USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 156:sc= -0.458! USER MOD Set 1.2: A 80 ASN : amide:sc= -3.37! C(o=-1.7!,f=-4.3!) USER MOD Set 1.3: A 81 THR OG1 : rot 78:sc= 1.24 USER MOD Set 1.4: A 97 THR OG1 : rot 121:sc= 0.913 USER MOD Set 2.1: A 54 SER OG : rot 157:sc= 0.863 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.491 K(o=1.4,f=-4.3) USER MOD Set 3.1: A 57 CYS SG : rot 120:sc= -0.262 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -0.293 K(o=-0.56,f=-2.5) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= 1.23 F(o=0.53,f=1.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.781 K(o=0.78,f=-4.4!) USER MOD Single : A 38 SER OG : rot 84:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.515 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.24 K(o=-1.2,f=-7.8!) USER MOD Single : A 67 SER OG : rot 115:sc= 0.00109 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.5) 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 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 87 CYS SG : rot -73:sc= -0.0702 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 5.940 6.498 -4.616 1.00 64.02 N ATOM 64 CA ARG A 7 7.038 6.416 -3.661 1.00 35.45 C ATOM 65 C ARG A 7 7.784 5.091 -3.803 1.00 1.31 C ATOM 66 O ARG A 7 9.014 5.052 -3.758 1.00 11.25 O ATOM 67 CB ARG A 7 6.513 6.566 -2.233 1.00 63.23 C ATOM 68 CG ARG A 7 6.861 7.901 -1.594 1.00 41.13 C ATOM 69 CD ARG A 7 7.409 7.719 -0.187 1.00 74.22 C ATOM 70 NE ARG A 7 8.620 6.901 -0.173 1.00 53.41 N ATOM 71 CZ ARG A 7 9.501 6.911 0.821 1.00 54.33 C ATOM 72 NH1 ARG A 7 9.308 7.692 1.875 1.00 72.11 N ATOM 73 NH2 ARG A 7 10.579 6.140 0.761 1.00 33.00 N ATOM 0 HA ARG A 7 7.732 7.230 -3.873 1.00 35.45 H new ATOM 0 HB2 ARG A 7 5.430 6.447 -2.239 1.00 63.23 H new ATOM 0 HB3 ARG A 7 6.919 5.762 -1.619 1.00 63.23 H new ATOM 0 HG2 ARG A 7 7.598 8.419 -2.208 1.00 41.13 H new ATOM 0 HG3 ARG A 7 5.973 8.532 -1.561 1.00 41.13 H new ATOM 0 HD2 ARG A 7 7.626 8.695 0.247 1.00 74.22 H new ATOM 0 HD3 ARG A 7 6.649 7.253 0.441 1.00 74.22 H new ATOM 0 HE ARG A 7 8.798 6.289 -0.970 1.00 53.41 H new ATOM 0 HH11 ARG A 7 8.481 8.287 1.924 1.00 72.11 H new ATOM 0 HH12 ARG A 7 9.986 7.697 2.637 1.00 72.11 H new ATOM 0 HH21 ARG A 7 10.732 5.539 -0.049 1.00 33.00 H new ATOM 0 HH22 ARG A 7 11.255 6.148 1.525 1.00 33.00 H new ATOM 87 N LEU A 8 7.031 4.010 -3.973 1.00 75.02 N ATOM 88 CA LEU A 8 7.621 2.683 -4.121 1.00 40.41 C ATOM 89 C LEU A 8 8.260 2.522 -5.496 1.00 71.21 C ATOM 90 O LEU A 8 8.349 3.478 -6.267 1.00 72.14 O ATOM 91 CB LEU A 8 6.557 1.605 -3.910 1.00 14.41 C ATOM 92 CG LEU A 8 5.645 1.790 -2.697 1.00 72.15 C ATOM 93 CD1 LEU A 8 4.567 0.718 -2.671 1.00 62.44 C ATOM 94 CD2 LEU A 8 6.457 1.764 -1.410 1.00 55.01 C ATOM 0 H LEU A 8 6.012 4.025 -4.012 1.00 75.02 H new ATOM 0 HA LEU A 8 8.398 2.571 -3.365 1.00 40.41 H new ATOM 0 HB2 LEU A 8 5.934 1.558 -4.803 1.00 14.41 H new ATOM 0 HB3 LEU A 8 7.058 0.641 -3.819 1.00 14.41 H new ATOM 0 HG LEU A 8 5.159 2.763 -2.777 1.00 72.15 H new ATOM 0 HD11 LEU A 8 3.928 0.866 -1.801 1.00 62.44 H new ATOM 0 HD12 LEU A 8 3.966 0.784 -3.578 1.00 62.44 H new ATOM 0 HD13 LEU A 8 5.033 -0.266 -2.616 1.00 62.44 H new ATOM 0 HD21 LEU A 8 5.791 1.897 -0.557 1.00 55.01 H new ATOM 0 HD22 LEU A 8 6.971 0.807 -1.323 1.00 55.01 H new ATOM 0 HD23 LEU A 8 7.191 2.570 -1.427 1.00 55.01 H new ATOM 106 N SER A 9 8.701 1.305 -5.798 1.00 3.14 N ATOM 107 CA SER A 9 9.333 1.018 -7.081 1.00 73.21 C ATOM 108 C SER A 9 9.099 -0.433 -7.489 1.00 35.41 C ATOM 109 O SER A 9 8.408 -1.180 -6.798 1.00 30.21 O ATOM 110 CB SER A 9 10.835 1.304 -7.009 1.00 64.43 C ATOM 111 OG SER A 9 11.540 0.193 -6.483 1.00 50.21 O ATOM 0 H SER A 9 8.632 0.502 -5.172 1.00 3.14 H new ATOM 0 HA SER A 9 8.883 1.666 -7.833 1.00 73.21 H new ATOM 0 HB2 SER A 9 11.212 1.540 -8.004 1.00 64.43 H new ATOM 0 HB3 SER A 9 11.012 2.180 -6.385 1.00 64.43 H new ATOM 0 HG SER A 9 12.497 0.400 -6.449 1.00 50.21 H new ATOM 117 N GLY A 10 9.681 -0.825 -8.618 1.00 34.34 N ATOM 118 CA GLY A 10 9.525 -2.184 -9.101 1.00 22.53 C ATOM 119 C GLY A 10 9.800 -3.217 -8.025 1.00 1.54 C ATOM 120 O GLY A 10 9.062 -4.190 -7.885 1.00 20.15 O ATOM 0 H GLY A 10 10.258 -0.225 -9.207 1.00 34.34 H new ATOM 0 HA2 GLY A 10 8.511 -2.318 -9.478 1.00 22.53 H new ATOM 0 HA3 GLY A 10 10.202 -2.348 -9.940 1.00 22.53 H new ATOM 124 N GLY A 11 10.869 -3.004 -7.263 1.00 22.13 N ATOM 125 CA GLY A 11 11.222 -3.933 -6.206 1.00 62.12 C ATOM 126 C GLY A 11 10.100 -4.128 -5.206 1.00 63.40 C ATOM 127 O GLY A 11 9.618 -5.244 -5.015 1.00 42.51 O ATOM 0 H GLY A 11 11.496 -2.205 -7.359 1.00 22.13 H new ATOM 0 HA2 GLY A 11 11.484 -4.896 -6.645 1.00 62.12 H new ATOM 0 HA3 GLY A 11 12.108 -3.568 -5.687 1.00 62.12 H new ATOM 131 N GLU A 12 9.684 -3.039 -4.566 1.00 25.30 N ATOM 132 CA GLU A 12 8.612 -3.098 -3.579 1.00 71.13 C ATOM 133 C GLU A 12 7.291 -3.491 -4.232 1.00 44.21 C ATOM 134 O GLU A 12 6.379 -3.986 -3.568 1.00 41.15 O ATOM 135 CB GLU A 12 8.463 -1.747 -2.874 1.00 34.14 C ATOM 136 CG GLU A 12 8.658 -1.821 -1.369 1.00 14.32 C ATOM 137 CD GLU A 12 9.625 -0.772 -0.854 1.00 21.42 C ATOM 138 OE1 GLU A 12 10.848 -0.958 -1.023 1.00 43.31 O ATOM 139 OE2 GLU A 12 9.157 0.235 -0.282 1.00 0.22 O ATOM 0 H GLU A 12 10.072 -2.107 -4.713 1.00 25.30 H new ATOM 0 HA GLU A 12 8.873 -3.858 -2.843 1.00 71.13 H new ATOM 0 HB2 GLU A 12 9.187 -1.047 -3.292 1.00 34.14 H new ATOM 0 HB3 GLU A 12 7.472 -1.344 -3.084 1.00 34.14 H new ATOM 0 HG2 GLU A 12 7.695 -1.696 -0.875 1.00 14.32 H new ATOM 0 HG3 GLU A 12 9.026 -2.812 -1.102 1.00 14.32 H new ATOM 146 N LEU A 13 7.194 -3.266 -5.538 1.00 65.41 N ATOM 147 CA LEU A 13 5.984 -3.596 -6.283 1.00 22.53 C ATOM 148 C LEU A 13 5.783 -5.107 -6.355 1.00 43.33 C ATOM 149 O LEU A 13 4.658 -5.587 -6.503 1.00 54.24 O ATOM 150 CB LEU A 13 6.056 -3.013 -7.696 1.00 42.21 C ATOM 151 CG LEU A 13 4.836 -3.255 -8.585 1.00 44.23 C ATOM 152 CD1 LEU A 13 3.647 -2.443 -8.093 1.00 62.25 C ATOM 153 CD2 LEU A 13 5.155 -2.913 -10.033 1.00 42.41 C ATOM 0 H LEU A 13 7.938 -2.857 -6.103 1.00 65.41 H new ATOM 0 HA LEU A 13 5.134 -3.159 -5.758 1.00 22.53 H new ATOM 0 HB2 LEU A 13 6.215 -1.938 -7.616 1.00 42.21 H new ATOM 0 HB3 LEU A 13 6.932 -3.428 -8.195 1.00 42.21 H new ATOM 0 HG LEU A 13 4.575 -4.312 -8.531 1.00 44.23 H new ATOM 0 HD11 LEU A 13 2.788 -2.628 -8.738 1.00 62.25 H new ATOM 0 HD12 LEU A 13 3.404 -2.736 -7.072 1.00 62.25 H new ATOM 0 HD13 LEU A 13 3.896 -1.382 -8.116 1.00 62.25 H new ATOM 0 HD21 LEU A 13 4.275 -3.091 -10.651 1.00 42.41 H new ATOM 0 HD22 LEU A 13 5.442 -1.864 -10.104 1.00 42.41 H new ATOM 0 HD23 LEU A 13 5.977 -3.538 -10.382 1.00 42.41 H new ATOM 165 N ASP A 14 6.878 -5.849 -6.244 1.00 33.33 N ATOM 166 CA ASP A 14 6.822 -7.306 -6.294 1.00 73.13 C ATOM 167 C ASP A 14 6.038 -7.859 -5.108 1.00 60.02 C ATOM 168 O ASP A 14 5.245 -8.790 -5.253 1.00 12.11 O ATOM 169 CB ASP A 14 8.235 -7.892 -6.304 1.00 1.21 C ATOM 170 CG ASP A 14 8.366 -9.069 -7.252 1.00 60.03 C ATOM 171 OD1 ASP A 14 7.323 -9.595 -7.691 1.00 61.13 O ATOM 172 OD2 ASP A 14 9.512 -9.463 -7.552 1.00 21.30 O ATOM 0 H ASP A 14 7.815 -5.467 -6.119 1.00 33.33 H new ATOM 0 HA ASP A 14 6.311 -7.595 -7.212 1.00 73.13 H new ATOM 0 HB2 ASP A 14 8.945 -7.117 -6.592 1.00 1.21 H new ATOM 0 HB3 ASP A 14 8.501 -8.210 -5.296 1.00 1.21 H new ATOM 177 N LYS A 15 6.266 -7.282 -3.933 1.00 63.42 N ATOM 178 CA LYS A 15 5.581 -7.717 -2.720 1.00 13.44 C ATOM 179 C LYS A 15 4.156 -7.175 -2.677 1.00 30.43 C ATOM 180 O LYS A 15 3.222 -7.890 -2.313 1.00 42.45 O ATOM 181 CB LYS A 15 6.353 -7.254 -1.482 1.00 65.21 C ATOM 182 CG LYS A 15 7.068 -8.379 -0.756 1.00 73.41 C ATOM 183 CD LYS A 15 7.902 -7.855 0.401 1.00 53.52 C ATOM 184 CE LYS A 15 8.749 -8.955 1.021 1.00 74.33 C ATOM 185 NZ LYS A 15 10.204 -8.722 0.804 1.00 72.54 N ATOM 0 H LYS A 15 6.920 -6.512 -3.794 1.00 63.42 H new ATOM 0 HA LYS A 15 5.536 -8.806 -2.727 1.00 13.44 H new ATOM 0 HB2 LYS A 15 7.084 -6.503 -1.780 1.00 65.21 H new ATOM 0 HB3 LYS A 15 5.661 -6.770 -0.793 1.00 65.21 H new ATOM 0 HG2 LYS A 15 6.336 -9.095 -0.383 1.00 73.41 H new ATOM 0 HG3 LYS A 15 7.710 -8.914 -1.455 1.00 73.41 H new ATOM 0 HD2 LYS A 15 8.549 -7.051 0.050 1.00 53.52 H new ATOM 0 HD3 LYS A 15 7.246 -7.428 1.160 1.00 53.52 H new ATOM 0 HE2 LYS A 15 8.546 -9.011 2.090 1.00 74.33 H new ATOM 0 HE3 LYS A 15 8.467 -9.916 0.592 1.00 74.33 H new ATOM 0 HZ1 LYS A 15 10.748 -9.493 1.241 1.00 72.54 H new ATOM 0 HZ2 LYS A 15 10.403 -8.693 -0.216 1.00 72.54 H new ATOM 0 HZ3 LYS A 15 10.479 -7.817 1.236 1.00 72.54 H new ATOM 199 N TRP A 16 3.996 -5.911 -3.052 1.00 75.12 N ATOM 200 CA TRP A 16 2.684 -5.275 -3.057 1.00 11.11 C ATOM 201 C TRP A 16 1.698 -6.069 -3.907 1.00 41.41 C ATOM 202 O TRP A 16 0.525 -6.192 -3.558 1.00 63.22 O ATOM 203 CB TRP A 16 2.791 -3.843 -3.582 1.00 42.24 C ATOM 204 CG TRP A 16 1.467 -3.147 -3.681 1.00 61.00 C ATOM 205 CD1 TRP A 16 0.867 -2.686 -4.819 1.00 51.13 C ATOM 206 CD2 TRP A 16 0.581 -2.832 -2.601 1.00 22.15 C ATOM 207 NE1 TRP A 16 -0.339 -2.103 -4.511 1.00 41.42 N ATOM 208 CE2 TRP A 16 -0.538 -2.180 -3.158 1.00 52.14 C ATOM 209 CE3 TRP A 16 0.622 -3.038 -1.221 1.00 61.45 C ATOM 210 CZ2 TRP A 16 -1.603 -1.734 -2.379 1.00 72.25 C ATOM 211 CZ3 TRP A 16 -0.435 -2.595 -0.449 1.00 65.21 C ATOM 212 CH2 TRP A 16 -1.536 -1.950 -1.029 1.00 52.44 C ATOM 0 H TRP A 16 4.759 -5.306 -3.357 1.00 75.12 H new ATOM 0 HA TRP A 16 2.315 -5.252 -2.032 1.00 11.11 H new ATOM 0 HB2 TRP A 16 3.446 -3.271 -2.925 1.00 42.24 H new ATOM 0 HB3 TRP A 16 3.260 -3.858 -4.566 1.00 42.24 H new ATOM 0 HD1 TRP A 16 1.280 -2.768 -5.814 1.00 51.13 H new ATOM 0 HE1 TRP A 16 -0.982 -1.681 -5.181 1.00 41.42 H new ATOM 0 HE3 TRP A 16 1.465 -3.535 -0.765 1.00 61.45 H new ATOM 0 HZ2 TRP A 16 -2.451 -1.236 -2.824 1.00 72.25 H new ATOM 0 HZ3 TRP A 16 -0.412 -2.748 0.620 1.00 65.21 H new ATOM 0 HH2 TRP A 16 -2.347 -1.617 -0.399 1.00 52.44 H new ATOM 223 N GLU A 17 2.182 -6.605 -5.022 1.00 33.25 N ATOM 224 CA GLU A 17 1.341 -7.387 -5.921 1.00 32.24 C ATOM 225 C GLU A 17 1.319 -8.856 -5.506 1.00 3.52 C ATOM 226 O GLU A 17 0.592 -9.665 -6.084 1.00 52.24 O ATOM 227 CB GLU A 17 1.841 -7.261 -7.362 1.00 43.50 C ATOM 228 CG GLU A 17 1.581 -5.896 -7.979 1.00 71.44 C ATOM 229 CD GLU A 17 1.459 -5.952 -9.489 1.00 44.52 C ATOM 230 OE1 GLU A 17 1.013 -6.995 -10.011 1.00 65.03 O ATOM 231 OE2 GLU A 17 1.810 -4.952 -10.149 1.00 2.14 O ATOM 0 H GLU A 17 3.152 -6.512 -5.325 1.00 33.25 H new ATOM 0 HA GLU A 17 0.326 -6.995 -5.860 1.00 32.24 H new ATOM 0 HB2 GLU A 17 2.912 -7.463 -7.385 1.00 43.50 H new ATOM 0 HB3 GLU A 17 1.359 -8.024 -7.973 1.00 43.50 H new ATOM 0 HG2 GLU A 17 0.665 -5.480 -7.559 1.00 71.44 H new ATOM 0 HG3 GLU A 17 2.391 -5.219 -7.709 1.00 71.44 H new ATOM 238 N LYS A 18 2.121 -9.192 -4.502 1.00 43.32 N ATOM 239 CA LYS A 18 2.194 -10.562 -4.007 1.00 33.24 C ATOM 240 C LYS A 18 1.025 -10.868 -3.076 1.00 53.53 C ATOM 241 O LYS A 18 0.644 -12.026 -2.904 1.00 44.13 O ATOM 242 CB LYS A 18 3.518 -10.791 -3.274 1.00 45.13 C ATOM 243 CG LYS A 18 3.832 -12.257 -3.030 1.00 61.03 C ATOM 244 CD LYS A 18 4.764 -12.437 -1.843 1.00 11.04 C ATOM 245 CE LYS A 18 5.430 -13.805 -1.861 1.00 54.40 C ATOM 246 NZ LYS A 18 6.874 -13.723 -1.504 1.00 63.30 N ATOM 0 H LYS A 18 2.730 -8.535 -4.015 1.00 43.32 H new ATOM 0 HA LYS A 18 2.138 -11.235 -4.863 1.00 33.24 H new ATOM 0 HB2 LYS A 18 4.327 -10.347 -3.854 1.00 45.13 H new ATOM 0 HB3 LYS A 18 3.489 -10.270 -2.317 1.00 45.13 H new ATOM 0 HG2 LYS A 18 2.906 -12.804 -2.853 1.00 61.03 H new ATOM 0 HG3 LYS A 18 4.290 -12.685 -3.922 1.00 61.03 H new ATOM 0 HD2 LYS A 18 5.527 -11.659 -1.857 1.00 11.04 H new ATOM 0 HD3 LYS A 18 4.203 -12.316 -0.916 1.00 11.04 H new ATOM 0 HE2 LYS A 18 4.920 -14.467 -1.161 1.00 54.40 H new ATOM 0 HE3 LYS A 18 5.325 -14.247 -2.852 1.00 54.40 H new ATOM 0 HZ1 LYS A 18 7.292 -14.675 -1.527 1.00 63.30 H new ATOM 0 HZ2 LYS A 18 7.366 -13.112 -2.187 1.00 63.30 H new ATOM 0 HZ3 LYS A 18 6.973 -13.325 -0.548 1.00 63.30 H new ATOM 260 N ILE A 19 0.460 -9.823 -2.481 1.00 51.43 N ATOM 261 CA ILE A 19 -0.666 -9.981 -1.569 1.00 5.21 C ATOM 262 C ILE A 19 -1.981 -10.088 -2.335 1.00 61.12 C ATOM 263 O ILE A 19 -2.306 -9.230 -3.156 1.00 53.33 O ATOM 264 CB ILE A 19 -0.758 -8.806 -0.578 1.00 50.10 C ATOM 265 CG1 ILE A 19 0.559 -8.653 0.186 1.00 13.52 C ATOM 266 CG2 ILE A 19 -1.915 -9.016 0.388 1.00 23.31 C ATOM 267 CD1 ILE A 19 1.288 -7.363 -0.121 1.00 53.13 C ATOM 0 H ILE A 19 0.763 -8.858 -2.614 1.00 51.43 H new ATOM 0 HA ILE A 19 -0.494 -10.902 -1.012 1.00 5.21 H new ATOM 0 HB ILE A 19 -0.941 -7.890 -1.139 1.00 50.10 H new ATOM 0 HG12 ILE A 19 0.357 -8.701 1.256 1.00 13.52 H new ATOM 0 HG13 ILE A 19 1.209 -9.494 -0.054 1.00 13.52 H new ATOM 0 HG21 ILE A 19 -1.967 -8.177 1.082 1.00 23.31 H new ATOM 0 HG22 ILE A 19 -2.848 -9.082 -0.171 1.00 23.31 H new ATOM 0 HG23 ILE A 19 -1.760 -9.939 0.946 1.00 23.31 H new ATOM 0 HD11 ILE A 19 2.212 -7.321 0.455 1.00 53.13 H new ATOM 0 HD12 ILE A 19 1.521 -7.321 -1.185 1.00 53.13 H new ATOM 0 HD13 ILE A 19 0.656 -6.516 0.145 1.00 53.13 H new ATOM 279 N ARG A 20 -2.736 -11.147 -2.059 1.00 53.41 N ATOM 280 CA ARG A 20 -4.017 -11.366 -2.721 1.00 73.42 C ATOM 281 C ARG A 20 -5.145 -10.672 -1.965 1.00 0.54 C ATOM 282 O ARG A 20 -5.117 -10.574 -0.738 1.00 42.30 O ATOM 283 CB ARG A 20 -4.308 -12.864 -2.830 1.00 42.10 C ATOM 284 CG ARG A 20 -3.163 -13.665 -3.427 1.00 23.21 C ATOM 285 CD ARG A 20 -3.608 -15.065 -3.822 1.00 43.22 C ATOM 286 NE ARG A 20 -2.726 -16.094 -3.279 1.00 65.22 N ATOM 287 CZ ARG A 20 -3.007 -17.392 -3.306 1.00 32.43 C ATOM 288 NH1 ARG A 20 -4.140 -17.817 -3.847 1.00 65.22 N ATOM 289 NH2 ARG A 20 -2.153 -18.268 -2.791 1.00 1.14 N ATOM 0 H ARG A 20 -2.483 -11.866 -1.382 1.00 53.41 H new ATOM 0 HA ARG A 20 -3.958 -10.940 -3.722 1.00 73.42 H new ATOM 0 HB2 ARG A 20 -4.535 -13.255 -1.838 1.00 42.10 H new ATOM 0 HB3 ARG A 20 -5.199 -13.009 -3.441 1.00 42.10 H new ATOM 0 HG2 ARG A 20 -2.772 -13.146 -4.302 1.00 23.21 H new ATOM 0 HG3 ARG A 20 -2.349 -13.731 -2.705 1.00 23.21 H new ATOM 0 HD2 ARG A 20 -4.625 -15.235 -3.468 1.00 43.22 H new ATOM 0 HD3 ARG A 20 -3.632 -15.145 -4.909 1.00 43.22 H new ATOM 0 HE ARG A 20 -1.846 -15.800 -2.856 1.00 65.22 H new ATOM 0 HH11 ARG A 20 -4.799 -17.147 -4.244 1.00 65.22 H new ATOM 0 HH12 ARG A 20 -4.353 -18.814 -3.866 1.00 65.22 H new ATOM 0 HH21 ARG A 20 -1.280 -17.945 -2.374 1.00 1.14 H new ATOM 0 HH22 ARG A 20 -2.370 -19.264 -2.812 1.00 1.14 H new ATOM 303 N LEU A 21 -6.137 -10.189 -2.706 1.00 21.00 N ATOM 304 CA LEU A 21 -7.276 -9.503 -2.107 1.00 50.34 C ATOM 305 C LEU A 21 -8.104 -10.461 -1.257 1.00 13.11 C ATOM 