USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= 0 X(o=0,f=0.021) USER MOD Set 2.1: A 29 TYR OH : rot 173:sc= 1.26 USER MOD Set 2.2: A 97 THR OG1 : rot 95:sc= 0.357 USER MOD Single : A 9 SER OG : rot 180:sc= -0.38 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.109 (180deg=-0.481) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0886 (180deg=-0.405) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-7.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.294 USER MOD Single : A 47 ASN : amide:sc=-0.00589 K(o=-0.0059,f=-1.6) USER MOD Single : A 53 THR OG1 : rot -42:sc= 1.71 USER MOD Single : A 54 SER OG : rot -42:sc= -0.284 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0891 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 63 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.51) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.929 USER MOD Single : A 69 GLN : amide:sc= -0.0633 K(o=-0.063,f=-0.78) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 80 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.5) USER MOD Single : A 81 THR OG1 : rot 79:sc= 0.317 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0274 USER MOD Single : A 89 HIS : no HD1:sc= -0.424 K(o=0.15,f=-3.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0381) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.634 -5.421 -13.823 1.00 70.13 N ATOM 64 CA VAL A 7 3.391 -5.348 -14.580 1.00 22.11 C ATOM 65 C VAL A 7 2.368 -4.466 -13.873 1.00 24.23 C ATOM 66 O VAL A 7 1.934 -3.447 -14.410 1.00 25.14 O ATOM 67 CB VAL A 7 2.784 -6.746 -14.799 1.00 10.12 C ATOM 68 CG1 VAL A 7 1.478 -6.646 -15.572 1.00 43.22 C ATOM 69 CG2 VAL A 7 3.773 -7.649 -15.521 1.00 23.14 C ATOM 0 HA VAL A 7 3.635 -4.911 -15.548 1.00 22.11 H new ATOM 0 HB VAL A 7 2.569 -7.186 -13.825 1.00 10.12 H new ATOM 0 HG11 VAL A 7 1.064 -7.644 -15.717 1.00 43.22 H new ATOM 0 HG12 VAL A 7 0.769 -6.037 -15.011 1.00 43.22 H new ATOM 0 HG13 VAL A 7 1.664 -6.186 -16.542 1.00 43.22 H new ATOM 0 HG21 VAL A 7 3.327 -8.633 -15.667 1.00 23.14 H new ATOM 0 HG22 VAL A 7 4.021 -7.215 -16.490 1.00 23.14 H new ATOM 0 HG23 VAL A 7 4.680 -7.746 -14.924 1.00 23.14 H new ATOM 79 N LEU A 8 1.986 -4.865 -12.665 1.00 4.45 N ATOM 80 CA LEU A 8 1.013 -4.111 -11.883 1.00 11.21 C ATOM 81 C LEU A 8 1.647 -3.560 -10.609 1.00 65.14 C ATOM 82 O LEU A 8 2.253 -4.301 -9.835 1.00 12.31 O ATOM 83 CB LEU A 8 -0.183 -4.997 -11.528 1.00 33.22 C ATOM 84 CG LEU A 8 -1.061 -5.439 -12.699 1.00 63.44 C ATOM 85 CD1 LEU A 8 -2.261 -6.226 -12.198 1.00 1.50 C ATOM 86 CD2 LEU A 8 -1.512 -4.234 -13.512 1.00 45.25 C ATOM 0 H LEU A 8 2.335 -5.706 -12.206 1.00 4.45 H new ATOM 0 HA LEU A 8 0.669 -3.272 -12.489 1.00 11.21 H new ATOM 0 HB2 LEU A 8 0.188 -5.888 -11.021 1.00 33.22 H new ATOM 0 HB3 LEU A 8 -0.808 -4.461 -10.814 1.00 33.22 H new ATOM 0 HG LEU A 8 -0.471 -6.088 -13.346 1.00 63.44 H new ATOM 0 HD11 LEU A 8 -2.875 -6.532 -13.045 1.00 1.50 H new ATOM 0 HD12 LEU A 8 -1.918 -7.110 -11.660 1.00 1.50 H new ATOM 0 HD13 LEU A 8 -2.852 -5.601 -11.529 1.00 1.50 H new ATOM 0 HD21 LEU A 8 -2.136 -4.567 -14.341 1.00 45.25 H new ATOM 0 HD22 LEU A 8 -2.085 -3.559 -12.876 1.00 45.25 H new ATOM 0 HD23 LEU A 8 -0.639 -3.711 -13.902 1.00 45.25 H new ATOM 98 N SER A 9 1.503 -2.256 -10.399 1.00 52.50 N ATOM 99 CA SER A 9 2.064 -1.605 -9.220 1.00 64.23 C ATOM 100 C SER A 9 1.238 -1.925 -7.979 1.00 43.31 C ATOM 101 O SER A 9 0.245 -2.648 -8.050 1.00 53.54 O ATOM 102 CB SER A 9 2.126 -0.091 -9.429 1.00 13.14 C ATOM 103 OG SER A 9 0.828 0.476 -9.446 1.00 11.11 O ATOM 0 H SER A 9 1.003 -1.629 -11.029 1.00 52.50 H new ATOM 0 HA SER A 9 3.074 -1.986 -9.071 1.00 64.23 H new ATOM 0 HB2 SER A 9 2.715 0.365 -8.633 1.00 13.14 H new ATOM 0 HB3 SER A 9 2.634 0.129 -10.368 1.00 13.14 H new ATOM 0 HG SER A 9 0.896 1.445 -9.579 1.00 11.11 H new ATOM 109 N GLY A 10 1.655 -1.379 -6.840 1.00 62.02 N ATOM 110 CA GLY A 10 0.944 -1.618 -5.598 1.00 1.23 C ATOM 111 C GLY A 10 -0.542 -1.342 -5.720 1.00 54.35 C ATOM 112 O GLY A 10 -1.368 -2.152 -5.298 1.00 72.33 O ATOM 0 H GLY A 10 2.473 -0.775 -6.756 1.00 62.02 H new ATOM 0 HA2 GLY A 10 1.094 -2.653 -5.290 1.00 1.23 H new ATOM 0 HA3 GLY A 10 1.365 -0.988 -4.815 1.00 1.23 H new ATOM 116 N GLY A 11 -0.884 -0.194 -6.296 1.00 1.51 N ATOM 117 CA GLY A 11 -2.281 0.166 -6.458 1.00 22.54 C ATOM 118 C GLY A 11 -3.020 -0.780 -7.384 1.00 73.13 C ATOM 119 O GLY A 11 -4.088 -1.285 -7.040 1.00 13.05 O ATOM 0 H GLY A 11 -0.220 0.493 -6.653 1.00 1.51 H new ATOM 0 HA2 GLY A 11 -2.768 0.169 -5.483 1.00 22.54 H new ATOM 0 HA3 GLY A 11 -2.348 1.181 -6.851 1.00 22.54 H new ATOM 123 N GLU A 12 -2.451 -1.020 -8.561 1.00 52.11 N ATOM 124 CA GLU A 12 -3.065 -1.910 -9.538 1.00 42.21 C ATOM 125 C GLU A 12 -3.220 -3.318 -8.969 1.00 31.13 C ATOM 126 O GLU A 12 -4.208 -4.003 -9.240 1.00 54.45 O ATOM 127 CB GLU A 12 -2.227 -1.955 -10.818 1.00 51.34 C ATOM 128 CG GLU A 12 -1.813 -0.583 -11.322 1.00 71.31 C ATOM 129 CD GLU A 12 -1.113 -0.642 -12.666 1.00 53.54 C ATOM 130 OE1 GLU A 12 0.059 -1.073 -12.705 1.00 52.22 O ATOM 131 OE2 GLU A 12 -1.735 -0.258 -13.677 1.00 4.05 O ATOM 0 H GLU A 12 -1.566 -0.611 -8.861 1.00 52.11 H new ATOM 0 HA GLU A 12 -4.055 -1.521 -9.774 1.00 42.21 H new ATOM 0 HB2 GLU A 12 -1.333 -2.551 -10.636 1.00 51.34 H new ATOM 0 HB3 GLU A 12 -2.796 -2.463 -11.597 1.00 51.34 H new ATOM 0 HG2 GLU A 12 -2.696 0.051 -11.404 1.00 71.31 H new ATOM 0 HG3 GLU A 12 -1.151 -0.116 -10.592 1.00 71.31 H new ATOM 138 N LEU A 13 -2.239 -3.743 -8.182 1.00 10.03 N ATOM 139 CA LEU A 13 -2.265 -5.069 -7.575 1.00 53.22 C ATOM 140 C LEU A 13 -3.436 -5.202 -6.607 1.00 42.31 C ATOM 141 O LEU A 13 -4.122 -6.225 -6.582 1.00 34.31 O ATOM 142 CB LEU A 13 -0.950 -5.343 -6.842 1.00 61.20 C ATOM 143 CG LEU A 13 -0.506 -6.804 -6.783 1.00 41.51 C ATOM 144 CD1 LEU A 13 -1.636 -7.685 -6.273 1.00 54.43 C ATOM 145 CD2 LEU A 13 -0.038 -7.275 -8.152 1.00 74.41 C ATOM 0 H LEU A 13 -1.415 -3.189 -7.949 1.00 10.03 H new ATOM 0 HA LEU A 13 -2.390 -5.803 -8.371 1.00 53.22 H new ATOM 0 HB2 LEU A 13 -0.162 -4.764 -7.323 1.00 61.20 H new ATOM 0 HB3 LEU A 13 -1.042 -4.971 -5.822 1.00 61.20 H new ATOM 0 HG LEU A 13 0.330 -6.881 -6.088 1.00 41.51 H new ATOM 0 HD11 LEU A 13 -1.301 -8.722 -6.238 1.00 54.43 H new ATOM 0 HD12 LEU A 13 -1.925 -7.363 -5.273 1.00 54.43 H new ATOM 0 HD13 LEU A 13 -2.492 -7.603 -6.943 1.00 54.43 H new ATOM 0 HD21 LEU A 13 0.274 -8.317 -8.091 1.00 74.41 H new ATOM 0 HD22 LEU A 13 -0.855 -7.182 -8.868 1.00 74.41 H new ATOM 0 HD23 LEU A 13 0.802 -6.663 -8.480 1.00 74.41 H new ATOM 157 N ASP A 14 -3.662 -4.161 -5.813 1.00 3.33 N ATOM 158 CA ASP A 14 -4.753 -4.160 -4.846 1.00 12.34 C ATOM 159 C ASP A 14 -6.087 -4.442 -5.530 1.00 14.12 C ATOM 160 O ASP A 14 -6.836 -5.327 -5.115 1.00 62.24 O ATOM 161 CB ASP A 14 -4.815 -2.817 -4.116 1.00 10.23 C ATOM 162 CG ASP A 14 -5.502 -2.921 -2.768 1.00 24.22 C ATOM 163 OD1 ASP A 14 -4.896 -3.485 -1.835 1.00 70.04 O ATOM 164 OD2 ASP A 14 -6.648 -2.439 -2.648 1.00 62.10 O ATOM 0 H ASP A 14 -3.104 -3.307 -5.820 1.00 3.33 H new ATOM 0 HA ASP A 14 -4.563 -4.951 -4.121 1.00 12.34 H new ATOM 0 HB2 ASP A 14 -3.803 -2.436 -3.976 1.00 10.23 H new ATOM 0 HB3 ASP A 14 -5.345 -2.094 -4.736 1.00 10.23 H new ATOM 169 N LYS A 15 -6.380 -3.683 -6.581 1.00 20.33 N ATOM 170 CA LYS A 15 -7.623 -3.850 -7.324 1.00 61.12 C ATOM 171 C LYS A 15 -7.615 -5.157 -8.111 1.00 70.25 C ATOM 172 O LYS A 15 -8.616 -5.872 -8.155 1.00 32.53 O ATOM 173 CB LYS A 15 -7.835 -2.671 -8.276 1.00 72.11 C ATOM 174 CG LYS A 15 -8.993 -1.772 -7.883 1.00 2.22 C ATOM 175 CD LYS A 15 -8.756 -0.335 -8.313 1.00 32.31 C ATOM 176 CE LYS A 15 -7.923 0.423 -7.291 1.00 32.41 C ATOM 177 NZ LYS A 15 -8.657 0.617 -6.010 1.00 2.24 N ATOM 0 H LYS A 15 -5.772 -2.945 -6.937 1.00 20.33 H new ATOM 0 HA LYS A 15 -8.444 -3.882 -6.607 1.00 61.12 H new ATOM 0 HB2 LYS A 15 -6.922 -2.077 -8.314 1.00 72.11 H new ATOM 0 HB3 LYS A 15 -8.008 -3.054 -9.282 1.00 72.11 H new ATOM 0 HG2 LYS A 15 -9.912 -2.142 -8.338 1.00 2.22 H new ATOM 0 HG3 LYS A 15 -9.134 -1.811 -6.803 1.00 2.22 H new ATOM 0 HD2 LYS A 15 -8.250 -0.322 -9.278 1.00 32.31 H new ATOM 0 HD3 LYS A 15 -9.714 0.168 -8.448 1.00 32.31 H new ATOM 0 HE2 LYS A 15 -6.998 -0.122 -7.101 1.00 32.41 H new ATOM 0 HE3 LYS A 15 -7.643 1.394 -7.699 1.00 32.41 H new ATOM 0 HZ1 LYS A 15 -8.246 1.421 -5.493 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 -9.659 0.810 -6.210 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 -8.579 -0.243 -5.431 1.00 2.24 H new ATOM 191 N TRP A 16 -6.480 -5.463 -8.729 1.00 34.40 N ATOM 192 CA TRP A 16 -6.341 -6.685 -9.512 1.00 45.24 C ATOM 193 C TRP A 16 -6.767 -7.903 -8.701 1.00 60.11 C ATOM 194 O TRP A 16 -7.546 -8.733 -9.171 1.00 33.34 O ATOM 195 CB TRP A 16 -4.897 -6.852 -9.986 1.00 74.44 C ATOM 196 CG TRP A 16 -4.635 -8.173 -10.642 1.00 45.14 C ATOM 197 CD1 TRP A 16 -4.175 -9.310 -10.042 1.00 42.30 C ATOM 198 CD2 TRP A 16 -4.815 -8.493 -12.026 1.00 22.23 C ATOM 199 NE1 TRP A 16 -4.061 -10.318 -10.969 1.00 74.44 N ATOM 200 CE2 TRP A 16 -4.447 -9.842 -12.194 1.00 51.11 C ATOM 201 CE3 TRP A 16 -5.255 -7.772 -13.140 1.00 32.32 C ATOM 202 CZ2 TRP A 16 -4.504 -10.482 -13.429 1.00 24.14 C ATOM 203 CZ3 TRP A 16 -5.310 -8.408 -14.366 1.00 15.53 C ATOM 204 CH2 TRP A 16 -4.938 -9.752 -14.502 1.00 33.22 C ATOM 0 H TRP A 16 -5.642 -4.881 -8.703 1.00 34.40 H new ATOM 0 HA TRP A 16 -6.993 -6.605 -10.382 1.00 45.24 H new ATOM 0 HB2 TRP A 16 -4.658 -6.053 -10.687 1.00 74.44 H new ATOM 0 HB3 TRP A 16 -4.227 -6.739 -9.134 1.00 74.44 H new ATOM 0 HD1 TRP A 16 -3.936 -9.403 -8.993 1.00 42.30 H new ATOM 0 HE1 TRP A 16 -3.741 -11.267 -10.776 1.00 74.44 H new ATOM 0 HE3 TRP A 16 -5.547 -6.737 -13.044 1.00 32.32 H new ATOM 0 HZ2 TRP A 16 -4.216 -11.517 -13.536 1.00 24.14 H new ATOM 0 HZ3 TRP A 16 -5.645 -7.860 -15.234 1.00 15.53 H new ATOM 0 HH2 TRP A 16 -4.995 -10.221 -15.473 1.00 33.22 H new ATOM 215 N GLU A 17 -6.251 -8.005 -7.480 1.00 2.52 N ATOM 216 CA GLU A 17 -6.579 -9.124 -6.603 1.00 20.32 C ATOM 217 C GLU A 17 -8.072 -9.149 -6.288 1.00 44.00 C ATOM 218 O GLU A 17 -8.637 -10.200 -5.986 1.00 2.53 O ATOM 219 CB GLU A 17 -5.774 -9.037 -5.306 1.00 42.24 C ATOM 220 CG GLU A 17 -4.474 -9.823 -5.343 1.00 53.43 C ATOM 221 CD GLU A 17 -4.072 -10.351 -3.978 1.00 22.35 C ATOM 222 OE1 GLU A 17 -4.940 -10.919 -3.283 1.00 22.33 O ATOM 223 OE2 GLU A 17 -2.890 -10.196 -3.607 1.00 63.54 O ATOM 0 H GLU A 17 -5.605 -7.327 -7.076 1.00 2.52 H new ATOM 0 HA GLU A 17 -6.319 -10.047 -7.122 1.00 20.32 H new ATOM 0 HB2 GLU A 17 -5.551 -7.991 -5.096 1.00 42.24 H new ATOM 0 HB3 GLU A 17 -6.387 -9.403 -4.482 1.00 42.24 H new ATOM 0 HG2 GLU A 17 -4.578 -10.658 -6.035 1.00 53.43 H new ATOM 0 HG3 GLU A 17 -3.679 -9.186 -5.730 1.00 53.43 H new ATOM 230 N LYS A 18 -8.705 -7.983 -6.360 1.00 53.15 N ATOM 231 CA LYS A 18 -10.132 -7.868 -6.083 1.00 41.45 C ATOM 232 C LYS A 18 -10.957 -8.339 -7.276 1.00 45.55 C ATOM 233 O LYS A 18 -11.923 -9.087 -7.118 1.00 61.13 O ATOM 234 CB LYS A 18 -10.492 -6.421 -5.741 1.00 52.11 C ATOM 235 CG LYS A 18 -11.229 -6.273 -4.421 1.00 71.02 C ATOM 236 CD LYS A 18 -10.279 -6.367 -3.238 1.00 24.22 C ATOM 237 CE LYS A 18 -9.618 -5.028 -2.946 1.00 63.33 C ATOM 238 NZ LYS A 18 -9.053 -4.977 -1.570 1.00 15.53 N ATOM 0 H LYS A 18 -8.252 -7.104 -6.608 1.00 53.15 H new ATOM 0 HA LYS A 18 -10.363 -8.505 -5.229 1.00 41.45 H new ATOM 0 HB2 LYS A 18 -9.579 -5.827 -5.706 1.00 52.11 H new ATOM 0 HB3 LYS A 18 -11.109 -6.010 -6.540 1.00 52.11 H new ATOM 0 HG2 LYS A 18 -11.747 -5.314 -4.398 1.00 71.02 H new ATOM 0 HG3 LYS A 18 -11.991 -7.048 -4.340 1.00 71.02 H new ATOM 0 HD2 LYS A 18 -10.825 -6.704 -2.357 1.00 24.22 H new ATOM 0 HD3 LYS A 18 -9.513 -7.115 -3.444 1.00 24.22 H new ATOM 0 HE2 LYS A 18 -8.824 -4.849 -3.671 1.00 63.33 H new ATOM 0 HE3 LYS A 18 -10.348 -4.228 -3.069 1.00 63.33 H new ATOM 0 HZ1 LYS A 18 -8.612 -4.049 -1.410 1.00 15.53 H new ATOM 0 HZ2 LYS A 18 -9.814 -5.122 -0.877 1.00 15.53 H new ATOM 0 HZ3 LYS A 18 -8.338 -5.724 -1.461 1.00 15.53 H new ATOM 252 N ILE A 19 -10.570 -7.899 -8.468 1.00 61.24 N ATOM 253 CA ILE A 19 -11.273 -8.279 -9.687 1.00 11.14 C ATOM 254 C ILE A 19 -11.431 -9.792 -9.783 1.00 52.13 C ATOM 255 O ILE A 19 -10.494 -10.543 -9.507 1.00 2.33 O ATOM 256 CB ILE A 19 -10.539 -7.771 -10.942 1.00 31.55 C ATOM 257 CG1 ILE A 19 -10.396 -6.248 -10.894 1.00 14.10 C ATOM 258 CG2 ILE A 19 -11.280 -8.199 -12.200 1.00 72.10 C ATOM 259 CD1 ILE A 19 -9.329 -5.711 -11.823 1.00 72.42 C ATOM 0 H ILE A 19 -9.774 -7.279 -8.616 1.00 61.24 H new ATOM 0 HA ILE A 19 -12.258 -7.816 -9.639 1.00 11.14 H new ATOM 0 HB ILE A 19 -9.542 -8.211 -10.964 1.00 31.55 H new ATOM 0 HG12 ILE A 19 -11.353 -5.793 -11.151 1.00 14.10 H new ATOM 0 HG13 ILE A 19 -10.163 -5.945 -9.873 1.00 14.10 H new ATOM 0 HG21 ILE A 19 -10.748 -7.832 -13.078 1.00 72.10 H new ATOM 0 HG22 ILE A 19 -11.335 -9.287 -12.237 1.00 72.10 H new ATOM 0 HG23 ILE A 19 -12.288 -7.785 -12.187 1.00 72.10 H new ATOM 0 HD11 ILE A 19 -9.284 -4.625 -11.736 1.00 72.42 H new ATOM 0 HD12 ILE A 19 -8.363 -6.137 -11.553 1.00 72.42 H new ATOM 0 HD13 ILE A 19 -9.571 -5.983 -12.850 1.00 72.42 H new ATOM 271 N ARG A 20 -12.621 -10.234 -10.176 1.00 0.50 N ATOM 272 CA ARG A 20 -12.901 -11.659 -10.308 1.00 24.33 C ATOM 273 C ARG A 20 -12.854 -12.088 -11.772 1.00 30.32 C ATOM 274 O ARG A 20 -13.071 -11.279 -12.675 1.00 11.13 O ATOM 275 CB ARG A 20 -14.272 -11.988 -9.713 1.00 33.02 C ATOM 276 CG ARG A 20 -15.385 -11.083 -10.212 1.00 44.50 C ATOM 277 CD ARG A 20 -15.613 -9.909 -9.273 1.00 32.44 C ATOM 278 NE ARG A 20 -16.458 -10.269 -8.139 1.00 24.10 N ATOM 279 CZ ARG A 20 -16.505 -9.575 -7.007 1.00 64.52 C ATOM 280 NH1 ARG A 20 -15.758 -8.491 -6.860 1.00 12.34 N ATOM 281 NH2 ARG A 20 -17.301 -9.967 -6.020 1.00 64.34 N ATOM 0 H ARG A 20 -13.407 -9.626 -10.409 1.00 0.50 H new ATOM 0 HA ARG A 20 -12.134 -12.207 -9.761 1.00 24.33 H new ATOM 0 HB2 ARG A 20 -14.523 -13.022 -9.949 1.00 33.02 H new ATOM 0 HB3 ARG A 20 -14.215 -11.914 -8.627 1.00 33.02 H new ATOM 0 HG2 ARG A 20 -15.135 -10.712 -11.206 1.00 44.50 H new ATOM 0 HG3 ARG A 20 -16.306 -11.657 -10.308 1.00 44.50 H new ATOM 0 HD2 ARG A 20 -14.652 -9.546 -8.908 1.00 32.44 H new ATOM 0 HD3 ARG A 20 -16.075 -9.090 -9.823 1.00 32.44 H new ATOM 0 HE ARG A 20 -17.045 -11.099 -8.220 1.00 24.10 H new ATOM 0 HH11 ARG A 20 -15.145 -8.188 -7.617 1.00 12.34 H new ATOM 0 HH12 ARG A 20 -15.796 -7.960 -5.990 1.00 12.34 H new ATOM 0 HH21 ARG A 20 -17.877 -10.801 -6.130 1.00 64.34 H new ATOM 0 HH22 ARG A 20 -17.337 -9.434 -5.151 1.00 64.34 H new ATOM 295 N LEU A 21 -12.570 -13.365 -11.999 1.00 50.24 N ATOM 296 CA LEU A 21 -12.493 -13.903 -13.353 1.00 63.22 C ATOM 297 C LEU A 21 -13.865 -13.896 -14.020 1.00 2.04 C ATOM 298 O LEU A 21 -14.019 -13.409 -15.140 1.00 52.21 O ATOM 299 CB LEU A 21 -11.934 -15.327 -13.327 1.00 71.04 C ATOM 300 CG LEU A 21 -10.618 -15.517 -12.571 1.00 4.10 C ATOM 301 CD1 LEU A 21 -10.230 -16.987 -12.537 1.00 43.51 C ATOM 302 CD2 LEU A 21 -9.513 -14.687 -13.208 1.00 14.54 C ATOM 0 H LEU A 21 -12.389 -14.048 -11.263 1.00 50.24 H new ATOM 0 HA LEU A 21 -11.824 -13.267 -13.932 1.00 63.22 H new ATOM 0 HB2 LEU A 21 -12.683 -15.982 -12.883 1.00 71.04 H new ATOM 0 HB3 LEU A 21 -11.790 -15.659 -14.355 1.00 71.04 H new ATOM 0 HG LEU A 21 -10.757 -15.175 -11.545 1.00 4.10 H new ATOM 0 HD11 LEU A 21 -9.291 -17.103 -11.995 1.00 43.51 H new ATOM 0 HD12 LEU A 21 -11.011 -17.558 -12.036 1.00 43.51 H new ATOM 0 HD13 LEU A 21 -10.109 -17.355 -13.556 1.00 43.51 H new ATOM 0 HD21 LEU A 21 -8.584 -14.834 -12.657 1.00 14.54 H new ATOM 0 HD22 LEU A 21 -9.375 -14.999 -14.243 1.00 14.54 H new ATOM 0 HD23 LEU A 21 -9.788 -13.633 -13.180 1.00 14.54 H new ATOM 314 N ARG A 22 -14.859 -14.438 -13.323 1.00 13.24 N ATOM 315 CA ARG A 22 -16.218 -14.492 -13.847 1.00 63.21 C ATOM 316 C ARG A 22 -17.137 -13.549 -13.077 1.00 53.34 C ATOM 317 O ARG A 22 -16.848 -13.144 -11.950 1.00 70.50 O ATOM 318 CB ARG A 22 -16.759 -15.922 -13.772 1.00 25.44 C ATOM 319 CG ARG A 22 -16.557 -16.717 -15.053 1.00 34.13 C ATOM 320 CD ARG A 22 -17.826 -17.450 -15.458 1.00 24.45 C ATOM 321 NE ARG A 22 -17.942 -17.580 -16.909 1.00 63.14 N ATOM 322 CZ ARG A 22 -18.771 -18.430 -17.506 1.00 33.11 C ATOM 323 NH1 ARG A 22 -19.552 -19.218 -16.782 1.00 42.55 N ATOM 324 NH2 ARG A 22 -18.819 -18.491 -18.831 1.00 35.10 N ATOM 0 H ARG A 22 -14.748 -14.846 -12.395 1.00 13.24 H new ATOM 0 HA ARG A 22 -16.191 -14.174 -14.889 1.00 63.21 H new ATOM 0 HB2 ARG A 22 -16.270 -16.444 -12.949 1.00 25.44 H new ATOM 0 HB3 ARG A 22 -17.823 -15.887 -13.540 1.00 25.44 H new ATOM 0 HG2 ARG A 22 -16.251 -16.045 -15.855 1.00 34.13 H new ATOM 0 HG3 ARG A 22 -15.749 -17.435 -14.913 1.00 34.13 H new ATOM 0 HD2 ARG A 22 -17.834 -18.441 -15.003 1.00 24.45 H new ATOM 0 HD3 ARG A 22 -18.693 -16.915 -15.071 1.00 24.45 H new ATOM 0 HE ARG A 22 -17.355 -16.986 -17.495 1.00 63.14 H new ATOM 0 HH11 ARG A 22 -19.518 -19.173 -15.764 1.00 42.55 H new ATOM 0 HH12 ARG A 22 -20.187 -19.869 -17.243 1.00 42.55 H new ATOM 0 HH21 ARG A 22 -18.219 -17.885 -19.391 1.00 35.10 H new ATOM 0 HH22 ARG A 22 -19.455 -19.144 -19.289 1.00 35.10 H new ATOM 338 N PRO A 23 -18.270 -13.188 -13.697 1.00 44.41 N ATOM 339 CA PRO A 23 -19.254 -12.288 -13.088 1.00 52.15 C ATOM 340 C PRO A 23 -19.984 -12.936 -11.916 1.00 10.35 C ATOM 341 O PRO A 23 -20.349 -12.265 -10.952 1.00 60.21 O ATOM 342 CB PRO A 23 -20.228 -12.001 -14.233 1.00 12.10 C ATOM 343 CG PRO A 23 -20.110 -13.180 -15.135 1.00 24.22 C ATOM 344 CD PRO A 23 -18.679 -13.632 -15.039 1.00 63.04 C ATOM 0 HA PRO A 23 -18.788 -11.394 -12.673 1.00 52.15 H new ATOM 0 HB2 PRO A 23 -21.248 -11.884 -13.866 1.00 12.10 H new ATOM 0 HB3 PRO A 23 -19.968 -11.078 -14.752 1.00 12.10 H new ATOM 0 HG2 PRO A 23 -20.792 -13.974 -14.831 1.00 24.22 H new ATOM 0 HG3 PRO A 23 -20.368 -12.915 -16.160 1.00 24.22 H new ATOM 0 HD2 PRO A 23 -18.591 -14.713 -15.149 1.00 63.04 H new ATOM 0 HD3 PRO A 23 -18.062 -13.181 -15.817 1.00 63.04 H new ATOM 352 N GLY A 24 -20.195 -14.246 -12.006 1.00 62.11 N ATOM 353 CA GLY A 24 -20.881 -14.962 -10.947 1.00 41.21 C ATOM 354 C GLY A 24 -20.111 -16.180 -10.478 1.00 23.10 C ATOM 355 O GLY A 24 -20.689 -17.247 -10.271 1.00 5.43 O ATOM 0 H GLY A 24 -19.903 -14.824 -12.794 1.00 62.11 H new ATOM 0 HA2 GLY A 24 -21.042 -14.291 -10.104 1.00 41.21 H new ATOM 0 HA3 GLY A 24 -21.865 -15.272 -11.300 1.00 41.21 H new ATOM 359 N GLY A 25 -18.801 -16.023 -10.311 1.00 2.32 N ATOM 360 CA GLY A 25 -17.973 -17.129 -9.867 1.00 14.24 C ATOM 361 C GLY A 25 -17.407 -16.907 -8.477 1.00 44.44 C ATOM 362 O GLY A 25 -17.822 -15.990 -7.769 1.00 15.20 O ATOM 0 H GLY A 25 -18.299 -15.150 -10.475 1.00 2.32 H new ATOM 0 HA2 GLY A 25 -18.562 -18.046 -9.874 1.00 14.24 H new ATOM 0 HA3 GLY A 25 -17.153 -17.271 -10.571 1.00 14.24 H new ATOM 366 N LYS A 26 -16.459 -17.752 -8.085 1.00 64.30 N ATOM 367 CA LYS A 26 -15.836 -17.646 -6.771 1.00 34.54 C ATOM 368 C LYS A 26 -14.320 -17.780 -6.877 1.00 40.54 C ATOM 369 O LYS A 26 -13.693 -18.490 -6.089 1.00 3.20 O ATOM 370 CB LYS A 26 -16.390 -18.720 -5.833 1.00 14.53 C ATOM 371 CG LYS A 26 -16.079 -18.466 -4.368 1.00 2.41 C ATOM 372 CD LYS A 26 -17.299 -18.696 -3.491 1.00 20.12 C ATOM 373 CE LYS A 26 -17.136 -18.041 -2.127 1.00 41.41 C ATOM 374 NZ LYS A 26 -18.285 -17.152 -1.797 1.00 63.44 N ATOM 0 H LYS A 26 -16.106 -18.518 -8.659 1.00 64.30 H new ATOM 0 HA LYS A 26 -16.069 -16.662 -6.363 1.00 34.54 H new ATOM 0 HB2 LYS A 26 -17.471 -18.780 -5.961 1.00 14.53 H new ATOM 0 HB3 LYS A 26 -15.980 -19.688 -6.120 1.00 14.53 H new ATOM 0 HG2 LYS A 26 -15.270 -19.123 -4.048 1.00 2.41 H new ATOM 0 HG3 LYS A 26 -15.727 -17.442 -4.242 1.00 2.41 H new ATOM 0 HD2 LYS A 26 -18.184 -18.295 -3.985 1.00 20.12 H new ATOM 0 HD3 LYS A 26 -17.461 -19.766 -3.365 1.00 20.12 H new ATOM 0 HE2 LYS A 26 -17.043 -18.812 -1.363 1.00 41.41 H new ATOM 0 HE3 LYS A 26 -16.213 -17.462 -2.110 1.00 41.41 H new ATOM 0 HZ1 LYS A 26 -18.136 -16.725 -0.860 1.00 63.44 H new ATOM 0 HZ2 LYS A 26 -18.359 -16.401 -2.512 1.00 63.44 H new ATOM 0 HZ3 LYS A 26 -19.163 -17.709 -1.788 1.00 63.44 H new ATOM 388 N LYS A 27 -13.736 -17.094 -7.852 1.00 31.31 N ATOM 389 CA LYS A 27 -12.293 -17.134 -8.059 1.00 51.04 C ATOM 390 C LYS A 27 -11.758 -15.755 -8.431 1.00 22.02 C ATOM 391 O LYS A 27 -11.906 -15.309 -9.569 1.00 1.41 O ATOM 392 CB LYS A 27 -11.942 -18.142 -9.156 1.00 74.21 C ATOM 393 CG LYS A 27 -10.622 -18.858 -8.925 1.00 31.14 C ATOM 394 CD LYS A 27 -10.003 -19.320 -10.233 1.00 40.04 C ATOM 395 CE LYS A 27 -9.589 -20.783 -10.167 1.00 35.41 C ATOM 396 NZ LYS A 27 -8.432 -21.072 -11.059 1.00 13.14 N ATOM 0 H LYS A 27 -14.240 -16.503 -8.513 1.00 31.31 H new ATOM 0 HA LYS A 27 -11.826 -17.446 -7.125 1.00 51.04 H new ATOM 0 HB2 LYS A 27 -12.739 -18.882 -9.227 1.00 74.21 H new ATOM 0 HB3 LYS A 27 -11.902 -17.624 -10.114 1.00 74.21 H new ATOM 0 HG2 LYS A 27 -9.931 -18.191 -8.410 1.00 31.14 H new ATOM 0 HG3 LYS A 27 -10.782 -19.717 -8.273 1.00 31.14 H new ATOM 0 HD2 LYS A 27 -10.717 -19.179 -11.045 1.00 40.04 H new ATOM 0 HD3 LYS A 27 -9.133 -18.704 -10.463 1.00 40.04 H new ATOM 0 HE2 LYS A 27 -9.330 -21.041 -9.140 1.00 35.41 H new ATOM 0 HE3 LYS A 27 -10.433 -21.412 -10.451 1.00 35.41 H new ATOM 0 HZ1 LYS A 27 -8.180 -22.078 -10.986 1.00 13.14 H new ATOM 0 HZ2 LYS A 27 -8.688 -20.850 -12.042 1.00 13.14 H new ATOM 0 HZ3 LYS A 27 -7.619 -20.490 -10.773 1.00 13.14 H new ATOM 410 N GLN A 28 -11.134 -15.087 -7.467 1.00 54.41 N ATOM 411 CA GLN A 28 -10.576 -13.759 -7.695 1.00 43.33 C ATOM 412 C GLN A 28 -9.312 -13.838 -8.542 1.00 63.23 C ATOM 413 O GLN A 28 -8.771 -14.921 -8.770 1.00 42.52 O ATOM 414 CB GLN A 28 -10.269 -13.075 -6.360 1.00 65.23 C ATOM 415 CG GLN A 28 -11.411 -13.153 -5.361 1.00 14.55 C ATOM 416 CD GLN A 28 -11.061 -13.975 -4.136 1.00 44.00 C ATOM 417 OE1 GLN A 28 -11.355 -15.170 -4.073 1.00 14.32 O ATOM 418 NE2 GLN A 28 -10.429 -13.340 -3.157 1.00 0.11 N ATOM 0 H GLN A 28 -11.002 -15.443 -6.520 1.00 54.41 H new ATOM 0 HA GLN A 28 -11.317 -13.169 -8.235 1.00 43.33 H new ATOM 0 HB2 GLN A 28 -9.382 -13.533 -5.922 1.00 65.23 H new ATOM 0 HB3 GLN A 28 -10.029 -12.028 -6.544 1.00 65.23 H new ATOM 0 HG2 GLN A 28 -11.686 -12.145 -5.051 1.00 14.55 H new ATOM 0 HG3 GLN A 28 -12.285 -13.587 -5.847 1.00 14.55 H new ATOM 0 HE21 GLN A 28 -10.206 -12.349 -3.252 1.00 0.11 H new ATOM 0 HE22 GLN A 28 -10.167 -13.843 -2.309 1.00 0.11 H new ATOM 427 N TYR A 29 -8.845 -12.685 -9.007 1.00 73.41 N ATOM 428 CA TYR A 29 -7.644 -12.625 -9.833 1.00 32.54 C ATOM 429 C TYR A 29 -6.386 -12.686 -8.971 1.00 23.23 C ATOM 430 O TYR A 29 -6.377 -12.219 -7.831 1.00 63.03 O ATOM 431 CB TYR A 29 -7.639 -11.345 -10.671 1.00 12.23 C ATOM 432 CG TYR A 29 -8.075 -11.556 -12.103 1.00 45.55 C ATOM 433 CD1 TYR A 29 -7.217 -12.130 -13.033 1.00 54.55 C ATOM 434 CD2 TYR A 29 -9.344 -11.183 -12.526 1.00 21.14 C ATOM 435 CE1 TYR A 29 -7.610 -12.326 -14.342 1.00 31.01 C ATOM 436 CE2 TYR A 29 -9.746 -11.375 -13.834 1.00 0.41 C ATOM 437 CZ TYR A 29 -8.876 -11.946 -14.737 1.00 64.45 C ATOM 438 OH TYR A 29 -9.272 -12.139 -16.042 1.00 2.30 O ATOM 0 H TYR A 29 -9.279 -11.780 -8.827 1.00 73.41 H new ATOM 0 HA TYR A 29 -7.649 -13.488 -10.499 1.00 32.54 H new ATOM 0 HB2 TYR A 29 -8.297 -10.613 -10.204 1.00 12.23 H new ATOM 0 HB3 TYR A 29 -6.635 -10.921 -10.665 1.00 12.23 H new ATOM 0 HD1 TYR A 29 -6.225 -12.428 -12.727 1.00 54.55 H new ATOM 0 HD2 TYR A 29 -10.028 -10.735 -11.821 1.00 21.14 H new ATOM 0 HE1 TYR A 29 -6.931 -12.774 -15.052 1.00 31.01 H new ATOM 0 HE2 TYR A 29 -10.737 -11.079 -14.147 1.00 0.41 H new ATOM 0 HH TYR A 29 -10.224 -11.924 -16.130 1.00 2.30 H new ATOM 448 N LYS A 30 -5.325 -13.263 -9.524 1.00 22.40 N ATOM 449 CA LYS A 30 -4.061 -13.385 -8.810 1.00 75.31 C ATOM 