB VAL A 74 12.357 -5.925 1.453 1.00 63.33 C ATOM 1068 CG1 VAL A 74 12.991 -4.616 1.009 1.00 43.14 C ATOM 1069 CG2 VAL A 74 13.151 -6.553 2.589 1.00 71.14 C ATOM 0 H VAL A 74 10.823 -7.786 2.086 1.00 42.33 H new ATOM 0 HA VAL A 74 10.874 -5.078 2.771 1.00 32.03 H new ATOM 0 HB VAL A 74 12.370 -6.613 0.607 1.00 63.33 H new ATOM 0 HG11 VAL A 74 14.025 -4.794 0.713 1.00 43.14 H new ATOM 0 HG12 VAL A 74 12.436 -4.212 0.163 1.00 43.14 H new ATOM 0 HG13 VAL A 74 12.967 -3.902 1.833 1.00 43.14 H new ATOM 0 HG21 VAL A 74 14.183 -6.704 2.272 1.00 71.14 H new ATOM 0 HG22 VAL A 74 13.131 -5.892 3.456 1.00 71.14 H new ATOM 0 HG23 VAL A 74 12.709 -7.513 2.855 1.00 71.14 H new ATOM 1079 N ALA A 75 9.742 -5.754 -0.255 1.00 51.04 N ATOM 1080 CA ALA A 75 9.020 -5.197 -1.392 1.00 73.14 C ATOM 1081 C ALA A 75 7.598 -4.806 -1.002 1.00 24.10 C ATOM 1082 O ALA A 75 7.056 -3.820 -1.502 1.00 22.41 O ATOM 1083 CB ALA A 75 8.998 -6.193 -2.543 1.00 2.42 C ATOM 0 H ALA A 75 9.897 -6.761 -0.306 1.00 51.04 H new ATOM 0 HA ALA A 75 9.541 -4.296 -1.715 1.00 73.14 H new ATOM 0 HB1 ALA A 75 8.456 -5.764 -3.385 1.00 2.42 H new ATOM 0 HB2 ALA A 75 10.020 -6.420 -2.847 1.00 2.42 H new ATOM 0 HB3 ALA A 75 8.503 -7.109 -2.222 1.00 2.42 H new ATOM 1089 N ARG A 76 7.000 -5.585 -0.107 1.00 22.22 N ATOM 1090 CA ARG A 76 5.641 -5.321 0.349 1.00 53.11 C ATOM 1091 C ARG A 76 5.585 -4.042 1.180 1.00 73.32 C ATOM 1092 O ARG A 76 4.621 -3.280 1.101 1.00 33.13 O ATOM 1093 CB ARG A 76 5.118 -6.500 1.172 1.00 53.23 C ATOM 1094 CG ARG A 76 4.493 -7.600 0.330 1.00 60.51 C ATOM 1095 CD ARG A 76 3.262 -7.104 -0.412 1.00 12.14 C ATOM 1096 NE ARG A 76 2.368 -8.198 -0.783 1.00 45.24 N ATOM 1097 CZ ARG A 76 1.434 -8.097 -1.722 1.00 41.11 C ATOM 1098 NH1 ARG A 76 1.272 -6.958 -2.381 1.00 12.21 N ATOM 1099 NH2 ARG A 76 0.660 -9.137 -2.004 1.00 32.02 N ATOM 0 H ARG A 76 7.435 -6.404 0.317 1.00 22.22 H new ATOM 0 HA ARG A 76 5.009 -5.191 -0.529 1.00 53.11 H new ATOM 0 HB2 ARG A 76 5.940 -6.920 1.752 1.00 53.23 H new ATOM 0 HB3 ARG A 76 4.379 -6.135 1.885 1.00 53.23 H new ATOM 0 HG2 ARG A 76 5.226 -7.972 -0.386 1.00 60.51 H new ATOM 0 HG3 ARG A 76 4.220 -8.439 0.970 1.00 60.51 H new ATOM 0 HD2 ARG A 76 2.724 -6.393 0.214 1.00 12.14 H new ATOM 0 HD3 ARG A 76 3.571 -6.568 -1.310 1.00 12.14 H new ATOM 0 HE ARG A 76 2.466 -9.088 -0.294 1.00 45.24 H new ATOM 0 HH11 ARG A 76 1.865 -6.156 -2.167 1.00 12.21 H new ATOM 0 HH12 ARG A 76 0.554 -6.883 -3.102 1.00 12.21 H new ATOM 0 HH21 ARG A 76 0.782 -10.015 -1.500 1.00 32.02 H new ATOM 0 HH22 ARG A 76 -0.057 -9.058 -2.725 1.00 32.02 H new ATOM 1113 N HIS A 77 6.624 -3.814 1.976 1.00 24.11 N ATOM 1114 CA HIS A 77 6.694 -2.628 2.822 1.00 53.32 C ATOM 1115 C HIS A 77 7.086 -1.400 2.005 1.00 72.32 C ATOM 1116 O HIS A 77 6.233 -0.601 1.618 1.00 1.34 O ATOM 1117 CB HIS A 77 7.697 -2.842 3.956 1.00 53.33 C ATOM 1118 CG HIS A 77 7.188 -3.735 5.045 1.00 52.20 C ATOM 1119 ND1 HIS A 77 7.790 -3.832 6.281 1.00 24.34 N ATOM 1120 CD2 HIS A 77 6.125 -4.573 5.079 1.00 43.22 C ATOM 1121 CE1 HIS A 77 7.122 -4.693 7.028 1.00 14.21 C ATOM 1122 NE2 HIS A 77 6.106 -5.156 6.322 1.00 62.22 N ATOM 0 H HIS A 77 7.430 -4.435 2.053 1.00 24.11 H new ATOM 0 HA HIS A 77 5.706 -2.458 3.249 1.00 53.32 H new ATOM 0 HB2 HIS A 77 8.612 -3.269 3.545 1.00 53.33 H new ATOM 0 HB3 HIS A 77 7.961 -1.875 4.384 1.00 53.33 H new ATOM 0 HD2 HIS A 77 5.423 -4.750 4.278 1.00 43.22 H new ATOM 0 HE1 HIS A 77 7.365 -4.971 8.043 1.00 14.21 H new ATOM 0 HE2 HIS A 77 5.419 -5.836 6.647 1.00 62.22 H new ATOM 1130 N VAL A 78 8.382 -1.257 1.746 1.00 53.12 N ATOM 1131 CA VAL A 78 8.887 -0.127 0.975 1.00 72.34 C ATOM 1132 C VAL A 78 8.265 1.182 1.446 1.00 14.11 C ATOM 1133 O VAL A 78 7.615 1.886 0.673 1.00 42.51 O ATOM 1134 CB VAL A 78 8.606 -0.304 -0.529 1.00 70.15 C ATOM 1135 CG1 VAL A 78 9.329 0.763 -1.337 1.00 10.11 C ATOM 1136 CG2 VAL A 78 9.012 -1.697 -0.987 1.00 4.12 C ATOM 0 H VAL A 78 9.101 -1.909 2.059 1.00 53.12 H new ATOM 0 HA VAL A 78 9.965 -0.092 1.134 1.00 72.34 H new ATOM 0 HB VAL A 78 7.535 -0.189 -0.696 1.00 70.15 H new ATOM 0 HG11 VAL A 78 9.118 0.622 -2.397 1.00 10.11 H new ATOM 0 HG12 VAL A 78 8.985 1.750 -1.027 1.00 10.11 H new ATOM 0 HG13 VAL A 78 10.403 0.683 -1.167 1.00 10.11 H new ATOM 0 HG21 VAL A 78 8.806 -1.804 -2.052 1.00 4.12 H new ATOM 0 HG22 VAL A 78 10.077 -1.843 -0.807 1.00 4.12 H new ATOM 0 HG23 VAL A 78 8.444 -2.443 -0.431 1.00 4.12 H new ATOM 1146 N ARG A 79 8.468 1.503 2.720 1.00 72.42 N ATOM 1147 CA ARG A 79 7.926 2.728 3.295 1.00 20.32 C ATOM 1148 C ARG A 79 8.889 3.895 3.095 1.00 75.45 C ATOM 1149 O ARG A 79 10.086 3.713 2.875 1.00 23.30 O ATOM 1150 CB ARG A 79 7.645 2.535 4.787 1.00 41.14 C ATOM 1151 CG ARG A 79 6.308 1.872 5.074 1.00 53.42 C ATOM 1152 CD ARG A 79 5.311 2.860 5.660 1.00 50.12 C ATOM 1153 NE ARG A 79 5.794 3.453 6.904 1.00 24.51 N ATOM 1154 CZ ARG A 79 5.290 4.561 7.435 1.00 32.52 C ATOM 1155 NH1 ARG A 79 4.292 5.193 6.834 1.00 74.11 N ATOM 1156 NH2 ARG A 79 5.783 5.038 8.571 1.00 64.14 N ATOM 0 H ARG A 79 9.004 0.932 3.373 1.00 72.42 H new ATOM 0 HA ARG A 79 6.992 2.958 2.783 1.00 20.32 H new ATOM 0 HB2 ARG A 79 8.441 1.932 5.223 1.00 41.14 H new ATOM 0 HB3 ARG A 79 7.673 3.506 5.282 1.00 41.14 H new ATOM 0 HG2 ARG A 79 5.905 1.449 4.154 1.00 53.42 H new ATOM 0 HG3 ARG A 79 6.453 1.044 5.768 1.00 53.42 H new ATOM 0 HD2 ARG A 79 5.114 3.649 4.935 1.00 50.12 H new ATOM 0 HD3 ARG A 79 4.364 2.353 5.844 1.00 50.12 H new ATOM 0 HE ARG A 79 6.561 2.991 7.392 1.00 24.51 H new ATOM 0 HH11 ARG A 79 3.909 4.829 5.962 1.00 74.11 H new ATOM 0 HH12 ARG A 79 3.907 6.044 7.244 1.00 74.11 H new ATOM 0 HH21 ARG A 79 6.550 4.554 9.037 1.00 64.14 H new ATOM 0 HH22 ARG A 79 5.395 5.889 8.978 1.00 64.14 H new ATOM 1170 N PRO A 80 8.354 5.123 3.171 1.00 63.53 N ATOM 1171 CA PRO A 80 9.148 6.343 3.000 1.00 10.13 C ATOM 1172 C PRO A 80 10.104 6.580 4.164 1.00 12.25 C ATOM 1173 O PRO A 80 9.768 7.274 5.125 1.00 71.55 O ATOM 1174 CB PRO A 80 8.091 7.449 2.943 1.00 73.42 C ATOM 1175 CG PRO A 80 6.924 6.896 3.686 1.00 73.45 C ATOM 1176 CD PRO A 80 6.934 5.414 3.429 1.00 