USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 11 GLN : amide:sc= -0.324 K(o=-0.32,f=-1) USER MOD Single : A 16 TYR OH : rot 63:sc= 0.81 USER MOD Single : A 20 MET CE :methyl -145:sc= -2.51! (180deg=-5.14!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 29 ASN : amide:sc= -0.176 K(o=-0.18,f=-4!) USER MOD Single : A 33 SER OG : rot -111:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 1.25 (180deg=1.19) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.848) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.8! K(o=-3.8!,f=-0.47) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.15) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0249) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 73 ASN : amide:sc= 0.374 X(o=0.37,f=-0.0041) USER MOD Single : A 75 THR OG1 : rot -173:sc= 1.29 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -159:sc= -0.137 (180deg=-0.979) USER MOD Single : A 84 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 85 TYR OH : rot -159:sc= 0.515 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 1.07 K(o=1.1,f=-3.8!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 2.429 -13.334 7.676 1.00 60.32 N ATOM 92 CA TYR A 7 1.085 -13.126 7.159 1.00 1.23 C ATOM 93 C TYR A 7 1.118 -12.295 5.881 1.00 54.41 C ATOM 94 O TYR A 7 2.154 -11.734 5.514 1.00 43.24 O ATOM 95 CB TYR A 7 0.177 -12.480 8.214 1.00 33.53 C ATOM 96 CG TYR A 7 0.750 -11.247 8.884 1.00 14.25 C ATOM 97 CD1 TYR A 7 0.562 -9.983 8.342 1.00 75.30 C ATOM 98 CD2 TYR A 7 1.461 -11.350 10.075 1.00 63.22 C ATOM 99 CE1 TYR A 7 1.069 -8.859 8.962 1.00 44.43 C ATOM 100 CE2 TYR A 7 1.968 -10.228 10.703 1.00 11.13 C ATOM 101 CZ TYR A 7 1.769 -8.986 10.143 1.00 62.24 C ATOM 102 OH TYR A 7 2.264 -7.864 10.766 1.00 12.54 O ATOM 0 HA TYR A 7 0.665 -14.102 6.916 1.00 1.23 H new ATOM 0 HB2 TYR A 7 -0.769 -12.213 7.743 1.00 33.53 H new ATOM 0 HB3 TYR A 7 -0.047 -13.221 8.981 1.00 33.53 H new ATOM 0 HD1 TYR A 7 0.010 -9.877 7.420 1.00 75.30 H new ATOM 0 HD2 TYR A 7 1.620 -12.323 10.516 1.00 63.22 H new ATOM 0 HE1 TYR A 7 0.918 -7.884 8.524 1.00 44.43 H new ATOM 0 HE2 TYR A 7 2.517 -10.325 11.628 1.00 11.13 H new ATOM 0 HH TYR A 7 2.731 -8.125 11.587 1.00 12.54 H new ATOM 112 N THR A 8 -0.015 -12.230 5.206 1.00 2.24 N ATOM 113 CA THR A 8 -0.113 -11.543 3.930 1.00 61.11 C ATOM 114 C THR A 8 -0.448 -10.068 4.126 1.00 15.34 C ATOM 115 O THR A 8 -0.883 -9.662 5.205 1.00 40.53 O ATOM 116 CB THR A 8 -1.189 -12.202 3.049 1.00 32.33 C ATOM 117 OG1 THR A 8 -2.402 -12.351 3.800 1.00 73.10 O ATOM 118 CG2 THR A 8 -0.726 -13.563 2.551 1.00 31.54 C ATOM 0 H THR A 8 -0.889 -12.649 5.524 1.00 2.24 H new ATOM 0 HA THR A 8 0.856 -11.618 3.436 1.00 61.11 H new ATOM 0 HB THR A 8 -1.366 -11.561 2.185 1.00 32.33 H new ATOM 0 HG1 THR A 8 -3.086 -12.769 3.237 1.00 73.10 H new ATOM 0 HG21 THR A 8 -1.504 -14.008 1.931 1.00 31.54 H new ATOM 0 HG22 THR A 8 0.184 -13.445 1.962 1.00 31.54 H new ATOM 0 HG23 THR A 8 -0.525 -14.213 3.403 1.00 31.54 H new ATOM 126 N VAL A 9 -0.257 -9.271 3.078 1.00 21.52 N ATOM 127 CA VAL A 9 -0.543 -7.843 3.147 1.00 31.24 C ATOM 128 C VAL A 9 -2.051 -7.602 3.288 1.00 13.13 C ATOM 129 O VAL A 9 -2.481 -6.581 3.823 1.00 24.03 O ATOM 130 CB VAL A 9 0.022 -7.085 1.919 1.00 31.32 C ATOM 131 CG1 VAL A 9 -0.643 -7.542 0.636 1.00 31.30 C ATOM 132 CG2 VAL A 9 -0.119 -5.580 2.092 1.00 44.32 C ATOM 0 H VAL A 9 0.093 -9.589 2.174 1.00 21.52 H new ATOM 0 HA VAL A 9 -0.043 -7.449 4.032 1.00 31.24 H new ATOM 0 HB VAL A 9 1.084 -7.320 1.848 1.00 31.32 H new ATOM 0 HG11 VAL A 9 -0.225 -6.991 -0.207 1.00 31.30 H new ATOM 0 HG12 VAL A 9 -0.468 -8.609 0.495 1.00 31.30 H new ATOM 0 HG13 VAL A 9 -1.715 -7.355 0.695 1.00 31.30 H new ATOM 0 HG21 VAL A 9 0.286 -5.074 1.216 1.00 44.32 H new ATOM 0 HG22 VAL A 9 -1.172 -5.324 2.205 1.00 44.32 H new ATOM 0 HG23 VAL A 9 0.429 -5.263 2.979 1.00 44.32 H new ATOM 142 N ALA A 10 -2.852 -8.564 2.830 1.00 14.44 N ATOM 143 CA ALA A 10 -4.299 -8.494 2.998 1.00 12.23 C ATOM 144 C ALA A 10 -4.665 -8.555 4.476 1.00 34.22 C ATOM 145 O ALA A 10 -5.576 -7.863 4.929 1.00 65.33 O ATOM 146 CB ALA A 10 -4.983 -9.618 2.236 1.00 73.24 C ATOM 0 H ALA A 10 -2.523 -9.397 2.342 1.00 14.44 H new ATOM 0 HA ALA A 10 -4.646 -7.544 2.592 1.00 12.23 H new ATOM 0 HB1 ALA A 10 -6.062 -9.548 2.375 1.00 73.24 H new ATOM 0 HB2 ALA A 10 -4.747 -9.534 1.175 1.00 73.24 H new ATOM 0 HB3 ALA A 10 -4.631 -10.579 2.611 1.00 73.24 H new ATOM 152 N GLN A 11 -3.944 -9.382 5.225 1.00 12.12 N ATOM 153 CA GLN A 11 -4.149 -9.482 6.662 1.00 54.32 C ATOM 154 C GLN A 11 -3.492 -8.285 7.341 1.00 21.43 C ATOM 155 O GLN A 11 -4.030 -7.724 8.294 1.00 23.44 O ATOM 156 CB GLN A 11 -3.574 -10.804 7.192 1.00 54.43 C ATOM 157 CG GLN A 11 -4.155 -11.254 8.531 1.00 23.23 C ATOM 158 CD GLN A 11 -3.626 -10.473 9.719 1.00 21.42 C ATOM 159 OE1 GLN A 11 -2.479 -10.031 9.729 1.00 2.50 O ATOM 160 NE2 GLN A 11 -4.464 -10.297 10.727 1.00 52.24 N ATOM 0 H GLN A 11 -3.213 -9.992 4.859 1.00 12.12 H new ATOM 0 HA GLN A 11 -5.216 -9.474 6.885 1.00 54.32 H new ATOM 0 HB2 GLN A 11 -3.751 -11.585 6.453 1.00 54.43 H new ATOM 0 HB3 GLN A 11 -2.494 -10.701 7.295 1.00 54.43 H new ATOM 0 HG2 GLN A 11 -5.240 -11.156 8.497 1.00 23.23 H new ATOM 0 HG3 GLN A 11 -3.935 -12.312 8.676 1.00 23.23 H new ATOM 0 HE21 GLN A 11 -5.408 -10.681 10.678 1.00 52.24 H new ATOM 0 HE22 GLN A 11 -4.166 -9.778 11.553 1.00 52.24 H new ATOM 169 N LEU A 12 -2.338 -7.884 6.814 1.00 42.31 N ATOM 170 CA LEU A 12 -1.623 -6.710 7.302 1.00 25.22 C ATOM 171 C LEU A 12 -2.504 -5.466 7.229 1.00 3.25 C ATOM 172 O LEU A 12 -2.363 -4.554 8.036 1.00 52.42 O ATOM 173 CB LEU A 12 -0.338 -6.492 6.493 1.00 12.22 C ATOM 174 CG LEU A 12 0.479 -5.254 6.875 1.00 4.31 C ATOM 175 CD1 LEU A 12 0.964 -5.347 8.314 1.00 45.24 C ATOM 176 CD2 LEU A 12 1.655 -5.082 5.929 1.00 34.11 C ATOM 0 H LEU A 12 -1.875 -8.361 6.041 1.00 42.31 H new ATOM 0 HA LEU A 12 -1.360 -6.885 8.345 1.00 25.22 H new ATOM 0 HB2 LEU A 12 0.295 -7.372 6.605 1.00 12.22 H new ATOM 0 HB3 LEU A 12 -0.601 -6.421 5.438 1.00 12.22 H new ATOM 0 HG LEU A 12 -0.167 -4.380 6.790 1.00 4.31 H new ATOM 0 HD11 LEU A 12 1.542 -4.456 8.562 1.00 45.24 H new ATOM 0 HD12 LEU A 12 0.107 -5.421 8.983 1.00 45.24 H new ATOM 0 HD13 LEU A 12 1.592 -6.230 8.430 1.00 45.24 H new ATOM 0 HD21 LEU A 12 2.225 -4.198 6.214 1.00 34.11 H new ATOM 0 HD22 LEU A 12 2.297 -5.961 5.983 1.00 34.11 H new ATOM 0 HD23 LEU A 12 1.288 -4.963 4.910 1.00 34.11 H new ATOM 188 N ALA A 13 -3.407 -5.435 6.256 1.00 0.13 N ATOM 189 CA ALA A 13 -4.346 -4.327 6.106 1.00 22.10 C ATOM 190 C ALA A 13 -5.186 -4.137 7.368 1.00 33.11 C ATOM 191 O ALA A 13 -5.474 -3.008 7.766 1.00 61.41 O ATOM 192 CB ALA A 13 -5.246 -4.557 4.901 1.00 74.35 C ATOM 0 H ALA A 13 -3.510 -6.169 5.555 1.00 0.13 H new ATOM 0 HA ALA A 13 -3.768 -3.416 5.947 1.00 22.10 H new ATOM 0 HB1 ALA A 13 -5.941 -3.723 4.801 1.00 74.35 H new ATOM 0 HB2 ALA A 13 -4.636 -4.631 4.000 1.00 74.35 H new ATOM 0 HB3 ALA A 13 -5.806 -5.482 5.037 1.00 74.35 H new ATOM 198 N ASP A 14 -5.567 -5.245 8.000 1.00 63.15 N ATOM 199 CA ASP A 14 -6.333 -5.199 9.246 1.00 23.20 C ATOM 200 C ASP A 14 -5.486 -4.581 10.353 1.00 61.31 C ATOM 201 O ASP A 14 -5.936 -3.691 11.080 1.00 2.02 O ATOM 202 CB ASP A 14 -6.783 -6.611 9.647 1.00 5.20 C ATOM 203 CG ASP A 14 -7.554 -6.642 10.957 1.00 43.34 C ATOM 204 OD1 ASP A 14 -8.789 -6.448 10.933 1.00 14.31 O ATOM 205 OD2 ASP A 14 -6.934 -6.894 12.012 1.00 53.20 O ATOM 0 H ASP A 14 -5.358 -6.187 7.670 1.00 63.15 H new ATOM 0 HA ASP A 14 -7.219 -4.583 9.093 1.00 23.20 H new ATOM 0 HB2 ASP A 14 -7.407 -7.025 8.855 1.00 5.20 H new ATOM 0 HB3 ASP A 14 -5.907 -7.254 9.732 1.00 5.20 H new ATOM 210 N GLU A 15 -4.247 -5.051 10.442 1.00 10.21 N ATOM 211 CA GLU A 15 -3.273 -4.535 11.396 1.00 4.31 C ATOM 212 C GLU A 15 -3.005 -3.050 11.145 1.00 52.15 C ATOM 213 O GLU A 15 -3.090 -2.226 12.055 1.00 42.14 O ATOM 214 CB GLU A 15 -1.969 -5.334 11.266 1.00 2.41 C ATOM 215 CG GLU A 15 -0.821 -4.799 12.109 1.00 4.35 C ATOM 216 CD GLU A 15 -0.925 -5.173 13.575 1.00 70.13 C ATOM 217 OE1 GLU A 15 -2.049 -5.203 14.112 1.00 63.42 O ATOM 218 OE2 GLU A 15 0.131 -5.430 14.198 1.00 4.22 O ATOM 0 H GLU A 15 -3.889 -5.803 9.853 1.00 10.21 H new ATOM 0 HA GLU A 15 -3.671 -4.642 12.405 1.00 4.31 H new ATOM 0 HB2 GLU A 15 -2.161 -6.369 11.549 1.00 2.41 H new ATOM 0 HB3 GLU A 15 -1.664 -5.341 10.220 1.00 2.41 H new ATOM 0 HG2 GLU A 15 0.120 -5.178 11.711 1.00 4.35 H new ATOM 0 HG3 GLU A 15 -0.790 -3.713 12.020 1.00 4.35 H new ATOM 225 N TYR A 16 -2.701 -2.726 9.893 1.00 75.01 N ATOM 226 CA TYR A 16 -2.362 -1.367 9.490 1.00 52.02 C ATOM 227 C TYR A 16 -3.481 -0.390 9.834 1.00 73.03 C ATOM 228 O TYR A 16 -3.229 0.680 10.386 1.00 22.31 O ATOM 229 CB TYR A 16 -2.069 -1.322 7.984 1.00 5.41 C ATOM 230 CG TYR A 16 -1.724 0.055 7.461 1.00 70.54 C ATOM 231 CD1 TYR A 16 -0.466 0.600 7.667 1.00 25.21 C ATOM 232 CD2 TYR A 16 -2.656 0.806 6.757 1.00 35.13 C ATOM 233 CE1 TYR A 16 -0.146 1.855 7.188 1.00 60.30 C ATOM 234 CE2 TYR A 16 -2.344 2.062 6.274 1.00 43.13 C ATOM 235 CZ TYR A 16 -1.088 2.582 6.493 1.00 53.33 C ATOM 236 OH TYR A 16 -0.774 3.835 6.018 1.00 21.33 O ATOM 0 H TYR A 16 -2.683 -3.400 9.128 1.00 75.01 H new ATOM 0 HA TYR A 16 -1.471 -1.066 10.040 1.00 52.02 H new ATOM 0 HB2 TYR A 16 -1.243 -1.999 7.765 1.00 5.41 H new ATOM 0 HB3 TYR A 16 -2.939 -1.696 7.444 1.00 5.41 H new ATOM 0 HD1 TYR A 16 0.276 0.034 8.211 1.00 25.21 H new ATOM 0 HD2 TYR A 16 -3.642 0.401 6.584 1.00 35.13 H new ATOM 0 HE1 TYR A 16 0.839 2.265 7.357 1.00 60.30 H new ATOM 0 HE2 TYR A 16 -3.081 2.633 5.728 1.00 43.13 H new ATOM 0 HH TYR A 16 -0.052 3.764 5.359 1.00 21.33 H new ATOM 246 N PHE A 17 -4.713 -0.763 9.514 1.00 33.43 N ATOM 247 CA PHE A 17 -5.860 0.097 9.780 1.00 11.20 C ATOM 248 C PHE A 17 -6.025 0.317 11.282 1.00 10.40 C ATOM 249 O PHE A 17 -6.253 1.434 11.737 1.00 5.30 O ATOM 250 CB PHE A 17 -7.135 -0.511 9.187 1.00 70.34 C ATOM 251 CG PHE A 17 -8.324 0.410 9.239 1.00 43.35 C ATOM 252 CD1 PHE A 17 -8.493 1.396 8.280 1.00 64.21 C ATOM 253 CD2 PHE A 17 -9.270 0.291 10.245 1.00 14.43 C ATOM 254 CE1 PHE A 17 -9.583 2.245 8.322 1.00 31.04 C ATOM 255 CE2 PHE A 17 -10.362 1.137 10.293 1.00 11.44 C ATOM 256 CZ PHE A 17 -10.517 2.116 9.331 1.00 42.22 C ATOM 0 H PHE A 17 -4.944 -1.652 9.071 1.00 33.43 H new ATOM 0 HA PHE A 17 -5.684 1.062 9.306 1.00 11.20 H new ATOM 0 HB2 PHE A 17 -6.946 -0.789 8.150 1.00 70.34 H new ATOM 0 HB3 PHE A 17 -7.373 -1.429 9.724 1.00 70.34 H new ATOM 0 HD1 PHE A 17 -7.764 1.502 7.490 1.00 64.21 H new ATOM 0 HD2 PHE A 17 -9.152 -0.472 11.000 1.00 14.43 H new ATOM 0 HE1 PHE A 17 -9.704 3.008 7.567 1.00 31.04 H new ATOM 0 HE2 PHE A 17 -11.093 1.033 11.081 1.00 11.44 H new ATOM 0 HZ PHE A 17 -11.368 2.780 9.368 1.00 42.22 H new ATOM 266 N GLU A 18 -5.868 -0.749 12.050 1.00 21.12 N ATOM 267 CA GLU A 18 -6.056 -0.687 13.492 1.00 42.42 C ATOM 268 C GLU A 18 -4.898 0.044 14.176 1.00 55.41 C ATOM 269 O GLU A 18 -5.046 0.556 15.280 1.00 74.34 O ATOM 270 CB GLU A 18 -6.202 -2.107 14.051 1.00 12.53 C ATOM 271 CG GLU A 18 -6.492 -2.169 15.542 1.00 41.31 C ATOM 272 CD GLU A 18 -7.757 -1.434 15.924 