USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 680 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 92 ASN : amide:sc= -3.08! C(o=-2.1!,f=-12!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -165:sc= 0.946! (180deg=-0.691) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.38! C(o=-3.4!,f=-6.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 159:sc= -0.156 (180deg=-0.708) USER MOD Single : A 60 THR OG1 : rot 91:sc= 0.822 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -32:sc= 0.0942 USER MOD Single : A 66 CYS SG : rot 180:sc= -1.62! USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.43 USER MOD Single : A 75 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.33) USER MOD Single : A 76 SER OG : rot -83:sc= 0.977 USER MOD Single : A 78 SER OG : rot 93:sc= 0.362 USER MOD Single : A 83 SER OG : rot 132:sc= 0.885 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 3.301 -5.603 -13.408 1.00 74.12 N ATOM 111 CA ALA A 10 3.883 -4.931 -14.575 1.00 30.43 C ATOM 112 C ALA A 10 5.146 -5.651 -15.084 1.00 30.00 C ATOM 113 O ALA A 10 5.742 -6.462 -14.371 1.00 23.31 O ATOM 114 CB ALA A 10 4.184 -3.467 -14.246 1.00 74.51 C ATOM 0 HA ALA A 10 3.149 -4.968 -15.380 1.00 30.43 H new ATOM 0 HB1 ALA A 10 4.616 -2.979 -15.120 1.00 74.51 H new ATOM 0 HB2 ALA A 10 3.261 -2.960 -13.966 1.00 74.51 H new ATOM 0 HB3 ALA A 10 4.890 -3.418 -13.417 1.00 74.51 H new ATOM 120 N PRO A 11 5.551 -5.394 -16.345 1.00 52.13 N ATOM 121 CA PRO A 11 6.801 -5.937 -16.893 1.00 44.21 C ATOM 122 C PRO A 11 8.037 -5.313 -16.232 1.00 22.33 C ATOM 123 O PRO A 11 7.931 -4.316 -15.520 1.00 50.31 O ATOM 124 CB PRO A 11 6.728 -5.586 -18.384 1.00 51.43 C ATOM 125 CG PRO A 11 5.818 -4.408 -18.450 1.00 44.31 C ATOM 126 CD PRO A 11 4.815 -4.588 -17.343 1.00 43.50 C ATOM 0 HA PRO A 11 6.900 -7.008 -16.714 1.00 44.21 H new ATOM 0 HB2 PRO A 11 7.714 -5.348 -18.784 1.00 51.43 H new ATOM 0 HB3 PRO A 11 6.340 -6.420 -18.969 1.00 51.43 H new ATOM 0 HG2 PRO A 11 6.374 -3.479 -18.324 1.00 44.31 H new ATOM 0 HG3 PRO A 11 5.322 -4.353 -19.419 1.00 44.31 H new ATOM 0 HD2 PRO A 11 4.495 -3.631 -16.930 1.00 43.50 H new ATOM 0 HD3 PRO A 11 3.918 -5.100 -17.692 1.00 43.50 H new ATOM 134 N ALA A 12 9.203 -5.901 -16.499 1.00 13.12 N ATOM 135 CA ALA A 12 10.459 -5.544 -15.827 1.00 41.51 C ATOM 136 C ALA A 12 10.678 -4.032 -15.708 1.00 61.44 C ATOM 137 O ALA A 12 10.838 -3.507 -14.602 1.00 20.43 O ATOM 138 CB ALA A 12 11.630 -6.184 -16.561 1.00 45.35 C ATOM 0 H ALA A 12 9.307 -6.643 -17.191 1.00 13.12 H new ATOM 0 HA ALA A 12 10.392 -5.926 -14.808 1.00 41.51 H new ATOM 0 HB1 ALA A 12 12.562 -5.918 -16.061 1.00 45.35 H new ATOM 0 HB2 ALA A 12 11.513 -7.268 -16.558 1.00 45.35 H new ATOM 0 HB3 ALA A 12 11.655 -5.825 -17.590 1.00 45.35 H new ATOM 144 N GLU A 13 10.680 -3.337 -16.841 1.00 34.43 N ATOM 145 CA GLU A 13 11.026 -1.917 -16.867 1.00 52.23 C ATOM 146 C GLU A 13 10.013 -1.091 -16.071 1.00 63.02 C ATOM 147 O GLU A 13 10.387 -0.266 -15.230 1.00 24.54 O ATOM 148 CB GLU A 13 11.103 -1.409 -18.313 1.00 54.21 C ATOM 149 CG GLU A 13 12.007 -2.248 -19.214 1.00 30.22 C ATOM 150 CD GLU A 13 12.153 -1.661 -20.609 1.00 42.41 C ATOM 151 OE1 GLU A 13 13.222 -1.088 -20.908 1.00 22.14 O ATOM 152 OE2 GLU A 13 11.200 -1.764 -21.413 1.00 1.01 O ATOM 0 H GLU A 13 10.447 -3.731 -17.752 1.00 34.43 H new ATOM 0 HA GLU A 13 12.004 -1.801 -16.401 1.00 52.23 H new ATOM 0 HB2 GLU A 13 10.099 -1.392 -18.736 1.00 54.21 H new ATOM 0 HB3 GLU A 13 11.464 -0.381 -18.308 1.00 54.21 H new ATOM 0 HG2 GLU A 13 12.992 -2.333 -18.755 1.00 30.22 H new ATOM 0 HG3 GLU A 13 11.602 -3.257 -19.289 1.00 30.22 H new ATOM 159 N GLU A 14 8.730 -1.326 -16.332 1.00 24.23 N ATOM 160 CA GLU A 14 7.657 -0.593 -15.659 1.00 5.03 C ATOM 161 C GLU A 14 7.670 -0.872 -14.156 1.00 54.51 C ATOM 162 O GLU A 14 7.492 0.039 -13.347 1.00 5.41 O ATOM 163 CB GLU A 14 6.297 -0.963 -16.268 1.00 33.41 C ATOM 164 CG GLU A 14 6.133 -0.513 -17.720 1.00 24.03 C ATOM 165 CD GLU A 14 4.798 -0.928 -18.329 1.00 41.52 C ATOM 166 OE1 GLU A 14 3.750 -0.690 -17.696 1.00 74.31 O ATOM 167 OE2 GLU A 14 4.796 -1.480 -19.452 1.00 54.04 O ATOM 0 H GLU A 14 8.406 -2.020 -17.006 1.00 24.23 H new ATOM 0 HA GLU A 14 7.823 0.474 -15.805 1.00 5.03 H new ATOM 0 HB2 GLU A 14 6.166 -2.044 -16.215 1.00 33.41 H new ATOM 0 HB3 GLU A 14 5.505 -0.516 -15.666 1.00 33.41 H new ATOM 0 HG2 GLU A 14 6.227 0.572 -17.770 1.00 24.03 H new ATOM 0 HG3 GLU A 14 6.943 -0.931 -18.317 1.00 24.03 H new ATOM 174 N LEU A 15 7.909 -2.129 -13.793 1.00 5.14 N ATOM 175 CA LEU A 15 7.950 -2.535 -12.391 1.00 34.15 C ATOM 176 C LEU A 15 9.087 -1.817 -11.669 1.00 72.31 C ATOM 177 O LEU A 15 8.896 -1.285 -10.581 1.00 2.21 O ATOM 178 CB LEU A 15 8.107 -4.067 -12.282 1.00 73.25 C ATOM 179 CG LEU A 15 8.090 -4.681 -10.856 1.00 72.01 C ATOM 180 CD1 LEU A 15 9.459 -4.580 -10.175 1.00 2.23 C ATOM 181 CD2 LEU A 15 7.011 -4.029 -9.985 1.00 64.20 C ATOM 0 H LEU A 15 8.078 -2.887 -14.454 1.00 5.14 H new ATOM 0 HA LEU A 15 7.011 -2.255 -11.913 1.00 34.15 H new ATOM 0 HB2 LEU A 15 7.307 -4.531 -12.859 1.00 73.25 H new ATOM 0 HB3 LEU A 15 9.047 -4.345 -12.759 1.00 73.25 H new ATOM 0 HG LEU A 15 7.851 -5.739 -10.969 1.00 72.01 H new ATOM 0 HD11 LEU A 15 9.404 -5.021 -9.180 1.00 2.23 H new ATOM 0 HD12 LEU A 15 10.201 -5.115 -10.768 1.00 2.23 H new ATOM 0 HD13 LEU A 15 9.748 -3.532 -10.092 1.00 2.23 H new ATOM 0 HD21 LEU A 15 7.023 -4.479 -8.993 1.00 64.20 H new ATOM 0 HD22 LEU A 15 7.208 -2.960 -9.901 1.00 64.20 H new ATOM 0 HD23 LEU A 15 6.033 -4.183 -10.441 1.00 64.20 H new ATOM 193 N LEU A 16 10.264 -1.798 -12.290 1.00 21.14 N ATOM 194 CA LEU A 16 11.446 -1.182 -11.691 1.00 30.24 C ATOM 195 C LEU A 16 11.169 0.273 -11.302 1.00 3.45 C ATOM 196 O LEU A 16 11.335 0.661 -10.138 1.00 34.53 O ATOM 197 CB LEU A 16 12.634 -1.255 -12.663 1.00 2.44 C ATOM 198 CG LEU A 16 13.969 -0.705 -12.127 1.00 21.34 C ATOM 199 CD1 LEU A 16 14.431 -1.492 -10.902 1.00 0.21 C ATOM 200 CD2 LEU A 16 15.037 -0.729 -13.221 1.00 35.21 C ATOM 0 H LEU A 16 10.425 -2.204 -13.212 1.00 21.14 H new ATOM 0 HA LEU A 16 11.695 -1.735 -10.785 1.00 30.24 H new ATOM 0 HB2 LEU A 16 12.780 -2.296 -12.952 1.00 2.44 H new ATOM 0 HB3 LEU A 16 12.373 -0.707 -13.568 1.00 2.44 H new ATOM 0 HG LEU A 16 13.813 0.330 -11.822 1.00 21.34 H new ATOM 0 HD11 LEU A 16 15.376 -1.084 -10.543 1.00 0.21 H new ATOM 0 HD12 LEU A 16 13.680 -1.415 -10.116 1.00 0.21 H new ATOM 0 HD13 LEU A 16 14.567 -2.539 -11.172 1.00 0.21 H new ATOM 0 HD21 LEU A 16 15.973 -0.337 -12.824 1.00 35.21 H new ATOM 0 HD22 LEU A 16 15.188 -1.754 -13.560 1.00 35.21 H new ATOM 0 HD23 LEU A 16 14.712 -0.113 -14.060 1.00 35.21 H new ATOM 212 N ALA A 17 10.725 1.063 -12.277 1.00 22.03 N ATOM 213 CA ALA A 17 10.450 2.482 -12.062 1.00 54.44 C ATOM 214 C ALA A 17 9.325 2.682 -11.044 1.00 54.22 C ATOM 215 O ALA A 17 9.475 3.434 -10.073 1.00 41.52 O ATOM 216 CB ALA A 17 10.099 3.157 -13.385 1.00 11.21 C ATOM 0 H ALA A 17 10.547 0.742 -13.229 1.00 22.03 H new ATOM 0 HA ALA A 17 11.351 2.944 -11.658 1.00 54.44 H new ATOM 0 HB1 ALA A 17 9.896 4.214 -13.212 1.00 11.21 H new ATOM 0 HB2 ALA A 17 10.935 3.057 -14.078 1.00 11.21 H new ATOM 0 HB3 ALA A 17 9.215 2.683 -13.812 1.00 11.21 H new ATOM 222 N ASP A 18 8.209 1.986 -11.265 1.00 2.03 N ATOM 223 CA ASP A 18 7.031 2.123 -10.407 1.00 72.31 C ATOM 224 C ASP A 18 7.359 1.765 -8.963 1.00 3.31 C ATOM 225 O ASP A 18 7.054 2.527 -8.044 1.00 74.13 O ATOM 226 CB ASP A 18 5.885 1.234 -10.913 1.00 0.21 C ATOM 227 CG ASP A 18 4.663 1.279 -10.004 1.00 71.32 C ATOM 228 OD1 ASP A 18 3.865 2.237 -10.120 1.00 21.35 O ATOM 229 OD2 ASP A 18 4.491 0.355 -9.181 1.00 23.12 O ATOM 0 H ASP A 18 8.096 1.322 -12.031 1.00 2.03 H new ATOM 0 HA ASP A 18 6.716 3.166 -10.444 1.00 72.31 H new ATOM 0 HB2 ASP A 18 5.599 1.552 -11.916 1.00 0.21 H new ATOM 0 HB3 ASP A 18 6.236 0.205 -10.993 1.00 0.21 H new ATOM 234 N VAL A 19 8.019 0.626 -8.765 1.00 74.12 N ATOM 235 CA VAL A 19 8.368 0.179 -7.422 1.00 51.41 C ATOM 236 C VAL A 19 9.402 1.119 -6.814 1.00 45.01 C ATOM 237 O VAL A 19 9.386 1.362 -5.612 1.00 73.24 O ATOM 238 CB VAL A 19 8.892 -1.287 -7.382 1.00 41.54 C ATOM 239 CG1 VAL A 19 10.320 -1.391 -7.918 1.00 64.43 C ATOM 240 CG2 VAL A 19 8.795 -1.857 -5.966 1.00 4.11 C ATOM 0 H VAL A 19 8.320 0.001 -9.513 1.00 74.12 H new ATOM 0 HA VAL A 19 7.450 0.200 -6.834 1.00 51.41 H new ATOM 0 HB VAL A 19 8.256 -1.883 -8.036 1.00 41.54 H new ATOM 0 HG11 VAL A 19 10.650 -2.429 -7.874 1.00 64.43 H new ATOM 0 HG12 VAL A 19 10.347 -1.045 -8.951 1.00 64.43 H new ATOM 0 HG13 VAL A 19 10.982 -0.773 -7.311 1.00 64.43 H new ATOM 0 HG21 VAL A 19 9.166 -2.882 -5.960 1.00 4.11 H new ATOM 0 HG22 VAL A 19 9.395 -1.250 -5.288 1.00 4.11 H new ATOM 0 HG23 VAL A 19 7.755 -1.846 -5.640 1.00 4.11 H new ATOM 250 N GLU A 20 10.289 1.661 -7.650 1.00 42.43 N ATOM 251 CA GLU A 20 11.288 2.618 -7.184 1.00 32.13 C ATOM 252 C GLU A 20 10.601 3.830 -6.556 1.00 42.34 C ATOM 253 O GLU A 20 10.946 4.247 -5.447 1.00 15.11 O ATOM 254 CB GLU A 20 12.194 3.058 -8.345 1.00 55.51 C ATOM 255 CG GLU A 20 13.368 3.937 -7.922 1.00 3.43 C ATOM 256 CD GLU A 20 14.289 3.252 -6.920 1.00 53.44 C ATOM 257 OE1 GLU A 20 14.827 2.170 -7.242 1.00 25.30 O ATOM 258 OE2 GLU A 20 14.494 3.798 -5.815 1.00 64.11 O ATOM 0 H GLU A 20 10.335 1.454 -8.648 1.00 42.43 H new ATOM 0 HA GLU A 20 11.908 2.135 -6.428 1.00 32.13 H new ATOM 0 HB2 GLU A 20 12.581 2.171 -8.846 1.00 55.51 H new ATOM 0 HB3 GLU A 20 11.593 3.600 -9.075 1.00 55.51 H new ATOM 0 HG2 GLU A 20 13.943 4.216 -8.805 1.00 3.43 H new ATOM 0 HG3 GLU A 20 12.986 4.860 -7.485 1.00 3.43 H new ATOM 265 N GLU A 21 9.616 4.383 -7.264 1.00 42.22 N ATOM 266 CA GLU A 21 8.859 5.525 -6.755 1.00 42.41 C ATOM 267 C GLU A 21 8.000 5.118 -5.558 1.00 73.53 C ATOM 268 O GLU A 21 7.974 5.806 -4.539 1.00 53.43 O ATOM 269 CB GLU A 21 7.977 6.134 -7.851 1.00 73.25 C ATOM 270 CG GLU A 21 8.758 6.685 -9.039 1.00 60.32 C ATOM 271 CD GLU A 21 7.888 7.515 -9.968 1.00 74.13 C ATOM 272 OE1 GLU A 21 7.715 8.724 -9.700 1.00 24.45 O ATOM 273 OE2 GLU A 21 7.371 6.971 -10.967 1.00 22.43 O ATOM 0 H GLU A 21 9.325 4.060 -8.187 1.00 42.22 H new ATOM 0 HA GLU A 21 9.577 6.278 -6.430 1.00 42.41 H new ATOM 0 HB2 GLU A 21 7.281 5.374 -8.207 1.00 73.25 H new ATOM 0 HB3 GLU A 21 7.379 6.936 -7.418 1.00 73.25 H new ATOM 0 HG2 GLU A 21 9.584 7.297 -8.676 1.00 60.32 H new ATOM 0 HG3 GLU A 21 9.196 5.858 -9.598 1.00 60.32 H new ATOM 280 N ALA A 22 7.310 3.988 -5.684 1.00 13.30 N ATOM 281 CA ALA A 22 6.453 3.480 -4.612 1.00 11.31 C ATOM 282 C ALA A 22 7.255 3.285 -3.327 1.00 3.30 C ATOM 283 O ALA A 22 6.782 3.586 -2.232 1.00 23.11 O ATOM 284 CB ALA A 22 5.797 2.171 -5.035 1.00 72.11 C ATOM 0 H ALA A 22 7.327 3.404 -6.520 1.00 13.30 H new ATOM 0 HA ALA A 22 5.671 4.215 -4.418 1.00 11.31 H new ATOM 0 HB1 ALA A 22 5.162 1.805 -4.228 1.00 72.11 H new ATOM 0 HB2 ALA A 22 5.191 2.339 -5.925 1.00 72.11 H new ATOM 0 HB3 ALA A 22 6.568 1.432 -5.255 1.00 72.11 H new ATOM 290 N MET A 23 8.488 2.807 -3.485 1.00 5.31 N ATOM 291 CA MET A 23 9.394 2.567 -2.360 1.00 34.05 C ATOM 292 C MET A 23 9.726 3.861 -1.621 1.00 1.33 C ATOM 293 O MET A 23 10.322 3.825 -0.555 1.00 2.30 O ATOM 294 CB MET A 23 10.688 1.874 -2.827 1.00 62.15 C ATOM 295 CG MET A 23 10.523 0.382 -3.096 1.00 72.24 C ATOM 296 SD MET A 23 10.125 -0.551 -1.604 1.00 23.24 S ATOM 297 CE MET A 23 9.896 -2.196 -2.283 1.00 14.33 C ATOM 0 H MET A 23 8.888 2.575 -4.394 1.00 5.31 H new ATOM 0 HA MET A 23 8.876 1.904 -1.667 1.00 34.05 H new ATOM 0 HB2 MET A 23 11.042 2.361 -3.736 1.00 62.15 H new ATOM 0 HB3 MET A 23 11.458 2.014 -2.069 1.00 62.15 H new ATOM 0 HG2 MET A 23 9.734 0.234 -3.834 1.00 72.24 H new ATOM 0 HG3 MET A 23 11.443 -0.009 -3.530 1.00 72.24 H new ATOM 0 HE1 MET A 23 9.644 -2.889 -1.480 1.00 14.33 H new ATOM 0 HE2 MET A 23 9.088 -2.178 -3.014 1.00 14.33 H new ATOM 0 HE3 MET A 23 10.817 -2.521 -2.767 1.00 14.33 H new ATOM 307 N ARG A 24 9.393 5.001 -2.217 1.00 42.14 N ATOM 308 CA ARG A 24 9.617 6.294 -1.576 1.00 62.11 C ATOM 309 C ARG A 24 8.442 6.659 -0.659 1.00 11.14 C ATOM 310 O ARG A 24 8.596 7.450 0.275 1.00 60.13 O ATOM 311 CB ARG A 24 9.805 7.390 -2.635 1.00 61.10 C ATOM 312 CG ARG A 24 10.249 8.735 -2.063 1.00 20.31 C ATOM 313 CD ARG A 24 11.697 8.697 -1.585 1.00 64.14 C ATOM 314 NE ARG A 24 12.625 8.506 -2.703 1.00 72.45 N ATOM 315 CZ ARG A 24 13.911 8.169 -2.575 1.00 13.14 C ATOM 316 NH1 ARG A 24 14.438 7.942 -1.378 1.00 43.21 N ATOM 317 NH2 ARG A 24 14.672 8.058 -3.653 1.00 34.21 N ATOM 0 H ARG A 24 8.967 5.057 -3.142 1.00 42.14 H new ATOM 0 HA ARG A 24 10.522 6.219 -0.973 1.00 62.11 H new ATOM 0 HB2 ARG A 24 10.543 7.055 -3.363 1.00 61.10 H new ATOM 0 HB3 ARG A 24 8.867 7.527 -3.172 1.00 61.10 H new ATOM 0 HG2 ARG A 24 10.137 9.508 -2.823 1.00 20.31 H new ATOM 0 HG3 ARG A 24 9.599 9.009 -1.232 1.00 20.31 H new ATOM 0 HD2 ARG A 24 11.935 9.626 -1.067 1.00 64.14 H new ATOM 0 HD3 ARG A 24 11.823 7.889 -0.864 1.00 64.14 H new ATOM 0 HE ARG A 24 12.263 8.640 -3.647 1.00 72.45 H new ATOM 0 HH11 ARG A 24 13.859 8.024 -0.542 1.00 43.21 H new ATOM 0 HH12 ARG A 24 15.422 7.685 -1.294 1.00 43.21 H new ATOM 0 HH21 ARG A 24 14.276 8.230 -4.577 1.00 34.21 H new ATOM 0 HH22 ARG A 24 15.655 7.801 -3.559 1.00 34.21 H new ATOM 331 N ASP A 25 7.272 6.081 -0.927 1.00 50.04 N ATOM 332 CA ASP A 25 6.047 6.446 -0.205 1.00 2.32 C ATOM 333 C ASP A 25 5.572 5.336 0.733 1.00 43.24 C ATOM 334 O ASP A 25 4.928 5.610 1.742 1.00 23.31 O ATOM 335 CB ASP A 25 4.928 6.803 -1.197 1.00 33.15 C ATOM 336 CG ASP A 25 5.201 8.102 -1.940 1.00 24.11 C ATOM 337 OD1 ASP A 25 4.870 9.184 -1.401 1.00 20.22 O ATOM 338 OD2 ASP A 25 5.753 8.054 -3.061 1.00 5.22 O ATOM 0 H ASP A 25 7.143 5.359 -1.636 1.00 50.04 H new ATOM 0 HA ASP A 25 6.286 7.315 0.408 1.00 2.32 H new ATOM 0 HB2 ASP A 25 4.814 5.993 -1.918 1.00 33.15 H new ATOM 0 HB3 ASP A 25 3.984 6.887 -0.659 1.00 33.15 H new ATOM 343 N VAL A 26 5.893 4.087 0.415 1.00 55.44 N ATOM 344 CA VAL A 26 5.436 2.956 1.227 1.00 44.43 C ATOM 345 C VAL A 26 6.503 2.537 2.236 1.00 2.14 C ATOM 346 O VAL A 26 6.479 1.421 2.768 1.00 45.34 O ATOM 347 CB VAL A 26 5.039 1.748 0.342 1.00 61.22 C ATOM 348 CG1 VAL A 26 3.948 2.154 -0.651 1.00 35.44 C ATOM 349 CG2 VAL A 26 6.257 1.168 -0.381 1.00 73.12 C ATOM 0 H VAL A 26 6.462 3.829 -0.391 1.00 55.44 H new ATOM 0 HA VAL A 26 4.552 3.287 1.772 1.00 44.43 H new ATOM 0 HB VAL A 26 4.641 0.966 0.988 1.00 61.22 H new ATOM 0 HG11 VAL A 26 3.679 1.296 -1.267 1.00 35.44 H new ATOM 0 HG12 VAL A 26 3.070 2.499 -0.106 1.00 35.44 H new ATOM 0 HG13 VAL A 26 4.317 2.957 -1.289 1.00 35.44 H new ATOM 0 HG21 VAL A 26 5.947 0.322 -0.994 1.00 73.12 H new ATOM 0 HG22 VAL A 26 6.701 1.934 -1.017 1.00 73.12 H new ATOM 0 HG23 VAL A 26 6.991 0.835 0.353 1.00 73.12 H new ATOM 359 N VAL A 27 7.414 3.455 2.528 1.00 2.31 N ATOM 360 CA VAL A 27 8.530 3.181 3.422 1.00 32.10 C ATOM 361 C VAL A 27 8.707 4.318 4.423 1.00 50.15 C ATOM 362 O VAL A 27 8.199 5.424 4.222 1.00 71.32 O ATOM 363 CB VAL A 27 9.857 3.015 2.628 1.00 12.53 C ATOM 364 CG1 VAL A 27 10.392 4.372 2.170 1.00 35.22 C ATOM 365 CG2 VAL A 27 10.911 2.271 3.447 1.00 54.45 C ATOM 0 H VAL A 27 7.401 4.404 2.155 1.00 2.31 H new ATOM 0 HA VAL A 27 8.303 2.253 3.947 1.00 32.10 H new ATOM 0 HB VAL A 27 9.637 2.415 1.745 1.00 12.53 H new ATOM 0 HG11 VAL A 27 11.320 4.229 1.617 1.00 35.22 H new ATOM 0 HG12 VAL A 27 9.657 4.855 1.526 1.00 35.22 H new ATOM 0 HG13 VAL A 27 10.581 5.001 3.040 1.00 35.22 H new ATOM 0 HG21 VAL A 27 11.825 2.173 2.861 1.00 54.45 H new ATOM 0 HG22 VAL A 27 11.123 2.828 4.359 1.00 54.45 H new ATOM 0 HG23 VAL A 27 10.538 1.280 3.706 1.00 54.45 H new ATOM 375 N ASP A 28 9.412 4.020 5.500 1.00 31.10 N ATOM 376 CA ASP A 28 9.946 5.028 6.399 1.00 5.52 C ATOM 377 C ASP A 28 11.409 5.257 6.033 1.00 44.21 C ATOM 378 O ASP A 28 12.284 4.506 6.467 1.00 24.32 O ATOM 379 CB ASP A 28 9.824 4.559 7.859 1.00 11.44 C ATOM 380 CG ASP A 28 10.591 5.443 8.837 1.00 21.43 C ATOM 381 OD1 ASP A 28 9.991 6.371 9.412 1.00 51.05 O ATOM 382 OD2 ASP A 28 11.800 5.201 9.045 1.00 41.54 O ATOM 0 H ASP A 28 9.632 3.063 5.778 1.00 31.10 H new ATOM 0 HA ASP A 28 9.385 5.957 6.300 1.00 5.52 H new ATOM 0 HB2 ASP A 28 8.772 4.542 8.142 1.00 11.44 H new ATOM 0 HB3 ASP A 28 10.192 3.536 7.938 1.00 11.44 H new ATOM 387 N PRO A 29 11.698 6.255 5.175 1.00 50.32 N ATOM 388 CA PRO A 29 13.064 6.536 4.738 1.00 34.13 C ATOM 389 C PRO A 29 13.807 7.395 5.754 1.00 63.10 C ATOM 390 O PRO A 29 15.024 7.584 5.664 1.00 72.23 O ATOM 391 CB PRO A 29 12.853 7.287 3.419 1.00 44.45 C ATOM 392 CG PRO A 29 11.555 8.009 3.594 1.00 24.02 C ATOM 393 CD PRO A 29 10.724 7.187 4.557 1.00 42.22 C ATOM 0 HA PRO A 29 13.673 5.639 4.629 1.00 34.13 H new ATOM 0 HB2 PRO A 29 13.669 7.983 3.225 1.00 44.45 H new ATOM 0 HB3 PRO A 29 12.812 6.599 2.574 1.00 44.45 H new ATOM 0 HG2 PRO A 29 11.721 9.013 3.986 1.00 24.02 H new ATOM 0 HG3 PRO A 29 11.042 8.120 2.638 1.00 24.02 H new ATOM 0 HD2 PRO A 29 10.244 7.816 5.307 1.00 42.22 H new ATOM 0 HD3 PRO A 29 9.931 6.648 4.039 1.00 42.22 H new ATOM 401 N GLU A 30 13.054 7.899 6.725 1.00 24.32 N ATOM 402 CA GLU A 30 13.586 8.778 7.751 1.00 23.12 C ATOM 403 C GLU A 30 14.533 8.011 8.672 1.00 31.22 C ATOM 404 O GLU A 30 15.586 8.520 9.058 1.00 31.22 O ATOM 405 CB GLU A 30 12.432 9.410 8.541 1.00 50.15 C ATOM 406 CG GLU A 30 11.407 10.114 7.651 1.00 72.11 C ATOM 407 CD GLU A 30 10.361 10.888 8.440 1.00 34.33 C ATOM 408 OE1 GLU A 30 9.237 10.373 8.630 1.00 5.01 O ATOM 409 OE2 GLU A 30 10.661 12.021 8.872 1.00 15.41 O ATOM 0 H GLU A 30 12.057 7.707 6.820 1.00 24.32 H new ATOM 0 HA GLU A 30 14.158 9.577 7.279 1.00 23.12 H new ATOM 0 HB2 GLU A 30 11.929 8.635 9.120 1.00 50.15 H new ATOM 0 HB3 GLU A 30 12.838 10.128 9.254 1.00 50.15 H new ATOM 0 HG2 GLU A 30 11.927 10.798 6.980 1.00 72.11 H new ATOM 0 HG3 GLU A 30 10.907 9.373 7.027 1.00 72.11 H new ATOM 416 N LEU A 31 14.144 6.787 9.032 1.00 13.21 N ATOM 417 CA LEU A 31 15.012 5.897 9.812 1.00 42.32 C ATOM 418 C LEU A 31 15.394 4.665 8.985 1.00 3.34 C ATOM 419 O LEU A 31 16.362 3.968 9.304 1.00 24.33 O ATOM 420 CB LEU A 31 14.341 5.465 11.132 1.00 43.42 C ATOM 421 CG LEU A 31 14.178 6.562 12.209 1.00 73.12 C ATOM 422 CD1 LEU A 31 13.143 7.604 11.796 1.00 64.40 C ATOM 423 CD2 LEU A 31 13.818 5.942 13.560 1.00 71.04 C ATOM 0 H LEU A 31 13.235 6.388 8.797 1.00 13.21 H new ATOM 0 HA LEU A 31 15.916 6.453 10.063 1.00 42.32 H new ATOM 0 HB2 LEU A 31 13.354 5.065 10.899 1.00 43.42 H new ATOM 0 HB3 LEU A 31 14.923 4.649 11.560 1.00 43.42 H new ATOM 0 HG LEU A 31 15.135 7.074 12.309 1.00 73.12 H new ATOM 0 HD11 LEU A 31 13.055 8.359 12.577 1.00 64.40 H new ATOM 0 HD12 LEU A 31 13.456 8.079 10.866 1.00 64.40 H new ATOM 0 HD13 LEU A 31 12.178 7.120 11.649 1.00 64.40 H new ATOM 0 HD21 LEU A 31 13.708 6.731 14.304 1.00 71.04 H new ATOM 0 HD22 LEU A 31 12.880 5.394 13.470 1.00 71.04 H new ATOM 0 HD23 LEU A 31 14.609 5.259 13.869 1.00 71.04 H new ATOM 435 N GLY A 32 14.628 4.396 7.926 1.00 53.33 N ATOM 436 CA GLY A 32 14.986 3.342 6.981 1.00 74.24 C ATOM 437 C GLY A 32 14.320 2.005 7.276 1.00 1.51 C ATOM 438 O GLY A 32 14.970 0.955 7.208 1.00 43.22 O ATOM 0 H GLY A 32 13.764 4.890 7.704 1.00 53.33 H new ATOM 0 HA2 GLY A 32 14.713 3.660 5.975 1.00 74.24 H new ATOM 0 HA3 GLY A 32 16.068 3.209 6.991 1.00 74.24 H new ATOM 442 N ILE A 33 13.023 2.031 7.591 1.00 30.33 N ATOM 443 CA ILE A 33 12.251 0.803 7.827 1.00 35.15 C ATOM 444 C ILE A 33 11.083 0.757 6.850 1.00 55.00 C ATOM 445 O ILE A 33 10.481 1.785 6.568 1.00 33.21 O ATOM 446 CB ILE A 33 11.689 0.706 9.277 1.00 11.23 C ATOM 447 CG1 ILE A 33 12.807 0.836 10.328 1.00 61.25 C ATOM 448 CG2 ILE A 33 10.924 -0.603 9.477 1.00 55.04 C