450 C LYS A 30 -2.881 -13.292 -9.772 1.00 73.30 C ATOM 451 O LYS A 30 -3.046 -13.417 -10.986 1.00 71.14 O ATOM 452 CB LYS A 30 -4.007 -14.711 -8.048 1.00 72.24 C ATOM 453 CG LYS A 30 -4.091 -14.550 -6.539 1.00 21.02 C ATOM 454 CD LYS A 30 -3.574 -15.783 -5.817 1.00 32.33 C ATOM 455 CE LYS A 30 -4.436 -17.002 -6.108 1.00 54.10 C ATOM 456 NZ LYS A 30 -5.867 -16.761 -5.774 1.00 75.43 N ATOM 0 H LYS A 30 -5.316 -13.654 -10.466 1.00 22.40 H new ATOM 0 HA LYS A 30 -3.994 -12.561 -8.099 1.00 75.31 H new ATOM 0 HB2 LYS A 30 -4.827 -15.347 -8.383 1.00 72.24 H new ATOM 0 HB3 LYS A 30 -3.080 -15.227 -8.299 1.00 72.24 H new ATOM 0 HG2 LYS A 30 -3.513 -13.678 -6.232 1.00 21.02 H new ATOM 0 HG3 LYS A 30 -5.125 -14.364 -6.249 1.00 21.02 H new ATOM 0 HD2 LYS A 30 -2.547 -15.981 -6.123 1.00 32.33 H new ATOM 0 HD3 LYS A 30 -3.556 -15.596 -4.743 1.00 32.33 H new ATOM 0 HE2 LYS A 30 -4.348 -17.266 -7.162 1.00 54.10 H new ATOM 0 HE3 LYS A 30 -4.067 -17.853 -5.535 1.00 54.10 H new ATOM 0 HZ1 LYS A 30 -6.370 -17.670 -5.724 1.00 75.43 H new ATOM 0 HZ2 LYS A 30 -5.932 -16.278 -4.855 1.00 75.43 H new ATOM 0 HZ3 LYS A 30 -6.300 -16.166 -6.509 1.00 75.43 H new ATOM 470 N LEU A 31 -1.691 -13.074 -9.223 1.00 13.03 N ATOM 471 CA LEU A 31 -0.483 -12.965 -10.033 1.00 74.35 C ATOM 472 C LEU A 31 -0.342 -14.165 -10.964 1.00 20.11 C ATOM 473 O LEU A 31 0.205 -14.052 -12.062 1.00 51.52 O ATOM 474 CB LEU A 31 0.750 -12.857 -9.133 1.00 62.22 C ATOM 475 CG LEU A 31 1.147 -11.443 -8.707 1.00 55.35 C ATOM 476 CD1 LEU A 31 2.050 -11.489 -7.484 1.00 35.32 C ATOM 477 CD2 LEU A 31 1.834 -10.713 -9.852 1.00 42.31 C ATOM 0 H LEU A 31 -1.537 -12.969 -8.220 1.00 13.03 H new ATOM 0 HA LEU A 31 -0.563 -12.064 -10.641 1.00 74.35 H new ATOM 0 HB2 LEU A 31 0.573 -13.449 -8.235 1.00 62.22 H new ATOM 0 HB3 LEU A 31 1.595 -13.309 -9.652 1.00 62.22 H new ATOM 0 HG LEU A 31 0.242 -10.895 -8.446 1.00 55.35 H new ATOM 0 HD11 LEU A 31 2.323 -10.474 -7.195 1.00 35.32 H new ATOM 0 HD12 LEU A 31 1.523 -11.972 -6.661 1.00 35.32 H new ATOM 0 HD13 LEU A 31 2.952 -12.054 -7.719 1.00 35.32 H new ATOM 0 HD21 LEU A 31 2.109 -9.709 -9.530 1.00 42.31 H new ATOM 0 HD22 LEU A 31 2.731 -11.259 -10.145 1.00 42.31 H new ATOM 0 HD23 LEU A 31 1.155 -10.648 -10.702 1.00 42.31 H new ATOM 489 N LYS A 32 -0.842 -15.313 -10.521 1.00 43.10 N ATOM 490 CA LYS A 32 -0.777 -16.534 -11.315 1.00 22.21 C ATOM 491 C LYS A 32 -1.323 -16.299 -12.720 1.00 24.34 C ATOM 492 O LYS A 32 -0.814 -16.852 -13.696 1.00 30.11 O ATOM 493 CB LYS A 32 -1.563 -17.655 -10.632 1.00 2.24 C ATOM 494 CG LYS A 32 -1.453 -18.995 -11.339 1.00 32.04 C ATOM 495 CD LYS A 32 -0.268 -19.798 -10.831 1.00 72.12 C ATOM 496 CE LYS A 32 1.007 -19.441 -11.578 1.00 72.44 C ATOM 497 NZ LYS A 32 1.900 -20.622 -11.746 1.00 51.31 N ATOM 0 H LYS A 32 -1.297 -15.424 -9.615 1.00 43.10 H new ATOM 0 HA LYS A 32 0.269 -16.830 -11.395 1.00 22.21 H new ATOM 0 HB2 LYS A 32 -1.207 -17.764 -9.607 1.00 2.24 H new ATOM 0 HB3 LYS A 32 -2.613 -17.369 -10.576 1.00 2.24 H new ATOM 0 HG2 LYS A 32 -2.371 -19.564 -11.188 1.00 32.04 H new ATOM 0 HG3 LYS A 32 -1.351 -18.834 -12.412 1.00 32.04 H new ATOM 0 HD2 LYS A 32 -0.131 -19.612 -9.766 1.00 72.12 H new ATOM 0 HD3 LYS A 32 -0.472 -20.863 -10.946 1.00 72.12 H new ATOM 0 HE2 LYS A 32 0.753 -19.035 -12.557 1.00 72.44 H new ATOM 0 HE3 LYS A 32 1.538 -18.658 -11.037 1.00 72.44 H new ATOM 0 HZ1 LYS A 32 2.758 -20.338 -12.260 1.00 51.31 H new ATOM 0 HZ2 LYS A 32 2.163 -20.994 -10.811 1.00 51.31 H new ATOM 0 HZ3 LYS A 32 1.402 -21.360 -12.285 1.00 51.31 H new ATOM 511 N HIS A 33 -2.362 -15.475 -12.817 1.00 52.01 N ATOM 512 CA HIS A 33 -2.976 -15.165 -14.103 1.00 4.14 C ATOM 513 C HIS A 33 -2.124 -14.170 -14.885 1.00 22.20 C ATOM 514 O HIS A 33 -2.097 -14.290 -16.111 1.00 12.11 O ATOM 515 CB HIS A 33 -4.382 -14.598 -13.898 1.00 15.42 C ATOM 516 CG HIS A 33 -5.207 -15.383 -12.925 1.00 21.13 C ATOM 517 ND1 HIS A 33 -5.987 -14.793 -11.952 1.00 71.23 N ATOM 518 CD2 HIS A 33 -5.374 -16.718 -12.779 1.00 24.44 C ATOM 519 CE1 HIS A 33 -6.595 -15.733 -11.250 1.00 13.55 C ATOM 520 NE2 HIS A 33 -6.241 -16.909 -11.733 1.00 51.02 N ATOM 0 H HIS A 33 -2.796 -15.010 -12.020 1.00 52.01 H new ATOM 0 HA HIS A 33 -3.045 -16.089 -14.677 1.00 4.14 H new ATOM 0 HB2 HIS A 33 -4.303 -13.569 -13.548 1.00 15.42 H new ATOM 0 HB3 HIS A 33 -4.897 -14.569 -14.858 1.00 15.42 H new ATOM 0 HD2 HIS A 33 -4.911 -17.490 -13.375 1.00 24.44 H new ATOM 0 HE1 HIS A 33 -7.268 -15.567 -10.421 1.00 13.55 H new ATOM 0 HE2 HIS A 33 -6.560 -17.813 -11.385 1.00 51.02 H new ATOM 528 N ILE A 34 -1.451 -13.227 -14.235 1.00 33.55 N ATOM 529 CA ILE A 34 -0.623 -12.256 -14.941 1.00 40.25 C ATOM 530 C ILE A 34 0.585 -12.928 -15.584 1.00 3.51 C ATOM 531 O ILE A 34 1.004 -12.558 -16.681 1.00 54.31 O ATOM 532 CB ILE A 34 -0.134 -11.143 -13.996 1.00 33.25 C ATOM 533 CG1 ILE A 34 -1.311 -10.543 -13.225 1.00 4.21 C ATOM 534 CG2 ILE A 34 0.594 -10.062 -14.783 1.00 63.44 C ATOM 535 CD1 ILE A 34 -0.898 -9.529 -12.182 1.00 51.22 C ATOM 0 H ILE A 34 -1.462 -13.114 -13.221 1.00 33.55 H new ATOM 0 HA ILE A 34 -1.247 -11.815 -15.719 1.00 40.25 H new ATOM 0 HB ILE A 34 0.563 -11.577 -13.279 1.00 33.25 H new ATOM 0 HG12 ILE A 34 -1.993 -10.069 -13.931 1.00 4.21 H new ATOM 0 HG13 ILE A 34 -1.864 -11.347 -12.739 1.00 4.21 H new ATOM 0 HG21 ILE A 34 0.934 -9.282 -14.101 1.00 63.44 H new ATOM 0 HG22 ILE A 34 1.453 -10.499 -15.292 1.00 63.44 H new ATOM 0 HG23 ILE A 34 -0.083 -9.630 -15.520 1.00 63.44 H new ATOM 0 HD11 ILE A 34 -1.784 -9.146 -11.676 1.00 51.22 H new ATOM 0 HD12 ILE A 34 -0.240 -10.003 -11.454 1.00 51.22 H new ATOM 0 HD13 ILE A 34 -0.371 -8.705 -12.664 1.00 51.22 H new ATOM 547 N VAL A 35 1.140 -13.920 -14.895 1.00 44.11 N ATOM 548 CA VAL A 35 2.299 -14.647 -15.400 1.00 22.10 C ATOM 549 C VAL A 35 1.883 -15.705 -16.418 1.00 33.05 C ATOM 550 O VAL A 35 2.577 -15.932 -17.409 1.00 11.42 O ATOM 551 CB VAL A 35 3.076 -15.329 -14.258 1.00 35.35 C ATOM 552 CG1 VAL A 35 4.259 -16.110 -14.810 1.00 55.22 C ATOM 553 CG2 VAL A 35 3.536 -14.297 -13.239 1.00 11.12 C ATOM 0 H VAL A 35 0.806 -14.239 -13.986 1.00 44.11 H new ATOM 0 HA VAL A 35 2.946 -13.915 -15.883 1.00 22.10 H new ATOM 0 HB VAL A 35 2.411 -16.031 -13.756 1.00 35.35 H new ATOM 0 HG11 VAL A 35 4.796 -16.585 -13.989 1.00 55.22 H new ATOM 0 HG12 VAL A 35 3.901 -16.874 -15.500 1.00 55.22 H new ATOM 0 HG13 VAL A 35 4.929 -15.431 -15.337 1.00 55.22 H new ATOM 0 HG21 VAL A 35 4.083 -14.795 -12.439 1.00 11.12 H new ATOM 0 HG22 VAL A 35 4.186 -13.570 -13.726 1.00 11.12 H new ATOM 0 HG23 VAL A 35 2.668 -13.786 -12.822 1.00 11.12 H new ATOM 563 N TRP A 36 0.748 -16.345 -16.166 1.00 50.04 N ATOM 564 CA TRP A 36 0.239 -17.378 -17.061 1.00 62.24 C ATOM 565 C TRP A 36 0.074 -16.839 -18.478 1.00 13.32 C ATOM 566 O TRP A 36 0.265 -17.563 -19.454 1.00 5.42 O ATOM 567 CB TRP A 36 -1.098 -17.914 -16.547 1.00 71.14 C ATOM 568 CG TRP A 36 -1.776 -18.842 -17.509 1.00 22.44 C ATOM 569 CD1 TRP A 36 -1.757 -20.207 -17.484 1.00 64.43 C ATOM 570 CD2 TRP A 36 -2.571 -18.471 -18.641 1.00 74.21 C ATOM 571 NE1 TRP A 36 -2.493 -20.707 -18.532 1.00 53.51 N ATOM 572 CE2 TRP A 36 -3.003 -19.662 -19.255 1.00 24.34 C ATOM 573 CE3 TRP A 36 -2.962 -17.248 -19.193 1.00 32.24 C ATOM 574 CZ2 TRP A 36 -3.805 -19.664 -20.395 1.00 52.22 C ATOM 575 CZ3 TRP A 36 -3.757 -17.251 -20.324 1.00 51.01 C ATOM 576 CH2 TRP A 36 -4.172 -18.452 -20.913 1.00 64.44 C ATOM 0 H TRP A 36 0.162 -16.168 -15.350 1.00 50.04 H new ATOM 0 HA TRP A 36 0.964 -18.192 -17.085 1.00 62.24 H new ATOM 0 HB2 TRP A 36 -0.934 -18.436 -15.604 1.00 71.14 H new ATOM 0 HB3 TRP A 36 -1.760 -17.075 -16.335 1.00 71.14 H new ATOM 0 HD1 TRP A 36 -1.240 -20.806 -16.749 1.00 64.43 H new ATOM 0 HE1 TRP A 36 -2.636 -21.696 -18.738 1.00 53.51 H new ATOM 0 HE3 TRP A 36 -2.649 -16.317 -18.744 1.00 32.24 H new ATOM 0 HZ2 TRP A 36 -4.125 -20.588 -20.853 1.00 52.22 H new ATOM 0 HZ3 TRP A 36 -4.063 -16.312 -20.761 1.00 51.01 H new ATOM 0 HH2 TRP A 36 -4.795 -18.421 -21.795 1.00 64.44 H new ATOM 587 N ALA A 37 -0.282 -15.563 -18.582 1.00 34.32 N ATOM 588 CA ALA A 37 -0.471 -14.925 -19.879 1.00 4.11 C ATOM 589 C ALA A 37 0.861 -14.465 -20.464 1.00 5.31 C ATOM 590 O ALA A 37 1.061 -14.499 -21.678 1.00 23.25 O ATOM 591 CB ALA A 37 -1.429 -13.750 -19.756 1.00 42.55 C ATOM 0 H ALA A 37 -0.445 -14.950 -17.783 1.00 34.32 H new ATOM 0 HA ALA A 37 -0.902 -15.661 -20.558 1.00 4.11 H new ATOM 0 HB1 ALA A 37 -1.560 -13.284 -20.732 1.00 42.55 H new ATOM 0 HB2 ALA A 37 -2.393 -14.103 -19.390 1.00 42.55 H new ATOM 0 HB3 ALA A 37 -1.021 -13.020 -19.057 1.00 42.55 H new ATOM 597 N SER A 38 1.768 -14.036 -19.593 1.00 4.44 N ATOM 598 CA SER A 38 3.078 -13.565 -20.024 1.00 33.31 C ATOM 599 C SER A 38 3.851 -14.677 -20.725 1.00 61.42 C ATOM 600 O SER A 38 4.552 -14.436 -21.708 1.00 70.31 O ATOM 601 CB SER A 38 3.877 -13.050 -18.825 1.00 34.53 C ATOM 602 OG SER A 38 5.268 -13.252 -19.014 1.00 44.22 O ATOM 0 H SER A 38 1.619 -14.005 -18.584 1.00 4.44 H new ATOM 0 HA SER A 38 2.930 -12.749 -20.731 1.00 33.31 H new ATOM 0 HB2 SER A 38 3.677 -11.988 -18.680 1.00 34.53 H new ATOM 0 HB3 SER A 38 3.552 -13.563 -17.920 1.00 34.53 H new ATOM 0 HG SER A 38 5.757 -12.913 -18.235 1.00 44.22 H new ATOM 608 N ARG A 39 3.719 -15.896 -20.213 1.00 41.41 N ATOM 609 CA ARG A 39 4.406 -17.046 -20.788 1.00 2.20 C ATOM 610 C ARG A 39 3.739 -17.481 -22.090 1.00 75.24 C ATOM 611 O ARG A 39 4.382 -18.071 -22.959 1.00 14.23 O ATOM 612 CB ARG A 39 4.416 -18.210 -19.795 1.00 52.31 C ATOM 613 CG ARG A 39 5.491 -18.090 -18.727 1.00 35.42 C ATOM 614 CD ARG A 39 6.544 -19.177 -18.872 1.00 72.25 C ATOM 615 NE ARG A 39 7.530 -18.853 -19.900 1.00 40.20 N ATOM 616 CZ ARG A 39 8.585 -19.611 -20.171 1.00 71.44 C ATOM 617 NH1 ARG A 39 8.791 -20.733 -19.494 1.00 64.34 N ATOM 618 NH2 ARG A 39 9.438 -19.249 -21.121 1.00 33.23 N ATOM 0 H ARG A 39 3.142 -16.113 -19.400 1.00 41.41 H new ATOM 0 HA ARG A 39 5.433 -16.753 -21.005 1.00 2.20 H new ATOM 0 HB2 ARG A 39 3.441 -18.273 -19.312 1.00 52.31 H new ATOM 0 HB3 ARG A 39 4.561 -19.142 -20.342 1.00 52.31 H new ATOM 0 HG2 ARG A 39 5.965 -17.111 -18.795 1.00 35.42 H new ATOM 0 HG3 ARG A 39 5.033 -18.155 -17.740 1.00 35.42 H new ATOM 0 HD2 ARG A 39 7.050 -19.321 -17.917 1.00 72.25 H new ATOM 0 HD3 ARG A 39 6.058 -20.121 -19.121 1.00 72.25 H new ATOM 0 HE ARG A 39 7.400 -17.997 -20.439 1.00 40.20 H new ATOM 0 HH11 ARG A 39 8.138 -21.015 -18.763 1.00 64.34 H new ATOM 0 HH12 ARG A 39 9.603 -21.314 -19.704 1.00 64.34 H new ATOM 0 HH21 ARG A 39 9.283 -18.387 -21.644 1.00 33.23 H new ATOM 0 HH22 ARG A 39 10.248 -19.833 -21.328 1.00 33.23 H new ATOM 632 N GLU A 40 2.451 -17.186 -22.217 1.00 5.34 N ATOM 633 CA GLU A 40 1.698 -17.548 -23.413 1.00 52.11 C ATOM 634 C GLU A 40 1.866 -16.492 -24.502 1.00 40.24 C ATOM 635 O GLU A 40 1.739 -16.785 -25.691 1.00 4.34 O ATOM 636 CB GLU A 40 0.215 -17.719 -23.078 1.00 52.44 C ATOM 637 CG GLU A 40 -0.430 -18.914 -23.759 1.00 54.12 C ATOM 638 CD GLU A 40 0.173 -20.233 -23.315 1.00 3.41 C ATOM 639 OE1 GLU A 40 0.922 -20.238 -22.317 1.00 1.20 O ATOM 640 OE2 GLU A 40 -0.107 -21.262 -23.967 1.00 34.15 O ATOM 0 H GLU A 40 1.906 -16.697 -21.507 1.00 5.34 H new ATOM 0 HA GLU A 40 2.090 -18.495 -23.785 1.00 52.11 H new ATOM 0 HB2 GLU A 40 0.105 -17.824 -21.999 1.00 52.44 H new ATOM 0 HB3 GLU A 40 -0.320 -16.815 -23.367 1.00 52.44 H new ATOM 0 HG2 GLU A 40 -1.499 -18.917 -23.545 1.00 54.12 H new ATOM 0 HG3 GLU A 40 -0.322 -18.814 -24.839 1.00 54.12 H new ATOM 647 N LEU A 41 2.153 -15.263 -24.086 1.00 24.54 N ATOM 648 CA LEU A 41 2.338 -14.162 -25.025 1.00 4.51 C ATOM 649 C LEU A 41 3.623 -14.342 -25.828 1.00 2.44 C ATOM 650 O LEU A 41 3.619 -14.233 -27.054 1.00 71.04 O ATOM 651 CB LEU A 41 2.373 -12.828 -24.277 1.00 1.11 C ATOM 652 CG LEU A 41 1.064 -12.039 -24.252 1.00 24.52 C ATOM 653 CD1 LEU A 41 1.227 -10.760 -23.445 1.00 11.52 C