1.00 22.41 C ATOM 273 OE1 GLU A 18 -8.840 -1.805 15.428 1.00 34.31 O ATOM 274 OE2 GLU A 18 -7.678 -0.490 16.735 1.00 30.12 O ATOM 0 H GLU A 18 -5.610 -1.671 11.698 1.00 21.12 H new ATOM 0 HA GLU A 18 -6.965 -0.122 13.698 1.00 42.42 H new ATOM 0 HB2 GLU A 18 -7.005 -2.614 13.516 1.00 12.53 H new ATOM 0 HB3 GLU A 18 -5.285 -2.660 13.848 1.00 12.53 H new ATOM 0 HG2 GLU A 18 -6.577 -3.212 15.848 1.00 41.31 H new ATOM 0 HG3 GLU A 18 -5.651 -1.744 16.089 1.00 41.31 H new ATOM 281 N ARG A 19 -3.743 0.094 13.531 1.00 41.23 N ATOM 282 CA ARG A 19 -2.576 0.716 14.146 1.00 0.25 C ATOM 283 C ARG A 19 -2.318 2.125 13.618 1.00 33.12 C ATOM 284 O ARG A 19 -2.236 3.074 14.395 1.00 32.32 O ATOM 285 CB ARG A 19 -1.329 -0.154 13.960 1.00 64.03 C ATOM 286 CG ARG A 19 -1.377 -1.464 14.734 1.00 52.22 C ATOM 287 CD ARG A 19 -1.784 -1.232 16.183 1.00 65.15 C ATOM 288 NE ARG A 19 -1.618 -2.420 17.019 1.00 14.11 N ATOM 289 CZ ARG A 19 -2.478 -3.438 17.069 1.00 0.44 C ATOM 290 NH1 ARG A 19 -3.526 -3.476 16.253 1.00 51.43 N ATOM 291 NH2 ARG A 19 -2.270 -4.427 17.932 1.00 63.44 N ATOM 0 H ARG A 19 -3.587 -0.282 12.596 1.00 41.23 H new ATOM 0 HA ARG A 19 -2.795 0.802 15.210 1.00 0.25 H new ATOM 0 HB2 ARG A 19 -1.204 -0.373 12.900 1.00 64.03 H new ATOM 0 HB3 ARG A 19 -0.452 0.412 14.274 1.00 64.03 H new ATOM 0 HG2 ARG A 19 -2.084 -2.144 14.259 1.00 52.22 H new ATOM 0 HG3 ARG A 19 -0.400 -1.945 14.700 1.00 52.22 H new ATOM 0 HD2 ARG A 19 -1.189 -0.418 16.596 1.00 65.15 H new ATOM 0 HD3 ARG A 19 -2.826 -0.914 16.216 1.00 65.15 H new ATOM 0 HE ARG A 19 -0.785 -2.474 17.606 1.00 14.11 H new ATOM 0 HH11 ARG A 19 -3.677 -2.723 15.582 1.00 51.43 H new ATOM 0 HH12 ARG A 19 -4.179 -4.258 16.298 1.00 51.43 H new ATOM 0 HH21 ARG A 19 -1.458 -4.403 18.549 1.00 63.44 H new ATOM 0 HH22 ARG A 19 -2.922 -5.210 17.977 1.00 63.44 H new ATOM 305 N MET A 20 -2.215 2.275 12.305 1.00 14.23 N ATOM 306 CA MET A 20 -1.804 3.551 11.724 1.00 15.54 C ATOM 307 C MET A 20 -2.982 4.515 11.622 1.00 60.42 C ATOM 308 O MET A 20 -2.815 5.733 11.708 1.00 2.54 O ATOM 309 CB MET A 20 -1.187 3.325 10.341 1.00 11.00 C ATOM 310 CG MET A 20 -0.506 4.550 9.743 1.00 41.22 C ATOM 311 SD MET A 20 1.077 4.950 10.522 1.00 73.12 S ATOM 312 CE MET A 20 0.556 5.739 12.045 1.00 43.40 C ATOM 0 H MET A 20 -2.407 1.539 11.626 1.00 14.23 H new ATOM 0 HA MET A 20 -1.058 3.997 12.381 1.00 15.54 H new ATOM 0 HB2 MET A 20 -0.458 2.518 10.410 1.00 11.00 H new ATOM 0 HB3 MET A 20 -1.969 2.991 9.659 1.00 11.00 H new ATOM 0 HG2 MET A 20 -0.345 4.383 8.678 1.00 41.22 H new ATOM 0 HG3 MET A 20 -1.173 5.407 9.834 1.00 41.22 H new ATOM 0 HE1 MET A 20 1.257 6.534 12.301 1.00 43.40 H new ATOM 0 HE2 MET A 20 -0.440 6.162 11.914 1.00 43.40 H new ATOM 0 HE3 MET A 20 0.534 5.002 12.848 1.00 43.40 H new ATOM 322 N ILE A 21 -4.178 3.966 11.479 1.00 35.53 N ATOM 323 CA ILE A 21 -5.383 4.781 11.413 1.00 21.31 C ATOM 324 C ILE A 21 -5.841 5.138 12.828 1.00 11.43 C ATOM 325 O ILE A 21 -6.594 6.083 13.034 1.00 24.32 O ATOM 326 CB ILE A 21 -6.511 4.074 10.600 1.00 61.41 C ATOM 327 CG1 ILE A 21 -6.221 4.142 9.091 1.00 2.03 C ATOM 328 CG2 ILE A 21 -7.884 4.668 10.886 1.00 75.04 C ATOM 329 CD1 ILE A 21 -5.037 3.315 8.635 1.00 44.22 C ATOM 0 H ILE A 21 -4.341 2.962 11.406 1.00 35.53 H new ATOM 0 HA ILE A 21 -5.152 5.704 10.881 1.00 21.31 H new ATOM 0 HB ILE A 21 -6.523 3.032 10.919 1.00 61.41 H new ATOM 0 HG12 ILE A 21 -7.107 3.812 8.549 1.00 2.03 H new ATOM 0 HG13 ILE A 21 -6.048 5.182 8.815 1.00 2.03 H new ATOM 0 HG21 ILE A 21 -8.637 4.144 10.297 1.00 75.04 H new ATOM 0 HG22 ILE A 21 -8.113 4.561 11.946 1.00 75.04 H new ATOM 0 HG23 ILE A 21 -7.886 5.725 10.619 1.00 75.04 H new ATOM 0 HD11 ILE A 21 -4.910 3.425 7.558 1.00 44.22 H new ATOM 0 HD12 ILE A 21 -4.136 3.658 9.144 1.00 44.22 H new ATOM 0 HD13 ILE A 21 -5.212 2.266 8.874 1.00 44.22 H new ATOM 341 N ALA A 22 -5.335 4.406 13.812 1.00 33.33 N ATOM 342 CA ALA A 22 -5.627 4.709 15.208 1.00 5.35 C ATOM 343 C ALA A 22 -4.706 5.813 15.722 1.00 11.13 C ATOM 344 O ALA A 22 -4.865 6.303 16.843 1.00 5.42 O ATOM 345 CB ALA A 22 -5.489 3.467 16.070 1.00 60.43 C ATOM 0 H ALA A 22 -4.723 3.602 13.671 1.00 33.33 H new ATOM 0 HA ALA A 22 -6.658 5.058 15.269 1.00 5.35 H new ATOM 0 HB1 ALA A 22 -5.712 3.717 17.107 1.00 60.43 H new ATOM 0 HB2 ALA A 22 -6.186 2.704 15.723 1.00 60.43 H new ATOM 0 HB3 ALA A 22 -4.470 3.086 15.999 1.00 60.43 H new ATOM 351 N GLY A 23 -3.739 6.196 14.897 1.00 15.21 N ATOM 352 CA GLY A 23 -2.804 7.233 15.279 1.00 55.34 C ATOM 353 C GLY A 23 -3.233 8.602 14.790 1.00 70.04 C ATOM 354 O GLY A 23 -3.549 9.482 15.588 1.00 21.33 O ATOM 0 H GLY A 23 -3.587 5.804 13.968 1.00 15.21 H new ATOM 0 HA2 GLY A 23 -2.708 7.251 16.365 1.00 55.34 H new ATOM 0 HA3 GLY A 23 -1.819 6.998 14.876 1.00 55.34 H new ATOM 358 N ARG A 24 -3.251 8.782 13.475 1.00 34.10 N ATOM 359 CA ARG A 24 -3.644 10.049 12.884 1.00 40.33 C ATOM 360 C ARG A 24 -4.226 9.804 11.499 1.00 55.23 C ATOM 361 O ARG A 24 -3.497 9.513 10.549 1.00 52.35 O ATOM 362 CB ARG A 24 -2.437 10.990 12.807 1.00 12.44 C ATOM 363 CG ARG A 24 -2.801 12.467 12.741 1.00 1.44 C ATOM 364 CD ARG A 24 -3.418 12.860 11.405 1.00 13.23 C ATOM 365 NE ARG A 24 -3.909 14.236 11.421 1.00 23.34 N ATOM 366 CZ ARG A 24 -4.314 14.902 10.343 1.00 54.13 C ATOM 367 NH1 ARG A 24 -4.256 14.336 9.140 1.00 55.00 N ATOM 368 NH2 ARG A 24 -4.774 16.139 10.473 1.00 2.42 N ATOM 0 H ARG A 24 -2.997 8.062 12.798 1.00 34.10 H new ATOM 0 HA ARG A 24 -4.404 10.521 13.506 1.00 40.33 H new ATOM 0 HB2 ARG A 24 -1.803 10.822 13.678 1.00 12.44 H new ATOM 0 HB3 ARG A 24 -1.846 10.733 11.928 1.00 12.44 H new ATOM 0 HG2 ARG A 24 -3.501 12.701 13.543 1.00 1.44 H new ATOM 0 HG3 ARG A 24 -1.907 13.066 12.914 1.00 1.44 H new ATOM 0 HD2 ARG A 24 -2.676 12.747 10.614 1.00 13.23 H new ATOM 0 HD3 ARG A 24 -4.239 12.183 11.170 1.00 13.23 H new ATOM 0 HE ARG A 24 -3.944 14.718 12.319 1.00 23.34 H new ATOM 0 HH11 ARG A 24 -3.899 13.386 9.040 1.00 55.00 H new ATOM 0 HH12 ARG A 24 -4.568 14.853 8.318 1.00 55.00 H new ATOM 0 HH21 ARG A 24 -4.815 16.573 11.395 1.00 2.42 H new ATOM 0 HH22 ARG A 24 -5.086 16.656 9.651 1.00 2.42 H new ATOM 382 N TRP A 25 -5.541 9.906 11.395 1.00 55.44 N ATOM 383 CA TRP A 25 -6.225 9.641 10.140 1.00 32.34 C ATOM 384 C TRP A 25 -7.123 10.820 9.749 1.00 72.00 C ATOM 385 O TRP A 25 -7.069 11.296 8.617 1.00 2.44 O ATOM 386 CB TRP A 25 -7.029 8.335 10.281 1.00 21.11 C ATOM 387 CG TRP A 25 -8.275 8.442 11.125 1.00 71.22 C ATOM 388 CD1 TRP A 25 -9.562 8.405 10.675 1.00 12.31 C ATOM 389 CD2 TRP A 25 -8.359 8.666 12.546 1.00 53.30 C ATOM 390 NE1 TRP A 25 -10.436 8.546 11.724 1.00 51.22 N ATOM 391 CE2 TRP A 25 -9.726 8.713 12.879 1.00 45.10 C ATOM 392 CE3 TRP A 25 -7.417 8.816 13.570 1.00 53.31 C ATOM 393 CZ2 TRP A 25 -10.171 8.904 14.184 1.00 44.23 C ATOM 394 CZ3 TRP A 25 -7.861 9.010 14.864 1.00 14.34 C ATOM 395 CH2 TRP A 25 -9.228 9.051 15.161 1.00 3.45 C ATOM 0 H TRP A 25 -6.156 10.170 12.165 1.00 55.44 H new ATOM 0 HA TRP A 25 -5.495 9.523 9.339 1.00 32.34 H new ATOM 0 HB2 TRP A 25 -7.311 7.990 9.286 1.00 21.11 H new ATOM 0 HB3 TRP A 25 -6.381 7.572 10.712 1.00 21.11 H new ATOM 0 HD1 TRP A 25 -9.852 8.282 9.642 1.00 12.31 H new ATOM 0 HE1 TRP A 25 -11.453 8.529 11.652 1.00 51.22 H new ATOM 0 HE3 TRP A 25 -6.360 8.781 13.352 1.00 53.31 H new ATOM 0 HZ2 TRP A 25 -11.225 8.935 14.416 1.00 44.23 H new ATOM 0 HZ3 TRP A 25 -7.141 9.132 15.660 1.00 14.34 H new ATOM 0 HH2 TRP A 25 -9.543 9.202 16.183 1.00 3.45 H new ATOM 406 N LYS A 26 -7.919 11.295 10.715 1.00 32.15 N ATOM 407 CA LYS A 26 -8.799 12.465 10.578 1.00 61.15 C ATOM 408 C LYS A 26 -9.877 12.324 9.480 1.00 51.33 C ATOM 409 O LYS A 26 -10.870 13.046 9.502 1.00 2.13 O ATOM 410 CB LYS A 26 -7.977 13.737 10.355 1.00 70.53 C ATOM 411 CG LYS A 26 -8.713 15.027 10.711 1.00 50.22 C ATOM 412 CD LYS A 26 -9.005 15.137 12.210 1.00 64.34 C ATOM 413 CE LYS A 26 -10.176 14.258 12.638 1.00 15.21 C ATOM 414 NZ LYS A 26 -10.484 14.388 14.086 1.00 43.24 N ATOM 0 H LYS A 26 -7.971 10.865 11.639 1.00 32.15 H new ATOM 0 HA LYS A 26 -9.340 12.534 11.522 1.00 61.15 H new ATOM 0 HB2 LYS A 26 -7.065 13.676 10.949 1.00 70.53 H new ATOM 0 HB3 LYS A 26 -7.673 13.782 9.309 1.00 70.53 H new ATOM 0 HG2 LYS A 26 -8.115 15.882 10.396 1.00 50.22 H new ATOM 0 HG3 LYS A 26 -9.650 15.072 10.157 1.00 50.22 H new ATOM 0 HD2 LYS A 26 -8.116 14.853 12.773 1.00 64.34 H new ATOM 0 HD3 LYS A 26 -9.223 16.175 12.460 1.00 64.34 H new ATOM 0 HE2 LYS A 26 -11.058 14.525 12.056 1.00 15.21 H new ATOM 0 HE3 LYS A 26 -9.947 13.217 12.410 1.00 15.21 H new ATOM 0 HZ1 LYS A 26 -11.286 13.772 14.327 1.00 43.24 H new ATOM 0 HZ2 LYS A 26 -9.652 14.108 14.644 1.00 43.24 H new ATOM 0 HZ3 LYS A 26 -10.729 15.375 14.301 1.00 43.24 H new ATOM 428 N HIS A 27 -9.692 11.403 8.544 1.00 5.43 N ATOM 429 CA HIS A 27 -10.626 11.211 7.437 1.00 70.13 C ATOM 430 C HIS A 27 -10.861 9.725 7.230 1.00 71.41 C ATOM 431 O HIS A 27 -10.194 9.079 6.418 1.00 4.55 O ATOM 432 CB HIS A 27 -10.104 11.840 6.138 1.00 74.40 C ATOM 433 CG HIS A 27 -9.953 13.330 6.193 1.00 42.15 C ATOM 434 ND1 HIS A 27 -8.805 13.981 5.797 1.00 23.40 N ATOM 435 CD2 HIS A 27 -10.812 14.300 6.590 1.00 61.01 C ATOM 436 CE1 HIS A 27 -8.961 15.280 5.953 1.00 34.54 C ATOM 437 NE2 HIS A 27 -10.169 15.503 6.431 1.00 32.22 N ATOM 0 H HIS A 27 -8.894 10.768 8.528 1.00 5.43 H new ATOM 0 HA HIS A 27 -11.562 11.707 7.692 1.00 70.13 H new ATOM 0 HB2 HIS A 27 -9.138 11.397 5.896 1.00 74.40 H new ATOM 0 HB3 HIS A 27 -10.784 11.585 5.325 1.00 74.40 H new ATOM 0 HD2 HIS A 27 -11.815 14.154 6.962 1.00 61.01 H new ATOM 0 HE1 HIS A 27 -8.223 16.035 5.727 1.00 34.54 H new ATOM 0 HE2 HIS A 27 -10.562 16.419 6.647 1.00 32.22 H new ATOM 446 N PRO A 28 -11.801 9.167 7.993 1.00 31.12 N ATOM 447 CA PRO A 28 -12.050 7.722 8.039 1.00 14.21 C ATOM 448 C PRO A 28 -12.551 7.158 6.715 1.00 42.20 C ATOM 449 O PRO A 28 -12.099 6.101 6.276 1.00 52.23 O ATOM 450 CB PRO A 28 -13.129 7.582 9.118 1.00 11.02 C ATOM 451 CG PRO A 28 -13.071 8.857 9.886 1.00 11.02 C ATOM 452 CD PRO A 28 -12.702 9.901 8.887 1.00 11.14 C ATOM 0 HA PRO A 28 -11.135 7.167 8.247 1.00 14.21 H new ATOM 0 HB2 PRO A 28 -14.114 7.432 8.675 1.00 11.02 H new ATOM 0 HB3 PRO A 28 -12.935 6.724 9.762 1.00 11.02 H new ATOM 0 HG2 PRO A 28 -14.031 9.080 10.352 1.00 11.02 H new ATOM 0 HG3 PRO A 28 -12.334 8.801 10.687 1.00 11.02 H new ATOM 0 HD2 PRO A 28 -13.574 10.287 8.359 1.00 11.14 H new ATOM 0 HD3 PRO A 28 -12.208 10.754 9.353 1.00 11.14 H new ATOM 460 N ASN A 29 -13.467 7.873 6.071 1.00 24.05 N ATOM 461 CA ASN A 29 -14.072 7.396 4.829 1.00 61.02 C ATOM 462 C ASN A 29 -13.025 7.263 3.727 1.00 32.41 C ATOM 463 O ASN A 29 -13.097 6.359 2.895 1.00 32.53 O ATOM 464 CB ASN A 29 -15.211 8.322 4.369 1.00 12.24 C ATOM 465 CG ASN A 29 -14.752 9.730 4.022 1.00 21.42 C ATOM 466 OD1 ASN A 29 -13.840 10.281 4.644 1.00 41.45 O ATOM 467 ND2 ASN A 29 -15.373 10.314 3.009 1.00 50.43 N ATOM 0 H ASN A 29 -13.807 8.782 6.385 1.00 24.05 H new ATOM 0 HA ASN A 29 -14.493 6.411 5.030 1.00 61.02 H new ATOM 0 HB2 ASN A 29 -15.695 7.882 3.497 1.00 12.24 H new ATOM 0 HB3 ASN A 29 -15.962 8.378 5.157 1.00 12.24 H new ATOM 