ATOM 449 CD1 ILE A 33 13.263 2.258 10.565 1.00 42.24 C ATOM 0 H ILE A 33 12.482 2.890 7.689 1.00 30.33 H new ATOM 0 HA ILE A 33 12.931 -0.036 7.682 1.00 35.15 H new ATOM 0 HB ILE A 33 11.000 1.539 9.415 1.00 11.23 H new ATOM 0 HG12 ILE A 33 12.457 0.415 11.271 1.00 61.25 H new ATOM 0 HG13 ILE A 33 13.662 0.239 10.011 1.00 61.25 H new ATOM 0 HG21 ILE A 33 10.541 -0.648 10.496 1.00 55.04 H new ATOM 0 HG22 ILE A 33 10.092 -0.649 8.774 1.00 55.04 H new ATOM 0 HG23 ILE A 33 11.593 -1.446 9.303 1.00 55.04 H new ATOM 0 HD11 ILE A 33 14.051 2.267 11.318 1.00 42.24 H new ATOM 0 HD12 ILE A 33 13.645 2.677 9.634 1.00 42.24 H new ATOM 0 HD13 ILE A 33 12.422 2.857 10.914 1.00 42.24 H new ATOM 461 N ASN A 34 10.756 -0.419 6.330 1.00 5.21 N ATOM 462 CA ASN A 34 9.660 -0.540 5.370 1.00 30.12 C ATOM 463 C ASN A 34 8.467 -1.224 6.032 1.00 52.23 C ATOM 464 O ASN A 34 8.636 -2.138 6.833 1.00 12.13 O ATOM 465 CB ASN A 34 10.105 -1.307 4.110 1.00 41.44 C ATOM 466 CG ASN A 34 10.421 -2.768 4.374 1.00 43.25 C ATOM 467 OD1 ASN A 34 9.560 -3.630 4.249 1.00 71.21 O ATOM 468 ND2 ASN A 34 11.657 -3.053 4.748 1.00 74.24 N ATOM 0 H ASN A 34 11.227 -1.296 6.552 1.00 5.21 H new ATOM 0 HA ASN A 34 9.363 0.460 5.054 1.00 30.12 H new ATOM 0 HB2 ASN A 34 9.318 -1.243 3.358 1.00 41.44 H new ATOM 0 HB3 ASN A 34 10.987 -0.822 3.691 1.00 41.44 H new ATOM 0 HD21 ASN A 34 11.921 -4.019 4.943 1.00 74.24 H new ATOM 0 HD22 ASN A 34 12.347 -2.307 4.841 1.00 74.24 H new ATOM 475 N VAL A 35 7.263 -0.766 5.702 1.00 4.44 N ATOM 476 CA VAL A 35 6.043 -1.303 6.305 1.00 72.45 C ATOM 477 C VAL A 35 5.912 -2.804 6.021 1.00 33.35 C ATOM 478 O VAL A 35 5.357 -3.564 6.823 1.00 13.34 O ATOM 479 CB VAL A 35 4.787 -0.551 5.786 1.00 63.52 C ATOM 480 CG1 VAL A 35 3.519 -1.058 6.474 1.00 44.14 C ATOM 481 CG2 VAL A 35 4.947 0.961 5.979 1.00 12.44 C ATOM 0 H VAL A 35 7.104 -0.024 5.020 1.00 4.44 H new ATOM 0 HA VAL A 35 6.113 -1.155 7.383 1.00 72.45 H new ATOM 0 HB VAL A 35 4.689 -0.751 4.719 1.00 63.52 H new ATOM 0 HG11 VAL A 35 2.655 -0.514 6.092 1.00 44.14 H new ATOM 0 HG12 VAL A 35 3.396 -2.122 6.272 1.00 44.14 H new ATOM 0 HG13 VAL A 35 3.600 -0.900 7.549 1.00 44.14 H new ATOM 0 HG21 VAL A 35 4.057 1.471 5.610 1.00 12.44 H new ATOM 0 HG22 VAL A 35 5.078 1.181 7.039 1.00 12.44 H new ATOM 0 HG23 VAL A 35 5.820 1.308 5.426 1.00 12.44 H new ATOM 491 N VAL A 36 6.464 -3.227 4.885 1.00 21.21 N ATOM 492 CA VAL A 36 6.427 -4.627 4.477 1.00 60.32 C ATOM 493 C VAL A 36 7.126 -5.511 5.520 1.00 0.31 C ATOM 494 O VAL A 36 6.822 -6.700 5.633 1.00 72.24 O ATOM 495 CB VAL A 36 7.076 -4.833 3.080 1.00 71.23 C ATOM 496 CG1 VAL A 36 6.944 -6.286 2.619 1.00 75.04 C ATOM 497 CG2 VAL A 36 6.463 -3.879 2.053 1.00 25.54 C ATOM 0 H VAL A 36 6.945 -2.613 4.228 1.00 21.21 H new ATOM 0 HA VAL A 36 5.380 -4.920 4.407 1.00 60.32 H new ATOM 0 HB VAL A 36 8.139 -4.606 3.167 1.00 71.23 H new ATOM 0 HG11 VAL A 36 7.407 -6.400 1.639 1.00 75.04 H new ATOM 0 HG12 VAL A 36 7.442 -6.941 3.334 1.00 75.04 H new ATOM 0 HG13 VAL A 36 5.889 -6.553 2.555 1.00 75.04 H new ATOM 0 HG21 VAL A 36 6.931 -4.040 1.082 1.00 25.54 H new ATOM 0 HG22 VAL A 36 5.392 -4.068 1.975 1.00 25.54 H new ATOM 0 HG23 VAL A 36 6.628 -2.849 2.369 1.00 25.54 H new ATOM 507 N ASP A 37 8.048 -4.914 6.289 1.00 14.14 N ATOM 508 CA ASP A 37 8.759 -5.627 7.361 1.00 42.51 C ATOM 509 C ASP A 37 7.780 -6.246 8.359 1.00 3.31 C ATOM 510 O ASP A 37 8.085 -7.264 8.982 1.00 51.12 O ATOM 511 CB ASP A 37 9.723 -4.702 8.129 1.00 65.01 C ATOM 512 CG ASP A 37 10.986 -4.342 7.357 1.00 72.32 C ATOM 513 OD1 ASP A 37 11.542 -5.216 6.655 1.00 24.35 O ATOM 514 OD2 ASP A 37 11.462 -3.188 7.482 1.00 24.34 O ATOM 0 H ASP A 37 8.320 -3.936 6.188 1.00 14.14 H new ATOM 0 HA ASP A 37 9.335 -6.413 6.873 1.00 42.51 H new ATOM 0 HB2 ASP A 37 9.197 -3.784 8.392 1.00 65.01 H new ATOM 0 HB3 ASP A 37 10.007 -5.186 9.064 1.00 65.01 H new ATOM 519 N LEU A 38 6.602 -5.628 8.517 1.00 70.03 N ATOM 520 CA LEU A 38 5.584 -6.147 9.439 1.00 23.12 C ATOM 521 C LEU A 38 5.073 -7.510 8.962 1.00 64.21 C ATOM 522 O LEU A 38 4.402 -8.234 9.701 1.00 25.42 O ATOM 523 CB LEU A 38 4.415 -5.152 9.589 1.00 61.01 C ATOM 524 CG LEU A 38 4.691 -3.920 10.481 1.00 75.31 C ATOM 525 CD1 LEU A 38 5.052 -4.345 11.904 1.00 32.22 C ATOM 526 CD2 LEU A 38 5.788 -3.038 9.888 1.00 3.02 C ATOM 0 H LEU A 38 6.332 -4.777 8.024 1.00 70.03 H new ATOM 0 HA LEU A 38 6.047 -6.273 10.418 1.00 23.12 H new ATOM 0 HB2 LEU A 38 4.131 -4.802 8.597 1.00 61.01 H new ATOM 0 HB3 LEU A 38 3.557 -5.687 9.996 1.00 61.01 H new ATOM 0 HG LEU A 38 3.774 -3.332 10.521 1.00 75.31 H new ATOM 0 HD11 LEU A 38 5.241 -3.460 12.511 1.00 32.22 H new ATOM 0 HD12 LEU A 38 4.226 -4.911 12.335 1.00 32.22 H new ATOM 0 HD13 LEU A 38 5.946 -4.968 11.882 1.00 32.22 H new ATOM 0 HD21 LEU A 38 5.958 -2.181 10.539 1.00 3.02 H new ATOM 0 HD22 LEU A 38 6.709 -3.614 9.799 1.00 3.02 H new ATOM 0 HD23 LEU A 38 5.481 -2.689 8.902 1.00 3.02 H new ATOM 538 N GLY A 39 5.385 -7.825 7.708 1.00 61.12 N ATOM 539 CA GLY A 39 5.088 -9.122 7.118 1.00 73.12 C ATOM 540 C GLY A 39 3.613 -9.481 7.125 1.00 5.10 C ATOM 541 O GLY A 39 3.259 -10.660 7.051 1.00 24.01 O ATOM 0 H GLY A 39 5.854 -7.182 7.070 1.00 61.12 H new ATOM 0 HA2 GLY A 39 5.449 -9.133 6.090 1.00 73.12 H new ATOM 0 HA3 GLY A 39 5.641 -9.890 7.658 1.00 73.12 H new ATOM 545 N LEU A 40 2.748 -8.473 7.217 1.00 2.12 N ATOM 546 CA LEU A 40 1.317 -8.672 6.987 1.00 12.45 C ATOM 547 C LEU A 40 0.973 -8.258 5.562 1.00 43.21 C ATOM 548 O LEU A 40 0.070 -8.813 4.938 1.00 21.44 O ATOM 549 CB LEU A 40 0.460 -7.886 7.991 1.00 41.22 C ATOM 550 CG LEU A 40 -1.056 -8.151 7.886 1.00 35.23 C ATOM 551 CD1 LEU A 40 -1.364 -9.634 8.088 1.00 3.22 C ATOM 552 CD2 LEU A 40 -1.830 -7.299 8.888 1.00 42.12 C ATOM 0 H LEU A 40 3.010 -7.515 7.448 1.00 2.12 H new ATOM 0 HA LEU A 40 1.093 -9.729 7.130 1.00 12.45 H new ATOM 0 HB2 LEU A 40 0.789 -8.132 9.001 1.00 41.22 H new ATOM 0 HB3 LEU A 40 0.640 -6.821 7.847 1.00 41.22 H new ATOM 0 HG LEU A 40 -1.377 -7.870 6.883 1.00 35.23 H new ATOM 0 HD11 LEU A 40 -2.439 -9.796 8.010 1.00 3.22 H new ATOM 0 HD12 LEU A 40 -0.852 -10.219 7.324 1.00 3.22 H new ATOM 0 HD13 LEU A 40 -1.021 -9.946 9.075 1.00 3.22 H new ATOM 0 HD21 LEU A 40 -2.896 -7.505 8.793 1.00 42.12 H new ATOM 0 HD22 LEU A 40 -1.502 -7.539 9.899 1.00 42.12 H new ATOM 0 HD23 LEU A 40 -1.645 -6.244 8.688 1.00 42.12 H new ATOM 564 N VAL A 41 1.741 -7.295 5.049 1.00 53.22 N ATOM 565 CA VAL A 41 1.519 -6.730 3.717 1.00 50.24 C ATOM 566 C VAL A 41 1.611 -7.811 2.636 1.00 50.34 C ATOM 567 O VAL A 41 1.200 -7.604 1.498 1.00 13.42 O ATOM 568 CB VAL A 41 2.539 -5.594 3.419 1.00 14.15 C ATOM 569 CG1 VAL A 41 2.235 -4.906 2.087 1.00 62.23 C ATOM 570 CG2 VAL A 41 2.565 -4.574 4.561 1.00 42.40 C ATOM 0 H VAL A 41 2.533 -6.885 5.544 1.00 53.22 H new ATOM 0 HA VAL A 41 0.513 -6.311 3.702 1.00 50.24 H new ATOM 0 HB VAL A 41 3.527 -6.049 3.341 1.00 14.15 H new ATOM 0 HG11 VAL A 41 2.966 -4.118 1.909 1.00 62.23 H new ATOM 0 HG12 VAL A 41 2.286 -5.637 1.280 1.00 62.23 H new ATOM 0 HG13 VAL A 41 1.235 -4.473 2.121 1.00 62.23 H new ATOM 0 HG21 VAL A 41 3.285 -3.789 4.331 1.00 42.40 H new ATOM 0 HG22 VAL A 41 1.574 -4.135 4.679 1.00 42.40 H new ATOM 0 HG23 VAL A 41 2.854 -5.072 5.487 1.00 42.40 H new ATOM 580 N TYR A 42 2.130 -8.981 3.013 1.00 3.10 N ATOM 581 CA TYR A 42 2.214 -10.120 2.103 1.00 51.02 C ATOM 582 C TYR A 42 0.816 -10.499 1.614 1.00 12.12 C ATOM 583 O TYR A 42 0.656 -11.108 0.552 1.00 33.04 O ATOM 584 CB TYR A 42 2.884 -11.316 2.800 1.00 51.42 C ATOM 585 CG TYR A 42 2.913 -12.583 1.955 1.00 50.41 C ATOM 586 CD1 TYR A 42 2.054 -13.644 2.226 1.00 3.32 C ATOM 587 CD2 TYR A 42 3.784 -12.707 0.876 1.00 42.45 C ATOM 588 CE1 TYR A 42 2.064 -14.787 1.450 1.00 42.15 C ATOM 589 CE2 TYR A 42 3.801 -13.850 0.099 1.00 53.40 C ATOM 590 CZ TYR A 42 2.937 -14.887 0.388 1.00 65.34 C ATOM 591 OH TYR A 42 2.941 -16.028 -0.391 1.00 44.52 O ATOM 0 H TYR A 42 2.499 -9.163 3.946 1.00 3.10 H new ATOM 0 HA TYR A 42 2.823 -9.841 1.243 1.00 51.02 H new ATOM 0 HB2 TYR A 42 3.906 -11.044 3.066 1.00 51.42 H new ATOM 0 HB3 TYR A 42 2.357 -11.524 3.731 1.00 51.42 H new ATOM 0 HD1 TYR A 42 1.368 -13.573 3.057 1.00 3.32 H new ATOM 0 HD2 TYR A 42 4.458 -11.896 0.642 1.00 42.45 H new ATOM 0 HE1 TYR A 42 1.390 -15.600 1.675 1.00 42.15 H new ATOM 0 HE2 TYR A 42 4.487 -13.931 -0.731 1.00 53.40 H new ATOM 0 HH TYR A 42 3.613 -15.939 -1.098 1.00 44.52 H new ATOM 601 N GLY A 43 -0.191 -10.124 2.397 1.00 12.02 N ATOM 602 CA GLY A 43 -1.570 -10.351 2.019 1.00 43.30 C ATOM 603 C GLY A 43 -2.057 -9.341 0.997 1.00 41.31 C ATOM 604 O GLY A 43 -3.096 -8.710 1.179 1.00 53.34 O ATOM 0 H GLY A 43 -0.071 -9.661 3.298 1.00 12.02 H new ATOM 0 HA2 GLY A 43 -1.672 -11.357 1.611 1.00 43.30 H new ATOM 0 HA3 GLY A 43 -2.201 -10.301 2.906 1.00 43.30 H new ATOM 608 N LEU A 44 -1.284 -9.169 -0.072 1.00 0.43 N ATOM 609 CA LEU A 44 -1.673 -8.305 -1.174 1.00 30.45 C ATOM 610 C LEU A 44 -2.018 -9.152 -2.395 1.00 54.44 C ATOM 611 O LEU A 44 -1.329 -10.130 -2.699 1.00 31.44 O ATOM 612 CB LEU A 44 -0.561 -7.274 -1.482 1.00 75.41 C ATOM 613 CG LEU A 44 0.860 -7.829 -1.769 1.00 32.41 C ATOM 614 CD1 LEU A 44 0.998 -8.322 -3.208 1.00 74.41 C ATOM 615 CD2 LEU A 44 1.924 -6.772 -1.469 1.00 32.54 C ATOM 0 H LEU A 44 -0.378 -9.622 -0.195 1.00 0.43 H new ATOM 0 HA LEU A 44 -2.561 -7.740 -0.892 1.00 30.45 H new ATOM 0 HB2 LEU A 44 -0.875 -6.686 -2.345 1.00 75.41 H new ATOM 0 HB3 LEU A 44 -0.492 -6.589 -0.637 1.00 75.41 H new ATOM 0 HG LEU A 44 1.012 -8.683 -1.109 1.00 32.41 H new ATOM 0 HD11 LEU A 44 2.007 -8.702 -3.367 1.00 74.41 H new ATOM 0 HD12 LEU A 44 0.277 -9.119 -3.390 1.00 74.41 H new ATOM 0 HD13 LEU A 44 0.809 -7.497 -3.895 1.00 74.41 H new ATOM 0 HD21 LEU A 44 2.913 -7.182 -1.677 1.00 32.54 H new ATOM 0 HD22 LEU A 44 1.755 -5.897 -2.096 1.00 32.54 H new ATOM 0 