22.15 C ATOM 0 HA PRO A 80 9.783 6.295 2.115 1.00 10.13 H new ATOM 0 HB2 PRO A 80 8.454 8.368 3.403 1.00 73.42 H new ATOM 0 HB3 PRO A 80 7.826 7.691 1.914 1.00 73.42 H new ATOM 0 HG2 PRO A 80 7.004 7.108 4.752 1.00 73.45 H new ATOM 0 HG3 PRO A 80 5.993 7.346 3.341 1.00 73.45 H new ATOM 0 HD2 PRO A 80 6.558 4.855 4.286 1.00 22.15 H new ATOM 0 HD3 PRO A 80 6.308 5.150 2.577 1.00 22.15 H new ATOM 1184 N SER A 81 11.296 6.001 4.073 1.00 64.45 N ATOM 1185 CA SER A 81 12.300 6.146 5.120 1.00 1.43 C ATOM 1186 C SER A 81 11.819 5.517 6.424 1.00 4.24 C ATOM 1187 O SER A 81 11.612 6.209 7.421 1.00 52.24 O ATOM 1188 CB SER A 81 12.624 7.625 5.343 1.00 21.12 C ATOM 1189 OG SER A 81 13.854 7.780 6.029 1.00 24.52 O ATOM 0 H SER A 81 11.591 5.426 3.284 1.00 64.45 H new ATOM 0 HA SER A 81 13.203 5.628 4.798 1.00 1.43 H new ATOM 0 HB2 SER A 81 12.672 8.139 4.383 1.00 21.12 H new ATOM 0 HB3 SER A 81 11.823 8.094 5.915 1.00 21.12 H new ATOM 0 HG SER A 81 14.039 8.734 6.158 1.00 24.52 H new ATOM 1195 N ALA A 82 11.644 4.200 6.409 1.00 24.12 N ATOM 1196 CA ALA A 82 11.190 3.476 7.590 1.00 63.11 C ATOM 1197 C ALA A 82 12.332 2.688 8.223 1.00 33.43 C ATOM 1198 O ALA A 82 13.208 2.176 7.526 1.00 53.42 O ATOM 1199 CB ALA A 82 10.041 2.547 7.229 1.00 32.55 C ATOM 0 H ALA A 82 11.810 3.612 5.592 1.00 24.12 H new ATOM 0 HA ALA A 82 10.838 4.205 8.320 1.00 63.11 H new ATOM 0 HB1 ALA A 82 9.712 2.012 8.120 1.00 32.55 H new ATOM 0 HB2 ALA A 82 9.212 3.132 6.829 1.00 32.55 H new ATOM 0 HB3 ALA A 82 10.375 1.830 6.479 1.00 32.55 H new ATOM 1205 N SER A 83 12.316 2.594 9.549 1.00 33.21 N ATOM 1206 CA SER A 83 13.352 1.871 10.277 1.00 44.31 C ATOM 1207 C SER A 83 12.815 0.550 10.819 1.00 2.44 C ATOM 1208 O SER A 83 12.098 0.524 11.820 1.00 24.23 O ATOM 1209 CB SER A 83 13.889 2.727 11.426 1.00 42.02 C ATOM 1210 OG SER A 83 13.027 3.819 11.695 1.00 72.15 O ATOM 0 H SER A 83 11.597 3.010 10.141 1.00 33.21 H new ATOM 0 HA SER A 83 14.165 1.655 9.584 1.00 44.31 H new ATOM 0 HB2 SER A 83 13.995 2.114 12.321 1.00 42.02 H new ATOM 0 HB3 SER A 83 14.883 3.098 11.174 1.00 42.02 H new ATOM 0 HG SER A 83 13.392 4.349 12.434 1.00 72.15 H new ATOM 1216 N ILE A 84 13.167 -0.543 10.151 1.00 31.04 N ATOM 1217 CA ILE A 84 12.722 -1.867 10.566 1.00 35.44 C ATOM 1218 C ILE A 84 13.836 -2.623 11.281 1.00 24.33 C ATOM 1219 O ILE A 84 14.972 -2.696 10.811 1.00 73.44 O ATOM 1220 CB ILE A 84 12.240 -2.702 9.365 1.00 52.54 C ATOM 1221 CG1 ILE A 84 11.621 -4.016 9.844 1.00 73.12 C ATOM 1222 CG2 ILE A 84 13.393 -2.970 8.410 1.00 64.02 C ATOM 1223 CD1 ILE A 84 10.144 -3.911 10.154 1.00 52.04 C ATOM 0 H ILE A 84 13.759 -0.538 9.320 1.00 31.04 H new ATOM 0 HA ILE A 84 11.889 -1.718 11.252 1.00 35.44 H new ATOM 0 HB ILE A 84 11.476 -2.136 8.832 1.00 52.54 H new ATOM 0 HG12 ILE A 84 11.770 -4.778 9.079 1.00 73.12 H new ATOM 0 HG13 ILE A 84 12.148 -4.352 10.737 1.00 73.12 H new ATOM 0 HG21 ILE A 84 13.037 -3.561 7.566 1.00 64.02 H new ATOM 0 HG22 ILE A 84 13.792 -2.023 8.047 1.00 64.02 H new ATOM 0 HG23 ILE A 84 14.178 -3.518 