0 HD21 ASN A 29 -15.102 11.253 2.718 1.00 50.43 H new ATOM 0 HD22 ASN A 29 -16.123 9.825 2.520 1.00 50.43 H new ATOM 474 N ILE A 30 -12.042 8.155 3.741 1.00 64.34 N ATOM 475 CA ILE A 30 -10.974 8.131 2.753 1.00 50.22 C ATOM 476 C ILE A 30 -10.038 6.950 2.991 1.00 1.34 C ATOM 477 O ILE A 30 -9.816 6.131 2.100 1.00 54.22 O ATOM 478 CB ILE A 30 -10.161 9.447 2.769 1.00 41.30 C ATOM 479 CG1 ILE A 30 -11.059 10.626 2.383 1.00 12.22 C ATOM 480 CG2 ILE A 30 -8.965 9.354 1.829 1.00 12.21 C ATOM 481 CD1 ILE A 30 -10.340 11.959 2.347 1.00 74.21 C ATOM 0 H ILE A 30 -11.964 8.905 4.428 1.00 64.34 H new ATOM 0 HA ILE A 30 -11.443 8.023 1.775 1.00 50.22 H new ATOM 0 HB ILE A 30 -9.785 9.610 3.779 1.00 41.30 H new ATOM 0 HG12 ILE A 30 -11.495 10.433 1.403 1.00 12.22 H new ATOM 0 HG13 ILE A 30 -11.885 10.689 3.092 1.00 12.22 H new ATOM 0 HG21 ILE A 30 -8.407 10.290 1.856 1.00 12.21 H new ATOM 0 HG22 ILE A 30 -8.317 8.536 2.145 1.00 12.21 H new ATOM 0 HG23 ILE A 30 -9.314 9.169 0.813 1.00 12.21 H new ATOM 0 HD11 ILE A 30 -11.042 12.744 2.066 1.00 74.21 H new ATOM 0 HD12 ILE A 30 -9.928 12.177 3.332 1.00 74.21 H new ATOM 0 HD13 ILE A 30 -9.532 11.917 1.617 1.00 74.21 H new ATOM 493 N VAL A 31 -9.515 6.850 4.206 1.00 1.13 N ATOM 494 CA VAL A 31 -8.531 5.824 4.523 1.00 42.24 C ATOM 495 C VAL A 31 -9.127 4.418 4.456 1.00 23.33 C ATOM 496 O VAL A 31 -8.447 3.471 4.063 1.00 72.02 O ATOM 497 CB VAL A 31 -7.886 6.050 5.911 1.00 42.31 C ATOM 498 CG1 VAL A 31 -7.086 7.342 5.922 1.00 1.30 C ATOM 499 CG2 VAL A 31 -8.934 6.071 7.013 1.00 12.44 C ATOM 0 H VAL A 31 -9.754 7.464 4.985 1.00 1.13 H new ATOM 0 HA VAL A 31 -7.755 5.907 3.762 1.00 42.24 H new ATOM 0 HB VAL A 31 -7.212 5.215 6.103 1.00 42.31 H new ATOM 0 HG11 VAL A 31 -6.639 7.485 6.906 1.00 1.30 H new ATOM 0 HG12 VAL A 31 -6.298 7.289 5.170 1.00 1.30 H new ATOM 0 HG13 VAL A 31 -7.746 8.180 5.698 1.00 1.30 H new ATOM 0 HG21 VAL A 31 -8.447 6.232 7.975 1.00 12.44 H new ATOM 0 HG22 VAL A 31 -9.643 6.878 6.826 1.00 12.44 H new ATOM 0 HG23 VAL A 31 -9.464 5.119 7.029 1.00 12.44 H new ATOM 509 N ARG A 32 -10.399 4.282 4.815 1.00 4.13 N ATOM 510 CA ARG A 32 -11.038 2.972 4.839 1.00 3.14 C ATOM 511 C ARG A 32 -11.263 2.453 3.418 1.00 62.43 C ATOM 512 O ARG A 32 -10.953 1.298 3.113 1.00 52.22 O ATOM 513 CB ARG A 32 -12.370 3.032 5.600 1.00 52.12 C ATOM 514 CG ARG A 32 -12.655 1.791 6.442 1.00 33.04 C ATOM 515 CD ARG A 32 -12.655 0.527 5.603 1.00 64.00 C ATOM 516 NE ARG A 32 -12.749 -0.684 6.417 1.00 0.22 N ATOM 517 CZ ARG A 32 -12.229 -1.856 6.054 1.00 71.21 C ATOM 518 NH1 ARG A 32 -11.569 -1.956 4.905 1.00 53.14 N ATOM 519 NH2 ARG A 32 -12.358 -2.918 6.839 1.00 14.41 N ATOM 0 H ARG A 32 -11.003 5.056 5.091 1.00 4.13 H new ATOM 0 HA ARG A 32 -10.373 2.282 5.358 1.00 3.14 H new ATOM 0 HB2 ARG A 32 -12.368 3.907 6.249 1.00 52.12 H new ATOM 0 HB3 ARG A 32 -13.181 3.168 4.884 1.00 52.12 H new ATOM 0 HG2 ARG A 32 -11.905 1.705 7.228 1.00 33.04 H new ATOM 0 HG3 ARG A 32 -13.621 1.900 6.934 1.00 33.04 H new ATOM 0 HD2 ARG A 32 -13.492 0.558 4.905 1.00 64.00 H new ATOM 0 HD3 ARG A 32 -11.743 0.490 5.007 1.00 64.00 H new ATOM 0 HE ARG A 32 -13.239 -0.629 7.310 1.00 0.22 H new ATOM 0 HH11 ARG A 32 -11.462 -1.138 4.305 1.00 53.14 H new ATOM 0 HH12 ARG A 32 -11.169 -2.851 4.623 1.00 53.14 H new ATOM 0 HH21 ARG A 32 -12.857 -2.840 7.725 1.00 14.41 H new ATOM 0 HH22 ARG A 32 -11.958 -3.813 6.556 1.00 14.41 H new ATOM 533 N SER A 33 -11.787 3.310 2.549 1.00 13.31 N ATOM 534 CA SER A 33 -12.087 2.916 1.178 1.00 44.03 C ATOM 535 C SER A 33 -10.808 2.621 0.400 1.00 0.22 C ATOM 536 O SER A 33 -10.789 1.751 -0.474 1.00 20.01 O ATOM 537 CB SER A 33 -12.898 4.006 0.483 1.00 43.14 C ATOM 538 OG SER A 33 -12.275 5.271 0.625 1.00 30.53 O ATOM 0 H SER A 33 -12.012 4.280 2.769 1.00 13.31 H new ATOM 0 HA SER A 33 -12.679 2.002 1.207 1.00 44.03 H new ATOM 0 HB2 SER A 33 -13.005 3.766 -0.575 1.00 43.14 H new ATOM 0 HB3 SER A 33 -13.902 4.042 0.905 1.00 43.14 H new ATOM 0 HG SER A 33 -12.818 5.839 1.210 1.00 30.53 H new ATOM 544 N ARG A 34 -9.740 3.345 0.734 1.00 31.43 N ATOM 545 CA ARG A 34 -8.429 3.121 0.130 1.00 64.54 C ATOM 546 C ARG A 34 -7.991 1.672 0.311 1.00 22.51 C ATOM 547 O ARG A 34 -7.508 1.035 -0.631 1.00 40.15 O ATOM 548 CB ARG A 34 -7.383 4.039 0.765 1.00 24.53 C ATOM 549 CG ARG A 34 -6.921 5.183 -0.124 1.00 65.50 C ATOM 550 CD ARG A 34 -8.054 6.129 -0.485 1.00 74.53 C ATOM 551 NE ARG A 34 -7.546 7.414 -0.955 1.00 11.32 N ATOM 552 CZ ARG A 34 -8.292 8.351 -1.532 1.00 55.45 C ATOM 553 NH1 ARG A 34 -9.568 8.116 -1.820 1.00 64.22 N ATOM 554 NH2 ARG A 34 -7.755 9.525 -1.837 1.00 54.14 N ATOM 0 H ARG A 34 -9.759 4.096 1.424 1.00 31.43 H new ATOM 0 HA ARG A 34 -8.512 3.342 -0.934 1.00 64.54 H new ATOM 0 HB2 ARG A 34 -7.794 4.455 1.685 1.00 24.53 H new ATOM 0 HB3 ARG A 34 -6.516 3.441 1.045 1.00 24.53 H new ATOM 0 HG2 ARG A 34 -6.134 5.740 0.385 1.00 65.50 H new ATOM 0 HG3 ARG A 34 -6.485 4.777 -1.037 1.00 65.50 H new ATOM 0 HD2 ARG A 34 -8.675 5.677 -1.258 1.00 74.53 H new ATOM 0 HD3 ARG A 34 -8.691 6.284 0.385 1.00 74.53 H new ATOM 0 HE ARG A 34 -6.552 7.606 -0.833 1.00 11.32 H new ATOM 0 HH11 ARG A 34 -9.983 7.211 -1.598 1.00 64.22 H new ATOM 0 HH12 ARG A 34 -10.133 8.841 -2.263 1.00 64.22 H new ATOM 0 HH21 ARG A 34 -6.773 9.706 -1.629 1.00 54.14 H new ATOM 0 HH22 ARG A 34 -8.324 10.246 -2.280 1.00 54.14 H new ATOM 568 N ILE A 35 -8.189 1.162 1.526 1.00 72.25 N ATOM 569 CA ILE A 35 -7.731 -0.173 1.901 1.00 50.32 C ATOM 570 C ILE A 35 -8.256 -1.241 0.948 1.00 25.12 C ATOM 571 O ILE A 35 -7.477 -1.973 0.341 1.00 23.11 O ATOM 572 CB ILE A 35 -8.163 -0.529 3.345 1.00 33.31 C ATOM 573 CG1 ILE A 35 -7.592 0.481 4.344 1.00 51.53 C ATOM 574 CG2 ILE A 35 -7.728 -1.942 3.711 1.00 31.12 C ATOM 575 CD1 ILE A 35 -6.079 0.552 4.353 1.00 13.34 C ATOM 0 H ILE A 35 -8.670 1.661 2.275 1.00 72.25 H new ATOM 0 HA ILE A 35 -6.643 -0.154 1.842 1.00 50.32 H new ATOM 0 HB ILE A 35 -9.251 -0.485 3.391 1.00 33.31 H new ATOM 0 HG12 ILE A 35 -7.990 1.469 4.114 1.00 51.53 H new ATOM 0 HG13 ILE A 35 -7.939 0.223 5.344 1.00 51.53 H new ATOM 0 HG21 ILE A 35 -8.043 -2.167 4.730 1.00 31.12 H new ATOM 0 HG22 ILE A 35 -8.186 -2.653 3.024 1.00 31.12 H new ATOM 0 HG23 ILE A 35 -6.643 -2.018 3.642 1.00 31.12 H new ATOM 0 HD11 ILE A 35 -5.754 1.290 5.086 1.00 13.34 H new ATOM 0 HD12 ILE A 35 -5.670 -0.424 4.614 1.00 13.34 H new ATOM 0 HD13 ILE A 35 -5.722 0.842 3.365 1.00 13.34 H new ATOM 587 N GLU A 36 -9.571 -1.299 0.789 1.00 32.43 N ATOM 588 CA GLU A 36 -10.196 -2.365 0.016 1.00 44.21 C ATOM 589 C GLU A 36 -10.044 -2.142 -1.487 1.00 10.20 C ATOM 590 O GLU A 36 -10.087 -3.094 -2.266 1.00 64.13 O ATOM 591 CB GLU A 36 -11.680 -2.489 0.369 1.00 60.24 C ATOM 592 CG GLU A 36 -11.947 -2.813 1.831 1.00 44.44 C ATOM 593 CD GLU A 36 -11.266 -4.086 2.301 1.00 44.35 C ATOM 594 OE1 GLU A 36 -11.331 -5.109 1.583 1.00 51.34 O ATOM 595 OE2 GLU A 36 -10.684 -4.075 3.406 1.00 44.33 O ATOM 0 H GLU A 36 -10.225 -0.623 1.184 1.00 32.43 H new ATOM 0 HA GLU A 36 -9.683 -3.291 0.276 1.00 44.21 H new ATOM 0 HB2 GLU A 36 -12.181 -1.554 0.118 1.00 60.24 H new ATOM 0 HB3 GLU A 36 -12.126 -3.266 -0.251 1.00 60.24 H new ATOM 0 HG2 GLU A 36 -11.609 -1.980 2.448 1.00 44.44 H new ATOM 0 HG3 GLU A 36 -13.022 -2.907 1.984 1.00 44.44 H new ATOM 602 N LYS A 37 -9.852 -0.895 -1.897 1.00 72.55 N ATOM 603 CA LYS A 37 -9.830 -0.577 -3.317 1.00 72.33 C ATOM 604 C LYS A 37 -8.449 -0.752 -3.939 1.00 63.24 C ATOM 605 O LYS A 37 -8.278 -1.554 -4.858 1.00 54.21 O ATOM 606 CB LYS A 37 -10.311 0.852 -3.555 1.00 61.42 C ATOM 607 CG LYS A 37 -10.118 1.296 -4.989 1.00 32.15 C ATOM 608 CD LYS A 37 -10.706 2.661 -5.260 1.00 13.34 C ATOM 609 CE LYS A 37 -10.265 3.140 -6.626 1.00 73.42 C ATOM 610 NZ LYS A 37 -11.085 4.273 -7.126 1.00 31.14 N ATOM 0 H LYS A 37 -9.711 -0.098 -1.276 1.00 72.55 H new ATOM 0 HA LYS A 37 -10.505 -1.284 -3.800 1.00 72.33 H new ATOM 0 HB2 LYS A 37 -11.367 0.925 -3.294 1.00 61.42 H new ATOM 0 HB3 LYS A 37 -9.772 1.529 -2.892 1.00 61.42 H new ATOM 0 HG2 LYS A 37 -9.053 1.311 -5.220 1.00 32.15 H new ATOM 0 HG3 LYS A 37 -10.579 0.567 -5.656 1.00 32.15 H new ATOM 0 HD2 LYS A 37 -11.794 2.616 -5.213 1.00 13.34 H new ATOM 0 HD3 LYS A 37 -10.383 3.366 -4.494 1.00 13.34 H new ATOM 0 HE2 LYS A 37 -9.220 3.445 -6.580 1.00 73.42 H new ATOM 0 HE3 LYS A 37 -10.325 2.313 -7.334 1.00 73.42 H new ATOM 0 HZ1 LYS A 37 -10.742 4.563 -8.064 1.00 31.14 H new ATOM 0 HZ2 LYS A 37 -12.079 3.977 -7.197 1.00 31.14 H new ATOM 0 HZ3 LYS A 37 -11.009 5.074 -6.467 1.00 31.14 H new ATOM 624 N ASP A 38 -7.466 -0.015 -3.446 1.00 12.34 N ATOM 625 CA ASP A 38 -6.160 0.001 -4.097 1.00 12.41 C ATOM 626 C ASP A 38 -5.047 -0.537 -3.200 1.00 12.03 C ATOM 627 O ASP A 38 -4.103 -1.149 -3.698 1.00 14.24 O ATOM 628 CB ASP A 38 -5.823 1.414 -4.564 1.00 21.43 C ATOM 629 CG ASP A 38 -4.718 1.420 -5.599 1.00 10.40 C ATOM 630 OD1 ASP A 38 -4.957 0.920 -6.723 1.00 3.43 O ATOM 631 OD2 ASP A 38 -3.616 1.905 -5.292 1.00 40.25 O ATOM 0 H ASP A 38 -7.541 0.570 -2.614 1.00 12.34 H new ATOM 0 HA ASP A 38 -6.225 -0.665 -4.958 1.00 12.41 H new ATOM 0 HB2 ASP A 38 -6.715 1.880 -4.983 1.00 21.43 H new ATOM 0 HB3 ASP A 38 -5.521 2.017 -3.707 1.00 21.43 H new ATOM 636 N ILE A 39 -5.165 -0.326 -1.883 1.00 55.24 N ATOM 637 CA ILE A 39 -4.150 -0.797 -0.930 1.00 3.15 C ATOM 638 C ILE A 39 -3.888 -2.294 -1.105 1.00 23.14 C ATOM 639 O ILE A 39 -2.755 -2.762 -0.977 1.00 14.33 O ATOM 640 CB ILE A 39 -4.563 -0.500 0.535 1.00 54.44 C ATOM 641 CG1 ILE A 39 -4.578 1.012 0.791 1.00 24.13 C ATOM 642 CG2 ILE A 39 -3.636 -1.200 1.524 1.00 22.24 C ATOM 643 CD1 ILE A 39 -3.236 1.685 0.591 1.00 54.43 C ATOM 0 H ILE A 39 -5.949 0.165 -1.454 1.00 55.24 H new ATOM 0 HA ILE A 39 -3.231 -0.251 -1.143 1.00 3.15 H new ATOM 0 HB ILE A 39 -5.569 -0.891 0.686 1.00 54.44 H new ATOM 0 HG12 ILE A 39 -5.308 1.475 0.127 1.00 24.13 H new ATOM 0 HG13 ILE A 39 -4.915 1.194 1.811 1.00 24.13 H new ATOM 0 HG21 ILE A 39 -3.952 -0.972 2.542 1.00 22.24 H new ATOM 0 HG22 ILE A 39 -3.679 -2.277 1.363 1.00 22.24 H new ATOM 0 HG23 ILE A 39 -2.614 -0.851 1.374 1.00 22.24 H new ATOM 0 HD11 ILE A 39 -3.331 2.752 0.791 1.00 54.43 H new ATOM 0 HD12 ILE A 39 -2.506 1.251 1.274 1.00 54.43 H new ATOM 0 HD13 ILE A 39 -2.904 1.537 -0.437 1.00 54.43 H new ATOM 655 N LYS A 40 -4.945 -3.035 -1.401 1.00 53.13 N ATOM 656 CA LYS A 40 -4.824 -4.439 -1.771 1.00 53.02 C ATOM 657 C LYS A 40 -5.010 -4.580 -3.288 1.00 70.33 C ATOM 658 O LYS A 40 -6.118 -4.815 -3.775 1.00 65.45 O ATOM 659 CB LYS A 40 -5.843 -5.281 -0.982 1.00 60.41 C ATOM 660 CG LYS A 40 -7.262 -4.732 -1.040 1.00 14.44 C ATOM 661 CD LYS A 40 -8.064 -5.073 0.209 1.00 33.25 C ATOM 662 CE LYS A 40 -8.371 -6.556 0.315 1.00 4.41 C ATOM 663 NZ LYS A 40 -9.278 -6.842 1.460 1.00 12.02 N ATOM 0 H LYS A 40 -5.903 -2.685 -1.392 1.00 53.13 H new ATOM 0 HA LYS A 40 -3.832 -4.811 -1.517 1.00 53.02 H new ATOM 0 HB2 LYS A 40 -5.840 -6.299 -1.372 1.00 60.41 H new ATOM 0 HB3 LYS A 40 -5.526 -5.337 0.059 1.00 60.41 H new ATOM 0 HG2 LYS A 40 -7.226 -3.649 -1.162 1.00 14.44 H new ATOM 0 HG3 LYS A 40 -7.770 -5.135 -1.917 1.00 14.44 H new ATOM 0 HD2 LYS A 40 -7.508 -4.756 