USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 848 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 12 LYS NZ :NH3+ 179:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 0.62 K(o=1.8,f=-4.5) USER MOD Set 2.1: A 72 SER OG : rot 145:sc= 0.754 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.605 K(o=1.4,f=-0.26) USER MOD Set 3.1: A 29 TYR OH : rot 145:sc= 1.16 USER MOD Set 3.2: A 97 THR OG1 : rot 110:sc= 2.06 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= 1.02 (180deg=-0.201) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.851 K(o=0.85,f=-5.8!) USER MOD Single : A 39 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -89:sc= 0.436 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0312) USER MOD Single : A 57 CYS SG : rot -130:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 130:sc= -1.15 USER MOD Single : A 87 CYS SG : rot 110:sc= -0.268 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 0.28 (180deg=-0.0167) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.476 K(o=0.48,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.069 2.790 -13.248 1.00 41.31 N ATOM 68 CA VAL A 7 8.022 3.710 -13.857 1.00 72.01 C ATOM 69 C VAL A 7 9.435 3.456 -13.344 1.00 20.24 C ATOM 70 O VAL A 7 10.356 3.210 -14.123 1.00 11.41 O ATOM 71 CB VAL A 7 7.642 5.176 -13.581 1.00 32.14 C ATOM 72 CG1 VAL A 7 8.515 6.117 -14.397 1.00 61.32 C ATOM 73 CG2 VAL A 7 6.169 5.410 -13.878 1.00 3.31 C ATOM 0 HA VAL A 7 7.992 3.532 -14.932 1.00 72.01 H new ATOM 0 HB VAL A 7 7.813 5.384 -12.525 1.00 32.14 H new ATOM 0 HG11 VAL A 7 8.232 7.149 -14.189 1.00 61.32 H new ATOM 0 HG12 VAL A 7 9.561 5.967 -14.129 1.00 61.32 H new ATOM 0 HG13 VAL A 7 8.379 5.911 -15.459 1.00 61.32 H new ATOM 0 HG21 VAL A 7 5.918 6.452 -13.677 1.00 3.31 H new ATOM 0 HG22 VAL A 7 5.969 5.184 -14.925 1.00 3.31 H new ATOM 0 HG23 VAL A 7 5.563 4.762 -13.245 1.00 3.31 H new ATOM 83 N LEU A 8 9.600 3.518 -12.027 1.00 5.11 N ATOM 84 CA LEU A 8 10.902 3.295 -11.407 1.00 3.22 C ATOM 85 C LEU A 8 10.841 2.136 -10.417 1.00 31.22 C ATOM 86 O LEU A 8 9.990 2.111 -9.527 1.00 14.00 O ATOM 87 CB LEU A 8 11.375 4.564 -10.697 1.00 23.43 C ATOM 88 CG LEU A 8 11.715 5.751 -11.599 1.00 33.34 C ATOM 89 CD1 LEU A 8 12.288 6.898 -10.780 1.00 54.40 C ATOM 90 CD2 LEU A 8 12.693 5.330 -12.687 1.00 72.04 C ATOM 0 H LEU A 8 8.849 3.721 -11.368 1.00 5.11 H new ATOM 0 HA LEU A 8 11.613 3.040 -12.193 1.00 3.22 H new ATOM 0 HB2 LEU A 8 10.599 4.875 -9.998 1.00 23.43 H new ATOM 0 HB3 LEU A 8 12.257 4.318 -10.106 1.00 23.43 H new ATOM 0 HG LEU A 8 10.797 6.095 -12.075 1.00 33.34 H new ATOM 0 HD11 LEU A 8 12.524 7.733 -11.439 1.00 54.40 H new ATOM 0 HD12 LEU A 8 11.556 7.217 -10.038 1.00 54.40 H new ATOM 0 HD13 LEU A 8 13.196 6.567 -10.275 1.00 54.40 H new ATOM 0 HD21 LEU A 8 12.924 6.187 -13.320 1.00 72.04 H new ATOM 0 HD22 LEU A 8 13.610 4.960 -12.229 1.00 72.04 H new ATOM 0 HD23 LEU A 8 12.246 4.542 -13.293 1.00 72.04 H new ATOM 102 N ARG A 9 11.751 1.181 -10.575 1.00 42.44 N ATOM 103 CA ARG A 9 11.802 0.020 -9.695 1.00 32.44 C ATOM 104 C ARG A 9 12.527 0.357 -8.395 1.00 52.41 C ATOM 105 O ARG A 9 12.811 1.520 -8.113 1.00 1.44 O ATOM 106 CB ARG A 9 12.500 -1.147 -10.394 1.00 31.05 C ATOM 107 CG ARG A 9 13.970 -0.892 -10.683 1.00 32.31 C ATOM 108 CD ARG A 9 14.403 -1.543 -11.988 1.00 45.33 C ATOM 109 NE ARG A 9 14.441 -2.999 -11.887 1.00 52.12 N ATOM 110 CZ ARG A 9 14.539 -3.806 -12.938 1.00 3.42 C ATOM 111 NH1 ARG A 9 14.607 -3.301 -14.161 1.00 54.32 N ATOM 112 NH2 ARG A 9 14.568 -5.122 -12.765 1.00 3.23 N ATOM 0 H ARG A 9 12.464 1.188 -11.305 1.00 42.44 H new ATOM 0 HA ARG A 9 10.779 -0.270 -9.456 1.00 32.44 H new ATOM 0 HB2 ARG A 9 12.410 -2.038 -9.773 1.00 31.05 H new ATOM 0 HB3 ARG A 9 11.985 -1.358 -11.331 1.00 31.05 H new ATOM 0 HG2 ARG A 9 14.151 0.182 -10.733 1.00 32.31 H new ATOM 0 HG3 ARG A 9 14.575 -1.279 -9.864 1.00 32.31 H new ATOM 0 HD2 ARG A 9 13.716 -1.253 -12.783 1.00 45.33 H new ATOM 0 HD3 ARG A 9 15.389 -1.173 -12.268 1.00 45.33 H new ATOM 0 HE ARG A 9 14.390 -3.420 -10.959 1.00 52.12 H new ATOM 0 HH11 ARG A 9 14.584 -2.290 -14.297 1.00 54.32 H new ATOM 0 HH12 ARG A 9 14.682 -3.923 -14.966 1.00 54.32 H new ATOM 0 HH21 ARG A 9 14.515 -5.514 -11.825 1.00 3.23 H new ATOM 0 HH22 ARG A 9 14.643 -5.741 -13.572 1.00 3.23 H new ATOM 126 N GLY A 10 12.824 -0.673 -7.606 1.00 25.52 N ATOM 127 CA GLY A 10 13.512 -0.465 -6.345 1.00 11.23 C ATOM 128 C GLY A 10 14.931 0.032 -6.534 1.00 74.25 C ATOM 129 O GLY A 10 15.388 0.918 -5.811 1.00 62.31 O ATOM 0 H GLY A 10 12.601 -1.645 -7.818 1.00 25.52 H new ATOM 0 HA2 GLY A 10 12.955 0.255 -5.745 1.00 11.23 H new ATOM 0 HA3 GLY A 10 13.529 -1.400 -5.786 1.00 11.23 H new ATOM 133 N LYS A 11 15.632 -0.539 -7.507 1.00 43.13 N ATOM 134 CA LYS A 11 17.009 -0.149 -7.790 1.00 42.53 C ATOM 135 C LYS A 11 17.056 1.195 -8.509 1.00 40.32 C ATOM 136 O LYS A 11 18.047 1.921 -8.426 1.00 35.23 O ATOM 137 CB LYS A 11 17.699 -1.219 -8.640 1.00 62.14 C ATOM 138 CG LYS A 11 17.909 -2.534 -7.910 1.00 3.24 C ATOM 139 CD LYS A 11 19.384 -2.880 -7.798 1.00 22.14 C ATOM 140 CE LYS A 11 19.978 -2.372 -6.493 1.00 60.21 C ATOM 141 NZ LYS A 11 21.195 -3.136 -6.103 1.00 14.31 N ATOM 0 H LYS A 11 15.269 -1.274 -8.114 1.00 43.13 H new ATOM 0 HA LYS A 11 17.536 -0.052 -6.841 1.00 42.53 H new ATOM 0 HB2 LYS A 11 17.103 -1.401 -9.534 1.00 62.14 H new ATOM 0 HB3 LYS A 11 18.665 -0.840 -8.973 1.00 62.14 H new ATOM 0 HG2 LYS A 11 17.472 -2.472 -6.913 1.00 3.24 H new ATOM 0 HG3 LYS A 11 17.386 -3.332 -8.438 1.00 3.24 H new ATOM 0 HD2 LYS A 11 19.511 -3.961 -7.860 1.00 22.14 H new ATOM 0 HD3 LYS A 11 19.925 -2.446 -8.639 1.00 22.14 H new ATOM 0 HE2 LYS A 11 20.229 -1.316 -6.595 1.00 60.21 H new ATOM 0 HE3 LYS A 11 19.233 -2.447 -5.701 1.00 60.21 H new ATOM 0 HZ1 LYS A 11 21.570 -2.759 -5.209 1.00 14.31 H new ATOM 0 HZ2 LYS A 11 20.951 -4.139 -5.981 1.00 14.31 H new ATOM 0 HZ3 LYS A 11 21.916 -3.044 -6.847 1.00 14.31 H new ATOM 155 N LYS A 12 15.978 1.522 -9.214 1.00 74.54 N ATOM 156 CA LYS A 12 15.896 2.781 -9.946 1.00 61.44 C ATOM 157 C LYS A 12 15.488 3.923 -9.020 1.00 75.21 C ATOM 158 O LYS A 12 16.015 5.031 -9.117 1.00 63.12 O ATOM 159 CB LYS A 12 14.893 2.661 -11.096 1.00 1.12 C ATOM 160 CG LYS A 12 15.407 1.842 -12.267 1.00 44.34 C ATOM 161 CD LYS A 12 14.392 1.788 -13.398 1.00 33.11 C ATOM 162 CE LYS A 12 14.907 0.966 -14.569 1.00 60.35 C ATOM 163 NZ LYS A 12 14.069 1.152 -15.787 1.00 75.11 N ATOM 0 H LYS A 12 15.149 0.933 -9.294 1.00 74.54 H new ATOM 0 HA LYS A 12 16.883 3.001 -10.353 1.00 61.44 H new ATOM 0 HB2 LYS A 12 13.975 2.208 -10.721 1.00 1.12 H new ATOM 0 HB3 LYS A 12 14.634 3.660 -11.447 1.00 1.12 H new ATOM 0 HG2 LYS A 12 16.339 2.274 -12.633 1.00 44.34 H new ATOM 0 HG3 LYS A 12 15.635 0.830 -11.932 1.00 44.34 H new ATOM 0 HD2 LYS A 12 13.460 1.358 -13.032 1.00 33.11 H new ATOM 0 HD3 LYS A 12 14.166 2.800 -13.734 1.00 33.11 H new ATOM 0 HE2 LYS A 12 15.936 1.251 -14.789 1.00 60.35 H new ATOM 0 HE3 LYS A 12 14.920 -0.089 -14.295 1.00 60.35 H new ATOM 0 HZ1 LYS A 12 14.462 0.589 -16.568 1.00 75.11 H new ATOM 0 HZ2 LYS A 12 13.097 0.840 -15.590 1.00 75.11 H new ATOM 0 HZ3 LYS A 12 14.063 2.157 -16.054 1.00 75.11 H new ATOM 177 N ALA A 13 14.550 3.644 -8.122 1.00 44.42 N ATOM 178 CA ALA A 13 14.074 4.647 -7.177 1.00 34.34 C ATOM 179 C ALA A 13 15.239 5.319 -6.458 1.00 74.43 C ATOM 180 O ALA A 13 15.216 6.524 -6.209 1.00 62.11 O ATOM 181 CB ALA A 13 13.126 4.015 -6.169 1.00 65.13 C ATOM 0 H ALA A 13 14.104 2.731 -8.029 1.00 44.42 H new ATOM 0 HA ALA A 13 13.535 5.411 -7.737 1.00 34.34 H new ATOM 0 HB1 ALA A 13 12.779 4.776 -5.470 1.00 65.13 H new ATOM 0 HB2 ALA A 13 12.272 3.586 -6.692 1.00 65.13 H new ATOM 0 HB3 ALA A 13 13.648 3.230 -5.621 1.00 65.13 H new ATOM 187 N ASP A 14 16.258 4.532 -6.128 1.00 14.12 N ATOM 188 CA ASP A 14 17.434 5.051 -5.438 1.00 24.11 C ATOM 189 C ASP A 14 18.132 6.114 -6.280 1.00 23.34 C ATOM 190 O ASP A 14 18.325 7.245 -5.834 1.00 24.04 O ATOM 191 CB ASP A 14 18.406 3.915 -5.117 1.00 63.42 C ATOM 192 CG ASP A 14 18.812 3.895 -3.657 1.00 24.03 C ATOM 193 OD1 ASP A 14 19.441 4.874 -3.202 1.00 60.50 O ATOM 194 OD2 ASP A 14 18.499 2.902 -2.968 1.00 52.05 O ATOM 0 H ASP A 14 16.293 3.532 -6.327 1.00 14.12 H new ATOM 0 HA ASP A 14 17.105 5.510 -4.506 1.00 24.11 H new ATOM 0 HB2 ASP A 14 17.944 2.962 -5.376 1.00 63.42 H new ATOM 0 HB3 ASP A 14 19.297 4.017 -5.737 1.00 63.42 H new ATOM 199 N GLU A 15 18.510 5.743 -7.498 1.00 54.43 N ATOM 200 CA GLU A 15 19.189 6.665 -8.401 1.00 41.54 C ATOM 201 C GLU A 15 18.456 8.001 -8.469 1.00 5.43 C ATOM 202 O GLU A 15 19.078 9.060 -8.546 1.00 22.20 O ATOM 203 CB GLU A 15 19.294 6.057 -9.803 1.00 25.15 C ATOM 204 CG GLU A 15 20.625 5.376 -10.073 1.00 1.33 C ATOM 205 CD GLU A 15 20.549 4.380 -11.213 1.00 52.03 C ATOM 206 OE1 GLU A 15 19.796 4.637 -12.176 1.00 0.42 O ATOM 207 OE2 GLU A 15 21.242 3.343 -11.144 1.00 10.42 O ATOM 0 H GLU A 15 18.358 4.811 -7.883 1.00 54.43 H new ATOM 0 HA GLU A 15 20.192 6.840 -8.012 1.00 41.54 H new ATOM 0 HB2 GLU A 15 18.491 5.332 -9.937 1.00 25.15 H new ATOM 0 HB3 GLU A 15 19.141 6.843 -10.543 1.00 25.15 H new ATOM 0 HG2 GLU A 15 21.375 6.132 -10.305 1.00 1.33 H new ATOM 0 HG3 GLU A 15 20.957 4.864 -9.170 1.00 1.33 H new ATOM 214 N LEU A 16 17.128 7.942 -8.437 1.00 51.21 N ATOM 215 CA LEU A 16 16.308 9.148 -8.494 1.00 52.43 C ATOM 216 C LEU A 16 16.556 10.033 -7.278 1.00 44.40 C ATOM 217 O LEU A 16 16.873 11.214 -7.413 1.00 13.24 O ATOM 218 CB LEU A 16 14.826 8.776 -8.576 1.00 52.44 C ATOM 219 CG LEU A 16 13.871 9.905 -8.967 1.00 14.01 C ATOM 220 CD1 LEU A 16 13.705 10.885 -7.816 1.00 73.10 C ATOM 221 CD2 LEU A 16 14.374 10.621 -10.212 1.00 10.11 C ATOM 0 H LEU A 16 16.597 7.073 -8.372 1.00 51.21 H new ATOM 0 HA LEU A 16 16.586 9.706 -9.388 1.00 52.43 H new ATOM 0 HB2 LEU A 16 14.715 7.967 -9.298 1.00 52.44 H new ATOM 0 HB3 LEU A 16 14.516 8.384 -7.607 1.00 52.44 H new ATOM 0 HG LEU A 16 12.897 9.471 -9.191 1.00 14.01 H new ATOM 0 HD11 LEU A 16 13.022 11.682 -8.112 1.00 73.10 H new ATOM 0 HD12 LEU A 16 13.300 10.363 -6.949 1.00 73.10 H new ATOM 0 HD13 LEU A 16 14.674 11.314 -7.561 1.00 73.10 H new ATOM 0 HD21 LEU A 16 13.682 11.421 -10.476 1.00 10.11 H new ATOM 0 HD22 LEU A 16 15.360 11.043 -10.016 1.00 10.11 H new ATOM 0 HD23 LEU A 16 14.441 9.912 -11.037 1.00 10.11 H new ATOM 233 N GLU A 17 16.410 9.453 -6.090 1.00 53.12 N ATOM 234 CA GLU A 17 16.620 10.190 -4.851 1.00 1.13 C ATOM 235 C GLU A 17 18.056 10.698 -4.755 1.00 51.41 C ATOM 236 O GLU A 17 18.349 11.624 -3.999 1.00 12.21 O ATOM 237 CB GLU A 17 16.299 9.305 -3.644 1.00 50.25 C ATOM 238 CG GLU A 17 15.534 10.025 -2.546 1.00 21.50 C ATOM 239 CD GLU A 17 16.287 10.049 -1.230 1.00 13.52 C ATOM 240 OE1 GLU A 17 17.528 10.182 -1.259 1.00 51.34 O ATOM 241 OE2 GLU A 17 15.635 9.935 -0.171 1.00 40.42 O ATOM 0 H GLU A 17 16.147 8.476 -5.961 1.00 53.12 H new ATOM 0 HA GLU A 17 15.949 11.049 -4.852 1.00 1.13 H new ATOM 0 HB2 GLU A 17 15.716 8.447 -3.978 1.00 50.25 H new ATOM 0 HB3 GLU A 17 17.230 8.916 -3.231 1.00 50.25 H new ATOM 0 HG2 GLU A 17 15.329 11.048 -2.862 1.00 21.50 H new ATOM 0 HG3 GLU A 17 14.570 9.537 -2.400 1.00 21.50 H new ATOM 248 N ARG A 18 18.947 10.083 -5.526 1.00 64.25 N ATOM 249 CA ARG A 18 20.351 10.470 -5.528 1.00 74.21 C ATOM 250 C ARG A 18 20.567 11.732 -6.359 1.00 25.44 C ATOM 251 O ARG A 18 21.426 12.556 -6.042 1.00 41.31 O ATOM 252 CB ARG A 18 21.216 9.332 -6.076 1.00 22.55 C ATOM 253 CG ARG A 18 22.657 9.376 -5.593 1.00 40.42 C ATOM 254 CD ARG A 18 23.018 8.123 -4.809 1.00 21.44 C ATOM 255 NE ARG A 18 23.008 6.929 -5.650 1.00 34.35 N ATOM 256 CZ ARG A 18 23.417 5.735 -5.234 1.00 5.21 C ATOM 257 NH1 ARG A 18 23.866 5.578 -3.996 1.00 44.44 N ATOM 258 NH2 ARG A 18 23.377 4.696 -6.058 1.00 11.21 N ATOM 0 H ARG A 18 18.720 9.314 -6.157 1.00 64.25 H new ATOM 0 HA ARG A 18 20.645 10.678 -4.499 1.00 74.21 H new