8.932 1.00 64.02 H new ATOM 0 HD11 ILE A 84 9.773 -4.880 10.488 1.00 52.04 H new ATOM 0 HD12 ILE A 84 9.989 -3.172 10.940 1.00 52.04 H new ATOM 0 HD13 ILE A 84 9.605 -3.605 9.257 1.00 52.04 H new ATOM 1235 N PRO A 85 13.507 -3.202 12.446 1.00 52.42 N ATOM 1236 CA PRO A 85 14.466 -3.965 13.250 1.00 52.11 C ATOM 1237 C PRO A 85 14.853 -5.285 12.592 1.00 42.32 C ATOM 1238 O PRO A 85 14.030 -6.191 12.462 1.00 12.33 O ATOM 1239 CB PRO A 85 13.709 -4.220 14.556 1.00 64.40 C ATOM 1240 CG PRO A 85 12.270 -4.165 14.177 1.00 13.31 C ATOM 1241 CD PRO A 85 12.172 -3.155 13.067 1.00 64.21 C ATOM 0 HA PRO A 85 15.405 -3.428 13.383 1.00 52.11 H new ATOM 0 HB2 PRO A 85 13.969 -5.189 14.982 1.00 64.40 H new ATOM 0 HB3 PRO A 85 13.950 -3.467 15.307 1.00 64.40 H new ATOM 0 HG2 PRO A 85 11.916 -5.142 13.848 1.00 13.31 H new ATOM 0 HG3 PRO A 85 11.654 -3.872 15.027 1.00 13.31 H new ATOM 0 HD2 PRO A 85 11.388 -3.414 12.355 1.00 64.21 H new ATOM 0 HD3 PRO A 85 11.940 -2.160 13.448 1.00 64.21 H new ATOM 1249 N VAL A 86 16.112 -5.387 12.178 1.00 62.14 N ATOM 1250 CA VAL A 86 16.609 -6.597 11.534 1.00 22.30 C ATOM 1251 C VAL A 86 17.871 -7.107 12.222 1.00 73.02 C ATOM 1252 O VAL A 86 18.841 -6.369 12.389 1.00 45.52 O ATOM 1253 CB VAL A 86 16.912 -6.356 10.043 1.00 22.32 C ATOM 1254 CG1 VAL A 86 17.469 -7.618 9.401 1.00 40.53 C ATOM 1255 CG2 VAL A 86 15.662 -5.884 9.316 1.00 65.45 C ATOM 0 H VAL A 86 16.806 -4.646 12.277 1.00 62.14 H new ATOM 0 HA VAL A 86 15.823 -7.347 11.620 1.00 22.30 H new ATOM 0 HB VAL A 86 17.667 -5.574 9.964 1.00 22.32 H new ATOM 0 HG11 VAL A 86 17.677 -7.429 8.348 1.00 40.53 H new ATOM 0 HG12 VAL A 86 18.390 -7.907 9.907 1.00 40.53 H new ATOM 0 HG13 VAL A 86 16.739 -8.423 9.488 1.00 40.53 H new ATOM 0 HG21 VAL A 86 15.894 -5.718 8.264 1.00 65.45 H new ATOM 0 HG22 VAL A 86 14.883 -6.642 9.401 1.00 65.45 H new ATOM 0 HG23 VAL A 86 15.312 -4.953 9.761 1.00 65.45 H new ATOM 1265 N VAL A 87 17.850 -8.375 12.619 1.00 22.42 N ATOM 1266 CA VAL A 87 18.993 -8.986 13.288 1.00 42.41 C ATOM 1267 C VAL A 87 19.955 -9.603 12.279 1.00 40.21 C ATOM 1268 O VAL A 87 19.538 -10.298 11.353 1.00 60.44 O ATOM 1269 CB VAL A 87 18.546 -10.071 14.285 1.00 62.10 C ATOM 1270 CG1 VAL A 87 19.627 -10.318 15.326 1.00 2.43 C ATOM 1271 CG2 VAL A 87 17.235 -9.677 14.948 1.00 22.25 C ATOM 0 H VAL A 87 17.054 -9.000 12.489 1.00 22.42 H new ATOM 0 HA VAL A 87 19.503 -8.191 13.833 1.00 42.41 H new ATOM 0 HB VAL A 87 18.385 -10.999 13.737 1.00 62.10 H new ATOM 0 HG11 VAL A 87 19.293 -11.088 16.022 1.00 2.43 H new ATOM 0 HG12 VAL A 87 20.540 -10.648 14.831 1.00 2.43 H new ATOM 0 HG13 VAL A 87 19.823 -9.396 15.872 1.00 2.43 H new ATOM 0 HG21 VAL A 87 16.934 -10.455 15.649 1.00 22.25 H new ATOM 0 HG22 VAL A 87 17.366 -8.737 15.483 1.00 22.25 H new ATOM 0 HG23 VAL A 87 16.464 -9.557 14.187 1.00 22.25 H new ATOM 1281 N PHE A 88 21.245 -9.344 12.465 1.00 62.02 N ATOM 1282 CA PHE A 88 22.268 -9.874 11.570 1.00 12.14 C ATOM 1283 C PHE A 88 23.203 -10.822 12.315 1.00 44.11 C ATOM 1284 O PHE A 88 23.359 -10.728 