HD23 LEU A 44 1.864 -6.483 -0.420 1.00 32.54 H new ATOM 627 N ASP A 45 -3.100 -8.789 -3.064 1.00 20.23 N ATOM 628 CA ASP A 45 -3.565 -9.499 -4.244 1.00 3.11 C ATOM 629 C ASP A 45 -4.434 -8.577 -5.091 1.00 65.41 C ATOM 630 O ASP A 45 -5.503 -8.139 -4.660 1.00 53.44 O ATOM 631 CB ASP A 45 -4.355 -10.754 -3.842 1.00 63.13 C ATOM 632 CG ASP A 45 -4.886 -11.525 -5.044 1.00 74.14 C ATOM 633 OD1 ASP A 45 -4.079 -12.160 -5.753 1.00 43.42 O ATOM 634 OD2 ASP A 45 -6.114 -11.510 -5.279 1.00 4.13 O ATOM 0 H ASP A 45 -3.682 -7.992 -2.804 1.00 20.23 H new ATOM 0 HA ASP A 45 -2.700 -9.812 -4.829 1.00 3.11 H new ATOM 0 HB2 ASP A 45 -3.714 -11.408 -3.251 1.00 63.13 H new ATOM 0 HB3 ASP A 45 -5.190 -10.464 -3.204 1.00 63.13 H new ATOM 639 N VAL A 46 -3.954 -8.246 -6.279 1.00 42.01 N ATOM 640 CA VAL A 46 -4.707 -7.407 -7.198 1.00 53.40 C ATOM 641 C VAL A 46 -5.575 -8.279 -8.100 1.00 2.43 C ATOM 642 O VAL A 46 -5.081 -9.212 -8.740 1.00 52.54 O ATOM 643 CB VAL A 46 -3.775 -6.507 -8.052 1.00 21.14 C ATOM 644 CG1 VAL A 46 -2.724 -7.333 -8.786 1.00 74.54 C ATOM 645 CG2 VAL A 46 -4.590 -5.663 -9.033 1.00 14.33 C ATOM 0 H VAL A 46 -3.045 -8.546 -6.630 1.00 42.01 H new ATOM 0 HA VAL A 46 -5.344 -6.748 -6.607 1.00 53.40 H new ATOM 0 HB VAL A 46 -3.250 -5.833 -7.375 1.00 21.14 H new ATOM 0 HG11 VAL A 46 -2.088 -6.672 -9.375 1.00 74.54 H new ATOM 0 HG12 VAL A 46 -2.114 -7.873 -8.061 1.00 74.54 H new ATOM 0 HG13 VAL A 46 -3.218 -8.045 -9.447 1.00 74.54 H new ATOM 0 HG21 VAL A 46 -3.918 -5.039 -9.622 1.00 14.33 H new ATOM 0 HG22 VAL A 46 -5.152 -6.319 -9.698 1.00 14.33 H new ATOM 0 HG23 VAL A 46 -5.282 -5.028 -8.479 1.00 14.33 H new ATOM 655 N GLN A 47 -6.871 -7.998 -8.127 1.00 31.51 N ATOM 656 CA GLN A 47 -7.807 -8.775 -8.929 1.00 5.05 C ATOM 657 C GLN A 47 -8.589 -7.861 -9.862 1.00 42.14 C ATOM 658 O GLN A 47 -8.768 -6.668 -9.585 1.00 73.41 O ATOM 659 CB GLN A 47 -8.765 -9.571 -8.028 1.00 74.12 C ATOM 660 CG GLN A 47 -9.739 -8.710 -7.226 1.00 41.33 C ATOM 661 CD GLN A 47 -10.647 -9.536 -6.331 1.00 21.04 C ATOM 662 OE1 GLN A 47 -10.258 -10.594 -5.835 1.00 4.23 O ATOM 663 NE2 GLN A 47 -11.868 -9.070 -6.130 1.00 1.31 N ATOM 0 H GLN A 47 -7.299 -7.236 -7.601 1.00 31.51 H new ATOM 0 HA GLN A 47 -7.238 -9.483 -9.531 1.00 5.05 H new ATOM 0 HB2 GLN A 47 -9.336 -10.263 -8.647 1.00 74.12 H new ATOM 0 HB3 GLN A 47 -8.177 -10.173 -7.336 1.00 74.12 H new ATOM 0 HG2 GLN A 47 -9.176 -8.005 -6.615 1.00 41.33 H new ATOM 0 HG3 GLN A 47 -10.348 -8.122 -7.912 1.00 41.33 H new ATOM 0 HE21 GLN A 47 -12.155 -8.189 -6.558 1.00 1.31 H new ATOM 0 HE22 GLN A 47 -12.523 -9.591 -5.547 1.00 1.31 H new ATOM 672 N ASP A 48 -9.033 -8.425 -10.974 1.00 23.11 N ATOM 673 CA ASP A 48 -9.815 -7.692 -11.958 1.00 53.20 C ATOM 674 C ASP A 48 -11.274 -7.623 -11.531 1.00 32.32 C ATOM 675 O ASP A 48 -11.767 -8.500 -10.812 1.00 14.24 O ATOM 676 CB ASP A 48 -9.698 -8.353 -13.337 1.00 62.25 C ATOM 677 CG ASP A 48 -10.099 -9.820 -13.319 1.00 54.24 C ATOM 678 OD1 ASP A 48 -11.263 -10.140 -13.646 1.00 53.54 O ATOM 679 OD2 ASP A 48 -9.245 -10.666 -12.979 1.00 3.42 O ATOM 0 H ASP A 48 -8.863 -9.400 -11.220 1.00 23.11 H new ATOM 0 HA ASP A 48 -9.422 -6.678 -12.024 1.00 53.20 H new ATOM 0 HB2 ASP A 48 -10.328 -7.817 -14.047 1.00 62.25 H new ATOM 0 HB3 ASP A 48 -8.671 -8.265 -13.692 1.00 62.25 H new ATOM 684 N GLY A 49 -11.948 -6.571 -11.963 1.00 10.44 N ATOM 685 CA GLY A 49 -13.350 -6.390 -11.665 1.00 12.51 C ATOM 686 C GLY A 49 -13.942 -5.274 -12.494 1.00 73.44 C ATOM 687 O GLY A 49 -13.208 -4.421 -13.002 1.00 54.12 O ATOM 0 H GLY A 49 -11.538 -5.826 -12.526 1.00 10.44 H new ATOM 0 HA2 GLY A 49 -13.889 -7.317 -11.860 1.00 12.51 H new ATOM 0 HA3 GLY A 49 -13.474 -6.166 -10.606 1.00 12.51 H new ATOM 691 N ASP A 50 -15.259 -5.263 -12.638 1.00 62.51 N ATOM 692 CA ASP A 50 -15.933 -4.239 -13.436 1.00 22.04 C ATOM 693 C ASP A 50 -15.955 -2.904 -12.702 1.00 14.25 C ATOM 694 O ASP A 50 -16.106 -1.850 -13.320 1.00 2.12 O ATOM 695 CB ASP A 50 -17.351 -4.678 -13.812 1.00 25.11 C ATOM 696 CG ASP A 50 -17.352 -5.765 -14.873 1.00 14.01 C ATOM 697 OD1 ASP A 50 -17.427 -5.431 -16.075 1.00 22.41 O ATOM 698 OD2 ASP A 50 -17.276 -6.961 -14.516 1.00 51.14 O ATOM 0 H ASP A 50 -15.885 -5.949 -12.215 1.00 62.51 H new ATOM 0 HA ASP A 50 -15.367 -4.109 -14.358 1.00 22.04 H new ATOM 0 HB2 ASP A 50 -17.865 -5.041 -12.922 1.00 25.11 H new ATOM 0 HB3 ASP A 50 -17.912 -3.817 -14.176 1.00 25.11 H new ATOM 703 N GLU A 51 -15.795 -2.952 -11.383 1.00 1.14 N ATOM 704 CA GLU A 51 -15.616 -1.734 -10.597 1.00 51.01 C ATOM 705 C GLU A 51 -14.234 -1.153 -10.889 1.00 33.11 C ATOM 706 O GLU A 51 -13.977 0.034 -10.670 1.00 24.23 O ATOM 707 CB GLU A 51 -15.773 -2.014 -9.091 1.00 21.13 C ATOM 708 CG GLU A 51 -14.739 -2.982 -8.520 1.00 5.50 C ATOM 709 CD GLU A 51 -14.881 -3.173 -7.014 1.00 61.44 C ATOM 710 OE1 GLU A 51 -15.719 -3.995 -6.591 1.00 20.34 O ATOM 711 OE2 GLU A 51 -14.163 -2.496 -6.243 1.00 24.02 O ATOM 0 H GLU A 51 -15.785 -3.814 -10.838 1.00 1.14 H new ATOM 0 HA GLU A 51 -16.386 -1.015 -10.878 1.00 51.01 H new ATOM 0 HB2 GLU A 51 -15.708 -1.070 -8.549 1.00 21.13 H new ATOM 0 HB3 GLU A 51 -16.769 -2.417 -8.910 1.00 21.13 H new ATOM 0 HG2 GLU A 51 -14.839 -3.948 -9.016 1.00 5.50 H new ATOM 0 HG3 GLU A 51 -13.738 -2.611 -8.742 1.00 5.50 H new ATOM 718 N GLY A 52 -13.360 -2.016 -11.402 1.00 72.24 N ATOM 719 CA GLY A 52 -11.998 -1.642 -11.729 1.00 44.04 C ATOM 720 C GLY A 52 -11.018 -2.698 -11.269 1.00 12.22 C ATOM 721 O GLY A 52 -11.369 -3.548 -10.448 1.00 44.45 O ATOM 0 H GLY A 52 -13.582 -2.992 -11.600 1.00 72.24 H new ATOM 0 HA2 GLY A 52 -11.905 -1.500 -12.806 1.00 44.04 H new ATOM 0 HA3 GLY A 52 -11.757 -0.688 -11.259 1.00 44.04 H new ATOM 725 N THR A 53 -9.805 -2.673 -11.807 1.00 73.23 N ATOM 726 CA THR A 53 -8.755 -3.561 -11.336 1.00 32.12 C ATOM 727 C THR A 53 -8.318 -3.101 -9.949 1.00 4.32 C ATOM 728 O THR A 53 -7.671 -2.060 -9.804 1.00 25.55 O ATOM 729 CB THR A 53 -7.548 -3.570 -12.300 1.00 65.24 C ATOM 730 OG1 THR A 53 -8.003 -3.811 -13.640 1.00 61.22 O ATOM 731 CG2 THR A 53 -6.532 -4.639 -11.907 1.00 73.44 C ATOM 0 H THR A 53 -9.527 -2.050 -12.566 1.00 73.23 H new ATOM 0 HA THR A 53 -9.143 -4.579 -11.293 1.00 32.12 H new ATOM 0 HB THR A 53 -7.060 -2.597 -12.241 1.00 65.24 H new ATOM 0 HG1 THR A 53 -7.236 -3.815 -14.250 1.00 61.22 H new ATOM 0 HG21 THR A 53 -5.695 -4.619 -12.605 1.00 73.44 H new ATOM 0 HG22 THR A 53 -6.168 -4.442 -10.898 1.00 73.44 H new ATOM 0 HG23 THR A 53 -7.006 -5.620 -11.937 1.00 73.44 H new ATOM 739 N VAL A 54 -8.703 -3.862 -8.936 1.00 13.33 N ATOM 740 CA VAL A 54 -8.534 -3.436 -7.550 1.00 54.14 C ATOM 741 C VAL A 54 -7.418 -4.214 -6.859 1.00 44.31 C ATOM 742 O VAL A 54 -7.368 -5.445 -6.920 1.00 45.00 O ATOM 743 CB VAL A 54 -9.858 -3.578 -6.750 1.00 13.30 C ATOM 744 CG1 VAL A 54 -10.351 -5.024 -6.744 1.00 41.40 C ATOM 745 CG2 VAL A 54 -9.696 -3.046 -5.325 1.00 11.40 C ATOM 0 H VAL A 54 -9.135 -4.779 -9.045 1.00 13.33 H new ATOM 0 HA VAL A 54 -8.255 -2.383 -7.572 1.00 54.14 H new ATOM 0 HB VAL A 54 -10.615 -2.974 -7.251 1.00 13.30 H new ATOM 0 HG11 VAL A 54 -11.279 -5.090 -6.176 1.00 41.40 H new ATOM 0 HG12 VAL A 54 -10.528 -5.352 -7.768 1.00 41.40 H new ATOM 0 HG13 VAL A 54 -9.598 -5.663 -6.283 1.00 41.40 H new ATOM 0 HG21 VAL A 54 -10.637 -3.157 -4.786 1.00 11.40 H new ATOM 0 HG22 VAL A 54 -8.916 -3.609 -4.813 1.00 11.40 H new ATOM 0 HG23 VAL A 54 -9.420 -1.992 -5.359 1.00 11.40 H new ATOM 755 N ALA A 55 -6.514 -3.483 -6.218 1.00 53.52 N ATOM 756 CA ALA A 55 -5.414 -4.091 -5.476 1.00 25.44 C ATOM 757 C ALA A 55 -5.800 -4.289 -4.010 1.00 33.24 C ATOM 758 O ALA A 55 -5.848 -3.326 -3.243 1.00 0.11 O ATOM 759 CB ALA A 55 -4.159 -3.230 -5.584 1.00 62.20 C ATOM 0 H ALA A 55 -6.521 -2.463 -6.197 1.00 53.52 H new ATOM 0 HA ALA A 55 -5.203 -5.068 -5.912 1.00 25.44 H new ATOM 0 HB1 ALA A 55 -3.348 -3.697 -5.025 1.00 62.20 H new ATOM 0 HB2 ALA A 55 -3.871 -3.136 -6.631 1.00 62.20 H new ATOM 0 HB3 ALA A 55 -4.360 -2.241 -5.173 1.00 62.20 H new ATOM 765 N LEU A 56 -6.095 -5.529 -3.634 1.00 31.21 N ATOM 766 CA LEU A 56 -6.431 -5.856 -2.249 1.00 65.40 C ATOM 767 C LEU A 56 -5.146 -5.925 -1.429 1.00 23.32 C ATOM 768 O LEU A 56 -4.202 -6.596 -1.830 1.00 55.14 O ATOM 769 CB LEU A 56 -7.170 -7.206 -2.172 1.00 43.33 C ATOM 770 CG LEU A 56 -8.379 -7.364 -3.112 1.00 13.12 C ATOM 771 CD1 LEU A 56 -8.977 -8.765 -2.995 1.00 11.54 C ATOM 772 CD2 LEU A 56 -9.436 -6.302 -2.823 1.00 63.41 C ATOM 0 H LEU A 56 -6.109 -6.327 -4.269 1.00 31.21 H new ATOM 0 HA LEU A 56 -7.088 -5.083 -1.850 1.00 65.40 H new ATOM 0 HB2 LEU A 56 -6.458 -8.001 -2.391 1.00 43.33 H new ATOM 0 HB3 LEU A 56 -7.509 -7.355 -1.147 1.00 43.33 H new ATOM 0 HG LEU A 56 -8.030 -7.226 -4.135 1.00 13.12 H new ATOM 0 HD11 LEU A 56 -9.830 -8.854 -3.668 1.00 11.54 H new ATOM 0 HD12 LEU A 56 -8.224 -9.506 -3.264 1.00 11.54 H new ATOM 0 HD13 LEU A 56 -9.305 -8.936 -1.970 1.00 11.54 H new ATOM 0 HD21 LEU A 56 -10.280 -6.435 -3.500 1.00 63.41 H new ATOM 0 HD22 LEU A 56 -9.778 -6.400 -1.793 1.00 63.41 H new ATOM 0 HD23 LEU A 56 -9.006 -5.311 -2.969 1.00 63.41 H new ATOM 784 N ILE A 57 -5.091 -5.221 -0.303 1.00 10.13 N ATOM 785 CA ILE A 57 -3.892 -5.220 0.539 1.00 64.44 C ATOM 786 C ILE A 57 -4.272 -5.236 2.020 1.00 31.05 C ATOM 787 O ILE A 57 -4.913 -4.306 2.519 1.00 50.43 O ATOM 788 CB ILE A 57 -2.986 -3.985 0.263 1.00 52.44 C ATOM 789 CG1 ILE A 57 -2.665 -3.855 -1.240 1.00 22.01 C ATOM 790 CG2 ILE A 57 -1.688 -4.083 1.074 1.00 43.00 C ATOM 791 CD1 ILE A 57 -1.791 -2.667 -1.583 1.00 3.31 C ATOM 0 H ILE A 57 -5.856 -4.646 0.049 1.00 10.13 H new ATOM 0 HA ILE A 57 -3.333 -6.122 0.289 1.00 64.44 H new ATOM 0 HB ILE A 57 -3.531 -3.093 0.573 1.00 52.44 H new ATOM 0 HG12 ILE A 57 -2.170 -4.766 -1.575 1.00 22.01 H new ATOM 0 HG13 ILE A 57 -3.600 -3.778 -1.795 1.00 22.01 H new ATOM 0 HG21 ILE A 57 -1.065 -3.212 0.870 1.00 