1.092 1.00 33.25 H new ATOM 0 HD3 LYS A 40 -8.998 -4.511 0.202 1.00 33.25 H new ATOM 0 HE2 LYS A 40 -8.831 -6.901 -0.611 1.00 4.41 H new ATOM 0 HE3 LYS A 40 -7.442 -7.114 0.436 1.00 4.41 H new ATOM 0 HZ1 LYS A 40 -9.860 -7.676 1.242 1.00 12.02 H new ATOM 0 HZ2 LYS A 40 -8.713 -7.028 2.313 1.00 12.02 H new ATOM 0 HZ3 LYS A 40 -9.896 -6.022 1.626 1.00 12.02 H new ATOM 677 N PRO A 41 -3.923 -4.397 -4.064 1.00 4.51 N ATOM 678 CA PRO A 41 -3.991 -4.317 -5.526 1.00 51.21 C ATOM 679 C PRO A 41 -4.277 -5.661 -6.177 1.00 54.54 C ATOM 680 O PRO A 41 -5.235 -5.797 -6.935 1.00 25.23 O ATOM 681 CB PRO A 41 -2.597 -3.817 -5.938 1.00 63.45 C ATOM 682 CG PRO A 41 -1.911 -3.428 -4.668 1.00 54.02 C ATOM 683 CD PRO A 41 -2.543 -4.251 -3.586 1.00 72.32 C ATOM 0 HA PRO A 41 -4.804 -3.665 -5.846 1.00 51.21 H new ATOM 0 HB2 PRO A 41 -2.041 -4.596 -6.460 1.00 63.45 H new ATOM 0 HB3 PRO A 41 -2.671 -2.968 -6.618 1.00 63.45 H new ATOM 0 HG2 PRO A 41 -0.840 -3.620 -4.729 1.00 54.02 H new ATOM 0 HG3 PRO A 41 -2.033 -2.363 -4.469 1.00 54.02 H new ATOM 0 HD2 PRO A 41 -2.050 -5.216 -3.469 1.00 72.32 H new ATOM 0 HD3 PRO A 41 -2.499 -3.752 -2.618 1.00 72.32 H new ATOM 691 N ALA A 42 -3.441 -6.643 -5.872 1.00 22.33 N ATOM 692 CA ALA A 42 -3.574 -7.984 -6.429 1.00 43.33 C ATOM 693 C ALA A 42 -2.697 -8.947 -5.654 1.00 34.40 C ATOM 694 O ALA A 42 -3.029 -10.114 -5.475 1.00 14.02 O ATOM 695 CB ALA A 42 -3.206 -8.002 -7.908 1.00 25.24 C ATOM 0 H ALA A 42 -2.653 -6.535 -5.233 1.00 22.33 H new ATOM 0 HA ALA A 42 -4.615 -8.295 -6.341 1.00 43.33 H new ATOM 0 HB1 ALA A 42 -3.314 -9.014 -8.298 1.00 25.24 H new ATOM 0 HB2 ALA A 42 -3.867 -7.330 -8.456 1.00 25.24 H new ATOM 0 HB3 ALA A 42 -2.173 -7.675 -8.030 1.00 25.24 H new ATOM 701 N ILE A 43 -1.577 -8.428 -5.181 1.00 3.21 N ATOM 702 CA ILE A 43 -0.660 -9.186 -4.345 1.00 73.51 C ATOM 703 C ILE A 43 -1.132 -9.219 -2.891 1.00 44.42 C ATOM 704 O ILE A 43 -0.331 -9.415 -1.982 1.00 14.51 O ATOM 705 CB ILE A 43 0.751 -8.573 -4.401 1.00 15.21 C ATOM 706 CG1 ILE A 43 0.659 -7.048 -4.273 1.00 14.12 C ATOM 707 CG2 ILE A 43 1.450 -8.970 -5.694 1.00 13.42 C ATOM 708 CD1 ILE A 43 1.987 -6.371 -4.012 1.00 73.15 C ATOM 0 H ILE A 43 -1.277 -7.471 -5.365 1.00 3.21 H new ATOM 0 HA ILE A 43 -0.634 -10.205 -4.730 1.00 73.51 H new ATOM 0 HB ILE A 43 1.341 -8.956 -3.569 1.00 15.21 H new ATOM 0 HG12 ILE A 43 0.230 -6.642 -5.189 1.00 14.12 H new ATOM 0 HG13 ILE A 43 -0.028 -6.802 -3.463 1.00 14.12 H new ATOM 0 HG21 ILE A 43 2.447 -8.529 -5.719 1.00 13.42 H new ATOM 0 HG22 ILE A 43 1.532 -10.056 -5.745 1.00 13.42 H new ATOM 0 HG23 ILE A 43 0.872 -8.610 -6.545 1.00 13.42 H new ATOM 0 HD11 ILE A 43 1.837 -5.294 -3.934 1.00 73.15 H new ATOM 0 HD12 ILE A 43 2.410 -6.747 -3.080 1.00 73.15 H new ATOM 0 HD13 ILE A 43 2.671 -6.584 -4.833 1.00 73.15 H new ATOM 720 N GLY A 44 -2.435 -9.047 -2.679 1.00 10.44 N ATOM 721 CA GLY A 44 -2.979 -9.056 -1.334 1.00 33.24 C ATOM 722 C GLY A 44 -2.842 -10.418 -0.691 1.00 4.04 C ATOM 723 O GLY A 44 -2.568 -10.532 0.504 1.00 40.55 O ATOM 0 H GLY A 44 -3.124 -8.901 -3.417 1.00 10.44 H new ATOM 0 HA2 GLY A 44 -2.463 -8.312 -0.727 1.00 33.24 H new ATOM 0 HA3 GLY A 44 -4.030 -8.770 -1.364 1.00 33.24 H new ATOM 727 N SER A 45 -2.996 -11.454 -1.504 1.00 60.13 N ATOM 728 CA SER A 45 -2.854 -12.827 -1.044 1.00 4.04 C ATOM 729 C SER A 45 -1.375 -13.237 -1.028 1.00 64.11 C ATOM 730 O SER A 45 -1.039 -14.423 -1.024 1.00 62.10 O ATOM 731 CB SER A 45 -3.656 -13.753 -1.960 1.00 63.54 C ATOM 732 OG SER A 45 -4.965 -13.245 -2.172 1.00 22.41 O ATOM 0 H SER A 45 -3.222 -11.367 -2.495 1.00 60.13 H new ATOM 0 HA SER A 45 -3.238 -12.907 -0.027 1.00 4.04 H new ATOM 0 HB2 SER A 45 -3.143 -13.859 -2.916 1.00 63.54 H new ATOM 0 HB3 SER A 45 -3.715 -14.748 -1.518 1.00 63.54 H new ATOM 0 HG SER A 45 -5.460 -13.852 -2.762 1.00 22.41 H new ATOM 738 N LEU A 46 -0.504 -12.238 -1.012 1.00 4.24 N ATOM 739 CA LEU A 46 0.933 -12.452 -0.972 1.00 75.31 C ATOM 740 C LEU A 46 1.503 -11.783 0.279 1.00 23.41 C ATOM 741 O LEU A 46 0.851 -10.919 0.873 1.00 63.02 O ATOM 742 CB LEU A 46 1.571 -11.880 -2.243 1.00 62.40 C ATOM 743 CG LEU A 46 3.048 -12.206 -2.457 1.00 21.31 C ATOM 744 CD1 LEU A 46 3.249 -13.707 -2.580 1.00 72.22 C ATOM 745 CD2 LEU A 46 3.567 -11.496 -3.697 1.00 54.54 C ATOM 0 H LEU A 46 -0.776 -11.255 -1.026 1.00 4.24 H new ATOM 0 HA LEU A 46 1.155 -13.518 -0.929 1.00 75.31 H new ATOM 0 HB2 LEU A 46 1.010 -12.246 -3.103 1.00 62.40 H new ATOM 0 HB3 LEU A 46 1.458 -10.796 -2.226 1.00 62.40 H new ATOM 0 HG LEU A 46 3.611 -11.855 -1.593 1.00 21.31 H new ATOM 0 HD11 LEU A 46 4.307 -13.921 -2.732 1.00 72.22 H new ATOM 0 HD12 LEU A 46 2.907 -14.196 -1.668 1.00 72.22 H new ATOM 0 HD13 LEU A 46 2.677 -14.082 -3.429 1.00 72.22 H new ATOM 0 HD21 LEU A 46 4.621 -11.736 -3.839 1.00 54.54 H new ATOM 0 HD22 LEU A 46 2.999 -11.823 -4.568 1.00 54.54 H new ATOM 0 HD23 LEU A 46 3.453 -10.419 -3.574 1.00 54.54 H new ATOM 757 N LYS A 47 2.700 -12.181 0.691 1.00 23.23 N ATOM 758 CA LYS A 47 3.285 -11.654 1.916 1.00 10.44 C ATOM 759 C LYS A 47 4.014 -10.344 1.668 1.00 5.22 C ATOM 760 O LYS A 47 4.152 -9.890 0.534 1.00 51.03 O ATOM 761 CB LYS A 47 4.261 -12.645 2.545 1.00 4.32 C ATOM 762 CG LYS A 47 3.626 -13.936 3.020 1.00 4.31 C ATOM 763 CD LYS A 47 4.620 -14.761 3.817 1.00 33.04 C ATOM 764 CE LYS A 47 5.915 -14.959 3.046 1.00 14.14 C ATOM 765 NZ LYS A 47 6.905 -15.761 3.811 1.00 41.33 N ATOM 0 H LYS A 47 3.280 -12.861 0.200 1.00 23.23 H new ATOM 0 HA LYS A 47 2.455 -11.482 2.601 1.00 10.44 H new ATOM 0 HB2 LYS A 47 5.037 -12.883 1.818 1.00 4.32 H new ATOM 0 HB3 LYS A 47 4.753 -12.164 3.390 1.00 4.32 H new ATOM 0 HG2 LYS A 47 2.754 -13.713 3.635 1.00 4.31 H new ATOM 0 HG3 LYS A 47 3.273 -14.510 2.163 1.00 4.31 H new ATOM 0 HD2 LYS A 47 4.830 -14.265 4.765 1.00 33.04 H new ATOM 0 HD3 LYS A 47 4.183 -15.731 4.055 1.00 33.04 H new ATOM 0 HE2 LYS A 47 5.701 -15.456 2.100 1.00 14.14 H new ATOM 0 HE3 LYS A 47 6.345 -13.987 2.805 1.00 14.14 H new ATOM 0 HZ1 LYS A 47 7.591 -16.184 3.154 1.00 41.33 H new ATOM 0 HZ2 LYS A 47 7.405 -15.145 4.484 1.00 41.33 H new ATOM 0 HZ3 LYS A 47 6.413 -16.515 4.331 1.00 41.33 H new ATOM 779 N VAL A 48 4.512 -9.769 2.749 1.00 11.34 N ATOM 780 CA VAL A 48 5.209 -8.492 2.694 1.00 14.31 C ATOM 781 C VAL A 48 6.654 -8.701 2.250 1.00 4.02 C ATOM 782 O VAL A 48 7.290 -7.808 1.699 1.00 21.30 O ATOM 783 CB VAL A 48 5.184 -7.789 4.069 1.00 23.14 C ATOM 784 CG1 VAL A 48 5.692 -6.358 3.963 1.00 31.42 C ATOM 785 CG2 VAL A 48 3.781 -7.817 4.661 1.00 14.15 C ATOM 0 H VAL A 48 4.446 -10.170 3.685 1.00 11.34 H new ATOM 0 HA VAL A 48 4.696 -7.858 1.971 1.00 14.31 H new ATOM 0 HB VAL A 48 5.851 -8.334 4.736 1.00 23.14 H new ATOM 0 HG11 VAL A 48 5.663 -5.888 4.946 1.00 31.42 H new ATOM 0 HG12 VAL A 48 6.717 -6.362 3.593 1.00 31.42 H new ATOM 0 HG13 VAL A 48 5.060 -5.798 3.274 1.00 31.42 H new ATOM 0 HG21 VAL A 48 3.785 -7.317 5.629 1.00 14.15 H new ATOM 0 HG22 VAL A 48 3.093 -7.303 3.990 1.00 14.15 H new ATOM 0 HG23 VAL A 48 3.460 -8.851 4.788 1.00 14.15 H new ATOM 795 N GLU A 49 7.157 -9.905 2.485 1.00 33.12 N ATOM 796 CA GLU A 49 8.525 -10.259 2.123 1.00 14.45 C ATOM 797 C GLU A 49 8.682 -10.357 0.608 1.00 53.40 C ATOM 798 O GLU A 49 9.793 -10.295 0.079 1.00 63.42 O ATOM 799 CB GLU A 49 8.894 -11.602 2.752 1.00 21.25 C ATOM 800 CG GLU A 49 8.733 -11.637 4.259 1.00 40.13 C ATOM 801 CD GLU A 49 8.935 -13.024 4.827 1.00 0.23 C ATOM 802 OE1 GLU A 49 10.095 -13.469 4.924 1.00 31.40 O ATOM 803 OE2 GLU A 49 7.929 -13.676 5.188 1.00 2.50 O ATOM 0 H GLU A 49 6.634 -10.660 2.929 1.00 33.12 H new ATOM 0 HA GLU A 49 9.188 -9.477 2.495 1.00 14.45 H new ATOM 0 HB2 GLU A 49 8.273 -12.382 2.311 1.00 21.25 H new ATOM 0 HB3 GLU A 49 9.928 -11.838 2.501 1.00 21.25 H new ATOM 0 HG2 GLU A 49 9.449 -10.953 4.714 1.00 40.13 H new ATOM 0 HG3 GLU A 49 7.738 -11.280 4.524 1.00 40.13 H new ATOM 810 N ASP A 50 7.560 -10.505 -0.080 1.00 22.03 N ATOM 811 CA ASP A 50 7.566 -10.773 -1.511 1.00 54.34 C ATOM 812 C ASP A 50 7.407 -9.499 -2.331 1.00 43.13 C ATOM 813 O ASP A 50 7.712 -9.482 -3.525 1.00 55.32 O ATOM 814 CB ASP A 50 6.447 -11.751 -1.868 1.00 61.42 C ATOM 815 CG ASP A 50 6.643 -13.122 -1.259 1.00 72.33 C ATOM 816 OD1 ASP A 50 6.253 -13.323 -0.088 1.00 55.11 O ATOM 817 OD2 ASP A 50 7.191 -14.009 -1.947 1.00 75.12 O ATOM 0 H ASP A 50 6.629 -10.444 0.332 1.00 22.03 H new ATOM 0 HA ASP A 50 8.534 -11.211 -1.754 1.00 54.34 H new ATOM 0 HB2 ASP A 50 5.494 -11.343 -1.531 1.00 61.42 H new ATOM 0 HB3 ASP A 50 6.388 -11.846 -2.952 1.00 61.42 H new ATOM 822 N VAL A 51 6.937 -8.428 -1.706 1.00 53.32 N ATOM 823 CA VAL A 51 6.701 -7.191 -2.432 1.00 61.15 C ATOM 824 C VAL A 51 7.986 -6.363 -2.545 1.00 54.02 C ATOM 825 O VAL A 51 8.276 -5.487 -1.731 1.00 31.23 O ATOM 826 CB VAL A 51 5.537 -6.360 -1.822 1.00 61.32 C ATOM 827 CG1 VAL A 51 5.763 -6.060 -0.347 1.00 10.22 C ATOM 828 CG2 VAL A 51 5.321 -5.072 -2.606 1.00 33.24 C ATOM 0 H VAL A 51 6.715 -8.391 -0.711 1.00 53.32 H new ATOM 0 HA VAL A 51 6.390 -7.467 -3.440 1.00 61.15 H new ATOM 0 HB VAL A 51 4.635 -6.967 -1.896 1.00 61.32 H new ATOM 0 HG11 VAL A 51 4.926 -5.478 0.038 1.00 10.22 H new ATOM 0 HG12 VAL A 51 5.840 -6.996 0.207 1.00 10.22 H new ATOM 0 HG13 VAL A 51 6.685 -5.491 -0.229 1.00 10.22 H new ATOM 0 HG21 VAL A 51 4.502 -4.508 -2.160 1.00 33.24 H new ATOM 0 HG22 VAL A 51 6.231 -4.473 -2.579 1.00 33.24 H new ATOM 0 HG23 VAL A 51 5.075 -5.313 -3.640 1.00 33.24 H new ATOM 838 N LYS A 52 8.783 -6.696 -3.548 1.00 42.42 N ATOM 839 CA LYS A 52 9.988 -5.941 -3.851 1.00 4.42 C ATOM 840 C LYS A 52 9.626 -4.662 -4.609 1.00 2.32 C ATOM 841 O LYS A 52 8.548 -4.583 -5.201 1.00 11.33 O ATOM 842 CB LYS A 52 10.966 -6.805 -4.657 1.00 35.10 C ATOM 843 CG LYS A 52 10.436 -7.262 -6.006 1.00 34.34 C ATOM 844 CD LYS A 52 11.404 -8.222 -6.681 1.00 35.43 C ATOM 845 CE LYS A 52 11.431 -9.573 -5.980 1.00 3.23 C ATOM 846 NZ LYS A 52 12.483 -10.471 -6.532 1.00 3.31 N ATOM 0 H LYS A 52 8.616 -7.488 -4.169 1.00 42.42 H new ATOM 0 HA LYS A 52 10.478 -5.658 -2.920 1.00 4.42 H new ATOM 0 HB2 LYS A 52 11.886 -6.241 -4.814 1.00 35.10 H new ATOM 0 HB3 LYS A 52 11.227 -7.683 -4.067 1.00 35.10 H new ATOM 0 HG2 LYS A 52 9.470 -7.749 -5.874 1.00 34.34 H new ATOM 0 HG3 LYS A 52 10.272 -6.396 -6.647 1.00 34.34 H new ATOM 0 HD2 LYS A 52 11.116 -8.358 -7.723 1.00 35.43 H new ATOM 0 HD3 LYS A 52 12.405 -7.791 -6.681 1.00 35.43 H new ATOM 0 HE2 LYS A 52 11.605 -9.424 -4.914 1.00 3.23 H new ATOM 0 HE3 LYS A 52 10.457 -10.052 -6.080 1.00 3.23 H new ATOM 0 HZ1 LYS A 52 12.465 -11.379 -6.025 1.00 3.31 H new ATOM 0 HZ2 LYS A 52 12.304 -10.635 -7.543 1.00 3.31 H new ATOM 0 HZ3 LYS A 52 13.416 -10.027 -6.413 1.00 3.31 H new ATOM 860 N PRO A 53 10.517 -3.650 -4.586 1.00 3.34 N ATOM 861 CA PRO A 53 10.293 -2.342 -5.227 1.00 75.31 C ATOM 862 C PRO A 53 9.676 -2.421 -6.627 1.00 23.43 C ATOM 863 O PRO A 53 8.813 -1.614 -6.975 1.00 61.23 O ATOM 864 CB PRO A 53 11.700 -1.760 -5.305 1.00 4.51 C ATOM 865 CG PRO A 53 12.403 -2.323 -4.121 1.00 41.31 C ATOM 866 CD PRO A 53 11.825 -3.696 -3.900 1.00 54.33 C ATOM 0 HA PRO A 53 9.576 -1.747 -4.661 1.00 75.31 H new ATOM 0 HB2 PRO A 53 12.196 -2.044 -6.233 1.00 4.51 H new ATOM 0 HB3 PRO A 53 11.681 -0.671 -5.274 1.00 4.51 H new ATOM 0 HG2 PRO A 53 13.477 -2.377 -4.296 1.00 41.31 H new ATOM 0 HG3 PRO A 53 12.254 -1.693 -3.244 1.00 41.31 H new ATOM 0 HD2 PRO A 53 12.467 -4.471 -4.318 1.00 54.33 H new ATOM 0 HD3 PRO A 53 11.711 -3.915 -2.838 1.00 54.33 H new ATOM 874 N ARG A 54 10.109 -3.395 -7.422 1.00 42.01 N ATOM 875 CA ARG A 54 9.599 -3.555 -8.783 1.00 62.14 C ATOM 876 C ARG A 54 8.096 -3.815 -8.811 1.00 32.43 C ATOM 877 O ARG A 54 7.420 -3.480 -9.784 1.00 11.53 O ATOM 878 CB ARG A 54 10.343 -4.667 -9.515 1.00 22.31 C ATOM 879 CG ARG A 54 11.580 -4.165 -10.231 1.00 74.41 C ATOM 880 CD ARG A 54 11.209 -3.059 -11.206 1.00 14.33 C ATOM 881 NE ARG A 54 12.372 -2.501 -11.891 1.00 44.23 N ATOM 882 CZ ARG A 54 12.312 -1.490 -12.760 1.00 71.34 C ATOM 883 NH1 ARG A 54 11.135 -0.974 -13.108 1.00 21.54 N ATOM 884 NH2 ARG A 54 13.426 -1.003 -13.293 1.00 21.32 N ATOM 0 H ARG A 54 10.810 -4.084 -7.150 1.00 42.01 H new ATOM 0 HA ARG A 54 9.776 -2.612 -9.299 1.00 62.14 H new ATOM 0 HB2 ARG A 54 10.629 -5.439 -8.801 1.00 22.31 H new ATOM 0 HB3 ARG A 54 9.673 -5.133 -10.238 1.00 22.31 H new ATOM 0 HG2 ARG A 54 12.303 -3.793 -9.505 1.00 74.41 H new ATOM 0 HG3 ARG A 54 12.058 -4.986 -10.765 1.00 74.41 H new ATOM 0 HD2 ARG A 54 10.510 -3.451 -11.945 1.00 14.33 H new ATOM 0 HD3 ARG A 54 10.692 -2.264 -10.668 1.00 14.33 H new ATOM 0 HE ARG A 54 13.286 -2.909 -11.693 1.00 44.23 H new ATOM 0 HH11 ARG A 54 10.275 -1.351 -12.710 1.00 21.54 H new ATOM 0 HH12 ARG A 54 11.093 -0.201 -13.773 1.00 21.54 H new ATOM 0 HH21 ARG A 54 14.330 -1.402 -13.039 1.00 21.32 H new ATOM 0 HH22 ARG A 54 13.378 -0.230 -13.957 1.00 21.32 H new ATOM 898 N HIS A 55 7.570 -4.397 -7.745 1.00 20.45 N ATOM 899 CA HIS A 55 6.131 -4.617 -7.641 1.00 43.41 C ATOM 900 C HIS A 55 5.417 -3.286 -7.471 1.00 44.32 C ATOM 901 O HIS A 55 4.331 -3.082 -8.006 1.00 25.23 O ATOM 902 CB HIS A 55 5.777 -5.552 -6.480 1.00 61.22 C ATOM 903 CG HIS A 55 6.173 -6.977 -6.709 1.00 73.13 C ATOM 904 ND1 HIS A 55 5.867 -7.672 -7.858 1.00 61.10 N ATOM 905 CD2 HIS A 55 6.864 -7.838 -5.931 1.00 13.32 C ATOM 906 CE1 HIS A 55 6.353 -8.893 -7.775 1.00 1.20 C ATOM 907 NE2 HIS A 55 6.963 -9.020 -6.616 1.00 0.03 N ATOM 0 H HIS A 55 8.110 -4.724 -6.944 1.00 20.45 H new ATOM 0 HA HIS A 55 5.802 -5.097 -8.562 1.00 43.41 H new ATOM 0 HB2 HIS A 55 6.263 -5.191 -5.574 1.00 61.22 H new ATOM 0 HB3 HIS A 55 4.702 -5.507 -6.305 1.00 61.22 H new ATOM 0 HD2 HIS A 55 7.265 -7.632 -4.949 1.00 13.32 H new ATOM 0 HE1 HIS A 55 6.266 -9.660 -8.530 1.00 1.20 H new ATOM 0 HE2 HIS A 55 7.433 -9.861 -6.282 1.00 0.03 H new ATOM 916 N ILE A 56 6.047 -2.376 -6.737 1.00 31.41 N ATOM 917 CA ILE A 56 5.499 -1.043 -6.537 1.00 70.30 C ATOM 918 C ILE A 56 5.471 -0.294 -7.867 1.00 45.14 C ATOM 919 O ILE A 56 4.520 0.417 -8.174 1.00 71.44 O ATOM 920 CB ILE A 56 6.322 -0.239 -5.502 1.00 24.51 C ATOM 921 CG1 ILE A 56 6.439 -1.017 -4.186 1.00 20.21 C ATOM 922 CG2 ILE A 56 5.696 1.128 -5.254 1.00 45.52 C ATOM 923 CD1 ILE A 56 5.108 -1.300 -3.519 1.00 41.10 C ATOM 0 H ILE A 56 6.939 -2.539 -6.270 1.00 31.41 H new ATOM 0 HA ILE A 56 4.486 -1.150 -6.150 1.00 70.30 H new ATOM 0 HB ILE A 56 7.322 -0.089 -5.909 1.00 24.51 H new ATOM 0 HG12 ILE A 56 6.946 -1.962 -4.378 1.00 20.21 H new ATOM 0 HG13 ILE A 56 7.067 -0.453 -3.496 1.00 20.21 H new ATOM 0 HG21 ILE A 56 6.292 1.674 -4.523 1.00 45.52 H new ATOM 0 HG22 ILE A 56 5.664 1.689 -6.188 1.00 45.52 H new ATOM 0 HG23 ILE A 56 4.683 1.000 -4.873 1.00 45.52 H new ATOM 0 HD11 ILE A 56 5.275 -1.853 -2.595 1.00 41.10 H new ATOM 0 HD12 ILE A 56 4.607 -0.359 -3.293 1.00 41.10 H new ATOM 0 HD13 ILE A 56 4.484 -1.892 -4.189 1.00 41.10 H new ATOM 935 N ASP A 57 6.513 -0.495 -8.664 1.00 52.13 N ATOM 936 CA ASP A 57 6.600 0.103 -9.994 1.00 63.23 C ATOM 937 C ASP A 57 5.458 -0.393 -10.871 1.00 64.13 C ATOM 938 O ASP A 57 4.888 0.359 -11.663 1.00 63.32 O ATOM 939 CB ASP A 57 7.948 -0.244 -10.637 1.00 75.43 C ATOM 940 CG ASP A 57 8.120 0.358 -12.017 1.00 32.24 C ATOM 941 OD1 ASP A 57 8.337 1.585 -12.116 1.00 42.32 O ATOM 942 OD2 ASP A 57 8.059 -0.396 -13.008 1.00 62.34 O ATOM 0 H ASP A 57 7.316 -1.071 -8.412 1.00 52.13 H new ATOM 0 HA ASP A 57 6.521 1.186 -9.898 1.00 63.23 H new ATOM 0 HB2 ASP A 57 8.753 0.107 -9.991 1.00 75.43 H new ATOM 0 HB3 ASP A 57 8.043 -1.328 -10.705 1.00 75.43 H new ATOM 947 N ASP A 58 5.114 -1.662 -10.698 1.00 54.22 N ATOM 948 CA ASP A 58 4.048 -2.282 -11.472 1.00 22.44 C ATOM 949 C ASP A 58 2.676 -1.810 -10.994 1.00 63.11 C ATOM 950 O ASP A 58 1.810 -1.482 -11.808 1.00 15.31 O ATOM 951 CB ASP A 58 4.145 -3.808 -11.384 1.00 50.14 C ATOM 952 CG ASP A 58 3.113 -4.516 -12.244 1.00 33.33 C ATOM 953 OD1 ASP A 58 3.242 -4.481 -13.486 1.00 24.43 O ATOM 954 OD2 ASP A 58 2.180 -5.127 -11.682 1.00 45.53 O ATOM 0 H ASP A 58 5.561 -2.285 -10.025 1.00 54.22 H new ATOM 0 HA ASP A 58 4.166 -1.980 -12.513 1.00 22.44 H new ATOM 0 HB2 ASP A 58 5.143 -4.122 -11.690 1.00 50.14 H new ATOM 0 HB3 ASP A 58 4.019 -4.116 -10.346 1.00 50.14 H new ATOM 959 N VAL A 59 2.481 -1.754 -9.679 1.00 14.44 N ATOM 960 CA VAL A 59 1.191 -1.347 -9.129 1.00 24.13 C ATOM 961 C VAL A 59 0.925 0.140 -9.362 1.00 23.10 C ATOM 962 O VAL A 59 -0.216 0.530 -9.580 1.00 44.53 O ATOM 963 CB VAL A 59 1.042 -1.673 -7.622 1.00 1.24 C ATOM 964 CG1 VAL A 59 1.177 -3.166 -7.377 1.00 3.31 C ATOM 965 CG2 VAL A 59 2.041 -0.899 -6.776 1.00 53.11 C ATOM 0 H VAL A 59 3.190 -1.982 -8.982 1.00 14.44 H new ATOM 0 HA VAL A 59 0.447 -1.934 -9.667 1.00 24.13 H new ATOM 0 HB VAL A 59 0.043 -1.360 -7.319 1.00 1.24 H new ATOM 0 HG11 VAL A 59 1.069 -3.371 -6.312 1.00 3.31 H new ATOM 0 HG12 VAL A 59 0.402 -3.697 -7.929 1.00 3.31 H new ATOM 0 HG13 VAL A 59 2.157 -3.503 -7.714 1.00 3.31 H new ATOM 0 HG21 VAL A 59 1.904 -1.155 -5.726 1.00 53.11 H new ATOM 0 HG22 VAL A 59 3.055 -1.157 -7.083 1.00 53.11 H new ATOM 0 HG23 VAL A 59 1.881 0.171 -6.912 1.00 53.11 H new ATOM 975 N LEU A 60 1.974 0.962 -9.336 1.00 71.42 N ATOM 976 CA LEU A 60 1.828 2.392 -9.611 1.00 41.42 C ATOM 977 C LEU A 60 1.330 2.612 -11.033 1.00 44.21 C ATOM 978 O LEU A 60 0.537 3.515 -11.297 1.00 14.24 O ATOM 979 CB LEU A 60 3.153 3.131 -9.398 1.00 44.31 C ATOM 980 CG LEU A 60 3.608 3.254 -7.941 1.00 11.50 C ATOM 981 CD1 LEU A 60 4.939 3.985 -7.862 1.00 61.22 C ATOM 982 CD2 LEU A 60 2.555 3.974 -7.112 1.00 42.14 C ATOM 0 H LEU A 60 2.928 0.666 -9.129 1.00 71.42 H new ATOM 0 HA LEU A 60 1.094 2.795 -8.913 1.00 41.42 H new ATOM 0 HB2 LEU A 60 3.931 2.617 -9.962 1.00 44.31 H new ATOM 0 HB3 LEU A 60 3.063 4.132 -9.819 1.00 44.31 H new ATOM 0 HG LEU A 60 3.739 2.251 -7.534 1.00 11.50 H new ATOM 0 HD11 LEU A 60 5.249 4.065 -6.820 1.00 61.22 H new ATOM 0 HD12 LEU A 60 5.692 3.432 -8.423 1.00 61.22 H new ATOM 0 HD13 LEU A 60 4.831 4.983 -8.286 1.00 61.22 H new ATOM 0 HD21 LEU A 60 2.896 4.052 -6.080 1.00 42.14 H new ATOM 0 HD22 LEU A 60 2.393 4.973 -7.517 1.00 42.14 H new ATOM 0 HD23 LEU A 60 1.621 3.414 -7.144 1.00 42.14 H new ATOM 994 N LYS A 61 1.795 1.773 -11.944 1.00 73.51 N ATOM 995 CA LYS A 61 1.338 1.791 -13.313 1.00 23.52 C ATOM 996 C LYS A 61 -0.097 1.272 -13.392 1.00 60.12 C ATOM 997 O LYS A 61 -0.934 1.814 -14.119 1.00 34.43 O ATOM 998 CB LYS A 61 2.276 0.917 -14.133 1.00 42.34 C ATOM 999 CG LYS A 61 1.788 0.594 -15.525 1.00 33.33 C ATOM 1000 CD LYS A 61 2.591 -0.552 -16.104 1.00 61.42 C ATOM 1001 CE LYS A 61 2.500 -1.791 -15.226 1.00 41.21 C ATOM 1002 NZ LYS A 61 3.351 -2.899 -15.727 1.00 3.44 N ATOM 0 H LYS A 61 2.500 1.062 -11.749 1.00 73.51 H new ATOM 0 HA LYS A 61 1.345 2.808 -13.706 1.00 23.52 H new ATOM 0 HB2 LYS A 61 3.242 1.417 -14.209 1.00 42.34 H new ATOM 0 HB3 LYS A 61 2.442 -0.017 -13.596 1.00 42.34 H new ATOM 0 HG2 LYS A 61 0.731 0.330 -15.496 1.00 33.33 H new ATOM 0 HG3 LYS A 61 1.880 1.472 -16.164 1.00 33.33 H new ATOM 0 HD2 LYS A 61 2.226 -0.785 -17.104 1.00 61.42 H new ATOM 0 HD3 LYS A 61 3.634 -0.252 -16.207 1.00 61.42 H new ATOM 0 HE2 LYS A 61 2.800 -1.536 -14.210 1.00 41.21 H new ATOM 0 HE3 LYS A 61 1.463 -2.125 -15.178 1.00 41.21 H new ATOM 0 HZ1 LYS A 61 3.323 -3.690 -15.053 1.00 3.44 H new ATOM 0 HZ2 LYS A 61 2.997 -3.218 -16.651 1.00 3.44 H new ATOM 0 HZ3 LYS A 61 4.331 -2.566 -15.829 1.00 3.44 H new ATOM 1016 N ALA A 62 -0.370 0.228 -12.616 1.00 34.53 N ATOM 1017 CA ALA A 62 -1.682 -0.408 -12.597 1.00 22.12 C ATOM 1018 C ALA A 62 -2.758 0.524 -12.044 1.00 21.32 C ATOM 1019 O ALA A 62 -3.842 0.624 -12.615 1.00 43.21 O ATOM 1020 CB ALA A 62 -1.635 -1.695 -11.785 1.00 33.41 C ATOM 0 H ALA A 62 0.309 -0.199 -11.986 1.00 34.53 H new ATOM 0 HA ALA A 62 -1.946 -0.643 -13.628 1.00 22.12 H new ATOM 0 HB1 ALA A 62 -2.622 -2.158 -11.780 1.00 33.41 H new ATOM 0 HB2 ALA A 62 -0.914 -2.381 -12.231 1.00 33.41 H new ATOM 0 HB3 ALA A 62 -1.335 -1.469 -10.762 1.00 33.41 H new ATOM 1026 N VAL A 63 -2.458 1.203 -10.939 1.00 62.51 N ATOM 1027 CA VAL A 63 -3.424 2.098 -10.299 1.00 12.03 C ATOM 1028 C VAL A 63 -3.749 3.298 -11.190 1.00 63.53 C ATOM 1029 O VAL A 63 -4.879 3.783 -11.200 1.00 34.23 O ATOM 1030 CB VAL A 63 -2.938 2.578 -8.907 1.00 34.20 C ATOM 1031 CG1 VAL A 63 -1.576 3.239 -8.990 1.00 14.01 C ATOM 1032 CG2 VAL A 63 -3.946 3.527 -8.278 1.00 30.34 C ATOM 0 H VAL A 63 -1.555 1.152 -10.467 1.00 62.51 H new ATOM 0 HA VAL A 63 -4.336 1.519 -10.153 1.00 12.03 H new ATOM 0 HB VAL A 63 -2.846 1.696 -8.274 1.00 34.20 H new ATOM 0 HG11 VAL A 63 -1.267 3.563 -7.996 1.00 14.01 H new ATOM 0 HG12 VAL A 63 -0.849 2.527 -9.382 1.00 14.01 H new ATOM 0 HG13 VAL A 63 -1.631 4.103 -9.652 1.00 14.01 H new ATOM 0 HG21 VAL A 63 -3.582 3.850 -7.302 1.00 30.34 H new ATOM 0 HG22 VAL A 63 -4.078 4.397 -8.922 1.00 30.34 H new ATOM 0 HG23 VAL A 63 -4.901 3.016 -8.158 1.00 30.34 H new ATOM 1042 N MET A 64 -2.770 3.762 -11.957 1.00 73.25 N ATOM 1043 CA MET A 64 -3.006 4.849 -12.901 1.00 63.34 C ATOM 1044 C MET A 64 -3.888 4.363 -14.045 1.00 33.01 C ATOM 1045 O MET A 64 -4.721 5.103 -14.563 1.00 23.11 O ATOM 1046 CB MET A 64 -1.683 5.398 -13.445 1.00 3.32 C ATOM 1047 CG MET A 64 -0.844 6.108 -12.396 1.00 72.33 C ATOM 1048 SD MET A 64 0.719 6.725 -13.048 1.00 13.24 S ATOM 1049 CE MET A 64 1.413 7.491 -11.586 1.00 14.03 C ATOM 0 H MET A 64 -1.814 3.407 -11.945 1.00 73.25 H new ATOM 0 HA MET A 64 -3.517 5.656 -12.376 1.00 63.34 H new ATOM 0 HB2 MET A 64 -1.104 4.576 -13.867 1.00 3.32 H new ATOM 0 HB3 MET A 64 -1.894 6.091 -14.260 1.00 3.32 H new ATOM 0 HG2 MET A 64 -1.414 6.941 -11.985 1.00 72.33 H new ATOM 0 HG3 MET A 64 -0.643 5.422 -11.573 1.00 72.33 H new ATOM 0 HE1 MET A 64 2.385 7.921 -11.827 1.00 14.03 H new ATOM 0 HE2 MET A 64 0.745 8.278 -11.236 1.00 14.03 H new ATOM 0 HE3 MET A 64 1.532 6.741 -10.804 1.00 14.03 H new ATOM 1059 N LYS A 65 -3.716 3.099 -14.408 1.00 4.20 N ATOM 1060 CA LYS A 65 -4.473 2.490 -15.480 1.00 5.45 C ATOM 1061 C LYS A 65 -5.909 2.204 -15.037 1.00 52.40 C ATOM 1062 O LYS A 65 -6.865 2.587 -15.712 1.00 73.40 O ATOM 1063 CB LYS A 65 -3.746 1.211 -15.920 1.00 43.52 C ATOM 1064 CG LYS A 65 -4.445 0.416 -17.008 1.00 41.33 C ATOM 1065 CD LYS A 65 -5.470 -0.535 -16.419 1.00 71.24 C ATOM 1066 CE LYS A 65 -4.820 -1.594 -15.541 1.00 