13.532 1.00 25.23 O ATOM 1285 CB PHE A 88 23.072 -8.731 10.947 1.00 71.11 C ATOM 1286 CG PHE A 88 24.533 -8.768 11.292 1.00 62.52 C ATOM 1287 CD1 PHE A 88 25.002 -8.162 12.446 1.00 52.30 C ATOM 1288 CD2 PHE A 88 25.438 -9.411 10.462 1.00 2.23 C ATOM 1289 CE1 PHE A 88 26.346 -8.194 12.765 1.00 1.02 C ATOM 1290 CE2 PHE A 88 26.784 -9.447 10.777 1.00 52.24 C ATOM 1291 CZ PHE A 88 27.238 -8.838 11.930 1.00 20.32 C ATOM 0 H PHE A 88 21.607 -8.771 13.227 1.00 62.02 H new ATOM 0 HA PHE A 88 21.769 -10.432 10.777 1.00 12.14 H new ATOM 0 HB2 PHE A 88 22.962 -8.769 9.863 1.00 71.11 H new ATOM 0 HB3 PHE A 88 22.653 -7.781 11.277 1.00 71.11 H new ATOM 0 HD1 PHE A 88 24.309 -7.659 13.104 1.00 52.30 H new ATOM 0 HD2 PHE A 88 25.088 -9.889 9.559 1.00 2.23 H new ATOM 0 HE1 PHE A 88 26.699 -7.716 13.667 1.00 1.02 H new ATOM 0 HE2 PHE A 88 27.479 -9.951 10.122 1.00 52.24 H new ATOM 0 HZ PHE A 88 28.289 -8.865 12.178 1.00 20.32 H new ATOM 1301 N SER A 89 23.823 -11.735 11.574 1.00 30.10 N ATOM 1302 CA SER A 89 24.740 -12.704 12.163 1.00 11.24 C ATOM 1303 C SER A 89 26.056 -12.744 11.393 1.00 22.31 C ATOM 1304 O SER A 89 26.084 -12.539 10.179 1.00 24.35 O ATOM 1305 CB SER A 89 24.103 -14.095 12.181 1.00 4.24 C ATOM 1306 OG SER A 89 23.445 -14.339 13.412 1.00 1.44 O ATOM 0 H SER A 89 23.707 -11.824 10.565 1.00 30.10 H new ATOM 0 HA SER A 89 24.948 -12.395 13.187 1.00 11.24 H new ATOM 0 HB2 SER A 89 23.391 -14.183 11.361 1.00 4.24 H new ATOM 0 HB3 SER A 89 24.870 -14.852 12.019 1.00 4.24 H new ATOM 0 HG SER A 89 24.030 -14.077 14.153 1.00 1.44 H new ATOM 1312 N ARG A 90 27.145 -13.010 12.108 1.00 73.13 N ATOM 1313 CA ARG A 90 28.465 -13.077 11.493 1.00 51.42 C ATOM 1314 C ARG A 90 29.183 -14.365 11.885 1.00 51.25 C ATOM 1315 O ARG A 90 30.108 -14.349 12.697 1.00 71.31 O ATOM 1316 CB ARG A 90 29.305 -11.866 11.906 1.00 73.35 C ATOM 1317 CG ARG A 90 30.385 -11.503 10.900 1.00 53.23 C ATOM 1318 CD ARG A 90 31.775 -11.765 11.456 1.00 3.45 C ATOM 1319 NE ARG A 90 32.214 -10.701 12.356 1.00 51.10 N ATOM 1320 CZ ARG A 90 33.448 -10.610 12.840 1.00 34.02 C ATOM 1321 NH1 ARG A 90 34.360 -11.514 12.513 1.00 62.34 N ATOM 1322 NH2 ARG A 90 33.771 -9.613 13.654 1.00 55.45 N ATOM 0 H ARG A 90 27.139 -13.182 13.113 1.00 73.13 H new ATOM 0 HA ARG A 90 28.335 -13.069 10.411 1.00 51.42 H new ATOM 0 HB2 ARG A 90 28.647 -11.008 12.045 1.00 73.35 H new ATOM 0 HB3 ARG A 90 29.772 -12.070 12.870 1.00 73.35 H new ATOM 0 HG2 ARG A 90 30.242 -12.081 9.987 1.00 53.23 H new ATOM 0 HG3 ARG A 90 30.293 -10.451 10.629 1.00 53.23 H new ATOM 0 HD2 ARG A 90 31.779 -12.716 11.989 1.00 3.45 H new ATOM 0 HD3 ARG A 90 32.483 -11.859 10.633 1.00 3.45 H new ATOM 0 HE ARG A 90 31.536 -9.989 12.628 1.00 51.10 H new ATOM 0 HH11 ARG A 90 34.115 -12.282 11.888 1.00 62.34 H new ATOM 0 HH12 ARG A 90 35.307 -11.442 12.886 1.00 62.34 H new ATOM 0 HH21 ARG A 90 33.072 -8.916 13.909 1.00 55.45 H new ATOM 0 HH22 ARG A 90 34.719 -9.544 14.025 1.00 55.45 H new ATOM 1336 N ASP A 91 28.750 -15.478 11.302 1.00 2.51 N ATOM 1337 CA ASP A 91 