ATOM 654 CD2 LEU A 41 0.605 -11.722 -25.668 1.00 4.32 C ATOM 0 H LEU A 41 2.263 -15.004 -23.105 1.00 24.54 H new ATOM 0 HA LEU A 41 1.496 -14.161 -25.717 1.00 4.51 H new ATOM 0 HB2 LEU A 41 2.679 -13.019 -23.248 1.00 1.11 H new ATOM 0 HB3 LEU A 41 3.143 -12.202 -24.727 1.00 1.11 H new ATOM 0 HG LEU A 41 0.302 -12.653 -23.773 1.00 24.52 H new ATOM 0 HD11 LEU A 41 0.285 -10.211 -23.438 1.00 11.52 H new ATOM 0 HD12 LEU A 41 1.509 -11.009 -22.422 1.00 11.52 H new ATOM 0 HD13 LEU A 41 2.004 -10.142 -23.896 1.00 11.52 H new ATOM 0 HD21 LEU A 41 -0.328 -11.160 -25.631 1.00 4.32 H new ATOM 0 HD22 LEU A 41 1.367 -11.128 -26.173 1.00 4.32 H new ATOM 0 HD23 LEU A 41 0.447 -12.651 -26.216 1.00 4.32 H new ATOM 666 N GLU A 42 4.718 -14.618 -25.128 1.00 53.42 N ATOM 667 CA GLU A 42 6.009 -14.814 -25.777 1.00 73.41 C ATOM 668 C GLU A 42 5.925 -15.910 -26.835 1.00 30.43 C ATOM 669 O GLU A 42 6.700 -15.924 -27.792 1.00 43.04 O ATOM 670 CB GLU A 42 7.076 -15.172 -24.741 1.00 53.01 C ATOM 671 CG GLU A 42 8.246 -14.202 -24.711 1.00 0.04 C ATOM 672 CD GLU A 42 9.457 -14.725 -25.456 1.00 21.52 C ATOM 673 OE1 GLU A 42 9.909 -15.846 -25.142 1.00 5.12 O ATOM 674 OE2 GLU A 42 9.955 -14.013 -26.354 1.00 54.13 O ATOM 0 H GLU A 42 4.737 -14.711 -24.112 1.00 53.42 H new ATOM 0 HA GLU A 42 6.286 -13.880 -26.266 1.00 73.41 H new ATOM 0 HB2 GLU A 42 6.615 -15.203 -23.754 1.00 53.01 H new ATOM 0 HB3 GLU A 42 7.451 -16.174 -24.950 1.00 53.01 H new ATOM 0 HG2 GLU A 42 7.937 -13.253 -25.149 1.00 0.04 H new ATOM 0 HG3 GLU A 42 8.520 -14.001 -23.675 1.00 0.04 H new ATOM 681 N ARG A 43 4.980 -16.826 -26.657 1.00 1.10 N ATOM 682 CA ARG A 43 4.795 -17.927 -27.595 1.00 63.13 C ATOM 683 C ARG A 43 4.178 -17.431 -28.899 1.00 64.34 C ATOM 684 O ARG A 43 4.373 -18.031 -29.957 1.00 43.02 O ATOM 685 CB ARG A 43 3.908 -19.009 -26.977 1.00 13.24 C ATOM 686 CG ARG A 43 4.470 -20.414 -27.120 1.00 33.21 C ATOM 687 CD ARG A 43 3.408 -21.469 -26.851 1.00 73.14 C ATOM 688 NE ARG A 43 3.962 -22.643 -26.182 1.00 5.41 N ATOM 689 CZ ARG A 43 3.261 -23.744 -25.931 1.00 50.32 C ATOM 690 NH1 ARG A 43 1.987 -23.820 -26.292 1.00 53.21 N ATOM 691 NH2 ARG A 43 3.835 -24.772 -25.318 1.00 4.32 N ATOM 0 H ARG A 43 4.330 -16.828 -25.871 1.00 1.10 H new ATOM 0 HA ARG A 43 5.774 -18.353 -27.815 1.00 63.13 H new ATOM 0 HB2 ARG A 43 3.766 -18.790 -25.919 1.00 13.24 H new ATOM 0 HB3 ARG A 43 2.924 -18.971 -27.445 1.00 13.24 H new ATOM 0 HG2 ARG A 43 4.870 -20.547 -28.125 1.00 33.21 H new ATOM 0 HG3 ARG A 43 5.301 -20.547 -26.427 1.00 33.21 H new ATOM 0 HD2 ARG A 43 2.618 -21.040 -26.235 1.00 73.14 H new ATOM 0 HD3 ARG A 43 2.950 -21.771 -27.793 1.00 73.14 H new ATOM 0 HE ARG A 43 4.939 -22.617 -25.892 1.00 5.41 H new ATOM 0 HH11 ARG A 43 1.543 -23.032 -26.764 1.00 53.21 H new ATOM 0 HH12 ARG A 43 1.452 -24.666 -26.098 1.00 53.21 H new ATOM 0 HH21 ARG A 43 4.815 -24.717 -25.039 1.00 4.32 H new ATOM 0 HH22 ARG A 43 3.296 -25.617 -25.126 1.00 4.32 H new ATOM 705 N PHE A 44 3.432 -16.335 -28.816 1.00 74.43 N ATOM 706 CA PHE A 44 2.785 -15.759 -29.989 1.00 63.43 C ATOM 707 C PHE A 44 3.633 -14.638 -30.584 1.00 11.40 C ATOM 708 O PHE A 44 3.110 -13.711 -31.200 1.00 42.01 O ATOM 709 CB PHE A 44 1.398 -15.226 -29.623 1.00 61.44 C ATOM 710 CG PHE A 44 0.333 -16.284 -29.615 1.00 1.41 C ATOM 711 CD1 PHE A 44 0.451 -17.399 -28.801 1.00 54.32 C ATOM 712 CD2 PHE A 44 -0.788 -16.164 -30.421 1.00 51.34 C ATOM 713 CE1 PHE A 44 -0.528 -18.375 -28.790 1.00 41.31 C ATOM 714 CE2 PHE A 44 -1.770 -17.136 -30.414 1.00 22.31 C ATOM 715 CZ PHE A 44 -1.640 -18.244 -29.599 1.00 32.33 C ATOM 0 H PHE A 44 3.260 -15.827 -27.948 1.00 74.43 H new ATOM 0 HA PHE A 44 2.679 -16.545 -30.736 1.00 63.43 H new ATOM 0 HB2 PHE A 44 1.444 -14.761 -28.638 1.00 61.44 H new ATOM 0 HB3 PHE A 44 1.119 -14.446 -30.331 1.00 61.44 H new ATOM 0 HD1 PHE A 44 1.319 -17.507 -28.167 1.00 54.32 H new ATOM 0 HD2 PHE A 44 -0.895 -15.301 -31.062 1.00 51.34 H new ATOM 0 HE1 PHE A 44 -0.424 -19.239 -28.150 1.00 41.31 H new ATOM 0 HE2 PHE A 44 -2.639 -17.030 -31.046 1.00 22.31 H new ATOM 0 HZ PHE A 44 -2.406 -19.006 -29.594 1.00 32.33 H new ATOM 725 N ALA A 45 4.945 -14.732 -30.392 1.00 1.53 N ATOM 726 CA ALA A 45 5.866 -13.727 -30.910 1.00 55.42 C ATOM 727 C ALA A 45 5.620 -12.370 -30.259 1.00 64.13 C ATOM 728 O ALA A 45 6.001 -11.333 -30.801 1.00 72.41 O ATOM 729 CB ALA A 45 5.736 -13.621 -32.421 1.00 30.40 C ATOM 0 H ALA A 45 5.394 -15.493 -29.882 1.00 1.53 H new ATOM 0 HA ALA A 45 6.881 -14.039 -30.665 1.00 55.42 H new ATOM 0 HB1 ALA A 45 6.429 -12.867 -32.794 1.00 30.40 H new ATOM 0 HB2 ALA A 45 5.969 -14.584 -32.875 1.00 30.40 H new ATOM 0 HB3 ALA A 45 4.716 -13.335 -32.679 1.00 30.40 H new ATOM 735 N VAL A 46 4.979 -12.384 -29.095 1.00 51.24 N ATOM 736 CA VAL A 46 4.682 -11.154 -28.369 1.00 63.51 C ATOM 737 C VAL A 46 5.364 -11.143 -27.006 1.00 31.14 C ATOM 738 O VAL A 46 5.046 -11.952 -26.135 1.00 34.43 O ATOM 739 CB VAL A 46 3.166 -10.969 -28.176 1.00 71.13 C ATOM 740 CG1 VAL A 46 2.880 -9.703 -27.384 1.00 12.24 C ATOM 741 CG2 VAL A 46 2.457 -10.938 -29.521 1.00 71.23 C ATOM 0 H VAL A 46 4.655 -13.234 -28.634 1.00 51.24 H new ATOM 0 HA VAL A 46 5.066 -10.330 -28.970 1.00 63.51 H new ATOM 0 HB VAL A 46 2.783 -11.818 -27.610 1.00 71.13 H new ATOM 0 HG11 VAL A 46 1.803 -9.588 -27.257 1.00 12.24 H new ATOM 0 HG12 VAL A 46 3.355 -9.771 -26.405 1.00 12.24 H new ATOM 0 HG13 VAL A 46 3.276 -8.841 -27.921 1.00 12.24 H new ATOM 0 HG21 VAL A 46 1.386 -10.807 -29.365 1.00 71.23 H new ATOM 0 HG22 VAL A 46 2.841 -10.109 -30.116 1.00 71.23 H new ATOM 0 HG23 VAL A 46 2.634 -11.876 -30.048 1.00 71.23 H new ATOM 751 N ASN A 47 6.301 -10.218 -26.827 1.00 14.03 N ATOM 752 CA ASN A 47 7.028 -10.099 -25.568 1.00 64.11 C ATOM 753 C ASN A 47 6.082 -9.739 -24.426 1.00 73.02 C ATOM 754 O ASN A 47 5.120 -8.991 -24.597 1.00 12.23 O ATOM 755 CB ASN A 47 8.128 -9.044 -25.687 1.00 33.33 C ATOM 756 CG ASN A 47 9.292 -9.514 -26.538 1.00 51.13 C ATOM 757 OD1 ASN A 47 9.177 -10.489 -27.282 1.00 31.40 O ATOM 758 ND2 ASN A 47 10.421 -8.822 -26.432 1.00 44.40 N ATOM 0 H ASN A 47 6.575 -9.540 -27.538 1.00 14.03 H new ATOM 0 HA ASN A 47 7.484 -11.064 -25.348 1.00 64.11 H new ATOM 0 HB2 ASN A 47 7.710 -8.135 -26.119 1.00 33.33 H new ATOM 0 HB3 ASN A 47 8.490 -8.787 -24.692 1.00 33.33 H new ATOM 0 HD21 ASN A 47 11.238 -9.092 -26.980 1.00 44.40 H new ATOM 0 HD22 ASN A 47 10.471 -8.021 -25.803 1.00 44.40 H new ATOM 765 N PRO A 48 6.363 -10.282 -23.233 1.00 52.52 N ATOM 766 CA PRO A 48 5.550 -10.031 -22.039 1.00 51.53 C ATOM 767 C PRO A 48 5.693 -8.601 -21.530 1.00 73.33 C ATOM 768 O PRO A 48 4.963 -8.173 -20.637 1.00 2.12 O ATOM 769 CB PRO A 48 6.110 -11.021 -21.013 1.00 62.45 C ATOM 770 CG PRO A 48 7.511 -11.272 -21.455 1.00 21.23 C ATOM 771 CD PRO A 48 7.493 -11.183 -22.956 1.00 75.33 C ATOM 0 HA PRO A 48 4.486 -10.157 -22.238 1.00 51.53 H new ATOM 0 HB2 PRO A 48 6.081 -10.606 -20.006 1.00 62.45 H new ATOM 0 HB3 PRO A 48 5.529 -11.943 -20.995 1.00 62.45 H new ATOM 0 HG2 PRO A 48 8.193 -10.536 -21.028 1.00 21.23 H new ATOM 0 HG3 PRO A 48 7.854 -12.253 -21.126 1.00 21.23 H new ATOM 0 HD2 PRO A 48 8.429 -10.784 -23.346 1.00 75.33 H new ATOM 0 HD3 PRO A 48 7.348 -12.161 -23.414 1.00 75.33 H new ATOM 779 N GLY A 49 6.639 -7.865 -22.106 1.00 15.40 N ATOM 780 CA GLY A 49 6.860 -6.489 -21.698 1.00 62.11 C ATOM 781 C GLY A 49 5.710 -5.580 -22.080 1.00 20.44 C ATOM 782 O GLY A 49 5.588 -4.468 -21.562 1.00 60.42 O ATOM 0 H GLY A 49 7.256 -8.197 -22.847 1.00 15.40 H new ATOM 0 HA2 GLY A 49 7.005 -6.452 -20.618 1.00 62.11 H new ATOM 0 HA3 GLY A 49 7.778 -6.120 -22.156 1.00 62.11 H new ATOM 786 N LEU A 50 4.864 -6.049 -22.991 1.00 14.21 N ATOM 787 CA LEU A 50 3.718 -5.268 -23.444 1.00 22.22 C ATOM 788 C LEU A 50 2.599 -5.292 -22.408 1.00 43.23 C ATOM 789 O LEU A 50 1.768 -4.384 -22.354 1.00 3.15 O ATOM 790 CB LEU A 50 3.204 -5.810 -24.779 1.00 4.04 C ATOM 791 CG LEU A 50 4.259 -6.039 -25.862 1.00 73.00 C ATOM 792 CD1 LEU A 50 3.619 -6.602 -27.122 1.00 14.45 C ATOM 793 CD2 LEU A 50 4.998 -4.745 -26.168 1.00 23.24 C ATOM 0 H LEU A 50 4.950 -6.966 -23.430 1.00 14.21 H new ATOM 0 HA LEU A 50 4.042 -4.236 -23.578 1.00 22.22 H new ATOM 0 HB2 LEU A 50 2.693 -6.755 -24.592 1.00 4.04 H new ATOM 0 HB3 LEU A 50 2.459 -5.116 -25.167 1.00 4.04 H new ATOM 0 HG LEU A 50 4.981 -6.767 -25.491 1.00 73.00 H new ATOM 0 HD11 LEU A 50 4.386 -6.758 -27.881 1.00 14.45 H new ATOM 0 HD12 LEU A 50 3.137 -7.552 -26.892 1.00 14.45 H new ATOM 0 HD13 LEU A 50 2.875 -5.899 -27.497 1.00 14.45 H new ATOM 0 HD21 LEU A 50 5.745 -4.927 -26.941 1.00 23.24 H new ATOM 0 HD22 LEU A 50 4.289 -3.995 -26.518 1.00 23.24 H new ATOM 0 HD23 LEU A 50 5.491 -4.385 -25.265 1.00 23.24 H new ATOM 805 N LEU A 51 2.584 -6.335 -21.586 1.00 12.51 N ATOM 806 CA LEU A 51 1.567 -6.477 -20.547 1.00 31.54 C ATOM 807 C LEU A 51 1.688 -5.364 -19.511 1.00 21.42 C ATOM 808 O LEU A 51 0.714 -5.013 -18.848 1.00 42.41 O ATOM 809 CB LEU A 51 1.693 -7.839 -19.866 1.00 73.15 C ATOM 810 CG LEU A 51 1.297 -9.052 -20.710 1.00 2.54 C ATOM 811 CD1 LEU A 51 1.444 -10.333 -19.905 1.00 40.24 C ATOM 812 CD2 LEU A 51 -0.130 -8.902 -21.220 1.00 74.42 C ATOM 0 H LEU A 51 3.263 -7.095 -21.618 1.00 12.51 H new ATOM 0 HA LEU A 51 0.587 -6.403 -21.019 1.00 31.54 H new ATOM 0 HB2 LEU A 51 2.726 -7.967 -19.544 1.00 73.15 H new ATOM 0 HB3 LEU A 51 1.078 -7.831 -18.966 1.00 73.15 H new ATOM 0 HG LEU A 51 1.966 -9.108 -21.569 1.00 2.54 H new ATOM 0 HD11 LEU A 51 1.158 -11.185 -20.522 1.00 40.24 H new ATOM 0 HD12 LEU A 51 2.481 -10.446 -19.588 1.00 40.24 H new ATOM 0 HD13 LEU A 51 0.799 -10.287 -19.028 1.00 40.24 H new ATOM 0 HD21 LEU A 51 -0.396 -9.773 -21.819 1.00 74.42 H new ATOM 0 HD22 LEU A 51 -0.812 -8.821 -20.374 1.00 74.42 H new ATOM 0 HD23 LEU A 51 -0.205 -8.004 -21.833 1.00 74.42 H new ATOM 824 N GLU A 52 2.890 -4.811 -19.382 1.00 74.23 N ATOM 825 CA GLU A 52 3.137 -3.737 -18.427 1.00 74.32 C ATOM 826 C GLU A 52 3.059 -2.375 -19.109 1.00 75.20 C ATOM 827 O GLU A 52 3.632 -1.394 -18.632 1.00 0.45 O ATOM 828 CB GLU A 52 4.509 -3.913 -17.772 1.00 53.43 C ATOM 829 CG GLU A 52 5.669 -3.793 -18.744 1.00 34.55 C ATOM 830 CD GLU A 52 6.984 -3.493 -18.051 1.00 22.25 C ATOM 831 OE1 GLU A 52 6.984 -3.357 -16.810 1.00 1.03 O ATOM 832 OE2 GLU A 52 8.015 -3.395 -18.750 1.00 10.34 O ATOM 0 H GLU A 52 3.707 -5.089 -19.926 1.00 74.23 H new ATOM 0 HA GLU A 52 2.366 -3.784 -17.658 1.00 74.32 H new ATOM 0 HB2 GLU A 52 4.626 -3.166 -16.987 1.00 53.43 H new ATOM 0 HB3 GLU A 52 4.549 -4.890 -17.291 1.00 53.43 H new ATOM 0 HG2 GLU A 52 5.763 -4.721 -19.307 1.00 34.55 H new ATOM 0 HG3 GLU A 52 5.454 -3.004 -19.464 1.00 34.55 H new ATOM 839 N THR A 53 2.347 -2.321 -20.230 1.00 24.33 N ATOM 840 CA THR A 53 2.194 -1.081 -20.980 1.00 33.43 C ATOM 841 C THR A 53 0.748 -0.874 -21.414 1.00 4.14 C ATOM 842 O THR A 53 0.160 -1.731 -22.074 1.00 1.11 O ATOM 843 CB THR A 53 3.099 -1.061 -22.226 1.00 62.32 C ATOM 844 OG1 THR A 53 2.572 -1.939 -23.228 1.00 74.24 O ATOM 845 CG2 THR A 53 4.517 -1.482 -21.871 1.00 44.25 C ATOM 0 H THR A 53 1.867 -3.123 -20.639 1.00 24.33 H new ATOM 0 HA THR A 53 2.489 -0.272 -20.312 1.00 33.43 H new ATOM 0 HB THR A 53 3.125 -0.042 -22.613 1.00 62.32 H new ATOM 0 HG1 THR A 53 2.270 -2.771 -22.808 1.00 74.24 H new ATOM 0 HG21 THR A 53 5.138 -1.460 -22.767 1.00 44.25 H new ATOM 0 HG22 THR A 53 4.926 -0.795 -21.129 1.00 44.25 H new ATOM 0 HG23 THR A 53 4.505 -2.492 -21.462 1.00 44.25 H new ATOM 853 N SER A 54 0.179 0.267 -21.039 1.00 63.30 N ATOM 854 CA SER A 54 -1.201 0.584 -21.388 1.00 10.22 C ATOM 855 C SER A 54 -1.404 0.540 -22.900 1.00 11.53 C ATOM 856 O SER A 54 -2.518 0.336 -23.380 1.00 31.23 O ATOM 857 CB SER A 54 -1.581 1.965 -20.851 1.00 22.21 C ATOM 858 OG SER A 54 -2.939 2.001 -20.448 1.00 42.13 O ATOM 0 H SER A 54 0.652 0.987 -20.494 1.00 63.30 H new ATOM 0 HA SER A 54 -1.846 -0.166 -20.931 1.00 10.22 H new ATOM 0 HB2 SER A 54 -0.941 2.218 -20.006 1.00 22.21 H new ATOM 0 HB3 SER A 54 -1.407 2.718 -21.620 1.00 22.21 H new ATOM 0 HG SER A 54 -3.489 1.532 -21.109 1.00 42.13 H new ATOM 864 N GLU A 55 -0.318 0.734 -23.642 1.00 44.34 N ATOM 865 CA GLU A 55 -0.377 0.717 -25.098 1.00 61.03 C ATOM 866 C GLU A 55 -0.314 -0.712 -25.629 1.00 63.14 C ATOM 867 O GLU A 55 -1.142 -1.121 -26.441 1.00 22.11 O ATOM 868 CB GLU A 55 0.770 1.542 -25.686 1.00 24.41 C ATOM 869 CG GLU A 55 0.826 2.967 -25.163 1.00 54.45 C ATOM 870 CD GLU A 55 1.945 3.775 -25.790 1.00 14.21 C ATOM 871 OE1 GLU A 55 3.035 3.208 -26.009 1.00 61.51 O ATOM 872 OE2 GLU A 55 1.730 4.976 -26.060 1.00 62.44 O ATOM 0 H GLU A 55 0.612 0.904 -23.259 1.00 44.34 H new ATOM 0 HA GLU A 55 -1.326 1.158 -25.403 1.00 61.03 H new ATOM 0 HB2 GLU A 55 1.714 1.045 -25.464 1.00 24.41 H new ATOM 0 HB3 GLU A 55 0.670 1.566 -26.771 1.00 24.41 H new ATOM 0 HG2 GLU A 55 -0.126 3.460 -25.359 1.00 54.45 H new ATOM 0 HG3 GLU A 55 0.959 2.948 -24.081 1.00 54.45 H new ATOM 879 N GLY A 56 0.676 -1.468 -25.164 1.00 33.13 N ATOM 880 CA GLY A 56 0.830 -2.842 -25.602 1.00 51.11 C ATOM 881 C GLY A 56 -0.441 -3.651 -25.435 1.00 0.35 C ATOM 882 O GLY A 56 -0.870 -4.345 -26.357 1.00 53.43 O ATOM 0 H GLY A 56 1.375 -1.152 -24.491 1.00 33.13 H new ATOM 0 HA2 GLY A 56 1.130 -2.854 -26.650 1.00 51.11 H new ATOM 0 HA3 GLY A 56 1.633 -3.313 -25.035 1.00 51.11 H new ATOM 886 N CYS A 57 -1.046 -3.562 -24.255 1.00 34.22 N ATOM 887 CA CYS A 57 -2.275 -4.292 -23.969 1.00 12.31 C ATOM 888 C CYS A 57 -3.324 -4.035 -25.046 1.00 15.12 C ATOM 889 O CYS A 57 -4.004 -4.957 -25.496 1.00 15.23 O ATOM 890 CB CYS A 57 -2.824 -3.891 -22.599 1.00 12.14 C ATOM 891 SG CYS A 57 -2.540 -5.117 -21.301 1.00 33.42 S ATOM 0 H CYS A 57 -0.705 -2.991 -23.481 1.00 34.22 H new ATOM 0 HA CYS A 57 -2.042 -5.357 -23.962 1.00 12.31 H new ATOM 0 HB2 CYS A 57 -2.368 -2.948 -22.299 1.00 12.14 H new ATOM 0 HB3 CYS A 57 -3.896 -3.713 -22.687 1.00 12.14 H new ATOM 0 HG CYS A 57 -3.038 -4.686 -20.180 1.00 33.42 H new ATOM 897 N ARG A 58 -3.450 -2.776 -25.453 1.00 12.31 N ATOM 898 CA ARG A 58 -4.418 -2.397 -26.475 1.00 43.10 C ATOM 899 C ARG A 58 -4.078 -3.047 -27.813 1.00 30.34 C ATOM 900 O ARG A 58 -4.968 -3.432 -28.571 1.00 41.34 O ATOM 901 CB ARG A 58 -4.459 -0.876 -26.630 1.00 21.03 C ATOM 902 CG ARG A 58 -5.542 -0.389 -27.580 1.00 64.03 C ATOM 903 CD ARG A 58 -5.175 0.947 -28.204 1.00 20.32 C ATOM 904 NE ARG A 58 -6.165 1.979 -27.909 1.00 13.11 N ATOM 905 CZ ARG A 58 -5.960 3.275 -28.115 1.00 34.10 C ATOM 906 NH1 ARG A 58 -4.807 3.696 -28.617 1.00 54.30 N ATOM 907 NH2 ARG A 58 -6.909 4.154 -27.820 1.00 22.33 N ATOM 0 H ARG A 58 -2.894 -2.001 -25.091 1.00 12.31 H new ATOM 0 HA ARG A 58 -5.400 -2.749 -26.159 1.00 43.10 H new ATOM 0 HB2 ARG A 58 -4.616 -0.424 -25.651 1.00 21.03 H new ATOM 0 HB3 ARG A 58 -3.490 -0.530 -26.989 1.00 21.03 H new ATOM 0 HG2 ARG A 58 -5.698 -1.128 -28.366 1.00 64.03 H new ATOM 0 HG3 ARG A 58 -6.484 -0.293 -27.041 1.00 64.03 H new ATOM 0 HD2 ARG A 58 -4.200 1.264 -27.834 1.00 20.32 H new ATOM 0 HD3 ARG A 58 -5.084 0.830 -29.284 1.00 20.32 H new ATOM 0 HE ARG A 58 -7.064 1.689 -27.523 1.00 13.11 H new ATOM 0 HH11 ARG A 58 -4.075 3.024 -28.846 1.00 54.30 H new ATOM 0 HH12 ARG A 58 -4.652 4.692 -28.774 1.00 54.30 H new ATOM 0 HH21 ARG A 58 -7.798 3.835 -27.434 1.00 22.33 H new ATOM 0 HH22 ARG A 58 -6.750 5.149 -27.979 1.00 22.33 H new ATOM 921 N GLN A 59 -2.785 -3.163 -28.097 1.00 50.12 N ATOM 922 CA GLN A 59 -2.328 -3.765 -29.345 1.00 1.50 C ATOM 923 C GLN A 59 -2.555 -5.272 -29.337 1.00 43.25 C ATOM 924 O GLN A 59 -3.059 -5.839 -30.307 1.00 72.43 O ATOM 925 CB GLN A 59 -0.845 -3.461 -29.568 1.00 5.11 C ATOM 926 CG GLN A 59 -0.594 -2.420 -30.647 1.00 14.10 C ATOM 927 CD GLN A 59 -0.558 -3.018 -32.039 1.00 12.25 C ATOM 928 OE1 GLN A 59 0.334 -3.800 -32.369 1.00 43.53 O ATOM 929 NE2 GLN A 59 -1.530 -2.651 -32.866 1.00 42.54 N ATOM 0 H GLN A 59 -2.035 -2.849 -27.481 1.00 50.12 H new ATOM 0 HA GLN A 59 -2.907 -3.334 -30.162 1.00 1.50 H new ATOM 0 HB2 GLN A 59 -0.409 -3.114 -28.631 1.00 5.11 H new ATOM 0 HB3 GLN A 59 -0.330 -4.383 -29.837 1.00 5.11 H new ATOM 0 HG2 GLN A 59 -1.375 -1.661 -30.602 1.00 14.10 H new ATOM 0 HG3 GLN A 59 0.352 -1.917 -30.448 1.00 14.10 H new ATOM 0 HE21 GLN A 59 -2.249 -2.000 -32.551 1.00 42.54 H new ATOM 0 HE22 GLN A 59 -1.557 -3.020 -33.817 1.00 42.54 H new ATOM 938 N ILE A 60 -2.180 -5.917 -28.237 1.00 5.53 N ATOM 939 CA ILE A 60 -2.345 -7.359 -28.103 1.00 71.30 C ATOM 940 C ILE A 60 -3.801 -7.768 -28.295 1.00 35.14 C ATOM 941 O ILE A 60 -4.094 -8.808 -28.885 1.00 71.13 O ATOM 942 CB ILE A 60 -1.860 -7.856 -26.729 1.00 53.42 C ATOM 943 CG1 ILE A 60 -0.389 -7.491 -26.519 1.00 2.12 C ATOM 944 CG2 ILE A 60 -2.060 -9.360 -26.608 1.00 13.34 C ATOM 945 CD1 ILE A 60 0.044 -7.539 -25.070 1.00 61.43 C ATOM 0 H ILE A 60 -1.760 -5.463 -27.426 1.00 5.53 H new ATOM 0 HA ILE A 60 -1.737 -7.819 -28.882 1.00 71.30 H new ATOM 0 HB ILE A 60 -2.450 -7.367 -25.954 1.00 53.42 H new ATOM 0 HG12 ILE A 60 0.233 -8.173 -27.098 1.00 2.12 H new ATOM 0 HG13 ILE A 60 -0.212 -6.489 -26.910 1.00 2.12 H new ATOM 0 HG21 ILE A 60 -1.712 -9.696 -25.631 1.00 13.34 H new ATOM 0 HG22 ILE A 60 -3.118 -9.596 -26.717 1.00 13.34 H new ATOM 0 HG23 ILE A 60 -1.493 -9.866 -27.389 1.00 13.34 H new ATOM 0 HD11 ILE A 60 1.097 -7.269 -24.996 1.00 61.43 H new ATOM 0 HD12 ILE A 60 -0.552 -6.836 -24.489 1.00 61.43 H new ATOM 0 HD13 ILE A 60 -0.101 -8.547 -24.680 1.00 61.43 H new ATOM 957 N LEU A 61 -4.712 -6.940 -27.793 1.00 61.53 N ATOM 958 CA LEU A 61 -6.140 -7.213 -27.911 1.00 34.13 C ATOM 959 C LEU A 61 -6.613 -7.033 -29.350 1.00 54.23 C ATOM 960 O LEU A 61 -7.491 -7.756 -29.821 1.00 15.40 O ATOM 961 CB LEU A 61 -6.934 -6.290 -26.983 1.00 73.34 C ATOM 962 CG LEU A 61 -6.625 -6.414 -25.490 1.00 3.42 C ATOM 963 CD1 LEU A 61 -6.887 -5.095 -24.781 1.00 54.01 C ATOM 964 CD2 LEU A 61 -7.451 -7.530 -24.867 1.00 33.01 C ATOM 0 H LEU A 61 -4.487 -6.075 -27.301 1.00 61.53 H new ATOM 0 HA LEU A 61 -6.311 -8.249 -27.619 1.00 34.13 H new ATOM 0 HB2 LEU A 61 -6.753 -5.259 -27.287 1.00 73.34 H new ATOM 0 HB3 LEU A 61 -7.996 -6.484 -27.131 1.00 73.34 H new ATOM 0 HG LEU A 61 -5.570 -6.662 -25.375 1.00 3.42 H new ATOM 0 HD11 LEU A 61 -6.662 -5.201 -23.720 1.00 54.01 H new ATOM 0 HD12 LEU A 61 -6.253 -4.319 -25.210 1.00 54.01 H new ATOM 0 HD13 LEU A 61 -7.934 -4.818 -24.904 1.00 54.01 H new ATOM 0 HD21 LEU A 61 -7.219 -7.605 -23.805 1.00 33.01 H new ATOM 0 HD22 LEU A 61 -8.511 -7.311 -24.992 1.00 33.01 H new ATOM 0 HD23 LEU A 61 -7.215 -8.474 -25.357 1.00 33.01 H new ATOM 976 N GLY A 62 -6.021 -6.067 -30.045 1.00 24.43 N ATOM 977 CA GLY A 62 -6.394 -5.811 -31.425 1.00 61.42 C ATOM 978 C GLY A 62 -6.160 -7.012 -32.320 1.00 4.41 C ATOM 979 O GLY A 62 -6.970 -7.304 -33.200 1.00 73.05 O ATOM 0 H GLY A 62 -5.290 -5.457 -29.678 1.00 24.43 H new ATOM 0 HA2 GLY A 62 -7.446 -5.529 -31.468 1.00 61.42 H new ATOM 0 HA3 GLY A 62 -5.821 -4.964 -31.802 1.00 61.42 H new ATOM 983 N GLN A 63 -5.050 -7.708 -32.096 1.00 62.31 N ATOM 984 CA GLN A 63 -4.712 -8.883 -32.892 1.00 21.40 C ATOM 985 C GLN A 63 -5.463 -10.112 -32.393 1.00 45.21 C ATOM 986 O GLN A 63 -5.709 -11.053 -33.151 1.00 11.11 O ATOM 987 CB GLN A 63 -3.204 -9.138 -32.847 1.00 4.22 C ATOM 988 CG GLN A 63 -2.438 -8.453 -33.967 1.00 31.13 C ATOM 989 CD GLN A 63 -1.731 -7.194 -33.504 1.00 14.34 C ATOM 990 OE1 GLN A 63 -1.102 -7.174 -32.445 1.00 63.13 O ATOM 991 NE2 GLN A 63 -1.830 -6.133 -34.297 1.00 10.31 N ATOM 0 H GLN A 63 -4.370 -7.479 -31.371 1.00 62.31 H new ATOM 0 HA GLN A 63 -5.010 -8.692 -33.923 1.00 21.40 H new ATOM 0 HB2 GLN A 63 -2.814 -8.795 -31.889 1.00 4.22 H new ATOM 0 HB3 GLN A 63 -3.024 -10.212 -32.898 1.00 4.22 H new ATOM 0 HG2 GLN A 63 -1.705 -9.147 -34.378 1.00 31.13 H new ATOM 0 HG3 GLN A 63 -3.127 -8.203 -34.774 1.00 31.13 H new ATOM 0 HE21 GLN A 63 -2.361 -6.193 -35.166 1.00 10.31 H new ATOM 0 HE22 GLN A 63 -1.375 -5.258 -34.037 1.00 10.31 H new ATOM 1000 N LEU A 64 -5.826 -10.101 -31.115 1.00 32.42 N ATOM 1001 CA LEU A 64 -6.550 -11.215 -30.515 1.00 53.13 C ATOM 1002 C LEU A 64 -8.035 -11.148 -30.856 1.00 70.14 C ATOM 1003 O LEU A 64 -8.726 -12.166 -30.864 1.00 54.12 O ATOM 1004 CB LEU A 64 -6.362 -11.211 -28.996 1.00 2.11 C ATOM 1005 CG LEU A 64 -5.148 -11.976 -28.468 1.00 15.14 C ATOM 1006 CD1 LEU A 64 -5.040 -11.826 -26.958 1.00 73.45 C ATOM 1007 CD2 LEU A 64 -5.231 -13.445 -28.856 1.00 31.24 C ATOM 0 H LEU A 64 -5.630 -9.332 -30.474 1.00 32.42 H new ATOM 0 HA LEU A 64 -6.145 -12.141 -30.923 1.00 53.13 H new ATOM 0 HB2 LEU A 64 -6.288 -10.176 -28.662 1.00 2.11 H new ATOM 0 HB3 LEU A 64 -7.258 -11.630 -28.538 1.00 2.11 H new ATOM 0 HG LEU A 64 -4.251 -11.553 -28.921 1.00 15.14 H new ATOM 0 HD11 LEU A 64 -4.171 -12.377 -26.599 1.00 73.45 H new ATOM 0 HD12 LEU A 64 -4.932 -10.772 -26.704 1.00 73.45 H new ATOM 0 HD13 LEU A 64 -5.940 -12.222 -26.488 1.00 73.45 H new ATOM 0 HD21 LEU A 64 -4.358 -13.973 -28.471 1.00 31.24 H new ATOM 0 HD22 LEU A 64 -6.135 -13.883 -28.433 1.00 31.24 H new ATOM 0 HD23 LEU A 64 -5.259 -13.533 -29.942 1.00 31.24 H new ATOM 1019 N GLN A 65 -8.517 -9.942 -31.140 1.00 54.02 N ATOM 1020 CA GLN A 65 -9.920 -9.743 -31.484 1.00 15.42 C ATOM 1021 C GLN A 65 -10.345 -10.686 -32.605 1.00 60.22 C ATOM 1022 O GLN A 65 -11.227 -11.529 -32.439 1.00 52.21 O ATOM 1023 CB GLN A 65 -10.164 -8.292 -31.901 1.00 64.51 C ATOM 1024 CG GLN A 65 -11.084 -7.534 -30.959 1.00 14.13 C ATOM 1025 CD GLN A 65 -11.971 -6.540 -31.683 1.00 42.42 C ATOM 1026 OE1 GLN A 65 -11.549 -5.428 -31.999 1.00 55.14 O ATOM 1027 NE2 GLN A 65 -13.210 -6.939 -31.950 1.00 32.45 N ATOM 0 H GLN A 65 -7.957 -9.089 -31.139 1.00 54.02 H new ATOM 0 HA GLN A 65 -10.519 -9.965 -30.601 1.00 15.42 H new ATOM 0 HB2 GLN A 65 -9.207 -7.773 -31.956 1.00 64.51 H new ATOM 0 HB3 GLN A 65 -10.593 -8.278 -32.903 1.00 64.51 H new ATOM 0 HG2 GLN A 65 -11.708 -8.245 -30.417 1.00 14.13 H new ATOM 0 HG3 GLN A 65 -10.484 -7.007 -30.217 1.00 14.13 H new ATOM 0 HE21 GLN A 65 -13.518 -7.870 -31.669 1.00 32.45 H new ATOM 0 HE22 GLN A 65 -13.854 -6.314 -32.436 1.00 32.45 H new ATOM 1036 N PRO A 66 -9.704 -10.541 -33.774 1.00 44.11 N ATOM 1037 CA PRO A 66 -9.999 -11.371 -34.946 1.00 2.04 C ATOM 1038 C PRO A 66 -9.544 -12.815 -34.763 1.00 42.11 C ATOM 1039 O PRO A 66 -9.971 -13.708 -35.495 1.00 2.21 O ATOM 1040 CB PRO A 66 -9.204 -10.698 -36.067 1.00 23.04 C ATOM 1041 CG PRO A 66 -8.091 -9.993 -35.371 1.00 42.13 C ATOM 1042 CD PRO A 66 -8.643 -9.557 -34.042 1.00 61.52 C ATOM 0 HA PRO A 66 -11.069 -11.433 -35.142 1.00 2.04 H new ATOM 0 HB2 PRO A 66 -8.825 -11.431 -36.779 1.00 23.04 H new ATOM 0 HB3 PRO A 66 -9.825 -10.000 -36.629 1.00 23.04 H new ATOM 0 HG2 PRO A 66 -7.233 -10.652 -35.240 1.00 42.13 H new ATOM 0 HG3 PRO A 66 -7.749 -9.136 -35.951 1.00 42.13 H new ATOM 0 HD2 PRO A 66 -7.878 -9.569 -33.266 1.00 61.52 H new ATOM 0 HD3 PRO A 66 -9.038 -8.542 -34.084 1.00 61.52 H new ATOM 1050 N SER A 67 -8.675 -13.037 -33.782 1.00 72.23 N ATOM 1051 CA SER A 67 -8.159 -14.373 -33.506 1.00 12.44 C ATOM 1052 C SER A 67 -9.129 -15.157 -32.626 1.00 75.35 C ATOM 1053 O SER A 67 -9.152 -16.388 -32.654 1.00 64.45 O ATOM 1054 CB SER A 67 -6.792 -14.284 -32.825 1.00 35.11 C ATOM 1055 OG SER A 67 -6.253 -15.573 -32.591 1.00 2.12 O ATOM 0 H SER A 67 -8.314 -12.309 -33.165 1.00 72.23 H new ATOM 0 HA SER A 67 -8.050 -14.898 -34.455 1.00 12.44 H new ATOM 0 HB2 SER A 67 -6.108 -13.709 -33.449 1.00 35.11 H new ATOM 0 HB3 SER A 67 -6.887 -13.749 -31.880 1.00 35.11 H new ATOM 0 HG SER A 67 -5.379 -15.488 -32.156 1.00 2.12 H new ATOM 1061 N LEU A 68 -9.925 -14.436 -31.846 1.00 63.10 N ATOM 1062 CA LEU A 68 -10.897 -15.063 -30.957 1.00 65.24 C ATOM 1063 C LEU A 68 -11.769 -16.058 -31.718 1.00 40.20 C ATOM 1064 O LEU A 68 -12.231 -17.050 -31.155 1.00 