USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=17 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= 1.18 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.59 K(o=2.8,f=-6.1!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Set 3.1: A 29 TYR OH : rot -6:sc= 0.753 USER MOD Set 3.2: A 97 THR OG1 : rot 112:sc= 1.04 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0406) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.179 (180deg=-0.794) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-8.1!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.745 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0591 (180deg=-0.373) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.615 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) 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 -63:sc= 0.796 USER MOD Single : A 72 SER OG : rot 180:sc= 0 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= -0.0677 K(o=-0.068,f=-0.58) USER MOD Single : A 81 THR OG1 : rot 73:sc= 1.03 USER MOD Single : A 83 CYS SG : rot -130:sc= -1.26 USER MOD Single : A 87 CYS SG : rot 150:sc= -0.327 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+ 177:sc= 0 (180deg=-0.026) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.461 K(o=0.46,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.423 3.201 -13.114 1.00 23.41 N ATOM 68 CA VAL A 7 8.420 3.905 -13.910 1.00 42.30 C ATOM 69 C VAL A 7 9.833 3.535 -13.475 1.00 24.41 C ATOM 70 O VAL A 7 10.650 3.095 -14.285 1.00 75.14 O ATOM 71 CB VAL A 7 8.246 5.432 -13.804 1.00 5.23 C ATOM 72 CG1 VAL A 7 9.314 6.149 -14.615 1.00 51.34 C ATOM 73 CG2 VAL A 7 6.854 5.843 -14.259 1.00 35.11 C ATOM 0 HA VAL A 7 8.271 3.600 -14.946 1.00 42.30 H new ATOM 0 HB VAL A 7 8.362 5.721 -12.759 1.00 5.23 H new ATOM 0 HG11 VAL A 7 9.175 7.227 -14.528 1.00 51.34 H new ATOM 0 HG12 VAL A 7 10.300 5.879 -14.237 1.00 51.34 H new ATOM 0 HG13 VAL A 7 9.234 5.856 -15.662 1.00 51.34 H new ATOM 0 HG21 VAL A 7 6.749 6.925 -14.177 1.00 35.11 H new ATOM 0 HG22 VAL A 7 6.706 5.541 -15.296 1.00 35.11 H new ATOM 0 HG23 VAL A 7 6.108 5.358 -13.630 1.00 35.11 H new ATOM 83 N LEU A 8 10.117 3.714 -12.189 1.00 51.13 N ATOM 84 CA LEU A 8 11.433 3.398 -11.645 1.00 3.44 C ATOM 85 C LEU A 8 11.354 2.217 -10.683 1.00 20.24 C ATOM 86 O LEU A 8 10.490 2.173 -9.807 1.00 72.34 O ATOM 87 CB LEU A 8 12.015 4.617 -10.927 1.00 24.23 C ATOM 88 CG LEU A 8 12.288 5.842 -11.799 1.00 43.41 C ATOM 89 CD1 LEU A 8 12.793 7.000 -10.951 1.00 74.41 C ATOM 90 CD2 LEU A 8 13.287 5.506 -12.895 1.00 62.35 C ATOM 0 H LEU A 8 9.454 4.076 -11.504 1.00 51.13 H new ATOM 0 HA LEU A 8 12.087 3.125 -12.474 1.00 3.44 H new ATOM 0 HB2 LEU A 8 11.328 4.908 -10.132 1.00 24.23 H new ATOM 0 HB3 LEU A 8 12.949 4.321 -10.449 1.00 24.23 H new ATOM 0 HG LEU A 8 11.352 6.144 -12.269 1.00 43.41 H new ATOM 0 HD11 LEU A 8 12.982 7.863 -11.589 1.00 74.41 H new ATOM 0 HD12 LEU A 8 12.042 7.258 -10.204 1.00 74.41 H new ATOM 0 HD13 LEU A 8 13.717 6.709 -10.451 1.00 74.41 H new ATOM 0 HD21 LEU A 8 13.469 6.391 -13.505 1.00 62.35 H new ATOM 0 HD22 LEU A 8 14.224 5.177 -12.445 1.00 62.35 H new ATOM 0 HD23 LEU A 8 12.886 4.709 -13.521 1.00 62.35 H new ATOM 102 N ARG A 9 12.264 1.262 -10.851 1.00 2.12 N ATOM 103 CA ARG A 9 12.298 0.081 -9.997 1.00 24.44 C ATOM 104 C ARG A 9 13.058 0.366 -8.704 1.00 64.24 C ATOM 105 O ARG A 9 13.390 1.513 -8.408 1.00 25.23 O ATOM 106 CB ARG A 9 12.949 -1.089 -10.736 1.00 70.32 C ATOM 107 CG ARG A 9 14.418 -0.866 -11.057 1.00 21.54 C ATOM 108 CD ARG A 9 14.971 -1.977 -11.937 1.00 53.52 C ATOM 109 NE ARG A 9 15.646 -3.010 -11.157 1.00 42.04 N ATOM 110 CZ ARG A 9 16.255 -4.059 -11.699 1.00 30.13 C ATOM 111 NH1 ARG A 9 16.271 -4.213 -13.016 1.00 3.04 N ATOM 112 NH2 ARG A 9 16.849 -4.957 -10.922 1.00 55.44 N ATOM 0 H ARG A 9 12.987 1.284 -11.570 1.00 2.12 H new ATOM 0 HA ARG A 9 11.271 -0.183 -9.744 1.00 24.44 H new ATOM 0 HB2 ARG A 9 12.851 -1.990 -10.130 1.00 70.32 H new ATOM 0 HB3 ARG A 9 12.406 -1.268 -11.664 1.00 70.32 H new ATOM 0 HG2 ARG A 9 14.540 0.093 -11.560 1.00 21.54 H new ATOM 0 HG3 ARG A 9 14.990 -0.815 -10.131 1.00 21.54 H new ATOM 0 HD2 ARG A 9 14.158 -2.427 -12.507 1.00 53.52 H new ATOM 0 HD3 ARG A 9 15.670 -1.554 -12.659 1.00 53.52 H new ATOM 0 HE ARG A 9 15.650 -2.922 -10.141 1.00 42.04 H new ATOM 0 HH11 ARG A 9 15.815 -3.525 -13.615 1.00 3.04 H new ATOM 0 HH12 ARG A 9 16.739 -5.019 -13.430 1.00 3.04 H new ATOM 0 HH21 ARG A 9 16.838 -4.842 -9.909 1.00 55.44 H new ATOM 0 HH22 ARG A 9 17.316 -5.762 -11.339 1.00 55.44 H new ATOM 126 N GLY A 10 13.329 -0.686 -7.939 1.00 75.42 N ATOM 127 CA GLY A 10 14.046 -0.529 -6.687 1.00 4.21 C ATOM 128 C GLY A 10 15.416 0.093 -6.879 1.00 2.31 C ATOM 129 O GLY A 10 15.789 1.024 -6.165 1.00 23.41 O ATOM 0 H GLY A 10 13.065 -1.645 -8.164 1.00 75.42 H new ATOM 0 HA2 GLY A 10 13.459 0.093 -6.011 1.00 4.21 H new ATOM 0 HA3 GLY A 10 14.156 -1.503 -6.210 1.00 4.21 H new ATOM 133 N LYS A 11 16.169 -0.423 -7.845 1.00 10.44 N ATOM 134 CA LYS A 11 17.505 0.086 -8.128 1.00 43.24 C ATOM 135 C LYS A 11 17.438 1.494 -8.712 1.00 14.01 C ATOM 136 O LYS A 11 18.176 2.386 -8.295 1.00 4.43 O ATOM 137 CB LYS A 11 18.233 -0.846 -9.100 1.00 15.14 C ATOM 138 CG LYS A 11 19.539 -1.394 -8.552 1.00 21.41 C ATOM 139 CD LYS A 11 19.466 -2.897 -8.335 1.00 42.55 C ATOM 140 CE LYS A 11 20.496 -3.363 -7.318 1.00 35.43 C ATOM 141 NZ LYS A 11 21.866 -3.419 -7.900 1.00 54.33 N ATOM 0 H LYS A 11 15.876 -1.194 -8.445 1.00 10.44 H new ATOM 0 HA LYS A 11 18.058 0.126 -7.189 1.00 43.24 H new ATOM 0 HB2 LYS A 11 17.577 -1.679 -9.353 1.00 15.14 H new ATOM 0 HB3 LYS A 11 18.435 -0.307 -10.026 1.00 15.14 H new ATOM 0 HG2 LYS A 11 20.350 -1.164 -9.243 1.00 21.41 H new ATOM 0 HG3 LYS A 11 19.775 -0.900 -7.609 1.00 21.41 H new ATOM 0 HD2 LYS A 11 18.467 -3.168 -7.994 1.00 42.55 H new ATOM 0 HD3 LYS A 11 19.630 -3.411 -9.282 1.00 42.55 H new ATOM 0 HE2 LYS A 11 20.492 -2.688 -6.462 1.00 35.43 H new ATOM 0 HE3 LYS A 11 20.219 -4.350 -6.947 1.00 35.43 H new ATOM 0 HZ1 LYS A 11 22.538 -3.741 -7.175 1.00 54.33 H new ATOM 0 HZ2 LYS A 11 21.876 -4.083 -8.701 1.00 54.33 H new ATOM 0 HZ3 LYS A 11 22.141 -2.472 -8.231 1.00 54.33 H new ATOM 155 N LYS A 12 16.547 1.686 -9.680 1.00 5.11 N ATOM 156 CA LYS A 12 16.381 2.985 -10.320 1.00 4.45 C ATOM 157 C LYS A 12 15.947 4.040 -9.306 1.00 43.41 C ATOM 158 O LYS A 12 16.331 5.205 -9.404 1.00 65.44 O ATOM 159 CB LYS A 12 15.352 2.893 -11.449 1.00 5.25 C ATOM 160 CG LYS A 12 15.826 2.077 -12.638 1.00 51.35 C ATOM 161 CD LYS A 12 14.749 1.969 -13.704 1.00 34.41 C ATOM 162 CE LYS A 12 15.259 1.244 -14.940 1.00 63.42 C ATOM 163 NZ LYS A 12 14.342 1.414 -16.101 1.00 43.24 N ATOM 0 H LYS A 12 15.929 0.958 -10.038 1.00 5.11 H new ATOM 0 HA LYS A 12 17.343 3.282 -10.737 1.00 4.45 H new ATOM 0 HB2 LYS A 12 14.435 2.452 -11.058 1.00 5.25 H new ATOM 0 HB3 LYS A 12 15.103 3.899 -11.786 1.00 5.25 H new ATOM 0 HG2 LYS A 12 16.717 2.538 -13.065 1.00 51.35 H new ATOM 0 HG3 LYS A 12 16.111 1.079 -12.305 1.00 51.35 H new ATOM 0 HD2 LYS A 12 13.887 1.438 -13.299 1.00 34.41 H new ATOM 0 HD3 LYS A 12 14.408 2.967 -13.981 1.00 34.41 H new ATOM 0 HE2 LYS A 12 16.248 1.621 -15.200 1.00 63.42 H new ATOM 0 HE3 LYS A 12 15.371 0.183 -14.718 1.00 63.42 H new ATOM 0 HZ1 LYS A 12 14.733 0.919 -16.928 1.00 43.24 H new ATOM 0 HZ2 LYS A 12 13.410 1.016 -15.868 1.00 43.24 H new ATOM 0 HZ3 LYS A 12 14.241 2.426 -16.319 1.00 43.24 H new ATOM 177 N ALA A 13 15.145 3.623 -8.333 1.00 23.45 N ATOM 178 CA ALA A 13 14.662 4.530 -7.299 1.00 70.05 C ATOM 179 C ALA A 13 15.818 5.261 -6.626 1.00 22.14 C ATOM 180 O ALA A 13 15.735 6.459 -6.355 1.00 33.04 O ATOM 181 CB ALA A 13 13.845 3.768 -6.267 1.00 13.10 C ATOM 0 H ALA A 13 14.816 2.662 -8.239 1.00 23.45 H new ATOM 0 HA ALA A 13 14.023 5.274 -7.774 1.00 70.05 H new ATOM 0 HB1 ALA A 13 13.491 4.458 -5.501 1.00 13.10 H new ATOM 0 HB2 ALA A 13 12.991 3.298 -6.754 1.00 13.10 H new ATOM 0 HB3 ALA A 13 14.467 3.001 -5.805 1.00 13.10 H new ATOM 187 N ASP A 14 16.896 4.532 -6.357 1.00 21.00 N ATOM 188 CA ASP A 14 18.071 5.112 -5.715 1.00 13.21 C ATOM 189 C ASP A 14 18.595 6.302 -6.512 1.00 53.40 C ATOM 190 O ASP A 14 18.809 7.382 -5.963 1.00 63.44 O ATOM 191 CB ASP A 14 19.170 4.058 -5.568 1.00 32.14 C ATOM 192 CG ASP A 14 19.835 4.102 -4.206 1.00 21.10 C ATOM 193 OD1 ASP A 14 19.137 3.870 -3.197 1.00 53.23 O ATOM 194 OD2 ASP A 14 21.053 4.369 -4.149 1.00 4.14 O ATOM 0 H ASP A 14 16.981 3.539 -6.573 1.00 21.00 H new ATOM 0 HA ASP A 14 17.778 5.462 -4.725 1.00 13.21 H new ATOM 0 HB2 ASP A 14 18.744 3.068 -5.729 1.00 32.14 H new ATOM 0 HB3 ASP A 14 19.922 4.211 -6.342 1.00 32.14 H new ATOM 199 N GLU A 15 18.797 6.096 -7.810 1.00 54.41 N ATOM 200 CA GLU A 15 19.298 7.152 -8.682 1.00 54.30 C ATOM 201 C GLU A 15 18.414 8.394 -8.593 1.00 74.44 C ATOM 202 O GLU A 15 18.906 9.508 -8.410 1.00 21.50 O ATOM 203 CB GLU A 15 19.363 6.661 -10.130 1.00 13.02 C ATOM 204 CG GLU A 15 20.777 6.572 -10.677 1.00 52.14 C ATOM 205 CD GLU A 15 21.564 5.424 -10.077 1.00 24.32 C ATOM 206 OE1 GLU A 15 21.101 4.269 -10.180 1.00 13.24 O ATOM 207 OE2 GLU A 15 22.644 5.680 -9.503 1.00 13.22 O ATOM 0 H GLU A 15 18.621 5.208 -8.280 1.00 54.41 H new ATOM 0 HA GLU A 15 20.302 7.416 -8.351 1.00 54.30 H new ATOM 0 HB2 GLU A 15 18.895 5.679 -10.193 1.00 13.02 H new ATOM 0 HB3 GLU A 15 18.780 7.333 -10.760 1.00 13.02 H new ATOM 0 HG2 GLU A 15 20.737 6.453 -11.760 1.00 52.14 H new ATOM 0 HG3 GLU A 15 21.299 7.508 -10.478 1.00 52.14 H new ATOM 214 N LEU A 16 17.107 8.194 -8.728 1.00 20.51 N ATOM 215 CA LEU A 16 16.154 9.296 -8.664 1.00 75.14 C ATOM 216 C LEU A 16 16.343 10.107 -7.386 1.00 70.21 C ATOM 217 O LEU A 16 16.500 11.326 -7.432 1.00 24.12 O ATOM 218 CB LEU A 16 14.722 8.762 -8.737 1.00 65.04 C ATOM 219 CG LEU A 16 13.640 9.789 -9.072 1.00 4.52 C ATOM 220 CD1 LEU A 16 13.375 10.695 -7.880 1.00 33.14 C ATOM 221 CD2 LEU A 16 14.042 10.611 -10.288 1.00 53.10 C ATOM 0 H LEU A 16 16.684 7.279 -8.882 1.00 20.51 H new ATOM 0 HA LEU A 16 16.335 9.951 -9.517 1.00 75.14 H new ATOM 0 HB2 LEU A 16 14.688 7.971 -9.486 1.00 65.04 H new ATOM 0 HB3 LEU A 16 14.477 8.305 -7.779 1.00 65.04 H new ATOM 0 HG LEU A 16 12.720 9.254 -9.307 1.00 4.52 H new ATOM 0 HD11 LEU A 16 12.602 11.419 -8.138 1.00 33.14 H new ATOM 0 HD12 LEU A 16 13.042 10.095 -7.034 1.00 33.14 H new ATOM 0 HD13 LEU A 16 14.291 11.222 -7.613 1.00 33.14 H new ATOM 0 HD21 LEU A 16 13.260 11.337 -10.511 1.00 53.10 H new ATOM 0 HD22 LEU A 16 14.975 11.135 -10.081 1.00 53.10 H new ATOM 0 HD23 LEU A 16 14.180 9.951 -11.144 1.00 53.10 H new ATOM 233 N GLU A 17 16.328 9.420 -6.249 1.00 32.54 N ATOM 234 CA GLU A 17 16.499 10.076 -4.958 1.00 12.12 C ATOM 235 C GLU A 17 17.899 10.672 -4.831 1.00 41.42 C ATOM 236 O GLU A 17 18.150 11.515 -3.971 1.00 61.02 O ATOM 237 CB GLU A 17 16.250 9.085 -3.819 1.00 0.15 C ATOM 238 CG GLU A 17 14.823 9.103 -3.296 1.00 43.32 C ATOM 239 CD GLU A 17 14.756 9.266 -1.790 1.00 42.21 C ATOM 240 OE1 GLU A 17 14.800 10.420 -1.315 1.00 22.32 O ATOM 241 OE2 GLU A 17 14.659 8.239 -1.087 1.00 72.43 O ATOM 0 H GLU A 17 16.199 8.410 -6.195 1.00 32.54 H new ATOM 0 HA GLU A 17 15.771 10.884 -4.892 1.00 12.12 H new ATOM 0 HB2 GLU A 17 16.488 8.079 -4.165 1.00 0.15 H new ATOM 0 HB3 GLU A 17 16.931 9.309 -2.998 1.00 0.15 H new ATOM 0 HG2 GLU A 17 14.276 9.918 -3.771 1.00 43.32 H new ATOM 0 HG3 GLU A 17 14.324 8.176 -3.580 1.00 43.32 H new ATOM 248 N ARG A 18 18.804 10.227 -5.696 1.00 62.51 N ATOM 249 CA ARG A 18 20.179 10.713 -5.681 1.00 2.14 C ATOM 250 C ARG A 18 20.311 11.992 -6.502 1.00 44.11 C ATOM 251 O ARG A 18 21.026 12.917 -6.117 1.00 4.44 O ATOM 252 CB ARG A 18 21.127 9.644 -6.225 1.00 31.32 C ATOM 253 CG ARG A 18 22.593 10.043 -6.169 1.00 1.11 C ATOM 254 CD ARG A 18 23.491 8.948 -6.723 1.00 2.32 C ATOM 255 NE ARG A 18 24.710 8.789 -5.935 1.00 50.45 N ATOM 256 CZ ARG A 18 25.775 8.116 -6.356 1.00 34.14 C ATOM 257 NH1 ARG A 18 