29.352 -16.775 11.590 1.00 53.45 C ATOM 1338 C ASP A 91 29.111 -17.175 13.042 1.00 62.23 C ATOM 1339 O ASP A 91 30.037 -17.574 13.748 1.00 55.23 O ATOM 1340 CB ASP A 91 30.853 -16.740 11.299 1.00 71.22 C ATOM 1341 CG ASP A 91 31.192 -15.870 10.105 1.00 54.33 C ATOM 1342 OD1 ASP A 91 30.947 -16.309 8.961 1.00 22.13 O ATOM 1343 OD2 ASP A 91 31.700 -14.749 10.314 1.00 41.34 O ATOM 0 H ASP A 91 27.985 -15.508 10.628 1.00 2.51 H new ATOM 0 HA ASP A 91 28.883 -17.518 10.945 1.00 53.45 H new ATOM 0 HB2 ASP A 91 31.382 -16.369 12.177 1.00 71.22 H new ATOM 0 HB3 ASP A 91 31.209 -17.754 11.118 1.00 71.22 H new ATOM 1348 N GLY A 92 27.861 -17.065 13.482 1.00 62.33 N ATOM 1349 CA GLY A 92 27.522 -17.419 14.848 1.00 51.43 C ATOM 1350 C GLY A 92 27.381 -16.203 15.743 1.00 62.51 C ATOM 1351 O GLY A 92 26.810 -16.287 16.830 1.00 34.01 O ATOM 0 H GLY A 92 27.078 -16.737 12.917 1.00 62.33 H new ATOM 0 HA2 GLY A 92 26.588 -17.981 14.854 1.00 51.43 H new ATOM 0 HA3 GLY A 92 28.292 -18.076 15.252 1.00 51.43 H new ATOM 1355 N VAL A 93 27.905 -15.070 15.287 1.00 62.24 N ATOM 1356 CA VAL A 93 27.836 -13.832 16.054 1.00 71.50 C ATOM 1357 C VAL A 93 26.405 -13.312 16.130 1.00 71.15 C ATOM 1358 O VAL A 93 25.660 -13.368 15.151 1.00 40.20 O ATOM 1359 CB VAL A 93 28.735 -12.742 15.443 1.00 44.15 C ATOM 1360 CG1 VAL A 93 28.630 -11.452 16.242 1.00 22.32 C ATOM 1361 CG2 VAL A 93 30.178 -13.219 15.373 1.00 61.35 C ATOM 0 H VAL A 93 28.382 -14.984 14.390 1.00 62.24 H new ATOM 0 HA VAL A 93 28.190 -14.062 17.059 1.00 71.50 H new ATOM 0 HB VAL A 93 28.393 -12.541 14.428 1.00 44.15 H new ATOM 0 HG11 VAL A 93 29.273 -10.694 15.795 1.00 22.32 H new ATOM 0 HG12 VAL A 93 27.597 -11.103 16.235 1.00 22.32 H new ATOM 0 HG13 VAL A 93 28.945 -11.634 17.270 1.00 22.32 H new ATOM 0 HG21 VAL A 93 30.799 -12.436 14.939 1.00 61.35 H new ATOM 0 HG22 VAL A 93 30.534 -13.450 16.377 1.00 61.35 H new ATOM 0 HG23 VAL A 93 30.236 -14.114 14.753 1.00 61.35 H new ATOM 1371 N VAL A 94 26.026 -12.805 17.299 1.00 63.24 N ATOM 1372 CA VAL A 94 24.684 -12.273 17.502 1.00 4.34 C ATOM 1373 C VAL A 94 24.719 -10.764 17.722 1.00 22.40 C ATOM 1374 O VAL A 94 25.260 -10.284 18.718 1.00 74.50 O ATOM 1375 CB VAL A 94 23.993 -12.940 18.706 1.00 14.20 C ATOM 1376 CG1 VAL A 94 24.858 -12.823 19.952 1.00 53.14 C ATOM 1377 CG2 VAL A 94 22.621 -12.325 18.940 1.00 40.21 C ATOM 0 H VAL A 94 26.629 -12.752 18.120 1.00 63.24 H new ATOM 0 HA VAL A 94 24.116 -12.493 16.598 1.00 4.34 H new ATOM 0 HB VAL A 94 23.859 -13.999 18.485 1.00 14.20 H new ATOM 0 HG11 VAL A 94 24.353 -13.300 20.792 1.00 53.14 H new ATOM 0 HG12 VAL A 94 25.815 -13.314 19.778 1.00 53.14 H new ATOM 0 HG13 VAL A 94 25.027 -11.771 20.180 1.00 53.14 H new ATOM 0 HG21 VAL A 94 22.147 -12.808 19.794 1.00 40.21 H new ATOM 0 HG22 VAL A 94 22.729 -11.259 19.140 1.00 40.21 H new ATOM 0 HG23 VAL A 94 22.003 -12.467 18.054 1.00 40.21 H new ATOM 1387 N MET A 95 24.138 -10.022 16.785 1.00 24.11 N ATOM 1388 CA MET A 95 24.102 -8.567 16.877 1.00 35.14 C ATOM 1389 C MET A 95 22.768 -8.024 