ATOM 0 HB2 ARG A 18 20.774 8.379 -5.787 1.00 22.55 H new ATOM 0 HB3 ARG A 18 21.205 9.371 -7.165 1.00 22.55 H new ATOM 0 HG2 ARG A 18 23.326 9.478 -6.448 1.00 40.42 H new ATOM 0 HG3 ARG A 18 22.805 10.255 -4.966 1.00 40.42 H new ATOM 0 HD2 ARG A 18 24.006 8.245 -4.365 1.00 21.44 H new ATOM 0 HD3 ARG A 18 22.313 7.994 -3.988 1.00 21.44 H new ATOM 0 HE ARG A 18 22.669 7.016 -6.608 1.00 34.35 H new ATOM 0 HH11 ARG A 18 23.898 6.375 -3.360 1.00 44.44 H new ATOM 0 HH12 ARG A 18 24.179 4.660 -3.680 1.00 44.44 H new ATOM 0 HH21 ARG A 18 23.032 4.814 -7.011 1.00 11.21 H new ATOM 0 HH22 ARG A 18 23.691 3.780 -5.739 1.00 11.21 H new ATOM 272 N ILE A 19 19.782 11.876 -7.421 1.00 21.51 N ATOM 273 CA ILE A 19 19.887 13.037 -8.296 1.00 44.02 C ATOM 274 C ILE A 19 19.478 14.313 -7.567 1.00 33.11 C ATOM 275 O ILE A 19 18.473 14.340 -6.858 1.00 4.11 O ATOM 276 CB ILE A 19 19.013 12.875 -9.553 1.00 3.32 C ATOM 277 CG1 ILE A 19 19.427 11.624 -10.331 1.00 24.20 C ATOM 278 CG2 ILE A 19 19.116 14.112 -10.433 1.00 30.50 C ATOM 279 CD1 ILE A 19 18.262 10.889 -10.956 1.00 72.42 C ATOM 0 H ILE A 19 19.066 11.203 -7.696 1.00 21.51 H new ATOM 0 HA ILE A 19 20.932 13.112 -8.597 1.00 44.02 H new ATOM 0 HB ILE A 19 17.974 12.760 -9.243 1.00 3.32 H new ATOM 0 HG12 ILE A 19 20.129 11.909 -11.115 1.00 24.20 H new ATOM 0 HG13 ILE A 19 19.956 10.947 -9.660 1.00 24.20 H new ATOM 0 HG21 ILE A 19 18.493 13.982 -11.318 1.00 30.50 H new ATOM 0 HG22 ILE A 19 18.777 14.985 -9.875 1.00 30.50 H new ATOM 0 HG23 ILE A 19 20.153 14.256 -10.738 1.00 30.50 H new ATOM 0 HD11 ILE A 19 18.629 10.013 -11.491 1.00 72.42 H new ATOM 0 HD12 ILE A 19 17.570 10.573 -10.175 1.00 72.42 H new ATOM 0 HD13 ILE A 19 17.746 11.550 -11.652 1.00 72.42 H new ATOM 291 N ARG A 20 20.265 15.369 -7.748 1.00 70.21 N ATOM 292 CA ARG A 20 19.986 16.648 -7.109 1.00 24.32 C ATOM 293 C ARG A 20 19.219 17.572 -8.052 1.00 55.10 C ATOM 294 O ARG A 20 19.509 17.635 -9.248 1.00 15.22 O ATOM 295 CB ARG A 20 21.289 17.319 -6.668 1.00 45.34 C ATOM 296 CG ARG A 20 21.843 16.774 -5.363 1.00 1.22 C ATOM 297 CD ARG A 20 23.332 17.050 -5.231 1.00 1.02 C ATOM 298 NE ARG A 20 24.126 15.829 -5.331 1.00 74.10 N ATOM 299 CZ ARG A 20 25.431 15.819 -5.584 1.00 24.32 C ATOM 300 NH1 ARG A 20 26.083 16.960 -5.760 1.00 10.11 N ATOM 301 NH2 ARG A 20 26.084 14.667 -5.659 1.00 62.51 N ATOM 0 H ARG A 20 21.101 15.363 -8.332 1.00 70.21 H new ATOM 0 HA ARG A 20 19.368 16.459 -6.231 1.00 24.32 H new ATOM 0 HB2 ARG A 20 22.036 17.192 -7.451 1.00 45.34 H new ATOM 0 HB3 ARG A 20 21.118 18.390 -6.561 1.00 45.34 H new ATOM 0 HG2 ARG A 20 21.313 17.226 -4.525 1.00 1.22 H new ATOM 0 HG3 ARG A 20 21.665 15.700 -5.311 1.00 1.22 H new ATOM 0 HD2 ARG A 20 23.642 17.748 -6.009 1.00 1.02 H new ATOM 0 HD3 ARG A 20 23.528 17.532 -4.273 1.00 1.02 H new ATOM 0 HE ARG A 20 23.654 14.935 -5.200 1.00 74.10 H new ATOM 0 HH11 ARG A 20 25.583 17.847 -5.701 1.00 10.11 H new ATOM 0 HH12 ARG A 20 27.084 16.951 -5.954 1.00 10.11 H new ATOM 0 HH21 ARG A 20 25.585 13.788 -5.523 1.00 62.51 H new ATOM 0 HH22 ARG A 20 27.085 14.660 -5.853 1.00 62.51 H new ATOM 315 N LEU A 21 18.241 18.286 -7.507 1.00 43.55 N ATOM 316 CA LEU A 21 17.433 19.206 -8.300 1.00 1.11 C ATOM 317 C LEU A 21 18.301 20.286 -8.935 1.00 72.41 C ATOM 318 O LEU A 21 18.061 20.704 -10.067 1.00 61.12 O ATOM 319 CB LEU A 21 16.354 19.851 -7.427 1.00 11.24 C ATOM 320 CG LEU A 21 15.174 18.957 -7.048 1.00 14.51 C ATOM 321 CD1 LEU A 21 14.258 19.668 -6.064 1.00 25.41 C ATOM 322 CD2 LEU A 21 14.402 18.537 -8.291 1.00 30.04 C ATOM 0 H LEU A 21 17.988 18.246 -6.520 1.00 43.55 H new ATOM 0 HA LEU A 21 16.955 18.636 -9.097 1.00 1.11 H new ATOM 0 HB2 LEU A 21 16.823 20.208 -6.510 1.00 11.24 H new ATOM 0 HB3 LEU A 21 15.968 20.726 -7.949 1.00 11.24 H new ATOM 0 HG LEU A 21 15.563 18.060 -6.566 1.00 14.51 H new ATOM 0 HD11 LEU A 21 13.424 19.015 -5.806 1.00 25.41 H new ATOM 0 HD12 LEU A 21 14.816 19.917 -5.162 1.00 25.41 H new ATOM 0 HD13 LEU A 21 13.876 20.583 -6.518 1.00 25.41 H new ATOM 0 HD21 LEU A 21 13.565 17.901 -8.002 1.00 30.04 H new ATOM 0 HD22 LEU A 21 14.025 19.423 -8.802 1.00 30.04 H new ATOM 0 HD23 LEU A 21 15.062 17.986 -8.961 1.00 30.04 H new ATOM 334 N ARG A 22 19.314 20.733 -8.198 1.00 53.01 N ATOM 335 CA ARG A 22 20.220 21.763 -8.690 1.00 31.20 C ATOM 336 C ARG A 22 21.673 21.316 -8.563 1.00 55.04 C ATOM 337 O ARG A 22 22.003 20.399 -7.810 1.00 42.23 O ATOM 338 CB ARG A 22 20.009 23.068 -7.921 1.00 5.35 C ATOM 339 CG ARG A 22 19.209 24.107 -8.690 1.00 53.34 C ATOM 340 CD ARG A 22 17.957 24.519 -7.934 1.00 5.35 C ATOM 341 NE ARG A 22 16.823 24.733 -8.829 1.00 5.32 N ATOM 342 CZ ARG A 22 16.715 25.778 -9.642 1.00 3.34 C ATOM 343 NH1 ARG A 22 17.669 26.698 -9.673 1.00 12.31 N ATOM 344 NH2 ARG A 22 15.652 25.903 -10.427 1.00 15.12 N ATOM 0 H ARG A 22 19.527 20.397 -7.259 1.00 53.01 H new ATOM 0 HA ARG A 22 20.000 21.930 -9.744 1.00 31.20 H new ATOM 0 HB2 ARG A 22 19.497 22.849 -6.984 1.00 5.35 H new ATOM 0 HB3 ARG A 22 20.981 23.489 -7.663 1.00 5.35 H new ATOM 0 HG2 ARG A 22 19.830 24.984 -8.872 1.00 53.34 H new ATOM 0 HG3 ARG A 22 18.931 23.705 -9.664 1.00 53.34 H new ATOM 0 HD2 ARG A 22 17.704 23.749 -7.205 1.00 5.35 H new ATOM 0 HD3 ARG A 22 18.155 25.434 -7.375 1.00 5.35 H new ATOM 0 HE ARG A 22 16.073 24.042 -8.830 1.00 5.32 H new ATOM 0 HH11 ARG A 22 18.488 26.604 -9.072 1.00 12.31 H new ATOM 0 HH12 ARG A 22 17.584 27.500 -10.298 1.00 12.31 H new ATOM 0 HH21 ARG A 22 14.917 25.196 -10.406 1.00 15.12 H new ATOM 0 HH22 ARG A 22 15.570 26.706 -11.051 1.00 15.12 H new ATOM 358 N PRO A 23 22.565 21.976 -9.318 1.00 42.24 N ATOM 359 CA PRO A 23 23.997 21.663 -9.308 1.00 13.24 C ATOM 360 C PRO A 23 24.667 22.059 -7.996 1.00 53.23 C ATOM 361 O PRO A 23 25.613 21.410 -7.551 1.00 23.24 O ATOM 362 CB PRO A 23 24.550 22.499 -10.465 1.00 14.41 C ATOM 363 CG PRO A 23 23.593 23.630 -10.608 1.00 44.10 C ATOM 364 CD PRO A 23 22.243 23.079 -10.239 1.00 4.52 C ATOM 0 HA PRO A 23 24.182 20.594 -9.410 1.00 13.24 H new ATOM 0 HB2 PRO A 23 25.556 22.857 -10.248 1.00 14.41 H new ATOM 0 HB3 PRO A 23 24.611 21.914 -11.382 1.00 14.41 H new ATOM 0 HG2 PRO A 23 23.868 24.459 -9.956 1.00 44.10 H new ATOM 0 HG3 PRO A 23 23.592 24.014 -11.628 1.00 44.10 H new ATOM 0 HD2 PRO A 23 21.618 23.833 -9.760 1.00 4.52 H new ATOM 0 HD3 PRO A 23 21.700 22.725 -11.115 1.00 4.52 H new ATOM 372 N GLY A 24 24.170 23.129 -7.382 1.00 55.14 N ATOM 373 CA GLY A 24 24.733 23.591 -6.127 1.00 64.44 C ATOM 374 C GLY A 24 23.694 23.698 -5.030 1.00 24.31 C ATOM 375 O GLY A 24 23.872 24.442 -4.067 1.00 23.35 O ATOM 0 H GLY A 24 23.388 23.683 -7.731 1.00 55.14 H new ATOM 0 HA2 GLY A 24 25.520 22.906 -5.812 1.00 64.44 H new ATOM 0 HA3 GLY A 24 25.199 24.565 -6.278 1.00 64.44 H new ATOM 379 N GLY A 25 22.603 22.953 -5.176 1.00 3.44 N ATOM 380 CA GLY A 25 21.545 22.983 -4.182 1.00 33.45 C ATOM 381 C GLY A 25 21.667 21.859 -3.172 1.00 4.03 C ATOM 382 O GLY A 25 22.672 21.150 -3.138 1.00 61.03 O ATOM 0 H GLY A 25 22.432 22.329 -5.965 1.00 3.44 H new ATOM 0 HA2 GLY A 25 21.567 23.940 -3.661 1.00 33.45 H new ATOM 0 HA3 GLY A 25 20.579 22.915 -4.682 1.00 33.45 H new ATOM 386 N LYS A 26 20.639 21.696 -2.345 1.00 51.52 N ATOM 387 CA LYS A 26 20.633 20.650 -1.329 1.00 12.35 C ATOM 388 C LYS A 26 19.359 19.816 -1.413 1.00 51.13 C ATOM 389 O LYS A 26 19.116 18.948 -0.575 1.00 14.04 O ATOM 390 CB LYS A 26 20.761 21.266 0.067 1.00 74.42 C ATOM 391 CG LYS A 26 22.174 21.222 0.624 1.00 51.12 C ATOM 392 CD LYS A 26 22.187 21.448 2.127 1.00 61.44 C ATOM 393 CE LYS A 26 23.581 21.797 2.624 1.00 21.24 C ATOM 394 NZ LYS A 26 23.780 21.395 4.045 1.00 64.33 N ATOM 0 H LYS A 26 19.799 22.275 -2.359 1.00 51.52 H new ATOM 0 HA LYS A 26 21.486 19.997 -1.511 1.00 12.35 H new ATOM 0 HB2 LYS A 26 20.426 22.303 0.030 1.00 74.42 H new ATOM 0 HB3 LYS A 26 20.094 20.740 0.750 1.00 74.42 H new ATOM 0 HG2 LYS A 26 22.626 20.257 0.396 1.00 51.12 H new ATOM 0 HG3 LYS A 26 22.783 21.983 0.135 1.00 51.12 H new ATOM 0 HD2 LYS A 26 21.497 22.252 2.381 1.00 61.44 H new ATOM 0 HD3 LYS A 26 21.832 20.551 2.634 1.00 61.44 H new ATOM 0 HE2 LYS A 26 24.324 21.302 1.999 1.00 21.24 H new ATOM 0 HE3 LYS A 26 23.744 22.870 2.524 1.00 21.24 H new ATOM 0 HZ1 LYS A 26 24.742 21.650 4.346 1.00 64.33 H new ATOM 0 HZ2 LYS A 26 23.088 21.887 4.645 1.00 64.33 H new ATOM 0 HZ3 LYS A 26 23.649 20.367 4.137 1.00 64.33 H new ATOM 408 N LYS A 27 18.549 20.083 -2.431 1.00 44.14 N ATOM 409 CA LYS A 27 17.300 19.356 -2.628 1.00 52.23 C ATOM 410 C LYS A 27 17.452 18.301 -3.719 1.00 63.04 C ATOM 411 O LYS A 27 17.984 18.576 -4.794 1.00 72.32 O ATOM 412 CB LYS A 27 16.174 20.326 -2.993 1.00 54.42 C ATOM 413 CG LYS A 27 15.831 21.305 -1.884 1.00 2.30 C ATOM 414 CD LYS A 27 15.999 22.744 -2.340 1.00 71.12 C ATOM 415 CE LYS A 27 15.798 23.720 -1.190 1.00 63.45 C ATOM 416 NZ LYS A 27 14.415 24.270 -1.165 1.00 41.14 N ATOM 0 H LYS A 27 18.735 20.799 -3.134 1.00 44.14 H new ATOM 0 HA LYS A 27 17.049 18.853 -1.694 1.00 52.23 H new ATOM 0 HB2 LYS A 27 16.462 20.885 -3.883 1.00 54.42 H new ATOM 0 HB3 LYS A 27 15.282 19.754 -3.250 1.00 54.42 H new ATOM 0 HG2 LYS A 27 14.803 21.143 -1.559 1.00 2.30 H new ATOM 0 HG3 LYS A 27 16.471 21.118 -1.022 1.00 2.30 H new ATOM 0 HD2 LYS A 27 16.994 22.879 -2.763 1.00 71.12 H new ATOM 0 HD3 LYS A 27 15.283 22.962 -3.133 1.00 71.12 H new ATOM 0 HE2 LYS A 27 16.006 23.216 -0.246 1.00 63.45 H new ATOM 0 HE3 LYS A 27 16.513 24.538 -1.279 1.00 63.45 H new ATOM 0 HZ1 LYS A 27 14.318 24.930 -0.367 1.00 41.14 H new ATOM 0 HZ2 LYS A 27 14.225 24.772 -2.056 1.00 41.14 H new ATOM 0 HZ3 LYS A 27 13.734 23.492 -1.054 1.00 41.14 H new ATOM 430 N LYS A 28 16.978 17.092 -3.437 1.00 21.33 N ATOM 431 CA LYS A 28 17.057 15.995 -4.394 1.00 65.10 C ATOM 432 C LYS A 28 15.671 15.626 -4.914 1.00 72.03 C ATOM 433 O LYS A 28 14.667 15.830 -4.232 1.00 1.44 O ATOM 434 CB LYS A 28 17.714 14.774 -3.748 1.00 41.55 C ATOM 435 CG LYS A 28 18.977 15.102 -2.973 1.00 14.42 C ATOM 436 CD LYS A 28 19.651 13.845 -2.447 1.00 31.03 C ATOM 437 CE LYS A 28 18.766 13.114 -1.449 1.00 23.13 C ATOM 438 NZ LYS A 28 19.518 12.068 -0.702 1.00 50.21 N ATOM 0 H LYS A 28 16.534 16.847 -2.552 1.00 21.33 H new ATOM 0 HA LYS A 28 17.666 16.323 -5.236 1.00 65.10 H new ATOM 0 HB2 LYS A 28 16.998 14.300 -3.076 1.00 41.55 H new ATOM 0 HB3 LYS A 28 17.953 14.047 -4.524 1.00 41.55 H new ATOM 0 HG2 LYS A 28 19.669 15.645 -3.617 1.00 14.42 H new ATOM 0 HG3 LYS A 28 18.733 15.761 -2.140 1.00 14.42 H new ATOM 0 HD2 LYS A 28 19.887 13.182 -3.279 1.00 31.03 H new ATOM 0 HD3 LYS A 28 20.596 14.109 -1.972 1.00 31.03 H new ATOM 0 HE2 LYS A 28 18.344 13.831 -0.744 1.00 23.13 H new ATOM 0 HE3 LYS A 28 17.929 12.654 -1.975 1.00 23.13 H new ATOM 0 HZ1 LYS A 28 18.992 11.171 -0.737 1.00 50.21 H new ATOM 0 HZ2 LYS A 28 20.454 11.937 -1.135 1.00 50.21 H new ATOM 0 HZ3 LYS A 28 19.633 12.364 0.288 1.00 50.21 H new ATOM 452 N TYR A 29 15.625 15.081 -6.124 1.00 41.53 N ATOM 453 CA TYR A 29 14.362 14.682 -6.735 1.00 25.42 C ATOM 454 C TYR A 29 13.620 13.683 -5.852 1.00 55.31 C ATOM 455 O TYR A 29 14.237 12.903 -5.126 1.00 40.11 O ATOM 456 CB TYR A 29 14.608 14.076 -8.117 1.00 13.01 C ATOM 457 CG TYR A 29 14.751 15.106 -9.215 1.00 34.14 C ATOM 458 CD1 TYR A 29 13.632 15.664 -9.820 1.00 11.42 C ATOM 459 CD2 TYR A 29 16.005 15.520 -9.646 1.00 23.53 C ATOM 460 CE1 TYR A 29 13.759 16.605 -10.823 1.00 43.03 C ATOM 461 CE2 TYR A 29 16.140 16.462 -10.648 1.00 12.24 C ATOM 462 CZ TYR A 29 15.014 17.001 -11.233 1.00 53.22 C ATOM 463 OH TYR A 29 15.145 17.938 -12.233 1.00 42.21 O ATOM 0 H TYR A 29 16.447 14.905 -6.702 1.00 41.53 H new ATOM 0 HA TYR A 29 13.743 15.573 -6.842 1.00 25.42 H new ATOM 0 HB2 TYR A 29 15.512 13.468 -8.082 1.00 13.01 H new ATOM 0 HB3 TYR A 29 13.783 13.407 -8.363 1.00 13.01 H new ATOM 0 HD1 TYR A 29 12.647 15.357 -9.501 1.00 11.42 H new ATOM 0 HD2 TYR A 29 16.889 15.099 -9.190 