51.24 C ATOM 1067 NZ LYS A 65 -4.039 -2.580 -16.333 1.00 34.21 N ATOM 0 H LYS A 65 -3.046 2.471 -13.964 1.00 4.20 H new ATOM 0 HA LYS A 65 -4.539 3.172 -16.328 1.00 5.45 H new ATOM 0 HB2 LYS A 65 -2.750 1.480 -16.271 1.00 43.52 H new ATOM 0 HB3 LYS A 65 -3.614 0.568 -15.049 1.00 43.52 H new ATOM 0 HG2 LYS A 65 -4.935 1.098 -17.703 1.00 41.33 H new ATOM 0 HG3 LYS A 65 -3.708 -0.148 -17.581 1.00 41.33 H new ATOM 0 HD2 LYS A 65 -6.194 0.030 -15.832 1.00 71.24 H new ATOM 0 HD3 LYS A 65 -6.021 -1.019 -17.225 1.00 71.24 H new ATOM 0 HE2 LYS A 65 -4.164 -1.110 -14.818 1.00 51.24 H new ATOM 0 HE3 LYS A 65 -5.591 -2.116 -14.973 1.00 51.24 H new ATOM 0 HZ1 LYS A 65 -3.685 -3.329 -15.704 1.00 34.21 H new ATOM 0 HZ2 LYS A 65 -4.649 -3.001 -17.063 1.00 34.21 H new ATOM 0 HZ3 LYS A 65 -3.235 -2.102 -16.787 1.00 34.21 H new ATOM 1081 N ARG A 66 -6.053 1.549 -13.891 1.00 23.33 N ATOM 1082 CA ARG A 66 -7.368 1.120 -13.415 1.00 23.22 C ATOM 1083 C ARG A 66 -8.079 2.229 -12.644 1.00 2.32 C ATOM 1084 O ARG A 66 -9.259 2.107 -12.317 1.00 52.02 O ATOM 1085 CB ARG A 66 -7.240 -0.125 -12.531 1.00 23.05 C ATOM 1086 CG ARG A 66 -6.583 0.128 -11.179 1.00 21.34 C ATOM 1087 CD ARG A 66 -6.518 -1.150 -10.360 1.00 42.35 C ATOM 1088 NE ARG A 66 -5.942 -0.948 -9.030 1.00 64.43 N ATOM 1089 CZ ARG A 66 -5.805 -1.917 -8.124 1.00 10.22 C ATOM 1090 NH1 ARG A 66 -6.173 -3.166 -8.411 1.00 64.11 N ATOM 1091 NH2 ARG A 66 -5.297 -1.633 -6.936 1.00 10.31 N ATOM 0 H ARG A 66 -5.279 1.303 -13.274 1.00 23.33 H new ATOM 0 HA ARG A 66 -7.968 0.879 -14.293 1.00 23.22 H new ATOM 0 HB2 ARG A 66 -8.233 -0.542 -12.366 1.00 23.05 H new ATOM 0 HB3 ARG A 66 -6.662 -0.878 -13.067 1.00 23.05 H new ATOM 0 HG2 ARG A 66 -5.577 0.521 -11.327 1.00 21.34 H new ATOM 0 HG3 ARG A 66 -7.145 0.886 -10.633 1.00 21.34 H new ATOM 0 HD2 ARG A 66 -7.523 -1.560 -10.256 1.00 42.35 H new ATOM 0 HD3 ARG A 66 -5.926 -1.890 -10.898 1.00 42.35 H new ATOM 0 HE ARG A 66 -5.627 -0.010 -8.781 1.00 64.43 H new ATOM 0 HH11 ARG A 66 -6.562 -3.385 -9.328 1.00 64.11 H new ATOM 0 HH12 ARG A 66 -6.065 -3.902 -7.713 1.00 64.11 H new ATOM 0 HH21 ARG A 66 -5.013 -0.678 -6.718 1.00 10.31 H new ATOM 0 HH22 ARG A 66 -5.189 -2.369 -6.238 1.00 10.31 H new ATOM 1105 N GLY A 67 -7.360 3.297 -12.349 1.00 34.04 N ATOM 1106 CA GLY A 67 -7.940 4.397 -11.609 1.00 15.23 C ATOM 1107 C GLY A 67 -7.490 5.745 -12.128 1.00 65.23 C ATOM 1108 O GLY A 67 -7.951 6.197 -13.176 1.00 10.41 O ATOM 0 H GLY A 67 -6.382 3.424 -12.609 1.00 34.04 H new ATOM 0 HA2 GLY A 67 -9.027 4.335 -11.664 1.00 15.23 H new ATOM 0 HA3 GLY A 67 -7.668 4.307 -10.557 1.00 15.23 H new ATOM 1112 N ALA A 68 -6.575 6.375 -11.406 1.00 52.34 N ATOM 1113 CA ALA A 68 -6.111 7.711 -11.746 1.00 4.43 C ATOM 1114 C ALA A 68 -4.735 7.967 -11.139 1.00 2.44 C ATOM 1115 O ALA A 68 -4.355 7.317 -10.166 1.00 5.04 O ATOM 1116 CB ALA A 68 -7.109 8.749 -11.247 1.00 61.45 C ATOM 0 H ALA A 68 -6.137 5.978 -10.575 1.00 52.34 H new ATOM 0 HA ALA A 68 -6.030 7.790 -12.830 1.00 4.43 H new ATOM 0 HB1 ALA A 68 -6.755 9.747 -11.505 1.00 61.45 H new ATOM 0 HB2 ALA A 68 -8.078 8.576 -11.714 1.00 61.45 H new ATOM 0 HB3 ALA A 68 -7.208 8.668 -10.165 1.00 61.45 H new ATOM 1122 N PRO A 69 -3.969 8.919 -11.695 1.00 43.32 N ATOM 1123 CA PRO A 69 -2.646 9.269 -11.170 1.00 12.24 C ATOM 1124 C PRO A 69 -2.727 9.887 -9.776 1.00 61.32 C ATOM 1125 O PRO A 69 -1.788 9.794 -8.989 1.00 31.41 O ATOM 1126 CB PRO A 69 -2.111 10.289 -12.180 1.00 35.03 C ATOM 1127 CG PRO A 69 -3.322 10.843 -12.847 1.00 33.40 C ATOM 1128 CD PRO A 69 -4.317 9.720 -12.885 1.00 44.15 C ATOM 0 HA PRO A 69 -2.007 8.393 -11.060 1.00 12.24 H new ATOM 0 HB2 PRO A 69 -1.540 11.074 -11.684 1.00 35.03 H new ATOM 0 HB3 PRO A 69 -1.444 9.817 -12.902 1.00 35.03 H new ATOM 0 HG2 PRO A 69 -3.716 11.696 -12.295 1.00 33.40 H new ATOM 0 HG3 PRO A 69 -3.089 11.193 -13.853 1.00 33.40 H new ATOM 0 HD2 PRO A 69 -5.342 10.088 -12.837 1.00 44.15 H new ATOM 0 HD3 PRO A 69 -4.231 9.137 -13.802 1.00 44.15 H new ATOM 1136 N SER A 70 -3.865 10.502 -9.476 1.00 62.34 N ATOM 1137 CA SER A 70 -4.078 11.145 -8.189 1.00 22.13 C ATOM 1138 C SER A 70 -4.006 10.123 -7.053 1.00 12.41 C ATOM 1139 O SER A 70 -3.237 10.284 -6.105 1.00 75.21 O ATOM 1140 CB SER A 70 -5.438 11.841 -8.194 1.00 43.50 C ATOM 1141 OG SER A 70 -5.662 12.493 -9.433 1.00 54.33 O ATOM 0 H SER A 70 -4.659 10.568 -10.113 1.00 62.34 H new ATOM 0 HA SER A 70 -3.293 11.883 -8.025 1.00 22.13 H new ATOM 0 HB2 SER A 70 -6.227 11.111 -8.014 1.00 43.50 H new ATOM 0 HB3 SER A 70 -5.484 12.567 -7.382 1.00 43.50 H new ATOM 0 HG SER A 70 -6.538 12.932 -9.418 1.00 54.33 H new ATOM 1147 N ILE A 71 -4.789 9.054 -7.175 1.00 63.04 N ATOM 1148 CA ILE A 71 -4.841 8.021 -6.149 1.00 72.33 C ATOM 1149 C ILE A 71 -3.537 7.230 -6.091 1.00 43.52 C ATOM 1150 O ILE A 71 -3.185 6.690 -5.050 1.00 25.11 O ATOM 1151 CB ILE A 71 -6.036 7.061 -6.340 1.00 52.25 C ATOM 1152 CG1 ILE A 71 -6.040 6.457 -7.748 1.00 63.12 C ATOM 1153 CG2 ILE A 71 -7.344 7.792 -6.067 1.00 1.05 C ATOM 1154 CD1 ILE A 71 -7.149 5.453 -7.977 1.00 0.10 C ATOM 0 H ILE A 71 -5.396 8.882 -7.976 1.00 63.04 H new ATOM 0 HA ILE A 71 -4.981 8.538 -5.200 1.00 72.33 H new ATOM 0 HB ILE A 71 -5.934 6.243 -5.627 1.00 52.25 H new ATOM 0 HG12 ILE A 71 -6.133 7.261 -8.478 1.00 63.12 H new ATOM 0 HG13 ILE A 71 -5.080 5.972 -7.928 1.00 63.12 H new ATOM 0 HG21 ILE A 71 -8.180 7.106 -6.205 1.00 1.05 H new ATOM 0 HG22 ILE A 71 -7.345 8.165 -5.043 1.00 1.05 H new ATOM 0 HG23 ILE A 71 -7.444 8.629 -6.758 1.00 1.05 H new ATOM 0 HD11 ILE A 71 -7.088 5.069 -8.995 1.00 0.10 H new ATOM 0 HD12 ILE A 71 -7.045 4.629 -7.271 1.00 0.10 H new ATOM 0 HD13 ILE A 71 -8.114 5.937 -7.830 1.00 0.10 H new ATOM 1166 N ALA A 72 -2.828 7.168 -7.216 1.00 2.24 N ATOM 1167 CA ALA A 72 -1.528 6.503 -7.271 1.00 73.31 C ATOM 1168 C ALA A 72 -0.575 7.068 -6.218 1.00 41.13 C ATOM 1169 O ALA A 72 0.109 6.322 -5.517 1.00 62.11 O ATOM 1170 CB ALA A 72 -0.920 6.651 -8.657 1.00 11.14 C ATOM 0 H ALA A 72 -3.132 7.571 -8.103 1.00 2.24 H new ATOM 0 HA ALA A 72 -1.681 5.445 -7.059 1.00 73.31 H new ATOM 0 HB1 ALA A 72 0.048 6.151 -8.685 1.00 11.14 H new ATOM 0 HB2 ALA A 72 -1.583 6.199 -9.395 1.00 11.14 H new ATOM 0 HB3 ALA A 72 -0.789 7.709 -8.886 1.00 11.14 H new ATOM 1176 N ASN A 73 -0.540 8.392 -6.109 1.00 75.11 N ATOM 1177 CA ASN A 73 0.292 9.058 -5.110 1.00 44.43 C ATOM 1178 C ASN A 73 -0.292 8.850 -3.722 1.00 32.30 C ATOM 1179 O ASN A 73 0.438 8.715 -2.739 1.00 52.42 O ATOM 1180 CB ASN A 73 0.396 10.560 -5.397 1.00 44.42 C ATOM 1181 CG ASN A 73 1.147 10.872 -6.674 1.00 52.20 C ATOM 1182 OD1 ASN A 73 2.365 11.033 -6.670 1.00 42.43 O ATOM 1183 ND2 ASN A 73 0.425 10.974 -7.777 1.00 45.20 N ATOM 0 H ASN A 73 -1.078 9.026 -6.700 1.00 75.11 H new ATOM 0 HA ASN A 73 1.290 8.622 -5.157 1.00 44.43 H new ATOM 0 HB2 ASN A 73 -0.607 10.982 -5.461 1.00 44.42 H new ATOM 0 HB3 ASN A 73 0.895 11.050 -4.561 1.00 44.42 H new ATOM 0 HD21 ASN A 73 0.878 11.193 -8.664 1.00 45.20 H new ATOM 0 HD22 ASN A 73 -0.585 10.833 -7.740 1.00 45.20 H new ATOM 1190 N ASP A 74 -1.617 8.822 -3.664 1.00 50.43 N ATOM 1191 CA ASP A 74 -2.341 8.638 -2.409 1.00 44.40 C ATOM 1192 C ASP A 74 -1.974 7.298 -1.772 1.00 35.52 C ATOM 1193 O ASP A 74 -1.564 7.247 -0.613 1.00 3.30 O ATOM 1194 CB ASP A 74 -3.851 8.707 -2.668 1.00 43.01 C ATOM 1195 CG ASP A 74 -4.673 8.864 -1.404 1.00 63.12 C ATOM 1196 OD1 ASP A 74 -4.944 7.854 -0.727 1.00 14.12 O ATOM 1197 OD2 ASP A 74 -5.089 10.002 -1.102 1.00 14.43 O ATOM 0 H ASP A 74 -2.220 8.925 -4.480 1.00 50.43 H new ATOM 0 HA ASP A 74 -2.060 9.434 -1.719 1.00 44.40 H new ATOM 0 HB2 ASP A 74 -4.060 9.544 -3.334 1.00 43.01 H new ATOM 0 HB3 ASP A 74 -4.165 7.801 -3.186 1.00 43.01 H new ATOM 1202 N THR A 75 -2.084 6.225 -2.554 1.00 71.25 N ATOM 1203 CA THR A 75 -1.750 4.884 -2.087 1.00 53.05 C ATOM 1204 C THR A 75 -0.288 4.799 -1.650 1.00 63.31 C ATOM 1205 O THR A 75 0.018 4.304 -0.562 1.00 70.43 O ATOM 1206 CB THR A 75 -2.012 3.834 -3.186 1.00 21.22 C ATOM 1207 OG1 THR A 75 -3.360 3.943 -3.656 1.00 1.42 O ATOM 1208 CG2 THR A 75 -1.769 2.425 -2.667 1.00 64.50 C ATOM 0 H THR A 75 -2.405 6.262 -3.522 1.00 71.25 H new ATOM 0 HA THR A 75 -2.390 4.674 -1.230 1.00 53.05 H new ATOM 0 HB THR A 75 -1.320 4.026 -4.006 1.00 21.22 H new ATOM 0 HG1 THR A 75 -3.553 3.204 -4.271 1.00 1.42 H new ATOM 0 HG21 THR A 75 -1.961 1.706 -3.463 1.00 64.50 H new ATOM 0 HG22 THR A 75 -0.734 2.332 -2.337 1.00 64.50 H new ATOM 0 HG23 THR A 75 -2.437 2.226 -1.829 1.00 64.50 H new ATOM 1216 N LEU A 76 0.607 5.303 -2.498 1.00 32.42 N ATOM 1217 CA LEU A 76 2.041 5.294 -2.214 1.00 50.31 C ATOM 1218 C LEU A 76 2.332 5.996 -0.889 1.00 71.32 C ATOM 1219 O LEU A 76 3.207 5.582 -0.127 1.00 51.14 O ATOM 1220 CB LEU A 76 2.803 5.983 -3.354 1.00 0.21 C ATOM 1221 CG LEU A 76 4.328 5.996 -3.216 1.00 14.13 C ATOM 1222 CD1 LEU A 76 4.890 4.585 -3.291 1.00 11.54 C ATOM 1223 CD2 LEU A 76 4.947 6.875 -4.291 1.00 55.23 C ATOM 0 H LEU A 76 0.362 5.725 -3.393 1.00 32.42 H new ATOM 0 HA LEU A 76 2.374 4.259 -2.135 1.00 50.31 H new ATOM 0 HB2 LEU A 76 2.545 5.489 -4.291 1.00 0.21 H new ATOM 0 HB3 LEU A 76 2.454 7.013 -3.430 1.00 0.21 H new ATOM 0 HG LEU A 76 4.581 6.409 -2.240 1.00 14.13 H new ATOM 0 HD11 LEU A 76 5.975 4.620 -3.191 1.00 11.54 H new ATOM 0 HD12 LEU A 76 4.470 3.983 -2.485 1.00 11.54 H new ATOM 0 HD13 LEU A 76 4.629 4.140 -4.251 1.00 11.54 H new ATOM 0 HD21 LEU A 76 6.031 6.875 -4.181 1.00 55.23 H new ATOM 0 HD22 LEU A 76 4.682 6.488 -5.275 1.00 55.23 H new ATOM 0 HD23 LEU A 76 4.572 7.893 -4.189 1.00 55.23 H new ATOM 1235 N ARG A 77 1.568 7.045 -0.618 1.00 61.32 N ATOM 1236 CA ARG A 77 1.709 7.826 0.604 1.00 52.41 C ATOM 1237 C ARG A 77 1.456 6.961 1.843 1.00 14.22 C ATOM 1238 O ARG A 77 2.184 7.052 2.833 1.00 64.30 O ATOM 1239 CB ARG A 77 0.731 9.002 0.558 1.00 43.01 C ATOM 1240 CG ARG A 77 0.853 9.983 1.710 1.00 22.50 C ATOM 1241 CD ARG A 77 -0.156 11.107 1.550 1.00 53.11 C ATOM 1242 NE ARG A 77 -0.051 12.129 2.589 1.00 62.22 N ATOM 1243 CZ ARG A 77 -1.079 12.886 2.974 1.00 70.41 C ATOM 1244 NH1 ARG A 77 -2.284 12.686 2.450 1.00 14.14 N ATOM 1245 NH2 ARG A 77 -0.901 13.832 3.888 1.00 4.12 N ATOM 0 H ARG A 77 0.832 7.379 -1.240 1.00 61.32 H new ATOM 0 HA ARG A 77 2.730 8.202 0.672 1.00 52.41 H new ATOM 0 HB2 ARG A 77 0.880 9.542 -0.377 1.00 43.01 H new ATOM 0 HB3 ARG A 77 -0.286 8.609 0.541 1.00 43.01 H new ATOM 0 HG2 ARG A 77 0.687 9.467 2.656 1.00 22.50 H new ATOM 0 HG3 ARG A 77 1.863 10.393 1.743 1.00 22.50 H new ATOM 0 HD2 ARG A 77 -0.018 11.574 0.575 1.00 53.11 H new ATOM 0 HD3 ARG A 77 -1.162 10.688 1.563 1.00 53.11 H new ATOM 0 HE ARG A 77 0.852 12.270 3.042 1.00 62.22 H new ATOM 0 HH11 ARG A 77 -2.422 11.954 1.754 1.00 14.14 H new ATOM 0 HH12 ARG A 77 -3.071 13.265 2.744 1.00 14.14 H new ATOM 0 HH21 ARG A 77 0.022 13.980 4.296 1.00 4.12 H new ATOM 0 HH22 ARG A 77 -1.687 14.411 4.182 1.00 4.12 H new ATOM 1259 N TRP A 78 0.432 6.118 1.775 1.00 65.34 N ATOM 1260 CA TRP A 78 0.087 5.241 2.890 1.00 34.45 C ATOM 1261 C TRP A 78 1.061 4.071 2.989 1.00 53.24 C ATOM 1262 O TRP A 78 1.345 3.583 4.087 1.00 21.10 O ATOM 1263 CB TRP A 78 -1.340 4.707 2.743 1.00 12.54 