25.770 7.542 -7.551 1.00 63.12 N ATOM 258 NH2 ARG A 18 26.847 8.016 -5.582 1.00 23.25 N ATOM 0 H ARG A 18 18.610 9.531 -6.416 1.00 62.51 H new ATOM 0 HA ARG A 18 20.449 10.935 -4.648 1.00 2.14 H new ATOM 0 HB2 ARG A 18 20.988 8.724 -5.657 1.00 31.32 H new ATOM 0 HB3 ARG A 18 20.858 9.424 -7.258 1.00 31.32 H new ATOM 0 HG2 ARG A 18 22.743 10.961 -6.738 1.00 1.11 H new ATOM 0 HG3 ARG A 18 22.873 10.258 -5.138 1.00 1.11 H new ATOM 0 HD2 ARG A 18 22.945 8.005 -6.740 1.00 2.32 H new ATOM 0 HD3 ARG A 18 23.754 9.182 -7.754 1.00 2.32 H new ATOM 0 HE ARG A 18 24.746 9.218 -5.010 1.00 50.45 H new ATOM 0 HH11 ARG A 18 24.947 7.617 -8.149 1.00 63.12 H new ATOM 0 HH12 ARG A 18 26.589 7.026 -7.872 1.00 63.12 H new ATOM 0 HH21 ARG A 18 26.855 8.456 -4.662 1.00 23.25 H new ATOM 0 HH22 ARG A 18 27.664 7.499 -5.907 1.00 23.25 H new ATOM 272 N ILE A 19 19.619 12.035 -7.635 1.00 44.43 N ATOM 273 CA ILE A 19 19.659 13.201 -8.510 1.00 62.44 C ATOM 274 C ILE A 19 19.265 14.467 -7.758 1.00 63.34 C ATOM 275 O ILE A 19 18.221 14.516 -7.109 1.00 23.50 O ATOM 276 CB ILE A 19 18.727 13.026 -9.724 1.00 35.12 C ATOM 277 CG1 ILE A 19 19.144 11.803 -10.543 1.00 51.15 C ATOM 278 CG2 ILE A 19 18.740 14.279 -10.587 1.00 23.54 C ATOM 279 CD1 ILE A 19 17.983 11.096 -11.206 1.00 35.53 C ATOM 0 H ILE A 19 19.024 11.277 -7.969 1.00 44.43 H new ATOM 0 HA ILE A 19 20.686 13.296 -8.862 1.00 62.44 H new ATOM 0 HB ILE A 19 17.711 12.868 -9.363 1.00 35.12 H new ATOM 0 HG12 ILE A 19 19.855 12.114 -11.309 1.00 51.15 H new ATOM 0 HG13 ILE A 19 19.663 11.100 -9.892 1.00 51.15 H new ATOM 0 HG21 ILE A 19 18.077 14.140 -11.441 1.00 23.54 H new ATOM 0 HG22 ILE A 19 18.399 15.130 -9.998 1.00 23.54 H new ATOM 0 HG23 ILE A 19 19.754 14.466 -10.942 1.00 23.54 H new ATOM 0 HD11 ILE A 19 18.353 10.239 -11.769 1.00 35.53 H new ATOM 0 HD12 ILE A 19 17.282 10.755 -10.444 1.00 35.53 H new ATOM 0 HD13 ILE A 19 17.477 11.784 -11.883 1.00 35.53 H new ATOM 291 N ARG A 20 20.108 15.491 -7.853 1.00 53.41 N ATOM 292 CA ARG A 20 19.847 16.759 -7.182 1.00 10.14 C ATOM 293 C ARG A 20 18.928 17.640 -8.023 1.00 43.25 C ATOM 294 O ARG A 20 19.125 17.786 -9.230 1.00 12.42 O ATOM 295 CB ARG A 20 21.160 17.492 -6.903 1.00 23.21 C ATOM 296 CG ARG A 20 21.936 16.925 -5.725 1.00 12.22 C ATOM 297 CD ARG A 20 23.030 17.877 -5.268 1.00 52.42 C ATOM 298 NE ARG A 20 24.041 18.086 -6.302 1.00 12.21 N ATOM 299 CZ ARG A 20 25.212 18.669 -6.076 1.00 45.24 C ATOM 300 NH1 ARG A 20 25.520 19.099 -4.861 1.00 14.51 N ATOM 301 NH2 ARG A 20 26.080 18.823 -7.069 1.00 11.32 N ATOM 0 H ARG A 20 20.976 15.467 -8.388 1.00 53.41 H new ATOM 0 HA ARG A 20 19.350 16.545 -6.236 1.00 10.14 H new ATOM 0 HB2 ARG A 20 21.786 17.450 -7.794 1.00 23.21 H new ATOM 0 HB3 ARG A 20 20.946 18.544 -6.714 1.00 23.21 H new ATOM 0 HG2 ARG A 20 21.253 16.730 -4.898 1.00 12.22 H new ATOM 0 HG3 ARG A 20 22.378 15.969 -6.005 1.00 12.22 H new ATOM 0 HD2 ARG A 20 22.587 18.835 -4.996 1.00 52.42 H new ATOM 0 HD3 ARG A 20 23.505 17.479 -4.371 1.00 52.42 H new ATOM 0 HE ARG A 20 23.836 17.767 -7.249 1.00 12.21 H new ATOM 0 HH11 ARG A 20 24.856 18.983 -4.095 1.00 14.51 H new ATOM 0 HH12 ARG A 20 26.421 19.546 -4.691 1.00 14.51 H new ATOM 0 HH21 ARG A 20 25.847 18.493 -8.006 1.00 11.32 H new ATOM 0 HH22 ARG A 20 26.980 19.271 -6.895 1.00 11.32 H new ATOM 315 N LEU A 21 17.925 18.225 -7.378 1.00 42.20 N ATOM 316 CA LEU A 21 16.975 19.093 -8.067 1.00 31.43 C ATOM 317 C LEU A 21 17.685 20.287 -8.696 1.00 22.40 C ATOM 318 O LEU A 21 17.359 20.700 -9.808 1.00 61.24 O ATOM 319 CB LEU A 21 15.900 19.579 -7.093 1.00 63.20 C ATOM 320 CG LEU A 21 14.758 18.602 -6.812 1.00 4.53 C ATOM 321 CD1 LEU A 21 13.891 19.110 -5.671 1.00 11.44 C ATOM 322 CD2 LEU A 21 13.921 18.386 -8.065 1.00 2.34 C ATOM 0 H LEU A 21 17.748 18.115 -6.380 1.00 42.20 H new ATOM 0 HA LEU A 21 16.503 18.515 -8.862 1.00 31.43 H new ATOM 0 HB2 LEU A 21 16.381 19.827 -6.147 1.00 63.20 H new ATOM 0 HB3 LEU A 21 15.473 20.502 -7.485 1.00 63.20 H new ATOM 0 HG LEU A 21 15.188 17.645 -6.517 1.00 4.53 H new ATOM 0 HD11 LEU A 21 13.083 18.402 -5.485 1.00 11.44 H new ATOM 0 HD12 LEU A 21 14.498 19.213 -4.771 1.00 11.44 H new ATOM 0 HD13 LEU A 21 13.470 20.079 -5.938 1.00 11.44 H new ATOM 0 HD21 LEU A 21 13.113 17.688 -7.847 1.00 2.34 H new ATOM 0 HD22 LEU A 21 13.501 19.338 -8.390 1.00 2.34 H new ATOM 0 HD23 LEU A 21 14.549 17.978 -8.856 1.00 2.34 H new ATOM 334 N ARG A 22 18.660 20.835 -7.977 1.00 54.50 N ATOM 335 CA ARG A 22 19.417 21.982 -8.466 1.00 20.14 C ATOM 336 C ARG A 22 20.918 21.717 -8.384 1.00 35.33 C ATOM 337 O ARG A 22 21.386 20.894 -7.597 1.00 15.44 O ATOM 338 CB ARG A 22 19.065 23.234 -7.660 1.00 55.20 C ATOM 339 CG ARG A 22 17.944 24.057 -8.273 1.00 14.41 C ATOM 340 CD ARG A 22 17.098 24.730 -7.204 1.00 33.01 C ATOM 341 NE ARG A 22 15.866 23.992 -6.936 1.00 13.44 N ATOM 342 CZ ARG A 22 14.828 23.970 -7.765 1.00 70.31 C ATOM 343 NH1 ARG A 22 14.873 24.640 -8.907 1.00 74.43 N ATOM 344 NH2 ARG A 22 13.741 23.275 -7.451 1.00 23.23 N ATOM 0 H ARG A 22 18.944 20.504 -7.055 1.00 54.50 H new ATOM 0 HA ARG A 22 19.150 22.144 -9.510 1.00 20.14 H new ATOM 0 HB2 ARG A 22 18.777 22.938 -6.651 1.00 55.20 H new ATOM 0 HB3 ARG A 22 19.954 23.858 -7.567 1.00 55.20 H new ATOM 0 HG2 ARG A 22 18.366 24.814 -8.934 1.00 14.41 H new ATOM 0 HG3 ARG A 22 17.313 23.414 -8.887 1.00 14.41 H new ATOM 0 HD2 ARG A 22 17.677 24.816 -6.284 1.00 33.01 H new ATOM 0 HD3 ARG A 22 16.852 25.743 -7.521 1.00 33.01 H new ATOM 0 HE ARG A 22 15.799 23.465 -6.065 1.00 13.44 H new ATOM 0 HH11 ARG A 22 15.706 25.175 -9.152 1.00 74.43 H new ATOM 0 HH12 ARG A 22 14.074 24.621 -9.541 1.00 74.43 H new ATOM 0 HH21 ARG A 22 13.703 22.758 -6.573 1.00 23.23 H new ATOM 0 HH22 ARG A 22 12.944 23.259 -8.088 1.00 23.23 H new ATOM 358 N PRO A 23 21.691 22.429 -9.217 1.00 12.53 N ATOM 359 CA PRO A 23 23.149 22.289 -9.258 1.00 60.40 C ATOM 360 C PRO A 23 23.820 22.841 -8.005 1.00 3.00 C ATOM 361 O PRO A 23 24.854 22.337 -7.569 1.00 23.52 O ATOM 362 CB PRO A 23 23.550 23.110 -10.486 1.00 31.40 C ATOM 363 CG PRO A 23 22.457 24.109 -10.647 1.00 3.35 C ATOM 364 CD PRO A 23 21.200 23.427 -10.182 1.00 62.01 C ATOM 0 HA PRO A 23 23.457 21.245 -9.308 1.00 60.40 H new ATOM 0 HB2 PRO A 23 24.514 23.598 -10.339 1.00 31.40 H new ATOM 0 HB3 PRO A 23 23.644 22.480 -11.370 1.00 31.40 H new ATOM 0 HG2 PRO A 23 22.656 25.004 -10.057 1.00 3.35 H new ATOM 0 HG3 PRO A 23 22.368 24.425 -11.686 1.00 3.35 H new ATOM 0 HD2 PRO A 23 20.510 24.130 -9.717 1.00 62.01 H new ATOM 0 HD3 PRO A 23 20.667 22.958 -11.009 1.00 62.01 H new ATOM 372 N GLY A 24 23.225 23.881 -7.430 1.00 15.24 N ATOM 373 CA GLY A 24 23.779 24.484 -6.231 1.00 72.14 C ATOM 374 C GLY A 24 23.084 24.012 -4.970 1.00 72.32 C ATOM 375 O GLY A 24 23.732 23.747 -3.958 1.00 64.13 O ATOM 0 H GLY A 24 22.369 24.317 -7.773 1.00 15.24 H new ATOM 0 HA2 GLY A 24 24.841 24.248 -6.167 1.00 72.14 H new ATOM 0 HA3 GLY A 24 23.698 25.569 -6.303 1.00 72.14 H new ATOM 379 N GLY A 25 21.760 23.908 -5.028 1.00 64.14 N ATOM 380 CA GLY A 25 20.999 23.466 -3.875 1.00 12.43 C ATOM 381 C GLY A 25 21.452 22.112 -3.364 1.00 50.42 C ATOM 382 O GLY A 25 22.379 21.514 -3.910 1.00 33.01 O ATOM 0 H GLY A 25 21.201 24.122 -5.854 1.00 64.14 H new ATOM 0 HA2 GLY A 25 21.094 24.202 -3.077 1.00 12.43 H new ATOM 0 HA3 GLY A 25 19.942 23.416 -4.138 1.00 12.43 H new ATOM 386 N LYS A 26 20.798 21.629 -2.314 1.00 3.33 N ATOM 387 CA LYS A 26 21.139 20.338 -1.728 1.00 21.15 C ATOM 388 C LYS A 26 19.917 19.426 -1.674 1.00 1.01 C ATOM 389 O LYS A 26 19.876 18.472 -0.897 1.00 13.23 O ATOM 390 CB LYS A 26 21.710 20.527 -0.321 1.00 35.01 C ATOM 391 CG LYS A 26 23.034 19.816 -0.101 1.00 34.24 C ATOM 392 CD LYS A 26 23.971 20.637 0.768 1.00 54.33 C ATOM 393 CE LYS A 26 25.377 20.058 0.774 1.00 31.12 C ATOM 394 NZ LYS A 26 25.400 18.664 1.296 1.00 51.03 N ATOM 0 H LYS A 26 20.028 22.112 -1.851 1.00 3.33 H new ATOM 0 HA LYS A 26 21.894 19.869 -2.359 1.00 21.15 H new ATOM 0 HB2 LYS A 26 21.844 21.592 -0.132 1.00 35.01 H new ATOM 0 HB3 LYS A 26 20.986 20.163 0.408 1.00 35.01 H new ATOM 0 HG2 LYS A 26 22.855 18.849 0.369 1.00 34.24 H new ATOM 0 HG3 LYS A 26 23.507 19.620 -1.063 1.00 34.24 H new ATOM 0 HD2 LYS A 26 24.001 21.664 0.403 1.00 54.33 H new ATOM 0 HD3 LYS A 26 23.586 20.672 1.787 1.00 54.33 H new ATOM 0 HE2 LYS A 26 25.780 20.073 -0.238 1.00 31.12 H new ATOM 0 HE3 LYS A 26 26.026 20.686 1.385 1.00 31.12 H new ATOM 0 HZ1 LYS A 26 26.385 18.341 1.380 1.00 51.03 H new ATOM 0 HZ2 LYS A 26 24.946 18.636 2.231 1.00 51.03 H new ATOM 0 HZ3 LYS A 26 24.885 18.040 0.642 1.00 51.03 H new ATOM 408 N LYS A 27 18.924 19.725 -2.504 1.00 41.40 N ATOM 409 CA LYS A 27 17.702 18.931 -2.554 1.00 51.52 C ATOM 410 C LYS A 27 17.768 17.900 -3.676 1.00 12.51 C ATOM 411 O LYS A 27 18.414 18.122 -4.700 1.00 40.53 O ATOM 412 CB LYS A 27 16.486 19.840 -2.753 1.00 4.11 C ATOM 413 CG LYS A 27 16.143 20.673 -1.530 1.00 10.12 C ATOM 414 CD LYS A 27 14.815 20.251 -0.923 1.00 50.44 C ATOM 415 CE LYS A 27 14.293 21.293 0.054 1.00 32.42 C ATOM 416 NZ LYS A 27 13.852 20.677 1.337 1.00 60.33 N ATOM 0 H LYS A 27 18.941 20.512 -3.152 1.00 41.40 H new ATOM 0 HA LYS A 27 17.603 18.404 -1.605 1.00 51.52 H new ATOM 0 HB2 LYS A 27 16.675 20.506 -3.595 1.00 4.11 H new ATOM 0 HB3 LYS A 27 15.624 19.227 -3.018 1.00 4.11 H new ATOM 0 HG2 LYS A 27 16.933 20.571 -0.786 1.00 10.12 H new ATOM 0 HG3 LYS A 27 16.099 21.726 -1.807 1.00 10.12 H new ATOM 0 HD2 LYS A 27 14.084 20.096 -1.716 1.00 50.44 H new ATOM 0 HD3 LYS A 27 14.935 19.297 -0.410 1.00 50.44 H new ATOM 0 HE2 LYS A 27 15.073 22.028 0.253 1.00 32.42 H new ATOM 0 HE3 LYS A 27 13.458 21.829 -0.398 1.00 32.42 H new ATOM 0 HZ1 LYS A 27 13.503 21.419 1.976 1.00 60.33 H new ATOM 0 HZ2 LYS A 27 13.090 19.994 1.150 1.00 60.33 H new ATOM 0 HZ3 LYS A 27 14.655 20.187 1.781 1.00 60.33 H new ATOM 430 N LYS A 28 17.094 16.773 -3.477 1.00 74.41 N ATOM 431 CA LYS A 28 17.073 15.707 -4.472 1.00 41.02 C ATOM 432 C LYS A 28 15.657 15.474 -4.990 1.00 1.33 C ATOM 433 O LYS A 28 14.686 15.950 -4.403 1.00 53.24 O ATOM 434 CB LYS A 28 17.629 14.412 -3.875 1.00 51.43 C ATOM 435 CG LYS A 28 19.098 14.498 -3.499 1.00 11.15 C ATOM 436 CD LYS A 28 19.438 13.549 -2.361 1.00 43.31 C ATOM 437 CE LYS A 28 20.093 14.283 -1.201 1.00 60.32 C ATOM 438 NZ LYS A 28 21.251 15.107 -1.648 1.00 50.04 N ATOM 0 H LYS A 28 16.554 16.574 -2.635 1.00 74.41 H new ATOM 0 HA LYS A 28 17.701 16.013 -5.309 1.00 41.02 H new ATOM 0 HB2 LYS A 28 17.050 14.152 -2.989 1.00 51.43 H new ATOM 0 HB3 LYS A 28 17.493 13.603 -4.593 1.00 51.43 H new ATOM 0 HG2 LYS A 28 19.712 14.260 -4.368 1.00 11.15 H new ATOM 0 HG3 LYS A 28 19.341 15.520 -3.207 1.00 11.15 H new ATOM 0 HD2 LYS A 28 18.530 13.055 -2.014 1.00 43.31 H new ATOM 0 HD3 LYS A 28 20.107 12.769 -2.724 1.00 43.31 H new ATOM 0 HE2 LYS A 28 19.357 14.924 -0.715 1.00 60.32 H new ATOM 0 HE3 LYS A 28 20.427 13.560 -0.457 1.00 60.32 H new ATOM 0 HZ1 LYS A 28 21.925 15.213 -0.863 1.00 50.04 H new ATOM 0 HZ2 LYS A 28 21.722 14.639 -2.448 1.00 50.04 H new ATOM 0 HZ3 LYS A 28 20.915 16.045 -1.945 1.00 50.04 H new ATOM 452 N TYR A 29 15.549 14.739 -6.091 1.00 61.34 N ATOM 453 CA TYR A 29 14.252 14.443 -6.687 1.00 52.34 C ATOM 454 C TYR A 29 13.469 13.457 -5.828 1.00 34.22 C ATOM 455 O TYR A 29 14.050 12.612 -5.148 1.00 33.35 O ATOM 456 CB TYR A 29 14.432 13.876 -8.097 1.00 44.33 C ATOM 457 CG TYR A 29 14.597 14.940 -9.160 1.00 13.11 C ATOM 458 CD1 TYR A 29 15.835 15.523 -9.403 1.00 13.03 C ATOM 459 CD2 TYR A 29 13.515 15.359 -9.923 1.00 52.41 C ATOM 460 CE1 TYR A 29 15.989 16.494 -10.372 1.00 63.04 C ATOM 461 CE2 TYR A 29 13.660 16.329 -10.896 1.00 4.51 C ATOM 462 CZ TYR A 29 14.899 16.894 -11.116 1.00 12.51 C ATOM 463 OH TYR A 29 15.049 17.861 -12.084 1.00 23.52 O ATOM 0 H TYR A 29 16.344 14.337 -6.589 1.00 61.34 H new ATOM 0 HA TYR A 29 13.688 15.374 -6.745 1.00 52.34 H new ATOM 0 HB2 TYR A 29 15.305 13.224 -8.109 