1.00 23.53 H new ATOM 0 HE1 TYR A 29 12.879 17.029 -11.284 1.00 43.03 H new ATOM 0 HE2 TYR A 29 17.122 16.774 -10.971 1.00 12.24 H new ATOM 0 HH TYR A 29 15.926 18.502 -12.053 1.00 42.21 H new ATOM 473 N ARG A 30 12.293 13.712 -5.921 1.00 72.52 N ATOM 474 CA ARG A 30 11.467 12.810 -5.130 1.00 32.24 C ATOM 475 C ARG A 30 10.275 12.310 -5.941 1.00 61.44 C ATOM 476 O ARG A 30 9.916 12.899 -6.963 1.00 12.43 O ATOM 477 CB ARG A 30 10.976 13.513 -3.863 1.00 50.13 C ATOM 478 CG ARG A 30 11.248 12.732 -2.588 1.00 50.40 C ATOM 479 CD ARG A 30 11.710 13.644 -1.463 1.00 61.41 C ATOM 480 NE ARG A 30 11.659 12.979 -0.163 1.00 64.30 N ATOM 481 CZ ARG A 30 12.602 12.155 0.279 1.00 71.04 C ATOM 482 NH1 ARG A 30 13.663 11.894 -0.472 1.00 75.04 N ATOM 483 NH2 ARG A 30 12.484 11.589 1.472 1.00 15.41 N ATOM 0 H ARG A 30 11.767 14.351 -6.517 1.00 72.52 H new ATOM 0 HA ARG A 30 12.078 11.952 -4.849 1.00 32.24 H new ATOM 0 HB2 ARG A 30 11.456 14.489 -3.790 1.00 50.13 H new ATOM 0 HB3 ARG A 30 9.904 13.690 -3.949 1.00 50.13 H new ATOM 0 HG2 ARG A 30 10.344 12.206 -2.283 1.00 50.40 H new ATOM 0 HG3 ARG A 30 12.008 11.975 -2.779 1.00 50.40 H new ATOM 0 HD2 ARG A 30 12.729 13.976 -1.661 1.00 61.41 H new ATOM 0 HD3 ARG A 30 11.084 14.536 -1.439 1.00 61.41 H new ATOM 0 HE ARG A 30 10.855 13.158 0.438 1.00 64.30 H new ATOM 0 HH11 ARG A 30 13.756 12.326 -1.391 1.00 75.04 H new ATOM 0 HH12 ARG A 30 14.386 11.261 -0.131 1.00 75.04 H new ATOM 0 HH21 ARG A 30 11.668 11.786 2.052 1.00 15.41 H new ATOM 0 HH22 ARG A 30 13.209 10.956 1.810 1.00 15.41 H new ATOM 497 N LEU A 31 9.666 11.223 -5.482 1.00 34.33 N ATOM 498 CA LEU A 31 8.516 10.644 -6.165 1.00 45.40 C ATOM 499 C LEU A 31 7.501 11.722 -6.532 1.00 12.51 C ATOM 500 O LEU A 31 6.874 11.666 -7.590 1.00 55.44 O ATOM 501 CB LEU A 31 7.854 9.584 -5.282 1.00 12.41 C ATOM 502 CG LEU A 31 8.751 8.430 -4.832 1.00 1.11 C ATOM 503 CD1 LEU A 31 8.355 7.958 -3.442 1.00 1.23 C ATOM 504 CD2 LEU A 31 8.683 7.281 -5.827 1.00 2.23 C ATOM 0 H LEU A 31 9.950 10.724 -4.639 1.00 34.33 H new ATOM 0 HA LEU A 31 8.869 10.175 -7.084 1.00 45.40 H new ATOM 0 HB2 LEU A 31 7.456 10.076 -4.394 1.00 12.41 H new ATOM 0 HB3 LEU A 31 7.004 9.168 -5.823 1.00 12.41 H new ATOM 0 HG LEU A 31 9.780 8.789 -4.793 1.00 1.11 H new ATOM 0 HD11 LEU A 31 9.004 7.137 -3.138 1.00 1.23 H new ATOM 0 HD12 LEU A 31 8.457 8.782 -2.735 1.00 1.23 H new ATOM 0 HD13 LEU A 31 7.320 7.617 -3.455 1.00 1.23 H new ATOM 0 HD21 LEU A 31 9.328 6.469 -5.490 1.00 2.23 H new ATOM 0 HD22 LEU A 31 7.656 6.923 -5.899 1.00 2.23 H new ATOM 0 HD23 LEU A 31 9.016 7.627 -6.805 1.00 2.23 H new ATOM 516 N LYS A 32 7.344 12.704 -5.651 1.00 31.40 N ATOM 517 CA LYS A 32 6.408 13.798 -5.882 1.00 74.22 C ATOM 518 C LYS A 32 6.636 14.428 -7.252 1.00 51.15 C ATOM 519 O LYS A 32 5.686 14.695 -7.989 1.00 50.31 O ATOM 520 CB LYS A 32 6.555 14.860 -4.791 1.00 4.05 C ATOM 521 CG LYS A 32 5.646 14.633 -3.594 1.00 52.44 C ATOM 522 CD LYS A 32 4.222 15.079 -3.883 1.00 11.23 C ATOM 523 CE LYS A 32 3.582 15.721 -2.662 1.00 22.12 C ATOM 524 NZ LYS A 32 3.245 17.151 -2.900 1.00 71.53 N ATOM 0 H LYS A 32 7.853 12.765 -4.769 1.00 31.40 H new ATOM 0 HA LYS A 32 5.397 13.391 -5.852 1.00 74.22 H new ATOM 0 HB2 LYS A 32 7.591 14.879 -4.452 1.00 4.05 H new ATOM 0 HB3 LYS A 32 6.341 15.840 -5.218 1.00 4.05 H new ATOM 0 HG2 LYS A 32 5.650 13.576 -3.328 1.00 52.44 H new ATOM 0 HG3 LYS A 32 6.032 15.180 -2.734 1.00 52.44 H new ATOM 0 HD2 LYS A 32 4.222 15.788 -4.711 1.00 11.23 H new ATOM 0 HD3 LYS A 32 3.628 14.221 -4.198 1.00 11.23 H new ATOM 0 HE2 LYS A 32 2.677 15.174 -2.396 1.00 22.12 H new ATOM 0 HE3 LYS A 32 4.262 15.644 -1.813 1.00 22.12 H new ATOM 0 HZ1 LYS A 32 2.811 17.552 -2.044 1.00 71.53 H new ATOM 0 HZ2 LYS A 32 4.112 17.678 -3.129 1.00 71.53 H new ATOM 0 HZ3 LYS A 32 2.577 17.223 -3.694 1.00 71.53 H new ATOM 538 N HIS A 33 7.901 14.661 -7.590 1.00 45.43 N ATOM 539 CA HIS A 33 8.253 15.256 -8.874 1.00 25.44 C ATOM 540 C HIS A 33 7.903 14.316 -10.024 1.00 13.35 C ATOM 541 O HIS A 33 7.649 14.826 -11.115 1.00 35.34 O ATOM 542 CB HIS A 33 9.744 15.594 -8.912 1.00 51.05 C ATOM 543 CG HIS A 33 10.171 16.543 -7.835 1.00 12.25 C ATOM 544 ND1 HIS A 33 11.037 16.190 -6.821 1.00 55.02 N ATOM 545 CD2 HIS A 33 9.847 17.838 -7.615 1.00 75.24 C ATOM 546 CE1 HIS A 33 11.226 17.228 -6.026 1.00 13.15 C ATOM 547 NE2 HIS A 33 10.516 18.241 -6.486 1.00 72.04 N ATOM 0 H HIS A 33 8.699 14.447 -6.992 1.00 45.43 H new ATOM 0 HA HIS A 33 7.677 16.174 -8.991 1.00 25.44 H new ATOM 0 HB2 HIS A 33 10.319 14.673 -8.822 1.00 51.05 H new ATOM 0 HB3 HIS A 33 9.985 16.027 -9.883 1.00 51.05 H new ATOM 0 HD2 HIS A 33 9.185 18.443 -8.216 1.00 75.24 H new ATOM 0 HE1 HIS A 33 11.855 17.245 -5.148 1.00 13.15 H new ATOM 0 HE2 HIS A 33 10.472 19.171 -6.070 1.00 72.04 H new ATOM 555 N ILE A 34 7.882 13.003 -9.815 1.00 71.13 N ATOM 556 CA ILE A 34 7.553 12.067 -10.883 1.00 21.24 C ATOM 557 C ILE A 34 6.061 12.093 -11.196 1.00 24.13 C ATOM 558 O ILE A 34 5.656 12.006 -12.355 1.00 13.52 O ATOM 559 CB ILE A 34 7.964 10.628 -10.516 1.00 25.33 C ATOM 560 CG1 ILE A 34 9.449 10.577 -10.150 1.00 41.44 C ATOM 561 CG2 ILE A 34 7.663 9.682 -11.668 1.00 53.44 C ATOM 562 CD1 ILE A 34 9.935 9.190 -9.791 1.00 5.24 C ATOM 0 H ILE A 34 8.089 12.565 -8.917 1.00 71.13 H new ATOM 0 HA ILE A 34 8.112 12.383 -11.764 1.00 21.24 H new ATOM 0 HB ILE A 34 7.385 10.309 -9.649 1.00 25.33 H new ATOM 0 HG12 ILE A 34 10.035 10.953 -10.989 1.00 41.44 H new ATOM 0 HG13 ILE A 34 9.631 11.246 -9.309 1.00 41.44 H new ATOM 0 HG21 ILE A 34 7.959 8.669 -11.394 1.00 53.44 H new ATOM 0 HG22 ILE A 34 6.595 9.702 -11.886 1.00 53.44 H new ATOM 0 HG23 ILE A 34 8.219 9.996 -12.551 1.00 53.44 H new ATOM 0 HD11 ILE A 34 10.996 9.229 -9.543 1.00 5.24 H new ATOM 0 HD12 ILE A 34 9.375 8.819 -8.933 1.00 5.24 H new ATOM 0 HD13 ILE A 34 9.785 8.521 -10.639 1.00 5.24 H new ATOM 574 N VAL A 35 5.245 12.215 -10.153 1.00 63.22 N ATOM 575 CA VAL A 35 3.797 12.257 -10.316 1.00 44.42 C ATOM 576 C VAL A 35 3.376 13.425 -11.201 1.00 51.11 C ATOM 577 O VAL A 35 2.675 13.241 -12.195 1.00 43.34 O ATOM 578 CB VAL A 35 3.081 12.373 -8.957 1.00 14.13 C ATOM 579 CG1 VAL A 35 1.576 12.459 -9.151 1.00 50.10 C ATOM 580 CG2 VAL A 35 3.446 11.199 -8.061 1.00 20.23 C ATOM 0 H VAL A 35 5.563 12.286 -9.186 1.00 63.22 H new ATOM 0 HA VAL A 35 3.506 11.321 -10.793 1.00 44.42 H new ATOM 0 HB VAL A 35 3.412 13.290 -8.469 1.00 14.13 H new ATOM 0 HG11 VAL A 35 1.088 12.540 -8.180 1.00 50.10 H new ATOM 0 HG12 VAL A 35 1.336 13.336 -9.752 1.00 50.10 H new ATOM 0 HG13 VAL A 35 1.223 11.562 -9.660 1.00 50.10 H new ATOM 0 HG21 VAL A 35 2.931 11.297 -7.105 1.00 20.23 H new ATOM 0 HG22 VAL A 35 3.145 10.268 -8.541 1.00 20.23 H new ATOM 0 HG23 VAL A 35 4.523 11.190 -7.894 1.00 20.23 H new ATOM 590 N TRP A 36 3.809 14.624 -10.832 1.00 65.12 N ATOM 591 CA TRP A 36 3.477 15.823 -11.593 1.00 32.41 C ATOM 592 C TRP A 36 3.776 15.628 -13.075 1.00 55.30 C ATOM 593 O TRP A 36 3.005 16.053 -13.935 1.00 11.02 O ATOM 594 CB TRP A 36 4.258 17.025 -11.058 1.00 51.10 C ATOM 595 CG TRP A 36 3.859 18.323 -11.691 1.00 55.13 C ATOM 596 CD1 TRP A 36 2.787 19.101 -11.360 1.00 63.52 C ATOM 597 CD2 TRP A 36 4.528 18.993 -12.766 1.00 65.24 C ATOM 598 NE1 TRP A 36 2.748 20.215 -12.165 1.00 40.10 N ATOM 599 CE2 TRP A 36 3.805 20.172 -13.035 1.00 73.33 C ATOM 600 CE3 TRP A 36 5.666 18.712 -13.526 1.00 63.33 C ATOM 601 CZ2 TRP A 36 4.185 21.066 -14.031 1.00 70.32 C ATOM 602 CZ3 TRP A 36 6.042 19.601 -14.515 1.00 72.52 C ATOM 603 CH2 TRP A 36 5.304 20.767 -14.760 1.00 74.54 C ATOM 0 H TRP A 36 4.390 14.793 -10.011 1.00 65.12 H new ATOM 0 HA TRP A 36 2.410 16.011 -11.478 1.00 32.41 H new ATOM 0 HB2 TRP A 36 4.110 17.094 -9.980 1.00 51.10 H new ATOM 0 HB3 TRP A 36 5.323 16.860 -11.224 1.00 51.10 H new ATOM 0 HD1 TRP A 36 2.074 18.875 -10.581 1.00 63.52 H new ATOM 0 HE1 TRP A 36 2.046 20.954 -12.121 1.00 40.10 H new ATOM 0 HE3 TRP A 36 6.241 17.816 -13.344 1.00 63.33 H new ATOM 0 HZ2 TRP A 36 3.617 21.964 -14.222 1.00 70.32 H new ATOM 0 HZ3 TRP A 36 6.920 19.394 -15.109 1.00 72.52 H new ATOM 0 HH2 TRP A 36 5.625 21.443 -15.539 1.00 74.54 H new ATOM 614 N ALA A 37 4.899 14.980 -13.367 1.00 51.03 N ATOM 615 CA ALA A 37 5.297 14.726 -14.747 1.00 34.04 C ATOM 616 C ALA A 37 4.252 13.890 -15.475 1.00 43.54 C ATOM 617 O ALA A 37 3.690 14.320 -16.482 1.00 62.45 O ATOM 618 CB ALA A 37 6.651 14.032 -14.785 1.00 63.13 C ATOM 0 H ALA A 37 5.549 14.622 -12.667 1.00 51.03 H new ATOM 0 HA ALA A 37 5.377 15.685 -15.259 1.00 34.04 H new ATOM 0 HB1 ALA A 37 6.937 13.848 -15.821 1.00 63.13 H new ATOM 0 HB2 ALA A 37 7.399 14.667 -14.310 1.00 63.13 H new ATOM 0 HB3 ALA A 37 6.589 13.083 -14.252 1.00 63.13 H new ATOM 624 N ALA A 38 3.995 12.692 -14.960 1.00 43.40 N ATOM 625 CA ALA A 38 3.014 11.796 -15.561 1.00 21.15 C ATOM 626 C ALA A 38 1.627 12.429 -15.575 1.00 30.15 C ATOM 627 O ALA A 38 0.833 12.188 -16.483 1.00 0.44 O ATOM 628 CB ALA A 38 2.984 10.471 -14.814 1.00 51.33 C ATOM 0 H ALA A 38 4.452 12.319 -14.128 1.00 43.40 H new ATOM 0 HA ALA A 38 3.311 11.613 -16.594 1.00 21.15 H new ATOM 0 HB1 ALA A 38 2.248 9.811 -15.273 1.00 51.33 H new ATOM 0 HB2 ALA A 38 3.968 10.005 -14.861 1.00 51.33 H new ATOM 0 HB3 ALA A 38 2.715 10.647 -13.772 1.00 51.33 H new ATOM 634 N ASN A 39 1.343 13.241 -14.561 1.00 5.52 N ATOM 635 CA ASN A 39 0.049 13.909 -14.456 1.00 54.14 C ATOM 636 C ASN A 39 -0.114 14.954 -15.556 1.00 51.02 C ATOM 637 O ASN A 39 -1.027 14.870 -16.378 1.00 2.52 O ATOM 638 CB ASN A 39 -0.097 14.568 -13.084 1.00 43.11 C ATOM 639 CG ASN A 39 -1.520 14.504 -12.561 1.00 61.13 C ATOM 640 OD1 ASN A 39 -2.202 13.489 -12.709 1.00 23.33 O ATOM 641 ND2 ASN A 39 -1.974 15.590 -11.946 1.00 61.13 N ATOM 0 H ASN A 39 1.990 13.452 -13.801 1.00 5.52 H new ATOM 0 HA ASN A 39 -0.732 13.158 -14.575 1.00 54.14 H new ATOM 0 HB2 ASN A 39 0.570 14.077 -12.375 1.00 43.11 H new ATOM 0 HB3 ASN A 39 0.217 15.610 -13.149 1.00 43.11 H new ATOM 0 HD21 ASN A 39 -2.923 15.606 -11.573 1.00 61.13 H new ATOM 0 HD22 ASN A 39 -1.373 16.408 -11.846 1.00 61.13 H new ATOM 648 N LYS A 40 0.779 15.938 -15.566 1.00 61.11 N ATOM 649 CA LYS A 40 0.737 16.999 -16.565 1.00 1.20 C ATOM 650 C LYS A 40 0.620 16.419 -17.971 1.00 22.44 C ATOM 651 O LYS A 40 0.022 17.030 -18.858 1.00 61.20 O ATOM 652 CB LYS A 40 1.989 17.872 -16.464 1.00 34.42 C ATOM 653 CG LYS A 40 1.689 19.353 -16.318 1.00 65.23 C ATOM 654 CD LYS A 40 1.134 19.678 -14.941 1.00 42.32 C ATOM 655 CE LYS A 40 -0.329 20.088 -15.012 1.00 34.12 C ATOM 656 NZ LYS A 40 -0.485 21.558 -15.184 1.00 61.41 N ATOM 0 H LYS A 40 1.541 16.023 -14.893 1.00 61.11 H new ATOM 0 HA LYS A 40 -0.143 17.612 -16.370 1.00 1.20 H new ATOM 0 HB2 LYS A 40 2.582 17.544 -15.610 1.00 34.42 H new ATOM 0 HB3 LYS A 40 2.600 17.720 -17.354 1.00 34.42 H new ATOM 0 HG2 LYS A 40 2.599 19.928 -16.489 1.00 65.23 H new ATOM 0 HG3 LYS A 40 0.972 19.657 -17.081 1.00 65.23 H new ATOM 0 HD2 LYS A 40 1.238 18.809 -14.291 1.00 42.32 H new ATOM 0 HD3 LYS A 40 1.717 20.483 -14.493 1.00 42.32 H new ATOM 0 HE2 LYS A 40 -0.811 19.572 -15.842 1.00 34.12 H new ATOM 0 HE3 LYS A 40 -0.839 19.773 -14.102 1.00 34.12 H new ATOM 0 HZ1 LYS A 40 -1.496 21.797 -15.228 1.00 61.41 H new ATOM 0 HZ2 LYS A 40 -0.048 22.050 -14.379 1.00 61.41 H new ATOM 0 HZ3 LYS A 40 -0.020 21.856 -16.066 1.00 61.41 H new ATOM 670 N LEU A 41 1.193 15.237 -18.168 1.00 31.25 N ATOM 671 CA LEU A 41 1.152 14.573 -19.466 1.00 44.11 C ATOM 672 C LEU A 41 -0.285 14.264 -19.874 1.00 1.21 C ATOM 673 O LEU A 41 -0.802 14.829 -20.838 1.00 2.12 O ATOM 674 CB LEU A 41 1.972 13.282 -19.427 1.00 42.20 C ATOM 675 CG LEU A 41 3.492 13.451 -19.456 1.00 4.52 C ATOM 676 CD1 LEU A 41 4.179 12.174 -18.998 1.00 42.34 C ATOM 677 CD2 LEU A 41 3.958 13.840 -20.851 1.00 52.13 C ATOM 0 H LEU A 41 1.692 14.718 -17.445 1.00 31.25 H new ATOM 0 HA LEU A 41 1.583 15.248 -20.205 1.00 44.11 H