43.00 H new ATOM 0 HG22 ILE A 57 -1.925 -4.119 2.137 1.00 43.00 H new ATOM 0 HG23 ILE A 57 -1.150 -4.988 0.792 1.00 43.00 H new ATOM 0 HD11 ILE A 57 -1.611 -2.646 -2.658 1.00 3.31 H new ATOM 0 HD12 ILE A 57 -2.292 -1.747 -1.281 1.00 3.31 H new ATOM 0 HD13 ILE A 57 -0.840 -2.751 -1.058 1.00 3.31 H new ATOM 803 N ASP A 58 -3.892 -6.305 2.710 1.00 43.01 N ATOM 804 CA ASP A 58 -4.089 -6.408 4.155 1.00 54.12 C ATOM 805 C ASP A 58 -2.909 -5.764 4.884 1.00 25.35 C ATOM 806 O ASP A 58 -1.755 -6.144 4.672 1.00 32.12 O ATOM 807 CB ASP A 58 -4.255 -7.883 4.573 1.00 33.43 C ATOM 808 CG ASP A 58 -5.597 -8.466 4.130 1.00 75.21 C ATOM 809 OD1 ASP A 58 -5.661 -9.128 3.073 1.00 61.24 O ATOM 810 OD2 ASP A 58 -6.604 -8.245 4.830 1.00 71.11 O ATOM 0 H ASP A 58 -3.443 -7.119 2.291 1.00 43.01 H new ATOM 0 HA ASP A 58 -5.001 -5.877 4.430 1.00 54.12 H new ATOM 0 HB2 ASP A 58 -3.446 -8.473 4.143 1.00 33.43 H new ATOM 0 HB3 ASP A 58 -4.167 -7.963 5.656 1.00 33.43 H new ATOM 815 N MET A 59 -3.195 -4.776 5.735 1.00 72.34 N ATOM 816 CA MET A 59 -2.149 -3.995 6.397 1.00 31.31 C ATOM 817 C MET A 59 -2.448 -3.793 7.880 1.00 41.14 C ATOM 818 O MET A 59 -3.541 -4.100 8.363 1.00 72.22 O ATOM 819 CB MET A 59 -1.982 -2.622 5.722 1.00 70.30 C ATOM 820 CG MET A 59 -1.500 -2.689 4.279 1.00 32.23 C ATOM 821 SD MET A 59 -1.279 -1.056 3.539 1.00 65.50 S ATOM 822 CE MET A 59 -0.015 -0.361 4.603 1.00 63.03 C ATOM 0 H MET A 59 -4.145 -4.498 5.982 1.00 72.34 H new ATOM 0 HA MET A 59 -1.223 -4.562 6.304 1.00 31.31 H new ATOM 0 HB2 MET A 59 -2.937 -2.098 5.750 1.00 70.30 H new ATOM 0 HB3 MET A 59 -1.275 -2.028 6.302 1.00 70.30 H new ATOM 0 HG2 MET A 59 -0.555 -3.231 4.241 1.00 32.23 H new ATOM 0 HG3 MET A 59 -2.217 -3.257 3.687 1.00 32.23 H new ATOM 0 HE1 MET A 59 0.489 0.455 4.085 1.00 63.03 H new ATOM 0 HE2 MET A 59 -0.475 0.018 5.515 1.00 63.03 H new ATOM 0 HE3 MET A 59 0.712 -1.133 4.857 1.00 63.03 H new ATOM 832 N THR A 60 -1.456 -3.266 8.588 1.00 63.30 N ATOM 833 CA THR A 60 -1.574 -2.956 10.001 1.00 1.35 C ATOM 834 C THR A 60 -0.469 -1.980 10.400 1.00 52.10 C ATOM 835 O THR A 60 0.605 -1.972 9.792 1.00 65.44 O ATOM 836 CB THR A 60 -1.479 -4.233 10.879 1.00 4.42 C ATOM 837 OG1 THR A 60 -1.713 -3.909 12.259 1.00 43.20 O ATOM 838 CG2 THR A 60 -0.111 -4.902 10.740 1.00 31.52 C ATOM 0 H THR A 60 -0.543 -3.042 8.192 1.00 63.30 H new ATOM 0 HA THR A 60 -2.553 -2.507 10.167 1.00 1.35 H new ATOM 0 HB THR A 60 -2.243 -4.929 10.532 1.00 4.42 H new ATOM 0 HG1 THR A 60 -2.668 -4.001 12.459 1.00 43.20 H new ATOM 0 HG21 THR A 60 -0.076 -5.793 11.367 1.00 31.52 H new ATOM 0 HG22 THR A 60 0.052 -5.184 9.700 1.00 31.52 H new ATOM 0 HG23 THR A 60 0.668 -4.207 11.054 1.00 31.52 H new ATOM 846 N LEU A 61 -0.740 -1.144 11.392 1.00 61.41 N ATOM 847 CA LEU A 61 0.272 -0.243 11.933 1.00 51.21 C ATOM 848 C LEU A 61 0.887 -0.885 13.175 1.00 50.14 C ATOM 849 O LEU A 61 0.204 -1.615 13.890 1.00 52.43 O ATOM 850 CB LEU A 61 -0.332 1.135 12.266 1.00 51.33 C ATOM 851 CG LEU A 61 -0.805 1.982 11.057 1.00 34.12 C ATOM 852 CD1 LEU A 61 0.308 2.123 10.017 1.00 73.32 C ATOM 853 CD2 LEU A 61 -2.072 1.401 10.422 1.00 64.25 C ATOM 0 H LEU A 61 -1.653 -1.070 11.840 1.00 61.41 H new ATOM 0 HA LEU A 61 1.048 -0.080 11.185 1.00 51.21 H new ATOM 0 HB2 LEU A 61 -1.181 0.985 12.933 1.00 51.33 H new ATOM 0 HB3 LEU A 61 0.410 1.711 12.819 1.00 51.33 H new ATOM 0 HG LEU A 61 -1.050 2.976 11.432 1.00 34.12 H new ATOM 0 HD11 LEU A 61 -0.050 2.722 9.179 1.00 73.32 H new ATOM 0 HD12 LEU A 61 1.170 2.613 10.470 1.00 73.32 H new ATOM 0 HD13 LEU A 61 0.599 1.135 9.659 1.00 73.32 H new ATOM 0 HD21 LEU A 61 -2.373 2.021 9.578 1.00 64.25 H new ATOM 0 HD22 LEU A 61 -1.873 0.387 10.074 1.00 64.25 H new ATOM 0 HD23 LEU A 61 -2.873 1.380 11.161 1.00 64.25 H new ATOM 865 N THR A 62 2.164 -0.607 13.429 1.00 2.24 N ATOM 866 CA THR A 62 2.917 -1.273 14.500 1.00 43.41 C ATOM 867 C THR A 62 2.147 -1.300 15.833 1.00 32.42 C ATOM 868 O THR A 62 2.018 -2.354 16.462 1.00 4.21 O ATOM 869 CB THR A 62 4.310 -0.614 14.706 1.00 34.04 C ATOM 870 OG1 THR A 62 5.006 -1.236 15.793 1.00 1.24 O ATOM 871 CG2 THR A 62 4.187 0.885 14.968 1.00 41.02 C ATOM 0 H THR A 62 2.706 0.080 12.905 1.00 2.24 H new ATOM 0 HA THR A 62 3.057 -2.305 14.177 1.00 43.41 H new ATOM 0 HB THR A 62 4.876 -0.757 13.786 1.00 34.04 H new ATOM 0 HG1 THR A 62 5.881 -0.810 15.908 1.00 1.24 H new ATOM 0 HG21 THR A 62 5.180 1.313 15.107 1.00 41.02 H new ATOM 0 HG22 THR A 62 3.701 1.364 14.118 1.00 41.02 H new ATOM 0 HG23 THR A 62 3.592 1.050 15.866 1.00 41.02 H new ATOM 879 N SER A 63 1.613 -0.152 16.244 1.00 21.24 N ATOM 880 CA SER A 63 0.894 -0.045 17.513 1.00 24.43 C ATOM 881 C SER A 63 -0.584 -0.414 17.331 1.00 73.20 C ATOM 882 O SER A 63 -1.316 -0.591 18.306 1.00 10.13 O ATOM 883 CB SER A 63 1.028 1.382 18.069 1.00 53.42 C ATOM 884 OG SER A 63 0.455 1.496 19.359 1.00 50.22 O ATOM 0 H SER A 63 1.664 0.719 15.716 1.00 21.24 H new ATOM 0 HA SER A 63 1.332 -0.745 18.225 1.00 24.43 H new ATOM 0 HB2 SER A 63 2.081 1.658 18.113 1.00 53.42 H new ATOM 0 HB3 SER A 63 0.542 2.084 17.391 1.00 53.42 H new ATOM 0 HG SER A 63 -0.305 0.881 19.435 1.00 50.22 H new ATOM 890 N ALA A 64 -1.007 -0.510 16.068 1.00 61.23 N ATOM 891 CA ALA A 64 -2.405 -0.784 15.703 1.00 51.25 C ATOM 892 C ALA A 64 -3.360 0.285 16.245 1.00 73.03 C ATOM 893 O ALA A 64 -4.577 0.151 16.143 1.00 32.45 O ATOM 894 CB ALA A 64 -2.822 -2.173 16.181 1.00 41.44 C ATOM 0 H ALA A 64 -0.389 -0.400 15.264 1.00 61.23 H new ATOM 0 HA ALA A 64 -2.470 -0.753 14.615 1.00 51.25 H new ATOM 0 HB1 ALA A 64 -3.859 -2.358 15.902 1.00 41.44 H new ATOM 0 HB2 ALA A 64 -2.182 -2.924 15.718 1.00 41.44 H new ATOM 0 HB3 ALA A 64 -2.722 -2.230 17.265 1.00 41.44 H new ATOM 900 N ALA A 65 -2.795 1.358 16.793 1.00 33.11 N ATOM 901 CA ALA A 65 -3.578 2.480 17.308 1.00 74.14 C ATOM 902 C ALA A 65 -3.205 3.763 16.573 1.00 34.13 C ATOM 903 O ALA A 65 -3.700 4.846 16.888 1.00 73.22 O ATOM 904 CB ALA A 65 -3.355 2.632 18.809 1.00 75.22 C ATOM 0 H ALA A 65 -1.787 1.475 16.893 1.00 33.11 H new ATOM 0 HA ALA A 65 -4.636 2.282 17.137 1.00 74.14 H new ATOM 0 HB1 ALA A 65 -3.943 3.471 19.181 1.00 75.22 H new ATOM 0 HB2 ALA A 65 -3.664 1.718 19.317 1.00 75.22 H new ATOM 0 HB3 ALA A 65 -2.298 2.816 19.003 1.00 75.22 H new ATOM 910 N CYS A 66 -2.332 3.621 15.583 1.00 31.32 N ATOM 911 CA CYS A 66 -1.806 4.758 14.840 1.00 72.43 C ATOM 912 C CYS A 66 -2.799 5.207 13.766 1.00 74.52 C ATOM 913 O CYS A 66 -3.223 4.399 12.933 1.00 3.01 O ATOM 914 CB CYS A 66 -0.473 4.374 14.194 1.00 50.00 C ATOM 915 SG CYS A 66 0.692 3.591 15.334 1.00 54.44 S ATOM 0 H CYS A 66 -1.971 2.719 15.274 1.00 31.32 H new ATOM 0 HA CYS A 66 -1.650 5.587 15.530 1.00 72.43 H new ATOM 0 HB2 CYS A 66 -0.665 3.696 13.363 1.00 50.00 H new ATOM 0 HB3 CYS A 66 -0.012 5.269 13.775 1.00 50.00 H new ATOM 0 HG CYS A 66 1.789 3.299 14.701 1.00 54.44 H new ATOM 921 N PRO A 67 -3.165 6.503 13.749 1.00 32.12 N ATOM 922 CA PRO A 67 -4.121 7.053 12.776 1.00 11.42 C ATOM 923 C PRO A 67 -3.485 7.280 11.397 1.00 61.34 C ATOM 924 O PRO A 67 -3.890 8.171 10.649 1.00 65.03 O ATOM 925 CB PRO A 67 -4.525 8.383 13.420 1.00 51.44 C ATOM 926 CG PRO A 67 -3.313 8.810 14.175 1.00 11.44 C ATOM 927 CD PRO A 67 -2.680 7.541 14.689 1.00 13.13 C ATOM 0 HA PRO A 67 -4.958 6.382 12.584 1.00 11.42 H new ATOM 0 HB2 PRO A 67 -4.805 9.120 12.668 1.00 51.44 H new ATOM 0 HB3 PRO A 67 -5.383 8.260 14.081 1.00 51.44 H new ATOM 0 HG2 PRO A 67 -2.624 9.358 13.532 1.00 11.44 H new ATOM 0 HG3 PRO A 67 -3.578 9.475 14.997 1.00 11.44 H new ATOM 0 HD2 PRO A 67 -1.592 7.607 14.687 1.00 13.13 H new ATOM 0 HD3 PRO A 67 -2.985 7.328 15.714 1.00 13.13 H new ATOM 935 N LEU A 68 -2.521 6.430 11.051 1.00 74.02 N ATOM 936 CA LEU A 68 -1.775 6.565 9.802 1.00 65.52 C ATOM 937 C LEU A 68 -2.545 5.942 8.641 1.00 20.31 C ATOM 938 O LEU A 68 -2.032 5.847 7.525 1.00 61.45 O ATOM 939 CB LEU A 68 -0.396 5.902 9.937 1.00 20.34 C ATOM 940 CG LEU A 68 0.493 6.457 11.063 1.00 32.43 C ATOM 941 CD1 LEU A 68 1.828 5.717 11.115 1.00 12.02 C ATOM 942 CD2 LEU A 68 0.710 7.960 10.893 1.00 14.24 C ATOM 0 H LEU A 68 -2.237 5.635 11.623 1.00 74.02 H new ATOM 0 HA LEU A 68 -1.641 7.627 9.595 1.00 65.52 H new ATOM 0 HB2 LEU A 68 -0.539 4.834 10.103 1.00 20.34 H new ATOM 0 HB3 LEU A 68 0.135 6.010 8.991 1.00 20.34 H new ATOM 0 HG LEU A 68 -0.020 6.295 12.011 1.00 32.43 H new ATOM 0 HD11 LEU A 68 2.440 6.127 11.919 1.00 12.02 H new ATOM 0 HD12 LEU A 68 1.650 4.657 11.298 1.00 12.02 H new ATOM 0 HD13 LEU A 68 2.348 5.838 10.165 1.00 12.02 H new ATOM 0 HD21 LEU A 68 1.341 8.330 11.701 1.00 14.24 H new ATOM 0 HD22 LEU A 68 1.195 8.152 9.936 1.00 14.24 H new ATOM 0 HD23 LEU A 68 -0.252 8.472 10.921 1.00 14.24 H new ATOM 954 N THR A 69 -3.778 5.523 8.917 1.00 63.44 N ATOM 955 CA THR A 69 -4.626 4.895 7.912 1.00 63.21 C ATOM 956 C THR A 69 -4.809 5.815 6.700 1.00 2.20 C ATOM 957 O THR A 69 -4.711 5.375 5.554 1.00 73.02 O ATOM 958 CB THR A 69 -6.002 4.499 8.507 1.00 10.43 C ATOM 959 OG1 THR A 69 -6.793 3.829 7.522 1.00 63.31 O ATOM 960 CG2 THR A 69 -6.758 5.716 9.037 1.00 10.11 C ATOM 0 H THR A 69 -4.213 5.609 9.836 1.00 63.44 H new ATOM 0 HA THR A 69 -4.127 3.984 7.580 1.00 63.21 H new ATOM 0 HB THR A 69 -5.817 3.826 9.344 1.00 10.43 H new ATOM 0 HG1 THR A 69 -6.469 2.911 7.411 1.00 63.31 H new ATOM 0 HG21 THR A 69 -7.717 5.399 9.446 1.00 10.11 H new ATOM 0 HG22 THR A 69 -6.171 6.197 9.820 1.00 10.11 H new ATOM 0 HG23 THR A 69 -6.926 6.422 8.224 1.00 10.11 H new ATOM 968 N ASP A 70 -5.029 7.102 6.964 1.00 13.52 N ATOM 969 CA ASP A 70 -5.185 8.094 5.900 1.00 41.11 C ATOM 970 C ASP A 70 -3.903 8.188 5.076 1.00 31.11 C ATOM 971 O ASP A 70 -3.934 8.259 3.846 1.00 30.02 O ATOM 972 CB ASP A 70 -5.523 9.464 6.506 1.00 22.24 C ATOM 973 CG ASP A 70 -5.695 10.551 5.456 1.00 73.42 C ATOM 974 OD1 ASP A 70 -6.829 10.733 4.962 1.00 75.03 