306 O LEU A 21 -8.480 -10.139 -0.129 1.00 32.44 O ATOM 307 CB LEU A 21 -8.152 -8.881 -3.195 1.00 4.02 C ATOM 308 CG LEU A 21 -7.458 -7.893 -4.133 1.00 34.23 C ATOM 309 CD1 LEU A 21 -8.469 -7.234 -5.059 1.00 70.24 C ATOM 310 CD2 LEU A 21 -6.700 -6.842 -3.335 1.00 33.31 C ATOM 0 H LEU A 21 -6.175 -10.260 -3.723 1.00 21.00 H new ATOM 0 HA LEU A 21 -6.893 -8.712 -1.461 1.00 50.34 H new ATOM 0 HB2 LEU A 21 -8.576 -9.685 -3.796 1.00 4.02 H new ATOM 0 HB3 LEU A 21 -8.986 -8.370 -2.714 1.00 4.02 H new ATOM 0 HG LEU A 21 -6.742 -8.444 -4.743 1.00 34.23 H new ATOM 0 HD11 LEU A 21 -7.956 -6.534 -5.719 1.00 70.24 H new ATOM 0 HD12 LEU A 21 -8.967 -7.998 -5.656 1.00 70.24 H new ATOM 0 HD13 LEU A 21 -9.210 -6.697 -4.466 1.00 70.24 H new ATOM 0 HD21 LEU A 21 -6.212 -6.147 -4.019 1.00 33.31 H new ATOM 0 HD22 LEU A 21 -7.396 -6.296 -2.699 1.00 33.31 H new ATOM 0 HD23 LEU A 21 -5.947 -7.329 -2.715 1.00 33.31 H new ATOM 322 N ARG A 22 -8.382 -11.639 -1.804 1.00 73.31 N ATOM 323 CA ARG A 22 -9.164 -12.645 -1.096 1.00 63.05 C ATOM 324 C ARG A 22 -8.278 -13.799 -0.636 1.00 23.32 C ATOM 325 O ARG A 22 -7.173 -14.004 -1.139 1.00 2.11 O ATOM 326 CB ARG A 22 -10.286 -13.174 -1.992 1.00 60.42 C ATOM 327 CG ARG A 22 -11.637 -12.532 -1.720 1.00 34.04 C ATOM 328 CD ARG A 22 -12.443 -12.370 -2.999 1.00 14.45 C ATOM 329 NE ARG A 22 -13.707 -11.676 -2.767 1.00 53.25 N ATOM 330 CZ ARG A 22 -13.801 -10.364 -2.586 1.00 44.30 C ATOM 331 NH1 ARG A 22 -12.713 -9.606 -2.614 1.00 45.14 N ATOM 332 NH2 ARG A 22 -14.987 -9.805 -2.379 1.00 3.01 N ATOM 0 H ARG A 22 -8.077 -11.921 -2.736 1.00 73.31 H new ATOM 0 HA ARG A 22 -9.603 -12.174 -0.216 1.00 63.05 H new ATOM 0 HB2 ARG A 22 -10.017 -13.006 -3.035 1.00 60.42 H new ATOM 0 HB3 ARG A 22 -10.371 -14.252 -1.855 1.00 60.42 H new ATOM 0 HG2 ARG A 22 -12.196 -13.143 -1.011 1.00 34.04 H new ATOM 0 HG3 ARG A 22 -11.491 -11.557 -1.254 1.00 34.04 H new ATOM 0 HD2 ARG A 22 -11.854 -11.816 -3.730 1.00 14.45 H new ATOM 0 HD3 ARG A 22 -12.642 -13.352 -3.428 1.00 14.45 H new ATOM 0 HE ARG A 22 -14.564 -12.229 -2.743 1.00 53.25 H new ATOM 0 HH11 ARG A 22 -11.800 -10.031 -2.775 1.00 45.14 H new ATOM 0 HH12 ARG A 22 -12.790 -8.598 -2.475 1.00 45.14 H new ATOM 0 HH21 ARG A 22 -15.827 -10.383 -2.359 1.00 3.01 H new ATOM 0 HH22 ARG A 22 -15.058 -8.797 -2.240 1.00 3.01 H new ATOM 346 N PRO A 23 -8.772 -14.572 0.342 1.00 62.40 N ATOM 347 CA PRO A 23 -8.042 -15.718 0.891 1.00 22.03 C ATOM 348 C PRO A 23 -7.942 -16.871 -0.102 1.00 32.44 C ATOM 349 O PRO A 23 -6.866 -17.429 -0.314 1.00 55.13 O ATOM 350 CB PRO A 23 -8.884 -16.128 2.102 1.00 71.32 C ATOM 351 CG PRO A 23 -10.258 -15.647 1.789 1.00 23.00 C ATOM 352 CD PRO A 23 -10.083 -14.386 0.988 1.00 61.12 C ATOM 0 HA PRO A 23 -7.011 -15.464 1.137 1.00 22.03 H new ATOM 0 HB2 PRO A 23 -8.867 -17.208 2.249 1.00 71.32 H new ATOM 0 HB3 PRO A 23 -8.506 -15.676 3.019 1.00 71.32 H new ATOM 0 HG2 PRO A 23 -10.814 -16.395 1.223 1.00 23.00 H new ATOM 0 HG3 PRO A 23 -10.821 -15.454 2.702 1.00 23.00 H new ATOM 0 HD2 PRO A 23 -10.879 -14.263 0.254 1.00 61.12 H new ATOM 0 HD3 PRO A 23 -10.096 -13.501 1.624 1.00 61.12 H new ATOM 360 N GLY A 24 -9.071 -17.223 -0.711 1.00 14.50 N ATOM 361 CA GLY A 24 -9.087 -18.306 -1.675 1.00 1.03 C ATOM 362 C GLY A 24 -9.337 -17.820 -3.090 1.00 32.30 C ATOM 363 O GLY A 24 -9.844 -18.564 -3.928 1.00 3.01 O ATOM 0 H GLY A 24 -9.974 -16.777 -0.553 1.00 14.50 H new ATOM 0 HA2 GLY A 24 -8.134 -18.835 -1.639 1.00 1.03 H new ATOM 0 HA3 GLY A 24 -9.860 -19.023 -1.399 1.00 1.03 H new ATOM 367 N GLY A 25 -8.979 -16.568 -3.355 1.00 1.21 N ATOM 368 CA GLY A 25 -9.177 -16.004 -4.679 1.00 64.25 C ATOM 369 C GLY A 25 -7.879 -15.862 -5.447 1.00 12.53 C ATOM 370 O GLY A 25 -6.848 -16.401 -5.047 1.00 71.35 O ATOM 0 H GLY A 25 -8.556 -15.934 -2.678 1.00 1.21 H new ATOM 0 HA2 GLY A 25 -9.862 -16.638 -5.242 1.00 64.25 H new ATOM 0 HA3 GLY A 25 -9.650 -15.026 -4.587 1.00 64.25 H new ATOM 374 N LYS A 26 -7.927 -15.132 -6.557 1.00 4.21 N ATOM 375 CA LYS A 26 -6.747 -14.918 -7.385 1.00 22.43 C ATOM 376 C LYS A 26 -6.477 -13.429 -7.576 1.00 43.51 C ATOM 377 O LYS A 26 -5.533 -13.041 -8.263 1.00 10.24 O ATOM 378 CB LYS A 26 -6.926 -15.593 -8.748 1.00 41.33 C ATOM 379 CG LYS A 26 -5.617 -16.003 -9.399 1.00 74.41 C ATOM 380 CD LYS A 26 -4.973 -17.172 -8.671 1.00 24.14 C ATOM 381 CE LYS A 26 -4.783 -18.367 -9.593 1.00 3.13 C ATOM 382 NZ LYS A 26 -4.191 -19.531 -8.879 1.00 75.10 N ATOM 0 H LYS A 26 -8.772 -14.678 -6.904 1.00 4.21 H new ATOM 0 HA LYS A 26 -5.892 -15.361 -6.875 1.00 22.43 H new ATOM 0 HB2 LYS A 26 -7.554 -16.475 -8.627 1.00 41.33 H new ATOM 0 HB3 LYS A 26 -7.456 -14.913 -9.414 1.00 41.33 H new ATOM 0 HG2 LYS A 26 -5.797 -16.276 -10.439 1.00 74.41 H new ATOM 0 HG3 LYS A 26 -4.932 -15.155 -9.405 1.00 74.41 H new ATOM 0 HD2 LYS A 26 -4.008 -16.864 -8.269 1.00 24.14 H new ATOM 0 HD3 LYS A 26 -5.594 -17.461 -7.823 1.00 24.14 H new ATOM 0 HE2 LYS A 26 -5.745 -18.653 -10.019 1.00 3.13 H new ATOM 0 HE3 LYS A 26 -4.137 -18.085 -10.425 1.00 3.13 H new ATOM 0 HZ1 LYS A 26 -4.078 -20.324 -9.542 1.00 75.10 H new ATOM 0 HZ2 LYS A 26 -3.262 -19.266 -8.494 1.00 75.10 H new ATOM 0 HZ3 LYS A 26 -4.819 -19.817 -8.101 1.00 75.10 H new ATOM 396 N LYS A 27 -7.312 -12.598 -6.960 1.00 64.22 N ATOM 397 CA LYS A 27 -7.164 -11.152 -7.059 1.00 52.42 C ATOM 398 C LYS A 27 -5.997 -10.665 -6.204 1.00 44.15 C ATOM 399 O LYS A 27 -5.673 -11.267 -5.181 1.00 75.24 O ATOM 400 CB LYS A 27 -8.455 -10.454 -6.624 1.00 75.02 C ATOM 401 CG LYS A 27 -9.590 -10.598 -7.622 1.00 71.12 C ATOM 402 CD LYS A 27 -10.938 -10.684 -6.926 1.00 52.40 C ATOM 403 CE LYS A 27 -11.907 -9.638 -7.457 1.00 71.21 C ATOM 404 NZ LYS A 27 -11.705 -8.314 -6.807 1.00 74.11 N ATOM 0 H LYS A 27 -8.099 -12.903 -6.387 1.00 64.22 H new ATOM 0 HA LYS A 27 -6.958 -10.904 -8.100 1.00 52.42 H new ATOM 0 HB2 LYS A 27 -8.773 -10.861 -5.664 1.00 75.02 H new ATOM 0 HB3 LYS A 27 -8.251 -9.395 -6.469 1.00 75.02 H new ATOM 0 HG2 LYS A 27 -9.586 -9.748 -8.304 1.00 71.12 H new ATOM 0 HG3 LYS A 27 -9.434 -11.492 -8.226 1.00 71.12 H new ATOM 0 HD2 LYS A 27 -11.360 -11.679 -7.070 1.00 52.40 H new ATOM 0 HD3 LYS A 27 -10.804 -10.546 -5.853 1.00 52.40 H new ATOM 0 HE2 LYS A 27 -11.778 -9.537 -8.535 1.00 71.21 H new ATOM 0 HE3 LYS A 27 -12.931 -9.973 -7.289 1.00 71.21 H new ATOM 0 HZ1 LYS A 27 -12.384 -7.629 -7.196 1.00 74.11 H new ATOM 0 HZ2 LYS A 27 -11.853 -8.404 -5.782 1.00 74.11 H new ATOM 0 HZ3 LYS A 27 -10.736 -7.982 -6.989 1.00 74.11 H new ATOM 418 N GLN A 28 -5.374 -9.571 -6.629 1.00 14.20 N ATOM 419 CA GLN A 28 -4.245 -9.004 -5.901 1.00 74.41 C ATOM 420 C GLN A 28 -4.324 -7.482 -5.873 1.00 40.41 C ATOM 421 O GLN A 28 -5.309 -6.893 -6.319 1.00 50.21 O ATOM 422 CB GLN A 28 -2.926 -9.447 -6.538 1.00 40.54 C ATOM 423 CG GLN A 28 -2.643 -10.931 -6.381 1.00 74.41 C ATOM 424 CD GLN A 28 -2.173 -11.576 -7.670 1.00 32.14 C ATOM 425 OE1 GLN A 28 -0.903 -11.378 -8.003 1.00 13.34 O flip ATOM 426 NE2 GLN A 28 -2.944 -12.245 -8.360 1.00 4.11 N flip ATOM 0 H GLN A 28 -5.632 -9.060 -7.473 1.00 14.20 H new ATOM 0 HA GLN A 28 -4.286 -9.370 -4.875 1.00 74.41 H new ATOM 0 HB2 GLN A 28 -2.944 -9.199 -7.599 1.00 40.54 H new ATOM 0 HB3 GLN A 28 -2.108 -8.881 -6.092 1.00 40.54 H new ATOM 0 HG2 GLN A 28 -1.885 -11.073 -5.611 1.00 74.41 H new ATOM 0 HG3 GLN A 28 -3.546 -11.434 -6.036 1.00 74.41 H new ATOM 0 HE21 GLN A 28 -3.912 -12.371 -8.066 1.00 4.11 H new ATOM 0 HE22 GLN A 28 -2.614 -12.672 -9.225 1.00 4.11 H new ATOM 435 N TYR A 29 -3.281 -6.850 -5.346 1.00 4.23 N ATOM 436 CA TYR A 29 -3.235 -5.395 -5.257 1.00 33.24 C ATOM 437 C TYR A 29 -2.438 -4.804 -6.417 1.00 5.15 C ATOM 438 O TYR A 29 -1.559 -5.456 -6.979 1.00 72.53 O ATOM 439 CB TYR A 29 -2.614 -4.964 -3.927 1.00 23.03 C ATOM 440 CG TYR A 29 -3.551 -5.104 -2.749 1.00 11.40 C ATOM 441 CD1 TYR A 29 -4.400 -4.065 -2.385 1.00 40.35 C ATOM 442 CD2 TYR A 29 -3.588 -6.272 -1.999 1.00 63.20 C ATOM 443 CE1 TYR A 29 -5.258 -4.187 -1.308 1.00 35.34 C ATOM 444 CE2 TYR A 29 -4.443 -6.405 -0.922 1.00 20.13 C ATOM 445 CZ TYR A 29 -5.276 -5.359 -0.581 1.00 74.51 C ATOM 446 OH TYR A 29 -6.128 -5.487 0.493 1.00 10.05 O ATOM 0 H TYR A 29 -2.457 -7.322 -4.974 1.00 4.23 H new ATOM 0 HA TYR A 29 -4.257 -5.020 -5.312 1.00 33.24 H new ATOM 0 HB2 TYR A 29 -1.720 -5.560 -3.743 1.00 23.03 H new ATOM 0 HB3 TYR A 29 -2.294 -3.925 -4.005 1.00 23.03 H new ATOM 0 HD1 TYR A 29 -4.389 -3.147 -2.953 1.00 40.35 H new ATOM 0 HD2 TYR A 29 -2.936 -7.092 -2.263 1.00 63.20 H new ATOM 0 HE1 TYR A 29 -5.910 -3.370 -1.038 1.00 35.34 H new ATOM 0 HE2 TYR A 29 -4.459 -7.321 -0.351 1.00 20.13 H new ATOM 0 HH TYR A 29 -6.312 -6.436 0.654 1.00 10.05 H new ATOM 456 N LYS A 30 -2.755 -3.563 -6.772 1.00 74.15 N ATOM 457 CA LYS A 30 -2.070 -2.879 -7.862 1.00 22.54 C ATOM 458 C LYS A 30 -1.839 -1.410 -7.524 1.00 22.32 C ATOM 459 O LYS A 30 -2.350 -0.904 -6.524 1.00 25.54 O ATOM 460 CB LYS A 30 -2.883 -2.996 -9.154 1.00 44.43 C ATOM 461 CG LYS A 30 -2.323 -4.008 -10.137 1.00 61.11 C ATOM 462 CD LYS A 30 -3.406 -4.555 -11.052 1.00 23.52 C ATOM 463 CE LYS A 30 -4.231 -5.629 -10.360 1.00 0.20 C ATOM 464 NZ LYS A 30 -5.683 -5.297 -10.356 1.00 13.21 N ATOM 0 H LYS A 30 -3.483 -3.010 -6.320 1.00 74.15 H new ATOM 0 HA LYS A 30 -1.100 -3.356 -8.005 1.00 22.54 H new ATOM 0 HB2 LYS A 30 -3.907 -3.273 -8.905 1.00 44.43 H new ATOM 0 HB3 LYS A 30 -2.925 -2.019 -9.636 1.00 44.43 H new ATOM 0 HG2 LYS A 30 -1.541 -3.541 -10.736 1.00 61.11 H new ATOM 0 HG3 LYS A 30 -1.858 -4.829 -9.591 1.00 61.11 H new ATOM 0 HD2 LYS A 30 -4.059 -3.742 -11.371 1.00 23.52 H new ATOM 0 HD3 LYS A 30 -2.949 -4.969 -11.951 1.00 23.52 H new ATOM 0 HE2 LYS A 30 -4.078 -6.584 -10.862 1.00 0.20 H new ATOM 0 HE3 LYS A 30 -3.883 -5.749 -9.334 1.00 0.20 H new ATOM 