new ATOM 0 HB2 LEU A 41 1.705 12.733 -18.524 1.00 42.20 H new ATOM 0 HB3 LEU A 41 1.679 12.663 -20.275 1.00 42.20 H new ATOM 0 HG LEU A 41 3.764 14.252 -18.768 1.00 4.52 H new ATOM 0 HD11 LEU A 41 5.260 12.312 -19.025 1.00 42.34 H new ATOM 0 HD12 LEU A 41 3.869 11.939 -17.980 1.00 42.34 H new ATOM 0 HD13 LEU A 41 3.902 11.354 -19.660 1.00 42.34 H new ATOM 0 HD21 LEU A 41 5.042 13.956 -20.853 1.00 52.13 H new ATOM 0 HD22 LEU A 41 3.675 13.062 -21.559 1.00 52.13 H new ATOM 0 HD23 LEU A 41 3.492 14.782 -21.141 1.00 52.13 H new ATOM 689 N ASP A 42 -0.924 13.366 -19.134 1.00 4.12 N ATOM 690 CA ASP A 42 -2.304 12.984 -19.416 1.00 71.33 C ATOM 691 C ASP A 42 -3.175 14.217 -19.633 1.00 44.11 C ATOM 692 O ASP A 42 -4.019 14.244 -20.530 1.00 13.13 O ATOM 693 CB ASP A 42 -2.867 12.141 -18.271 1.00 12.11 C ATOM 694 CG ASP A 42 -2.882 10.660 -18.596 1.00 5.00 C ATOM 695 OD1 ASP A 42 -3.356 10.299 -19.693 1.00 10.11 O ATOM 696 OD2 ASP A 42 -2.421 9.862 -17.752 1.00 64.32 O ATOM 0 H ASP A 42 -0.509 12.888 -18.334 1.00 4.12 H new ATOM 0 HA ASP A 42 -2.311 12.391 -20.330 1.00 71.33 H new ATOM 0 HB2 ASP A 42 -2.271 12.307 -17.374 1.00 12.11 H new ATOM 0 HB3 ASP A 42 -3.881 12.471 -18.045 1.00 12.11 H new ATOM 701 N ARG A 43 -2.967 15.236 -18.806 1.00 14.10 N ATOM 702 CA ARG A 43 -3.735 16.472 -18.906 1.00 13.14 C ATOM 703 C ARG A 43 -3.454 17.181 -20.227 1.00 53.23 C ATOM 704 O ARG A 43 -4.346 17.339 -21.061 1.00 54.43 O ATOM 705 CB ARG A 43 -3.404 17.399 -17.736 1.00 32.52 C ATOM 706 CG ARG A 43 -4.017 16.960 -16.416 1.00 53.33 C ATOM 707 CD ARG A 43 -5.169 17.864 -16.010 1.00 4.02 C ATOM 708 NE ARG A 43 -4.740 18.924 -15.102 1.00 1.02 N ATOM 709 CZ ARG A 43 -5.565 19.825 -14.580 1.00 14.23 C ATOM 710 NH1 ARG A 43 -6.857 19.793 -14.874 1.00 62.24 N ATOM 711 NH2 ARG A 43 -5.098 20.758 -13.760 1.00 53.14 N ATOM 0 H ARG A 43 -2.273 15.230 -18.059 1.00 14.10 H new ATOM 0 HA ARG A 43 -4.794 16.217 -18.869 1.00 13.14 H new ATOM 0 HB2 ARG A 43 -2.321 17.454 -17.623 1.00 32.52 H new ATOM 0 HB3 ARG A 43 -3.752 18.405 -17.971 1.00 32.52 H new ATOM 0 HG2 ARG A 43 -4.372 15.933 -16.502 1.00 53.33 H new ATOM 0 HG3 ARG A 43 -3.254 16.970 -15.638 1.00 53.33 H new ATOM 0 HD2 ARG A 43 -5.613 18.308 -16.901 1.00 4.02 H new ATOM 0 HD3 ARG A 43 -5.945 17.268 -15.530 1.00 4.02 H new ATOM 0 HE ARG A 43 -3.752 18.976 -14.855 1.00 1.02 H new ATOM 0 HH11 ARG A 43 -7.219 19.076 -15.502 1.00 62.24 H new ATOM 0 HH12 ARG A 43 -7.489 20.486 -14.472 1.00 62.24 H new ATOM 0 HH21 ARG A 43 -4.105 20.784 -13.530 1.00 53.14 H new ATOM 0 HH22 ARG A 43 -5.732 21.449 -13.360 1.00 53.14 H new ATOM 725 N PHE A 44 -2.209 17.608 -20.410 1.00 55.33 N ATOM 726 CA PHE A 44 -1.811 18.302 -21.630 1.00 34.11 C ATOM 727 C PHE A 44 -2.295 17.551 -22.867 1.00 13.43 C ATOM 728 O PHE A 44 -2.835 18.148 -23.796 1.00 62.24 O ATOM 729 CB PHE A 44 -0.290 18.459 -21.678 1.00 33.23 C ATOM 730 CG PHE A 44 0.214 19.656 -20.924 1.00 35.14 C ATOM 731 CD1 PHE A 44 -0.349 20.907 -21.127 1.00 10.52 C ATOM 732 CD2 PHE A 44 1.249 19.533 -20.012 1.00 14.45 C ATOM 733 CE1 PHE A 44 0.113 22.009 -20.434 1.00 30.33 C ATOM 734 CE2 PHE A 44 1.715 20.632 -19.316 1.00 15.00 C ATOM 735 CZ PHE A 44 1.145 21.872 -19.527 1.00 71.23 C ATOM 0 H PHE A 44 -1.459 17.486 -19.730 1.00 55.33 H new ATOM 0 HA PHE A 44 -2.272 19.290 -21.623 1.00 34.11 H new ATOM 0 HB2 PHE A 44 0.173 17.561 -21.269 1.00 33.23 H new ATOM 0 HB3 PHE A 44 0.027 18.535 -22.718 1.00 33.23 H new ATOM 0 HD1 PHE A 44 -1.157 21.021 -21.834 1.00 10.52 H new ATOM 0 HD2 PHE A 44 1.698 18.565 -19.843 1.00 14.45 H new ATOM 0 HE1 PHE A 44 -0.333 22.978 -20.602 1.00 30.33 H new ATOM 0 HE2 PHE A 44 2.523 20.521 -18.608 1.00 15.00 H new ATOM 0 HZ PHE A 44 1.506 22.733 -18.984 1.00 71.23 H new ATOM 745 N GLY A 45 -2.097 16.236 -22.869 1.00 23.31 N ATOM 746 CA GLY A 45 -2.518 15.424 -23.995 1.00 72.52 C ATOM 747 C GLY A 45 -1.649 14.197 -24.183 1.00 72.04 C ATOM 748 O GLY A 45 -2.041 13.247 -24.862 1.00 20.12 O ATOM 0 H GLY A 45 -1.652 15.719 -22.110 1.00 23.31 H new ATOM 0 HA2 GLY A 45 -3.552 15.113 -23.848 1.00 72.52 H new ATOM 0 HA3 GLY A 45 -2.492 16.026 -24.903 1.00 72.52 H new ATOM 752 N LEU A 46 -0.464 14.216 -23.584 1.00 21.11 N ATOM 753 CA LEU A 46 0.465 13.096 -23.689 1.00 71.20 C ATOM 754 C LEU A 46 0.097 11.989 -22.708 1.00 12.23 C ATOM 755 O LEU A 46 -0.542 12.239 -21.685 1.00 52.25 O ATOM 756 CB LEU A 46 1.897 13.570 -23.428 1.00 50.54 C ATOM 757 CG LEU A 46 2.704 13.978 -24.661 1.00 74.41 C ATOM 758 CD1 LEU A 46 3.603 15.162 -24.342 1.00 74.22 C ATOM 759 CD2 LEU A 46 3.526 12.804 -25.172 1.00 52.33 C ATOM 0 H LEU A 46 -0.123 14.995 -23.020 1.00 21.11 H new ATOM 0 HA LEU A 46 0.400 12.695 -24.701 1.00 71.20 H new ATOM 0 HB2 LEU A 46 1.859 14.420 -22.746 1.00 50.54 H new ATOM 0 HB3 LEU A 46 2.434 12.773 -22.914 1.00 50.54 H new ATOM 0 HG LEU A 46 2.008 14.277 -25.445 1.00 74.41 H new ATOM 0 HD11 LEU A 46 4.170 15.438 -25.231 1.00 74.22 H new ATOM 0 HD12 LEU A 46 2.993 16.007 -24.023 1.00 74.22 H new ATOM 0 HD13 LEU A 46 4.292 14.891 -23.542 1.00 74.22 H new ATOM 0 HD21 LEU A 46 4.094 13.112 -26.050 1.00 52.33 H new ATOM 0 HD22 LEU A 46 4.213 12.474 -24.393 1.00 52.33 H new ATOM 0 HD23 LEU A 46 2.861 11.983 -25.440 1.00 52.33 H new ATOM 771 N ALA A 47 0.506 10.764 -23.024 1.00 32.41 N ATOM 772 CA ALA A 47 0.224 9.619 -22.168 1.00 70.31 C ATOM 773 C ALA A 47 1.438 9.254 -21.321 1.00 51.41 C ATOM 774 O ALA A 47 2.511 9.836 -21.474 1.00 51.53 O ATOM 775 CB ALA A 47 -0.215 8.429 -23.007 1.00 14.30 C ATOM 0 H ALA A 47 1.034 10.540 -23.867 1.00 32.41 H new ATOM 0 HA ALA A 47 -0.587 9.892 -21.493 1.00 70.31 H new ATOM 0 HB1 ALA A 47 -0.422 7.581 -22.355 1.00 14.30 H new ATOM 0 HB2 ALA A 47 -1.116 8.688 -23.563 1.00 14.30 H new ATOM 0 HB3 ALA A 47 0.578 8.164 -23.706 1.00 14.30 H new ATOM 826 N LEU A 51 7.206 7.014 -20.206 1.00 72.44 N ATOM 827 CA LEU A 51 7.858 7.107 -18.905 1.00 54.11 C ATOM 828 C LEU A 51 8.473 5.769 -18.508 1.00 35.13 C ATOM 829 O LEU A 51 9.514 5.723 -17.853 1.00 23.13 O ATOM 830 CB LEU A 51 6.856 7.556 -17.841 1.00 21.41 C ATOM 831 CG LEU A 51 6.433 9.026 -17.895 1.00 52.31 C ATOM 832 CD1 LEU A 51 5.226 9.267 -17.004 1.00 2.50 C ATOM 833 CD2 LEU A 51 7.588 9.928 -17.487 1.00 73.22 C ATOM 0 HA LEU A 51 8.656 7.846 -18.978 1.00 54.11 H new ATOM 0 HB2 LEU A 51 5.962 6.938 -17.928 1.00 21.41 H new ATOM 0 HB3 LEU A 51 7.286 7.358 -16.859 1.00 21.41 H new ATOM 0 HG LEU A 51 6.155 9.267 -18.921 1.00 52.31 H new ATOM 0 HD11 LEU A 51 4.940 10.318 -17.055 1.00 2.50 H new ATOM 0 HD12 LEU A 51 4.395 8.648 -17.342 1.00 2.50 H new ATOM 0 HD13 LEU A 51 5.476 9.009 -15.975 1.00 2.50 H new ATOM 0 HD21 LEU A 51 7.269 10.969 -17.531 1.00 73.22 H new ATOM 0 HD22 LEU A 51 7.897 9.686 -16.470 1.00 73.22 H new ATOM 0 HD23 LEU A 51 8.426 9.776 -18.167 1.00 73.22 H new ATOM 845 N GLU A 52 7.822 4.682 -18.909 1.00 13.44 N ATOM 846 CA GLU A 52 8.306 3.342 -18.595 1.00 64.55 C ATOM 847 C GLU A 52 9.508 2.981 -19.462 1.00 60.33 C ATOM 848 O GLU A 52 10.564 2.603 -18.953 1.00 61.33 O ATOM 849 CB GLU A 52 7.191 2.313 -18.795 1.00 72.03 C ATOM 850 CG GLU A 52 5.819 2.812 -18.376 1.00 1.04 C ATOM 851 CD GLU A 52 4.840 1.683 -18.123 1.00 10.21 C ATOM 852 OE1 GLU A 52 4.982 0.994 -17.090 1.00 21.11 O ATOM 853 OE2 GLU A 52 3.932 1.487 -18.957 1.00 2.33 O ATOM 0 H GLU A 52 6.959 4.702 -19.452 1.00 13.44 H new ATOM 0 HA GLU A 52 8.617 3.331 -17.550 1.00 64.55 H new ATOM 0 HB2 GLU A 52 7.158 2.025 -19.846 1.00 72.03 H new ATOM 0 HB3 GLU A 52 7.431 1.415 -18.226 1.00 72.03 H new ATOM 0 HG2 GLU A 52 5.916 3.413 -17.472 1.00 1.04 H new ATOM 0 HG3 GLU A 52 5.421 3.465 -19.153 1.00 1.04 H new ATOM 860 N SER A 53 9.341 3.100 -20.776 1.00 1.31 N ATOM 861 CA SER A 53 10.409 2.782 -21.715 1.00 74.13 C ATOM 862 C SER A 53 11.234 4.024 -22.039 1.00 55.10 C ATOM 863 O SER A 53 10.689 5.098 -22.292 1.00 3.12 O ATOM 864 CB SER A 53 9.829 2.191 -23.002 1.00 23.34 C ATOM 865 OG SER A 53 9.876 3.132 -24.061 1.00 32.13 O ATOM 0 H SER A 53 8.475 3.415 -21.214 1.00 1.31 H new ATOM 0 HA SER A 53 11.061 2.044 -21.248 1.00 74.13 H new ATOM 0 HB2 SER A 53 10.388 1.298 -23.280 1.00 23.34 H new ATOM 0 HB3 SER A 53 8.798 1.882 -22.832 1.00 23.34 H new ATOM 0 HG SER A 53 9.055 3.667 -24.060 1.00 32.13 H new ATOM 871 N LYS A 54 12.554 3.868 -22.031 1.00 31.04 N ATOM 872 CA LYS A 54 13.457 4.974 -22.324 1.00 71.23 C ATOM 873 C LYS A 54 13.191 5.539 -23.716 1.00 75.14 C ATOM 874 O LYS A 54 13.326 6.740 -23.945 1.00 43.22 O ATOM 875 CB LYS A 54 14.913 4.514 -22.219 1.00 1.52 C ATOM 876 CG LYS A 54 15.339 3.582 -23.340 1.00 14.35 C ATOM 877 CD LYS A 54 16.758 3.077 -23.136 1.00 31.10 C ATOM 878 CE LYS A 54 16.778 1.761 -22.375 1.00 4.14 C ATOM 879 NZ LYS A 54 16.367 0.616 -23.233 1.00 74.20 N ATOM 0 H LYS A 54 13.022 2.985 -21.825 1.00 31.04 H new ATOM 0 HA LYS A 54 13.277 5.760 -21.591 1.00 71.23 H new ATOM 0 HB2 LYS A 54 15.563 5.389 -22.219 1.00 1.52 H new ATOM 0 HB3 LYS A 54 15.058 4.010 -21.264 1.00 1.52 H new ATOM 0 HG2 LYS A 54 14.654 2.735 -23.391 1.00 14.35 H new ATOM 0 HG3 LYS A 54 15.271 4.104 -24.294 1.00 14.35 H new ATOM 0 HD2 LYS A 54 17.241 2.946 -24.104 1.00 31.10 H new ATOM 0 HD3 LYS A 54 17.336 3.823 -22.590 1.00 31.10 H new ATOM 0 HE2 LYS A 54 17.781 1.582 -21.987 1.00 4.14 H new ATOM 0 HE3 LYS A 54 16.111 1.829 -21.516 1.00 4.14 H new ATOM 0 HZ1 LYS A 54 16.554 -0.277 -22.734 1.00 74.20 H new ATOM 0 HZ2 LYS A 54 15.351 0.688 -23.445 1.00 74.20 H new ATOM 0 HZ3 LYS A 54 16.908 0.636 -24.121 1.00 74.20 H new ATOM 893 N GLU A 55 12.814 4.663 -24.643 1.00 40.53 N ATOM 894 CA GLU A 55 12.529 5.075 -26.013 1.00 34.33 C ATOM 895 C GLU A 55 11.368 6.064 -26.052 1.00 62.44 C ATOM 896 O GLU A 55 11.378 7.020 -26.826 1.00 64.33 O ATOM 897 CB GLU A 55 12.206 3.857 -26.879 1.00 54.52 C ATOM 898 CG GLU A 55 13.345 3.443 -27.797 1.00 43.30 C ATOM 899 CD GLU A 55 12.888 2.531 -28.918 1.00 43.41 C ATOM 900 OE1 GLU A 55 12.504 1.378 -28.627 1.00 73.10 O ATOM 901 OE2 GLU A 55 12.913 2.969 -30.087 1.00 30.44 O ATOM 0 H GLU A 55 12.699 3.664 -24.470 1.00 40.53 H new ATOM 0 HA GLU A 55 13.417 5.567 -26.410 1.00 34.33 H new ATOM 0 HB2 GLU A 55 11.950 3.019 -26.231 1.00 54.52 H new ATOM 0 HB3 GLU A 55 11.325 4.074 -27.483 1.00 54.52 H new ATOM 0 HG2 GLU A 55 13.805 4.334 -28.223 1.00 43.30 H new ATOM 0 HG3 GLU A 55 14.113 2.937 -27.212 1.00 43.30 H new ATOM 908 N GLY A 56 10.365 5.825 -25.211 1.00 70.44 N ATOM 909 CA GLY A 56 9.210 6.702 -25.167 1.00 71.32 C ATOM 910 C GLY A 56 9.553 8.087 -24.656 1.00 22.44 C ATOM 911 O GLY A 56 9.141 9.090 -25.240 1.00 25.41 O ATOM 0 H GLY A 56 10.332 5.040 -24.560 1.00 70.44 H new ATOM 0 HA2 GLY A 56 8.781 6.783 -26.166 1.00 71.32 H new ATOM 0 HA3 GLY A 56 8.447 6.260 -24.526 1.00 71.32 H new ATOM 915 N CYS A 57 10.306 8.144 -23.564 1.00 0.30 N ATOM 916 CA CYS A 57 10.702 9.417 -22.972 1.00 72.33 C ATOM 917 C CYS A 57 11.406 10.298 -24.000 1.00 70.22 C ATOM 918 O CYS A 57 11.371 11.525 -23.907 1.00 13.32 O ATOM 919 CB CYS A 57 11.618 9.182 -21.771 1.00 61.43 C ATOM 920 SG CYS A 57 11.011 9.902 -20.227 1.00 65.33 S ATOM 0 H CYS A 57 10.655 7.323 -23.070 1.00 0.30 H new ATOM 0 HA CYS A 57 9.801 9.930 -22.636 1.00 72.33 H new ATOM 0 HB2 CYS A 57 11.749 8.109 -21.632 1.00 61.43 H new ATOM 0 HB3 CYS A 57 12.601 9.597 -21.991 1.00 61.43 H new ATOM 0 HG CYS A 57 11.958 10.597 -19.671 1.00 65.33 H new ATOM 926 N GLN A 58 12.046 9.663 -24.977 1.00 41.40 N ATOM 927 CA GLN A 58 12.760 10.389 -26.021 1.00 5.43 C ATOM 928 C GLN A 58 11.788 11.146 -26.920 1.00 2.41 C ATOM 929 O GLN A 58 12.174 12.079 -27.624 1.00 31.45 O ATOM 930 CB GLN A 58 13.602 9.425 -26.857 1.00 12.21 C ATOM 931 CG GLN A 58 14.904 10.031 -27.357 1.00 45.44 C ATOM 932 CD GLN A 58 15.518 9.238 -28.493 1.00 51.45 C ATOM 933 OE1 GLN A 58 14.916 9.084 -29.557 1.00 5.05 O ATOM 934 NE2 GLN A 58 16.725 8.729 -28.275 1.00 13.02 N ATOM 0 H GLN A 58 