O ATOM 975 OD2 ASP A 70 -4.707 11.246 5.134 1.00 52.30 O ATOM 0 H ASP A 70 -5.103 7.483 7.907 1.00 13.52 H new ATOM 0 HA ASP A 70 -6.000 7.784 5.246 1.00 41.11 H new ATOM 0 HB2 ASP A 70 -6.440 9.381 7.089 1.00 22.24 H new ATOM 0 HB3 ASP A 70 -4.731 9.755 7.197 1.00 22.24 H new ATOM 980 N VAL A 71 -2.776 8.156 5.777 1.00 11.31 N ATOM 981 CA VAL A 71 -1.464 8.277 5.149 1.00 70.11 C ATOM 982 C VAL A 71 -1.193 7.091 4.220 1.00 60.41 C ATOM 983 O VAL A 71 -0.759 7.270 3.080 1.00 23.25 O ATOM 984 CB VAL A 71 -0.340 8.374 6.215 1.00 51.25 C ATOM 985 CG1 VAL A 71 1.026 8.575 5.557 1.00 42.53 C ATOM 986 CG2 VAL A 71 -0.637 9.498 7.209 1.00 50.43 C ATOM 0 H VAL A 71 -2.744 8.046 6.791 1.00 11.31 H new ATOM 0 HA VAL A 71 -1.467 9.194 4.560 1.00 70.11 H new ATOM 0 HB VAL A 71 -0.310 7.432 6.763 1.00 51.25 H new ATOM 0 HG11 VAL A 71 1.795 8.640 6.327 1.00 42.53 H new ATOM 0 HG12 VAL A 71 1.241 7.732 4.900 1.00 42.53 H new ATOM 0 HG13 VAL A 71 1.017 9.496 4.975 1.00 42.53 H new ATOM 0 HG21 VAL A 71 0.162 9.550 7.948 1.00 50.43 H new ATOM 0 HG22 VAL A 71 -0.701 10.447 6.677 1.00 50.43 H new ATOM 0 HG23 VAL A 71 -1.584 9.299 7.711 1.00 50.43 H new ATOM 996 N ILE A 72 -1.465 5.876 4.700 1.00 25.31 N ATOM 997 CA ILE A 72 -1.216 4.677 3.907 1.00 43.42 C ATOM 998 C ILE A 72 -2.180 4.590 2.726 1.00 51.43 C ATOM 999 O ILE A 72 -1.788 4.175 1.635 1.00 44.03 O ATOM 1000 CB ILE A 72 -1.278 3.381 4.744 1.00 41.03 C ATOM 1001 CG1 ILE A 72 -2.679 3.154 5.316 1.00 24.33 C ATOM 1002 CG2 ILE A 72 -0.236 3.425 5.864 1.00 1.33 C ATOM 1003 CD1 ILE A 72 -2.797 1.865 6.086 1.00 20.53 C ATOM 0 H ILE A 72 -1.854 5.700 5.626 1.00 25.31 H new ATOM 0 HA ILE A 72 -0.197 4.767 3.529 1.00 43.42 H new ATOM 0 HB ILE A 72 -1.051 2.542 4.087 1.00 41.03 H new ATOM 0 HG12 ILE A 72 -2.938 3.987 5.970 1.00 24.33 H new ATOM 0 HG13 ILE A 72 -3.403 3.152 4.501 1.00 24.33 H new ATOM 0 HG21 ILE A 72 -0.290 2.506 6.447 1.00 1.33 H new ATOM 0 HG22 ILE A 72 0.760 3.523 5.431 1.00 1.33 H new ATOM 0 HG23 ILE A 72 -0.435 4.278 6.513 1.00 1.33 H new ATOM 0 HD11 ILE A 72 -3.813 1.760 6.467 1.00 20.53 H new ATOM 0 HD12 ILE A 72 -2.568 1.026 5.429 1.00 20.53 H new ATOM 0 HD13 ILE A 72 -2.096 1.874 6.921 1.00 20.53 H new ATOM 1015 N GLU A 73 -3.436 4.991 2.941 1.00 74.22 N ATOM 1016 CA GLU A 73 -4.416 5.052 1.849 1.00 32.53 C ATOM 1017 C GLU A 73 -3.934 5.987 0.744 1.00 71.41 C ATOM 1018 O GLU A 73 -3.930 5.623 -0.436 1.00 2.41 O ATOM 1019 CB GLU A 73 -5.799 5.505 2.354 1.00 20.33 C ATOM 1020 CG GLU A 73 -6.623 4.387 2.987 1.00 54.41 C ATOM 1021 CD GLU A 73 -8.026 4.835 3.404 1.00 4.24 C ATOM 1022 OE1 GLU A 73 -8.146 5.599 4.388 1.00 60.22 O ATOM 1023 OE2 GLU A 73 -9.014 4.412 2.760 1.00 20.00 O ATOM 0 H GLU A 73 -3.797 5.276 3.851 1.00 74.22 H new ATOM 0 HA GLU A 73 -4.515 4.045 1.445 1.00 32.53 H new ATOM 0 HB2 GLU A 73 -5.665 6.302 3.085 1.00 20.33 H new ATOM 0 HB3 GLU A 73 -6.359 5.928 1.520 1.00 20.33 H new ATOM 0 HG2 GLU A 73 -6.707 3.561 2.280 1.00 54.41 H new ATOM 0 HG3 GLU A 73 -6.095 4.006 3.861 1.00 54.41 H new ATOM 1030 N ASP A 74 -3.518 7.189 1.131 1.00 74.43 N ATOM 1031 CA ASP A 74 -3.052 8.178 0.164 1.00 41.32 C ATOM 1032 C ASP A 74 -1.819 7.678 -0.583 1.00 72.11 C ATOM 1033 O ASP A 74 -1.795 7.670 -1.809 1.00 61.15 O ATOM 1034 CB ASP A 74 -2.731 9.509 0.853 1.00 74.53 C ATOM 1035 CG ASP A 74 -2.118 10.520 -0.108 1.00 2.40 C ATOM 1036 OD1 ASP A 74 -0.877 10.679 -0.108 1.00 32.40 O ATOM 1037 OD2 ASP A 74 -2.873 11.144 -0.886 1.00 10.34 O ATOM 0 H ASP A 74 -3.494 7.501 2.102 1.00 74.43 H new ATOM 0 HA ASP A 74 -3.857 8.336 -0.554 1.00 41.32 H new ATOM 0 HB2 ASP A 74 -3.643 9.924 1.281 1.00 74.53 H new ATOM 0 HB3 ASP A 74 -2.043 9.332 1.679 1.00 74.53 H new ATOM 1042 N GLN A 75 -0.817 7.229 0.164 1.00 14.30 N ATOM 1043 CA GLN A 75 0.458 6.808 -0.420 1.00 31.45 C ATOM 1044 C GLN A 75 0.288 5.604 -1.349 1.00 2.15 C ATOM 1045 O GLN A 75 0.927 5.532 -2.402 1.00 32.11 O ATOM 1046 CB GLN A 75 1.476 6.510 0.690 1.00 64.20 C ATOM 1047 CG GLN A 75 1.926 7.767 1.430 1.00 51.31 C ATOM 1048 CD GLN A 75 2.809 7.492 2.638 1.00 33.40 C ATOM 1049 OE1 GLN A 75 3.670 8.302 2.989 1.00 1.33 O ATOM 1050 NE2 GLN A 75 2.590 6.365 3.301 1.00 71.04 N ATOM 0 H GLN A 75 -0.860 7.146 1.180 1.00 14.30 H new ATOM 0 HA GLN A 75 0.836 7.629 -1.029 1.00 31.45 H new ATOM 0 HB2 GLN A 75 1.037 5.812 1.402 1.00 64.20 H new ATOM 0 HB3 GLN A 75 2.346 6.017 0.256 1.00 64.20 H new ATOM 0 HG2 GLN A 75 2.467 8.410 0.736 1.00 51.31 H new ATOM 0 HG3 GLN A 75 1.045 8.320 1.755 1.00 51.31 H new ATOM 0 HE21 GLN A 75 1.869 5.718 2.982 1.00 71.04 H new ATOM 0 HE22 GLN A 75 3.142 6.145 4.130 1.00 71.04 H new ATOM 1059 N SER A 76 -0.579 4.668 -0.972 1.00 61.44 N ATOM 1060 CA SER A 76 -0.843 3.502 -1.808 1.00 21.44 C ATOM 1061 C SER A 76 -1.549 3.932 -3.092 1.00 25.23 C ATOM 1062 O SER A 76 -1.073 3.661 -4.201 1.00 51.14 O ATOM 1063 CB SER A 76 -1.689 2.474 -1.046 1.00 61.00 C ATOM 1064 OG SER A 76 -2.898 3.050 -0.584 1.00 10.40 O ATOM 0 H SER A 76 -1.107 4.694 -0.100 1.00 61.44 H new ATOM 0 HA SER A 76 0.106 3.034 -2.069 1.00 21.44 H new ATOM 0 HB2 SER A 76 -1.911 1.628 -1.696 1.00 61.00 H new ATOM 0 HB3 SER A 76 -1.121 2.086 -0.200 1.00 61.00 H new ATOM 0 HG SER A 76 -2.735 3.519 0.261 1.00 10.40 H new ATOM 1070 N ARG A 77 -2.672 4.634 -2.934 1.00 71.41 N ATOM 1071 CA ARG A 77 -3.432 5.135 -4.075 1.00 13.12 C ATOM 1072 C ARG A 77 -2.545 5.976 -4.996 1.00 33.12 C ATOM 1073 O ARG A 77 -2.615 5.851 -6.221 1.00 11.11 O ATOM 1074 CB ARG A 77 -4.648 5.951 -3.589 1.00 64.21 C ATOM 1075 CG ARG A 77 -5.507 6.551 -4.709 1.00 20.32 C ATOM 1076 CD ARG A 77 -5.117 7.994 -5.036 1.00 71.43 C ATOM 1077 NE ARG A 77 -5.500 8.921 -3.965 1.00 11.13 N ATOM 1078 CZ ARG A 77 -4.643 9.636 -3.232 1.00 50.24 C ATOM 1079 NH1 ARG A 77 -3.333 9.539 -3.432 1.00 54.25 N ATOM 1080 NH2 ARG A 77 -5.097 10.450 -2.290 1.00 12.12 N ATOM 0 H ARG A 77 -3.074 4.867 -2.026 1.00 71.41 H new ATOM 0 HA ARG A 77 -3.794 4.282 -4.649 1.00 13.12 H new ATOM 0 HB2 ARG A 77 -5.276 5.308 -2.972 1.00 64.21 H new ATOM 0 HB3 ARG A 77 -4.294 6.759 -2.949 1.00 64.21 H new ATOM 0 HG2 ARG A 77 -5.409 5.939 -5.606 1.00 20.32 H new ATOM 0 HG3 ARG A 77 -6.556 6.519 -4.415 1.00 20.32 H new ATOM 0 HD2 ARG A 77 -4.041 8.051 -5.198 1.00 71.43 H new ATOM 0 HD3 ARG A 77 -5.596 8.297 -5.967 1.00 71.43 H new ATOM 0 HE ARG A 77 -6.495 9.027 -3.766 1.00 11.13 H new ATOM 0 HH11 ARG A 77 -2.972 8.913 -4.152 1.00 54.25 H new ATOM 0 HH12 ARG A 77 -2.688 10.090 -2.866 1.00 54.25 H new ATOM 0 HH21 ARG A 77 -6.100 10.530 -2.125 1.00 12.12 H new ATOM 0 HH22 ARG A 77 -4.443 10.997 -1.730 1.00 12.12 H new ATOM 1094 N SER A 78 -1.698 6.809 -4.398 1.00 44.00 N ATOM 1095 CA SER A 78 -0.835 7.714 -5.152 1.00 33.54 C ATOM 1096 C SER A 78 0.016 6.963 -6.178 1.00 32.21 C ATOM 1097 O SER A 78 0.006 7.301 -7.365 1.00 44.54 O ATOM 1098 CB SER A 78 0.064 8.517 -4.199 1.00 30.42 C ATOM 1099 OG SER A 78 -0.707 9.382 -3.378 1.00 51.41 O ATOM 0 H SER A 78 -1.590 6.876 -3.386 1.00 44.00 H new ATOM 0 HA SER A 78 -1.480 8.403 -5.698 1.00 33.54 H new ATOM 0 HB2 SER A 78 0.639 7.834 -3.574 1.00 30.42 H new ATOM 0 HB3 SER A 78 0.781 9.101 -4.776 1.00 30.42 H new ATOM 0 HG SER A 78 -0.918 8.930 -2.534 1.00 51.41 H new ATOM 1105 N ALA A 79 0.742 5.941 -5.732 1.00 53.32 N ATOM 1106 CA ALA A 79 1.625 5.206 -6.633 1.00 34.01 C ATOM 1107 C ALA A 79 0.829 4.288 -7.561 1.00 74.03 C ATOM 1108 O ALA A 79 0.928 4.398 -8.788 1.00 11.23 O ATOM 1109 CB ALA A 79 2.642 4.398 -5.828 1.00 73.23 C ATOM 0 H ALA A 79 0.738 5.607 -4.768 1.00 53.32 H new ATOM 0 HA ALA A 79 2.156 5.928 -7.253 1.00 34.01 H new ATOM 0 HB1 ALA A 79 3.296 3.854 -6.510 1.00 73.23 H new ATOM 0 HB2 ALA A 79 3.239 5.073 -5.214 1.00 73.23 H new ATOM 0 HB3 ALA A 79 2.118 3.691 -5.185 1.00 73.23 H new ATOM 1115 N LEU A 80 -0.047 3.469 -6.972 1.00 71.21 N ATOM 1116 CA LEU A 80 -0.770 2.436 -7.727 1.00 32.42 C ATOM 1117 C LEU A 80 -1.592 3.044 -8.862 1.00 15.24 C ATOM 1118 O LEU A 80 -1.689 2.474 -9.956 1.00 33.34 O ATOM 1119 CB LEU A 80 -1.667 1.609 -6.789 1.00 20.00 C ATOM 1120 CG LEU A 80 -0.964 0.460 -6.032 1.00 20.25 C ATOM 1121 CD1 LEU A 80 -0.406 -0.572 -7.012 1.00 32.32 C ATOM 1122 CD2 LEU A 80 0.147 0.986 -5.123 1.00 74.31 C ATOM 0 H LEU A 80 -0.274 3.499 -5.978 1.00 71.21 H new ATOM 0 HA LEU A 80 -0.030 1.773 -8.175 1.00 32.42 H new ATOM 0 HB2 LEU A 80 -2.114 2.282 -6.057 1.00 20.00 H new ATOM 0 HB3 LEU A 80 -2.484 1.187 -7.375 1.00 20.00 H new ATOM 0 HG LEU A 80 -1.711 -0.024 -5.403 1.00 20.25 H new ATOM 0 HD11 LEU A 80 0.085 -1.372 -6.458 1.00 32.32 H new ATOM 0 HD12 LEU A 80 -1.220 -0.988 -7.605 1.00 32.32 H new ATOM 0 HD13 LEU A 80 0.316 -0.093 -7.673 1.00 32.32 H new ATOM 0 HD21 LEU A 80 0.620 0.151 -4.606 1.00 74.31 H new ATOM 0 HD22 LEU A 80 0.891 1.510 -5.723 1.00 74.31 H new ATOM 0 HD23 LEU A 80 -0.277 1.673 -4.391 1.00 74.31 H new ATOM 1134 N VAL A 81 -2.178 4.203 -8.597 1.00 33.42 N ATOM 1135 CA VAL A 81 -2.918 4.944 -9.607 1.00 10.53 C ATOM 1136 C VAL A 81 -1.957 5.763 -10.471 1.00 3.53 C ATOM 1137 O VAL A 81 -2.238 6.029 -11.640 1.00 63.32 O ATOM 1138 CB VAL A 81 -3.992 5.866 -8.975 1.00 44.11 C ATOM 1139 CG1 VAL A 81 -4.737 6.661 -10.048 1.00 43.12 C ATOM 1140 CG2 VAL A 81 -4.970 5.045 -8.133 1.00 41.24 C ATOM 0 H VAL A 81 -2.154 4.653 -7.682 1.00 33.42 H new ATOM 0 HA VAL A 81 -3.436 4.219 -10.234 1.00 10.53 H new ATOM 0 HB VAL A 81 -3.486 6.579 -8.324 1.00 44.11 H new ATOM 0 HG11 VAL A 81 -5.484 7.299 -9.575 1.00 43.12 H new ATOM 0 HG12 VAL A 81 -4.029 7.279 -10.600 1.00 43.12 H new ATOM 0 HG13 VAL A 81 -5.230 5.973 -10.734 1.00 43.12 H new ATOM 0 HG21 VAL A 81 -5.718 5.706 -7.696 1.00 41.24 H new ATOM 0 HG22 VAL A 81 -5.463 4.307 -8.765 1.00 41.24 H new ATOM 0 HG23 VAL A 81 -4.426 4.536 -7.337 1.00 41.24 H new ATOM 1150 N GLY A 82 -0.811 6.137 -9.892 1.00 0.01 N ATOM 1151 CA GLY A 82 