1.00 44.33 H new ATOM 0 HB3 TYR A 29 13.569 13.258 -8.344 1.00 44.33 H new ATOM 0 HD1 TYR A 29 16.691 15.211 -8.824 1.00 13.03 H new ATOM 0 HD2 TYR A 29 12.543 14.919 -9.753 1.00 52.41 H new ATOM 0 HE1 TYR A 29 16.958 16.938 -10.546 1.00 63.04 H new ATOM 0 HE2 TYR A 29 12.808 16.643 -11.481 1.00 4.51 H new ATOM 0 HH TYR A 29 15.957 18.226 -12.043 1.00 23.52 H new ATOM 473 N ARG A 30 12.145 13.570 -5.865 1.00 10.11 N ATOM 474 CA ARG A 30 11.280 12.689 -5.089 1.00 13.14 C ATOM 475 C ARG A 30 10.057 12.274 -5.901 1.00 53.43 C ATOM 476 O ARG A 30 9.733 12.893 -6.917 1.00 24.03 O ATOM 477 CB ARG A 30 10.837 13.381 -3.798 1.00 62.22 C ATOM 478 CG ARG A 30 11.140 12.579 -2.543 1.00 71.14 C ATOM 479 CD ARG A 30 11.217 13.474 -1.316 1.00 22.43 C ATOM 480 NE ARG A 30 10.612 12.848 -0.143 1.00 70.33 N ATOM 481 CZ ARG A 30 10.390 13.488 1.000 1.00 1.11 C ATOM 482 NH1 ARG A 30 10.721 14.766 1.123 1.00 63.42 N ATOM 483 NH2 ARG A 30 9.835 12.849 2.023 1.00 43.24 N ATOM 0 H ARG A 30 11.648 14.263 -6.424 1.00 10.11 H new ATOM 0 HA ARG A 30 11.848 11.794 -4.837 1.00 13.14 H new ATOM 0 HB2 ARG A 30 11.330 14.350 -3.728 1.00 62.22 H new ATOM 0 HB3 ARG A 30 9.765 13.572 -3.847 1.00 62.22 H new ATOM 0 HG2 ARG A 30 10.367 11.824 -2.397 1.00 71.14 H new ATOM 0 HG3 ARG A 30 12.084 12.048 -2.668 1.00 71.14 H new ATOM 0 HD2 ARG A 30 12.260 13.709 -1.104 1.00 22.43 H new ATOM 0 HD3 ARG A 30 10.713 14.418 -1.524 1.00 22.43 H new ATOM 0 HE ARG A 30 10.345 11.865 -0.205 1.00 70.33 H new ATOM 0 HH11 ARG A 30 11.147 15.260 0.339 1.00 63.42 H new ATOM 0 HH12 ARG A 30 10.549 15.255 2.002 1.00 63.42 H new ATOM 0 HH21 ARG A 30 9.579 11.866 1.932 1.00 43.24 H new ATOM 0 HH22 ARG A 30 9.665 13.341 2.900 1.00 43.24 H new ATOM 497 N LEU A 31 9.381 11.224 -5.449 1.00 3.54 N ATOM 498 CA LEU A 31 8.194 10.726 -6.134 1.00 14.43 C ATOM 499 C LEU A 31 7.275 11.875 -6.538 1.00 31.22 C ATOM 500 O LEU A 31 6.745 11.900 -7.649 1.00 30.34 O ATOM 501 CB LEU A 31 7.437 9.744 -5.236 1.00 40.41 C ATOM 502 CG LEU A 31 7.184 8.356 -5.823 1.00 24.31 C ATOM 503 CD1 LEU A 31 8.500 7.682 -6.185 1.00 14.30 C ATOM 504 CD2 LEU A 31 6.396 7.499 -4.845 1.00 15.15 C ATOM 0 H LEU A 31 9.635 10.701 -4.611 1.00 3.54 H new ATOM 0 HA LEU A 31 8.517 10.209 -7.038 1.00 14.43 H new ATOM 0 HB2 LEU A 31 7.996 9.627 -4.307 1.00 40.41 H new ATOM 0 HB3 LEU A 31 6.476 10.187 -4.976 1.00 40.41 H new ATOM 0 HG LEU A 31 6.594 8.469 -6.733 1.00 24.31 H new ATOM 0 HD11 LEU A 31 8.301 6.695 -6.601 1.00 14.30 H new ATOM 0 HD12 LEU A 31 9.028 8.287 -6.922 1.00 14.30 H new ATOM 0 HD13 LEU A 31 9.115 7.581 -5.291 1.00 14.30 H new ATOM 0 HD21 LEU A 31 6.225 6.514 -5.280 1.00 15.15 H new ATOM 0 HD22 LEU A 31 6.959 7.393 -3.918 1.00 15.15 H new ATOM 0 HD23 LEU A 31 5.438 7.974 -4.635 1.00 15.15 H new ATOM 516 N LYS A 32 7.093 12.827 -5.629 1.00 61.41 N ATOM 517 CA LYS A 32 6.242 13.982 -5.891 1.00 4.03 C ATOM 518 C LYS A 32 6.568 14.602 -7.246 1.00 54.21 C ATOM 519 O LYS A 32 5.669 14.928 -8.022 1.00 72.23 O ATOM 520 CB LYS A 32 6.413 15.027 -4.786 1.00 52.41 C ATOM 521 CG LYS A 32 5.751 14.639 -3.475 1.00 1.34 C ATOM 522 CD LYS A 32 5.741 15.798 -2.492 1.00 31.14 C ATOM 523 CE LYS A 32 4.569 16.734 -2.745 1.00 13.03 C ATOM 524 NZ LYS A 32 4.996 18.160 -2.782 1.00 2.24 N ATOM 0 H LYS A 32 7.523 12.822 -4.704 1.00 61.41 H new ATOM 0 HA LYS A 32 5.206 13.643 -5.906 1.00 4.03 H new ATOM 0 HB2 LYS A 32 7.477 15.189 -4.612 1.00 52.41 H new ATOM 0 HB3 LYS A 32 5.997 15.975 -5.127 1.00 52.41 H new ATOM 0 HG2 LYS A 32 4.728 14.313 -3.665 1.00 1.34 H new ATOM 0 HG3 LYS A 32 6.279 13.793 -3.036 1.00 1.34 H new ATOM 0 HD2 LYS A 32 5.687 15.412 -1.474 1.00 31.14 H new ATOM 0 HD3 LYS A 32 6.675 16.353 -2.573 1.00 31.14 H new ATOM 0 HE2 LYS A 32 4.093 16.473 -3.690 1.00 13.03 H new ATOM 0 HE3 LYS A 32 3.821 16.599 -1.964 1.00 13.03 H new ATOM 0 HZ1 LYS A 32 4.169 18.766 -2.957 1.00 2.24 H new ATOM 0 HZ2 LYS A 32 5.427 18.417 -1.871 1.00 2.24 H new ATOM 0 HZ3 LYS A 32 5.691 18.295 -3.544 1.00 2.24 H new ATOM 538 N HIS A 33 7.857 14.760 -7.525 1.00 25.35 N ATOM 539 CA HIS A 33 8.301 15.339 -8.788 1.00 44.44 C ATOM 540 C HIS A 33 7.952 14.423 -9.957 1.00 72.34 C ATOM 541 O HIS A 33 7.691 14.957 -11.036 1.00 30.21 O ATOM 542 CB HIS A 33 9.809 15.591 -8.757 1.00 42.22 C ATOM 543 CG HIS A 33 10.236 16.535 -7.674 1.00 61.10 C ATOM 544 ND1 HIS A 33 10.961 16.137 -6.572 1.00 5.32 N ATOM 545 CD2 HIS A 33 10.036 17.865 -7.531 1.00 4.45 C ATOM 546 CE1 HIS A 33 11.188 17.183 -5.796 1.00 32.44 C ATOM 547 NE2 HIS A 33 10.638 18.244 -6.357 1.00 10.31 N ATOM 0 H HIS A 33 8.613 14.495 -6.894 1.00 25.35 H new ATOM 0 HA HIS A 33 7.784 16.289 -8.925 1.00 44.44 H new ATOM 0 HB2 HIS A 33 10.325 14.640 -8.624 1.00 42.22 H new ATOM 0 HB3 HIS A 33 10.122 15.991 -9.721 1.00 42.22 H new ATOM 0 HD2 HIS A 33 9.502 18.509 -8.214 1.00 4.45 H new ATOM 0 HE1 HIS A 33 11.731 17.171 -4.862 1.00 32.44 H new ATOM 0 HE2 HIS A 33 10.657 19.191 -5.979 1.00 10.31 H new ATOM 555 N ILE A 34 7.941 13.106 -9.780 1.00 53.43 N ATOM 556 CA ILE A 34 7.611 12.192 -10.866 1.00 63.25 C ATOM 557 C ILE A 34 6.142 12.307 -11.256 1.00 33.51 C ATOM 558 O ILE A 34 5.790 12.209 -12.431 1.00 50.02 O ATOM 559 CB ILE A 34 7.918 10.732 -10.486 1.00 20.43 C ATOM 560 CG1 ILE A 34 9.353 10.606 -9.972 1.00 62.23 C ATOM 561 CG2 ILE A 34 7.695 9.815 -11.680 1.00 30.42 C ATOM 562 CD1 ILE A 34 9.744 9.190 -9.609 1.00 2.43 C ATOM 0 H ILE A 34 8.157 12.648 -8.894 1.00 53.43 H new ATOM 0 HA ILE A 34 8.232 12.476 -11.716 1.00 63.25 H new ATOM 0 HB ILE A 34 7.239 10.430 -9.689 1.00 20.43 H new ATOM 0 HG12 ILE A 34 10.037 10.979 -10.734 1.00 62.23 H new ATOM 0 HG13 ILE A 34 9.474 11.243 -9.096 1.00 62.23 H new ATOM 0 HG21 ILE A 34 7.916 8.786 -11.395 1.00 30.42 H new ATOM 0 HG22 ILE A 34 6.657 9.886 -12.005 1.00 30.42 H new ATOM 0 HG23 ILE A 34 8.352 10.115 -12.497 1.00 30.42 H new ATOM 0 HD11 ILE A 34 10.774 9.177 -9.253 1.00 2.43 H new ATOM 0 HD12 ILE A 34 9.084 8.820 -8.825 1.00 2.43 H new ATOM 0 HD13 ILE A 34 9.656 8.552 -10.488 1.00 2.43 H new ATOM 574 N VAL A 35 5.286 12.515 -10.260 1.00 3.44 N ATOM 575 CA VAL A 35 3.854 12.647 -10.497 1.00 74.23 C ATOM 576 C VAL A 35 3.549 13.863 -11.364 1.00 71.44 C ATOM 577 O VAL A 35 2.946 13.742 -12.431 1.00 12.31 O ATOM 578 CB VAL A 35 3.073 12.766 -9.175 1.00 22.42 C ATOM 579 CG1 VAL A 35 1.587 12.940 -9.445 1.00 11.32 C ATOM 580 CG2 VAL A 35 3.325 11.547 -8.297 1.00 53.42 C ATOM 0 H VAL A 35 5.560 12.596 -9.281 1.00 3.44 H new ATOM 0 HA VAL A 35 3.537 11.744 -11.018 1.00 74.23 H new ATOM 0 HB VAL A 35 3.426 13.649 -8.643 1.00 22.42 H new ATOM 0 HG11 VAL A 35 1.052 13.022 -8.499 1.00 11.32 H new ATOM 0 HG12 VAL A 35 1.427 13.845 -10.032 1.00 11.32 H new ATOM 0 HG13 VAL A 35 1.214 12.078 -9.998 1.00 11.32 H new ATOM 0 HG21 VAL A 35 2.766 11.647 -7.367 1.00 53.42 H new ATOM 0 HG22 VAL A 35 3.000 10.648 -8.821 1.00 53.42 H new ATOM 0 HG23 VAL A 35 4.389 11.473 -8.074 1.00 53.42 H new ATOM 590 N TRP A 36 3.972 15.033 -10.901 1.00 42.21 N ATOM 591 CA TRP A 36 3.745 16.273 -11.635 1.00 44.53 C ATOM 592 C TRP A 36 4.018 16.082 -13.123 1.00 12.53 C ATOM 593 O TRP A 36 3.302 16.618 -13.969 1.00 32.34 O ATOM 594 CB TRP A 36 4.631 17.389 -11.080 1.00 25.44 C ATOM 595 CG TRP A 36 4.437 18.702 -11.773 1.00 45.31 C ATOM 596 CD1 TRP A 36 3.423 19.594 -11.570 1.00 41.21 C ATOM 597 CD2 TRP A 36 5.278 19.272 -12.783 1.00 24.33 C ATOM 598 NE1 TRP A 36 3.583 20.684 -12.393 1.00 14.21 N ATOM 599 CE2 TRP A 36 4.714 20.511 -13.146 1.00 33.01 C ATOM 600 CE3 TRP A 36 6.454 18.857 -13.414 1.00 41.10 C ATOM 601 CZ2 TRP A 36 5.286 21.334 -14.112 1.00 30.12 C ATOM 602 CZ3 TRP A 36 7.020 19.675 -14.373 1.00 2.44 C ATOM 603 CH2 TRP A 36 6.437 20.903 -14.714 1.00 32.34 C ATOM 0 H TRP A 36 4.474 15.150 -10.021 1.00 42.21 H new ATOM 0 HA TRP A 36 2.699 16.554 -11.509 1.00 44.53 H new ATOM 0 HB2 TRP A 36 4.423 17.513 -10.017 1.00 25.44 H new ATOM 0 HB3 TRP A 36 5.676 17.091 -11.168 1.00 25.44 H new ATOM 0 HD1 TRP A 36 2.614 19.463 -10.866 1.00 41.21 H new ATOM 0 HE1 TRP A 36 2.960 21.491 -12.436 1.00 14.21 H new ATOM 0 HE3 TRP A 36 6.912 17.914 -13.157 1.00 41.10 H new ATOM 0 HZ2 TRP A 36 4.837 22.280 -14.377 1.00 30.12 H new ATOM 0 HZ3 TRP A 36 7.927 19.363 -14.868 1.00 2.44 H new ATOM 0 HH2 TRP A 36 6.905 21.521 -15.466 1.00 32.34 H new ATOM 614 N ALA A 37 5.058 15.317 -13.436 1.00 21.42 N ATOM 615 CA ALA A 37 5.423 15.054 -14.822 1.00 25.22 C ATOM 616 C ALA A 37 4.393 14.159 -15.502 1.00 62.21 C ATOM 617 O ALA A 37 3.845 14.510 -16.546 1.00 63.21 O ATOM 618 CB ALA A 37 6.805 14.419 -14.892 1.00 54.32 C ATOM 0 H ALA A 37 5.663 14.868 -12.748 1.00 21.42 H new ATOM 0 HA ALA A 37 5.444 16.006 -15.353 1.00 25.22 H new ATOM 0 HB1 ALA A 37 7.065 14.228 -15.933 1.00 54.32 H new ATOM 0 HB2 ALA A 37 7.539 15.095 -14.453 1.00 54.32 H new ATOM 0 HB3 ALA A 37 6.802 13.479 -14.340 1.00 54.32 H new ATOM 624 N ALA A 38 4.134 13.002 -14.902 1.00 73.20 N ATOM 625 CA ALA A 38 3.168 12.057 -15.449 1.00 42.13 C ATOM 626 C ALA A 38 1.817 12.727 -15.679 1.00 72.45 C ATOM 627 O ALA A 38 1.168 12.499 -16.700 1.00 41.52 O ATOM 628 CB ALA A 38 3.016 10.861 -14.522 1.00 52.03 C ATOM 0 H ALA A 38 4.580 12.696 -14.037 1.00 73.20 H new ATOM 0 HA ALA A 38 3.541 11.709 -16.412 1.00 42.13 H new ATOM 0 HB1 ALA A 38 2.292 10.164 -14.943 1.00 52.03 H new ATOM 0 HB2 ALA A 38 3.979 10.362 -14.412 1.00 52.03 H new ATOM 0 HB3 ALA A 38 2.669 11.199 -13.546 1.00 52.03 H new ATOM 634 N ASN A 39 1.399 13.550 -14.725 1.00 15.24 N ATOM 635 CA ASN A 39 0.123 14.251 -14.822 1.00 61.33 C ATOM 636 C ASN A 39 0.138 15.246 -15.978 1.00 40.35 C ATOM 637 O ASN A 39 -0.700 15.181 -16.879 1.00 45.42 O ATOM 638 CB ASN A 39 -0.186 14.977 -13.512 1.00 64.21 C ATOM 639 CG ASN A 39 -1.429 14.438 -12.831 1.00 23.52 C ATOM 640 OD1 ASN A 39 -1.345 13.769 -11.800 1.00 71.03 O ATOM 641 ND2 ASN A 39 -2.591 14.727 -13.406 1.00 61.41 N ATOM 0 H ASN A 39 1.925 13.749 -13.874 1.00 15.24 H new ATOM 0 HA ASN A 39 -0.656 13.513 -15.011 1.00 61.33 H new ATOM 0 HB2 ASN A 39 0.665 14.881 -12.837 1.00 64.21 H new ATOM 0 HB3 ASN A 39 -0.317 16.041 -13.711 1.00 64.21 H new ATOM 0 HD21 ASN A 39 -3.461 14.391 -12.994 1.00 61.41 H new ATOM 0 HD22 ASN A 39 -2.613 15.285 -14.260 1.00 61.41 H new ATOM 648 N LYS A 40 1.096 16.167 -15.947 1.00 14.21 N ATOM 649 CA LYS A 40 1.221 17.176 -16.992 1.00 22.31 C ATOM 650 C LYS A 40 1.037 16.556 -18.373 1.00 12.22 C ATOM 651 O LYS A 40 0.443 17.165 -19.264 1.00 33.43 O ATOM 652 CB LYS A 40 2.588 17.859 -16.906 1.00 44.01 C ATOM 653 CG LYS A 40 2.638 18.997 -15.902 1.00 41.41 C ATOM 654 CD LYS A 40 1.698 20.126 -16.291 1.00 54.42 C ATOM 655 CE LYS A 40 1.891 21.344 -15.401 1.00 50.43 C ATOM 656 NZ LYS A 40 1.354 22.583 -16.031 1.00 33.31 N ATOM 0 H LYS A 40 1.797 16.235 -15.209 1.00 14.21 H new ATOM 0 HA LYS A 40 0.438 17.919 -16.841 1.00 22.31 H new ATOM 0 HB2 LYS A 40 3.339 17.116 -16.638 1.00 44.01 H new ATOM 0 HB3 LYS A 40 2.856 18.242 -17.891 1.00 44.01 H new ATOM 0 HG2 LYS A 40 2.370 18.623 -14.914 1.00 41.41 H new ATOM 0 HG3 LYS A 40 3.657 19.378 -15.833 1.00 41.41 H new ATOM 0 HD2 LYS A 40 1.871 20.403 -17.331 1.00 54.42 H new ATOM 0 HD3 LYS A 40 0.666 19.782 -16.220 1.00 54.42 H new ATOM 0 HE2 LYS A 40 1.394 21.178 -14.445 1.00 50.43 H new ATOM 0 HE3 LYS A 40 2.952 21.475 -15.190 1.00 50.43 H new ATOM 0 HZ1 LYS A 40 1.270 23.330 -15.312 1.00 33.31 H new ATOM 0 HZ2 LYS A 40 2.000 22.898 -16.783 1.00 33.31 H new ATOM 0 HZ3 LYS A 40 0.417 22.387 -16.438 1.00 33.31 H new ATOM 670 N LEU A 41 1.548 15.341 -18.543 1.00 53.12 N ATOM 671 CA LEU A 41 1.437 14.637 -19.817 1.00 4.13 C ATOM 672 C LEU A 41 -0.022 14.349 -20.155 1.00 23.03 C ATOM 673 O LEU A 41 -0.560 14.877 -21.129 1.00 1.15 O ATOM 674 CB LEU A 41 2.229 13.330 -19.769 1.00 21.23 C ATOM 675 CG LEU A 41 3.752 13.465 -19.803 1.00 30.25 C ATOM 676 CD1 LEU A 41 4.413 12.188 -19.309 1.00 51.13 C ATOM 677 CD2 LEU A 41 4.226 