0 HZ1 LYS A 30 -6.211 -6.053 -9.875 1.00 13.21 H new ATOM 0 HZ2 LYS A 30 -5.832 -4.398 -9.854 1.00 13.21 H new ATOM 0 HZ3 LYS A 30 -6.021 -5.207 -11.335 1.00 13.21 H new ATOM 478 N LEU A 31 -1.067 -0.729 -8.365 1.00 61.33 N ATOM 479 CA LEU A 31 -0.769 0.684 -8.156 1.00 64.41 C ATOM 480 C LEU A 31 -2.051 1.486 -7.952 1.00 73.12 C ATOM 481 O LEU A 31 -2.077 2.451 -7.189 1.00 74.11 O ATOM 482 CB LEU A 31 0.012 1.242 -9.347 1.00 65.25 C ATOM 483 CG LEU A 31 1.449 0.741 -9.501 1.00 43.35 C ATOM 484 CD1 LEU A 31 1.981 1.067 -10.887 1.00 11.32 C ATOM 485 CD2 LEU A 31 2.342 1.349 -8.428 1.00 32.12 C ATOM 0 H LEU A 31 -0.637 -1.132 -9.197 1.00 61.33 H new ATOM 0 HA LEU A 31 -0.160 0.773 -7.257 1.00 64.41 H new ATOM 0 HB2 LEU A 31 -0.535 1.002 -10.259 1.00 65.25 H new ATOM 0 HB3 LEU A 31 0.034 2.329 -9.265 1.00 65.25 H new ATOM 0 HG LEU A 31 1.452 -0.342 -9.378 1.00 43.35 H new ATOM 0 HD11 LEU A 31 3.004 0.703 -10.979 1.00 11.32 H new ATOM 0 HD12 LEU A 31 1.356 0.586 -11.639 1.00 11.32 H new ATOM 0 HD13 LEU A 31 1.965 2.146 -11.038 1.00 11.32 H new ATOM 0 HD21 LEU A 31 3.361 0.982 -8.552 1.00 32.12 H new ATOM 0 HD22 LEU A 31 2.334 2.435 -8.520 1.00 32.12 H new ATOM 0 HD23 LEU A 31 1.972 1.066 -7.443 1.00 32.12 H new ATOM 497 N LYS A 32 -3.112 1.078 -8.639 1.00 4.43 N ATOM 498 CA LYS A 32 -4.399 1.756 -8.532 1.00 10.40 C ATOM 499 C LYS A 32 -4.748 2.033 -7.073 1.00 43.00 C ATOM 500 O LYS A 32 -5.273 3.096 -6.741 1.00 14.41 O ATOM 501 CB LYS A 32 -5.499 0.912 -9.179 1.00 74.22 C ATOM 502 CG LYS A 32 -6.484 1.724 -10.002 1.00 62.54 C ATOM 503 CD LYS A 32 -7.352 0.831 -10.873 1.00 71.12 C ATOM 504 CE LYS A 32 -8.832 1.067 -10.614 1.00 43.33 C ATOM 505 NZ LYS A 32 -9.619 -0.193 -10.709 1.00 24.44 N ATOM 0 H LYS A 32 -3.107 0.281 -9.276 1.00 4.43 H new ATOM 0 HA LYS A 32 -4.324 2.708 -9.057 1.00 10.40 H new ATOM 0 HB2 LYS A 32 -5.039 0.159 -9.818 1.00 74.22 H new ATOM 0 HB3 LYS A 32 -6.043 0.379 -8.399 1.00 74.22 H new ATOM 0 HG2 LYS A 32 -7.117 2.312 -9.337 1.00 62.54 H new ATOM 0 HG3 LYS A 32 -5.940 2.429 -10.631 1.00 62.54 H new ATOM 0 HD2 LYS A 32 -7.131 1.020 -11.923 1.00 71.12 H new ATOM 0 HD3 LYS A 32 -7.110 -0.214 -10.679 1.00 71.12 H new ATOM 0 HE2 LYS A 32 -8.962 1.503 -9.623 1.00 43.33 H new ATOM 0 HE3 LYS A 32 -9.216 1.790 -11.334 1.00 43.33 H new ATOM 0 HZ1 LYS A 32 -10.623 0.010 -10.526 1.00 24.44 H new ATOM 0 HZ2 LYS A 32 -9.515 -0.596 -11.662 1.00 24.44 H new ATOM 0 HZ3 LYS A 32 -9.270 -0.874 -10.005 1.00 24.44 H new ATOM 519 N HIS A 33 -4.454 1.070 -6.205 1.00 11.53 N ATOM 520 CA HIS A 33 -4.735 1.212 -4.780 1.00 21.54 C ATOM 521 C HIS A 33 -3.766 2.196 -4.132 1.00 23.51 C ATOM 522 O HIS A 33 -4.247 3.061 -3.399 1.00 11.44 O ATOM 523 CB HIS A 33 -4.642 -0.147 -4.084 1.00 44.52 C ATOM 524 CG HIS A 33 -5.534 -1.190 -4.685 1.00 64.14 C ATOM 525 ND1 HIS A 33 -5.056 -2.281 -5.377 1.00 33.42 N ATOM 526 CD2 HIS A 33 -6.883 -1.304 -4.692 1.00 65.13 C ATOM 527 CE1 HIS A 33 -6.071 -3.021 -5.785 1.00 34.44 C ATOM 528 NE2 HIS A 33 -7.192 -2.450 -5.381 1.00 11.22 N ATOM 0 H HIS A 33 -4.021 0.183 -6.463 1.00 11.53 H new ATOM 0 HA HIS A 33 -5.748 1.600 -4.670 1.00 21.54 H new ATOM 0 HB2 HIS A 33 -3.610 -0.496 -4.124 1.00 44.52 H new ATOM 0 HB3 HIS A 33 -4.897 -0.025 -3.031 1.00 44.52 H new ATOM 0 HD2 HIS A 33 -7.586 -0.620 -4.239 1.00 65.13 H new ATOM 0 HE1 HIS A 33 -5.997 -3.937 -6.352 1.00 34.44 H new ATOM 0 HE2 HIS A 33 -8.133 -2.803 -5.553 1.00 11.22 H new ATOM 536 N ILE A 34 -2.464 2.091 -4.372 1.00 41.14 N ATOM 537 CA ILE A 34 -1.502 3.010 -3.775 1.00 62.10 C ATOM 538 C ILE A 34 -1.899 4.460 -4.026 1.00 13.40 C ATOM 539 O ILE A 34 -1.703 5.325 -3.171 1.00 2.44 O ATOM 540 CB ILE A 34 -0.083 2.775 -4.326 1.00 30.04 C ATOM 541 CG1 ILE A 34 0.456 1.425 -3.847 1.00 11.11 C ATOM 542 CG2 ILE A 34 0.845 3.903 -3.900 1.00 4.00 C ATOM 543 CD1 ILE A 34 1.045 0.581 -4.957 1.00 41.23 C ATOM 0 H ILE A 34 -2.051 1.380 -4.975 1.00 41.14 H new ATOM 0 HA ILE A 34 -1.503 2.816 -2.702 1.00 62.10 H new ATOM 0 HB ILE A 34 -0.130 2.761 -5.415 1.00 30.04 H new ATOM 0 HG12 ILE A 34 1.219 1.596 -3.088 1.00 11.11 H new ATOM 0 HG13 ILE A 34 -0.351 0.870 -3.368 1.00 11.11 H new ATOM 0 HG21 ILE A 34 1.844 3.722 -4.297 1.00 4.00 H new ATOM 0 HG22 ILE A 34 0.467 4.850 -4.285 1.00 4.00 H new ATOM 0 HG23 ILE A 34 0.890 3.946 -2.812 1.00 4.00 H new ATOM 0 HD11 ILE A 34 1.407 -0.361 -4.545 1.00 41.23 H new ATOM 0 HD12 ILE A 34 0.279 0.379 -5.706 1.00 41.23 H new ATOM 0 HD13 ILE A 34 1.873 1.116 -5.421 1.00 41.23 H new ATOM 555 N VAL A 35 -2.457 4.721 -5.204 1.00 64.34 N ATOM 556 CA VAL A 35 -2.886 6.067 -5.566 1.00 73.33 C ATOM 557 C VAL A 35 -4.114 6.487 -4.767 1.00 34.43 C ATOM 558 O VAL A 35 -4.107 7.520 -4.098 1.00 2.24 O ATOM 559 CB VAL A 35 -3.205 6.168 -7.070 1.00 74.45 C ATOM 560 CG1 VAL A 35 -3.684 7.568 -7.421 1.00 41.35 C ATOM 561 CG2 VAL A 35 -1.988 5.788 -7.899 