0.113 7.043 -10.559 1.00 11.13 C ATOM 1152 C GLY A 82 0.600 6.500 -11.888 1.00 22.14 C ATOM 1153 O GLY A 82 0.608 7.211 -12.895 1.00 34.22 O ATOM 0 H GLY A 82 -0.508 5.826 -8.969 1.00 0.01 H new ATOM 0 HA2 GLY A 82 -0.377 8.003 -10.720 1.00 11.13 H new ATOM 0 HA3 GLY A 82 0.969 7.227 -9.910 1.00 11.13 H new ATOM 1157 N SER A 83 1.014 5.238 -11.896 1.00 51.14 N ATOM 1158 CA SER A 83 1.432 4.579 -13.130 1.00 44.10 C ATOM 1159 C SER A 83 0.229 3.949 -13.835 1.00 23.34 C ATOM 1160 O SER A 83 0.345 3.434 -14.947 1.00 34.03 O ATOM 1161 CB SER A 83 2.497 3.522 -12.828 1.00 55.14 C ATOM 1162 OG SER A 83 3.629 4.114 -12.207 1.00 63.32 O ATOM 0 H SER A 83 1.070 4.651 -11.064 1.00 51.14 H new ATOM 0 HA SER A 83 1.864 5.325 -13.797 1.00 44.10 H new ATOM 0 HB2 SER A 83 2.080 2.753 -12.178 1.00 55.14 H new ATOM 0 HB3 SER A 83 2.799 3.028 -13.752 1.00 55.14 H new ATOM 0 HG SER A 83 3.883 3.588 -11.420 1.00 63.32 H new ATOM 1168 N GLY A 84 -0.929 4.010 -13.178 1.00 44.53 N ATOM 1169 CA GLY A 84 -2.151 3.472 -13.749 1.00 2.12 C ATOM 1170 C GLY A 84 -2.150 1.958 -13.819 1.00 64.03 C ATOM 1171 O GLY A 84 -2.754 1.373 -14.717 1.00 61.44 O ATOM 0 H GLY A 84 -1.041 4.426 -12.253 1.00 44.53 H new ATOM 0 HA2 GLY A 84 -3.001 3.803 -13.153 1.00 2.12 H new ATOM 0 HA3 GLY A 84 -2.287 3.877 -14.752 1.00 2.12 H new ATOM 1175 N LEU A 85 -1.476 1.319 -12.867 1.00 73.25 N ATOM 1176 CA LEU A 85 -1.401 -0.141 -12.836 1.00 1.34 C ATOM 1177 C LEU A 85 -2.743 -0.731 -12.421 1.00 41.41 C ATOM 1178 O LEU A 85 -3.170 -1.764 -12.939 1.00 43.40 O ATOM 1179 CB LEU A 85 -0.296 -0.615 -11.882 1.00 54.24 C ATOM 1180 CG LEU A 85 1.133 -0.193 -12.262 1.00 30.41 C ATOM 1181 CD1 LEU A 85 2.145 -0.794 -11.290 1.00 74.54 C ATOM 1182 CD2 LEU A 85 1.458 -0.598 -13.702 1.00 42.43 C ATOM 0 H LEU A 85 -0.976 1.785 -12.110 1.00 73.25 H new ATOM 0 HA LEU A 85 -1.157 -0.489 -13.840 1.00 1.34 H new ATOM 0 HB2 LEU A 85 -0.515 -0.236 -10.884 1.00 54.24 H new ATOM 0 HB3 LEU A 85 -0.332 -1.703 -11.825 1.00 54.24 H new ATOM 0 HG LEU A 85 1.196 0.893 -12.196 1.00 30.41 H new ATOM 0 HD11 LEU A 85 3.151 -0.485 -11.574 1.00 74.54 H new ATOM 0 HD12 LEU A 85 1.930 -0.446 -10.280 1.00 74.54 H new ATOM 0 HD13 LEU A 85 2.078 -1.881 -11.321 1.00 74.54 H new ATOM 0 HD21 LEU A 85 2.474 -0.288 -13.947 1.00 42.43 H new ATOM 0 HD22 LEU A 85 1.374 -1.680 -13.803 1.00 42.43 H new ATOM 0 HD23 LEU A 85 0.758 -0.114 -14.383 1.00 42.43 H new ATOM 1194 N VAL A 86 -3.405 -0.065 -11.480 1.00 4.30 N ATOM 1195 CA VAL A 86 -4.713 -0.497 -10.998 1.00 40.41 C ATOM 1196 C VAL A 86 -5.702 0.664 -11.057 1.00 53.12 C ATOM 1197 O VAL A 86 -5.302 1.832 -11.104 1.00 25.13 O ATOM 1198 CB VAL A 86 -4.645 -1.045 -9.545 1.00 44.43 C ATOM 1199 CG1 VAL A 86 -3.643 -2.194 -9.435 1.00 12.03 C ATOM 1200 CG2 VAL A 86 -4.308 0.069 -8.555 1.00 5.45 C ATOM 0 H VAL A 86 -3.054 0.782 -11.033 1.00 4.30 H new ATOM 0 HA VAL A 86 -5.048 -1.305 -11.648 1.00 40.41 H new ATOM 0 HB VAL A 86 -5.630 -1.436 -9.291 1.00 44.43 H new ATOM 0 HG11 VAL A 86 -3.617 -2.557 -8.408 1.00 12.03 H new ATOM 0 HG12 VAL A 86 -3.944 -3.004 -10.099 1.00 12.03 H new ATOM 0 HG13 VAL A 86 -2.652 -1.841 -9.720 1.00 12.03 H new ATOM 0 HG21 VAL A 86 -4.267 -0.341 -7.546 1.00 5.45 H new ATOM 0 HG22 VAL A 86 -3.341 0.503 -8.810 1.00 5.45 H new ATOM 0 HG23 VAL A 86 -5.076 0.841 -8.601 1.00 5.45 H new ATOM 1210 N ASP A 87 -6.987 0.339 -11.060 1.00 4.10 N ATOM 1211 CA ASP A 87 -8.042 1.351 -11.091 1.00 51.35 C ATOM 1212 C ASP A 87 -8.347 1.847 -9.683 1.00 44.04 C ATOM 1213 O ASP A 87 -8.726 3.007 -9.494 1.00 24.54 O ATOM 1214 CB ASP A 87 -9.325 0.789 -11.721 1.00 31.24 C ATOM 1215 CG ASP A 87 -9.157 0.409 -13.184 1.00 63.24 C ATOM 1216 OD1 ASP A 87 -8.556 -0.646 -13.460 1.00 74.45 O ATOM 1217 OD2 ASP A 87 -9.650 1.149 -14.064 1.00 54.02 O ATOM 0 H ASP A 87 -7.329 -0.622 -11.041 1.00 4.10 H new ATOM 0 HA ASP A 87 -7.685 2.183 -11.699 1.00 51.35 H new ATOM 0 HB2 ASP A 87 -9.644 -0.089 -11.159 1.00 31.24 H new ATOM 0 HB3 ASP A 87 -10.120 1.530 -11.634 1.00 31.24 H new ATOM 1222 N ASP A 88 -8.176 0.965 -8.698 1.00 53.31 N ATOM 1223 CA ASP A 88 -8.509 1.290 -7.309 1.00 75.13 C ATOM 1224 C ASP A 88 -7.744 0.367 -6.353 1.00 33.15 C ATOM 1225 O ASP A 88 -7.192 -0.658 -6.776 1.00 43.14 O ATOM 1226 CB ASP A 88 -10.029 1.149 -7.091 1.00 53.44 C ATOM 1227 CG ASP A 88 -10.573 2.071 -6.007 1.00 54.23 C ATOM 1228 OD1 ASP A 88 -10.267 1.851 -4.821 1.00 0.14 O ATOM 1229 OD2 ASP A 88 -11.334 3.008 -6.340 1.00 43.12 O ATOM 0 H ASP A 88 -7.810 0.023 -8.834 1.00 53.31 H new ATOM 0 HA ASP A 88 -8.217 2.320 -7.103 1.00 75.13 H new ATOM 0 HB2 ASP A 88 -10.544 1.359 -8.028 1.00 53.44 H new ATOM 0 HB3 ASP A 88 -10.256 0.116 -6.827 1.00 53.44 H new ATOM 1234 N ILE A 89 -7.712 0.721 -5.069 1.00 54.32 N ATOM 1235 CA ILE A 89 -7.026 -0.088 -4.060 1.00 13.53 C ATOM 1236 C ILE A 89 -7.971 -0.371 -2.896 1.00 51.40 C ATOM 1237 O ILE A 89 -8.797 0.468 -2.532 1.00 74.34 O ATOM 1238 CB ILE A 89 -5.714 0.577 -3.523 1.00 51.11 C ATOM 1239 CG1 ILE A 89 -5.999 1.716 -2.513 1.00 20.32 C ATOM 1240 CG2 ILE A 89 -4.845 1.088 -4.677 1.00 61.33 C ATOM 1241 CD1 ILE A 89 -6.739 2.911 -3.081 1.00 75.15 C ATOM 0 H ILE A 89 -8.154 1.564 -4.702 1.00 54.32 H new ATOM 0 HA ILE A 89 -6.733 -1.017 -4.549 1.00 13.53 H new ATOM 0 HB ILE A 89 -5.166 -0.199 -2.988 1.00 51.11 H new ATOM 0 HG12 ILE A 89 -6.580 1.309 -1.685 1.00 20.32 H new ATOM 0 HG13 ILE A 89 -5.051 2.059 -2.099 1.00 20.32 H new ATOM 0 HG21 ILE A 89 -3.940 1.545 -4.276 1.00 61.33 H new ATOM 0 HG22 ILE A 89 -4.574 0.255 -5.325 1.00 61.33 H new ATOM 0 HG23 ILE A 89 -5.402 1.828 -5.252 1.00 61.33 H new ATOM 0 HD11 ILE A 89 -6.890 3.652 -2.296 1.00 75.15 H new ATOM 0 HD12 ILE A 89 -6.154 3.351 -3.888 1.00 75.15 H new ATOM 0 HD13 ILE A 89 -7.706 2.590 -3.468 1.00 75.15 H new ATOM 1253 N ARG A 90 -7.859 -1.555 -2.320 1.00 74.13 N ATOM 1254 CA ARG A 90 -8.730 -1.955 -1.228 1.00 1.12 C ATOM 1255 C ARG A 90 -7.879 -2.429 -0.056 1.00 63.05 C ATOM 1256 O ARG A 90 -7.310 -3.521 -0.093 1.00 62.13 O ATOM 1257 CB ARG A 90 -9.666 -3.076 -1.710 1.00 2.53 C ATOM 1258 CG ARG A 90 -11.009 -3.131 -0.995 1.00 10.41 C ATOM 1259 CD ARG A 90 -11.868 -1.910 -1.323 1.00 2.11 C ATOM 1260 NE ARG A 90 -12.248 -1.852 -2.742 1.00 34.40 N ATOM 1261 CZ ARG A 90 -12.103 -0.770 -3.514 1.00 55.10 C ATOM 1262 NH1 ARG A 90 -11.523 0.321 -3.030 1.00 64.43 N ATOM 1263 NH2 ARG A 90 -12.526 -0.786 -4.774 1.00 53.14 N ATOM 0 H ARG A 90 -7.172 -2.258 -2.591 1.00 74.13 H new ATOM 0 HA ARG A 90 -9.337 -1.110 -0.901 1.00 1.12 H new ATOM 0 HB2 ARG A 90 -9.843 -2.950 -2.778 1.00 2.53 H new ATOM 0 HB3 ARG A 90 -9.161 -4.033 -1.581 1.00 2.53 H new ATOM 0 HG2 ARG A 90 -11.539 -4.039 -1.284 1.00 10.41 H new ATOM 0 HG3 ARG A 90 -10.847 -3.185 0.082 1.00 10.41 H new ATOM 0 HD2 ARG A 90 -12.769 -1.929 -0.710 1.00 2.11 H new ATOM 0 HD3 ARG A 90 -11.322 -1.004 -1.059 1.00 2.11 H new ATOM 0 HE ARG A 90 -12.648 -2.690 -3.164 1.00 34.40 H new ATOM 0 HH11 ARG A 90 -11.187 0.335 -2.067 1.00 64.43 H new ATOM 0 HH12 ARG A 90 -11.413 1.145 -3.621 1.00 64.43 H new ATOM 0 HH21 ARG A 90 -12.963 -1.625 -5.155 1.00 53.14 H new ATOM 0 HH22 ARG A 90 -12.414 0.041 -5.360 1.00 53.14 H new ATOM 1277 N ILE A 91 -7.798 -1.607 0.980 1.00 73.20 N ATOM 1278 CA ILE A 91 -6.963 -1.902 2.140 1.00 40.42 C ATOM 1279 C ILE A 91 -7.807 -2.450 3.289 1.00 42.33 C ATOM 1280 O ILE A 91 -8.950 -2.039 3.477 1.00 20.45 O ATOM 1281 CB ILE A 91 -6.195 -0.639 2.616 1.00 52.33 C ATOM 1282 CG1 ILE A 91 -5.345 -0.067 1.467 1.00 32.12 C ATOM 1283 CG2 ILE A 91 -5.318 -0.961 3.831 1.00 55.14 C ATOM 1284 CD1 ILE A 91 -4.564 1.177 1.840 1.00 54.52 C ATOM 0 H ILE A 91 -8.304 -0.723 1.043 1.00 73.20 H new ATOM 0 HA ILE A 91 -6.238 -2.657 1.836 1.00 40.42 H new ATOM 0 HB ILE A 91 -6.923 0.114 2.917 1.00 52.33 H new ATOM 0 HG12 ILE A 91 -4.648 -0.833 1.128 1.00 32.12 H new ATOM 0 HG13 ILE A 91 -5.998 0.165 0.626 1.00 32.12 H new ATOM 0 HG21 ILE A 91 -4.790 -0.062 4.147 1.00 55.14 H new ATOM 0 HG22 ILE A 91 -5.945 -1.319 4.648 1.00 55.14 H new ATOM 0 HG23 ILE A 91 -4.595 -1.732 3.564 1.00 55.14 H new ATOM 0 HD11 ILE A 91 -3.991 1.519 0.978 1.00 54.52 H new ATOM 0 HD12 ILE A 91 -5.255 1.961 2.150 1.00 54.52 H new ATOM 0 HD13 ILE A 91 -3.884 0.947 2.660 1.00 54.52 H new ATOM 1296 N ASN A 92 -7.234 -3.391 4.031 1.00 64.20 N ATOM 1297 CA ASN A 92 -7.867 -3.957 5.224 1.00 23.21 C ATOM 1298 C ASN A 92 -6.995 -3.631 6.430 1.00 44.04 C ATOM 1299 O ASN A 92 -5.827 -4.019 6.470 1.00 65.43 O ATOM 1300 CB ASN A 92 -8.009 -5.482 5.072 1.00 74.05 C ATOM 1301 CG ASN A 92 -8.989 -6.138 6.050 1.00 33.10 C ATOM 1302 OD1 ASN A 92 -9.659 -7.114 5.694 1.00 3.12 O ATOM 1303 ND2 ASN A 92 -9.087 -5.637 7.271 1.00 22.31 N ATOM 0 H ASN A 92 -6.316 -3.786 3.825 1.00 64.20 H new ATOM 0 HA ASN A 92 -8.862 -3.531 5.357 1.00 23.21 H new ATOM 0 HB2 ASN A 92 -8.331 -5.703 4.054 1.00 74.05 H new ATOM 0 HB3 ASN A 92 -7.028 -5.939 5.202 1.00 74.05 H new ATOM 0 HD21 ASN A 92 -9.727 -6.057 7.945 1.00 22.31 H new ATOM 0 HD22 ASN A 92 -8.522 -4.831 7.538 1.00 22.31 H new ATOM 1310 N TRP A 93 -7.545 -2.921 7.402 1.00 62.25 N ATOM 1311 CA TRP A 93 -6.769 -2.504 8.564 1.00 40.21 C ATOM 1312 C TRP A 93 -7.013 -3.463 9.716 1.00 23.32 C ATOM 1313 O TRP A 93 -8.076 -3.449 10.336 1.00 54.32 O ATOM 1314 CB TRP A 93 -7.152 -1.079 8.974 1.00 53.22 C ATOM 1315 CG TRP A 93 -7.110 -0.111 7.835 1.00 22.33 C ATOM 1316 CD1 TRP A 93 -6.012 0.525 7.331 1.00 62.32 C ATOM 1317 CD2 TRP A 93 -8.222 0.331 7.049 1.00 4.24 C ATOM 1318 NE1 TRP A 93 -6.373 1.329 6.278 1.00 64.01 N ATOM 1319 CE2 TRP A 93 -7.725 1.229 6.090 1.00 53.03 C ATOM 1320 CE3 TRP A 93 -9.590 0.050 7.066 1.00 72.20 C ATOM 1321 CZ2 TRP A 93 -8.548 1.848 5.154 1.00 62.34 C ATOM 1322 CZ3 TRP A 93 -10.407 0.667 6.140 1.00 23.42 C ATOM 1323 CH2 TRP A 93 -9.884 1.557 5.196 1.00 65.42 C ATOM 0 H TRP A 93 -8.520 -2.622 7.412 1.00 62.25 H new ATOM 0 HA TRP A 93 -5.710 -2.519 8.306 1.00 40.21 H new ATOM 0 HB2 TRP A 93 -8.155 -1.087 9.400 1.00 53.22 H new ATOM 0 HB3 TRP A 93 -6.476 -0.738 9.758 1.00 53.22 H new ATOM 0 HD1 TRP A 93 -5.006 0.412 7.706 1.00 62.32 H new ATOM 0 HE1 TRP A 93 -5.738 1.906 5.727 1.00 64.01 H new ATOM 0 HE3 TRP A 93 -10.001 -0.637 7.790 1.00 72.20 H new ATOM 0 HZ2 TRP A 93 -8.147 2.533 4.422 1.00 62.34 H new ATOM 0 HZ3 TRP A 93 -11.467 0.459 6.144 1.00 23.42 H new ATOM 0 HH2 TRP A 93 -10.549 2.024 4.485 1.00 65.42 H new ATOM 1334 N VAL A 94 -6.027 -4.301 10.002 1.00 53.02 N ATOM 1335 CA VAL A 94 -6.173 -5.297 11.050 1.00 25.33 C ATOM 1336 C VAL A 94 -5.690 -4.734 12.378 1.00 64.43 C ATOM 1337 O VAL A 94 -4.548 -4.282 12.495 1.00 21.10 O ATOM 1338 CB VAL A 94 -5.374 -6.580 10.717 1.00 14.43 C ATOM 1339 CG1 VAL A 94 -5.743 -7.728 11.658 1.00 11.51 C ATOM 1340 CG2 VAL A 94 -5.579 -6.978 9.256 1.00 44.01 C ATOM 0 H VAL A 94 -5.125 -4.311 9.527 1.00 53.02 H new ATOM 0 HA VAL A 94 -7.230 -5.553 11.122 1.00 25.33 H new ATOM 0 HB VAL A 94 -4.316 -6.364 10.866 1.00 14.43 H new ATOM 0 HG11 VAL A 94 -5.164 -8.613 11.396 1.00 11.51 H new ATOM 0 HG12 VAL A 94 -5.523 -7.441 12.686 1.00 11.51 H new ATOM 0 HG13 VAL A 94 -6.806 -7.949 11.563 1.00 11.51 H new ATOM 0 HG21 VAL A 94 -5.009 -7.882 9.042 1.00 44.01 H new ATOM 0 HG22 VAL A 94 -6.637 -7.165 9.075 1.00 44.01 H new ATOM 0 HG23 VAL A 94 -5.237 -6.171 8.608 1.00 44.01 H new ATOM 1350 N TRP A 95 -6.569 -4.759 13.369 1.00 23.53 N ATOM 1351 CA TRP A 95 -6.232 -4.336 14.724 1.00 35.04 C ATOM 1352 C TRP A 95 -6.427 -5.502 15.687 1.00 14.25 C ATOM 1353 O TRP A 95 -5.809 -5.559 16.752 1.00 12.44 O ATOM 1354 CB TRP A 95 -7.122 -3.163 15.155 1.00 2.50 C ATOM 1355 CG TRP A 95 -7.168 -2.045 14.157 1.00 30.40 C ATOM 1356 CD1 TRP A 95 -6.115 -1.305 13.702 1.00 14.14 C ATOM 1357 CD2 TRP A 95 -8.333 -1.537 13.495 1.00 42.13 C ATOM 1358 NE1 TRP A 95 -6.553 -0.371 12.799 1.00 24.32 N ATOM 1359 CE2 TRP A 95 -7.910 -0.490 12.654 1.00 20.12 C ATOM 1360 CE3 TRP A 95 -9.692 -1.864 13.531 1.00 72.42 C ATOM 1361 CZ2 TRP A 95 -8.795 0.228 11.856 1.00 62.24 C ATOM 1362 CZ3 TRP A 95 -10.570 -1.148 12.738 1.00 32.11 C ATOM 1363 CH2 TRP A 95 -10.119 -0.111 11.911 1.00 73.40 C ATOM 0 H TRP A 95 -7.534 -5.072 13.259 1.00 23.53 H new ATOM 0 HA TRP A 95 -5.191 -4.014 14.742 1.00 35.04 H new ATOM 0 HB2 TRP A 95 -8.135 -3.529 15.324 1.00 2.50 H new ATOM 0 HB3 TRP A 95 -6.760 -2.774 16.107 1.00 2.50 H new ATOM 0 HD1 TRP A 95 -5.088 -1.436 14.008 1.00 14.14 H new ATOM 0 HE1 TRP A 95 -5.963 0.304 12.313 1.00 24.32 H new ATOM 0 HE3 TRP A 95 -10.049 -2.661 14.166 1.00 72.42 H new ATOM 0 HZ2 TRP A 95 -8.449 1.025 11.215 1.00 62.24 H new ATOM 0 HZ3 TRP A 95 -11.622 -1.393 12.757 1.00 32.11 H new ATOM 0 HH2 TRP A 95 -10.830 0.431 11.305 1.00 73.40 H new ATOM 1374 N ASN A 96 -7.287 -6.434 15.279 1.00 44.15 N ATOM 1375 CA ASN A 96 -7.704 -7.557 16.123 1.00 60.44 C ATOM 1376 C ASN A 96 -8.777 -8.395 15.409 1.00 44.22 C ATOM 1377 O ASN A 96 -8.658 -9.618 15.341 1.00 11.31 O ATOM 1378 CB ASN A 96 -8.238 -7.066 17.485 1.00 61.52 C ATOM 1379 CG ASN A 96 -8.636 -8.201 18.417 1.00 54.03 C ATOM 1380 OD1 ASN A 96 -8.052 -9.286 18.390 1.00 60.32 O ATOM 1381 ND2 ASN A 96 -9.636 -7.957 19.251 1.00 3.40 N ATOM 0 H ASN A 96 -7.716 -6.433 14.353 1.00 44.15 H new ATOM 0 HA ASN A 96 -6.828 -8.179 16.305 1.00 60.44 H new ATOM 0 HB2 ASN A 96 -7.474 -6.457 17.969 1.00 61.52 H new ATOM 0 HB3 ASN A 96 -9.101 -6.421 17.319 1.00 61.52 H new ATOM 0 HD21 ASN A 96 -9.947 -8.680 19.900 1.00 3.40 H new ATOM 0 HD22 ASN A 96 -10.095 -7.046 19.244 1.00 3.40 H new ATOM 1388 N PRO A 97 -9.848 -7.755 14.868 1.00 1.11 N ATOM 1389 CA PRO A 97 -10.904 -8.483 14.148 1.00 24.23 C ATOM 1390 C PRO A 97 -10.394 -9.079 12.831 1.00 21.22 C ATOM 1391 O PRO A 97 -9.531 -8.491 12.173 1.00 14.42 O ATOM 1392 CB PRO A 97 -11.968 -7.406 13.882 1.00 51.44 C ATOM 1393 CG PRO A 97 -11.215 -6.121 13.892 1.00 1.43 C ATOM 1394 CD PRO A 97 -10.128 -6.300 14.913 1.00 23.34 C ATOM 0 HA PRO A 97 -11.281 -9.332 14.719 1.00 24.23 H new ATOM 0 HB2 PRO A 97 -12.464 -7.567 12.925 1.00 51.44 H new ATOM 0 HB3 PRO A 97 -12.743 -7.417 14.648 1.00 51.44 H new ATOM 0 HG2 PRO A 97 -10.798 -5.903 12.909 1.00 1.43 H new ATOM 0 HG3 PRO A 97 -11.866 -5.287 14.154 1.00 1.43 H new ATOM 0 HD2 PRO A 97 -9.244 -5.713 14.665 1.00 23.34 H new ATOM 0 HD3 PRO A 97 -10.452 -5.984 15.904 1.00 23.34 H new ATOM 1402 N PRO A 98 -10.904 -10.265 12.443 1.00 73.54 N ATOM 1403 CA PRO A 98 -10.534 -10.922 11.178 1.00 21.40 C ATOM 1404 C PRO A 98 -10.955 -10.109 9.951 1.00 13.35 C ATOM 1405 O PRO A 98 -11.735 -9.157 10.059 1.00 55.43 O ATOM 1406 CB PRO A 98 -11.294 -12.262 11.221 1.00 73.30 C ATOM 1407 CG PRO A 98 -11.652 -12.458 12.656 1.00 55.24 C ATOM 1408 CD PRO A 98 -11.860 -11.078 13.213 1.00 71.22 C ATOM 0 HA PRO A 98 -9.454 -11.036 11.087 1.00 21.40 H new ATOM 0 HB2 PRO A 98 -12.184 -12.231 10.593 1.00 73.30 H new ATOM 0 HB3 PRO A 98 -10.673 -13.079 10.854 1.00 73.30 H new ATOM 0 HG2 PRO A 98 -12.554 -13.061 12.756 1.00 55.24 H new ATOM 0 HG3 PRO A 98 -10.858 -12.981 13.190 1.00 55.24 H new ATOM 0 HD2 PRO A 98 -12.886 -10.736 13.073 1.00 71.22 H new ATOM 0 HD3 PRO A 98 -11.654 -11.039 14.283 1.00 71.22 H new ATOM 1416 N TRP A 99 -10.454 -10.511 8.787 1.00 10.21 N ATOM 1417 CA TRP A 99 -10.705 -9.791 7.541 1.00 11.21 C ATOM 1418 C TRP A 99 -12.163 -9.930 7.106 1.00 44.14 C ATOM 1419 O TRP A 99 -12.897 -10.789 7.608 1.00 14.44 O ATOM 1420 CB TRP A 99 -9.774 -10.312 6.435 1.00 32.42 C ATOM 1421 CG TRP A 99 -8.324 -10.316 6.831 1.00 65.01 C ATOM 1422 CD1 TRP A 99 -7.671 -9.363 7.559 1.00 53.53 C ATOM 1423 CD2 TRP A 99 -7.344 -11.315 6.514 1.00 22.43 C ATOM 1424 NE1 TRP A 99 -6.353 -9.712 7.722 1.00 11.22 N ATOM 1425 CE2 TRP A 99 -6.127 -10.903 7.088 1.00 12.04 C ATOM 1426 CE3 TRP A 99 -7.377 -12.521 5.804 1.00 51.41 C ATOM 1427 CZ2 TRP A 99 -4.955 -11.649 6.975 1.00 73.45 C ATOM 1428 CZ3 TRP A 99 -6.212 -13.260 5.690 1.00 35.22 C ATOM 1429 CH2 TRP A 99 -5.017 -12.822 6.275 1.00 14.32 C ATOM 0 H TRP A 99 -9.867 -11.338 8.680 1.00 10.21 H new ATOM 0 HA TRP A 99 -10.503 -8.734 7.714 1.00 11.21 H new ATOM 0 HB2 TRP A 99 -10.073 -11.325 6.166 1.00 32.42 H new ATOM 0 HB3 TRP A 99 -9.899 -9.696 5.545 1.00 32.42 H new ATOM 0 HD1 TRP A 99 -8.125 -8.465 7.950 1.00 53.53 H new ATOM 0 HE1 TRP A 99 -5.655 -9.171 8.233 1.00 11.22 H new ATOM 0 HE3 TRP A 99 -8.295 -12.869 5.353 1.00 51.41 H new ATOM 0 HZ2 TRP A 99 -4.032 -11.313 7.424 1.00 73.45 H new ATOM 0 HZ3 TRP A 99 -6.225 -14.190 5.141 1.00 35.22 H new ATOM 0 HH2 TRP A 99 -4.126 -13.423 6.171 1.00 14.32 H new ATOM 1440 N GLY A 100 -12.573 -9.085 6.167 1.00 21.42 N ATOM 1441 CA GLY A 100 -13.930 -9.124 5.661 1.00 2.22 C ATOM 1442 C GLY A 100 -14.378 -7.769 5.141 1.00 41.03 C ATOM 1443 O GLY A 100 -13.651 -7.137 4.371 1.00 3.14 O ATOM 0 H GLY A 100 -11.983 -8.368 5.745 1.00 21.42 H new ATOM 0 HA2 GLY A 100 -13.998 -9.861 4.861 1.00 2.22 H new ATOM 0 HA3 GLY A 100 -14.604 -9.450 6.453 1.00 2.22 H new ATOM 1447 N PRO A 101 -15.558 -7.275 5.574 1.00 42.41 N ATOM 1448 CA PRO A 101 -16.107 -5.989 5.106 1.00 44.00 C ATOM 1449 C PRO A 101 -15.227 -4.800 5.497 1.00 31.31 C ATOM 1450 O PRO A 101 -15.435 -3.680 5.030 1.00 22.11 O ATOM 1451 CB PRO A 101 -17.481 -5.907 5.799 1.00 41.43 C ATOM 1452 CG PRO A 101 -17.363 -6.806 6.983 1.00 14.20 C ATOM 1453 CD PRO A 101 -16.452 -7.927 6.555 1.00 72.44 C ATOM 0 HA PRO A 101 -16.166 -5.945 4.019 1.00 44.00 H new ATOM 0 HB2 PRO A 101 -17.712 -4.885 6.099 1.00 41.43 H new ATOM 0 HB3 PRO A 101 -18.280 -6.232 5.133 1.00 41.43 H new ATOM 0 HG2 PRO A 101 -16.952 -6.273 7.840 1.00 14.20 H new ATOM 0 HG3 PRO A 101 -18.339 -7.188 7.284 1.00 14.20 H new ATOM 0 HD2 PRO A 101 -15.895 -8.338 7.397 1.00 72.44 H new ATOM 0 HD3 PRO A 101 -17.009 -8.751 6.108 1.00 72.44 H new ATOM 1461 N ASP A 102 -14.234 -5.059 6.349 1.00 62.22 N ATOM 1462 CA ASP A 102 -13.305 -4.021 6.793 1.00 43.41 C ATOM 1463 C ASP A 102 -12.494 -3.481 5.617 1.00 2.24 C ATOM 1464 O ASP A 102 -11.902 -2.406 5.698 1.00 23.41 O ATOM 1465 CB ASP A 102 -12.360 -4.567 7.877 1.00 73.13 C ATOM 1466 CG ASP A 102 -11.460 -3.488 8.467 1.00 1.04 C ATOM 1467 OD1 ASP A 102 -11.929 -2.750 9.361 1.00 52.32 O ATOM 1468 OD2 ASP A 102 -10.294 -3.370 8.036 1.00 23.42 O ATOM 0 H ASP A 102 -14.053 -5.981 6.746 1.00 62.22 H new ATOM 0 HA ASP A 102 -13.890 -3.205 7.216 1.00 43.41 H new ATOM 0 HB2 ASP A 102 -12.950 -5.019 8.674 1.00 73.13 H new ATOM 0 HB3 ASP A 102 -11.742 -5.357 7.451 1.00 73.13 H new ATOM 1473 N LYS A 103 -12.509 -4.214 4.501 1.00 23.14 N ATOM 1474 CA LYS A 103 -11.771 -3.806 3.312 1.00 43.41 C ATOM 1475 C LYS A 103 -12.491 -2.674 2.585 1.00 14.40 C ATOM 1476 O LYS A 103 -11.940 -2.073 1.664 1.00 64.40 O ATOM 1477 CB LYS A 103 -11.552 -5.001 2.361 1.00 72.40 C ATOM 1478 CG LYS A 103 -10.453 -5.958 2.820 1.00 72.25 C ATOM 1479 CD LYS A 103 -10.137 -7.032 1.778 1.00 30.45 C ATOM 1480 CE LYS A 103 -8.802 -7.727 2.059 1.00 22.20 C ATOM 1481 NZ LYS A 103 -8.773 -8.408 3.385 1.00 5.41 N ATOM 0 H LYS A 103 -13.023 -5.089 4.400 1.00 23.14 H new ATOM 0 HA LYS A 103 -10.796 -3.442 3.635 1.00 43.41 H new ATOM 0 HB2 LYS A 103 -12.486 -5.554 2.266 1.00 72.40 H new ATOM 0 HB3 LYS A 103 -11.302 -4.624 1.369 1.00 72.40 H new ATOM 0 HG2 LYS A 103 -9.548 -5.390 3.037 1.00 72.25 H new ATOM 0 HG3 LYS A 103 -10.759 -6.438 3.750 1.00 72.25 H new ATOM 0 HD2 LYS A 103 -10.936 -7.773 1.767 1.00 30.45 H new ATOM 0 HD3 LYS A 103 -10.109 -6.579 0.787 1.00 30.45 H new ATOM 0 HE2 LYS A 103 -8.607 -8.459 1.275 1.00 22.20 H new ATOM 0 HE3 LYS A 103 -7.999 -6.992 2.016 1.00 22.20 H new ATOM 0 HZ1 LYS A 103 -7.790 -8.638 3.635 1.00 5.41 H new ATOM 0 HZ2 LYS A 103 -9.176 -7.778 4.108 1.00 5.41 H new ATOM 0 HZ3 LYS A 103 -9.333 -9.283 3.338 1.00 5.41 H new