13.804 -21.209 1.00 12.02 C ATOM 0 H LEU A 41 2.042 14.823 -17.816 1.00 53.12 H new ATOM 0 HA LEU A 41 1.851 15.278 -20.596 1.00 4.13 H new ATOM 0 HB2 LEU A 41 1.952 12.794 -18.861 1.00 21.23 H new ATOM 0 HB3 LEU A 41 1.920 12.711 -20.611 1.00 21.23 H new ATOM 0 HG LEU A 41 4.040 14.279 -19.138 1.00 30.25 H new ATOM 0 HD11 LEU A 41 5.496 12.303 -19.341 1.00 51.13 H new ATOM 0 HD12 LEU A 41 4.099 11.989 -18.284 1.00 51.13 H new ATOM 0 HD13 LEU A 41 4.118 11.355 -19.947 1.00 51.13 H new ATOM 0 HD21 LEU A 41 5.312 13.896 -21.214 1.00 12.02 H new ATOM 0 HD22 LEU A 41 3.926 13.012 -21.895 1.00 12.02 H new ATOM 0 HD23 LEU A 41 3.780 14.747 -21.526 1.00 12.02 H new ATOM 689 N ASP A 42 -0.657 13.511 -19.344 1.00 13.31 N ATOM 690 CA ASP A 42 -2.056 13.155 -19.555 1.00 45.31 C ATOM 691 C ASP A 42 -2.879 14.385 -19.924 1.00 52.42 C ATOM 692 O ASP A 42 -3.655 14.361 -20.880 1.00 32.10 O ATOM 693 CB ASP A 42 -2.632 12.497 -18.301 1.00 41.41 C ATOM 694 CG ASP A 42 -2.338 11.012 -18.238 1.00 63.41 C ATOM 695 OD1 ASP A 42 -1.727 10.487 -19.193 1.00 11.14 O ATOM 696 OD2 ASP A 42 -2.715 10.374 -17.234 1.00 15.24 O ATOM 0 H ASP A 42 -0.226 13.065 -18.534 1.00 13.31 H new ATOM 0 HA ASP A 42 -2.105 12.446 -20.382 1.00 45.31 H new ATOM 0 HB2 ASP A 42 -2.220 12.984 -17.417 1.00 41.41 H new ATOM 0 HB3 ASP A 42 -3.711 12.652 -18.276 1.00 41.41 H new ATOM 701 N ARG A 43 -2.706 15.458 -19.160 1.00 14.54 N ATOM 702 CA ARG A 43 -3.435 16.697 -19.405 1.00 70.25 C ATOM 703 C ARG A 43 -3.099 17.262 -20.782 1.00 24.03 C ATOM 704 O ARG A 43 -3.983 17.469 -21.613 1.00 11.45 O ATOM 705 CB ARG A 43 -3.108 17.728 -18.324 1.00 51.52 C ATOM 706 CG ARG A 43 -4.337 18.385 -17.718 1.00 51.02 C ATOM 707 CD ARG A 43 -5.034 19.296 -18.718 1.00 23.24 C ATOM 708 NE ARG A 43 -4.795 20.708 -18.431 1.00 61.14 N ATOM 709 CZ ARG A 43 -5.348 21.701 -19.118 1.00 0.14 C ATOM 710 NH1 ARG A 43 -6.168 21.438 -20.127 1.00 22.11 N ATOM 711 NH2 ARG A 43 -5.082 22.961 -18.796 1.00 74.21 N ATOM 0 H ARG A 43 -2.067 15.495 -18.366 1.00 14.54 H new ATOM 0 HA ARG A 43 -4.502 16.474 -19.374 1.00 70.25 H new ATOM 0 HB2 ARG A 43 -2.538 17.243 -17.532 1.00 51.52 H new ATOM 0 HB3 ARG A 43 -2.467 18.499 -18.751 1.00 51.52 H new ATOM 0 HG2 ARG A 43 -5.032 17.616 -17.379 1.00 51.02 H new ATOM 0 HG3 ARG A 43 -4.047 18.962 -16.840 1.00 51.02 H new ATOM 0 HD2 ARG A 43 -4.683 19.066 -19.724 1.00 23.24 H new ATOM 0 HD3 ARG A 43 -6.106 19.099 -18.702 1.00 23.24 H new ATOM 0 HE ARG A 43 -4.169 20.944 -17.661 1.00 61.14 H new ATOM 0 HH11 ARG A 43 -6.375 20.471 -20.377 1.00 22.11 H new ATOM 0 HH12 ARG A 43 -6.591 22.203 -20.653 1.00 22.11 H new ATOM 0 HH21 ARG A 43 -4.452 23.167 -18.020 1.00 74.21 H new ATOM 0 HH22 ARG A 43 -5.507 23.723 -19.324 1.00 74.21 H new ATOM 725 N PHE A 44 -1.814 17.511 -21.015 1.00 71.34 N ATOM 726 CA PHE A 44 -1.361 18.054 -22.290 1.00 64.12 C ATOM 727 C PHE A 44 -1.879 17.215 -23.455 1.00 32.00 C ATOM 728 O PHE A 44 -2.333 17.749 -24.466 1.00 0.32 O ATOM 729 CB PHE A 44 0.168 18.111 -22.329 1.00 53.44 C ATOM 730 CG PHE A 44 0.731 19.420 -21.856 1.00 43.33 C ATOM 731 CD1 PHE A 44 0.354 20.610 -22.459 1.00 13.10 C ATOM 732 CD2 PHE A 44 1.638 19.462 -20.810 1.00 12.24 C ATOM 733 CE1 PHE A 44 0.871 21.816 -22.026 1.00 1.41 C ATOM 734 CE2 PHE A 44 2.158 20.666 -20.373 1.00 30.30 C ATOM 735 CZ PHE A 44 1.773 21.844 -20.981 1.00 4.41 C ATOM 0 H PHE A 44 -1.069 17.345 -20.338 1.00 71.34 H new ATOM 0 HA PHE A 44 -1.759 19.064 -22.388 1.00 64.12 H new ATOM 0 HB2 PHE A 44 0.569 17.308 -21.711 1.00 53.44 H new ATOM 0 HB3 PHE A 44 0.505 17.927 -23.349 1.00 53.44 H new ATOM 0 HD1 PHE A 44 -0.352 20.594 -23.276 1.00 13.10 H new ATOM 0 HD2 PHE A 44 1.942 18.544 -20.330 1.00 12.24 H new ATOM 0 HE1 PHE A 44 0.570 22.736 -22.505 1.00 1.41 H new ATOM 0 HE2 PHE A 44 2.865 20.685 -19.557 1.00 30.30 H new ATOM 0 HZ PHE A 44 2.177 22.786 -20.640 1.00 4.41 H new ATOM 745 N GLY A 45 -1.808 15.896 -23.304 1.00 14.10 N ATOM 746 CA GLY A 45 -2.273 15.003 -24.350 1.00 2.33 C ATOM 747 C GLY A 45 -1.404 13.769 -24.487 1.00 21.45 C ATOM 748 O GLY A 45 -1.717 12.864 -25.262 1.00 22.32 O ATOM 0 H GLY A 45 -1.437 15.430 -22.476 1.00 14.10 H new ATOM 0 HA2 GLY A 45 -3.298 14.700 -24.136 1.00 2.33 H new ATOM 0 HA3 GLY A 45 -2.291 15.538 -25.299 1.00 2.33 H new ATOM 752 N LEU A 46 -0.310 13.731 -23.735 1.00 63.54 N ATOM 753 CA LEU A 46 0.609 12.599 -23.777 1.00 62.22 C ATOM 754 C LEU A 46 0.269 11.581 -22.694 1.00 31.03 C ATOM 755 O LEU A 46 -0.395 11.906 -21.710 1.00 11.14 O ATOM 756 CB LEU A 46 2.051 13.079 -23.606 1.00 42.41 C ATOM 757 CG LEU A 46 2.717 13.660 -24.854 1.00 62.41 C ATOM 758 CD1 LEU A 46 3.345 15.010 -24.545 1.00 20.31 C ATOM 759 CD2 LEU A 46 3.762 12.696 -25.397 1.00 74.25 C ATOM 0 H LEU A 46 -0.037 14.471 -23.088 1.00 63.54 H new ATOM 0 HA LEU A 46 0.506 12.117 -24.749 1.00 62.22 H new ATOM 0 HB2 LEU A 46 2.070 13.836 -22.822 1.00 42.41 H new ATOM 0 HB3 LEU A 46 2.653 12.241 -23.254 1.00 42.41 H new ATOM 0 HG LEU A 46 1.952 13.805 -25.617 1.00 62.41 H new ATOM 0 HD11 LEU A 46 3.814 15.408 -25.445 1.00 20.31 H new ATOM 0 HD12 LEU A 46 2.574 15.700 -24.202 1.00 20.31 H new ATOM 0 HD13 LEU A 46 4.098 14.891 -23.766 1.00 20.31 H new ATOM 0 HD21 LEU A 46 4.226 13.125 -26.285 1.00 74.25 H new ATOM 0 HD22 LEU A 46 4.524 12.520 -24.638 1.00 74.25 H new ATOM 0 HD23 LEU A 46 3.285 11.751 -25.657 1.00 74.25 H new ATOM 771 N ALA A 47 0.730 10.348 -22.881 1.00 11.15 N ATOM 772 CA ALA A 47 0.478 9.284 -21.917 1.00 42.30 C ATOM 773 C ALA A 47 1.629 9.158 -20.925 1.00 35.22 C ATOM 774 O ALA A 47 2.796 9.254 -21.300 1.00 4.21 O ATOM 775 CB ALA A 47 0.252 7.963 -22.637 1.00 4.11 C ATOM 0 H ALA A 47 1.280 10.062 -23.691 1.00 11.15 H new ATOM 0 HA ALA A 47 -0.422 9.539 -21.358 1.00 42.30 H new ATOM 0 HB1 ALA A 47 0.065 7.177 -21.905 1.00 4.11 H new ATOM 0 HB2 ALA A 47 -0.608 8.053 -23.301 1.00 4.11 H new ATOM 0 HB3 ALA A 47 1.137 7.711 -23.222 1.00 4.11 H new ATOM 826 N LEU A 51 6.668 7.038 -19.859 1.00 50.44 N ATOM 827 CA LEU A 51 7.799 7.224 -18.957 1.00 52.22 C ATOM 828 C LEU A 51 8.362 5.880 -18.506 1.00 4.50 C ATOM 829 O LEU A 51 9.377 5.824 -17.812 1.00 54.12 O ATOM 830 CB LEU A 51 7.376 8.047 -17.739 1.00 34.32 C ATOM 831 CG LEU A 51 7.322 9.561 -17.938 1.00 42.40 C ATOM 832 CD1 LEU A 51 6.361 10.198 -16.945 1.00 73.43 C ATOM 833 CD2 LEU A 51 8.711 10.168 -17.800 1.00 63.42 C ATOM 0 HA LEU A 51 8.578 7.761 -19.497 1.00 52.22 H new ATOM 0 HB2 LEU A 51 6.390 7.707 -17.421 1.00 34.32 H new ATOM 0 HB3 LEU A 51 8.066 7.832 -16.923 1.00 34.32 H new ATOM 0 HG LEU A 51 6.957 9.761 -18.945 1.00 42.40 H new ATOM 0 HD11 LEU A 51 6.337 11.276 -17.103 1.00 73.43 H new ATOM 0 HD12 LEU A 51 5.362 9.787 -17.091 1.00 73.43 H new ATOM 0 HD13 LEU A 51 6.695 9.987 -15.929 1.00 73.43 H new ATOM 0 HD21 LEU A 51 8.653 11.247 -17.945 1.00 63.42 H new ATOM 0 HD22 LEU A 51 9.103 9.956 -16.805 1.00 63.42 H new ATOM 0 HD23 LEU A 51 9.373 9.736 -18.551 1.00 63.42 H new ATOM 845 N GLU A 52 7.698 4.801 -18.909 1.00 4.23 N ATOM 846 CA GLU A 52 8.134 3.458 -18.546 1.00 21.10 C ATOM 847 C GLU A 52 9.041 2.871 -19.625 1.00 72.14 C ATOM 848 O GLU A 52 9.214 1.655 -19.711 1.00 44.14 O ATOM 849 CB GLU A 52 6.926 2.546 -18.329 1.00 34.13 C ATOM 850 CG GLU A 52 5.832 3.176 -17.483 1.00 51.32 C ATOM 851 CD GLU A 52 4.915 2.145 -16.853 1.00 13.41 C ATOM 852 OE1 GLU A 52 4.937 0.979 -17.299 1.00 14.32 O ATOM 853 OE2 GLU A 52 4.176 2.507 -15.914 1.00 35.34 O ATOM 0 H GLU A 52 6.857 4.831 -19.486 1.00 4.23 H new ATOM 0 HA GLU A 52 8.699 3.526 -17.617 1.00 21.10 H new ATOM 0 HB2 GLU A 52 6.511 2.270 -19.298 1.00 34.13 H new ATOM 0 HB3 GLU A 52 7.258 1.625 -17.851 1.00 34.13 H new ATOM 0 HG2 GLU A 52 6.287 3.780 -16.698 1.00 51.32 H new ATOM 0 HG3 GLU A 52 5.242 3.851 -18.103 1.00 51.32 H new ATOM 860 N SER A 53 9.616 3.744 -20.446 1.00 40.21 N ATOM 861 CA SER A 53 10.500 3.313 -21.522 1.00 5.04 C ATOM 862 C SER A 53 11.330 4.481 -22.043 1.00 43.55 C ATOM 863 O SER A 53 10.798 5.548 -22.351 1.00 41.34 O ATOM 864 CB SER A 53 9.688 2.700 -22.664 1.00 71.30 C ATOM 865 OG SER A 53 9.469 3.644 -23.698 1.00 15.23 O ATOM 0 H SER A 53 9.485 4.754 -20.386 1.00 40.21 H new ATOM 0 HA SER A 53 11.177 2.558 -21.122 1.00 5.04 H new ATOM 0 HB2 SER A 53 10.214 1.833 -23.064 1.00 71.30 H new ATOM 0 HB3 SER A 53 8.731 2.344 -22.283 1.00 71.30 H new ATOM 0 HG SER A 53 8.949 3.227 -24.417 1.00 15.23 H new ATOM 871 N LYS A 54 12.639 4.274 -22.141 1.00 24.25 N ATOM 872 CA LYS A 54 13.545 5.308 -22.626 1.00 72.20 C ATOM 873 C LYS A 54 13.162 5.750 -24.034 1.00 12.52 C ATOM 874 O LYS A 54 13.358 6.907 -24.406 1.00 14.11 O ATOM 875 CB LYS A 54 14.987 4.797 -22.616 1.00 21.24 C ATOM 876 CG LYS A 54 15.258 3.720 -23.654 1.00 3.35 C ATOM 877 CD LYS A 54 16.659 3.149 -23.511 1.00 63.54 C ATOM 878 CE LYS A 54 17.583 3.658 -24.607 1.00 54.43 C ATOM 879 NZ LYS A 54 17.539 5.142 -24.725 1.00 34.42 N ATOM 0 H LYS A 54 13.097 3.398 -21.890 1.00 24.25 H new ATOM 0 HA LYS A 54 13.465 6.167 -21.960 1.00 72.20 H new ATOM 0 HB2 LYS A 54 15.662 5.635 -22.790 1.00 21.24 H new ATOM 0 HB3 LYS A 54 15.217 4.402 -21.626 1.00 21.24 H new ATOM 0 HG2 LYS A 54 14.525 2.920 -23.549 1.00 3.35 H new ATOM 0 HG3 LYS A 54 15.134 4.137 -24.653 1.00 3.35 H new ATOM 0 HD2 LYS A 54 17.065 3.419 -22.536 1.00 63.54 H new ATOM 0 HD3 LYS A 54 16.615 2.060 -23.547 1.00 63.54 H new ATOM 0 HE2 LYS A 54 18.604 3.341 -24.397 1.00 54.43 H new ATOM 0 HE3 LYS A 54 17.299 3.209 -25.559 1.00 54.43 H new ATOM 0 HZ1 LYS A 54 18.367 5.472 -25.261 1.00 34.42 H new ATOM 0 HZ2 LYS A 54 16.670 5.425 -25.221 1.00 34.42 H new ATOM 0 HZ3 LYS A 54 17.549 5.566 -23.775 1.00 34.42 H new ATOM 893 N GLU A 55 12.611 4.823 -24.812 1.00 71.44 N ATOM 894 CA GLU A 55 12.199 5.119 -26.179 1.00 44.54 C ATOM 895 C GLU A 55 11.047 6.120 -26.195 1.00 14.03 C ATOM 896 O GLU A 55 11.020 7.039 -27.012 1.00 11.52 O ATOM 897 CB GLU A 55 11.785 3.836 -26.900 1.00 65.33 C ATOM 898 CG GLU A 55 12.947 2.900 -27.194 1.00 53.31 C ATOM 899 CD GLU A 55 12.600 1.847 -28.229 1.00 22.15 C ATOM 900 OE1 GLU A 55 11.440 1.386 -28.239 1.00 34.23 O ATOM 901 OE2 GLU A 55 13.488 1.484 -29.027 1.00 24.10 O ATOM 0 H GLU A 55 12.440 3.861 -24.519 1.00 71.44 H new ATOM 0 HA GLU A 55 13.049 5.561 -26.700 1.00 44.54 H new ATOM 0 HB2 GLU A 55 11.050 3.309 -26.292 1.00 65.33 H new ATOM 0 HB3 GLU A 55 11.295 4.098 -27.837 1.00 65.33 H new ATOM 0 HG2 GLU A 55 13.798 3.483 -27.545 1.00 53.31 H new ATOM 0 HG3 GLU A 55 13.256 2.409 -26.271 1.00 53.31 H new ATOM 908 N GLY A 56 10.095 5.932 -25.286 1.00 22.31 N ATOM 909 CA GLY A 56 8.952 6.824 -25.213 1.00 23.23 C ATOM 910 C GLY A 56 9.341 8.231 -24.805 1.00 33.03 C ATOM 911 O GLY A 56 8.792 9.207 -25.317 1.00 21.43 O ATOM 0 H GLY A 56 10.095 5.178 -24.599 1.00 22.31 H new ATOM 0 HA2 GLY A 56 8.456 6.854 -26.183 1.00 23.23 H new ATOM 0 HA3 GLY A 56 8.231 6.428 -24.498 1.00 23.23 H new ATOM 915 N CYS A 57 10.288 8.336 -23.878 1.00 45.33 N ATOM 916 CA CYS A 57 10.748 9.635 -23.399 1.00 74.04 C ATOM 917 C CYS A 57 11.372 10.443 -24.532 1.00 65.22 C ATOM 918 O CYS A 57 11.371 11.673 -24.504 1.00 55.52 O ATOM 919 CB CYS A 57 11.759 9.455 -22.267 1.00 23.04 C ATOM 920 SG CYS A 57 11.164 10.010 -20.651 1.00 41.02 S ATOM 0 H CYS A 57 10.752 7.538 -23.444 1.00 45.33 H new ATOM 0 HA CYS A 57 9.884 10.182 -23.021 1.00 74.04 H new ATOM 0 HB2 CYS A 57 12.030 8.401 -22.200 1.00 23.04 H new ATOM 0 HB3 CYS A 57 12.668 10.003 -22.515 1.00 23.04 H new ATOM 0 HG CYS A 57 12.088 9.815 -19.758 1.00 41.02 H new ATOM 926 N GLN A 58 11.908 9.741 -25.527 1.00 24.15 N ATOM 927 CA GLN A 58 12.540 10.393 -26.668 1.00 14.13 C ATOM 928 C GLN A 58 11.517 11.184 -27.477 1.00 33.03 C ATOM 929 O GLN A 58 11.858 12.162 -28.142 1.00 61.13 O ATOM 930 CB GLN A 58 13.223 9.356 -27.561 1.00 1.42 C ATOM 931 CG GLN A 58 14.731 9.525 -27.644 1.00 64.04 C ATOM 932 CD GLN A 58 15.176 10.167 -28.943 1.00 14.11 C ATOM 933 OE1 GLN A 58 