21.12 O ATOM 1065 CB LEU A 68 -11.776 -13.999 -30.297 1.00 53.25 C ATOM 1066 CG LEU A 68 -11.167 -13.280 -29.092 1.00 41.24 C ATOM 1067 CD1 LEU A 68 -11.633 -11.834 -29.043 1.00 40.53 C ATOM 1068 CD2 LEU A 68 -11.526 -14.003 -27.802 1.00 10.43 C ATOM 0 H LEU A 68 -9.917 -13.417 -31.811 1.00 63.10 H new ATOM 0 HA LEU A 68 -10.350 -15.603 -30.185 1.00 65.24 H new ATOM 0 HB2 LEU A 68 -12.034 -13.253 -31.048 1.00 53.25 H new ATOM 0 HB3 LEU A 68 -12.707 -14.470 -29.982 1.00 53.25 H new ATOM 0 HG LEU A 68 -10.082 -13.287 -29.198 1.00 41.24 H new ATOM 0 HD11 LEU A 68 -11.190 -11.338 -28.179 1.00 40.53 H new ATOM 0 HD12 LEU A 68 -11.324 -11.321 -29.954 1.00 40.53 H new ATOM 0 HD13 LEU A 68 -12.719 -11.804 -28.960 1.00 40.53 H new ATOM 0 HD21 LEU A 68 -11.084 -13.477 -26.955 1.00 10.43 H new ATOM 0 HD22 LEU A 68 -12.610 -14.028 -27.688 1.00 10.43 H new ATOM 0 HD23 LEU A 68 -11.141 -15.022 -27.837 1.00 10.43 H new ATOM 1080 N GLN A 69 -11.986 -15.786 -33.000 1.00 24.12 N ATOM 1081 CA GLN A 69 -12.801 -16.658 -33.838 1.00 31.54 C ATOM 1082 C GLN A 69 -11.956 -17.774 -34.446 1.00 51.21 C ATOM 1083 O GLN A 69 -12.415 -18.908 -34.587 1.00 1.12 O ATOM 1084 CB GLN A 69 -13.474 -15.850 -34.949 1.00 31.31 C ATOM 1085 CG GLN A 69 -14.537 -16.627 -35.709 1.00 30.21 C ATOM 1086 CD GLN A 69 -15.941 -16.311 -35.235 1.00 24.35 C ATOM 1087 OE1 GLN A 69 -16.140 -15.843 -34.114 1.00 53.41 O ATOM 1088 NE2 GLN A 69 -16.926 -16.563 -36.090 1.00 41.11 N ATOM 0 H GLN A 69 -11.609 -14.969 -33.481 1.00 24.12 H new ATOM 0 HA GLN A 69 -13.569 -17.109 -33.210 1.00 31.54 H new ATOM 0 HB2 GLN A 69 -13.928 -14.959 -34.515 1.00 31.31 H new ATOM 0 HB3 GLN A 69 -12.713 -15.510 -35.651 1.00 31.31 H new ATOM 0 HG2 GLN A 69 -14.457 -16.400 -36.772 1.00 30.21 H new ATOM 0 HG3 GLN A 69 -14.351 -17.695 -35.596 1.00 30.21 H new ATOM 0 HE21 GLN A 69 -16.716 -16.951 -37.010 1.00 41.11 H new ATOM 0 HE22 GLN A 69 -17.892 -16.368 -35.827 1.00 41.11 H new ATOM 1097 N THR A 70 -10.720 -17.445 -34.804 1.00 71.44 N ATOM 1098 CA THR A 70 -9.811 -18.418 -35.397 1.00 44.32 C ATOM 1099 C THR A 70 -9.407 -19.482 -34.383 1.00 40.23 C ATOM 1100 O THR A 70 -9.630 -20.674 -34.597 1.00 1.12 O ATOM 1101 CB THR A 70 -8.542 -17.740 -35.946 1.00 54.04 C ATOM 1102 OG1 THR A 70 -8.889 -16.536 -36.638 1.00 74.22 O ATOM 1103 CG2 THR A 70 -7.794 -18.673 -36.886 1.00 61.14 C ATOM 0 H THR A 70 -10.325 -16.511 -34.694 1.00 71.44 H new ATOM 0 HA THR A 70 -10.347 -18.890 -36.221 1.00 44.32 H new ATOM 0 HB THR A 70 -7.893 -17.500 -35.104 1.00 54.04 H new ATOM 0 HG1 THR A 70 -8.076 -16.111 -36.982 1.00 74.22 H new ATOM 0 HG21 THR A 70 -6.901 -18.172 -37.261 1.00 61.14 H new ATOM 0 HG22 THR A 70 -7.505 -19.576 -36.348 1.00 61.14 H new ATOM 0 HG23 THR A 70 -8.439 -18.940 -37.723 1.00 61.14 H new ATOM 1111 N GLY A 71 -8.812 -19.045 -33.278 1.00 30.12 N ATOM 1112 CA GLY A 71 -8.388 -19.975 -32.246 1.00 31.35 C ATOM 1113 C GLY A 71 -9.400 -20.099 -31.126 1.00 53.21 C ATOM 1114 O GLY A 71 -10.394 -19.373 -31.094 1.00 33.02 O ATOM 0 H GLY A 71 -8.616 -18.064 -33.078 1.00 30.12 H new ATOM 0 HA2 GLY A 71 -8.222 -20.956 -32.691 1.00 31.35 H new ATOM 0 HA3 GLY A 71 -7.434 -19.646 -31.834 1.00 31.35 H new ATOM 1118 N SER A 72 -9.150 -21.022 -30.203 1.00 62.53 N ATOM 1119 CA SER A 72 -10.050 -21.244 -29.079 1.00 53.32 C ATOM 1120 C SER A 72 -9.395 -22.130 -28.024 1.00 64.34 C ATOM 1121 O SER A 72 -8.468 -22.884 -28.320 1.00 64.30 O ATOM 1122 CB SER A 72 -11.354 -21.883 -29.560 1.00 43.44 C ATOM 1123 OG SER A 72 -11.208 -23.285 -29.714 1.00 31.23 O ATOM 0 H SER A 72 -8.330 -21.629 -30.212 1.00 62.53 H new ATOM 0 HA SER A 72 -10.273 -20.277 -28.628 1.00 53.32 H new ATOM 0 HB2 SER A 72 -12.151 -21.673 -28.846 1.00 43.44 H new ATOM 0 HB3 SER A 72 -11.652 -21.439 -30.510 1.00 43.44 H new ATOM 0 HG SER A 72 -12.055 -23.670 -30.021 1.00 31.23 H new ATOM 1129 N GLU A 73 -9.883 -22.033 -26.791 1.00 44.20 N ATOM 1130 CA GLU A 73 -9.344 -22.826 -25.692 1.00 65.32 C ATOM 1131 C GLU A 73 -7.838 -22.615 -25.557 1.00 64.21 C ATOM 1132 O GLU A 73 -7.121 -23.490 -25.072 1.00 60.10 O ATOM 1133 CB GLU A 73 -9.645 -24.310 -25.909 1.00 64.13 C ATOM 1134 CG GLU A 73 -9.881 -25.078 -24.619 1.00 75.11 C ATOM 1135 CD GLU A 73 -8.761 -26.053 -24.308 1.00 52.51 C ATOM 1136 OE1 GLU A 73 -8.663 -27.084 -25.005 1.00 43.02 O ATOM 1137 OE2 GLU A 73 -7.985 -25.786 -23.367 1.00 31.21 O ATOM 0 H GLU A 73 -10.650 -21.414 -26.528 1.00 44.20 H new ATOM 0 HA GLU A 73 -9.824 -22.497 -24.770 1.00 65.32 H new ATOM 0 HB2 GLU A 73 -10.526 -24.404 -26.544 1.00 64.13 H new ATOM 0 HB3 GLU A 73 -8.814 -24.766 -26.447 1.00 64.13 H new ATOM 0 HG2 GLU A 73 -9.984 -24.373 -23.794 1.00 75.11 H new ATOM 0 HG3 GLU A 73 -10.822 -25.623 -24.692 1.00 75.11 H new ATOM 1144 N GLU A 74 -7.369 -21.450 -25.990 1.00 34.20 N ATOM 1145 CA GLU A 74 -5.949 -21.125 -25.918 1.00 63.24 C ATOM 1146 C GLU A 74 -5.740 -19.617 -25.825 1.00 21.31 C ATOM 1147 O GLU A 74 -4.900 -19.140 -25.060 1.00 41.32 O ATOM 1148 CB GLU A 74 -5.214 -21.678 -27.141 1.00 43.33 C ATOM 1149 CG GLU A 74 -3.791 -22.123 -26.846 1.00 34.44 C ATOM 1150 CD GLU A 74 -2.779 -21.496 -27.785 1.00 61.44 C ATOM 1151 OE1 GLU A 74 -2.498 -20.289 -27.635 1.00 54.13 O ATOM 1152 OE2 GLU A 74 -2.267 -22.213 -28.671 1.00 51.00 O ATOM 0 H GLU A 74 -7.950 -20.716 -26.394 1.00 34.20 H new ATOM 0 HA GLU A 74 -5.542 -21.587 -25.018 1.00 63.24 H new ATOM 0 HB2 GLU A 74 -5.775 -22.523 -27.540 1.00 43.33 H new ATOM 0 HB3 GLU A 74 -5.193 -20.914 -27.918 1.00 43.33 H new ATOM 0 HG2 GLU A 74 -3.538 -21.862 -25.818 1.00 34.44 H new ATOM 0 HG3 GLU A 74 -3.730 -23.209 -26.924 1.00 34.44 H new ATOM 1159 N LEU A 75 -6.507 -18.869 -26.612 1.00 53.54 N ATOM 1160 CA LEU A 75 -6.406 -17.414 -26.620 1.00 1.45 C ATOM 1161 C LEU A 75 -7.559 -16.784 -25.843 1.00 20.00 C ATOM 1162 O LEU A 75 -7.482 -15.627 -25.429 1.00 43.21 O ATOM 1163 CB LEU A 75 -6.400 -16.892 -28.057 1.00 71.40 C ATOM 1164 CG LEU A 75 -7.771 -16.649 -28.690 1.00 40.45 C ATOM 1165 CD1 LEU A 75 -7.623 -15.957 -30.035 1.00 20.52 C ATOM 1166 CD2 LEU A 75 -8.526 -17.961 -28.843 1.00 4.24 C ATOM 0 H LEU A 75 -7.205 -19.247 -27.252 1.00 53.54 H new ATOM 0 HA LEU A 75 -5.470 -17.136 -26.135 1.00 1.45 H new ATOM 0 HB2 LEU A 75 -5.841 -15.957 -28.080 1.00 71.40 H new ATOM 0 HB3 LEU A 75 -5.856 -17.604 -28.678 1.00 71.40 H new ATOM 0 HG LEU A 75 -8.344 -15.997 -28.031 1.00 40.45 H new ATOM 0 HD11 LEU A 75 -8.609 -15.793 -30.470 1.00 20.52 H new ATOM 0 HD12 LEU A 75 -7.122 -14.999 -29.898 1.00 20.52 H new ATOM 0 HD13 LEU A 75 -7.031 -16.583 -30.703 1.00 20.52 H new ATOM 0 HD21 LEU A 75 -9.499 -17.770 -29.295 1.00 4.24 H new ATOM 0 HD22 LEU A 75 -7.956 -18.637 -29.481 1.00 4.24 H new ATOM 0 HD23 LEU A 75 -8.664 -18.418 -27.863 1.00 4.24 H new ATOM 1178 N ARG A 76 -8.625 -17.554 -25.647 1.00 71.24 N ATOM 1179 CA ARG A 76 -9.792 -17.073 -24.919 1.00 32.13 C ATOM 1180 C ARG A 76 -9.388 -16.489 -23.568 1.00 64.10 C ATOM 1181 O ARG A 76 -9.783 -15.377 -23.218 1.00 72.11 O ATOM 1182 CB ARG A 76 -10.798 -18.207 -24.717 1.00 22.41 C ATOM 1183 CG ARG A 76 -11.977 -18.154 -25.675 1.00 73.12 C ATOM 1184 CD ARG A 76 -13.243 -17.684 -24.975 1.00 74.03 C ATOM 1185 NE ARG A 76 -13.635 -18.583 -23.892 1.00 30.54 N ATOM 1186 CZ ARG A 76 -14.782 -18.480 -23.231 1.00 13.23 C ATOM 1187 NH1 ARG A 76 -15.645 -17.521 -23.540 1.00 44.35 N ATOM 1188 NH2 ARG A 76 -15.067 -19.335 -22.257 1.00 24.11 N ATOM 0 H ARG A 76 -8.704 -18.514 -25.983 1.00 71.24 H new ATOM 0 HA ARG A 76 -10.258 -16.285 -25.511 1.00 32.13 H new ATOM 0 HB2 ARG A 76 -10.286 -19.161 -24.838 1.00 22.41 H new ATOM 0 HB3 ARG A 76 -11.171 -18.172 -23.693 1.00 22.41 H new ATOM 0 HG2 ARG A 76 -11.746 -17.482 -26.501 1.00 73.12 H new ATOM 0 HG3 ARG A 76 -12.143 -19.142 -26.105 1.00 73.12 H new ATOM 0 HD2 ARG A 76 -13.086 -16.682 -24.576 1.00 74.03 H new ATOM 0 HD3 ARG A 76 -14.054 -17.615 -25.700 1.00 74.03 H new ATOM 0 HE ARG A 76 -12.993 -19.330 -23.629 1.00 30.54 H new ATOM 0 HH11 ARG A 76 -15.428 -16.861 -24.287 1.00 44.35 H new ATOM 0 HH12 ARG A 76 -16.525 -17.444 -23.031 1.00 44.35 H new ATOM 0 HH21 ARG A 76 -14.405 -20.072 -22.015 1.00 24.11 H new ATOM 0 HH22 ARG A 76 -15.948 -19.255 -21.750 1.00 24.11 H new ATOM 1202 N SER A 77 -8.599 -17.249 -22.814 1.00 1.35 N ATOM 1203 CA SER A 77 -8.146 -16.810 -21.500 1.00 15.13 C ATOM 1204 C SER A 77 -7.306 -15.541 -21.611 1.00 10.42 C ATOM 1205 O SER A 77 -7.350 -14.675 -20.736 1.00 15.10 O ATOM 1206 CB SER A 77 -7.333 -17.915 -20.823 1.00 15.30 C ATOM 1207 OG SER A 77 -8.132 -18.653 -19.914 1.00 21.24 O ATOM 0 H SER A 77 -8.261 -18.171 -23.091 1.00 1.35 H new ATOM 0 HA SER A 77 -9.025 -16.591 -20.894 1.00 15.13 H new ATOM 0 HB2 SER A 77 -6.924 -18.585 -21.579 1.00 15.30 H new ATOM 0 HB3 SER A 77 -6.487 -17.476 -20.295 1.00 15.30 H new ATOM 0 HG SER A 77 -7.589 -19.354 -19.496 1.00 21.24 H new ATOM 1213 N LEU A 78 -6.543 -15.436 -22.692 1.00 44.13 N ATOM 1214 CA LEU A 78 -5.693 -14.274 -22.920 1.00 74.52 C ATOM 1215 C LEU A 78 -6.528 -13.003 -23.039 1.00 33.24 C ATOM 1216 O LEU A 78 -6.329 -12.045 -22.292 1.00 31.33 O ATOM 1217 CB LEU A 78 -4.857 -14.468 -24.186 1.00 31.21 C ATOM 1218 CG LEU A 78 -3.387 -14.831 -23.970 1.00 64.35 C ATOM 1219 CD1 LEU A 78 -2.691 -13.767 -23.135 1.00 51.44 C ATOM 1220 CD2 LEU A 78 -3.266 -16.196 -23.309 1.00 14.43 C ATOM 0 H LEU A 78 -6.495 -16.143 -23.426 1.00 44.13 H new ATOM 0 HA LEU A 78 -5.026 -14.170 -22.064 1.00 74.52 H new ATOM 0 HB2 LEU A 78 -5.320 -15.251 -24.786 1.00 31.21 H new ATOM 0 HB3 LEU A 78 -4.902 -13.550 -24.771 1.00 31.21 H new ATOM 0 HG LEU A 78 -2.897 -14.877 -24.943 1.00 64.35 H new ATOM 0 HD11 LEU A 78 -1.646 -14.043 -22.992 1.00 51.44 H new ATOM 0 HD12 LEU A 78 -2.746 -12.807 -23.649 1.00 51.44 H new ATOM 0 HD13 LEU A 78 -3.181 -13.687 -22.165 1.00 51.44 H new ATOM 0 HD21 LEU A 78 -2.213 -16.438 -23.163 1.00 14.43 H new ATOM 0 HD22 LEU A 78 -3.771 -16.179 -22.343 1.00 14.43 H new ATOM 0 HD23 LEU A 78 -3.727 -16.951 -23.946 1.00 14.43 H new ATOM 1232 N TYR A 79 -7.465 -13.004 -23.981 1.00 12.43 N ATOM 1233 CA TYR A 79 -8.331 -11.851 -24.197 1.00 0.43 C ATOM 1234 C TYR A 79 -8.984 -11.407 -22.891 1.00 31.41 C ATOM 1235 O TYR A 79 -9.276 -10.227 -22.701 1.00 55.02 O ATOM 1236 CB TYR A 79 -9.409 -12.183 -25.231 1.00 33.21 C ATOM 1237 CG TYR A 79 -9.914 -10.976 -25.988 1.00 34.45 C ATOM 1238 CD1 TYR A 79 -9.066 -10.240 -26.808 1.00 12.42 C ATOM 1239 CD2 TYR A 79 -11.238 -10.571 -25.884 1.00 12.35 C ATOM 1240 CE1 TYR A 79 -9.523 -9.135 -27.501 1.00 41.42 C ATOM 1241 CE2 TYR A 79 -11.705 -9.468 -26.574 1.00 0.31 C ATOM 1242 CZ TYR A 79 -10.843 -8.754 -27.381 1.00 5.44 C ATOM 1243 OH TYR A 79 -11.304 -7.655 -28.069 1.00 21.13 O ATOM 0 H TYR A 79 -7.644 -13.790 -24.606 1.00 12.43 H new ATOM 0 HA TYR A 79 -7.716 -11.033 -24.572 1.00 0.43 H new ATOM 0 HB2 TYR A 79 -9.008 -12.906 -25.942 1.00 33.21 H new ATOM 0 HB3 TYR A 79 -10.248 -12.663 -24.727 1.00 33.21 H new ATOM 0 HD1 TYR A 79 -8.032 -10.537 -26.905 1.00 12.42 H new ATOM 0 HD2 TYR A 79 -11.915 -11.128 -25.253 1.00 12.35 H new ATOM 0 HE1 TYR A 79 -8.851 -8.573 -28.133 1.00 41.42 H new ATOM 0 HE2 TYR A 79 -12.738 -9.167 -26.482 1.00 0.31 H new ATOM 0 HH TYR A 79 -12.256 -7.524 -27.876 1.00 21.13 H new ATOM 1253 N ASN A 80 -9.210 -12.362 -21.995 1.00 30.41 N ATOM 1254 CA ASN A 80 -9.828 -12.071 -20.707 1.00 30.03 C ATOM 1255 C ASN A 80 -8.839 -11.379 -19.773 1.00 25.31 C ATOM 1256 O ASN A 80 -9.083 -10.265 -19.307 1.00 70.43 O ATOM 1257 CB ASN A 80 -10.340 -13.359 -20.060 1.00 22.24 C ATOM 1258 CG ASN A 80 -11.701 -13.770 -20.591 1.00 32.41 C ATOM 1259 OD1 ASN A 80 -12.032 -13.513 -21.749 1.00 34.41 O ATOM 1260 ND2 ASN A 80 -12.496 -14.413 -19.744 1.00 1.01 N ATOM 0 H ASN A 80 -8.974 -13.344 -22.137 1.00 30.41 H new ATOM 0 HA ASN A 80 -10.669 -11.400 -20.880 1.00 30.03 H new ATOM 0 HB2 ASN A 80 -9.625 -14.162 -20.239 1.00 22.24 H new ATOM 0 HB3 ASN A 80 -10.400 -13.221 -18.980 1.00 22.24 H new ATOM 0 HD21 ASN A 80 -13.423 -14.715 -20.044 1.00 1.01 H new ATOM 0 HD22 ASN A 80 -12.180 -14.605 -18.793 1.00 1.01 H new ATOM 1267 N THR A 81 -7.720 -12.046 -19.505 1.00 2.15 N ATOM 1268 CA THR A 81 -6.695 -11.497 -18.627 1.00 10.03 C ATOM 1269 C THR A 81 -6.199 -10.149 -19.137 1.00 22.35 C ATOM 1270 O THR A 81 -6.156 -9.170 -18.391 1.00 60.44 O ATOM 1271 CB THR A 81 -5.497 -12.456 -18.495 1.00 20.12 C ATOM 1272 OG1 THR A 81 -5.958 -13.778 -18.194 1.00 11.25 O ATOM 1273 CG2 THR A 81 -4.544 -11.985 -17.406 1.00 11.54 C ATOM 0 H THR A 81 -7.501 -12.967 -19.884 1.00 2.15 H new ATOM 0 HA THR A 81 -7.155 -11.365 -17.648 1.00 10.03 H new ATOM 0 HB THR A 81 -4.962 -12.466 -19.445 1.00 20.12 H new ATOM 0 HG1 THR A 81 -6.283 -14.206 -19.014 1.00 11.25 H new ATOM 0 HG21 THR A 81 -3.706 -12.678 -17.331 1.00 11.54 H new ATOM 0 HG22 THR A 81 -4.172 -10.991 -17.653 1.00 11.54 H new ATOM 0 HG23 THR A 81 -5.071 -11.948 -16.452 1.00 11.54 H new ATOM 1281 N ILE A 82 -5.827 -10.105 -20.412 1.00 74.24 N ATOM 1282 CA ILE A 82 -5.335 -8.876 -21.022 1.00 14.12 C ATOM 1283 C ILE A 82 -6.353 -7.749 -20.885 1.00 23.04 C ATOM 1284 O ILE A 82 -5.997 -6.571 -20.902 1.00 15.22 O ATOM 1285 CB ILE A 82 -5.007 -9.078 -22.513 1.00 42.42 C ATOM 1286 CG1 ILE A 82 -3.959 -10.180 -22.683 1.00 35.01 C ATOM 1287 CG2 ILE A 82 -4.521 -7.776 -23.130 1.00 35.40 C ATOM 1288 CD1 ILE A 82 -3.911 -10.759 -24.079 1.00 31.11 C ATOM 0 H ILE A 82 -5.857 -10.906 -21.042 1.00 74.24 H new ATOM 0 HA ILE A 82 -4.422 -8.605 -20.492 1.00 14.12 H new ATOM 0 HB ILE A 82 -5.916 -9.385 -23.031 1.00 42.42 H new ATOM 0 HG12 ILE A 82 -2.977 -9.778 -22.431 1.00 35.01 H new ATOM 0 HG13 ILE A 82 -4.167 -10.981 -21.973 1.00 35.01 H new ATOM 0 HG21 ILE A 82 -4.293 -7.936 -24.184 1.00 35.40 H new ATOM 0 HG22 ILE A 82 -5.298 -7.017 -23.037 1.00 35.40 H new ATOM 0 HG23 ILE A 82 -3.623 -7.441 -22.612 1.00 35.40 H new ATOM 0 HD11 ILE A 82 -3.146 -11.534 -24.125 1.00 31.11 H new ATOM 0 HD12 ILE A 82 -4.880 -11.191 -24.327 1.00 31.11 H new ATOM 0 HD13 ILE A 82 -3.672 -9.970 -24.792 1.00 31.11 H new ATOM 1300 N ALA A 83 -7.622 -8.119 -20.748 1.00 11.04 N ATOM 1301 CA ALA A 83 -8.693 -7.140 -20.604 1.00 62.02 C ATOM 1302 C ALA A 83 -8.691 -6.526 -19.209 1.00 32.20 C ATOM 1303 O ALA A 83 -8.518 -5.317 -19.051 1.00 4.43 O ATOM 1304 CB ALA A 83 -10.039 -7.783 -20.899 1.00 4.41 C ATOM 0 H ALA A 83 -7.934 -9.090 -20.734 1.00 11.04 H new ATOM 0 HA ALA A 83 -8.520 -6.340 -21.324 1.00 62.02 H new ATOM 0 HB1 ALA A 83 -10.829 -7.040 -20.788 1.00 4.41 H new ATOM 0 HB2 ALA A 83 -10.043 -8.167 -21.919 1.00 4.41 H new ATOM 0 HB3 ALA A 83 -10.211 -8.603 -20.202 1.00 4.41 H new ATOM 1310 N VAL A 84 -8.885 -7.367 -18.197 1.00 5.12 N ATOM 1311 CA VAL A 84 -8.906 -6.907 -16.814 1.00 20.13 C ATOM 1312 C VAL A 84 -7.669 -6.076 -16.493 1.00 34.34 C ATOM 1313 O VAL A 84 -7.743 -5.092 -15.756 1.00 35.03 O ATOM 1314 CB VAL A 84 -8.987 -8.089 -15.830 1.00 70.15 C ATOM 1315 CG1 VAL A 84 -9.009 -7.589 -14.395 1.00 55.14 C ATOM 1316 CG2 VAL A 84 -10.209 -8.944 -16.124 1.00 23.23 C ATOM 0 H VAL A 84 -9.030 -8.370 -18.310 1.00 5.12 H new ATOM 0 HA VAL A 84 -9.796 -6.288 -16.700 1.00 20.13 H new ATOM 0 HB VAL A 84 -8.099 -8.708 -15.960 1.00 70.15 H new ATOM 0 HG11 VAL A 84 -9.066 -8.439 -13.715 1.00 55.14 H new ATOM 0 HG12 VAL A 84 -8.100 -7.023 -14.193 1.00 55.14 H new ATOM 0 HG13 VAL A 84 -9.877 -6.946 -14.247 1.00 55.14 H new ATOM 0 HG21 VAL A 84 -10.250 -9.774 -15.419 1.00 23.23 H new ATOM 0 HG22 VAL A 84 -11.110 -8.338 -16.024 1.00 23.23 H new ATOM 0 HG23 VAL A 84 -10.145 -9.333 -17.140 1.00 23.23 H new ATOM 1326 N LEU A 85 -6.532 -6.477 -17.051 1.00 0.40 N ATOM 1327 CA LEU A 85 -5.277 -5.769 -16.824 1.00 72.41 C ATOM 1328 C LEU A 85 -5.262 -4.436 -17.566 1.00 0.11 C ATOM 1329 O LEU A 85 -4.950 -3.396 -16.987 1.00 54.14 O ATOM 1330 CB LEU A 85 -4.094 -6.629 -17.275 1.00 3.43 C ATOM 1331 CG LEU A 85 -2.759 -6.348 -16.586 1.00 61.23 C ATOM 1332 CD1 LEU A 85 -2.447 -7.431 -15.564 1.00 13.35 C ATOM 1333 CD2 LEU A 85 -1.640 -6.245 -17.613 1.00 3.44 C ATOM 0 H LEU A 85 -6.453 -7.289 -17.664 1.00 0.40 H new ATOM 0 HA LEU A 85 -5.189 -5.571 -15.756 1.00 72.41 H new ATOM 0 HB2 LEU A 85 -4.350 -7.676 -17.114 1.00 3.43 H new ATOM 0 HB3 LEU A 85 -3.961 -6.495 -18.349 1.00 3.43 H new ATOM 0 HG LEU A 85 -2.836 -5.394 -16.064 1.00 61.23 H new ATOM 0 HD11 LEU A 85 -1.493 -7.214 -15.084 1.00 13.35 H new ATOM 0 HD12 LEU A 85 -3.234 -7.458 -14.811 1.00 13.35 H new ATOM 0 HD13 LEU A 85 -2.390 -8.398 -16.064 1.00 13.35 H new ATOM 0 HD21 LEU A 85 -0.697 -6.045 -17.105 1.00 3.44 H new ATOM 0 HD22 LEU A 85 -1.564 -7.183 -18.163 1.00 3.44 H new ATOM 0 HD23 LEU A 85 -1.857 -5.434 -18.308 1.00 3.44 H new ATOM 1345 N TYR A 86 -5.604 -4.475 -18.848 1.00 22.42 N ATOM 1346 CA TYR A 86 -5.630 -3.270 -19.670 1.00 41.12 C ATOM 1347 C TYR A 86 -6.460 -2.176 -19.005 1.00 61.04 C ATOM 1348 O TYR A 86 -6.008 -1.039 -18.865 1.00 22.34 O ATOM 1349 CB TYR A 86 -6.198 -3.584 -21.054 1.00 64.54 C ATOM 1350 CG TYR A 86 -6.455 -2.355 -21.897 1.00 42.51 C ATOM 1351 CD1 TYR A 86 -5.404 -1.580 -22.372 1.00 44.15 C ATOM 1352 CD2 TYR A 86 -7.751 -1.968 -22.216 1.00 64.34 C ATOM 1353 CE1 TYR A 86 -5.636 -0.457 -23.140 1.00 11.14 C ATOM 1354 CE2 TYR A 86 -7.992 -0.846 -22.985 1.00 21.53 C ATOM 1355 CZ TYR A 86 -6.931 -0.093 -23.445 1.00 22.00 C ATOM 1356 OH TYR A 86 -7.166 1.025 -24.211 1.00 21.32 O ATOM 0 H TYR A 86 -5.867 -5.328 -19.342 1.00 22.42 H new ATOM 0 HA TYR A 86 -4.606 -2.912 -19.777 1.00 41.12 H new ATOM 0 HB2 TYR A 86 -5.504 -4.238 -21.582 1.00 64.54 H new ATOM 0 HB3 TYR A 86 -7.131 -4.136 -20.938 1.00 64.54 H new ATOM 0 HD1 TYR A 86 -4.388 -1.861 -22.136 1.00 44.15 H new ATOM 0 HD2 TYR A 86 -8.584 -2.554 -21.857 1.00 64.34 H new ATOM 0 HE1 TYR A 86 -4.807 0.134 -23.501 1.00 11.14 H new ATOM 0 HE2 TYR A 86 -9.005 -0.560 -23.225 1.00 21.53 H new ATOM 0 HH TYR A 86 -8.131 1.140 -24.334 1.00 21.32 H new ATOM 1366 N CYS A 87 -7.673 -2.529 -18.596 1.00 30.33 N ATOM 1367 CA CYS A 87 -8.567 -1.577 -17.945 1.00 31.03 C ATOM 1368 C CYS A 87 -7.869 -0.885 -16.779 1.00 31.21 C ATOM 1369 O CYS A 87 -8.163 0.268 -16.461 1.00 42.43 O ATOM 1370 CB CYS A 87 -9.829 -2.287 -17.451 1.00 74.51 C ATOM 1371 SG CYS A 87 -11.017 -2.674 -18.757 1.00 1.30 S ATOM 0 H CYS A 87 -8.060 -3.466 -18.703 1.00 30.33 H new ATOM 0 HA CYS A 87 -8.847 -0.820 -18.678 1.00 31.03 H new ATOM 0 HB2 CYS A 87 -9.541 -3.212 -16.951 1.00 74.51 H new ATOM 0 HB3 CYS A 87 -10.317 -1.660 -16.705 1.00 74.51 H new ATOM 0 HG CYS A 87 -12.048 -3.275 -18.241 1.00 1.30 H new ATOM 1377 N VAL A 88 -6.941 -1.595 -16.145 1.00 44.35 N ATOM 1378 CA VAL A 88 -6.201 -1.050 -15.014 1.00 1.33 C ATOM 1379 C VAL A 88 -5.185 -0.009 -15.472 1.00 4.22 C ATOM 1380 O VAL A 88 -5.050 1.052 -14.862 1.00 20.21 O ATOM 1381 CB VAL A 88 -5.468 -2.159 -14.235 1.00 24.24 C ATOM 1382 CG1 VAL A 88 -4.832 -1.595 -12.973 1.00 63.44 C ATOM 1383 CG2 VAL A 88 -6.423 -3.295 -13.900 1.00 14.44 C ATOM 0 H VAL A 88 -6.684 -2.550 -16.396 1.00 44.35 H new ATOM 0 HA VAL A 88 -6.931 -0.577 -14.357 1.00 1.33 H new ATOM 0 HB VAL A 88 -4.673 -2.558 -14.866 1.00 24.24 H new ATOM 0 HG11 VAL A 88 -4.319 -2.393 -12.436 1.00 63.44 H new ATOM 0 HG12 VAL A 88 -4.115 -0.820 -13.242 1.00 63.44 H new ATOM 0 HG13 VAL A 88 -5.606 -1.168 -12.335 1.00 63.44 H new ATOM 0 HG21 VAL A 88 -5.888 -4.069 -13.350 1.00 14.44 H new ATOM 0 HG22 VAL A 88 -7.241 -2.914 -13.288 1.00 14.44 H new ATOM 0 HG23 VAL A 88 -6.825 -3.716 -14.822 1.00 14.44 H new ATOM 1393 N HIS A 89 -4.474 -0.320 -16.551 1.00 14.02 N ATOM 1394 CA HIS A 89 -3.470 0.590 -17.093 1.00 22.21 C ATOM 1395 C HIS A 89 -4.128 1.837 -17.678 1.00 63.21 C ATOM 1396 O HIS A 89 -3.418 2.831 -17.829 1.00 41.40 O ATOM 1397 CB HIS A 89 -2.640 -0.114 -18.167 1.00 21.33 C ATOM 1398 CG HIS A 89 -1.739 -1.180 -17.624 1.00 13.41 C ATOM 1399 ND1 HIS A 89 -1.271 -1.182 -16.326 1.00 30.35 N ATOM 1400 CD2 HIS A 89 -1.219 -2.284 -18.210 1.00 60.11 C ATOM 1401 CE1 HIS A 89 -0.502 -2.240 -16.139 1.00 4.13 C ATOM 1402 NE2 HIS A 89 -0.455 -2.925 -17.268 1.00 13.40 N ATOM 0 H HIS A 89 -4.574 -1.194 -17.067 1.00 14.02 H new ATOM 0 HA HIS A 89 -2.813 0.895 -16.278 1.00 22.21 H new ATOM 0 HB2 HIS A 89 -3.312 -0.557 -18.902 1.00 21.33 H new ATOM 0 HB3 HIS A 89 -2.037 0.627 -18.693 1.00 21.33 H new ATOM 0 HD2 HIS A 89 -1.376 -2.601 -19.230 1.00 60.11 H new ATOM 0 HE1 HIS A 89 0.002 -2.501 -15.220 1.00 4.13 H new ATOM 0 HE2 HIS A 89 0.065 -3.790 -17.415 1.00 13.40 H new ATOM 1411 N GLN A 90 -5.417 1.811 -18.000 1.00 43.15 N ATOM 1412 CA GLN A 90 -6.087 2.977 -18.563 1.00 10.41 C ATOM 1413 C GLN A 90 -6.784 3.783 -17.472 1.00 52.33 C ATOM 1414 O GLN A 90 -6.352 4.883 -17.127 1.00 21.10 O ATOM 1415 CB GLN A 90 -7.102 2.547 -19.623 1.00 13.13 C ATOM 1416 CG GLN A 90 -7.785 3.713 -20.320 1.00 62.23 C ATOM 1417 CD GLN A 90 -7.729 3.602 -21.831 1.00 30.10 C ATOM 1418 OE1 GLN A 90 -6.686 3.834 -22.444 1.00 44.21 O ATOM 1419 NE2 GLN A 90 -8.854 3.246 -22.440 1.00 34.25 N ATOM 0 H GLN A 90 -6.018 0.996 -17.881 1.00 43.15 H new ATOM 0 HA GLN A 90 -5.331 3.609 -19.030 1.00 10.41 H new ATOM 0 HB2 GLN A 90 -6.597 1.933 -20.369 1.00 13.13 H new ATOM 0 HB3 GLN A 90 -7.860 1.920 -19.155 1.00 13.13 H new ATOM 0 HG2 GLN A 90 -8.826 3.763 -20.001 1.00 62.23 H new ATOM 0 HG3 GLN A 90 -7.312 4.645 -20.010 1.00 62.23 H new ATOM 0 HE21 GLN A 90 -9.695 3.063 -21.892 1.00 34.25 H new ATOM 0 HE22 GLN A 90 -8.877 3.155 -23.456 1.00 34.25 H new ATOM 1428 N ARG A 91 -7.865 3.229 -16.932 1.00 53.01 N ATOM 1429 CA ARG A 91 -8.623 3.897 -15.881 1.00 53.11 C ATOM 1430 C ARG A 91 -9.800 3.039 -15.431 1.00 1.52 C ATOM 1431 O ARG A 91 -10.155 3.024 -14.251 1.00 45.21 O ATOM 1432 CB ARG A 91 -9.126 5.256 -16.371 1.00 22.11 C ATOM 1433 CG ARG A 91 -9.739 5.213 -17.761 1.00 74.42 C ATOM 1434 CD ARG A 91 -10.729 6.349 -17.968 1.00 22.34 C ATOM 1435 NE ARG A 91 -12.101 5.937 -17.683 1.00 35.51 N ATOM 1436 CZ ARG A 91 -13.101 6.792 -17.500 1.00 12.41 C ATOM 1437 NH1 ARG A 91 -12.883 8.098 -17.571 1.00 61.31 N ATOM 1438 NH2 ARG A 91 -14.322 6.341 -17.244 1.00 54.12 N ATOM 0 H ARG A 91 -8.235 2.319 -17.205 1.00 53.01 H new ATOM 0 HA ARG A 91 -7.960 4.048 -15.029 1.00 53.11 H new ATOM 0 HB2 ARG A 91 -9.868 5.635 -15.668 1.00 22.11 H new ATOM 0 HB3 ARG A 91 -8.296 5.963 -16.371 1.00 22.11 H new ATOM 0 HG2 ARG A 91 -8.950 5.276 -18.510 1.00 74.42 H new ATOM 0 HG3 ARG A 91 -10.243 4.258 -17.908 1.00 74.42 H new ATOM 0 HD2 ARG A 91 -10.460 7.186 -17.324 1.00 22.34 H new ATOM 0 HD3 ARG A 91 -10.663 6.705 -18.996 1.00 22.34 H new ATOM 0 HE ARG A 91 -12.302 4.939 -17.621 1.00 35.51 H new ATOM 0 HH11 ARG A 91 -11.945 8.449 -17.767 1.00 61.31 H new ATOM 0 HH12 ARG A 91 -13.653 8.752 -17.430 1.00 61.31 H new ATOM 0 HH21 ARG A 91 -14.493 5.337 -17.188 1.00 54.12 H new ATOM 0 HH22 ARG A 91 -15.089 6.998 -17.104 1.00 54.12 H new ATOM 1452 N ILE A 92 -10.403 2.326 -16.377 1.00 71.24 N ATOM 1453 CA ILE A 92 -11.540 1.465 -16.077 1.00 21.30 C ATOM 1454 C ILE A 92 -11.226 0.521 -14.921 1.00 32.43 C ATOM 1455 O ILE A 92 -10.225 -0.193 -14.945 1.00 70.54 O ATOM 1456 CB ILE A 92 -11.957 0.634 -17.305 1.00 54.23 C ATOM 1457 CG1 ILE A 92 -12.305 1.554 -18.477 1.00 2.23 C ATOM 1458 CG2 ILE A 92 -13.134 -0.266 -16.962 1.00 0.44 C ATOM 1459 CD1 ILE A 92 -11.239 1.599 -19.548 1.00 21.51 C ATOM 0 H ILE A 92 -10.123 2.328 -17.358 1.00 71.24 H new ATOM 0 HA ILE A 92 -12.365 2.119 -15.794 1.00 21.30 H new ATOM 0 HB ILE A 92 -11.118 0.004 -17.600 1.00 54.23 H new ATOM 0 HG12 ILE A 92 -13.242 1.222 -18.923 1.00 2.23 H new ATOM 0 HG13 ILE A 92 -12.472 2.563 -18.099 1.00 2.23 H new ATOM 0 HG21 ILE A 92 -13.416 -0.846 -17.840 1.00 0.44 H new ATOM 0 HG22 ILE A 92 -12.852 -0.943 -16.155 1.00 0.44 H new ATOM 0 HG23 ILE A 92 -13.979 0.345 -16.644 