C ATOM 1264 CG TRP A 78 -2.366 5.782 2.550 1.00 44.51 C ATOM 1265 CD1 TRP A 78 -3.205 5.921 1.486 1.00 73.32 C ATOM 1266 CD2 TRP A 78 -2.655 6.871 3.435 1.00 3.13 C ATOM 1267 NE1 TRP A 78 -3.995 7.029 1.650 1.00 33.12 N ATOM 1268 CE2 TRP A 78 -3.679 7.630 2.838 1.00 63.11 C ATOM 1269 CE3 TRP A 78 -2.147 7.283 4.673 1.00 12.32 C ATOM 1270 CZ2 TRP A 78 -4.205 8.772 3.435 1.00 4.05 C ATOM 1271 CZ3 TRP A 78 -2.671 8.418 5.264 1.00 60.12 C ATOM 1272 CH2 TRP A 78 -3.691 9.149 4.646 1.00 53.30 C ATOM 0 H TRP A 78 -0.174 6.023 0.960 1.00 65.34 H new ATOM 0 HA TRP A 78 0.153 5.833 3.803 1.00 34.45 H new ATOM 0 HB2 TRP A 78 -1.378 4.024 1.894 1.00 12.54 H new ATOM 0 HB3 TRP A 78 -1.595 4.128 3.630 1.00 12.54 H new ATOM 0 HD1 TRP A 78 -3.242 5.255 0.637 1.00 73.32 H new ATOM 0 HE1 TRP A 78 -4.704 7.353 0.992 1.00 33.12 H new ATOM 0 HE3 TRP A 78 -1.360 6.724 5.158 1.00 12.32 H new ATOM 0 HZ2 TRP A 78 -4.991 9.340 2.960 1.00 4.05 H new ATOM 0 HZ3 TRP A 78 -2.286 8.746 6.219 1.00 60.12 H new ATOM 0 HH2 TRP A 78 -4.081 10.029 5.135 1.00 53.30 H new ATOM 1283 N LEU A 79 1.569 3.629 1.840 1.00 33.23 N ATOM 1284 CA LEU A 79 2.487 2.492 1.781 1.00 25.13 C ATOM 1285 C LEU A 79 3.751 2.760 2.591 1.00 1.10 C ATOM 1286 O LEU A 79 4.289 1.857 3.230 1.00 65.21 O ATOM 1287 CB LEU A 79 2.862 2.174 0.330 1.00 0.20 C ATOM 1288 CG LEU A 79 1.699 1.750 -0.568 1.00 61.11 C ATOM 1289 CD1 LEU A 79 2.192 1.485 -1.984 1.00 73.44 C ATOM 1290 CD2 LEU A 79 1.001 0.521 0.002 1.00 44.14 C ATOM 0 H LEU A 79 1.359 4.044 0.932 1.00 33.23 H new ATOM 0 HA LEU A 79 1.973 1.633 2.214 1.00 25.13 H new ATOM 0 HB2 LEU A 79 3.335 3.054 -0.107 1.00 0.20 H new ATOM 0 HB3 LEU A 79 3.607 1.379 0.331 1.00 0.20 H new ATOM 0 HG LEU A 79 0.974 2.564 -0.604 1.00 61.11 H new ATOM 0 HD11 LEU A 79 1.353 1.184 -2.611 1.00 73.44 H new ATOM 0 HD12 LEU A 79 2.641 2.392 -2.389 1.00 73.44 H new ATOM 0 HD13 LEU A 79 2.936 0.689 -1.967 1.00 73.44 H new ATOM 0 HD21 LEU A 79 0.177 0.235 -0.651 1.00 44.14 H new ATOM 0 HD22 LEU A 79 1.712 -0.302 0.070 1.00 44.14 H new ATOM 0 HD23 LEU A 79 0.614 0.750 0.995 1.00 44.14 H new ATOM 1302 N LYS A 80 4.214 4.003 2.565 1.00 62.34 N ATOM 1303 CA LYS A 80 5.399 4.401 3.327 1.00 75.22 C ATOM 1304 C LYS A 80 5.210 4.080 4.803 1.00 25.30 C ATOM 1305 O LYS A 80 6.023 3.383 5.413 1.00 44.01 O ATOM 1306 CB LYS A 80 5.661 5.896 3.169 1.00 33.23 C ATOM 1307 CG LYS A 80 5.669 6.363 1.727 1.00 42.32 C ATOM 1308 CD LYS A 80 5.974 7.845 1.621 1.00 5.43 C ATOM 1309 CE LYS A 80 5.004 8.692 2.431 1.00 34.21 C ATOM 1310 NZ LYS A 80 5.341 10.138 2.354 1.00 35.15 N ATOM 0 H LYS A 80 3.789 4.757 2.025 1.00 62.34 H new ATOM 0 HA LYS A 80 6.252 3.844 2.940 1.00 75.22 H new ATOM 0 HB2 LYS A 80 4.899 6.450 3.717 1.00 33.23 H new ATOM 0 HB3 LYS A 80 6.621 6.138 3.626 1.00 33.23 H new ATOM 0 HG2 LYS A 80 6.412 5.797 1.165 1.00 42.32 H new ATOM 0 HG3 LYS A 80 4.700 6.157 1.272 1.00 42.32 H new ATOM 0 HD2 LYS A 80 6.991 8.030 1.967 1.00 5.43 H new ATOM 0 HD3 LYS A 80 5.932 8.149 0.575 1.00 5.43 H new ATOM 0 HE2 LYS A 80 3.990 8.535 2.065 1.00 34.21 H new ATOM 0 HE3 LYS A 80 5.021 8.369 3.472 1.00 34.21 H new ATOM 0 HZ1 LYS A 80 4.659 10.684 2.918 1.00 35.15 H new ATOM 0 HZ2 LYS A 80 6.300 10.291 2.727 1.00 35.15 H new ATOM 0 HZ3 LYS A 80 5.301 10.452 1.363 1.00 35.15 H new ATOM 1324 N ARG A 81 4.121 4.595 5.360 1.00 34.21 N ATOM 1325 CA ARG A 81 3.760 4.327 6.752 1.00 23.30 C ATOM 1326 C ARG A 81 3.630 2.827 7.009 1.00 2.30 C ATOM 1327 O ARG A 81 4.020 2.333 8.068 1.00 51.34 O ATOM 1328 CB ARG A 81 2.448 5.027 7.110 1.00 30.42 C ATOM 1329 CG ARG A 81 2.578 6.533 7.255 1.00 52.11 C ATOM 1330 CD ARG A 81 1.263 7.168 7.680 1.00 15.44 C ATOM 1331 NE ARG A 81 1.443 8.557 8.100 1.00 2.42 N ATOM 1332 CZ ARG A 81 0.453 9.376 8.455 1.00 61.23 C ATOM 1333 NH1 ARG A 81 -0.810 8.955 8.463 1.00 22.02 N ATOM 1334 NH2 ARG A 81 0.732 10.620 8.820 1.00 60.43 N ATOM 0 H ARG A 81 3.467 5.204 4.868 1.00 34.21 H new ATOM 0 HA ARG A 81 4.559 4.718 7.382 1.00 23.30 H new ATOM 0 HB2 ARG A 81 1.708 4.808 6.340 1.00 30.42 H new ATOM 0 HB3 ARG A 81 2.069 4.613 8.044 1.00 30.42 H new ATOM 0 HG2 ARG A 81 3.349 6.763 7.990 1.00 52.11 H new ATOM 0 HG3 ARG A 81 2.902 6.964 6.308 1.00 52.11 H new ATOM 0 HD2 ARG A 81 0.555 7.127 6.852 1.00 15.44 H new ATOM 0 HD3 ARG A 81 0.830 6.594 8.499 1.00 15.44 H new ATOM 0 HE ARG A 81 2.394 8.925 8.123 1.00 2.42 H new ATOM 0 HH11 ARG A 81 -1.029 7.996 8.195 1.00 22.02 H new ATOM 0 HH12 ARG A 81 -1.558 9.592 8.737 1.00 22.02 H new ATOM 0 HH21 ARG A 81 1.699 10.945 8.828 1.00 60.43 H new ATOM 0 HH22 ARG A 81 -0.020 11.252 9.093 1.00 60.43 H new ATOM 1348 N MET A 82 3.086 2.112 6.030 1.00 4.13 N ATOM 1349 CA MET A 82 2.934 0.664 6.126 1.00 22.51 C ATOM 1350 C MET A 82 4.294 -0.020 6.254 1.00 70.12 C ATOM 1351 O MET A 82 4.502 -0.838 7.151 1.00 4.04 O ATOM 1352 CB MET A 82 2.185 0.123 4.903 1.00 64.51 C ATOM 1353 CG MET A 82 1.964 -1.379 4.938 1.00 14.03 C ATOM 1354 SD MET A 82 1.073 -1.985 3.492 1.00 44.31 S ATOM 1355 CE MET A 82 -0.489 -1.124 3.663 1.00 11.02 C ATOM 0 H MET A 82 2.742 2.513 5.158 1.00 4.13 H new ATOM 0 HA MET A 82 2.353 0.444 7.022 1.00 22.51 H new ATOM 0 HB2 MET A 82 1.219 0.622 4.830 1.00 64.51 H new ATOM 0 HB3 MET A 82 2.745 0.378 4.003 1.00 64.51 H new ATOM 0 HG2 MET A 82 2.928 -1.883 5.003 1.00 14.03 H new ATOM 0 HG3 MET A 82 1.407 -1.639 5.838 1.00 14.03 H new ATOM 0 HE1 MET A 82 -1.258 -1.648 3.095 1.00 11.02 H new ATOM 0 HE2 MET A 82 -0.774 -1.092 4.715 1.00 11.02 H new ATOM 0 HE3 MET A 82 -0.387 -0.107 3.283 1.00 11.02 H new ATOM 1365 N PHE A 83 5.222 0.329 5.366 1.00 35.31 N ATOM 1366 CA PHE A 83 6.561 -0.254 5.393 1.00 73.31 C ATOM 1367 C PHE A 83 7.286 0.124 6.678 1.00 2.10 C ATOM 1368 O PHE A 83 8.023 -0.681 7.240 1.00 53.34 O ATOM 1369 CB PHE A 83 7.380 0.192 4.178 1.00 22.54 C ATOM 1370 CG PHE A 83 6.809 -0.260 2.862 1.00 11.22 C ATOM 1371 CD1 PHE A 83 6.351 -1.559 2.696 1.00 35.20 C ATOM 1372 CD2 PHE A 83 6.743 0.611 1.786 1.00 42.44 C ATOM 1373 CE1 PHE A 83 5.834 -1.977 1.485 1.00 22.22 C ATOM 1374 CE2 PHE A 83 6.226 0.198 0.573 1.00 11.44 C ATOM 1375 CZ PHE A 83 5.772 -1.097 0.422 1.00 44.12 C ATOM 0 H PHE A 83 5.072 1.010 4.622 1.00 35.31 H new ATOM 0 HA PHE A 83 6.452 -1.338 5.356 1.00 73.31 H new ATOM 0 HB2 PHE A 83 7.450 1.280 4.178 1.00 22.54 H new ATOM 0 HB3 PHE A 83 8.395 -0.193 4.275 1.00 22.54 H new ATOM 0 HD1 PHE A 83 6.399 -2.252 3.523 1.00 35.20 H new ATOM 0 HD2 PHE A 83 7.100 1.624 1.897 1.00 42.44 H new ATOM 0 HE1 PHE A 83 5.479 -2.990 1.370 1.00 22.22 H new ATOM 0 HE2 PHE A 83 6.177 0.888 -0.257 1.00 11.44 H new ATOM 0 HZ PHE A 83 5.369 -1.422 -0.526 1.00 44.12 H new ATOM 1385 N ASN A 84 7.059 1.347 7.140 1.00 44.15 N ATOM 1386 CA ASN A 84 7.642 1.819 8.394 1.00 30.22 C ATOM 1387 C ASN A 84 7.240 0.914 9.556 1.00 74.14 C ATOM 1388 O ASN A 84 8.075 0.531 10.380 1.00 20.21 O ATOM 1389 CB ASN A 84 7.206 3.262 8.674 1.00 2.25 C ATOM 1390 CG ASN A 84 7.573 3.728 10.073 1.00 41.50 C ATOM 1391 OD1 ASN A 84 8.691 4.184 10.315 1.00 51.34 O ATOM 1392 ND2 ASN A 84 6.630 3.635 11.000 1.00 33.51 N ATOM 0 H ASN A 84 6.473 2.034 6.665 1.00 44.15 H new ATOM 0 HA ASN A 84 8.727 1.790 8.296 1.00 30.22 H new ATOM 0 HB2 ASN A 84 7.668 3.925 7.942 1.00 2.25 H new ATOM 0 HB3 ASN A 84 6.127 3.343 8.540 1.00 2.25 H new ATOM 0 HD21 ASN A 84 6.819 3.947 11.953 1.00 33.51 H new ATOM 0 HD22 ASN A 84 5.716 3.251 10.761 1.00 33.51 H new ATOM 1399 N TYR A 85 5.961 0.570 9.609 1.00 1.01 N ATOM 1400 CA TYR A 85 5.443 -0.299 10.657 1.00 34.10 C ATOM 1401 C TYR A 85 5.927 -1.731 10.447 1.00 32.42 C ATOM 1402 O TYR A 85 6.178 -2.461 11.406 1.00 73.23 O ATOM 1403 CB TYR A 85 3.913 -0.243 10.679 1.00 3.43 C ATOM 1404 CG TYR A 85 3.272 -1.030 11.805 1.00 23.03 C ATOM 1405 CD1 TYR A 85 3.533 -0.723 13.135 1.00 21.11 C ATOM 1406 CD2 TYR A 85 2.397 -2.076 11.536 1.00 2.23 C ATOM 1407 CE1 TYR A 85 2.944 -1.436 14.162 1.00 61.32 C ATOM 1408 CE2 TYR A 85 1.802 -2.791 12.559 1.00 71.31 C ATOM 1409 CZ TYR A 85 2.078 -2.467 13.870 1.00 65.34 C ATOM 1410 OH TYR A 85 1.484 -3.176 14.893 1.00 51.10 O ATOM 0 H TYR A 85 5.260 0.881 8.936 1.00 1.01 H new ATOM 0 HA TYR A 85 5.816 0.050 11.620 1.00 34.10 H new ATOM 0 HB2 TYR A 85 3.601 0.799 10.757 1.00 3.43 H new ATOM 0 HB3 TYR A 85 3.534 -0.619 9.728 1.00 3.43 H new ATOM 0 HD1 TYR A 85 4.208 0.087 13.370 1.00 21.11 H new ATOM 0 HD2 TYR A 85 2.178 -2.335 10.511 1.00 2.23 H new ATOM 0 HE1 TYR A 85 3.162 -1.186 15.190 1.00 61.32 H new ATOM 0 HE2 TYR A 85 1.124 -3.600 12.332 1.00 71.31 H new ATOM 0 HH TYR A 85 1.184 -4.046 14.557 1.00 51.10 H new ATOM 1420 N ALA A 86 6.062 -2.123 9.190 1.00 53.53 N ATOM 1421 CA ALA A 86 6.562 -3.446 8.851 1.00 25.25 C ATOM 1422 C ALA A 86 8.018 -3.610 9.281 1.00 24.25 C ATOM 1423 O ALA A 86 8.415 -4.673 9.755 1.00 43.33 O ATOM 1424 CB ALA A 86 6.414 -3.699 7.359 1.00 63.21 C ATOM 0 H ALA A 86 5.831 -1.541 8.385 1.00 53.53 H new ATOM 0 HA ALA A 86 5.968 -4.183 9.392 1.00 25.25 H new ATOM 0 HB1 ALA A 86 6.792 -4.693 7.119 1.00 63.21 H new ATOM 0 HB2 ALA A 86 5.362 -3.634 7.082 1.00 63.21 H new ATOM 0 HB3 ALA A 86 6.982 -2.951 6.805 1.00 63.21 H new ATOM 1430 N ILE A 87 8.807 -2.553 9.126 1.00 74.41 N ATOM 1431 CA ILE A 87 10.221 -2.592 9.487 1.00 51.23 C ATOM 1432 C ILE A 87 10.414 -2.574 11.003 1.00 30.33 C ATOM 1433 O ILE A 87 11.288 -3.268 11.527 1.00 45.24 O ATOM 1434 CB ILE A 87 11.011 -1.428 8.842 1.00 0.44 C ATOM 1435 CG1 ILE A 87 11.031 -1.591 7.320 1.00 61.20 C ATOM 1436 CG2 ILE A 87 12.433 -1.362 9.390 1.00 72.12 C ATOM 1437 CD1 ILE A 87 11.800 -0.505 6.602 1.00 65.43 C ATOM 0 H ILE A 87 8.492 -1.658 8.753 1.00 74.41 H new ATOM 0 HA ILE A 87 10.615 -3.531 9.098 1.00 51.23 H new ATOM 0 HB ILE A 87 10.512 -0.492 9.092 1.00 0.44 H new ATOM 0 HG12 ILE A 87 11.469 -2.558 7.073 1.00 61.20 H new ATOM 0 HG13 ILE A 87 10.005 -1.602 6.951 1.00 61.20 H new ATOM 0 HG21 ILE A 87 12.966 -0.535 8.920 1.00 72.12 H new ATOM 0 HG22 ILE A 87 12.401 -1.207 10.468 1.00 72.12 H new ATOM 0 HG23 ILE A 87 12.950 -2.297 9.174 1.00 72.12 H new ATOM 0 HD11 ILE A 87 11.770 -0.687 5.528 1.00 65.43 H new ATOM 0 HD12 ILE A 87 11.349 0.464 6.818 1.00 65.43 H new ATOM 0 HD13 ILE A 87 12.836 -0.507 6.942 1.00 65.43 H new ATOM 1449 N LYS A 88 9.593 -1.807 11.716 1.00 42.22 N ATOM 1450 CA LYS A 88 9.692 -1.765 13.176 1.00 14.35 C ATOM 1451 C LYS A 88 9.192 -3.078 13.781 1.00 44.34 C ATOM 1452 O LYS A 88 9.487 -3.399 14.931 1.00 72.41 O ATOM 1453 CB LYS A 88 8.927 -0.571 13.761 1.00 45.04 C ATOM 1454 CG LYS A 88 7.431 -0.600 13.508 1.00 65.54 C ATOM 1455 CD LYS A 88 6.724 0.559 14.194 1.00 70.13 C ATOM 1456 CE LYS A 88 6.866 0.475 15.704 1.00 23.14 C ATOM 1457 NZ LYS A 88 6.145 1.573 16.401 1.00 71.52 N ATOM 0 H LYS A 88 8.864 -1.215 11.318 1.00 42.22 H new ATOM 0 HA LYS A 88 10.743 -1.637 13.435 1.00 14.35 H new ATOM 0 HB2 LYS A 88 9.101 -0.536 14.836 1.00 45.04 H new ATOM 0 HB3 LYS A 88 9.336 0.348 13.342 1.00 45.04 H new ATOM 0 HG2 LYS A 88 7.242 -0.558 12.435 1.00 65.54 H new ATOM 0 HG3 LYS A 88 7.019 -1.543 13.868 1.00 65.54 H new ATOM 0 HD2 LYS A 88 7.139 1.502 13.839 1.00 70.13 H new ATOM 0 HD3 LYS A 88 5.668 0.554 13.925 