15.398 11.377 -29.008 1.00 34.42 O ATOM 934 NE2 GLN A 58 15.308 9.359 -29.988 1.00 60.04 N ATOM 0 H GLN A 58 11.917 8.722 -25.565 1.00 24.15 H new ATOM 0 HA GLN A 58 13.291 11.086 -26.289 1.00 14.13 H new ATOM 0 HB2 GLN A 58 12.998 8.359 -27.184 1.00 1.42 H new ATOM 0 HB3 GLN A 58 12.803 9.420 -28.565 1.00 1.42 H new ATOM 0 HG2 GLN A 58 15.071 10.135 -26.807 1.00 64.04 H new ATOM 0 HG3 GLN A 58 15.208 8.550 -27.543 1.00 64.04 H new ATOM 0 HE21 GLN A 58 15.114 8.362 -29.890 1.00 60.04 H new ATOM 0 HE22 GLN A 58 15.604 9.735 -30.889 1.00 60.04 H new ATOM 943 N LYS A 59 10.261 10.754 -27.416 1.00 31.21 N ATOM 944 CA LYS A 59 9.187 11.420 -28.143 1.00 4.43 C ATOM 945 C LYS A 59 8.654 12.612 -27.352 1.00 34.45 C ATOM 946 O LYS A 59 8.029 13.511 -27.914 1.00 63.11 O ATOM 947 CB LYS A 59 8.052 10.437 -28.432 1.00 32.51 C ATOM 948 CG LYS A 59 7.314 10.724 -29.729 1.00 13.05 C ATOM 949 CD LYS A 59 6.188 9.730 -29.962 1.00 25.34 C ATOM 950 CE LYS A 59 4.876 10.226 -29.375 1.00 11.11 C ATOM 951 NZ LYS A 59 4.177 11.165 -30.295 1.00 3.43 N ATOM 0 H LYS A 59 9.962 9.946 -26.870 1.00 31.21 H new ATOM 0 HA LYS A 59 9.592 11.784 -29.087 1.00 4.43 H new ATOM 0 HB2 LYS A 59 8.459 9.427 -28.471 1.00 32.51 H new ATOM 0 HB3 LYS A 59 7.341 10.463 -27.606 1.00 32.51 H new ATOM 0 HG2 LYS A 59 6.908 11.735 -29.701 1.00 13.05 H new ATOM 0 HG3 LYS A 59 8.014 10.684 -30.563 1.00 13.05 H new ATOM 0 HD2 LYS A 59 6.068 9.559 -31.032 1.00 25.34 H new ATOM 0 HD3 LYS A 59 6.449 8.771 -29.514 1.00 25.34 H new ATOM 0 HE2 LYS A 59 4.228 9.375 -29.163 1.00 11.11 H new ATOM 0 HE3 LYS A 59 5.069 10.724 -28.425 1.00 11.11 H new ATOM 0 HZ1 LYS A 59 3.287 11.481 -29.859 1.00 3.43 H new ATOM 0 HZ2 LYS A 59 4.785 11.989 -30.477 1.00 3.43 H new ATOM 0 HZ3 LYS A 59 3.970 10.682 -31.193 1.00 3.43 H new ATOM 965 N ILE A 60 8.904 12.609 -26.047 1.00 61.01 N ATOM 966 CA ILE A 60 8.451 13.690 -25.181 1.00 3.44 C ATOM 967 C ILE A 60 9.461 14.832 -25.153 1.00 1.51 C ATOM 968 O ILE A 60 9.089 16.002 -25.049 1.00 64.22 O ATOM 969 CB ILE A 60 8.211 13.196 -23.742 1.00 43.11 C ATOM 970 CG1 ILE A 60 7.403 11.898 -23.754 1.00 31.05 C ATOM 971 CG2 ILE A 60 7.498 14.264 -22.928 1.00 0.55 C ATOM 972 CD1 ILE A 60 7.137 11.339 -22.373 1.00 21.24 C ATOM 0 H ILE A 60 9.418 11.870 -25.567 1.00 61.01 H new ATOM 0 HA ILE A 60 7.509 14.051 -25.594 1.00 3.44 H new ATOM 0 HB ILE A 60 9.176 12.996 -23.276 1.00 43.11 H new ATOM 0 HG12 ILE A 60 6.451 12.077 -24.254 1.00 31.05 H new ATOM 0 HG13 ILE A 60 7.937 11.152 -24.342 1.00 31.05 H new ATOM 0 HG21 ILE A 60 7.335 13.900 -21.913 1.00 0.55 H new ATOM 0 HG22 ILE A 60 8.109 15.166 -22.896 1.00 0.55 H new ATOM 0 HG23 ILE A 60 6.537 14.493 -23.390 1.00 0.55 H new ATOM 0 HD11 ILE A 60 6.559 10.419 -22.458 1.00 21.24 H new ATOM 0 HD12 ILE A 60 8.084 11.128 -21.877 1.00 21.24 H new ATOM 0 HD13 ILE A 60 6.575 12.067 -21.788 1.00 21.24 H new ATOM 984 N LEU A 61 10.740 14.487 -25.247 1.00 73.24 N ATOM 985 CA LEU A 61 11.805 15.483 -25.235 1.00 41.32 C ATOM 986 C LEU A 61 11.928 16.166 -26.594 1.00 10.10 C ATOM 987 O LEU A 61 12.296 17.338 -26.681 1.00 11.21 O ATOM 988 CB LEU A 61 13.136 14.831 -24.858 1.00 63.21 C ATOM 989 CG LEU A 61 13.256 14.337 -23.415 1.00 65.22 C ATOM 990 CD1 LEU A 61 14.498 13.476 -23.248 1.00 22.22 C ATOM 991 CD2 LEU A 61 13.287 15.513 -22.450 1.00 54.40 C ATOM 0 H LEU A 61 11.065 13.524 -25.332 1.00 73.24 H new ATOM 0 HA LEU A 61 11.553 16.238 -24.491 1.00 41.32 H new ATOM 0 HB2 LEU A 61 13.306 13.986 -25.526 1.00 63.21 H new ATOM 0 HB3 LEU A 61 13.935 15.549 -25.043 1.00 63.21 H new ATOM 0 HG LEU A 61 12.382 13.727 -23.186 1.00 65.22 H new ATOM 0 HD11 LEU A 61 14.567 13.134 -22.216 1.00 22.22 H new ATOM 0 HD12 LEU A 61 14.436 12.614 -23.913 1.00 22.22 H new ATOM 0 HD13 LEU A 61 15.383 14.062 -23.496 1.00 22.22 H new ATOM 0 HD21 LEU A 61 13.373 15.143 -21.428 1.00 54.40 H new ATOM 0 HD22 LEU A 61 14.142 16.149 -22.679 1.00 54.40 H new ATOM 0 HD23 LEU A 61 12.368 16.091 -22.551 1.00 54.40 H new ATOM 1003 N THR A 62 11.615 15.426 -27.653 1.00 31.14 N ATOM 1004 CA THR A 62 11.688 15.960 -29.007 1.00 64.43 C ATOM 1005 C THR A 62 10.650 17.053 -29.224 1.00 41.51 C ATOM 1006 O THR A 62 10.894 18.022 -29.945 1.00 21.23 O ATOM 1007 CB THR A 62 11.481 14.854 -30.059 1.00 24.52 C ATOM 1008 OG1 THR A 62 11.944 15.300 -31.339 1.00 2.45 O ATOM 1009 CG2 THR A 62 10.014 14.464 -30.152 1.00 51.43 C ATOM 0 H THR A 62 11.308 14.455 -27.599 1.00 31.14 H new ATOM 0 HA THR A 62 12.686 16.382 -29.126 1.00 64.43 H new ATOM 0 HB THR A 62 12.055 13.980 -29.751 1.00 24.52 H new ATOM 0 HG1 THR A 62 11.810 14.590 -32.001 1.00 2.45 H new ATOM 0 HG21 THR A 62 9.892 13.682 -30.901 1.00 51.43 H new ATOM 0 HG22 THR A 62 9.673 14.096 -29.184 1.00 51.43 H new ATOM 0 HG23 THR A 62 9.423 15.335 -30.437 1.00 51.43 H new ATOM 1017 N VAL A 63 9.489 16.894 -28.597 1.00 71.34 N ATOM 1018 CA VAL A 63 8.412 17.869 -28.721 1.00 10.24 C ATOM 1019 C VAL A 63 8.701 19.114 -27.889 1.00 45.35 C ATOM 1020 O VAL A 63 8.556 20.241 -28.367 1.00 72.44 O ATOM 1021 CB VAL A 63 7.062 17.274 -28.281 1.00 32.41 C ATOM 1022 CG1 VAL A 63 5.979 18.341 -28.289 1.00 53.23 C ATOM 1023 CG2 VAL A 63 6.678 16.105 -29.176 1.00 42.11 C ATOM 0 H VAL A 63 9.270 16.098 -27.997 1.00 71.34 H new ATOM 0 HA VAL A 63 8.353 18.143 -29.774 1.00 10.24 H new ATOM 0 HB VAL A 63 7.164 16.903 -27.261 1.00 32.41 H new ATOM 0 HG11 VAL A 63 5.032 17.901 -27.975 1.00 53.23 H new ATOM 0 HG12 VAL A 63 6.252 19.142 -27.602 1.00 53.23 H new ATOM 0 HG13 VAL A 63 5.875 18.746 -29.296 1.00 53.23 H new ATOM 0 HG21 VAL A 63 5.721 15.697 -28.851 1.00 42.11 H new ATOM 0 HG22 VAL A 63 6.594 16.448 -30.207 1.00 42.11 H new ATOM 0 HG23 VAL A 63 7.443 15.331 -29.112 1.00 42.11 H new ATOM 1033 N LEU A 64 9.111 18.905 -26.644 1.00 12.33 N ATOM 1034 CA LEU A 64 9.421 20.011 -25.745 1.00 5.14 C ATOM 1035 C LEU A 64 10.774 20.627 -26.085 1.00 42.14 C ATOM 1036 O LEU A 64 11.105 21.718 -25.623 1.00 44.20 O ATOM 1037 CB LEU A 64 9.419 19.530 -24.292 1.00 13.31 C ATOM 1038 CG LEU A 64 8.224 18.673 -23.872 1.00 22.33 C ATOM 1039 CD1 LEU A 64 8.581 17.817 -22.666 1.00 33.22 C ATOM 1040 CD2 LEU A 64 7.019 19.549 -23.568 1.00 42.32 C ATOM 0 H LEU A 64 9.237 17.980 -26.233 1.00 12.33 H new ATOM 0 HA LEU A 64 8.653 20.774 -25.871 1.00 5.14 H new ATOM 0 HB2 LEU A 64 10.330 18.958 -24.118 1.00 13.31 H new ATOM 0 HB3 LEU A 64 9.462 20.403 -23.641 1.00 13.31 H new ATOM 0 HG LEU A 64 7.966 18.012 -24.699 1.00 22.33 H new ATOM 0 HD11 LEU A 64 7.719 17.213 -22.380 1.00 33.22 H new ATOM 0 HD12 LEU A 64 9.415 17.162 -22.919 1.00 33.22 H new ATOM 0 HD13 LEU A 64 8.865 18.461 -21.834 1.00 33.22 H new ATOM 0 HD21 LEU A 64 6.179 18.922 -23.271 1.00 42.32 H new ATOM 0 HD22 LEU A 64 7.264 20.236 -22.757 1.00 42.32 H new ATOM 0 HD23 LEU A 64 6.750 20.119 -24.457 1.00 42.32 H new ATOM 1052 N ASP A 65 11.551 19.921 -26.900 1.00 32.23 N ATOM 1053 CA ASP A 65 12.868 20.400 -27.306 1.00 72.11 C ATOM 1054 C ASP A 65 12.771 21.785 -27.936 1.00 11.32 C ATOM 1055 O ASP A 65 13.324 22.763 -27.431 1.00 42.55 O ATOM 1056 CB ASP A 65 13.507 19.421 -28.292 1.00 51.44 C ATOM 1057 CG ASP A 65 14.705 18.703 -27.701 1.00 54.11 C ATOM 1058 OD1 ASP A 65 15.634 19.389 -27.229 1.00 44.11 O ATOM 1059 OD2 ASP A 65 14.711 17.454 -27.712 1.00 22.14 O ATOM 0 H ASP A 65 11.292 19.016 -27.292 1.00 32.23 H new ATOM 0 HA ASP A 65 13.494 20.469 -26.416 1.00 72.11 H new ATOM 0 HB2 ASP A 65 12.764 18.687 -28.603 1.00 51.44 H new ATOM 0 HB3 ASP A 65 13.816 19.961 -29.187 1.00 51.44 H new ATOM 1064 N PRO A 66 12.053 21.874 -29.065 1.00 50.43 N ATOM 1065 CA PRO A 66 11.867 23.136 -29.788 1.00 42.30 C ATOM 1066 C PRO A 66 10.977 24.114 -29.029 1.00 34.32 C ATOM 1067 O PRO A 66 10.843 25.274 -29.416 1.00 50.33 O ATOM 1068 CB PRO A 66 11.194 22.702 -31.093 1.00 33.23 C ATOM 1069 CG PRO A 66 10.506 21.424 -30.756 1.00 62.24 C ATOM 1070 CD PRO A 66 11.366 20.750 -29.723 1.00 20.23 C ATOM 0 HA PRO A 66 12.809 23.664 -29.934 1.00 42.30 H new ATOM 0 HB2 PRO A 66 10.486 23.453 -31.442 1.00 33.23 H new ATOM 0 HB3 PRO A 66 11.926 22.560 -31.888 1.00 33.23 H new ATOM 0 HG2 PRO A 66 9.504 21.611 -30.368 1.00 62.24 H new ATOM 0 HG3 PRO A 66 10.394 20.796 -31.640 1.00 62.24 H new ATOM 0 HD2 PRO A 66 10.768 20.175 -29.016 1.00 20.23 H new ATOM 0 HD3 PRO A 66 12.074 20.058 -30.179 1.00 20.23 H new ATOM 1078 N MET A 67 10.372 23.638 -27.946 1.00 13.00 N ATOM 1079 CA MET A 67 9.495 24.472 -27.132 1.00 1.02 C ATOM 1080 C MET A 67 10.292 25.219 -26.068 1.00 14.34 C ATOM 1081 O MET A 67 9.853 26.252 -25.562 1.00 2.31 O ATOM 1082 CB MET A 67 8.412 23.617 -26.469 1.00 65.03 C ATOM 1083 CG MET A 67 7.000 24.097 -26.757 1.00 34.20 C ATOM 1084 SD MET A 67 6.539 23.901 -28.489 1.00 72.14 S ATOM 1085 CE MET A 67 4.854 23.312 -28.327 1.00 43.41 C ATOM 0 H MET A 67 10.473 22.680 -27.612 1.00 13.00 H new ATOM 0 HA MET A 67 9.020 25.203 -27.786 1.00 1.02 H new ATOM 0 HB2 MET A 67 8.514 22.587 -26.811 1.00 65.03 H new ATOM 0 HB3 MET A 67 8.573 23.613 -25.391 1.00 65.03 H new ATOM 0 HG2 MET A 67 6.298 23.543 -26.133 1.00 34.20 H new ATOM 0 HG3 MET A 67 6.914 25.147 -26.479 1.00 34.20 H new ATOM 0 HE1 MET A 67 4.431 23.144 -29.317 1.00 43.41 H new ATOM 0 HE2 MET A 67 4.848 22.377 -27.766 1.00 43.41 H new ATOM 0 HE3 MET A 67 4.258 24.056 -27.799 1.00 43.41 H new ATOM 1095 N VAL A 68 11.464 24.690 -25.730 1.00 53.11 N ATOM 1096 CA VAL A 68 12.321 25.309 -24.726 1.00 71.23 C ATOM 1097 C VAL A 68 12.562 26.781 -25.041 1.00 23.43 C ATOM 1098 O VAL A 68 12.280 27.668 -24.234 1.00 74.31 O ATOM 1099 CB VAL A 68 13.679 24.587 -24.627 1.00 35.01 C ATOM 1100 CG1 VAL A 68 14.758 25.545 -24.148 1.00 43.41 C ATOM 1101 CG2 VAL A 68 13.575 23.383 -23.702 1.00 74.15 C ATOM 0 H VAL A 68 11.841 23.834 -26.137 1.00 53.11 H new ATOM 0 HA VAL A 68 11.802 25.226 -23.771 1.00 71.23 H new ATOM 0 HB VAL A 68 13.956 24.232 -25.619 1.00 35.01 H new ATOM 0 HG11 VAL A 68 15.710 25.018 -24.084 1.00 43.41 H new ATOM 0 HG12 VAL A 68 14.848 26.373 -24.851 1.00 43.41 H new ATOM 0 HG13 VAL A 68 14.491 25.932 -23.165 1.00 43.41 H new ATOM 0 HG21 VAL A 68 14.543 22.885 -23.643 1.00 74.15 H new ATOM 0 HG22 VAL A 68 13.276 23.713 -22.707 1.00 74.15 H new ATOM 0 HG23 VAL A 68 12.832 22.688 -24.092 1.00 74.15 H new ATOM 1111 N PRO A 69 13.097 27.050 -26.241 1.00 41.20 N ATOM 1112 CA PRO A 69 13.387 28.415 -26.690 1.00 73.32 C ATOM 1113 C PRO A 69 12.120 29.216 -26.965 1.00 53.25 C ATOM 1114 O PRO A 69 12.181 30.373 -27.384 1.00 63.50 O ATOM 1115 CB PRO A 69 14.177 28.202 -27.984 1.00 72.23 C ATOM 1116 CG PRO A 69 13.741 26.866 -28.478 1.00 74.21 C ATOM 1117 CD PRO A 69 13.458 26.043 -27.252 1.00 33.52 C ATOM 0 HA PRO A 69 13.926 28.987 -25.935 1.00 73.32 H new ATOM 0 HB2 PRO A 69 13.961 28.983 -28.713 1.00 72.23 H new ATOM 0 HB3 PRO A 69 15.251 28.225 -27.800 1.00 72.23 H new ATOM 0 HG2 PRO A 69 12.853 26.952 -29.104 1.00 74.21 H new ATOM 0 HG3 PRO A 69 14.517 26.403 -29.088 1.00 74.21 H new ATOM 0 HD2 PRO A 69 12.647 25.335 -27.422 1.00 33.52 H new ATOM 0 HD3 PRO A 69 14.329 25.463 -26.948 1.00 33.52 H new ATOM 1125 N THR A 70 10.968 28.594 -26.729 1.00 61.02 N ATOM 1126 CA THR A 70 9.686 29.250 -26.952 1.00 14.12 C ATOM 1127 C THR A 70 8.569 28.547 -26.189 1.00 21.20 C ATOM 1128 O THR A 70 7.614 28.050 -26.785 1.00 3.30 O ATOM 1129 CB THR A 70 9.327 29.284 -28.450 1.00 15.53 C ATOM 1130 OG1 THR A 70 8.018 29.838 -28.626 1.00 13.01 O ATOM 1131 CG2 THR A 70 9.377 27.888 -29.051 1.00 53.22 C ATOM 0 H THR A 70 10.898 27.637 -26.384 1.00 61.02 H new ATOM 0 HA THR A 70 9.785 30.272 -26.586 1.00 14.12 H new ATOM 0 HB THR A 70 10.059 29.909 -28.963 1.00 15.53 H new ATOM 0 HG1 THR A 70 7.358 29.264 -28.185 1.00 13.01 H new ATOM 0 HG21 THR A 70 9.120 27.938 -30.109 1.00 53.22 H new ATOM 0 HG22 THR A 70 10.382 27.480 -28.941 1.00 53.22 H new ATOM 0 HG23 THR A 70 8.665 27.244 -28.535 1.00 53.22 H new ATOM 1139 N GLY A 71 8.695 28.508 -24.866 1.00 50.34 N ATOM 1140 CA GLY A 71 7.689 27.864 -24.043 1.00 75.11 C ATOM 1141 C GLY A 71 7.634 28.434 -22.639 1.00 51.35 C ATOM 1142 O GLY A 71 8.663 28.798 -22.070 1.00 71.44 O ATOM 0 H GLY A 71 9.477 28.911 -24.350 1.00 50.34 H new ATOM 0 HA2 GLY A 71 6.713 27.975 -24.515 1.00 75.11 H new ATOM 0 HA3 GLY A 71 7.898 26.795 -23.990 1.00 75.11 H new ATOM 1146 N SER A 72 6.430 28.516 -22.082 1.00 4.01 N ATOM 1147 CA SER A 72 6.245 29.052 -20.738 1.00 61.31 C ATOM 1148 C SER A 72 7.219 28.406 -19.757 1.00 50.24 C ATOM 1149 O SER A 72 7.848 27.395 -20.066 1.00 43.15 O ATOM 1150 CB SER A 72 4.806 28.826 -20.270 1.00 65.43 C ATOM 1151 OG SER A 72 4.695 27.623 -19.530 1.00 13.30 O ATOM 0 H SER A 72 5.569 28.218 -22.540 1.00 4.01 H new ATOM 0 HA SER A 72 6.445 30.123 -20.769 1.00 61.31 H new ATOM 0 HB2 SER A 72 4.484 29.666 -19.655 1.00 65.43 H new ATOM 0 HB3 SER A 72 4.141 28.789 -21.133 1.00 65.43 H new ATOM 0 HG SER A 72 3.767 27.501 -19.241 1.00 13.30 H new ATOM 1157 N GLU A 73 7.336 28.999 -18.574 1.00 1.54 N ATOM 1158 CA GLU A 73 8.233 28.483 -17.546 1.00 62.04 C ATOM 1159 C GLU A 73 7.853 27.057 -17.158 1.00 75.33 C ATOM 1160 O GLU A 73 8.707 26.176 -17.077 1.00 35.42 O ATOM 1161 CB GLU A 73 8.204 29.384 -16.311 1.00 1.44 C ATOM 1162 CG GLU A 73 9.471 29.315 -15.475 1.00 23.41 C ATOM 1163 CD GLU A 73 9.706 30.575 -14.665 1.00 60.44 C ATOM 1164 OE1 GLU A 73 10.020 31.620 -15.272 1.00 63.51 O ATOM 1165 OE2 GLU A 73 9.576 30.516 -13.424 1.00 41.34 O ATOM 0 H GLU A 73 6.821 29.837 -18.303 1.00 1.54 H new ATOM 0 HA GLU A 73 9.243 28.473 -17.955 1.00 62.04 H new ATOM 0 HB2 GLU A 73 8.044 30.415 -16.628 1.00 1.44 H new ATOM 0 HB3 GLU A 73 7.353 29.106 -15.689 1.00 1.44 H new ATOM 0 HG2 GLU A 73 9.411 28.460 -14.801 1.00 23.41 H new ATOM 0 HG3 GLU A 73 10.325 29.144 -16.130 1.00 23.41 H new ATOM 1172 N ASN A 74 6.564 26.839 -16.919 1.00 53.23 N ATOM 1173 CA ASN A 74 6.068 25.521 -16.539 1.00 5.12 C ATOM 1174 C ASN A 74 6.522 24.461 -17.536 1.00 63.30 C ATOM 1175 O ASN A 74 6.744 23.304 -17.173 1.00 10.32 O ATOM 1176 CB ASN A 74 4.541 25.533 -16.449 1.00 40.24 C ATOM 1177 CG ASN A 74 4.045 25.981 -15.088 1.00 53.20 C ATOM 1178 OD1 ASN A 74 4.762 26.648 -14.341 1.00 75.42 O ATOM 1179 ND2 ASN A 74 2.811 25.615 -14.759 1.00 1.24 N ATOM 0 H ASN A 74 5.844 27.558 -16.982 1.00 53.23 H new ATOM 0 HA ASN A 74 6.480 25.274 -15.561 1.00 5.12 H new ATOM 0 HB2 ASN A 74 4.140 26.197 -17.215 1.00 40.24 H new ATOM 0 HB3 ASN A 74 4.160 24.534 -16.661 1.00 40.24 H new ATOM 0 HD21 ASN A 74 2.422 25.887 -13.856 1.00 1.24 H new ATOM 0 HD22 ASN A 74 2.252 25.062 -15.409 1.00 1.24 H new ATOM 1186 N LEU A 75 6.660 24.861 -18.796 1.00 23.44 N ATOM 1187 CA LEU A 75 7.089 23.945 -19.847 1.00 42.42 C ATOM 1188 C LEU A 75 8.571 23.610 -19.706 1.00 41.24 C ATOM 1189 O LEU A 75 9.000 22.500 -20.022 1.00 53.11 O ATOM 1190 CB LEU A 75 6.822 24.557 -21.223 1.00 10.22 C ATOM 1191 CG LEU A 75 7.287 23.734 -22.425 1.00 32.02 C ATOM 1192 CD1 LEU A 75 6.297 23.859 -23.573 1.00 1.41 C ATOM 1193 CD2 LEU A 75 8.675 24.172 -22.866 1.00 64.21 C ATOM 0 H LEU A 75 6.481 25.813 -19.114 1.00 23.44 H new ATOM 0 HA LEU A 75 6.516 23.023 -19.748 1.00 42.42 H new ATOM 0 HB2 LEU A 75 5.750 24.731 -21.320 1.00 10.22 H new ATOM 0 HB3 LEU A 75 7.308 25.532 -21.265 1.00 10.22 H new ATOM 0 HG LEU A 75 7.336 22.687 -22.127 1.00 32.02 H new ATOM 0 HD11 LEU A 75 6.645 23.267 -24.419 1.00 1.41 H new ATOM 0 HD12 LEU A 75 5.321 23.496 -23.253 1.00 1.41 H new ATOM 0 HD13 LEU A 75 6.215 24.904 -23.871 1.00 1.41 H new ATOM 0 HD21 LEU A 75 8.990 23.576 -23.722 1.00 64.21 H new ATOM 0 HD22 LEU A 75 8.652 25.225 -23.146 1.00 64.21 H new ATOM 0 HD23 LEU A 75 9.379 24.030 -22.046 1.00 64.21 H new ATOM 1205 N LYS A 76 9.347 24.576 -19.227 1.00 62.33 N ATOM 1206 CA LYS A 76 10.781 24.383 -19.041 1.00 14.23 C ATOM 1207 C LYS A 76 11.054 23.354 -17.948 1.00 0.13 C ATOM 1208 O LYS A 76 11.988 22.560 -18.050 1.00 35.54 O ATOM 1209 CB LYS A 76 11.453 25.711 -18.684 1.00 13.01 C ATOM 1210 CG LYS A 76 12.133 26.384 -19.863 1.00 2.01 C ATOM 1211 CD LYS A 76 11.694 27.831 -20.009 1.00 43.22 C ATOM 1212 CE LYS A 76 12.192 28.436 -21.313 1.00 62.11 C ATOM 1213 NZ LYS A 76 13.291 29.414 -21.086 1.00 44.23 N ATOM 0 H LYS A 76 9.008 25.500 -18.960 1.00 62.33 H new ATOM 0 HA LYS A 76 11.197 24.012 -19.978 1.00 14.23 H new ATOM 0 HB2 LYS A 76 10.705 26.388 -18.272 1.00 13.01 H new ATOM 0 HB3 LYS A 76 12.191 25.536 -17.901 1.00 13.01 H new ATOM 0 HG2 LYS A 76 13.214 26.342 -19.733 1.00 2.01 H new ATOM 0 HG3 LYS A 76 11.901 25.839 -20.778 1.00 2.01 H new ATOM 0 HD2 LYS A 76 10.606 27.888 -19.973 1.00 43.22 H new ATOM 0 HD3 LYS A 76 12.072 28.413 -19.169 1.00 43.22 H new ATOM 0 HE2 LYS A 76 12.543 27.641 -21.971 1.00 62.11 H new ATOM 0 HE3 LYS A 76 11.365 28.930 -21.823 1.00 62.11 H new ATOM 0 HZ1 LYS A 76 13.603 29.804 -21.998 1.00 44.23 H new ATOM 0 HZ2 LYS A 76 12.949 30.186 -20.479 1.00 44.23 H new ATOM 0 HZ3 LYS A 76 14.090 28.937 -20.622 1.00 44.23 H new ATOM 1227 N SER A 77 10.231 23.374 -16.904 1.00 10.30 N ATOM 1228 CA SER A 77 10.386 22.444 -15.791 1.00 53.43 C ATOM 1229 C SER A 77 10.146 21.007 -16.247 1.00 44.51 C ATOM 1230 O SER A 77 10.903 20.099 -15.898 1.00 55.04 O ATOM 1231 CB SER A 77 9.417 22.801 -14.662 1.00 11.11 C ATOM 1232 OG SER A 77 9.669 24.105 -14.168 1.00 51.24 O ATOM 0 H SER A 77 9.451 24.023 -16.806 1.00 10.30 H new ATOM 0 HA SER A 77 11.408 22.524 -15.422 1.00 53.43 H new ATOM 0 HB2 SER A 77 8.391 22.738 -15.025 1.00 11.11 H new ATOM 0 HB3 SER A 77 9.514 22.077 -13.853 1.00 11.11 H new ATOM 0 HG SER A 77 9.036 24.310 -13.449 1.00 51.24 H new ATOM 1238 N LEU A 78 9.090 20.809 -17.028 1.00 4.35 N ATOM 1239 CA LEU A 78 8.750 19.483 -17.532 1.00 14.50 C ATOM 1240 C LEU A 78 9.893 18.905 -18.359 1.00 24.44 C ATOM 1241 O LEU A 78 10.331 17.778 -18.130 1.00 31.21 O ATOM 1242 CB LEU A 78 7.476 19.550 -18.378 1.00 4.22 C ATOM 1243 CG LEU A 78 6.830 18.208 -18.723 1.00 32.01 C ATOM 1244 CD1 LEU A 78 6.180 17.596 -17.492 1.00 21.52 C ATOM 1245 CD2 LEU A 78 5.807 18.380 -19.837 1.00 22.43 C ATOM 0 H LEU A 78 8.455 21.549 -17.326 1.00 4.35 H new ATOM 0 HA LEU A 78 8.578 18.829 -16.677 1.00 14.50 H new ATOM 0 HB2 LEU A 78 6.743 20.158 -17.848 1.00 4.22 H new ATOM 0 HB3 LEU A 78 7.708 20.069 -19.308 1.00 4.22 H new ATOM 0 HG LEU A 78 7.609 17.531 -19.072 1.00 32.01 H new ATOM 0 HD11 LEU A 78 5.726 16.641 -17.757 1.00 21.52 H new ATOM 0 HD12 LEU A 78 6.936 17.437 -16.723 1.00 21.52 H new ATOM 0 HD13 LEU A 78 5.412 18.270 -17.113 1.00 21.52 H new ATOM 0 HD21 LEU A 78 5.357 17.415 -20.070 1.00 22.43 H new ATOM 0 HD22 LEU A 78 5.031 19.074 -19.514 1.00 22.43 H new ATOM 0 HD23 LEU A 78 6.300 18.775 -20.726 1.00 22.43 H new ATOM 1257 N PHE A 79 10.375 19.686 -19.321 1.00 1.13 N ATOM 1258 CA PHE A 79 11.470 19.252 -20.181 1.00 73.22 C ATOM 1259 C PHE A 79 12.692 18.865 -19.354 1.00 23.15 C ATOM 1260 O PHE A 79 13.315 17.832 -19.592 1.00 31.24 O ATOM 1261 CB PHE A 79 11.839 20.359 -21.170 1.00 52.41 C ATOM 1262 CG PHE A 79 12.943 19.977 -22.113 1.00 75.45 C ATOM 1263 CD1 PHE A 79 12.782 18.923 -22.998 1.00 71.14 C ATOM 1264 CD2 PHE A 79 14.142 20.671 -22.116 1.00 31.54 C ATOM 1265 CE1 PHE A 79 13.797 18.568 -23.868 1.00 53.44 C ATOM 1266 CE2 PHE A 79 15.160 20.321 -22.984 1.00 13.25 C ATOM 1267 CZ PHE A 79 14.987 19.268 -23.860 1.00 74.31 C ATOM 0 H PHE A 79 10.025 20.622 -19.524 1.00 1.13 H new ATOM 0 HA PHE A 79 11.137 18.375 -20.736 1.00 73.22 H new ATOM 0 HB2 PHE A 79 10.955 20.628 -21.748 1.00 52.41 H new ATOM 0 HB3 PHE A 79 12.138 21.247 -20.614 1.00 52.41 H new ATOM 0 HD1 PHE A 79 11.853 18.372 -23.009 1.00 71.14 H new ATOM 0 HD2 PHE A 79 14.283 21.495 -21.432 1.00 31.54 H new ATOM 0 HE1 PHE A 79 13.659 17.744 -24.553 1.00 53.44 H new ATOM 0 HE2 PHE A 79 16.090 20.871 -22.977 1.00 13.25 H new ATOM 0 HZ PHE A 79 15.781 18.992 -24.538 1.00 74.31 H new ATOM 1277 N ASN A 80 13.029 19.705 -18.379 1.00 22.23 N ATOM 1278 CA ASN A 80 14.177 19.453 -17.516 1.00 32.14 C ATOM 1279 C ASN A 80 13.978 18.176 -16.705 1.00 2.14 C ATOM 1280 O ASN A 80 14.935 17.461 -16.404 1.00 42.22 O ATOM 1281 CB ASN A 80 14.405 20.637 -16.575 1.00 53.41 C ATOM 1282 CG ASN A 80 15.269 21.715 -17.201 1.00 62.01 C ATOM 1283 OD1 ASN A 80 16.282 21.422 -17.837 1.00 72.11 O ATOM 1284 ND2 ASN A 80 14.873 22.969 -17.022 1.00 44.13 N ATOM 0 H ASN A 80 12.523 20.565 -18.168 1.00 22.23 H new ATOM 0 HA ASN A 80 15.055 19.327 -18.150 1.00 32.14 H new ATOM 0 HB2 ASN A 80 13.443 21.064 -16.293 1.00 53.41 H new ATOM 0 HB3 ASN A 80 14.877 20.283 -15.658 1.00 53.41 H new ATOM 0 HD21 ASN A 80 15.415 23.737 -17.419 1.00 44.13 H new ATOM 0 HD22 ASN A 80 14.027 23.165 -16.488 1.00 44.13 H new ATOM 1291 N THR A 81 12.727 17.894 -16.352 1.00 61.13 N ATOM 1292 CA THR A 81 12.402 16.704 -15.576 1.00 41.42 C ATOM 1293 C THR A 81 12.449 15.452 -16.443 1.00 61.22 C ATOM 1294 O THR A 81 12.951 14.411 -16.020 1.00 30.53 O ATOM 1295 CB THR A 81 11.006 16.818 -14.934 1.00 30.35 C ATOM 1296 OG1 THR A 81 10.952 17.966 -14.079 1.00 24.52 O ATOM 1297 CG2 THR A 81 10.676 15.567 -14.133 1.00 1.44 C ATOM 0 H THR A 81 11.923 18.474 -16.592 1.00 61.13 H new ATOM 0 HA THR A 81 13.152 16.625 -14.789 1.00 41.42 H new ATOM 0 HB THR A 81 10.271 16.925 -15.732 1.00 30.35 H new ATOM 0 HG1 THR A 81 10.933 18.780 -14.625 1.00 24.52 H new ATOM 0 HG21 THR A 81 9.686 15.670 -13.689 1.00 1.44 H new ATOM 0 HG22 THR A 81 10.690 14.699 -14.792 1.00 1.44 H new ATOM 0 HG23 THR A 81 11.416 15.435 -13.343 1.00 1.44 H new ATOM 1305 N VAL A 82 11.923 15.558 -17.659 1.00 3.53 N ATOM 1306 CA VAL A 82 11.907 14.435 -18.587 1.00 31.42 C ATOM 1307 C VAL A 82 13.321 13.950 -18.888 1.00 45.30 C ATOM 1308 O VAL A 82 13.590 12.748 -18.885 1.00 2.40 O ATOM 1309 CB VAL A 82 11.212 14.808 -19.910 1.00 41.13 C ATOM 1310 CG1 VAL A 82 11.236 13.634 -20.877 1.00 4.12 C ATOM 1311 CG2 VAL A 82 9.786 15.267 -19.651 1.00 54.12 C ATOM 0 H VAL A 82 11.502 16.412 -18.024 1.00 3.53 H new ATOM 0 HA VAL A 82 11.346 13.635 -18.104 1.00 31.42 H new ATOM 0 HB VAL A 82 11.758 15.634 -20.366 1.00 41.13 H new ATOM 0 HG11 VAL A 82 10.740 13.917 -21.806 1.00 4.12 H new ATOM 0 HG12 VAL A 82 12.269 13.357 -21.087 1.00 4.12 H new ATOM 0 HG13 VAL A 82 10.716 12.786 -20.432 1.00 4.12 H new ATOM 0 HG21 VAL A 82 9.310 15.527 -20.597 1.00 54.12 H new ATOM 0 HG22 VAL A 82 9.227 14.464 -19.172 1.00 54.12 H new ATOM 0 HG23 VAL A 82 9.798 16.140 -18.999 1.00 54.12 H new ATOM 1321 N CYS A 83 14.221 14.892 -19.146 1.00 10.33 N ATOM 1322 CA CYS A 83 15.609 14.562 -19.449 1.00 63.31 C ATOM 1323 C CYS A 83 16.218 13.708 -18.342 1.00 71.22 C ATOM 1324 O CYS A 83 17.136 12.923 -18.583 1.00 34.45 O ATOM 1325 CB CYS A 83 16.431 15.838 -19.635 1.00 13.24 C ATOM 1326 SG CYS A 83 16.451 16.461 -21.332 1.00 4.11 S ATOM 0 H CYS A 83 14.014 15.891 -19.151 1.00 10.33 H new ATOM 0 HA CYS A 83 15.626 13.990 -20.377 1.00 63.31 H new ATOM 0 HB2 CYS A 83 16.033 16.613 -18.979 1.00 13.24 H new ATOM 0 HB3 CYS A 83 17.456 15.647 -19.317 1.00 13.24 H new ATOM 0 HG CYS A 83 17.678 16.694 -21.694 1.00 4.11 H new ATOM 1332 N VAL A 84 15.704 13.867 -17.127 1.00 14.43 N ATOM 1333 CA VAL A 84 16.197 13.111 -15.982 1.00 71.13 C ATOM 1334 C VAL A 84 15.715 11.665 -16.028 1.00 74.04 C ATOM 1335 O VAL A 84 16.479 10.736 -15.768 1.00 23.12 O ATOM 1336 CB VAL A 84 15.749 13.748 -14.653 1.00 73.11 C ATOM 1337 CG1 VAL A 84 16.236 12.920 -13.473 1.00 14.21 C ATOM 1338 CG2 VAL A 84 16.250 15.180 -14.553 1.00 52.34 C ATOM 0 H VAL A 84 14.945 14.513 -16.910 1.00 14.43 H new ATOM 0 HA VAL A 84 17.285 13.130 -16.036 1.00 71.13 H new ATOM 0 HB VAL A 84 14.659 13.766 -14.628 1.00 73.11 H new ATOM 0 HG11 VAL A 84 15.910 13.385 -12.543 1.00 14.21 H new ATOM 0 HG12 VAL A 84 15.823 11.914 -13.540 1.00 14.21 H new ATOM 0 HG13 VAL A 84 17.325 12.867 -13.490 1.00 14.21 H new ATOM 0 HG21 VAL A 84 15.924 15.614 -13.608 1.00 52.34 H new