12.085 8.648 -25.067 1.00 41.40 H new ATOM 0 HA GLN A 58 13.419 11.112 -25.540 1.00 5.43 H new ATOM 0 HB2 GLN A 58 13.828 8.541 -26.260 1.00 12.21 H new ATOM 0 HB3 GLN A 58 13.015 9.090 -27.712 1.00 12.21 H new ATOM 0 HG2 GLN A 58 14.721 11.053 -27.690 1.00 45.44 H new ATOM 0 HG3 GLN A 58 15.615 10.087 -26.532 1.00 45.44 H new ATOM 0 HE21 GLN A 58 17.188 8.881 -27.379 1.00 13.02 H new ATOM 0 HE22 GLN A 58 17.189 8.187 -29.004 1.00 13.02 H new ATOM 943 N LYS A 59 10.524 10.738 -26.892 1.00 41.54 N ATOM 944 CA LYS A 59 9.495 11.376 -27.705 1.00 1.04 C ATOM 945 C LYS A 59 8.991 12.652 -27.038 1.00 41.41 C ATOM 946 O LYS A 59 8.356 13.490 -27.680 1.00 52.53 O ATOM 947 CB LYS A 59 8.328 10.414 -27.936 1.00 75.44 C ATOM 948 CG LYS A 59 8.107 10.068 -29.399 1.00 12.33 C ATOM 949 CD LYS A 59 7.026 9.013 -29.565 1.00 71.13 C ATOM 950 CE LYS A 59 5.660 9.645 -29.786 1.00 52.40 C ATOM 951 NZ LYS A 59 4.830 9.617 -28.550 1.00 45.14 N ATOM 0 H LYS A 59 10.187 9.968 -26.315 1.00 41.54 H new ATOM 0 HA LYS A 59 9.937 11.638 -28.666 1.00 1.04 H new ATOM 0 HB2 LYS A 59 8.509 9.496 -27.377 1.00 75.44 H new ATOM 0 HB3 LYS A 59 7.417 10.858 -27.534 1.00 75.44 H new ATOM 0 HG2 LYS A 59 7.827 10.967 -29.948 1.00 12.33 H new ATOM 0 HG3 LYS A 59 9.039 9.707 -29.833 1.00 12.33 H new ATOM 0 HD2 LYS A 59 7.271 8.369 -30.410 1.00 71.13 H new ATOM 0 HD3 LYS A 59 6.996 8.379 -28.679 1.00 71.13 H new ATOM 0 HE2 LYS A 59 5.786 10.676 -30.116 1.00 52.40 H new ATOM 0 HE3 LYS A 59 5.140 9.116 -30.585 1.00 52.40 H new ATOM 0 HZ1 LYS A 59 3.907 10.057 -28.742 1.00 45.14 H new ATOM 0 HZ2 LYS A 59 4.688 8.632 -28.249 1.00 45.14 H new ATOM 0 HZ3 LYS A 59 5.314 10.143 -27.795 1.00 45.14 H new ATOM 965 N ILE A 60 9.278 12.793 -25.748 1.00 24.31 N ATOM 966 CA ILE A 60 8.854 13.969 -24.996 1.00 71.11 C ATOM 967 C ILE A 60 9.872 15.097 -25.123 1.00 4.10 C ATOM 968 O ILE A 60 9.522 16.229 -25.460 1.00 1.11 O ATOM 969 CB ILE A 60 8.651 13.640 -23.506 1.00 72.42 C ATOM 970 CG1 ILE A 60 7.780 12.392 -23.351 1.00 3.25 C ATOM 971 CG2 ILE A 60 8.024 14.823 -22.783 1.00 63.43 C ATOM 972 CD1 ILE A 60 7.577 11.972 -21.911 1.00 74.13 C ATOM 0 H ILE A 60 9.802 12.109 -25.202 1.00 24.31 H new ATOM 0 HA ILE A 60 7.903 14.291 -25.421 1.00 71.11 H new ATOM 0 HB ILE A 60 9.624 13.439 -23.058 1.00 72.42 H new ATOM 0 HG12 ILE A 60 6.808 12.578 -23.807 1.00 3.25 H new ATOM 0 HG13 ILE A 60 8.237 11.569 -23.900 1.00 3.25 H new ATOM 0 HG21 ILE A 60 7.887 14.575 -21.731 1.00 63.43 H new ATOM 0 HG22 ILE A 60 8.678 15.690 -22.869 1.00 63.43 H new ATOM 0 HG23 ILE A 60 7.057 15.052 -23.231 1.00 63.43 H new ATOM 0 HD11 ILE A 60 6.950 11.081 -21.877 1.00 74.13 H new ATOM 0 HD12 ILE A 60 8.543 11.754 -21.456 1.00 74.13 H new ATOM 0 HD13 ILE A 60 7.091 12.779 -21.362 1.00 74.13 H new ATOM 984 N LEU A 61 11.133 14.782 -24.851 1.00 22.54 N ATOM 985 CA LEU A 61 12.204 15.770 -24.936 1.00 33.34 C ATOM 986 C LEU A 61 12.360 16.283 -26.363 1.00 73.14 C ATOM 987 O LEU A 61 12.727 17.437 -26.585 1.00 23.25 O ATOM 988 CB LEU A 61 13.522 15.164 -24.453 1.00 15.03 C ATOM 989 CG LEU A 61 13.565 14.731 -22.986 1.00 34.32 C ATOM 990 CD1 LEU A 61 14.877 14.026 -22.676 1.00 2.14 C ATOM 991 CD2 LEU A 61 13.372 15.931 -22.070 1.00 72.43 C ATOM 0 H LEU A 61 11.440 13.851 -24.570 1.00 22.54 H new ATOM 0 HA LEU A 61 11.941 16.611 -24.295 1.00 33.34 H new ATOM 0 HB2 LEU A 61 13.749 14.297 -25.074 1.00 15.03 H new ATOM 0 HB3 LEU A 61 14.316 15.892 -24.619 1.00 15.03 H new ATOM 0 HG LEU A 61 12.749 14.030 -22.809 1.00 34.32 H new ATOM 0 HD11 LEU A 61 14.890 13.725 -21.628 1.00 2.14 H new ATOM 0 HD12 LEU A 61 14.974 13.143 -23.308 1.00 2.14 H new ATOM 0 HD13 LEU A 61 15.709 14.704 -22.869 1.00 2.14 H new ATOM 0 HD21 LEU A 61 13.405 15.604 -21.031 1.00 72.43 H new ATOM 0 HD22 LEU A 61 14.166 16.656 -22.248 1.00 72.43 H new ATOM 0 HD23 LEU A 61 12.406 16.393 -22.274 1.00 72.43 H new ATOM 1003 N THR A 62 12.078 15.417 -27.332 1.00 53.51 N ATOM 1004 CA THR A 62 12.186 15.782 -28.739 1.00 5.02 C ATOM 1005 C THR A 62 11.125 16.806 -29.124 1.00 43.23 C ATOM 1006 O THR A 62 11.397 17.746 -29.871 1.00 44.33 O ATOM 1007 CB THR A 62 12.048 14.548 -29.652 1.00 65.10 C ATOM 1008 OG1 THR A 62 12.642 14.814 -30.927 1.00 65.03 O ATOM 1009 CG2 THR A 62 10.584 14.173 -29.836 1.00 53.13 C ATOM 0 H THR A 62 11.773 14.458 -27.168 1.00 53.51 H new ATOM 0 HA THR A 62 13.175 16.218 -28.877 1.00 5.02 H new ATOM 0 HB THR A 62 12.564 13.713 -29.179 1.00 65.10 H new ATOM 0 HG1 THR A 62 12.552 14.025 -31.501 1.00 65.03 H new ATOM 0 HG21 THR A 62 10.511 13.300 -30.484 1.00 53.13 H new ATOM 0 HG22 THR A 62 10.143 13.943 -28.866 1.00 53.13 H new ATOM 0 HG23 THR A 62 10.049 15.007 -30.290 1.00 53.13 H new ATOM 1017 N VAL A 63 9.913 16.619 -28.609 1.00 60.20 N ATOM 1018 CA VAL A 63 8.811 17.529 -28.898 1.00 22.04 C ATOM 1019 C VAL A 63 8.970 18.843 -28.141 1.00 74.45 C ATOM 1020 O VAL A 63 8.769 19.922 -28.701 1.00 45.22 O ATOM 1021 CB VAL A 63 7.454 16.900 -28.531 1.00 50.21 C ATOM 1022 CG1 VAL A 63 6.323 17.885 -28.784 1.00 22.24 C ATOM 1023 CG2 VAL A 63 7.235 15.613 -29.311 1.00 63.54 C ATOM 0 H VAL A 63 9.670 15.846 -27.990 1.00 60.20 H new ATOM 0 HA VAL A 63 8.835 17.725 -29.970 1.00 22.04 H new ATOM 0 HB VAL A 63 7.461 16.657 -27.468 1.00 50.21 H new ATOM 0 HG11 VAL A 63 5.372 17.423 -28.519 1.00 22.24 H new ATOM 0 HG12 VAL A 63 6.475 18.777 -28.176 1.00 22.24 H new ATOM 0 HG13 VAL A 63 6.311 18.162 -29.838 1.00 22.24 H new ATOM 0 HG21 VAL A 63 6.271 15.182 -29.039 1.00 63.54 H new ATOM 0 HG22 VAL A 63 7.248 15.828 -30.379 1.00 63.54 H new ATOM 0 HG23 VAL A 63 8.029 14.905 -29.074 1.00 63.54 H new ATOM 1033 N LEU A 64 9.335 18.746 -26.868 1.00 31.13 N ATOM 1034 CA LEU A 64 9.523 19.928 -26.034 1.00 70.21 C ATOM 1035 C LEU A 64 10.823 20.643 -26.387 1.00 73.34 C ATOM 1036 O LEU A 64 11.006 21.817 -26.065 1.00 65.11 O ATOM 1037 CB LEU A 64 9.528 19.537 -24.555 1.00 50.03 C ATOM 1038 CG LEU A 64 8.284 18.806 -24.050 1.00 43.24 C ATOM 1039 CD1 LEU A 64 8.519 18.255 -22.652 1.00 54.43 C ATOM 1040 CD2 LEU A 64 7.078 19.733 -24.064 1.00 1.31 C ATOM 0 H LEU A 64 9.507 17.861 -26.390 1.00 31.13 H new ATOM 0 HA LEU A 64 8.693 20.610 -26.221 1.00 70.21 H new ATOM 0 HB2 LEU A 64 10.397 18.905 -24.370 1.00 50.03 H new ATOM 0 HB3 LEU A 64 9.660 20.441 -23.961 1.00 50.03 H new ATOM 0 HG LEU A 64 8.082 17.969 -24.719 1.00 43.24 H new ATOM 0 HD11 LEU A 64 7.623 17.738 -22.309 1.00 54.43 H new ATOM 0 HD12 LEU A 64 9.355 17.556 -22.672 1.00 54.43 H new ATOM 0 HD13 LEU A 64 8.748 19.075 -21.971 1.00 54.43 H new ATOM 0 HD21 LEU A 64 6.202 19.196 -23.701 1.00 1.31 H new ATOM 0 HD22 LEU A 64 7.271 20.590 -23.419 1.00 1.31 H new ATOM 0 HD23 LEU A 64 6.896 20.078 -25.082 1.00 1.31 H new ATOM 1052 N ASP A 65 11.724 19.927 -27.052 1.00 71.24 N ATOM 1053 CA ASP A 65 13.007 20.493 -27.452 1.00 52.14 C ATOM 1054 C ASP A 65 12.814 21.831 -28.160 1.00 5.51 C ATOM 1055 O ASP A 65 13.266 22.878 -27.695 1.00 54.41 O ATOM 1056 CB ASP A 65 13.754 19.522 -28.367 1.00 71.42 C ATOM 1057 CG ASP A 65 14.991 18.943 -27.710 1.00 0.20 C ATOM 1058 OD1 ASP A 65 15.814 19.730 -27.197 1.00 53.42 O ATOM 1059 OD2 ASP A 65 15.136 17.702 -27.708 1.00 63.25 O ATOM 0 H ASP A 65 11.589 18.954 -27.325 1.00 71.24 H new ATOM 0 HA ASP A 65 13.598 20.660 -26.552 1.00 52.14 H new ATOM 0 HB2 ASP A 65 13.085 18.711 -28.654 1.00 71.42 H new ATOM 0 HB3 ASP A 65 14.041 20.038 -29.283 1.00 71.42 H new ATOM 1064 N PRO A 66 12.126 21.798 -29.310 1.00 53.14 N ATOM 1065 CA PRO A 66 11.858 23.000 -30.107 1.00 41.21 C ATOM 1066 C PRO A 66 10.864 23.935 -29.427 1.00 63.24 C ATOM 1067 O PRO A 66 10.647 25.059 -29.878 1.00 70.34 O ATOM 1068 CB PRO A 66 11.265 22.440 -31.403 1.00 23.34 C ATOM 1069 CG PRO A 66 10.677 21.128 -31.015 1.00 61.04 C ATOM 1070 CD PRO A 66 11.557 20.586 -29.924 1.00 72.10 C ATOM 0 HA PRO A 66 12.756 23.600 -30.257 1.00 41.21 H new ATOM 0 HB2 PRO A 66 10.507 23.108 -31.812 1.00 23.34 H new ATOM 0 HB3 PRO A 66 12.031 22.319 -32.169 1.00 23.34 H new ATOM 0 HG2 PRO A 66 9.652 21.248 -30.666 1.00 61.04 H new ATOM 0 HG3 PRO A 66 10.646 20.447 -31.866 1.00 61.04 H new ATOM 0 HD2 PRO A 66 10.988 20.000 -29.203 1.00 72.10 H new ATOM 0 HD3 PRO A 66 12.335 19.934 -30.322 1.00 72.10 H new ATOM 1078 N MET A 67 10.264 23.464 -28.338 1.00 71.52 N ATOM 1079 CA MET A 67 9.295 24.262 -27.596 1.00 44.40 C ATOM 1080 C MET A 67 9.973 25.026 -26.464 1.00 23.34 C ATOM 1081 O MET A 67 9.414 25.980 -25.923 1.00 4.34 O ATOM 1082 CB MET A 67 8.191 23.365 -27.032 1.00 3.04 C ATOM 1083 CG MET A 67 6.824 23.625 -27.644 1.00 5.05 C ATOM 1084 SD MET A 67 6.749 23.180 -29.389 1.00 13.04 S ATOM 1085 CE MET A 67 5.963 24.635 -30.076 1.00 3.10 C ATOM 0 H MET A 67 10.432 22.535 -27.951 1.00 71.52 H new ATOM 0 HA MET A 67 8.853 24.983 -28.283 1.00 44.40 H new ATOM 0 HB2 MET A 67 8.462 22.322 -27.198 1.00 3.04 H new ATOM 0 HB3 MET A 67 8.131 23.511 -25.954 1.00 3.04 H new ATOM 0 HG2 MET A 67 6.071 23.059 -27.096 1.00 5.05 H new ATOM 0 HG3 MET A 67 6.574 24.680 -27.531 1.00 5.05 H new ATOM 0 HE1 MET A 67 5.847 24.512 -31.153 1.00 3.10 H new ATOM 0 HE2 MET A 67 4.983 24.770 -29.618 1.00 3.10 H new ATOM 0 HE3 MET A 67 6.580 25.511 -29.876 1.00 3.10 H new ATOM 1095 N VAL A 68 11.182 24.601 -26.110 1.00 4.32 N ATOM 1096 CA VAL A 68 11.937 25.247 -25.042 1.00 73.14 C ATOM 1097 C VAL A 68 12.188 26.718 -25.359 1.00 14.33 C ATOM 1098 O VAL A 68 11.820 27.613 -24.599 1.00 4.34 O ATOM 1099 CB VAL A 68 13.288 24.545 -24.808 1.00 24.05 C ATOM 1100 CG1 VAL A 68 14.317 25.532 -24.274 1.00 44.53 C ATOM 1101 CG2 VAL A 68 13.120 23.372 -23.854 1.00 40.24 C ATOM 0 H VAL A 68 11.659 23.813 -26.547 1.00 4.32 H new ATOM 0 HA VAL A 68 11.335 25.172 -24.137 1.00 73.14 H new ATOM 0 HB VAL A 68 13.648 24.160 -25.762 1.00 24.05 H new ATOM 0 HG11 VAL A 68 15.265 25.019 -24.115 1.00 44.53 H new ATOM 0 HG12 VAL A 68 14.457 26.337 -24.995 1.00 44.53 H new ATOM 0 HG13 VAL A 68 13.966 25.948 -23.329 1.00 44.53 H new ATOM 0 HG21 VAL A 68 14.084 22.887 -23.700 1.00 40.24 H new ATOM 0 HG22 VAL A 68 12.738 23.732 -22.899 1.00 40.24 H new ATOM 0 HG23 VAL A 68 12.417 22.655 -24.279 1.00 40.24 H new ATOM 1111 N PRO A 69 12.830 26.973 -26.508 1.00 62.41 N ATOM 1112 CA PRO A 69 13.144 28.335 -26.952 1.00 53.31 C ATOM 1113 C PRO A 69 11.898 29.114 -27.360 1.00 5.11 C ATOM 1114 O PRO A 69 11.988 30.247 -27.832 1.00 31.50 O ATOM 1115 CB PRO A 69 14.055 28.112 -28.162 1.00 12.35 C ATOM 1116 CG PRO A 69 13.685 26.761 -28.671 1.00 61.33 C ATOM 1117 CD PRO A 69 13.298 25.955 -27.463 1.00 22.20 C ATOM 0 HA PRO A 69 13.602 28.927 -26.159 1.00 53.31 H new ATOM 0 HB2 PRO A 69 13.899 28.878 -28.922 1.00 12.35 H new ATOM 0 HB3 PRO A 69 15.107 28.154 -27.879 1.00 12.35 H new ATOM 0 HG2 PRO A 69 12.859 26.824 -29.379 1.00 61.33 H new ATOM 0 HG3 PRO A 69 14.521 26.300 -29.196 1.00 61.33 H new ATOM 0 HD2 PRO A 69 12.515 25.233 -27.696 1.00 22.20 H new ATOM 0 HD3 PRO A 69 14.144 25.392 -27.068 1.00 22.20 H new ATOM 1125 N THR A 70 10.734 28.498 -27.176 1.00 1.04 N ATOM 1126 CA THR A 70 9.470 29.133 -27.525 1.00 24.53 C ATOM 1127 C THR A 70 8.346 28.664 -26.608 1.00 13.24 C ATOM 1128 O THR A 70 7.208 28.493 -27.042 1.00 2.03 O ATOM 1129 CB THR A 70 9.080 28.842 -28.986 1.00 61.12 C ATOM 1130 OG1 THR A 70 10.258 28.682 -29.785 1.00 5.12 O ATOM 1131 CG2 THR A 70 8.226 29.967 -29.553 1.00 10.30 C ATOM 0 H THR A 70 10.641 27.560 -26.787 1.00 1.04 H new ATOM 0 HA THR A 70 9.612 30.207 -27.401 1.00 24.53 H new ATOM 0 HB THR A 70 8.499 27.920 -29.007 1.00 61.12 H new ATOM 0 HG1 THR A 70 10.001 28.496 -30.712 1.00 5.12 H new ATOM 0 HG21 THR A 70 7.963 29.739 -30.586 1.00 10.30 H new ATOM 0 HG22 THR A 70 7.317 30.067 -28.961 1.00 10.30 H new ATOM 0 HG23 THR A 70 8.786 30.901 -29.519 1.00 10.30 H new ATOM 1139 N GLY A 71 8.674 28.457 -25.335 1.00 53.20 N ATOM 1140 CA GLY A 71 7.682 28.009 -24.377 1.00 3.30 C ATOM 1141 C GLY A 71 