16.373 1.00 23.10 C ATOM 1390 O MET A 95 21.996 -8.741 15.737 1.00 61.03 O ATOM 1391 CB MET A 95 25.251 -7.955 16.075 1.00 3.43 C ATOM 1392 CG MET A 95 26.576 -8.674 16.266 1.00 65.41 C ATOM 1393 SD MET A 95 27.993 -7.566 16.141 1.00 63.25 S ATOM 1394 CE MET A 95 28.260 -7.162 17.865 1.00 43.32 C ATOM 0 H MET A 95 23.686 -10.404 15.954 1.00 24.11 H new ATOM 0 HA MET A 95 24.214 -8.291 17.926 1.00 35.14 H new ATOM 0 HB2 MET A 95 24.991 -7.966 15.017 1.00 3.43 H new ATOM 0 HB3 MET A 95 25.369 -6.911 16.364 1.00 3.43 H new ATOM 0 HG2 MET A 95 26.584 -9.159 17.242 1.00 65.41 H new ATOM 0 HG3 MET A 95 26.669 -9.461 15.518 1.00 65.41 H new ATOM 0 HE1 MET A 95 29.107 -6.482 17.952 1.00 43.32 H new ATOM 0 HE2 MET A 95 27.368 -6.684 18.269 1.00 43.32 H new ATOM 0 HE3 MET A 95 28.468 -8.074 18.424 1.00 43.32 H new ATOM 1404 N SER A 96 22.505 -6.754 16.662 1.00 55.34 N ATOM 1405 CA SER A 96 21.262 -6.116 16.241 1.00 65.13 C ATOM 1406 C SER A 96 21.540 -4.770 15.578 1.00 21.21 C ATOM 1407 O SER A 96 22.257 -3.933 16.125 1.00 11.22 O ATOM 1408 CB SER A 96 20.331 -5.925 17.439 1.00 10.11 C ATOM 1409 OG SER A 96 20.916 -5.074 18.409 1.00 3.23 O ATOM 0 H SER A 96 23.135 -6.146 17.186 1.00 55.34 H new ATOM 0 HA SER A 96 20.777 -6.766 15.513 1.00 65.13 H new ATOM 0 HB2 SER A 96 19.384 -5.502 17.104 1.00 10.11 H new ATOM 0 HB3 SER A 96 20.107 -6.893 17.887 1.00 10.11 H new ATOM 0 HG SER A 96 21.564 -4.480 17.975 1.00 3.23 H new ATOM 1415 N ALA A 97 20.967 -4.570 14.396 1.00 72.41 N ATOM 1416 CA ALA A 97 21.150 -3.326 13.659 1.00 61.45 C ATOM 1417 C ALA A 97 19.865 -2.914 12.949 1.00 33.22 C ATOM 1418 O ALA A 97 19.149 -3.753 12.400 1.00 0.05 O ATOM 1419 CB ALA A 97 22.286 -3.469 12.656 1.00 32.51 C ATOM 0 H ALA A 97 20.372 -5.254 13.928 1.00 72.41 H new ATOM 0 HA ALA A 97 21.406 -2.544 14.374 1.00 61.45 H new ATOM 0 HB1 ALA A 97 22.412 -2.533 12.113 1.00 32.51 H new ATOM 0 HB2 ALA A 97 23.209 -3.709 13.184 1.00 32.51 H new ATOM 0 HB3 ALA A 97 22.052 -4.268 11.953 1.00 32.51 H new ATOM 1425 N THR A 98 19.576 -1.617 12.964 1.00 12.41 N ATOM 1426 CA THR A 98 18.376 -1.093 12.324 1.00 35.31 C ATOM 1427 C THR A 98 18.673 -0.611 10.909 1.00 11.41 C ATOM 1428 O THR A 98 19.537 0.242 10.703 1.00 10.21 O ATOM 1429 CB THR A 98 17.768 0.068 13.133 1.00 21.05 C ATOM 1430 OG1 THR A 98 17.554 -0.339 14.489 1.00 31.35 O ATOM 1431 CG2 THR A 98 16.452 0.524 12.522 1.00 70.33 C ATOM 0 H THR A 98 20.157 -0.909 13.413 1.00 12.41 H new ATOM 0 HA THR A 98 17.658 -1.912 12.283 1.00 35.31 H new ATOM 0 HB THR A 98 18.469 0.903 13.110 1.00 21.05 H new ATOM 0 HG1 THR A 98 17.169 0.405 14.997 1.00 31.35 H new ATOM 0 HG21 THR A 98 16.042 1.345 13.111 1.00 70.33 H new ATOM 0 HG22 THR A 98 16.623 0.861 11.500 1.00 70.33 H new ATOM 0 HG23 THR A 98 15.746 -0.307 12.517 1.00 70.33 H new ATOM 1439 N ILE A 99 17.952 -1.160 9.938 1.00 71.32 N ATOM 1440 CA ILE A 99 18.138 -0.783 8.542 1.00 22.51 C ATOM 1441 C ILE A 99 17.169 0.322 8.137 1.00 73.30 C ATOM 1442 O ILE A 99 15.959 0.202 8.329 1.00 75.14 O ATOM 1443 CB ILE A 