ATOM 0 HG22 VAL A 84 17.339 15.189 -14.600 1.00 52.34 H new ATOM 0 HG23 VAL A 84 15.847 15.765 -15.379 1.00 52.34 H new ATOM 1348 N ILE A 85 14.441 11.483 -16.362 1.00 62.43 N ATOM 1349 CA ILE A 85 13.858 10.149 -16.445 1.00 2.52 C ATOM 1350 C ILE A 85 14.566 9.303 -17.497 1.00 43.34 C ATOM 1351 O ILE A 85 14.935 8.157 -17.241 1.00 2.22 O ATOM 1352 CB ILE A 85 12.356 10.213 -16.779 1.00 53.04 C ATOM 1353 CG1 ILE A 85 11.601 10.984 -15.693 1.00 42.44 C ATOM 1354 CG2 ILE A 85 11.787 8.810 -16.932 1.00 10.12 C ATOM 1355 CD1 ILE A 85 11.502 10.238 -14.382 1.00 10.13 C ATOM 0 H ILE A 85 13.794 12.241 -16.579 1.00 62.43 H new ATOM 0 HA ILE A 85 13.986 9.687 -15.466 1.00 2.52 H new ATOM 0 HB ILE A 85 12.232 10.740 -17.725 1.00 53.04 H new ATOM 0 HG12 ILE A 85 12.100 11.938 -15.522 1.00 42.44 H new ATOM 0 HG13 ILE A 85 10.596 11.209 -16.050 1.00 42.44 H new ATOM 0 HG21 ILE A 85 10.725 8.872 -17.168 1.00 10.12 H new ATOM 0 HG22 ILE A 85 12.308 8.292 -17.737 1.00 10.12 H new ATOM 0 HG23 ILE A 85 11.920 8.260 -16.001 1.00 10.12 H new ATOM 0 HD11 ILE A 85 10.955 10.843 -13.659 1.00 10.13 H new ATOM 0 HD12 ILE A 85 10.976 9.296 -14.538 1.00 10.13 H new ATOM 0 HD13 ILE A 85 12.503 10.036 -14.002 1.00 10.13 H new ATOM 1367 N TRP A 86 14.754 9.876 -18.681 1.00 2.23 N ATOM 1368 CA TRP A 86 15.420 9.175 -19.772 1.00 1.12 C ATOM 1369 C TRP A 86 16.806 8.700 -19.349 1.00 4.32 C ATOM 1370 O TRP A 86 17.164 7.540 -19.554 1.00 0.14 O ATOM 1371 CB TRP A 86 15.530 10.084 -20.998 1.00 22.31 C ATOM 1372 CG TRP A 86 16.108 9.395 -22.197 1.00 44.15 C ATOM 1373 CD1 TRP A 86 15.416 8.831 -23.231 1.00 2.11 C ATOM 1374 CD2 TRP A 86 17.496 9.197 -22.486 1.00 4.34 C ATOM 1375 NE1 TRP A 86 16.291 8.294 -24.145 1.00 13.44 N ATOM 1376 CE2 TRP A 86 17.572 8.507 -23.711 1.00 64.55 C ATOM 1377 CE3 TRP A 86 18.682 9.539 -21.830 1.00 61.54 C ATOM 1378 CZ2 TRP A 86 18.788 8.151 -24.290 1.00 44.11 C ATOM 1379 CZ3 TRP A 86 19.888 9.185 -22.406 1.00 34.44 C ATOM 1380 CH2 TRP A 86 19.933 8.497 -23.626 1.00 0.10 C ATOM 0 H TRP A 86 14.454 10.824 -18.909 1.00 2.23 H new ATOM 0 HA TRP A 86 14.821 8.302 -20.029 1.00 1.12 H new ATOM 0 HB2 TRP A 86 14.540 10.465 -21.249 1.00 22.31 H new ATOM 0 HB3 TRP A 86 16.150 10.945 -20.749 1.00 22.31 H new ATOM 0 HD1 TRP A 86 14.340 8.810 -23.318 1.00 2.11 H new ATOM 0 HE1 TRP A 86 16.029 7.815 -25.006 1.00 13.44 H new ATOM 0 HE3 TRP A 86 18.657 10.070 -20.890 1.00 61.54 H new ATOM 0 HZ2 TRP A 86 18.826 7.621 -25.230 1.00 44.11 H new ATOM 0 HZ3 TRP A 86 20.811 9.443 -21.907 1.00 34.44 H new ATOM 0 HH2 TRP A 86 20.891 8.235 -24.051 1.00 0.10 H new ATOM 1391 N CYS A 87 17.580 9.604 -18.759 1.00 4.11 N ATOM 1392 CA CYS A 87 18.929 9.277 -18.307 1.00 10.31 C ATOM 1393 C CYS A 87 18.918 8.040 -17.415 1.00 25.21 C ATOM 1394 O CYS A 87 19.664 7.089 -17.647 1.00 21.31 O ATOM 1395 CB CYS A 87 19.537 10.461 -17.553 1.00 33.54 C ATOM 1396 SG CYS A 87 20.888 11.280 -18.430 1.00 65.04 S ATOM 0 H CYS A 87 17.298 10.568 -18.582 1.00 4.11 H new ATOM 0 HA CYS A 87 19.539 9.063 -19.185 1.00 10.31 H new ATOM 0 HB2 CYS A 87 18.753 11.191 -17.352 1.00 33.54 H new ATOM 0 HB3 CYS A 87 19.903 10.113 -16.587 1.00 33.54 H new ATOM 0 HG CYS A 87 20.916 12.539 -18.106 1.00 65.04 H new ATOM 1402 N ILE A 88 18.069 8.062 -16.393 1.00 73.12 N ATOM 1403 CA ILE A 88 17.961 6.942 -15.467 1.00 23.32 C ATOM 1404 C ILE A 88 17.708 5.635 -16.209 1.00 73.04 C ATOM 1405 O ILE A 88 18.236 4.586 -15.842 1.00 22.35 O ATOM 1406 CB ILE A 88 16.833 7.164 -14.443 1.00 22.03 C ATOM 1407 CG1 ILE A 88 17.088 8.443 -13.640 1.00 73.51 C ATOM 1408 CG2 ILE A 88 16.715 5.964 -13.515 1.00 50.11 C ATOM 1409 CD1 ILE A 88 15.868 8.943 -12.899 1.00 13.43 C ATOM 0 H ILE A 88 17.446 8.843 -16.186 1.00 73.12 H new ATOM 0 HA ILE A 88 18.913 6.878 -14.939 1.00 23.32 H new ATOM 0 HB ILE A 88 15.891 7.276 -14.981 1.00 22.03 H new ATOM 0 HG12 ILE A 88 17.889 8.259 -12.923 1.00 73.51 H new ATOM 0 HG13 ILE A 88 17.438 9.223 -14.316 1.00 73.51 H new ATOM 0 HG21 ILE A 88 15.913 6.137 -12.797 1.00 50.11 H new ATOM 0 HG22 ILE A 88 16.492 5.072 -14.100 1.00 50.11 H new ATOM 0 HG23 ILE A 88 17.655 5.823 -12.982 1.00 50.11 H new ATOM 0 HD11 ILE A 88 16.121 9.851 -12.352 1.00 13.43 H new ATOM 0 HD12 ILE A 88 15.072 9.159 -13.612 1.00 13.43 H new ATOM 0 HD13 ILE A 88 15.530 8.180 -12.198 1.00 13.43 H new ATOM 1421 N HIS A 89 16.897 5.705 -17.261 1.00 10.34 N ATOM 1422 CA HIS A 89 16.574 4.528 -18.058 1.00 40.44 C ATOM 1423 C HIS A 89 17.751 4.135 -18.945 1.00 22.40 C ATOM 1424 O HIS A 89 18.044 2.940 -19.000 1.00 51.53 O ATOM 1425 CB HIS A 89 15.339 4.793 -18.921 1.00 34.31 C ATOM 1426 CG HIS A 89 14.074 4.927 -18.130 1.00 12.55 C ATOM 1427 ND1 HIS A 89 13.846 4.245 -16.953 1.00 3.31 N ATOM 1428 CD2 HIS A 89 12.965 5.671 -18.351 1.00 45.31 C ATOM 1429 CE1 HIS A 89 12.652 4.565 -16.486 1.00 72.32 C ATOM 1430 NE2 HIS A 89 12.097 5.429 -17.316 1.00 40.34 N ATOM 0 H HIS A 89 16.452 6.565 -17.581 1.00 10.34 H new ATOM 0 HA HIS A 89 16.362 3.705 -17.376 1.00 40.44 H new ATOM 0 HB2 HIS A 89 15.497 5.705 -19.496 1.00 34.31 H new ATOM 0 HB3 HIS A 89 15.225 3.980 -19.638 1.00 34.31 H new ATOM 0 HD2 HIS A 89 12.795 6.333 -19.187 1.00 45.31 H new ATOM 0 HE1 HIS A 89 12.206 4.184 -15.579 1.00 72.32 H new ATOM 0 HE2 HIS A 89 11.174 5.848 -17.206 1.00 40.34 H new ATOM 1438 N ALA A 90 18.412 5.072 -19.616 1.00 42.22 N ATOM 1439 CA ALA A 90 19.544 4.744 -20.474 1.00 45.42 C ATOM 1440 C ALA A 90 20.739 4.277 -19.649 1.00 60.23 C ATOM 1441 O ALA A 90 21.764 3.874 -20.200 1.00 1.34 O ATOM 1442 CB ALA A 90 19.926 5.945 -21.326 1.00 55.34 C ATOM 0 H ALA A 90 18.183 6.065 -19.582 1.00 42.22 H new ATOM 0 HA ALA A 90 19.246 3.927 -21.131 1.00 45.42 H new ATOM 0 HB1 ALA A 90 20.773 5.686 -21.962 1.00 55.34 H new ATOM 0 HB2 ALA A 90 19.079 6.233 -21.949 1.00 55.34 H new ATOM 0 HB3 ALA A 90 20.200 6.778 -20.679 1.00 55.34 H new ATOM 1448 N GLU A 91 20.600 4.333 -18.329 1.00 3.21 N ATOM 1449 CA GLU A 91 21.670 3.918 -17.430 1.00 31.42 C ATOM 1450 C GLU A 91 22.768 4.976 -17.364 1.00 33.33 C ATOM 1451 O GLU A 91 23.952 4.651 -17.283 1.00 42.40 O ATOM 1452 CB GLU A 91 22.261 2.583 -17.889 1.00 34.21 C ATOM 1453 CG GLU A 91 22.460 1.585 -16.759 1.00 2.40 C ATOM 1454 CD GLU A 91 21.379 0.523 -16.722 1.00 52.22 C ATOM 1455 OE1 GLU A 91 20.187 0.892 -16.666 1.00 0.53 O ATOM 1456 OE2 GLU A 91 21.723 -0.676 -16.748 1.00 72.11 O ATOM 0 H GLU A 91 19.757 4.662 -17.858 1.00 3.21 H new ATOM 0 HA GLU A 91 21.246 3.797 -16.433 1.00 31.42 H new ATOM 0 HB2 GLU A 91 21.604 2.143 -18.640 1.00 34.21 H new ATOM 0 HB3 GLU A 91 23.220 2.767 -18.373 1.00 34.21 H new ATOM 0 HG2 GLU A 91 23.432 1.105 -16.870 1.00 2.40 H new ATOM 0 HG3 GLU A 91 22.474 2.117 -15.808 1.00 2.40 H new ATOM 1463 N GLU A 92 22.363 6.242 -17.399 1.00 4.04 N ATOM 1464 CA GLU A 92 23.312 7.347 -17.343 1.00 43.23 C ATOM 1465 C GLU A 92 23.368 7.948 -15.942 1.00 22.43 C ATOM 1466 O GLU A 92 22.337 8.267 -15.349 1.00 52.51 O ATOM 1467 CB GLU A 92 22.930 8.427 -18.358 1.00 45.20 C ATOM 1468 CG GLU A 92 23.174 8.020 -19.801 1.00 52.30 C ATOM 1469 CD GLU A 92 24.611 8.234 -20.233 1.00 61.52 C ATOM 1470 OE1 GLU A 92 25.519 8.010 -19.405 1.00 65.13 O ATOM 1471 OE2 GLU A 92 24.828 8.624 -21.399 1.00 61.35 O ATOM 0 H GLU A 92 21.386 6.527 -17.466 1.00 4.04 H new ATOM 0 HA GLU A 92 24.299 6.957 -17.591 1.00 43.23 H new ATOM 0 HB2 GLU A 92 21.876 8.675 -18.233 1.00 45.20 H new ATOM 0 HB3 GLU A 92 23.498 9.332 -18.144 1.00 45.20 H new ATOM 0 HG2 GLU A 92 22.913 6.969 -19.927 1.00 52.30 H new ATOM 0 HG3 GLU A 92 22.514 8.592 -20.453 1.00 52.30 H new ATOM 1478 N LYS A 93 24.579 8.098 -15.416 1.00 62.54 N ATOM 1479 CA LYS A 93 24.771 8.659 -14.085 1.00 23.34 C ATOM 1480 C LYS A 93 24.764 10.184 -14.131 1.00 52.30 C ATOM 1481 O LYS A 93 25.431 10.792 -14.967 1.00 42.51 O ATOM 1482 CB LYS A 93 26.090 8.164 -13.486 1.00 30.53 C ATOM 1483 CG LYS A 93 27.321 8.732 -14.170 1.00 13.25 C ATOM 1484 CD LYS A 93 28.372 7.661 -14.407 1.00 15.03 C ATOM 1485 CE LYS A 93 29.778 8.239 -14.363 1.00 42.14 C ATOM 1486 NZ LYS A 93 30.279 8.583 -15.723 1.00 34.50 N ATOM 0 H LYS A 93 25.443 7.838 -15.892 1.00 62.54 H new ATOM 0 HA LYS A 93 23.945 8.327 -13.456 1.00 23.34 H new ATOM 0 HB2 LYS A 93 26.119 8.426 -12.428 1.00 30.53 H new ATOM 0 HB3 LYS A 93 26.121 7.076 -13.546 1.00 30.53 H new ATOM 0 HG2 LYS A 93 27.035 9.179 -15.122 1.00 13.25 H new ATOM 0 HG3 LYS A 93 27.744 9.528 -13.557 1.00 13.25 H new ATOM 0 HD2 LYS A 93 28.275 6.881 -13.652 1.00 15.03 H new ATOM 0 HD3 LYS A 93 28.201 7.190 -15.375 1.00 15.03 H new ATOM 0 HE2 LYS A 93 29.784 9.131 -13.737 1.00 42.14 H new ATOM 0 HE3 LYS A 93 30.452 7.519 -13.899 1.00 42.14 H new ATOM 0 HZ1 LYS A 93 31.240 8.974 -15.650 1.00 34.50 H new ATOM 0 HZ2 LYS A 93 30.297 7.727 -16.313 1.00 34.50 H new ATOM 0 HZ3 LYS A 93 29.650 9.289 -16.156 1.00 34.50 H new ATOM 1500 N VAL A 94 24.005 10.795 -13.227 1.00 41.02 N ATOM 1501 CA VAL A 94 23.913 12.248 -13.164 1.00 3.25 C ATOM 1502 C VAL A 94 23.857 12.733 -11.719 1.00 51.42 C ATOM 1503 O VAL A 94 23.369 12.030 -10.834 1.00 70.33 O ATOM 1504 CB VAL A 94 22.672 12.766 -13.915 1.00 32.41 C ATOM 1505 CG1 VAL A 94 22.803 12.501 -15.407 1.00 31.12 C ATOM 1506 CG2 VAL A 94 21.409 12.125 -13.360 1.00 55.03 C ATOM 0 H VAL A 94 23.445 10.306 -12.528 1.00 41.02 H new ATOM 0 HA VAL A 94 24.809 12.642 -13.643 1.00 3.25 H new ATOM 0 HB VAL A 94 22.601 13.843 -13.766 1.00 32.41 H new ATOM 0 HG11 VAL A 94 21.917 12.873 -15.922 1.00 31.12 H new ATOM 0 HG12 VAL A 94 23.687 13.010 -15.791 1.00 31.12 H new ATOM 0 HG13 VAL A 94 22.899 11.429 -15.579 1.00 31.12 H new ATOM 0 HG21 VAL A 94 20.541 12.502 -13.902 1.00 55.03 H new ATOM 0 HG22 VAL A 94 21.468 11.043 -13.478 1.00 55.03 H new ATOM 0 HG23 VAL A 94 21.311 12.370 -12.302 1.00 55.03 H new ATOM 1516 N LYS A 95 24.360 13.941 -11.486 1.00 12.42 N ATOM 1517 CA LYS A 95 24.367 14.523 -10.149 1.00 74.33 C ATOM 1518 C LYS A 95 23.234 15.532 -9.989 1.00 22.31 C ATOM 1519 O LYS A 95 22.623 15.631 -8.925 1.00 24.03 O ATOM 1520 CB LYS A 95 25.710 15.200 -9.872 1.00 61.11 C ATOM 1521 CG LYS A 95 26.024 16.341 -10.823 1.00 50.24 C ATOM 1522 CD LYS A 95 27.392 16.941 -10.543 1.00 72.12 C ATOM 1523 CE LYS A 95 28.509 15.976 -10.907 1.00 71.43 C ATOM 1524 NZ LYS A 95 29.557 16.629 -11.741 1.00 32.31 N ATOM 0 H LYS A 95 24.768 14.536 -12.207 1.00 12.42 H new ATOM 0 HA LYS A 95 24.218 13.718 -9.429 1.00 74.33 H new ATOM 0 HB2 LYS A 95 25.712 15.579 -8.850 1.00 61.11 H new ATOM 0 HB3 LYS A 95 26.503 14.455 -9.937 1.00 61.11 H new ATOM 0 HG2 LYS A 95 25.988 15.980 -11.851 1.00 50.24 H new ATOM 0 HG3 LYS A 95 25.261 17.114 -10.730 1.00 50.24 H new ATOM 0 HD2 LYS A 95 27.508 17.864 -11.110 1.00 72.12 H new ATOM 0 HD3 LYS A 95 27.466 17.204 -9.488 1.00 72.12 H new ATOM 0 HE2 LYS A 95 28.962 15.584 -9.996 1.00 71.43 H new ATOM 0 HE3 LYS A 95 28.093 15.126 -11.447 1.00 71.43 H new ATOM 0 HZ1 LYS A 95 30.300 15.938 -11.968 1.00 32.31 H new ATOM 0 HZ2 LYS A 95 29.130 16.981 -12.622 1.00 32.31 H new ATOM 0 HZ3 LYS A 95 29.973 17.425 -11.216 1.00 32.31 H new ATOM 1538 N ASP A 96 22.958 16.277 -11.053 1.00 42.52 N ATOM 1539 CA ASP A 96 21.897 17.278 -11.031 1.00 71.32 C ATOM 1540 C ASP A 96 21.230 17.392 -12.398 1.00 50.12 C ATOM 1541 O ASP A 96 21.697 16.814 -13.380 1.00 64.13 O ATOM 1542 CB ASP A 96 22.457 18.637 -10.608 1.00 52.21 C ATOM 1543 CG ASP A 96 23.559 19.122 -11.530 1.00 14.23 C ATOM 1544 OD1 ASP A 96 23.883 18.403 -12.498 1.00 15.33 O ATOM 1545 OD2 ASP A 96 24.095 20.222 -11.283 1.00 42.22 O ATOM 0 H ASP A 96 23.454 16.207 -11.942 1.00 42.52 H new ATOM 0 HA ASP A 96 21.147 16.961 -10.306 1.00 71.32 H new ATOM 0 HB2 ASP A 96 21.651 19.370 -10.593 1.00 52.21 H new ATOM 0 HB3 ASP A 96 22.843 18.567 -9.591 1.00 52.21 H new ATOM 1550 N THR A 97 20.134 18.142 -12.455 1.00 52.01 N ATOM 1551 CA THR A 97 19.400 18.330 -13.701 1.00 22.00 C ATOM 1552 C THR A 97 20.323 18.814 -14.814 