7.848 28.665 -23.021 1.00 14.05 C ATOM 1142 O GLY A 71 8.958 29.027 -22.630 1.00 64.32 O ATOM 0 H GLY A 71 9.609 28.592 -24.952 1.00 53.20 H new ATOM 0 HA2 GLY A 71 6.686 28.225 -24.762 1.00 3.30 H new ATOM 0 HA3 GLY A 71 7.752 26.927 -24.265 1.00 3.30 H new ATOM 1146 N SER A 72 6.742 28.820 -22.300 1.00 1.44 N ATOM 1147 CA SER A 72 6.770 29.441 -20.981 1.00 21.44 C ATOM 1148 C SER A 72 7.350 28.486 -19.941 1.00 64.34 C ATOM 1149 O SER A 72 7.584 27.312 -20.226 1.00 32.11 O ATOM 1150 CB SER A 72 5.361 29.869 -20.566 1.00 3.32 C ATOM 1151 OG SER A 72 4.696 28.829 -19.869 1.00 42.14 O ATOM 0 H SER A 72 5.815 28.524 -22.607 1.00 1.44 H new ATOM 0 HA SER A 72 7.409 30.322 -21.036 1.00 21.44 H new ATOM 0 HB2 SER A 72 5.418 30.756 -19.934 1.00 3.32 H new ATOM 0 HB3 SER A 72 4.786 30.144 -21.450 1.00 3.32 H new ATOM 0 HG SER A 72 4.121 29.215 -19.176 1.00 42.14 H new ATOM 1157 N GLU A 73 7.580 29.001 -18.737 1.00 72.12 N ATOM 1158 CA GLU A 73 8.134 28.194 -17.656 1.00 40.02 C ATOM 1159 C GLU A 73 7.333 26.909 -17.471 1.00 0.34 C ATOM 1160 O GLU A 73 7.888 25.860 -17.144 1.00 64.43 O ATOM 1161 CB GLU A 73 8.149 28.992 -16.351 1.00 11.23 C ATOM 1162 CG GLU A 73 9.256 30.031 -16.286 1.00 4.01 C ATOM 1163 CD GLU A 73 9.798 30.219 -14.882 1.00 11.10 C ATOM 1164 OE1 GLU A 73 10.518 29.320 -14.399 1.00 32.14 O ATOM 1165 OE2 GLU A 73 9.500 31.263 -14.266 1.00 72.52 O ATOM 0 H GLU A 73 7.392 29.972 -18.486 1.00 72.12 H new ATOM 0 HA GLU A 73 9.157 27.928 -17.922 1.00 40.02 H new ATOM 0 HB2 GLU A 73 7.187 29.490 -16.228 1.00 11.23 H new ATOM 0 HB3 GLU A 73 8.260 28.302 -15.514 1.00 11.23 H new ATOM 0 HG2 GLU A 73 10.069 29.732 -16.948 1.00 4.01 H new ATOM 0 HG3 GLU A 73 8.877 30.984 -16.656 1.00 4.01 H new ATOM 1172 N ASN A 74 6.023 26.999 -17.680 1.00 72.55 N ATOM 1173 CA ASN A 74 5.145 25.845 -17.535 1.00 44.42 C ATOM 1174 C ASN A 74 5.703 24.639 -18.282 1.00 54.43 C ATOM 1175 O ASN A 74 5.488 23.493 -17.885 1.00 3.11 O ATOM 1176 CB ASN A 74 3.743 26.176 -18.053 1.00 13.11 C ATOM 1177 CG ASN A 74 3.111 27.336 -17.309 1.00 33.23 C ATOM 1178 OD1 ASN A 74 2.965 28.431 -17.852 1.00 41.25 O ATOM 1179 ND2 ASN A 74 2.733 27.100 -16.058 1.00 31.24 N ATOM 0 H ASN A 74 5.547 27.860 -17.950 1.00 72.55 H new ATOM 0 HA ASN A 74 5.085 25.597 -16.475 1.00 44.42 H new ATOM 0 HB2 ASN A 74 3.798 26.416 -19.115 1.00 13.11 H new ATOM 0 HB3 ASN A 74 3.106 25.296 -17.957 1.00 13.11 H new ATOM 0 HD21 ASN A 74 2.302 27.842 -15.507 1.00 31.24 H new ATOM 0 HD22 ASN A 74 2.874 26.177 -15.648 1.00 31.24 H new ATOM 1186 N LEU A 75 6.424 24.903 -19.367 1.00 23.10 N ATOM 1187 CA LEU A 75 7.015 23.839 -20.172 1.00 24.14 C ATOM 1188 C LEU A 75 8.437 23.534 -19.710 1.00 0.42 C ATOM 1189 O LEU A 75 8.733 22.424 -19.268 1.00 2.44 O ATOM 1190 CB LEU A 75 7.020 24.232 -21.650 1.00 24.43 C ATOM 1191 CG LEU A 75 7.195 23.088 -22.649 1.00 24.12 C ATOM 1192 CD1 LEU A 75 6.096 23.124 -23.699 1.00 43.41 C ATOM 1193 CD2 LEU A 75 8.566 23.158 -23.306 1.00 43.31 C ATOM 0 H LEU A 75 6.613 25.845 -19.709 1.00 23.10 H new ATOM 0 HA LEU A 75 6.410 22.941 -20.044 1.00 24.14 H new ATOM 0 HB2 LEU A 75 6.083 24.742 -21.873 1.00 24.43 H new ATOM 0 HB3 LEU A 75 7.821 24.953 -21.811 1.00 24.43 H new ATOM 0 HG LEU A 75 7.122 22.144 -22.108 1.00 24.12 H new ATOM 0 HD11 LEU A 75 6.237 22.302 -24.401 1.00 43.41 H new ATOM 0 HD12 LEU A 75 5.125 23.024 -23.213 1.00 43.41 H new ATOM 0 HD13 LEU A 75 6.137 24.072 -24.236 1.00 43.41 H new ATOM 0 HD21 LEU A 75 8.673 22.336 -24.014 1.00 43.31 H new ATOM 0 HD22 LEU A 75 8.669 24.106 -23.833 1.00 43.31 H new ATOM 0 HD23 LEU A 75 9.340 23.082 -22.542 1.00 43.31 H new ATOM 1205 N LYS A 76 9.313 24.528 -19.814 1.00 52.42 N ATOM 1206 CA LYS A 76 10.703 24.367 -19.404 1.00 61.51 C ATOM 1207 C LYS A 76 10.799 23.587 -18.098 1.00 72.30 C ATOM 1208 O LYS A 76 11.707 22.776 -17.913 1.00 60.25 O ATOM 1209 CB LYS A 76 11.368 25.736 -19.244 1.00 33.52 C ATOM 1210 CG LYS A 76 12.001 26.259 -20.521 1.00 75.24 C ATOM 1211 CD LYS A 76 11.554 27.678 -20.826 1.00 24.23 C ATOM 1212 CE LYS A 76 12.450 28.335 -21.865 1.00 2.40 C ATOM 1213 NZ LYS A 76 13.533 29.139 -21.235 1.00 4.12 N ATOM 0 H LYS A 76 9.085 25.453 -20.179 1.00 52.42 H new ATOM 0 HA LYS A 76 11.223 23.805 -20.180 1.00 61.51 H new ATOM 0 HB2 LYS A 76 10.624 26.453 -18.897 1.00 33.52 H new ATOM 0 HB3 LYS A 76 12.133 25.671 -18.470 1.00 33.52 H new ATOM 0 HG2 LYS A 76 13.087 26.231 -20.428 1.00 75.24 H new ATOM 0 HG3 LYS A 76 11.736 25.607 -21.353 1.00 75.24 H new ATOM 0 HD2 LYS A 76 10.525 27.667 -21.186 1.00 24.23 H new ATOM 0 HD3 LYS A 76 11.564 28.268 -19.910 1.00 24.23 H new ATOM 0 HE2 LYS A 76 12.891 27.568 -22.502 1.00 2.40 H new ATOM 0 HE3 LYS A 76 11.849 28.977 -22.509 1.00 2.40 H new ATOM 0 HZ1 LYS A 76 14.121 29.570 -21.976 1.00 4.12 H new ATOM 0 HZ2 LYS A 76 13.113 29.887 -20.647 1.00 4.12 H new ATOM 0 HZ3 LYS A 76 14.122 28.522 -20.640 1.00 4.12 H new ATOM 1227 N SER A 77 9.856 23.836 -17.194 1.00 12.02 N ATOM 1228 CA SER A 77 9.837 23.158 -15.903 1.00 24.11 C ATOM 1229 C SER A 77 9.811 21.643 -16.086 1.00 22.34 C ATOM 1230 O SER A 77 10.697 20.934 -15.608 1.00 50.31 O ATOM 1231 CB SER A 77 8.623 23.605 -15.087 1.00 33.21 C ATOM 1232 OG SER A 77 8.988 24.573 -14.119 1.00 22.31 O ATOM 0 H SER A 77 9.096 24.502 -17.332 1.00 12.02 H new ATOM 0 HA SER A 77 10.746 23.426 -15.365 1.00 24.11 H new ATOM 0 HB2 SER A 77 7.866 24.019 -15.753 1.00 33.21 H new ATOM 0 HB3 SER A 77 8.175 22.743 -14.593 1.00 33.21 H new ATOM 0 HG SER A 77 8.194 24.844 -13.612 1.00 22.31 H new ATOM 1238 N LEU A 78 8.789 21.155 -16.780 1.00 62.42 N ATOM 1239 CA LEU A 78 8.646 19.725 -17.027 1.00 53.42 C ATOM 1240 C LEU A 78 9.812 19.195 -17.857 1.00 64.33 C ATOM 1241 O LEU A 78 10.344 18.120 -17.584 1.00 70.00 O ATOM 1242 CB LEU A 78 7.325 19.440 -17.743 1.00 1.14 C ATOM 1243 CG LEU A 78 7.109 17.999 -18.207 1.00 30.55 C ATOM 1244 CD1 LEU A 78 6.927 17.075 -17.012 1.00 45.24 C ATOM 1245 CD2 LEU A 78 5.909 17.912 -19.138 1.00 20.55 C ATOM 0 H LEU A 78 8.047 21.729 -17.182 1.00 62.42 H new ATOM 0 HA LEU A 78 8.648 19.214 -16.064 1.00 53.42 H new ATOM 0 HB2 LEU A 78 6.507 19.712 -17.075 1.00 1.14 H new ATOM 0 HB3 LEU A 78 7.258 20.094 -18.612 1.00 1.14 H new ATOM 0 HG LEU A 78 7.994 17.679 -18.757 1.00 30.55 H new ATOM 0 HD11 LEU A 78 6.775 16.054 -17.362 1.00 45.24 H new ATOM 0 HD12 LEU A 78 7.816 17.114 -16.383 1.00 45.24 H new ATOM 0 HD13 LEU A 78 6.060 17.394 -16.434 1.00 45.24 H new ATOM 0 HD21 LEU A 78 5.771 16.879 -19.458 1.00 20.55 H new ATOM 0 HD22 LEU A 78 5.016 18.252 -18.613 1.00 20.55 H new ATOM 0 HD23 LEU A 78 6.079 18.542 -20.011 1.00 20.55 H new ATOM 1257 N PHE A 79 10.203 19.960 -18.871 1.00 33.34 N ATOM 1258 CA PHE A 79 11.307 19.570 -19.741 1.00 3.44 C ATOM 1259 C PHE A 79 12.543 19.208 -18.922 1.00 61.35 C ATOM 1260 O PHE A 79 13.300 18.309 -19.286 1.00 63.32 O ATOM 1261 CB PHE A 79 11.640 20.701 -20.716 1.00 74.02 C ATOM 1262 CG PHE A 79 12.663 20.321 -21.748 1.00 72.31 C ATOM 1263 CD1 PHE A 79 12.385 19.345 -22.691 1.00 60.03 C ATOM 1264 CD2 PHE A 79 13.903 20.939 -21.774 1.00 73.43 C ATOM 1265 CE1 PHE A 79 13.325 18.993 -23.643 1.00 5.02 C ATOM 1266 CE2 PHE A 79 14.846 20.591 -22.723 1.00 43.11 C ATOM 1267 CZ PHE A 79 14.556 19.616 -23.657 1.00 70.12 C ATOM 0 H PHE A 79 9.772 20.853 -19.111 1.00 33.34 H new ATOM 0 HA PHE A 79 10.998 18.691 -20.307 1.00 3.44 H new ATOM 0 HB2 PHE A 79 10.726 21.016 -21.220 1.00 74.02 H new ATOM 0 HB3 PHE A 79 12.005 21.560 -20.153 1.00 74.02 H new ATOM 0 HD1 PHE A 79 11.423 18.853 -22.683 1.00 60.03 H new ATOM 0 HD2 PHE A 79 14.135 21.701 -21.045 1.00 73.43 H new ATOM 0 HE1 PHE A 79 13.096 18.232 -24.374 1.00 5.02 H new ATOM 0 HE2 PHE A 79 15.808 21.081 -22.734 1.00 43.11 H new ATOM 0 HZ PHE A 79 15.292 19.341 -24.398 1.00 70.12 H new ATOM 1277 N ASN A 80 12.740 19.917 -17.815 1.00 12.54 N ATOM 1278 CA ASN A 80 13.885 19.671 -16.945 1.00 4.15 C ATOM 1279 C ASN A 80 13.736 18.341 -16.212 1.00 60.12 C ATOM 1280 O ASN A 80 14.721 17.648 -15.953 1.00 51.01 O ATOM 1281 CB ASN A 80 14.035 20.809 -15.933 1.00 3.34 C ATOM 1282 CG ASN A 80 14.547 22.086 -16.570 1.00 74.21 C ATOM 1283 OD1 ASN A 80 14.288 22.355 -17.743 1.00 42.52 O ATOM 1284 ND2 ASN A 80 15.280 22.880 -15.798 1.00 14.21 N ATOM 0 H ASN A 80 12.123 20.665 -17.499 1.00 12.54 H new ATOM 0 HA ASN A 80 14.779 19.625 -17.567 1.00 4.15 H new ATOM 0 HB2 ASN A 80 13.071 21.002 -15.462 1.00 3.34 H new ATOM 0 HB3 ASN A 80 14.719 20.501 -15.143 1.00 3.34 H new ATOM 0 HD21 ASN A 80 15.653 23.752 -16.172 1.00 14.21 H new ATOM 0 HD22 ASN A 80 15.470 22.617 -14.831 1.00 14.21 H new ATOM 1291 N THR A 81 12.497 17.988 -15.882 1.00 33.42 N ATOM 1292 CA THR A 81 12.220 16.742 -15.179 1.00 44.01 C ATOM 1293 C THR A 81 12.258 15.554 -16.133 1.00 15.40 C ATOM 1294 O THR A 81 12.719 14.469 -15.773 1.00 30.24 O ATOM 1295 CB THR A 81 10.845 16.783 -14.485 1.00 32.44 C ATOM 1296 OG1 THR A 81 10.770 17.919 -13.615 1.00 55.52 O ATOM 1297 CG2 THR A 81 10.604 15.510 -13.687 1.00 12.01 C ATOM 0 H THR A 81 11.670 18.548 -16.091 1.00 33.42 H new ATOM 0 HA THR A 81 12.997 16.625 -14.424 1.00 44.01 H new ATOM 0 HB THR A 81 10.076 16.862 -15.253 1.00 32.44 H new ATOM 0 HG1 THR A 81 9.893 17.940 -13.179 1.00 55.52 H new ATOM 0 HG21 THR A 81 9.627 15.562 -13.206 1.00 12.01 H new ATOM 0 HG22 THR A 81 10.634 14.650 -14.356 1.00 12.01 H new ATOM 0 HG23 THR A 81 11.378 15.405 -12.927 1.00 12.01 H new ATOM 1305 N VAL A 82 11.774 15.762 -17.353 1.00 41.11 N ATOM 1306 CA VAL A 82 11.755 14.708 -18.359 1.00 41.04 C ATOM 1307 C VAL A 82 13.166 14.229 -18.681 1.00 25.24 C ATOM 1308 O VAL A 82 13.397 13.036 -18.880 1.00 34.43 O ATOM 1309 CB VAL A 82 11.078 15.184 -19.658 1.00 14.30 C ATOM 1310 CG1 VAL A 82 10.978 14.042 -20.658 1.00 64.22 C ATOM 1311 CG2 VAL A 82 9.704 15.764 -19.361 1.00 21.32 C ATOM 0 H VAL A 82 11.389 16.652 -17.669 1.00 41.11 H new ATOM 0 HA VAL A 82 11.181 13.882 -17.940 1.00 41.04 H new ATOM 0 HB VAL A 82 11.691 15.969 -20.100 1.00 14.30 H new ATOM 0 HG11 VAL A 82 10.497 14.397 -21.569 1.00 64.22 H new ATOM 0 HG12 VAL A 82 11.977 13.676 -20.894 1.00 64.22 H new ATOM 0 HG13 VAL A 82 10.388 13.233 -20.228 1.00 64.22 H new ATOM 0 HG21 VAL A 82 9.240 16.095 -20.290 1.00 21.32 H new ATOM 0 HG22 VAL A 82 9.080 15.001 -18.896 1.00 21.32 H new ATOM 0 HG23 VAL A 82 9.806 16.612 -18.684 1.00 21.32 H new ATOM 1321 N CYS A 83 14.106 15.167 -18.730 1.00 31.35 N ATOM 1322 CA CYS A 83 15.496 14.841 -19.027 1.00 60.51 C ATOM 1323 C CYS A 83 16.077 13.914 -17.964 1.00 51.23 C ATOM 1324 O CYS A 83 16.950 13.095 -18.250 1.00 54.13 O ATOM 1325 CB CYS A 83 16.332 16.119 -19.118 1.00 31.01 C ATOM 1326 SG CYS A 83 16.459 16.801 -20.787 1.00 50.23 S ATOM 0 H CYS A 83 13.931 16.159 -18.568 1.00 31.35 H new ATOM 0 HA CYS A 83 15.525 14.326 -19.987 1.00 60.51 H new ATOM 0 HB2 CYS A 83 15.897 16.872 -18.461 1.00 31.01 H new ATOM 0 HB3 CYS A 83 17.335 15.912 -18.745 1.00 31.01 H new ATOM 0 HG CYS A 83 16.164 18.067 -20.762 1.00 50.23 H new ATOM 1332 N VAL A 84 15.586 14.049 -16.736 1.00 54.02 N ATOM 1333 CA VAL A 84 16.056 13.223 -15.631 1.00 12.44 C ATOM 1334 C VAL A 84 15.519 11.800 -15.740 1.00 44.22 C ATOM 1335 O VAL A 84 16.242 10.832 -15.501 1.00 30.40 O ATOM 1336 CB VAL A 84 15.639 13.815 -14.271 1.00 55.44 C ATOM 1337 CG1 VAL A 84 16.091 12.911 -13.134 1.00 41.42 C ATOM 1338 CG2 VAL A 84 16.204 15.218 -14.105 1.00 53.31 C ATOM 0 H VAL A 84 14.863 14.722 -16.482 1.00 54.02 H new ATOM 0 HA VAL A 84 17.144 13.203 -15.692 1.00 12.44 H new ATOM 0 HB VAL A 84 14.551 13.880 -14.241 1.00 55.44 H new ATOM 0 HG11 VAL A 84 15.788 13.345 -12.181 1.00 41.42 H new ATOM 0 HG12 VAL A 84 15.634 11.928 -13.247 1.00 41.42 H new ATOM 0 HG13 VAL A 84 17.176 12.811 -13.158 1.00 41.42 H new ATOM 0 HG21 VAL A 84 15.900 15.621 -13.139 1.00 53.31 H new ATOM 0 HG22 VAL A 84 17.292 15.180 -14.156 1.00 53.31 H new ATOM 0 