1.00 0.44 H new ATOM 0 HD11 ILE A 92 -11.554 2.271 -20.347 1.00 21.51 H new ATOM 0 HD12 ILE A 92 -10.305 1.960 -19.117 1.00 21.51 H new ATOM 0 HD13 ILE A 92 -11.088 0.599 -19.954 1.00 21.51 H new ATOM 1471 N ASP A 93 -12.089 0.525 -13.911 1.00 24.32 N ATOM 1472 CA ASP A 93 -11.905 -0.333 -12.747 1.00 10.53 C ATOM 1473 C ASP A 93 -13.030 -1.359 -12.645 1.00 11.31 C ATOM 1474 O ASP A 93 -13.702 -1.460 -11.617 1.00 73.15 O ATOM 1475 CB ASP A 93 -11.848 0.508 -11.471 1.00 1.44 C ATOM 1476 CG ASP A 93 -13.117 1.310 -11.249 1.00 53.02 C ATOM 1477 OD1 ASP A 93 -13.275 2.362 -11.901 1.00 34.21 O ATOM 1478 OD2 ASP A 93 -13.950 0.885 -10.421 1.00 24.43 O ATOM 0 H ASP A 93 -12.922 1.112 -13.875 1.00 24.32 H new ATOM 0 HA ASP A 93 -10.961 -0.866 -12.864 1.00 10.53 H new ATOM 0 HB2 ASP A 93 -11.681 -0.146 -10.615 1.00 1.44 H new ATOM 0 HB3 ASP A 93 -10.997 1.187 -11.524 1.00 1.44 H new ATOM 1483 N VAL A 94 -13.232 -2.117 -13.718 1.00 41.51 N ATOM 1484 CA VAL A 94 -14.276 -3.135 -13.750 1.00 52.35 C ATOM 1485 C VAL A 94 -14.171 -4.067 -12.547 1.00 33.32 C ATOM 1486 O VAL A 94 -13.165 -4.073 -11.837 1.00 60.21 O ATOM 1487 CB VAL A 94 -14.204 -3.972 -15.040 1.00 25.25 C ATOM 1488 CG1 VAL A 94 -14.452 -3.095 -16.259 1.00 1.20 C ATOM 1489 CG2 VAL A 94 -12.861 -4.676 -15.145 1.00 53.04 C ATOM 0 H VAL A 94 -12.686 -2.045 -14.577 1.00 41.51 H new ATOM 0 HA VAL A 94 -15.231 -2.610 -13.719 1.00 52.35 H new ATOM 0 HB VAL A 94 -14.984 -4.732 -15.003 1.00 25.25 H new ATOM 0 HG11 VAL A 94 -14.397 -3.703 -17.162 1.00 1.20 H new ATOM 0 HG12 VAL A 94 -15.441 -2.642 -16.186 1.00 1.20 H new ATOM 0 HG13 VAL A 94 -13.696 -2.311 -16.303 1.00 1.20 H new ATOM 0 HG21 VAL A 94 -12.829 -5.263 -16.063 1.00 53.04 H new ATOM 0 HG22 VAL A 94 -12.062 -3.935 -15.160 1.00 53.04 H new ATOM 0 HG23 VAL A 94 -12.728 -5.336 -14.288 1.00 53.04 H new ATOM 1499 N LYS A 95 -15.218 -4.854 -12.323 1.00 72.54 N ATOM 1500 CA LYS A 95 -15.245 -5.793 -11.208 1.00 10.31 C ATOM 1501 C LYS A 95 -14.905 -7.204 -11.675 1.00 62.50 C ATOM 1502 O LYS A 95 -14.264 -7.970 -10.955 1.00 33.45 O ATOM 1503 CB LYS A 95 -16.621 -5.783 -10.540 1.00 44.42 C ATOM 1504 CG LYS A 95 -16.569 -5.977 -9.035 1.00 13.32 C ATOM 1505 CD LYS A 95 -17.731 -5.284 -8.343 1.00 40.41 C ATOM 1506 CE LYS A 95 -17.348 -3.889 -7.872 1.00 25.23 C ATOM 1507 NZ LYS A 95 -16.567 -3.925 -6.605 1.00 60.25 N ATOM 0 H LYS A 95 -16.060 -4.860 -12.899 1.00 72.54 H new ATOM 0 HA LYS A 95 -14.493 -5.479 -10.484 1.00 10.31 H new ATOM 0 HB2 LYS A 95 -17.115 -4.836 -10.759 1.00 44.42 H new ATOM 0 HB3 LYS A 95 -17.234 -6.571 -10.978 1.00 44.42 H new ATOM 0 HG2 LYS A 95 -16.589 -7.042 -8.804 1.00 13.32 H new ATOM 0 HG3 LYS A 95 -15.628 -5.585 -8.649 1.00 13.32 H new ATOM 0 HD2 LYS A 95 -18.577 -5.219 -9.028 1.00 40.41 H new ATOM 0 HD3 LYS A 95 -18.056 -5.880 -7.491 1.00 40.41 H new ATOM 0 HE2 LYS A 95 -16.762 -3.393 -8.646 1.00 25.23 H new ATOM 0 HE3 LYS A 95 -18.250 -3.295 -7.725 1.00 25.23 H new ATOM 0 HZ1 LYS A 95 -16.326 -2.955 -6.318 1.00 60.25 H new ATOM 0 HZ2 LYS A 95 -17.135 -4.375 -5.859 1.00 60.25 H new ATOM 0 HZ3 LYS A 95 -15.693 -4.470 -6.751 1.00 60.25 H new ATOM 1521 N ASP A 96 -15.336 -7.541 -12.886 1.00 44.31 N ATOM 1522 CA ASP A 96 -15.075 -8.861 -13.450 1.00 31.45 C ATOM 1523 C ASP A 96 -14.489 -8.743 -14.855 1.00 1.42 C ATOM 1524 O ASP A 96 -14.281 -7.641 -15.363 1.00 51.01 O ATOM 1525 CB ASP A 96 -16.361 -9.686 -13.489 1.00 2.25 C ATOM 1526 CG ASP A 96 -17.583 -8.841 -13.793 1.00 60.14 C ATOM 1527 OD1 ASP A 96 -17.741 -8.424 -14.959 1.00 32.43 O ATOM 1528 OD2 ASP A 96 -18.382 -8.599 -12.865 1.00 13.10 O ATOM 0 H ASP A 96 -15.867 -6.919 -13.496 1.00 44.31 H new ATOM 0 HA ASP A 96 -14.349 -9.365 -12.812 1.00 31.45 H new ATOM 0 HB2 ASP A 96 -16.266 -10.466 -14.244 1.00 2.25 H new ATOM 0 HB3 ASP A 96 -16.498 -10.185 -12.530 1.00 2.25 H new ATOM 1533 N THR A 97 -14.224 -9.888 -15.477 1.00 14.11 N ATOM 1534 CA THR A 97 -13.660 -9.915 -16.821 1.00 55.43 C ATOM 1535 C THR A 97 -14.745 -9.736 -17.875 1.00 23.51 C ATOM 1536 O THR A 97 -14.495 -9.196 -18.954 1.00 54.25 O ATOM 1537 CB THR A 97 -12.910 -11.234 -17.089 1.00 75.02 C ATOM 1538 OG1 THR A 97 -11.883 -11.422 -16.108 1.00 51.11 O ATOM 1539 CG2 THR A 97 -12.295 -11.233 -18.480 1.00 30.23 C ATOM 0 H THR A 97 -14.391 -10.809 -15.071 1.00 14.11 H new ATOM 0 HA THR A 97 -12.955 -9.086 -16.886 1.00 55.43 H new ATOM 0 HB THR A 97 -13.626 -12.053 -17.026 1.00 75.02 H new ATOM 0 HG1 THR A 97 -12.223 -11.986 -15.383 1.00 51.11 H new ATOM 0 HG21 THR A 97 -11.771 -12.174 -18.647 1.00 30.23 H new ATOM 0 HG22 THR A 97 -13.082 -11.119 -19.226 1.00 30.23 H new ATOM 0 HG23 THR A 97 -11.591 -10.405 -18.566 1.00 30.23 H new ATOM 1547 N LYS A 98 -15.952 -10.193 -17.559 1.00 73.12 N ATOM 1548 CA LYS A 98 -17.078 -10.082 -18.480 1.00 55.24 C ATOM 1549 C LYS A 98 -17.357 -8.623 -18.823 1.00 11.14 C ATOM 1550 O LYS A 98 -17.503 -8.269 -19.993 1.00 14.24 O ATOM 1551 CB LYS A 98 -18.326 -10.722 -17.869 1.00 13.12 C ATOM 1552 CG LYS A 98 -19.059 -11.652 -18.820 1.00 22.12 C ATOM 1553 CD LYS A 98 -18.307 -12.959 -19.013 1.00 13.35 C ATOM 1554 CE LYS A 98 -19.251 -14.098 -19.368 1.00 71.11 C ATOM 1555 NZ LYS A 98 -19.986 -13.834 -20.636 1.00 1.21 N ATOM 0 H LYS A 98 -16.176 -10.644 -16.672 1.00 73.12 H new ATOM 0 HA LYS A 98 -16.819 -10.609 -19.398 1.00 55.24 H new ATOM 0 HB2 LYS A 98 -18.039 -11.280 -16.978 1.00 13.12 H new ATOM 0 HB3 LYS A 98 -19.007 -9.935 -17.547 1.00 13.12 H new ATOM 0 HG2 LYS A 98 -20.056 -11.859 -18.431 1.00 22.12 H new ATOM 0 HG3 LYS A 98 -19.188 -11.160 -19.784 1.00 22.12 H new ATOM 0 HD2 LYS A 98 -17.565 -12.840 -19.803 1.00 13.35 H new ATOM 0 HD3 LYS A 98 -17.764 -13.206 -18.101 1.00 13.35 H new ATOM 0 HE2 LYS A 98 -18.684 -15.024 -19.463 1.00 71.11 H new ATOM 0 HE3 LYS A 98 -19.965 -14.244 -18.558 1.00 71.11 H new ATOM 0 HZ1 LYS A 98 -20.541 -14.674 -20.897 1.00 1.21 H new ATOM 0 HZ2 LYS A 98 -20.625 -13.024 -20.505 1.00 1.21 H new ATOM 0 HZ3 LYS A 98 -19.306 -13.620 -21.393 1.00 1.21 H new ATOM 1569 N GLU A 99 -17.430 -7.781 -17.797 1.00 72.20 N ATOM 1570 CA GLU A 99 -17.692 -6.360 -17.992 1.00 24.04 C ATOM 1571 C GLU A 99 -16.502 -5.674 -18.658 1.00 45.12 C ATOM 1572 O GLU A 99 -16.672 -4.804 -19.513 1.00 51.42 O ATOM 1573 CB GLU A 99 -18.000 -5.687 -16.653 1.00 32.54 C ATOM 1574 CG GLU A 99 -19.349 -6.074 -16.073 1.00 31.23 C ATOM 1575 CD GLU A 99 -20.470 -5.168 -16.547 1.00 70.01 C ATOM 1576 OE1 GLU A 99 -20.569 -4.937 -17.770 1.00 2.21 O ATOM 1577 OE2 GLU A 99 -21.247 -4.692 -15.694 1.00 14.15 O ATOM 0 H GLU A 99 -17.311 -8.058 -16.823 1.00 72.20 H new ATOM 0 HA GLU A 99 -18.558 -6.263 -18.646 1.00 24.04 H new ATOM 0 HB2 GLU A 99 -17.219 -5.946 -15.938 1.00 32.54 H new ATOM 0 HB3 GLU A 99 -17.967 -4.605 -16.784 1.00 32.54 H new ATOM 0 HG2 GLU A 99 -19.577 -7.103 -16.350 1.00 31.23 H new ATOM 0 HG3 GLU A 99 -19.295 -6.041 -14.985 1.00 31.23 H new ATOM 1584 N ALA A 100 -15.299 -6.072 -18.260 1.00 14.24 N ATOM 1585 CA ALA A 100 -14.081 -5.498 -18.818 1.00 34.41 C ATOM 1586 C ALA A 100 -14.013 -5.713 -20.326 1.00 14.01 C ATOM 1587 O ALA A 100 -13.424 -4.911 -21.052 1.00 24.25 O ATOM 1588 CB ALA A 100 -12.857 -6.096 -18.142 1.00 74.25 C ATOM 0 H ALA A 100 -15.141 -6.790 -17.553 1.00 14.24 H new ATOM 0 HA ALA A 100 -14.097 -4.424 -18.631 1.00 34.41 H new ATOM 0 HB1 ALA A 100 -11.955 -5.658 -18.569 1.00 74.25 H new ATOM 0 HB2 ALA A 100 -12.892 -5.885 -17.073 1.00 74.25 H new ATOM 0 HB3 ALA A 100 -12.845 -7.175 -18.299 1.00 74.25 H new ATOM 1594 N LEU A 101 -14.618 -6.800 -20.791 1.00 24.03 N ATOM 1595 CA LEU A 101 -14.626 -7.122 -22.214 1.00 30.40 C ATOM 1596 C LEU A 101 -15.615 -6.239 -22.966 1.00 4.22 C ATOM 1597 O LEU A 101 -15.326 -5.758 -24.062 1.00 74.31 O ATOM 1598 CB LEU A 101 -14.979 -8.596 -22.422 1.00 32.12 C ATOM 1599 CG LEU A 101 -13.848 -9.597 -22.185 1.00 72.23 C ATOM 1600 CD1 LEU A 101 -14.371 -11.023 -22.264 1.00 13.43 C ATOM 1601 CD2 LEU A 101 -12.727 -9.383 -23.192 1.00 51.33 C ATOM 0 H LEU A 101 -15.110 -7.474 -20.204 1.00 24.03 H new ATOM 0 HA LEU A 101 -13.627 -6.935 -22.609 1.00 30.40 H new ATOM 0 HB2 LEU A 101 -15.806 -8.848 -21.758 1.00 32.12 H new ATOM 0 HB3 LEU A 101 -15.341 -8.722 -23.443 1.00 32.12 H new ATOM 0 HG LEU A 101 -13.448 -9.433 -21.184 1.00 72.23 H new ATOM 0 HD11 LEU A 101 -13.552 -11.721 -22.093 1.00 13.43 H new ATOM 0 HD12 LEU A 101 -15.139 -11.172 -21.505 1.00 13.43 H new ATOM 0 HD13 LEU A 101 -14.798 -11.200 -23.251 1.00 13.43 H new ATOM 0 HD21 LEU A 101 -11.930 -10.104 -23.008 1.00 51.33 H new ATOM 0 HD22 LEU A 101 -13.114 -9.519 -24.202 1.00 51.33 H new ATOM 0 HD23 LEU A 101 -12.332 -8.372 -23.088 1.00 51.33 H new ATOM 1613 N ASP A 102 -16.785 -6.029 -22.370 1.00 22.41 N ATOM 1614 CA ASP A 102 -17.818 -5.201 -22.983 1.00 75.53 C ATOM 1615 C ASP A 102 -17.353 -3.753 -23.102 1.00 55.22 C ATOM 1616 O ASP A 102 -17.587 -3.095 -24.116 1.00 44.51 O ATOM 1617 CB ASP A 102 -19.108 -5.270 -22.165 1.00 62.11 C ATOM 1618 CG ASP A 102 -19.926 -6.508 -22.478 1.00 23.40 C ATOM 1619 OD1 ASP A 102 -19.478 -7.620 -22.127 1.00 21.20 O ATOM 1620 OD2 ASP A 102 -21.014 -6.365 -23.073 1.00 72.44 O ATOM 0 H ASP A 102 -17.041 -6.421 -21.464 1.00 22.41 H new ATOM 0 HA ASP A 102 -18.011 -5.585 -23.985 1.00 75.53 H new ATOM 0 HB2 ASP A 102 -18.863 -5.259 -21.103 1.00 62.11 H new ATOM 0 HB3 ASP A 102 -19.708 -4.382 -22.363 1.00 62.11 H new ATOM 1625 N LYS A 103 -16.693 -3.261 -22.059 1.00 51.43 N ATOM 1626 CA LYS A 103 -16.194 -1.890 -22.044 1.00 45.04 C ATOM 1627 C LYS A 103 -15.287 -1.630 -23.243 1.00 55.13 C ATOM 1628 O LYS A 103 -15.376 -0.582 -23.884 1.00 74.21 O ATOM 1629 CB LYS A 103 -15.434 -1.616 -20.745 1.00 61.31 C ATOM 1630 CG LYS A 103 -16.000 -0.458 -19.942 1.00 45.22 C ATOM 1631 CD LYS A 103 -17.396 -0.767 -19.427 1.00 54.23 C ATOM 1632 CE LYS A 103 -17.861 0.276 -18.421 1.00 4.03 C ATOM 1633 NZ LYS A 103 -17.411 -0.046 -17.039 1.00 73.54 N ATOM 0 H LYS A 103 -16.491 -3.792 -21.212 1.00 51.43 H new ATOM 0 HA LYS A 103 -17.049 -1.217 -22.105 1.00 45.04 H new ATOM 0 HB2 LYS A 103 -15.448 -2.515 -20.129 1.00 61.31 H new ATOM 0 HB3 LYS A 103 -14.391 -1.408 -20.981 1.00 61.31 H new ATOM 0 HG2 LYS A 103 -15.341 -0.240 -19.102 1.00 45.22 H new ATOM 0 HG3 LYS A 103 -16.030 0.437 -20.564 1.00 45.22 H new ATOM 0 HD2 LYS A 103 -18.094 -0.804 -20.263 1.00 54.23 H new ATOM 0 HD3 LYS A 103 -17.404 -1.752 -18.961 1.00 54.23 H new ATOM 0 HE2 LYS A 103 -17.477 1.255 -18.709 1.00 4.03 H new ATOM 0 HE3 LYS A 103 -18.949 0.341 -18.443 1.00 4.03 H new ATOM 0 HZ1 LYS A 103 -17.748 0.688 -16.384 1.00 73.54 H new ATOM 0 HZ2 LYS A 103 -17.798 -0.968 -16.754 1.00 73.54 H new ATOM 0 HZ3 LYS A 103 -16.372 -0.083 -17.012 1.00 73.54 H new ATOM 1647 N ILE A 104 -14.416 -2.589 -23.540 1.00 15.32 N ATOM 1648 CA ILE A 104 -13.494 -2.462 -24.662 1.00 1.44 C ATOM 1649 C ILE A 104 -14.225 -2.610 -25.992 1.00 42.42 C ATOM 1650 O ILE A 104 -13.954 -1.879 -26.944 1.00 11.51 O ATOM 1651 CB ILE A 104 -12.370 -3.512 -24.587 1.00 12.03 C ATOM 1652 CG1 ILE A 104 -11.619 -3.392 -23.260 1.00 53.25 C ATOM 1653 CG2 ILE A 104 -11.414 -3.347 -25.760 1.00 53.23 C ATOM 1654 CD1 ILE A 104 -10.704 -4.564 -22.976 1.00 15.44 C ATOM 0 H ILE A 104 -14.330 -3.462 -23.019 1.00 15.32 H new ATOM 0 HA ILE A 104 -13.055 -1.466 -24.600 1.00 1.44 H new ATOM 0 HB ILE A 104 -12.815 -4.505 -24.642 1.00 12.03 H new ATOM 0 HG12 ILE A 104 -11.030 -2.475 -23.267 1.00 53.25 H new ATOM 0 HG13 ILE A 104 -12.342 -3.301 -22.449 1.00 53.25 H new ATOM 0 HG21 ILE A 104 -10.625 -4.096 -25.694 1.00 53.23 H new ATOM 0 HG22 ILE A 104 -11.959 -3.476 -26.695 1.00 53.23 H new ATOM 0 HG23 ILE A 104 -10.972 -2.351 -25.732 1.00 53.23 H new ATOM 0 HD11 ILE A 104 -10.204 -4.412 -22.019 1.00 15.44 H new ATOM 0 HD12 ILE A 104 -11.290 -5.482 -22.937 1.00 15.44 H new ATOM 0 HD13 ILE A 104 -9.958 -4.643 -23.767 1.00 15.44 H new