1.00 61.11 C ATOM 1553 O THR A 97 20.349 18.241 -15.903 1.00 52.51 O ATOM 1554 CB THR A 97 18.250 19.340 -13.529 1.00 5.23 C ATOM 1555 OG1 THR A 97 17.626 19.158 -12.253 1.00 3.21 O ATOM 1556 CG2 THR A 97 17.217 19.177 -14.632 1.00 74.34 C ATOM 0 H THR A 97 19.735 18.629 -11.653 1.00 52.01 H new ATOM 0 HA THR A 97 18.984 17.360 -13.972 1.00 22.00 H new ATOM 0 HB THR A 97 18.666 20.345 -13.590 1.00 5.23 H new ATOM 0 HG1 THR A 97 17.810 19.935 -11.685 1.00 3.21 H new ATOM 0 HG21 THR A 97 16.415 19.901 -14.489 1.00 74.34 H new ATOM 0 HG22 THR A 97 17.689 19.345 -15.600 1.00 74.34 H new ATOM 0 HG23 THR A 97 16.805 18.168 -14.599 1.00 74.34 H new ATOM 1564 N GLU A 98 21.080 19.870 -14.532 1.00 54.34 N ATOM 1565 CA GLU A 98 22.004 20.430 -15.512 1.00 73.13 C ATOM 1566 C GLU A 98 22.879 19.338 -16.121 1.00 32.54 C ATOM 1567 O GLU A 98 23.148 19.340 -17.321 1.00 63.22 O ATOM 1568 CB GLU A 98 22.884 21.500 -14.863 1.00 14.34 C ATOM 1569 CG GLU A 98 22.112 22.728 -14.409 1.00 23.45 C ATOM 1570 CD GLU A 98 22.027 23.794 -15.483 1.00 64.23 C ATOM 1571 OE1 GLU A 98 23.090 24.269 -15.935 1.00 74.23 O ATOM 1572 OE2 GLU A 98 20.895 24.152 -15.874 1.00 64.42 O ATOM 0 H GLU A 98 21.072 20.354 -13.634 1.00 54.34 H new ATOM 0 HA GLU A 98 21.416 20.887 -16.308 1.00 73.13 H new ATOM 0 HB2 GLU A 98 23.397 21.066 -14.005 1.00 14.34 H new ATOM 0 HB3 GLU A 98 23.653 21.806 -15.573 1.00 14.34 H new ATOM 0 HG2 GLU A 98 21.105 22.431 -14.116 1.00 23.45 H new ATOM 0 HG3 GLU A 98 22.591 23.147 -13.524 1.00 23.45 H new ATOM 1579 N GLY A 99 23.319 18.404 -15.282 1.00 23.24 N ATOM 1580 CA GLY A 99 24.160 17.319 -15.754 1.00 41.12 C ATOM 1581 C GLY A 99 23.397 16.325 -16.607 1.00 31.32 C ATOM 1582 O GLY A 99 23.940 15.769 -17.561 1.00 22.22 O ATOM 0 H GLY A 99 23.108 18.380 -14.284 1.00 23.24 H new ATOM 0 HA2 GLY A 99 24.988 17.730 -16.332 1.00 41.12 H new ATOM 0 HA3 GLY A 99 24.595 16.801 -14.899 1.00 41.12 H new ATOM 1586 N ALA A 100 22.134 16.097 -16.260 1.00 52.41 N ATOM 1587 CA ALA A 100 21.296 15.162 -17.000 1.00 61.34 C ATOM 1588 C ALA A 100 21.111 15.615 -18.444 1.00 42.14 C ATOM 1589 O ALA A 100 21.303 14.838 -19.380 1.00 20.43 O ATOM 1590 CB ALA A 100 19.945 15.009 -16.317 1.00 51.12 C ATOM 0 H ALA A 100 21.669 16.547 -15.471 1.00 52.41 H new ATOM 0 HA ALA A 100 21.797 14.194 -17.011 1.00 61.34 H new ATOM 0 HB1 ALA A 100 19.330 14.308 -16.881 1.00 51.12 H new ATOM 0 HB2 ALA A 100 20.090 14.632 -15.305 1.00 51.12 H new ATOM 0 HB3 ALA A 100 19.446 15.977 -16.276 1.00 51.12 H new ATOM 1596 N LYS A 101 20.737 16.878 -18.621 1.00 1.55 N ATOM 1597 CA LYS A 101 20.527 17.436 -19.951 1.00 2.04 C ATOM 1598 C LYS A 101 21.785 17.301 -20.803 1.00 51.22 C ATOM 1599 O LYS A 101 21.721 16.875 -21.956 1.00 2.24 O ATOM 1600 CB LYS A 101 20.122 18.909 -19.851 1.00 33.21 C ATOM 1601 CG LYS A 101 18.697 19.179 -20.304 1.00 0.40 C ATOM 1602 CD LYS A 101 18.624 19.420 -21.803 1.00 25.44 C ATOM 1603 CE LYS A 101 18.552 20.904 -22.126 1.00 53.24 C ATOM 1604 NZ LYS A 101 19.904 21.528 -22.176 1.00 54.43 N ATOM 0 H LYS A 101 20.573 17.535 -17.858 1.00 1.55 H new ATOM 0 HA LYS A 101 19.723 16.876 -20.429 1.00 2.04 H new ATOM 0 HB2 LYS A 101 20.235 19.239 -18.818 1.00 33.21 H new ATOM 0 HB3 LYS A 101 20.806 19.507 -20.454 1.00 33.21 H new ATOM 0 HG2 LYS A 101 18.064 18.332 -20.040 1.00 0.40 H new ATOM 0 HG3 LYS A 101 18.305 20.048 -19.775 1.00 0.40 H new ATOM 0 HD2 LYS A 101 19.498 18.984 -22.286 1.00 25.44 H new ATOM 0 HD3 LYS A 101 17.749 18.915 -22.212 1.00 25.44 H new ATOM 0 HE2 LYS A 101 18.052 21.043 -23.085 1.00 53.24 H new ATOM 0 HE3 LYS A 101 17.946 21.410 -21.374 1.00 53.24 H new ATOM 0 HZ1 LYS A 101 19.815 22.528 -22.449 1.00 54.43 H new ATOM 0 HZ2 LYS A 101 20.351 21.463 -21.239 1.00 54.43 H new ATOM 0 HZ3 LYS A 101 20.491 21.029 -22.875 1.00 54.43 H new ATOM 1618 N GLN A 102 22.926 17.665 -20.227 1.00 5.11 N ATOM 1619 CA GLN A 102 24.198 17.583 -20.934 1.00 21.31 C ATOM 1620 C GLN A 102 24.368 16.218 -21.594 1.00 10.43 C ATOM 1621 O GLN A 102 24.764 16.124 -22.756 1.00 21.13 O ATOM 1622 CB GLN A 102 25.358 17.845 -19.972 1.00 43.40 C ATOM 1623 CG GLN A 102 26.008 19.207 -20.161 1.00 3.32 C ATOM 1624 CD GLN A 102 25.993 20.041 -18.894 1.00 52.34 C ATOM 1625 OE1 GLN A 102 25.189 20.963 -18.755 1.00 40.53 O ATOM 1626 NE2 GLN A 102 26.882 19.720 -17.963 1.00 44.00 N ATOM 0 H GLN A 102 22.995 18.019 -19.273 1.00 5.11 H new ATOM 0 HA GLN A 102 24.201 18.346 -21.713 1.00 21.31 H new ATOM 0 HB2 GLN A 102 24.995 17.764 -18.947 1.00 43.40 H new ATOM 0 HB3 GLN A 102 26.112 17.070 -20.106 1.00 43.40 H new ATOM 0 HG2 GLN A 102 27.038 19.071 -20.490 1.00 3.32 H new ATOM 0 HG3 GLN A 102 25.489 19.747 -20.953 1.00 3.32 H new ATOM 0 HE21 GLN A 102 27.530 18.948 -18.121 1.00 44.00 H new ATOM 0 HE22 GLN A 102 26.918 20.245 -17.089 1.00 44.00 H new ATOM 1635 N ILE A 103 24.065 15.163 -20.845 1.00 33.04 N ATOM 1636 CA ILE A 103 24.184 13.804 -21.357 1.00 33.02 C ATOM 1637 C ILE A 103 23.156 13.538 -22.451 1.00 22.41 C ATOM 1638 O ILE A 103 23.441 12.850 -23.432 1.00 31.24 O ATOM 1639 CB ILE A 103 24.005 12.762 -20.236 1.00 45.44 C ATOM 1640 CG1 ILE A 103 25.097 12.928 -19.177 1.00 63.32 C ATOM 1641 CG2 ILE A 103 24.027 11.355 -20.813 1.00 23.43 C ATOM 1642 CD1 ILE A 103 24.924 12.015 -17.983 1.00 10.30 C ATOM 0 H ILE A 103 23.735 15.224 -19.882 1.00 33.04 H new ATOM 0 HA ILE A 103 25.187 13.710 -21.773 1.00 33.02 H new ATOM 0 HB ILE A 103 23.037 12.923 -19.761 1.00 45.44 H new ATOM 0 HG12 ILE A 103 26.068 12.735 -19.634 1.00 63.32 H new ATOM 0 HG13 ILE A 103 25.106 13.963 -18.835 1.00 63.32 H new ATOM 0 HG21 ILE A 103 23.899 10.630 -20.009 1.00 23.43 H new ATOM 0 HG22 ILE A 103 23.216 11.244 -21.533 1.00 23.43 H new ATOM 0 HG23 ILE A 103 24.981 11.181 -21.311 1.00 23.43 H new ATOM 0 HD11 ILE A 103 25.733 12.187 -17.273 1.00 10.30 H new ATOM 0 HD12 ILE A 103 23.969 12.223 -17.501 1.00 10.30 H new ATOM 0 HD13 ILE A 103 24.945 10.976 -18.313 1.00 10.30 H new ATOM 1654 N VAL A 104 21.959 14.088 -22.278 1.00 12.21 N ATOM 1655 CA VAL A 104 20.888 13.913 -23.253 1.00 24.15 C ATOM 1656 C VAL A 104 21.226 14.601 -24.570 1.00 42.11 C ATOM 1657 O VAL A 104 21.363 13.949 -25.605 1.00 12.21 O ATOM 1658 CB VAL A 104 19.552 14.468 -22.725 1.00 31.33 C ATOM 1659 CG1 VAL A 104 18.476 14.380 -23.796 1.00 23.33 C ATOM 1660 CG2 VAL A 104 19.126 13.725 -21.468 1.00 23.35 C ATOM 0 H VAL A 104 21.706 14.659 -21.472 1.00 12.21 H new ATOM 0 HA VAL A 104 20.786 12.841 -23.422 1.00 24.15 H new ATOM 0 HB VAL A 104 19.691 15.518 -22.469 1.00 31.33 H new ATOM 0 HG11 VAL A 104 17.539 14.777 -23.404 1.00 23.33 H new ATOM 0 HG12 VAL A 104 18.781 14.961 -24.666 1.00 23.33 H new ATOM 0 HG13 VAL A 104 18.336 13.339 -24.086 1.00 23.33 H new ATOM 0 HG21 VAL A 104 18.180 14.130 -21.109 1.00 23.35 H new ATOM 0 HG22 VAL A 104 19.004 12.666 -21.695 1.00 23.35 H new ATOM 0 HG23 VAL A 104 19.888 13.846 -20.698 1.00 23.35 H new ATOM 1670 N ARG A 105 21.362 15.922 -24.523 1.00 43.34 N ATOM 1671 CA ARG A 105 21.684 16.699 -25.714 1.00 52.51 C ATOM 1672 C ARG A 105 22.895 16.114 -26.434 1.00 42.42 C ATOM 1673 O ARG A 105 22.910 16.009 -27.662 1.00 2.45 O ATOM 1674 CB ARG A 105 21.955 18.157 -25.339 1.00 64.32 C ATOM 1675 CG ARG A 105 22.520 18.985 -26.482 1.00 42.40 C ATOM 1676 CD ARG A 105 24.025 19.161 -26.352 1.00 75.14 C ATOM 1677 NE ARG A 105 24.490 20.387 -26.995 1.00 2.13 N ATOM 1678 CZ ARG A 105 24.279 21.601 -26.499 1.00 13.33 C ATOM 1679 NH1 ARG A 105 23.614 21.750 -25.361 1.00 45.24 N ATOM 1680 NH2 ARG A 105 24.734 22.670 -27.141 1.00 54.03 N ATOM 0 H ARG A 105 21.254 16.476 -23.674 1.00 43.34 H new ATOM 0 HA ARG A 105 20.828 16.657 -26.387 1.00 52.51 H new ATOM 0 HB2 ARG A 105 21.027 18.613 -24.995 1.00 64.32 H new ATOM 0 HB3 ARG A 105 22.653 18.184 -24.502 1.00 64.32 H new ATOM 0 HG2 ARG A 105 22.290 18.501 -27.431 1.00 42.40 H new ATOM 0 HG3 ARG A 105 22.038 19.963 -26.497 1.00 42.40 H new ATOM 0 HD2 ARG A 105 24.298 19.179 -25.297 1.00 75.14 H new ATOM 0 HD3 ARG A 105 24.530 18.304 -26.797 1.00 75.14 H new ATOM 0 HE ARG A 105 25.004 20.307 -27.872 1.00 2.13 H new ATOM 0 HH11 ARG A 105 23.263 20.931 -24.864 1.00 45.24 H new ATOM 0 HH12 ARG A 105 23.454 22.684 -24.983 1.00 45.24 H new ATOM 0 HH21 ARG A 105 25.246 22.560 -28.016 1.00 54.03 H new ATOM 0 HH22 ARG A 105 24.571 23.602 -26.759 1.00 54.03 H new ATOM 1694 N ARG A 106 23.909 15.734 -25.664 1.00 12.12 N ATOM 1695 CA ARG A 106 25.124 15.161 -26.228 1.00 64.41 C ATOM 1696 C ARG A 106 24.795 14.016 -27.180 1.00 74.32 C ATOM 1697 O ARG A 106 25.385 13.898 -28.255 1.00 14.14 O ATOM 1698 CB ARG A 106 26.045 14.662 -25.112 1.00 1.41 C ATOM 1699 CG ARG A 106 27.396 14.175 -25.608 1.00 44.31 C ATOM 1700 CD ARG A 106 28.448 15.271 -25.524 1.00 53.45 C ATOM 1701 NE ARG A 106 29.722 14.852 -26.102 1.00 42.05 N ATOM 1702 CZ ARG A 106 29.963 14.826 -27.409 1.00 12.55 C ATOM 1703 NH1 ARG A 106 29.022 15.193 -28.267 1.00 54.21 N ATOM 1704 NH2 ARG A 106 31.148 14.433 -27.858 1.00 70.11 N ATOM 0 H ARG A 106 23.913 15.813 -24.647 1.00 12.12 H new ATOM 0 HA ARG A 106 25.636 15.942 -26.790 1.00 64.41 H new ATOM 0 HB2 ARG A 106 26.200 15.467 -24.394 1.00 1.41 H new ATOM 0 HB3 ARG A 106 25.549 13.851 -24.579 1.00 1.41 H new ATOM 0 HG2 ARG A 106 27.715 13.317 -25.016 1.00 44.31 H new ATOM 0 HG3 ARG A 106 27.305 13.834 -26.639 1.00 44.31 H new ATOM 0 HD2 ARG A 106 28.089 16.159 -26.044 1.00 53.45 H new ATOM 0 HD3 ARG A 106 28.598 15.551 -24.481 1.00 53.45 H new ATOM 0 HE ARG A 106 30.467 14.564 -25.468 1.00 42.05 H new ATOM 0 HH11 ARG A 106 28.110 15.496 -27.925 1.00 54.21 H new ATOM 0 HH12 ARG A 106 29.210 15.172 -29.269 1.00 54.21 H new ATOM 0 HH21 ARG A 106 31.875 14.151 -27.200 1.00 70.11 H new ATOM 0 HH22 ARG A 106 31.332 14.413 -28.861 1.00 70.11 H new ATOM 1718 N HIS A 107 23.850 13.171 -26.778 1.00 0.43 N ATOM 1719 CA HIS A 107 23.440 12.035 -27.595 1.00 63.34 C ATOM 1720 C HIS A 107 22.693 12.503 -28.840 1.00 33.33 C ATOM 1721 O HIS A 107 22.859 11.858 -29.876 1.00 62.11 O ATOM 1722 CB HIS A 107 22.557 11.087 -26.783 1.00 24.55 C ATOM 1723 CG HIS A 107 23.332 10.148 -25.910 1.00 20.40 C ATOM 1724 ND1 HIS A 107 24.340 9.335 -26.386 1.00 42.32 N ATOM 1725 CD2 HIS A 107 23.243 9.894 -24.583 1.00 4.33 C ATOM 1726 CE1 HIS A 107 24.836 8.623 -25.389 1.00 43.03 C ATOM 1727 NE2 HIS A 107 24.189 8.945 -24.284 1.00 53.03 N ATOM 0 H HIS A 107 23.354 13.252 -25.891 1.00 0.43 H new ATOM 0 HA HIS A 107 24.338 11.503 -27.909 1.00 63.34 H new ATOM 0 HB2 HIS A 107 21.882 11.675 -26.161 1.00 24.55 H new ATOM 0 HB3 HIS A 107 21.937 10.507 -27.466 1.00 24.55 H new ATOM 0 HD2 HIS A 107 22.555 10.353 -23.888 1.00 4.33 H new ATOM 0 HE1 HIS A 107 25.635 7.900 -25.465 1.00 43.03 H new ATOM 0 HE2 HIS A 107 24.364 8.553 -23.359 1.00 53.03 H new ATOM 1735 N LEU A 108 21.901 13.568 -28.771 1.00 31.24 N ATOM 1736 CA LEU A 108 21.167 14.052 -29.933 1.00 52.01 C ATOM 1737 C LEU A 108 22.113 14.672 -30.956 1.00 51.33 C ATOM 1738 O LEU A 108 21.945 14.492 -32.162 1.00 24.33 O ATOM 1739 CB LEU A 108 20.116 15.079 -29.505 1.00 54.14 C ATOM 1740 CG LEU A 108 19.042 14.578 -28.539 1.00 22.21 C ATOM 1741 CD1 LEU A 108 18.587 15.700 -27.619 1.00 62.11 C ATOM 1742 CD2 LEU A 108 17.861 14.001 -29.305 1.00 74.35 C ATOM 0 H LEU A 108 21.751 14.112 -27.921 1.00 31.24 H new ATOM 0 HA LEU A 108 20.668 13.201 -30.397 1.00 52.01 H new ATOM 0 HB2 LEU A 108 20.629 15.922 -29.041 1.00 54.14 H new ATOM 0 HB3 LEU A 108 19.623 15.459 -30.400 1.00 54.14 H new ATOM 0 HG LEU A 108 19.473 13.786 -27.927 1.00 22.21 H new ATOM 0 HD11 LEU A 108 17.823 15.325 -26.938 1.00 62.11 H new ATOM 0 HD12 LEU A 108 19.437 16.066 -27.043 1.00 62.11 H new ATOM 0 HD13 LEU A 108 18.175 16.514 -28.215 1.00 62.11 H new ATOM 0 HD21 LEU A 108 17.107 13.650 -28.601 1.00 74.35 H new ATOM 0 HD22 LEU A 108 17.430 14.772 -29.943 1.00 74.35 H new ATOM 0 HD23 LEU A 108 18.199 13.167 -29.921 1.00 74.35 H new