HG23 VAL A 84 15.825 15.859 -14.901 1.00 53.31 H new ATOM 1348 N ILE A 85 14.246 11.681 -16.102 1.00 0.43 N ATOM 1349 CA ILE A 85 13.611 10.376 -16.244 1.00 74.14 C ATOM 1350 C ILE A 85 14.314 9.536 -17.306 1.00 21.33 C ATOM 1351 O ILE A 85 14.787 8.434 -17.028 1.00 2.44 O ATOM 1352 CB ILE A 85 12.123 10.511 -16.615 1.00 31.21 C ATOM 1353 CG1 ILE A 85 11.367 11.259 -15.514 1.00 75.33 C ATOM 1354 CG2 ILE A 85 11.509 9.139 -16.848 1.00 33.12 C ATOM 1355 CD1 ILE A 85 11.011 10.391 -14.329 1.00 2.13 C ATOM 0 H ILE A 85 13.634 12.472 -16.302 1.00 0.43 H new ATOM 0 HA ILE A 85 13.692 9.879 -15.277 1.00 74.14 H new ATOM 0 HB ILE A 85 12.044 11.084 -17.539 1.00 31.21 H new ATOM 0 HG12 ILE A 85 11.975 12.096 -15.171 1.00 75.33 H new ATOM 0 HG13 ILE A 85 10.453 11.680 -15.933 1.00 75.33 H new ATOM 0 HG21 ILE A 85 10.457 9.251 -17.109 1.00 33.12 H new ATOM 0 HG22 ILE A 85 12.034 8.639 -17.662 1.00 33.12 H new ATOM 0 HG23 ILE A 85 11.596 8.543 -15.940 1.00 33.12 H new ATOM 0 HD11 ILE A 85 10.477 10.987 -13.589 1.00 2.13 H new ATOM 0 HD12 ILE A 85 10.377 9.568 -14.658 1.00 2.13 H new ATOM 0 HD13 ILE A 85 11.922 9.991 -13.884 1.00 2.13 H new ATOM 1367 N TRP A 86 14.381 10.066 -18.522 1.00 72.23 N ATOM 1368 CA TRP A 86 15.028 9.366 -19.626 1.00 1.54 C ATOM 1369 C TRP A 86 16.429 8.910 -19.235 1.00 32.20 C ATOM 1370 O TRP A 86 16.878 7.836 -19.639 1.00 64.22 O ATOM 1371 CB TRP A 86 15.098 10.268 -20.858 1.00 45.34 C ATOM 1372 CG TRP A 86 15.710 9.600 -22.051 1.00 54.43 C ATOM 1373 CD1 TRP A 86 15.062 8.865 -23.003 1.00 53.42 C ATOM 1374 CD2 TRP A 86 17.095 9.601 -22.418 1.00 24.51 C ATOM 1375 NE1 TRP A 86 15.960 8.410 -23.939 1.00 64.40 N ATOM 1376 CE2 TRP A 86 17.213 8.850 -23.604 1.00 5.53 C ATOM 1377 CE3 TRP A 86 18.245 10.167 -21.862 1.00 23.51 C ATOM 1378 CZ2 TRP A 86 18.435 8.649 -24.239 1.00 21.22 C ATOM 1379 CZ3 TRP A 86 19.457 9.968 -22.493 1.00 32.30 C ATOM 1380 CH2 TRP A 86 19.546 9.215 -23.672 1.00 41.05 C ATOM 0 H TRP A 86 13.996 10.978 -18.768 1.00 72.23 H new ATOM 0 HA TRP A 86 14.432 8.485 -19.863 1.00 1.54 H new ATOM 0 HB2 TRP A 86 14.092 10.600 -21.113 1.00 45.34 H new ATOM 0 HB3 TRP A 86 15.676 11.160 -20.614 1.00 45.34 H new ATOM 0 HD1 TRP A 86 14.000 8.670 -23.018 1.00 53.42 H new ATOM 0 HE1 TRP A 86 15.730 7.837 -24.751 1.00 64.40 H new ATOM 0 HE3 TRP A 86 18.187 10.750 -20.955 1.00 23.51 H new ATOM 0 HZ2 TRP A 86 18.505 8.068 -25.146 1.00 21.22 H new ATOM 0 HZ3 TRP A 86 20.352 10.400 -22.071 1.00 32.30 H new ATOM 0 HH2 TRP A 86 20.509 9.079 -24.142 1.00 41.05 H new ATOM 1391 N CYS A 87 17.115 9.731 -18.448 1.00 14.44 N ATOM 1392 CA CYS A 87 18.466 9.411 -18.002 1.00 34.41 C ATOM 1393 C CYS A 87 18.476 8.139 -17.161 1.00 52.52 C ATOM 1394 O CYS A 87 19.241 7.212 -17.429 1.00 42.41 O ATOM 1395 CB CYS A 87 19.049 10.574 -17.196 1.00 61.11 C ATOM 1396 SG CYS A 87 20.119 11.673 -18.153 1.00 41.34 S ATOM 0 H CYS A 87 16.758 10.623 -18.106 1.00 14.44 H new ATOM 0 HA CYS A 87 19.082 9.245 -18.885 1.00 34.41 H new ATOM 0 HB2 CYS A 87 18.230 11.157 -16.776 1.00 61.11 H new ATOM 0 HB3 CYS A 87 19.617 10.172 -16.357 1.00 61.11 H new ATOM 0 HG CYS A 87 19.527 12.819 -18.319 1.00 41.34 H new ATOM 1402 N ILE A 88 17.622 8.102 -16.144 1.00 35.22 N ATOM 1403 CA ILE A 88 17.533 6.944 -15.263 1.00 74.22 C ATOM 1404 C ILE A 88 17.429 5.651 -16.065 1.00 70.43 C ATOM 1405 O ILE A 88 18.068 4.652 -15.738 1.00 14.42 O ATOM 1406 CB ILE A 88 16.322 7.047 -14.317 1.00 70.43 C ATOM 1407 CG1 ILE A 88 16.417 8.317 -13.469 1.00 14.21 C ATOM 1408 CG2 ILE A 88 16.237 5.815 -13.430 1.00 1.40 C ATOM 1409 CD1 ILE A 88 15.076 8.821 -12.985 1.00 72.51 C ATOM 0 H ILE A 88 16.982 8.861 -15.910 1.00 35.22 H new ATOM 0 HA ILE A 88 18.447 6.929 -14.669 1.00 74.22 H new ATOM 0 HB ILE A 88 15.414 7.101 -14.917 1.00 70.43 H new ATOM 0 HG12 ILE A 88 17.055 8.122 -12.607 1.00 14.21 H new ATOM 0 HG13 ILE A 88 16.901 9.099 -14.054 1.00 14.21 H new ATOM 0 HG21 ILE A 88 15.376 5.903 -12.767 1.00 1.40 H new ATOM 0 HG22 ILE A 88 16.128 4.926 -14.051 1.00 1.40 H new ATOM 0 HG23 ILE A 88 17.146 5.732 -12.835 1.00 1.40 H new ATOM 0 HD11 ILE A 88 15.219 9.723 -12.391 1.00 72.51 H new ATOM 0 HD12 ILE A 88 14.442 9.048 -13.842 1.00 72.51 H new ATOM 0 HD13 ILE A 88 14.599 8.055 -12.373 1.00 72.51 H new ATOM 1421 N HIS A 89 16.620 5.678 -17.120 1.00 32.55 N ATOM 1422 CA HIS A 89 16.433 4.509 -17.972 1.00 62.14 C ATOM 1423 C HIS A 89 17.577 4.380 -18.973 1.00 75.22 C ATOM 1424 O HIS A 89 17.953 3.243 -19.259 1.00 70.35 O ATOM 1425 CB HIS A 89 15.099 4.600 -18.713 1.00 72.43 C ATOM 1426 CG HIS A 89 13.915 4.715 -17.803 1.00 65.43 C ATOM 1427 ND1 HIS A 89 13.808 4.024 -16.616 1.00 42.54 N ATOM 1428 CD2 HIS A 89 12.783 5.450 -17.912 1.00 70.54 C ATOM 1429 CE1 HIS A 89 12.661 4.327 -16.035 1.00 2.52 C ATOM 1430 NE2 HIS A 89 12.021 5.191 -16.801 1.00 0.31 N ATOM 0 H HIS A 89 16.083 6.497 -17.405 1.00 32.55 H new ATOM 0 HA HIS A 89 16.427 3.623 -17.337 1.00 62.14 H new ATOM 0 HB2 HIS A 89 15.121 5.463 -19.378 1.00 72.43 H new ATOM 0 HB3 HIS A 89 14.980 3.717 -19.340 1.00 72.43 H new ATOM 0 HD2 HIS A 89 12.528 6.116 -18.723 1.00 70.54 H new ATOM 0 HE1 HIS A 89 12.307 3.935 -15.093 1.00 2.52 H new ATOM 0 HE2 HIS A 89 11.108 5.600 -16.600 1.00 0.31 H new ATOM 1438 N ALA A 90 18.122 5.474 -19.495 1.00 45.23 N ATOM 1439 CA ALA A 90 19.217 5.400 -20.454 1.00 62.43 C ATOM 1440 C ALA A 90 20.476 4.835 -19.806 1.00 21.24 C ATOM 1441 O ALA A 90 21.438 4.492 -20.493 1.00 32.54 O ATOM 1442 CB ALA A 90 19.495 6.774 -21.045 1.00 72.40 C ATOM 0 H ALA A 90 17.823 6.423 -19.270 1.00 45.23 H new ATOM 0 HA ALA A 90 18.920 4.726 -21.257 1.00 62.43 H new ATOM 0 HB1 ALA A 90 20.315 6.704 -21.760 1.00 72.40 H new ATOM 0 HB2 ALA A 90 18.602 7.139 -21.552 1.00 72.40 H new ATOM 0 HB3 ALA A 90 19.767 7.465 -20.247 1.00 72.40 H new ATOM 1448 N GLU A 91 20.464 4.743 -18.479 1.00 45.54 N ATOM 1449 CA GLU A 91 21.607 4.222 -17.740 1.00 44.32 C ATOM 1450 C GLU A 91 22.779 5.197 -17.791 1.00 24.24 C ATOM 1451 O GLU A 91 23.924 4.797 -17.995 1.00 52.41 O ATOM 1452 CB GLU A 91 22.033 2.865 -18.305 1.00 43.44 C ATOM 1453 CG GLU A 91 22.642 1.938 -17.268 1.00 52.42 C ATOM 1454 CD GLU A 91 21.670 1.582 -16.159 1.00 72.13 C ATOM 1455 OE1 GLU A 91 20.531 1.180 -16.474 1.00 51.33 O ATOM 1456 OE2 GLU A 91 22.049 1.708 -14.976 1.00 34.43 O ATOM 0 H GLU A 91 19.676 5.022 -17.895 1.00 45.54 H new ATOM 0 HA GLU A 91 21.307 4.096 -16.700 1.00 44.32 H new ATOM 0 HB2 GLU A 91 21.166 2.378 -18.750 1.00 43.44 H new ATOM 0 HB3 GLU A 91 22.755 3.025 -19.106 1.00 43.44 H new ATOM 0 HG2 GLU A 91 22.980 1.024 -17.757 1.00 52.42 H new ATOM 0 HG3 GLU A 91 23.523 2.412 -16.835 1.00 52.42 H new ATOM 1463 N GLU A 92 22.482 6.479 -17.603 1.00 61.11 N ATOM 1464 CA GLU A 92 23.511 7.512 -17.630 1.00 34.21 C ATOM 1465 C GLU A 92 23.689 8.139 -16.249 1.00 44.24 C ATOM 1466 O GLU A 92 22.720 8.560 -15.617 1.00 31.12 O ATOM 1467 CB GLU A 92 23.154 8.594 -18.651 1.00 13.53 C ATOM 1468 CG GLU A 92 23.229 8.119 -20.092 1.00 1.22 C ATOM 1469 CD GLU A 92 24.608 8.300 -20.695 1.00 70.43 C ATOM 1470 OE1 GLU A 92 25.603 8.173 -19.951 1.00 13.32 O ATOM 1471 OE2 GLU A 92 24.693 8.569 -21.912 1.00 12.34 O ATOM 0 H GLU A 92 21.539 6.827 -17.431 1.00 61.11 H new ATOM 0 HA GLU A 92 24.451 7.044 -17.922 1.00 34.21 H new ATOM 0 HB2 GLU A 92 22.146 8.955 -18.448 1.00 13.53 H new ATOM 0 HB3 GLU A 92 23.828 9.441 -18.521 1.00 13.53 H new ATOM 0 HG2 GLU A 92 22.952 7.066 -20.138 1.00 1.22 H new ATOM 0 HG3 GLU A 92 22.501 8.667 -20.690 1.00 1.22 H new ATOM 1478 N LYS A 93 24.934 8.196 -15.788 1.00 3.34 N ATOM 1479 CA LYS A 93 25.240 8.771 -14.483 1.00 51.23 C ATOM 1480 C LYS A 93 25.089 10.289 -14.508 1.00 44.53 C ATOM 1481 O LYS A 93 25.669 10.967 -15.356 1.00 55.22 O ATOM 1482 CB LYS A 93 26.662 8.397 -14.061 1.00 33.24 C ATOM 1483 CG LYS A 93 26.918 8.564 -12.572 1.00 63.50 C ATOM 1484 CD LYS A 93 27.590 9.893 -12.268 1.00 22.11 C ATOM 1485 CE LYS A 93 28.929 9.695 -11.575 1.00 71.03 C ATOM 1486 NZ LYS A 93 29.539 10.990 -11.165 1.00 71.45 N ATOM 0 H LYS A 93 25.747 7.851 -16.298 1.00 3.34 H new ATOM 0 HA LYS A 93 24.533 8.365 -13.759 1.00 51.23 H new ATOM 0 HB2 LYS A 93 26.855 7.361 -14.340 1.00 33.24 H new ATOM 0 HB3 LYS A 93 27.370 9.013 -14.614 1.00 33.24 H new ATOM 0 HG2 LYS A 93 25.974 8.500 -12.030 1.00 63.50 H new ATOM 0 HG3 LYS A 93 27.546 7.748 -12.216 1.00 63.50 H new ATOM 0 HD2 LYS A 93 27.737 10.448 -13.195 1.00 22.11 H new ATOM 0 HD3 LYS A 93 26.938 10.496 -11.636 1.00 22.11 H new ATOM 0 HE2 LYS A 93 28.793 9.063 -10.697 1.00 71.03 H new ATOM 0 HE3 LYS A 93 29.610 9.169 -12.244 1.00 71.03 H new ATOM 0 HZ1 LYS A 93 30.450 10.812 -10.696 1.00 71.45 H new ATOM 0 HZ2 LYS A 93 29.692 11.583 -12.005 1.00 71.45 H new ATOM 0 HZ3 LYS A 93 28.901 11.481 -10.506 1.00 71.45 H new ATOM 1500 N VAL A 94 24.305 10.816 -13.573 1.00 44.32 N ATOM 1501 CA VAL A 94 24.079 12.253 -13.486 1.00 33.41 C ATOM 1502 C VAL A 94 24.149 12.735 -12.041 1.00 70.42 C ATOM 1503 O VAL A 94 23.686 12.055 -11.126 1.00 11.04 O ATOM 1504 CB VAL A 94 22.712 12.644 -14.080 1.00 14.54 C ATOM 1505 CG1 VAL A 94 22.614 12.200 -15.532 1.00 21.44 C ATOM 1506 CG2 VAL A 94 21.583 12.046 -13.254 1.00 22.13 C ATOM 0 H VAL A 94 23.816 10.269 -12.865 1.00 44.32 H new ATOM 0 HA VAL A 94 24.869 12.732 -14.064 1.00 33.41 H new ATOM 0 HB VAL A 94 22.619 13.730 -14.050 1.00 14.54 H new ATOM 0 HG11 VAL A 94 21.642 12.485 -15.935 1.00 21.44 H new ATOM 0 HG12 VAL A 94 23.402 12.679 -16.113 1.00 21.44 H new ATOM 0 HG13 VAL A 94 22.728 11.118 -15.590 1.00 21.44 H new ATOM 0 HG21 VAL A 94 20.624 12.332 -13.687 1.00 22.13 H new ATOM 0 HG22 VAL A 94 21.670 10.960 -13.251 1.00 22.13 H new ATOM 0 HG23 VAL A 94 21.644 12.418 -12.231 1.00 22.13 H new ATOM 1516 N LYS A 95 24.732 13.912 -11.844 1.00 23.44 N ATOM 1517 CA LYS A 95 24.863 14.488 -10.510 1.00 51.14 C ATOM 1518 C LYS A 95 23.713 15.445 -10.216 1.00 2.55 C ATOM 1519 O LYS A 95 23.210 15.500 -9.093 1.00 70.01 O ATOM 1520 CB LYS A 95 26.199 15.223 -10.378 1.00 0.04 C ATOM 1521 CG LYS A 95 27.117 14.630 -9.323 1.00 42.14 C ATOM 1522 CD LYS A 95 28.497 14.334 -9.887 1.00 42.23 C ATOM 1523 CE LYS A 95 29.383 15.569 -9.870 1.00 63.43 C ATOM 1524 NZ LYS A 95 30.076 15.737 -8.562 1.00 73.22 N ATOM 0 H LYS A 95 25.122 14.487 -12.591 1.00 23.44 H new ATOM 0 HA LYS A 95 24.830 13.675 -9.785 1.00 51.14 H new ATOM 0 HB2 LYS A 95 26.709 15.208 -11.341 1.00 0.04 H new ATOM 0 HB3 LYS A 95 26.007 16.268 -10.135 1.00 0.04 H new ATOM 0 HG2 LYS A 95 27.206 15.323 -8.486 1.00 42.14 H new ATOM 0 HG3 LYS A 95 26.678 13.712 -8.932 1.00 42.14 H new ATOM 0 HD2 LYS A 95 28.966 13.540 -9.305 1.00 42.23 H new ATOM 0 HD3 LYS A 95 28.402 13.967 -10.909 1.00 42.23 H new ATOM 0 HE2 LYS A 95 30.124 15.496 -10.666 1.00 63.43 H new ATOM 0 HE3 LYS A 95 28.779 16.452 -10.077 1.00 63.43 H new ATOM 0 HZ1 LYS A 95 30.670 16.590 -8.591 1.00 73.22 H new ATOM 0 HZ2 LYS A 95 29.370 15.833 -7.805 1.00 73.22 H new ATOM 0 HZ3 LYS A 95 30.673 14.906 -8.376 1.00 73.22 H new ATOM 1538 N ASP A 96 23.300 16.196 -11.230 1.00 71.43 N ATOM 1539 CA ASP A 96 22.206 17.150 -11.081 1.00 13.24 C ATOM 1540 C ASP A 96 21.412 17.275 -12.378 1.00 14.22 C ATOM 1541 O ASP A 96 21.766 16.678 -13.396 1.00 11.15 O ATOM 1542 CB ASP A 96 22.748 18.519 -10.667 1.00 15.05 C ATOM 1543 CG ASP A 96 23.685 19.108 -11.703 1.00 33.14 C ATOM 1544 OD1 ASP A 96 23.189 19.668 -12.703 1.00 71.13 O ATOM 1545 OD2 ASP A 96 24.916 19.010 -11.514 1.00 32.12 O ATOM 0 H ASP A 96 23.706 16.163 -12.165 1.00 71.43 H new ATOM 0 HA ASP A 96 21.539 16.781 -10.302 1.00 13.24 H new ATOM 0 HB2 ASP A 96 21.915 19.203 -10.505 1.00 15.05 H new ATOM 0 HB3 ASP A 96 23.274 18.426 -9.717 1.00 15.05 H new ATOM 1550 N THR A 97 20.336 18.053 -12.334 1.00 42.32 N ATOM 1551 CA THR A 97 19.489 18.254 -13.504 1.00 15.25 C ATOM 1552 C THR A 97 20.279 18.867 -14.653 1.00 44.04 C ATOM 1553 O THR A 97 