99 17.946 -1.989 7.603 1.00 21.01 C ATOM 1444 CG1 ILE A 99 16.525 -2.541 7.730 1.00 32.04 C ATOM 1445 CG2 ILE A 99 18.970 -3.071 7.913 1.00 0.45 C ATOM 1446 CD1 ILE A 99 16.303 -3.823 6.959 1.00 40.04 C ATOM 0 H ILE A 99 17.233 -1.867 10.092 1.00 71.32 H new ATOM 0 HA ILE A 99 19.161 -0.418 8.447 1.00 22.51 H new ATOM 0 HB ILE A 99 18.097 -1.658 6.576 1.00 21.01 H new ATOM 0 HG12 ILE A 99 16.305 -2.717 8.783 1.00 32.04 H new ATOM 0 HG13 ILE A 99 15.819 -1.789 7.379 1.00 32.04 H new ATOM 0 HG21 ILE A 99 18.821 -3.916 7.241 1.00 0.45 H new ATOM 0 HG22 ILE A 99 19.975 -2.671 7.776 1.00 0.45 H new ATOM 0 HG23 ILE A 99 18.849 -3.402 8.944 1.00 0.45 H new ATOM 0 HD11 ILE A 99 15.274 -4.156 7.095 1.00 40.04 H new ATOM 0 HD12 ILE A 99 16.490 -3.648 5.900 1.00 40.04 H new ATOM 0 HD13 ILE A 99 16.984 -4.591 7.326 1.00 40.04 H new ATOM 1458 N VAL A 100 17.709 1.398 7.574 1.00 73.02 N ATOM 1459 CA VAL A 100 16.892 2.524 7.138 1.00 14.22 C ATOM 1460 C VAL A 100 16.721 2.526 5.623 1.00 3.12 C ATOM 1461 O VAL A 100 17.536 3.096 4.897 1.00 74.02 O ATOM 1462 CB VAL A 100 17.507 3.867 7.576 1.00 32.44 C ATOM 1463 CG1 VAL A 100 17.290 4.093 9.065 1.00 55.23 C ATOM 1464 CG2 VAL A 100 18.988 3.911 7.233 1.00 70.25 C ATOM 0 H VAL A 100 18.709 1.514 7.409 1.00 73.02 H new ATOM 0 HA VAL A 100 15.917 2.408 7.610 1.00 14.22 H new ATOM 0 HB VAL A 100 17.007 4.670 7.034 1.00 32.44 H new ATOM 0 HG11 VAL A 100 17.731 5.046 9.356 1.00 55.23 H new ATOM 0 HG12 VAL A 100 16.221 4.107 9.279 1.00 55.23 H new ATOM 0 HG13 VAL A 100 17.762 3.288 9.628 1.00 55.23 H new ATOM 0 HG21 VAL A 100 19.406 4.866 7.549 1.00 70.25 H new ATOM 0 HG22 VAL A 100 19.505 3.101 7.747 1.00 70.25 H new ATOM 0 HG23 VAL A 100 19.116 3.798 6.156 1.00 70.25 H new ATOM 1474 N VAL A 101 15.657 1.885 5.152 1.00 35.21 N ATOM 1475 CA VAL A 101 15.378 1.813 3.723 1.00 55.52 C ATOM 1476 C VAL A 101 14.451 2.943 3.287 1.00 71.23 C ATOM 1477 O VAL A 101 13.277 2.974 3.654 1.00 23.03 O ATOM 1478 CB VAL A 101 14.739 0.464 3.342 1.00 1.42 C ATOM 1479 CG1 VAL A 101 14.418 0.426 1.856 1.00 72.01 C ATOM 1480 CG2 VAL A 101 15.656 -0.686 3.728 1.00 63.32 C ATOM 0 H VAL A 101 14.973 1.408 5.740 1.00 35.21 H new ATOM 0 HA VAL A 101 16.334 1.911 3.209 1.00 55.52 H new ATOM 0 HB VAL A 101 13.805 0.355 3.893 1.00 1.42 H new ATOM 0 HG11 VAL A 101 13.967 -0.534 1.606 1.00 72.01 H new ATOM 0 HG12 VAL A 101 13.721 1.228 1.614 1.00 72.01 H new ATOM 0 HG13 VAL A 101 15.335 0.557 1.282 1.00 72.01 H new ATOM 0 HG21 VAL A 101 15.190 -1.632 3.452 1.00 63.32 H new ATOM 0 HG22 VAL A 101 16.607 -0.584 3.205 1.00 63.32 H new ATOM 0 HG23 VAL A 101 15.830 -0.668 4.804 1.00 63.32 H new ATOM 1490 N GLY A 102 14.987 3.870 2.499 1.00 1.42 N ATOM 1491 CA GLY A 102 14.194 4.990 2.025 1.00 21.41 C ATOM 1492 C GLY A 102 13.907 4.909 0.539 1.00 62.41 C ATOM 1493 O GLY A 102 14.815 4.697 -0.264 1.00 24.12 O ATOM 0 H GLY A 102 15.956 3.866 2.180 1.00 1.42 H new ATOM 0 HA2 GLY A 102 13.252 5.022 2.573 1.00 21.41 H new ATOM 0 HA3 GLY A 102 14.720 5.920 2.240 1.00 21.41 H new