1.00 70.13 H new ATOM 0 HE2 LYS A 88 6.483 -0.485 16.050 1.00 23.14 H new ATOM 0 HE3 LYS A 88 7.922 0.511 15.970 1.00 23.14 H new ATOM 0 HZ1 LYS A 88 6.271 1.474 17.429 1.00 71.52 H new ATOM 0 HZ2 LYS A 88 6.527 2.490 16.093 1.00 71.52 H new ATOM 0 HZ3 LYS A 88 5.132 1.525 16.170 1.00 71.52 H new ATOM 1471 N ARG A 89 8.424 -3.824 12.994 1.00 60.52 N ATOM 1472 CA ARG A 89 7.991 -5.167 13.374 1.00 14.22 C ATOM 1473 C ARG A 89 9.001 -6.189 12.846 1.00 25.52 C ATOM 1474 O ARG A 89 8.939 -7.377 13.159 1.00 2.11 O ATOM 1475 CB ARG A 89 6.603 -5.448 12.788 1.00 64.52 C ATOM 1476 CG ARG A 89 5.871 -6.610 13.438 1.00 54.50 C ATOM 1477 CD ARG A 89 5.460 -6.276 14.863 1.00 33.14 C ATOM 1478 NE ARG A 89 4.544 -7.270 15.417 1.00 34.54 N ATOM 1479 CZ ARG A 89 3.216 -7.184 15.331 1.00 64.43 C ATOM 1480 NH1 ARG A 89 2.655 -6.170 14.680 1.00 14.03 N ATOM 1481 NH2 ARG A 89 2.452 -8.106 15.899 1.00 62.21 N ATOM 0 H ARG A 89 8.085 -3.519 12.081 1.00 60.52 H new ATOM 0 HA ARG A 89 7.936 -5.242 14.460 1.00 14.22 H new ATOM 0 HB2 ARG A 89 5.993 -4.550 12.885 1.00 64.52 H new ATOM 0 HB3 ARG A 89 6.706 -5.650 11.722 1.00 64.52 H new ATOM 0 HG2 ARG A 89 4.987 -6.860 12.851 1.00 54.50 H new ATOM 0 HG3 ARG A 89 6.512 -7.492 13.439 1.00 54.50 H new ATOM 0 HD2 ARG A 89 6.349 -6.213 15.491 1.00 33.14 H new ATOM 0 HD3 ARG A 89 4.985 -5.295 14.883 1.00 33.14 H new ATOM 0 HE ARG A 89 4.943 -8.076 15.897 1.00 34.54 H new ATOM 0 HH11 ARG A 89 3.240 -5.457 14.246 1.00 14.03 H new ATOM 0 HH12 ARG A 89 1.639 -6.105 14.615 1.00 14.03 H new ATOM 0 HH21 ARG A 89 2.880 -8.883 16.403 1.00 62.21 H new ATOM 0 HH22 ARG A 89 1.436 -8.039 15.832 1.00 62.21 H new ATOM 1495 N HIS A 90 9.927 -5.679 12.040 1.00 32.22 N ATOM 1496 CA HIS A 90 10.971 -6.464 11.382 1.00 45.41 C ATOM 1497 C HIS A 90 10.381 -7.571 10.507 1.00 44.31 C ATOM 1498 O HIS A 90 10.866 -8.701 10.497 1.00 45.00 O ATOM 1499 CB HIS A 90 11.966 -7.045 12.390 1.00 64.20 C ATOM 1500 CG HIS A 90 13.267 -7.428 11.751 1.00 32.53 C ATOM 1501 ND1 HIS A 90 13.703 -8.727 11.642 1.00 53.23 N ATOM 1502 CD2 HIS A 90 14.215 -6.666 11.159 1.00 43.23 C ATOM 1503 CE1 HIS A 90 14.862 -8.749 11.012 1.00 53.32 C ATOM 1504 NE2 HIS A 90 15.196 -7.510 10.706 1.00 13.31 N ATOM 0 H HIS A 90 9.975 -4.684 11.820 1.00 32.22 H new ATOM 0 HA HIS A 90 11.515 -5.778 10.733 1.00 45.41 H new ATOM 0 HB2 HIS A 90 12.152 -6.313 13.176 1.00 64.20 H new ATOM 0 HB3 HIS A 90 11.527 -7.921 12.867 1.00 64.20 H new ATOM 0 HD2 HIS A 90 14.202 -5.591 11.061 1.00 43.23 H new ATOM 0 HE1 HIS A 90 15.440 -9.633 10.785 1.00 53.32 H new ATOM 0 HE2 HIS A 90 16.043 -7.227 10.214 1.00 13.31 H new ATOM 1513 N ILE A 91 9.338 -7.230 9.765 1.00 40.52 N ATOM 1514 CA ILE A 91 8.802 -8.126 8.751 1.00 54.13 C ATOM 1515 C ILE A 91 9.696 -8.053 7.521 1.00 0.13 C ATOM 1516 O ILE A 91 10.038 -9.066 6.912 1.00 4.13 O ATOM 1517 CB ILE A 91 7.357 -7.747 8.357 1.00 31.40 C ATOM 1518 CG1 ILE A 91 6.464 -7.679 9.599 1.00 43.54 C ATOM 1519 CG2 ILE A 91 6.799 -8.751 7.354 1.00 3.50 C ATOM 1520 CD1 ILE A 91 5.065 -7.180 9.308 1.00 42.04 C ATOM 0 H ILE A 91 8.846 -6.340 9.846 1.00 40.52 H new ATOM 0 HA ILE A 91 8.779 -9.137 9.158 1.00 54.13 H new ATOM 0 HB ILE A 91 7.373 -6.763 7.889 1.00 31.40 H new ATOM 0 HG12 ILE A 91 6.402 -8.671 10.047 1.00 43.54 H new ATOM 0 HG13 ILE A 91 6.929 -7.024 10.336 1.00 43.54 H new ATOM 0 HG21 ILE A 91 5.780 -8.470 7.086 1.00 3.50 H new ATOM 0 HG22 ILE A 91 7.421 -8.755 6.459 1.00 3.50 H new ATOM 0 HG23 ILE A 91 6.796 -9.746 7.799 1.00 3.50 H new ATOM 0 HD11 ILE A 91 4.487 -7.157 10.232 1.00 42.04 H new ATOM 0 HD12 ILE A 91 5.117 -6.176 8.888 1.00 42.04 H new ATOM 0 HD13 ILE A 91 4.582 -7.847 8.594 1.00 42.04 H new ATOM 1532 N ILE A 92 10.081 -6.830 7.183 1.00 65.21 N ATOM 1533 CA ILE A 92 11.001 -6.574 6.088 1.00 5.12 C ATOM 1534 C ILE A 92 12.158 -5.714 6.580 1.00 64.10 C ATOM 1535 O ILE A 92 12.063 -5.078 7.634 1.00 51.33 O ATOM 1536 CB ILE A 92 10.306 -5.874 4.900 1.00 73.34 C ATOM 1537 CG1 ILE A 92 9.529 -4.641 5.382 1.00 23.22 C ATOM 1538 CG2 ILE A 92 9.391 -6.850 4.173 1.00 5.42 C ATOM 1539 CD1 ILE A 92 8.840 -3.881 4.271 1.00 71.30 C ATOM 0 H ILE A 92 9.763 -5.988 7.662 1.00 65.21 H new ATOM 0 HA ILE A 92 11.371 -7.537 5.736 1.00 5.12 H new ATOM 0 HB ILE A 92 11.068 -5.536 4.197 1.00 73.34 H new ATOM 0 HG12 ILE A 92 8.783 -4.956 6.111 1.00 23.22 H new ATOM 0 HG13 ILE A 92 10.215 -3.969 5.898 1.00 23.22 H new ATOM 0 HG21 ILE A 92 8.908 -6.343 3.338 1.00 5.42 H new ATOM 0 HG22 ILE A 92 9.978 -7.688 3.798 1.00 5.42 H new ATOM 0 HG23 ILE A 92 8.631 -7.219 4.862 1.00 5.42 H new ATOM 0 HD11 ILE A 92 8.312 -3.024 4.689 1.00 71.30 H new ATOM 0 HD12 ILE A 92 9.583 -3.534 3.552 1.00 71.30 H new ATOM 0 HD13 ILE A 92 8.128 -4.536 3.769 1.00 71.30 H new ATOM 1551 N GLU A 93 13.244 -5.702 5.825 1.00 40.30 N ATOM 1552 CA GLU A 93 14.447 -4.988 6.233 1.00 35.11 C ATOM 1553 C GLU A 93 14.576 -3.655 5.491 1.00 41.24 C ATOM 1554 O GLU A 93 15.325 -2.770 5.907 1.00 24.45 O ATOM 1555 CB GLU A 93 15.676 -5.864 5.962 1.00 24.32 C ATOM 1556 CG GLU A 93 16.948 -5.398 6.659 1.00 40.22 C ATOM 1557 CD GLU A 93 16.853 -5.476 8.170 1.00 32.30 C ATOM 1558 OE1 GLU A 93 16.739 -6.603 8.706 1.00 61.33 O ATOM 1559 OE2 GLU A 93 16.910 -4.416 8.830 1.00 32.04 O ATOM 0 H GLU A 93 13.319 -6.178 4.926 1.00 40.30 H new ATOM 0 HA GLU A 93 14.379 -4.772 7.299 1.00 35.11 H new ATOM 0 HB2 GLU A 93 15.456 -6.884 6.277 1.00 24.32 H new ATOM 0 HB3 GLU A 93 15.855 -5.894 4.887 1.00 24.32 H new ATOM 0 HG2 GLU A 93 17.786 -6.007 6.320 1.00 40.22 H new ATOM 0 HG3 GLU A 93 17.162 -4.370 6.366 1.00 40.22 H new ATOM 1566 N TYR A 94 13.837 -3.506 4.399 1.00 51.22 N ATOM 1567 CA TYR A 94 13.975 -2.324 3.557 1.00 71.15 C ATOM 1568 C TYR A 94 12.630 -1.688 3.238 1.00 40.04 C ATOM 1569 O TYR A 94 11.576 -2.254 3.519 1.00 14.05 O ATOM 1570 CB TYR A 94 14.699 -2.671 2.254 1.00 62.25 C ATOM 1571 CG TYR A 94 16.178 -2.924 2.432 1.00 2.11 C ATOM 1572 CD1 TYR A 94 17.078 -1.866 2.463 1.00 71.13 C ATOM 1573 CD2 TYR A 94 16.674 -4.212 2.572 1.00 34.32 C ATOM 1574 CE1 TYR A 94 18.431 -2.086 2.628 1.00 33.51 C ATOM 1575 CE2 TYR A 94 18.025 -4.440 2.738 1.00 31.53 C ATOM 1576 CZ TYR A 94 18.900 -3.373 2.767 1.00 55.54 C ATOM 1577 OH TYR A 94 20.249 -3.597 2.933 1.00 23.33 O ATOM 0 H TYR A 94 13.143 -4.181 4.078 1.00 51.22 H new ATOM 0 HA TYR A 94 14.565 -1.601 4.121 1.00 71.15 H new ATOM 0 HB2 TYR A 94 14.238 -3.556 1.817 1.00 62.25 H new ATOM 0 HB3 TYR A 94 14.561 -1.856 1.544 1.00 62.25 H new ATOM 0 HD1 TYR A 94 16.713 -0.855 2.356 1.00 71.13 H new ATOM 0 HD2 TYR A 94 15.992 -5.049 2.551 1.00 34.32 H new ATOM 0 HE1 TYR A 94 19.118 -1.253 2.648 1.00 33.51 H new ATOM 0 HE2 TYR A 94 18.396 -5.449 2.845 1.00 31.53 H new ATOM 0 HH TYR A 94 20.413 -4.560 3.017 1.00 23.33 H new ATOM 1587 N ASN A 95 12.697 -0.501 2.652 1.00 44.11 N ATOM 1588 CA ASN A 95 11.524 0.253 2.223 1.00 43.32 C ATOM 1589 C ASN A 95 11.361 0.141 0.711 1.00 1.33 C ATOM 1590 O ASN A 95 11.977 0.902 -0.026 1.00 35.41 O ATOM 1591 CB ASN A 95 11.642 1.733 2.609 1.00 74.11 C ATOM 1592 CG ASN A 95 11.762 1.953 4.104 1.00 24.32 C ATOM 1593 OD1 ASN A 95 12.864 1.968 4.654 1.00 53.24 O ATOM 1594 ND2 ASN A 95 10.631 2.139 4.770 1.00 62.34 N ATOM 0 H ASN A 95 13.579 -0.027 2.458 1.00 44.11 H new ATOM 0 HA ASN A 95 10.653 -0.168 2.725 1.00 43.32 H new ATOM 0 HB2 ASN A 95 12.513 2.162 2.114 1.00 74.11 H new ATOM 0 HB3 ASN A 95 10.768 2.269 2.238 1.00 74.11 H new ATOM 0 HD21 ASN A 95 10.653 2.302 5.777 1.00 62.34 H new ATOM 0 HD22 ASN A 95 9.739 2.119 4.276 1.00 62.34 H new ATOM 1601 N PRO A 96 10.597 -0.850 0.220 1.00 2.34 N ATOM 1602 CA PRO A 96 10.430 -1.095 -1.225 1.00 3.41 C ATOM 1603 C PRO A 96 10.040 0.160 -2.021 1.00 55.03 C ATOM 1604 O PRO A 96 10.251 0.222 -3.230 1.00 43.11 O ATOM 1605 CB PRO A 96 9.309 -2.136 -1.279 1.00 45.23 C ATOM 1606 CG PRO A 96 9.394 -2.844 0.026 1.00 11.05 C ATOM 1607 CD PRO A 96 9.823 -1.809 1.029 1.00 41.41 C ATOM 0 HA PRO A 96 11.365 -1.419 -1.682 1.00 3.41 H new ATOM 0 HB2 PRO A 96 8.335 -1.664 -1.412 1.00 45.23 H new ATOM 0 HB3 PRO A 96 9.446 -2.824 -2.113 1.00 45.23 H new ATOM 0 HG2 PRO A 96 8.432 -3.277 0.299 1.00 11.05 H new ATOM 0 HG3 PRO A 96 10.111 -3.664 -0.020 1.00 11.05 H new ATOM 0 HD2 PRO A 96 8.967 -1.333 1.506 1.00 41.41 H new ATOM 0 HD3 PRO A 96 10.429 -2.246 1.823 1.00 41.41 H new ATOM 1615 N ALA A 97 9.489 1.161 -1.338 1.00 11.34 N ATOM 1616 CA ALA A 97 9.086 2.407 -1.987 1.00 73.42 C ATOM 1617 C ALA A 97 10.279 3.344 -2.197 1.00 64.12 C ATOM 1618 O ALA A 97 10.184 4.326 -2.932 1.00 21.45 O ATOM 1619 CB ALA A 97 8.009 3.102 -1.168 1.00 33.22 C ATOM 0 H ALA A 97 9.311 1.134 -0.334 1.00 11.34 H new ATOM 0 HA ALA A 97 8.684 2.156 -2.968 1.00 73.42 H new ATOM 0 HB1 ALA A 97 7.717 4.029 -1.662 1.00 33.22 H new ATOM 0 HB2 ALA A 97 7.141 2.449 -1.080 1.00 33.22 H new ATOM 0 HB3 ALA A 97 8.396 3.327 -0.174 1.00 33.22 H new ATOM 1625 N ALA A 98 11.408 3.021 -1.571 1.00 1.04 N ATOM 1626 CA ALA A 98 12.605 3.859 -1.646 1.00 54.33 C ATOM 1627 C ALA A 98 13.263 3.787 -3.021 1.00 65.10 C ATOM 1628 O ALA A 98 14.229 4.501 -3.294 1.00 52.11 O ATOM 1629 CB ALA A 98 13.605 3.463 -0.572 1.00 25.54 C ATOM 0 H ALA A 98 11.520 2.181 -1.003 1.00 1.04 H new ATOM 0 HA ALA A 98 12.288 4.888 -1.479 1.00 54.33 H new ATOM 0 HB1 ALA A 98 14.488 4.098 -0.645 1.00 25.54 H new ATOM 0 HB2 ALA A 98 13.150 3.585 0.411 1.00 25.54 H new ATOM 0 HB3 ALA A 98 13.895 2.421 -0.711 1.00 25.54 H new ATOM 1635 N ALA A 99 12.746 2.915 -3.879 1.00 12.50 N ATOM 1636 CA ALA A 99 13.214 2.832 -5.256 1.00 31.14 C ATOM 1637 C ALA A 99 12.635 3.982 -6.069 1.00 71.31 C ATOM 1638 O ALA A 99 13.027 4.216 -7.213 1.00 24.51 O ATOM 1639 CB ALA A 99 12.825 1.496 -5.871 1.00 10.34 C ATOM 0 H ALA A 99 12.003 2.256 -3.645 1.00 12.50 H new ATOM 0 HA ALA A 99 14.301 2.907 -5.264 1.00 31.14 H new ATOM 0 HB1 ALA A 99 13.182 1.451 -6.900 1.00 10.34 H new ATOM 0 HB2 ALA A 99 13.273 0.686 -5.295 1.00 10.34 H new ATOM 0 HB3 ALA A 99 11.740 1.392 -5.859 1.00 10.34 H new ATOM 1645 N PHE A 100 11.702 4.700 -5.458 1.00 43.34 N ATOM 1646 CA PHE A 100 11.037 5.821 -6.097 1.00 31.42 C ATOM 1647 C PHE A 100 11.123 7.039 -5.193 1.00 50.54 C ATOM 1648 O PHE A 100 11.769 6.989 -4.144 1.00 44.43 O ATOM 1649 CB PHE A 100 9.573 5.476 -6.370 1.00 41.13 C ATOM 1650 CG PHE A 100 9.397 4.133 -7.011 1.00 42.40 C ATOM 1651 CD1 PHE A 100 9.570 3.974 -8.375 1.00 20.35 C ATOM 1652 CD2 PHE A 100 9.079 3.023 -6.244 1.00 42.11 C ATOM 1653 CE1 PHE A 100 9.427 2.734 -8.962 1.00 13.41 C ATOM 1654 CE2 PHE A 100 8.939 1.782 -6.826 1.00 62.02 C ATOM 1655 CZ PHE A 100 9.113 1.638 -8.186 1.00 12.22 C ATOM 0 H PHE A 100 11.387 4.519 -4.505 1.00 43.34 H new ATOM 0 HA PHE A 100 11.528 6.038 -7.046 1.00 31.42 H new ATOM 0 HB2 PHE A 100 9.019 5.500 -5.432 1.00 41.13 H new ATOM 0 HB3 PHE A 100 9.140 6.240 -7.016 1.00 41.13 H new ATOM 0 HD1 PHE A 100 9.819 4.829 -8.986 1.00 20.35 H new ATOM 0 HD2 PHE A 100 8.939 3.132 -5.179 1.00 42.11 H new ATOM 0 HE1 PHE A 100 9.561 2.622 -10.028 1.00 13.41 H new ATOM 0 HE2 PHE A 100 8.693 0.924 -6.218 1.00 62.02 H new ATOM 0 HZ PHE A 100 9.003 0.666 -8.644 1.00 12.22 H new