20.220 18.386 -15.785 1.00 31.44 O ATOM 1554 CB THR A 97 18.288 19.160 -13.178 1.00 45.14 C ATOM 1555 OG1 THR A 97 17.701 18.768 -11.933 1.00 11.10 O ATOM 1556 CG2 THR A 97 17.243 19.090 -14.282 1.00 40.23 C ATOM 0 H THR A 97 20.030 18.555 -11.501 1.00 42.32 H new ATOM 0 HA THR A 97 19.122 17.272 -13.803 1.00 15.25 H new ATOM 0 HB THR A 97 18.646 20.187 -13.102 1.00 45.14 H new ATOM 0 HG1 THR A 97 17.881 19.454 -11.256 1.00 11.10 H new ATOM 0 HG21 THR A 97 16.404 19.738 -14.030 1.00 40.23 H new ATOM 0 HG22 THR A 97 17.685 19.418 -15.223 1.00 40.23 H new ATOM 0 HG23 THR A 97 16.891 18.064 -14.385 1.00 40.23 H new ATOM 1564 N GLU A 98 21.017 19.932 -14.357 1.00 73.22 N ATOM 1565 CA GLU A 98 21.819 20.611 -15.368 1.00 33.22 C ATOM 1566 C GLU A 98 22.698 19.618 -16.123 1.00 72.43 C ATOM 1567 O GLU A 98 22.851 19.709 -17.341 1.00 1.12 O ATOM 1568 CB GLU A 98 22.690 21.690 -14.720 1.00 60.23 C ATOM 1569 CG GLU A 98 22.371 23.097 -15.199 1.00 31.34 C ATOM 1570 CD GLU A 98 23.231 23.523 -16.373 1.00 75.50 C ATOM 1571 OE1 GLU A 98 24.417 23.134 -16.413 1.00 13.23 O ATOM 1572 OE2 GLU A 98 22.717 24.246 -17.252 1.00 21.11 O ATOM 0 H GLU A 98 21.076 20.343 -13.425 1.00 73.22 H new ATOM 0 HA GLU A 98 21.139 21.081 -16.079 1.00 33.22 H new ATOM 0 HB2 GLU A 98 22.564 21.646 -13.638 1.00 60.23 H new ATOM 0 HB3 GLU A 98 23.738 21.473 -14.928 1.00 60.23 H new ATOM 0 HG2 GLU A 98 21.321 23.150 -15.485 1.00 31.34 H new ATOM 0 HG3 GLU A 98 22.513 23.798 -14.376 1.00 31.34 H new ATOM 1579 N GLY A 99 23.274 18.670 -15.391 1.00 3.13 N ATOM 1580 CA GLY A 99 24.131 17.674 -16.007 1.00 33.34 C ATOM 1581 C GLY A 99 23.346 16.625 -16.768 1.00 5.30 C ATOM 1582 O GLY A 99 23.777 16.160 -17.822 1.00 34.33 O ATOM 0 H GLY A 99 23.162 18.574 -14.382 1.00 3.13 H new ATOM 0 HA2 GLY A 99 24.826 18.167 -16.687 1.00 33.34 H new ATOM 0 HA3 GLY A 99 24.730 17.188 -15.237 1.00 33.34 H new ATOM 1586 N ALA A 100 22.190 16.249 -16.232 1.00 24.21 N ATOM 1587 CA ALA A 100 21.342 15.247 -16.868 1.00 23.30 C ATOM 1588 C ALA A 100 20.788 15.760 -18.194 1.00 15.35 C ATOM 1589 O ALA A 100 20.468 14.976 -19.087 1.00 62.35 O ATOM 1590 CB ALA A 100 20.205 14.851 -15.938 1.00 15.54 C ATOM 0 H ALA A 100 21.819 16.623 -15.359 1.00 24.21 H new ATOM 0 HA ALA A 100 21.952 14.367 -17.074 1.00 23.30 H new ATOM 0 HB1 ALA A 100 19.580 14.103 -16.425 1.00 15.54 H new ATOM 0 HB2 ALA A 100 20.616 14.437 -15.017 1.00 15.54 H new ATOM 0 HB3 ALA A 100 19.603 15.729 -15.704 1.00 15.54 H new ATOM 1596 N LYS A 101 20.678 17.078 -18.313 1.00 72.12 N ATOM 1597 CA LYS A 101 20.163 17.695 -19.531 1.00 32.44 C ATOM 1598 C LYS A 101 21.216 17.681 -20.634 1.00 53.04 C ATOM 1599 O LYS A 101 20.958 17.212 -21.743 1.00 45.13 O ATOM 1600 CB LYS A 101 19.722 19.133 -19.250 1.00 75.43 C ATOM 1601 CG LYS A 101 18.263 19.396 -19.576 1.00 20.44 C ATOM 1602 CD LYS A 101 17.871 20.831 -19.260 1.00 52.42 C ATOM 1603 CE LYS A 101 16.563 21.213 -19.938 1.00 33.35 C ATOM 1604 NZ LYS A 101 16.723 22.403 -20.817 1.00 63.13 N ATOM 0 H LYS A 101 20.938 17.740 -17.582 1.00 72.12 H new ATOM 0 HA LYS A 101 19.303 17.116 -19.867 1.00 32.44 H new ATOM 0 HB2 LYS A 101 19.897 19.359 -18.198 1.00 75.43 H new ATOM 0 HB3 LYS A 101 20.344 19.815 -19.830 1.00 75.43 H new ATOM 0 HG2 LYS A 101 18.083 19.193 -20.632 1.00 20.44 H new ATOM 0 HG3 LYS A 101 17.633 18.712 -19.007 1.00 20.44 H new ATOM 0 HD2 LYS A 101 17.772 20.953 -18.181 1.00 52.42 H new ATOM 0 HD3 LYS A 101 18.662 21.506 -19.586 1.00 52.42 H new ATOM 0 HE2 LYS A 101 16.200 20.371 -20.528 1.00 33.35 H new ATOM 0 HE3 LYS A 101 15.808 21.420 -19.180 1.00 33.35 H new ATOM 0 HZ1 LYS A 101 15.972 22.407 -21.536 1.00 63.13 H new ATOM 0 HZ2 LYS A 101 16.658 23.269 -20.244 1.00 63.13 H new ATOM 0 HZ3 LYS A 101 17.651 22.366 -21.285 1.00 63.13 H new ATOM 1618 N GLN A 102 22.401 18.195 -20.323 1.00 1.03 N ATOM 1619 CA GLN A 102 23.492 18.240 -21.290 1.00 43.40 C ATOM 1620 C GLN A 102 23.712 16.871 -21.926 1.00 64.13 C ATOM 1621 O GLN A 102 23.957 16.767 -23.128 1.00 75.42 O ATOM 1622 CB GLN A 102 24.780 18.715 -20.615 1.00 14.20 C ATOM 1623 CG GLN A 102 25.228 20.096 -21.064 1.00 70.52 C ATOM 1624 CD GLN A 102 26.728 20.187 -21.263 1.00 54.34 C ATOM 1625 OE1 GLN A 102 27.261 19.725 -22.274 1.00 62.31 O ATOM 1626 NE2 GLN A 102 27.418 20.783 -20.299 1.00 70.41 N ATOM 0 H GLN A 102 22.631 18.586 -19.409 1.00 1.03 H new ATOM 0 HA GLN A 102 23.220 18.946 -22.075 1.00 43.40 H new ATOM 0 HB2 GLN A 102 24.633 18.723 -19.535 1.00 14.20 H new ATOM 0 HB3 GLN A 102 25.575 17.999 -20.823 1.00 14.20 H new ATOM 0 HG2 GLN A 102 24.725 20.351 -21.997 1.00 70.52 H new ATOM 0 HG3 GLN A 102 24.918 20.833 -20.323 1.00 70.52 H new ATOM 0 HE21 GLN A 102 26.935 21.151 -19.479 1.00 70.41 H new ATOM 0 HE22 GLN A 102 28.431 20.873 -20.378 1.00 70.41 H new ATOM 1635 N ILE A 103 23.622 15.825 -21.112 1.00 1.41 N ATOM 1636 CA ILE A 103 23.811 14.463 -21.597 1.00 1.23 C ATOM 1637 C ILE A 103 22.803 14.123 -22.689 1.00 42.14 C ATOM 1638 O ILE A 103 23.126 13.428 -23.653 1.00 71.44 O ATOM 1639 CB ILE A 103 23.678 13.436 -20.456 1.00 23.31 C ATOM 1640 CG1 ILE A 103 24.827 13.599 -19.458 1.00 0.05 C ATOM 1641 CG2 ILE A 103 23.653 12.022 -21.017 1.00 12.33 C ATOM 1642 CD1 ILE A 103 24.684 12.734 -18.226 1.00 72.51 C ATOM 0 H ILE A 103 23.420 15.894 -20.115 1.00 1.41 H new ATOM 0 HA ILE A 103 24.820 14.412 -22.007 1.00 1.23 H new ATOM 0 HB ILE A 103 22.739 13.615 -19.933 1.00 23.31 H new ATOM 0 HG12 ILE A 103 25.766 13.357 -19.955 1.00 0.05 H new ATOM 0 HG13 ILE A 103 24.888 14.644 -19.153 1.00 0.05 H new ATOM 0 HG21 ILE A 103 23.559 11.308 -20.199 1.00 12.33 H new ATOM 0 HG22 ILE A 103 22.805 11.914 -21.693 1.00 12.33 H new ATOM 0 HG23 ILE A 103 24.578 11.830 -21.561 1.00 12.33 H new ATOM 0 HD11 ILE A 103 25.533 12.901 -17.563 1.00 72.51 H new ATOM 0 HD12 ILE A 103 23.762 12.992 -17.706 1.00 72.51 H new ATOM 0 HD13 ILE A 103 24.654 11.685 -18.520 1.00 72.51 H new ATOM 1654 N VAL A 104 21.580 14.620 -22.535 1.00 42.01 N ATOM 1655 CA VAL A 104 20.525 14.373 -23.510 1.00 4.01 C ATOM 1656 C VAL A 104 20.807 15.099 -24.821 1.00 50.32 C ATOM 1657 O VAL A 104 20.965 14.471 -25.868 1.00 53.12 O ATOM 1658 CB VAL A 104 19.151 14.818 -22.976 1.00 0.14 C ATOM 1659 CG1 VAL A 104 18.077 14.622 -24.035 1.00 41.40 C ATOM 1660 CG2 VAL A 104 18.802 14.057 -21.705 1.00 35.55 C ATOM 0 H VAL A 104 21.295 15.197 -21.743 1.00 42.01 H new ATOM 0 HA VAL A 104 20.506 13.298 -23.689 1.00 4.01 H new ATOM 0 HB VAL A 104 19.201 15.880 -22.735 1.00 0.14 H new ATOM 0 HG11 VAL A 104 17.113 14.942 -23.639 1.00 41.40 H new ATOM 0 HG12 VAL A 104 18.322 15.215 -24.916 1.00 41.40 H new ATOM 0 HG13 VAL A 104 18.025 13.568 -24.310 1.00 41.40 H new ATOM 0 HG21 VAL A 104 17.828 14.384 -21.341 1.00 35.55 H new ATOM 0 HG22 VAL A 104 18.770 12.988 -21.918 1.00 35.55 H new ATOM 0 HG23 VAL A 104 19.558 14.253 -20.944 1.00 35.55 H new ATOM 1670 N ARG A 105 20.869 16.424 -24.755 1.00 64.24 N ATOM 1671 CA ARG A 105 21.131 17.237 -25.937 1.00 75.21 C ATOM 1672 C ARG A 105 22.384 16.753 -26.663 1.00 15.23 C ATOM 1673 O ARG A 105 22.409 16.669 -27.890 1.00 12.01 O ATOM 1674 CB ARG A 105 21.292 18.707 -25.547 1.00 45.11 C ATOM 1675 CG ARG A 105 21.353 19.650 -26.737 1.00 53.04 C ATOM 1676 CD ARG A 105 21.498 21.098 -26.294 1.00 55.12 C ATOM 1677 NE ARG A 105 21.964 21.958 -27.379 1.00 43.43 N ATOM 1678 CZ ARG A 105 22.526 23.146 -27.186 1.00 55.31 C ATOM 1679 NH1 ARG A 105 22.694 23.610 -25.956 1.00 22.52 N ATOM 1680 NH2 ARG A 105 22.923 23.870 -28.225 1.00 13.23 N ATOM 0 H ARG A 105 20.741 16.958 -23.896 1.00 64.24 H new ATOM 0 HA ARG A 105 20.280 17.138 -26.610 1.00 75.21 H new ATOM 0 HB2 ARG A 105 20.459 18.997 -24.907 1.00 45.11 H new ATOM 0 HB3 ARG A 105 22.202 18.820 -24.958 1.00 45.11 H new ATOM 0 HG2 ARG A 105 22.193 19.378 -27.375 1.00 53.04 H new ATOM 0 HG3 ARG A 105 20.449 19.540 -27.336 1.00 53.04 H new ATOM 0 HD2 ARG A 105 20.538 21.463 -25.929 1.00 55.12 H new ATOM 0 HD3 ARG A 105 22.198 21.154 -25.461 1.00 55.12 H new ATOM 0 HE ARG A 105 21.852 21.628 -28.338 1.00 43.43 H new ATOM 0 HH11 ARG A 105 22.392 23.055 -25.156 1.00 22.52 H new ATOM 0 HH12 ARG A 105 23.126 24.522 -25.810 1.00 22.52 H new ATOM 0 HH21 ARG A 105 22.797 23.514 -29.173 1.00 13.23 H new ATOM 0 HH22 ARG A 105 23.354 24.782 -28.076 1.00 13.23 H new ATOM 1694 N ARG A 106 23.421 16.436 -25.894 1.00 72.30 N ATOM 1695 CA ARG A 106 24.678 15.962 -26.462 1.00 45.14 C ATOM 1696 C ARG A 106 24.434 14.812 -27.435 1.00 12.41 C ATOM 1697 O ARG A 106 25.030 14.757 -28.511 1.00 63.22 O ATOM 1698 CB ARG A 106 25.627 15.513 -25.351 1.00 71.43 C ATOM 1699 CG ARG A 106 26.980 15.042 -25.861 1.00 30.24 C ATOM 1700 CD ARG A 106 27.987 16.181 -25.900 1.00 13.14 C ATOM 1701 NE ARG A 106 29.364 15.697 -25.834 1.00 1.43 N ATOM 1702 CZ ARG A 106 30.414 16.411 -26.223 1.00 52.34 C ATOM 1703 NH1 ARG A 106 30.246 17.635 -26.705 1.00 3.52 N ATOM 1704 NH2 ARG A 106 31.636 15.901 -26.132 1.00 41.40 N ATOM 0 H ARG A 106 23.416 16.499 -24.876 1.00 72.30 H new ATOM 0 HA ARG A 106 25.136 16.787 -27.008 1.00 45.14 H new ATOM 0 HB2 ARG A 106 25.777 16.340 -24.657 1.00 71.43 H new ATOM 0 HB3 ARG A 106 25.159 14.705 -24.789 1.00 71.43 H new ATOM 0 HG2 ARG A 106 27.355 14.245 -25.219 1.00 30.24 H new ATOM 0 HG3 ARG A 106 26.867 14.620 -26.860 1.00 30.24 H new ATOM 0 HD2 ARG A 106 27.848 16.756 -26.815 1.00 13.14 H new ATOM 0 HD3 ARG A 106 27.801 16.858 -25.067 1.00 13.14 H new ATOM 0 HE ARG A 106 29.528 14.759 -25.469 1.00 1.43 H new ATOM 0 HH11 ARG A 106 29.309 18.030 -26.778 1.00 3.52 H new ATOM 0 HH12 ARG A 106 31.054 18.181 -27.003 1.00 3.52 H new ATOM 0 HH21 ARG A 106 31.770 14.960 -25.763 1.00 41.40 H new ATOM 0 HH22 ARG A 106 32.442 16.451 -26.431 1.00 41.40 H new ATOM 1718 N HIS A 107 23.554 13.892 -27.048 1.00 20.53 N ATOM 1719 CA HIS A 107 23.232 12.742 -27.885 1.00 10.44 C ATOM 1720 C HIS A 107 22.315 13.148 -29.035 1.00 4.42 C ATOM 1721 O HIS A 107 22.353 12.465 -30.059 1.00 14.12 O ATOM 1722 CB HIS A 107 22.566 11.647 -27.050 1.00 23.23 C ATOM 1723 CG HIS A 107 23.530 10.868 -26.207 1.00 4.21 C ATOM 1724 ND1 HIS A 107 24.720 10.367 -26.691 1.00 44.25 N ATOM 1725 CD2 HIS A 107 23.474 10.505 -24.904 1.00 25.01 C ATOM 1726 CE1 HIS A 107 25.352 9.730 -25.724 1.00 13.33 C ATOM 1727 NE2 HIS A 107 24.617 9.800 -24.628 1.00 35.34 N ATOM 0 H HIS A 107 23.052 13.921 -26.161 1.00 20.53 H new ATOM 0 HA HIS A 107 24.162 12.356 -28.302 1.00 10.44 H new ATOM 0 HB2 HIS A 107 21.815 12.100 -26.404 1.00 23.23 H new ATOM 0 HB3 HIS A 107 22.042 10.962 -27.716 1.00 23.23 H new ATOM 0 HD2 HIS A 107 22.677 10.729 -24.211 1.00 25.01 H new ATOM 0 HE1 HIS A 107 26.308 9.235 -25.813 1.00 13.33 H new ATOM 0 HE2 HIS A 107 24.860 9.395 -23.724 1.00 35.34 H new ATOM 1735 N LEU A 108 21.520 14.204 -28.901 1.00 12.23 N ATOM 1736 CA LEU A 108 20.627 14.630 -29.972 1.00 23.12 C ATOM 1737 C LEU A 108 21.384 15.428 -31.028 1.00 71.41 C ATOM 1738 O LEU A 108 21.013 15.434 -32.202 1.00 23.23 O ATOM 1739 CB LEU A 108 19.483 15.473 -29.404 1.00 51.11 C ATOM 1740 CG LEU A 108 18.482 14.733 -28.515 1.00 21.12 C ATOM 1741 CD1 LEU A 108 17.832 15.692 -27.530 1.00 63.54 C ATOM 1742 CD2 LEU A 108 17.426 14.039 -29.363 1.00 64.34 C ATOM 0 H LEU A 108 21.476 14.781 -28.061 1.00 12.23 H new ATOM 0 HA LEU A 108 20.215 13.738 -30.443 1.00 23.12 H new ATOM 0 HB2 LEU A 108 19.913 16.293 -28.828 1.00 51.11 H new ATOM 0 HB3 LEU A 108 18.939 15.919 -30.236 1.00 51.11 H new ATOM 0 HG LEU A 108 19.021 13.973 -27.949 1.00 21.12 H new ATOM 0 HD11 LEU A 108 17.123 15.148 -26.906 1.00 63.54 H new ATOM 0 HD12 LEU A 108 18.599 16.142 -26.900 1.00 63.54 H new ATOM 0 HD13 LEU A 108 17.307 16.475 -28.077 1.00 63.54 H new ATOM 0 HD21 LEU A 108 16.723 13.518 -28.714 1.00 64.34 H new ATOM 0 HD22 LEU A 108 16.891 14.780 -29.956 1.00 64.34 H new ATOM 0 HD23 LEU A 108 17.907 13.321 -30.027 1.00 64.34 H new