1.00 21.42 C ATOM 0 H VAL A 35 -2.623 4.018 -5.924 1.00 64.34 H new ATOM 0 HA VAL A 35 -2.059 6.737 -5.332 1.00 73.33 H new ATOM 0 HB VAL A 35 -4.007 5.467 -7.302 1.00 74.45 H new ATOM 0 HG11 VAL A 35 -3.904 7.620 -8.487 1.00 41.35 H new ATOM 0 HG12 VAL A 35 -4.585 7.797 -6.852 1.00 41.35 H new ATOM 0 HG13 VAL A 35 -2.906 8.291 -7.175 1.00 41.35 H new ATOM 0 HG21 VAL A 35 -2.231 5.865 -8.959 1.00 21.42 H new ATOM 0 HG22 VAL A 35 -1.164 6.462 -7.666 1.00 21.42 H new ATOM 0 HG23 VAL A 35 -1.695 4.764 -7.667 1.00 21.42 H new ATOM 571 N TRP A 36 -5.165 5.679 -4.841 1.00 51.50 N ATOM 572 CA TRP A 36 -6.402 5.968 -4.123 1.00 23.01 C ATOM 573 C TRP A 36 -6.147 6.083 -2.624 1.00 62.51 C ATOM 574 O TRP A 36 -6.740 6.922 -1.948 1.00 10.21 O ATOM 575 CB TRP A 36 -7.440 4.877 -4.395 1.00 75.03 C ATOM 576 CG TRP A 36 -8.693 5.034 -3.588 1.00 53.44 C ATOM 577 CD1 TRP A 36 -9.846 5.651 -3.978 1.00 2.42 C ATOM 578 CD2 TRP A 36 -8.916 4.569 -2.252 1.00 13.41 C ATOM 579 NE1 TRP A 36 -10.774 5.597 -2.965 1.00 1.13 N ATOM 580 CE2 TRP A 36 -10.228 4.939 -1.896 1.00 75.32 C ATOM 581 CE3 TRP A 36 -8.135 3.876 -1.323 1.00 61.10 C ATOM 582 CZ2 TRP A 36 -10.773 4.637 -0.651 1.00 31.44 C ATOM 583 CZ3 TRP A 36 -8.678 3.578 -0.087 1.00 0.03 C ATOM 584 CH2 TRP A 36 -9.987 3.957 0.239 1.00 63.22 C ATOM 0 H TRP A 36 -5.186 4.820 -5.390 1.00 51.50 H new ATOM 0 HA TRP A 36 -6.787 6.923 -4.481 1.00 23.01 H new ATOM 0 HB2 TRP A 36 -7.696 4.885 -5.455 1.00 75.03 H new ATOM 0 HB3 TRP A 36 -6.998 3.904 -4.181 1.00 75.03 H new ATOM 0 HD1 TRP A 36 -10.006 6.114 -4.941 1.00 2.42 H new ATOM 0 HE1 TRP A 36 -11.717 5.985 -3.004 1.00 1.13 H new ATOM 0 HE3 TRP A 36 -7.126 3.579 -1.566 1.00 61.10 H new ATOM 0 HZ2 TRP A 36 -11.781 4.929 -0.397 1.00 31.44 H new ATOM 0 HZ3 TRP A 36 -8.083 3.044 0.639 1.00 0.03 H new ATOM 0 HH2 TRP A 36 -10.383 3.707 1.212 1.00 63.22 H new ATOM 595 N ALA A 37 -5.263 5.234 -2.112 1.00 63.03 N ATOM 596 CA ALA A 37 -4.929 5.242 -0.693 1.00 52.33 C ATOM 597 C ALA A 37 -4.238 6.543 -0.299 1.00 10.23 C ATOM 598 O ALA A 37 -4.689 7.248 0.603 1.00 52.53 O ATOM 599 CB ALA A 37 -4.048 4.050 -0.351 1.00 4.41 C ATOM 0 H ALA A 37 -4.765 4.532 -2.659 1.00 63.03 H new ATOM 0 HA ALA A 37 -5.857 5.168 -0.126 1.00 52.33 H new ATOM 0 HB1 ALA A 37 -3.807 4.069 0.712 1.00 4.41 H new ATOM 0 HB2 ALA A 37 -4.578 3.127 -0.586 1.00 4.41 H new ATOM 0 HB3 ALA A 37 -3.128 4.099 -0.933 1.00 4.41 H new ATOM 605 N SER A 38 -3.141 6.855 -0.983 1.00 74.04 N ATOM 606 CA SER A 38 -2.385 8.070 -0.701 1.00 70.32 C ATOM 607 C SER A 38 -3.259 9.308 -0.879 1.00 73.01 C ATOM 608 O SER A 38 -3.090 10.305 -0.178 1.00 13.51 O ATOM 609 CB SER A 38 -1.163 8.159 -1.617 1.00 72.20 C ATOM 610 OG SER A 38 -0.354 7.001 -1.503 1.00 51.14 O ATOM 0 H SER A 38 -2.757 6.284 -1.735 1.00 74.04 H new ATOM 0 HA SER A 38 -2.051 8.028 0.336 1.00 70.32 H new ATOM 0 HB2 SER A 38 -1.488 8.279 -2.651 1.00 72.20 H new ATOM 0 HB3 SER A 38 -0.577 9.042 -1.362 1.00 72.20 H new ATOM 0 HG SER A 38 -0.706 6.297 -2.087 1.00 51.14 H new ATOM 616 N ARG A 39 -4.194 9.234 -1.821 1.00 14.31 N ATOM 617 CA ARG A 39 -5.094 10.348 -2.092 1.00 15.21 C ATOM 618 C ARG A 39 -6.155 10.468 -1.003 1.00 43.15 C ATOM 619 O ARG A 39 -6.331 11.531 -0.409 1.00 53.01 O ATOM 620 CB ARG A 39 -5.766 10.167 -3.455 1.00 12.42 C ATOM 621 CG ARG A 39 -4.889 10.582 -4.626 1.00 41.35 C ATOM 622 CD ARG A 39 -4.965 12.080 -4.876 1.00 11.13 C ATOM 623 NE ARG A 39 -5.356 12.386 -6.250 1.00 60.23 N ATOM 624 CZ ARG A 39 -4.544 12.251 -7.292 1.00 60.41 C ATOM 625 NH1 ARG A 39 -3.304 11.816 -7.118 1.00 12.33 N ATOM 626 NH2 ARG A 39 -4.973 12.549 -8.512 1.00 2.41 N ATOM 0 H ARG A 39 -4.348 8.415 -2.409 1.00 14.31 H new ATOM 0 HA ARG A 39 -4.504 11.265 -2.103 1.00 15.21 H new ATOM 0 HB2 ARG A 39 -6.048 9.121 -3.576 1.00 12.42 H new ATOM 0 HB3 ARG A 39 -6.687 10.750 -3.477 1.00 12.42 H new ATOM 0 HG2 ARG A 39 -3.856 10.297 -4.427 1.00 41.35 H new ATOM 0 HG3 ARG A 39 -5.200 10.046 -5.523 1.00 41.35 H new ATOM 0 HD2 ARG A 39 -5.682 12.527 -4.187 1.00 11.13 H new ATOM 0 HD3 ARG A 39 -3.996 12.532 -4.665 1.00 11.13 H new ATOM 0 HE ARG A 39 -6.304 12.722 -6.418 1.00 60.23 H new ATOM 0 HH11 ARG A 39 -2.972 11.584 -6.182 1.00 12.33 H new ATOM 0 HH12 ARG A 39 -2.682 11.713 -7.920 1.00 12.33 H new ATOM 0 HH21 ARG A 39 -5.927 12.882 -8.650 1.00 2.41 H new ATOM 0 HH22 ARG A 39 -4.349 12.445 -9.312 1.00 2.41 H new ATOM 640 N GLU A 40 -6.858 9.369 -0.746 1.00 44.24 N ATOM 641 CA GLU A 40 -7.903 9.353 0.272 1.00 63.54 C ATOM 642 C GLU A 40 -7.392 9.938 1.586 1.00 32.10 C ATOM 643 O GLU A 40 -8.060 10.761 2.213 1.00 55.35 O ATOM 644 CB GLU A 40 -8.404 7.924 0.498 1.00 53.30 C ATOM 645 CG GLU A 40 -9.848 7.852 0.963 1.00 4.31 C ATOM 646 CD GLU A 40 -10.836 8.116 -0.157 1.00 53.43 C ATOM 647 OE1 GLU A 40 -10.498 8.893 -1.075 1.00 1.01 O ATOM 648 OE2 GLU A 40 -11.946 7.545 -0.116 1.00 71.05 O ATOM 0 H GLU A 40 -6.723 8.480 -1.227 1.00 44.24 H new ATOM 0 HA GLU A 40 -8.730 9.969 -0.083 1.00 63.54 H new ATOM 0 HB2 GLU A 40 -8.301 7.361 -0.430 1.00 53.30 H new ATOM 0 HB3 GLU A 40 -7.768 7.438 1.238 1.00 53.30 H new ATOM 0 HG2 GLU A 40 -10.040 6.867 1.387 1.00 4.31 H new ATOM 0 HG3 GLU A 40 -10.006 8.578 1.760 1.00 4.31 H new ATOM 655 N LEU A 41 -6.204 9.507 1.996 1.00 34.01 N ATOM 656 CA LEU A 41 -5.602 9.986 3.235 1.00 14.24 C ATOM 657 C LEU A 41 -5.591 11.512 3.281 1.00 32.55 C ATOM 658 O LEU A 41 -5.735 12.110 4.345 1.00 40.44 O ATOM 659 CB LEU A 41 -4.176 9.451 3.374 1.00 32.43 C ATOM 660 CG LEU A 41 -4.048 7.985 3.789 1.00 54.34 C ATOM 661 CD1 LEU A 41 -2.598 7.530 3.701 1.00 5.02 C ATOM 662 CD2 LEU A 41 -4.587 7.782 5.198 1.00 75.41 C ATOM 0 H LEU A 41 -5.639 8.827 1.488 1.00 34.01 H new ATOM 0 HA LEU A 41 -6.203 9.619 4.067 1.00 14.24 H new ATOM 0 HB2 LEU A 41 -3.665 9.584 2.421 1.00 32.43 H new ATOM 0 HB3 LEU A 41 -3.649 10.063 4.106 1.00 32.43 H new ATOM 0 HG LEU A 41 -4.640 7.379 3.103 1.00 54.34 H new ATOM 0 HD11 LEU A 41 -2.526 6.484 4.000 1.00 5.02 H new ATOM 0 HD12 LEU A 41 -2.244 7.640 2.676 1.00 5.02 H new ATOM 0 HD13 LEU A 41 -1.984 8.140 4.364 1.00 5.02 H new ATOM 0 HD21 LEU A 41 -4.488 6.733 5.478 1.00 75.41 H new ATOM 0 HD22 LEU A 41 -4.021 8.399 5.896 1.00 75.41 H new ATOM 0 HD23 LEU A 41 -5.638 8.069 5.230 1.00 75.41 H new ATOM 674 N GLU A 42 -5.420 12.132 2.118 1.00 24.15 N ATOM 675 CA GLU A 42 -5.392 13.586 2.025 1.00 3.42 C ATOM 676 C GLU A 42 -6.783 14.174 2.255 1.00 34.22 C ATOM 677 O GLU A 42 -6.926 15.249 2.836 1.00 60.22 O ATOM 678 CB GLU A 42 -4.862 14.023 0.658 1.00 11.22 C ATOM 679 CG GLU A 42 -4.429 15.479 0.611 1.00 34.45 C ATOM 680 CD GLU A 42 -5.328 16.326 -0.270 1.00 73.21 C ATOM 681 OE1 GLU A 42 -5.214 16.220 -1.508 1.00 21.44 O ATOM 682 OE2 GLU A 42 -6.143 17.095 0.281 1.00 10.55 O ATOM 0 H GLU A 42 -5.299 11.650 1.227 1.00 24.15 H new ATOM 0 HA GLU A 42 -4.725 13.960 2.802 1.00 3.42 H new ATOM 0 HB2 GLU A 42 -4.016 13.392 0.387 1.00 11.22 H new ATOM 0 HB3 GLU A 42 -5.636 13.858 -0.092 1.00 11.22 H new ATOM 0 HG2 GLU A 42 -4.428 15.887 1.622 1.00 34.45 H new ATOM 0 HG3 GLU A 42 -3.405 15.538 0.242 1.00 34.45 H new ATOM 689 N ARG A 43 -7.803 13.459 1.792 1.00 23.34 N ATOM 690 CA ARG A 43 -9.182 13.909 1.944 1.00 35.24 C ATOM 691 C ARG A 43 -9.691 13.632 3.355 1.00 61.22 C ATOM 692 O ARG A 43 -10.460 14.413 3.913 1.00 45.24 O ATOM 693 CB ARG A 43 -10.083 13.216 0.920 1.00 14.33 C ATOM 694 CG ARG A 43 -11.547 13.605 1.036 1.00 21.25 C ATOM 695 CD ARG A 43 -12.349 13.117 -0.161 1.00 45.54 C ATOM 696 NE ARG A 43 -12.396 14.111 -1.230 1.00 3.11 N ATOM 697 CZ ARG A 43 -13.090 15.242 -1.153 1.00 52.43 C ATOM 698 NH1 ARG A 43 -13.791 15.521 -0.063 1.00 71.05 N ATOM 699 NH2 ARG A 43 -13.082 16.097 -2.168 1.00 21.23 N ATOM 0 H ARG A 43 -7.701 12.566 1.309 1.00 23.34 H new ATOM 0 HA ARG A 43 -9.208 14.985 1.771 1.00 35.24 H new ATOM 0 HB2 ARG A 43 -9.730 13.456 -0.083 1.00 14.33 H new ATOM 0 HB3 ARG A 43 -9.992 12.136 1.040 1.00 14.33 H new ATOM 0 HG2 ARG A 43 -11.965 13.185 1.951 1.00 21.25 H new ATOM 0 HG3 ARG A 43 -11.632 14.689 1.115 1.00 21.25 H new ATOM 0 HD2 ARG A 43 -11.908 12.196 -0.542 1.00 45.54 H new ATOM 0 HD3 ARG A 43 -13.364 12.877 0.156 1.00 45.54 H new ATOM 0 HE ARG A 43 -11.867 13.927 -2.083 1.00 3.11 H new ATOM 0 HH11 ARG A 43 -13.799 14.867 0.720 1.00 71.05 H new ATOM 0 HH12 ARG A 43 -14.323 16.390 -0.007 1.00 71.05 H new ATOM 0 HH21 ARG A 43 -12.543 15.886 -3.008 1.00 21.23 H new ATOM 0 HH22 ARG A 43 -13.615 16.965 -2.108 1.00 21.23 H new ATOM 713 N PHE A 44 -9.258 12.512 3.926 1.00 54.31 N ATOM 714 CA PHE A 44 -9.671 12.131 5.271 1.00 74.45 C ATOM 715 C PHE A 44 -9.114 13.103 6.308 1.00 65.34 C ATOM 716 O PHE A 44 -9.610 13.181 7.431 1.00 24.31 O ATOM 717 CB PHE A 44 -9.203 10.709 5.588 1.00 15.02 C ATOM 718 CG PHE A 44 -10.320 9.704 5.622 1.00 14.51 C ATOM 719 CD1 PHE A 44 -11.413 9.893 6.451 1.00 40.12 C ATOM 720 CD2 PHE A 44 -10.275 8.572 4.825 1.00 5.35 C ATOM 721 CE1 PHE A 44 -12.442 8.970 6.485 1.00 51.34 C ATOM 722 CE2 PHE A 44 -11.301 7.646 4.855 1.00 33.43 C ATOM 723 CZ PHE A 44 -12.386 7.846 5.685 1.00 12.21 C ATOM 0 H PHE A 44 -8.621 11.853 3.478 1.00 54.31 H new ATOM 0 HA PHE A 44 -10.760 12.167 5.312 1.00 74.45 H new ATOM 0 HB2 PHE A 44 -8.471 10.401 4.842 1.00 15.02 H new ATOM 0 HB3 PHE A 44 -8.695 10.709 6.552 1.00 15.02 H new ATOM 0 HD1 PHE A 44 -11.462 10.771 7.078 1.00 40.12 H new ATOM 0 HD2 PHE A 44 -9.429 8.411 4.173 1.00 5.35 H new ATOM 0 HE1 PHE A 44 -13.289 9.128 7.137 1.00 51.34 H new ATOM 0 HE2 PHE A 44 -11.254 6.767 4.230 1.00 33.43 H new ATOM 0 HZ PHE A 44 -13.189 7.125 5.708 1.00 12.21 H new ATOM 733 N ALA A 45 -8.080 13.842 5.921 1.00 55.15 N ATOM 734 CA ALA A 45 -7.457 14.811 6.815 1.00 75.34 C ATOM 735 C ALA A 45 -6.272 14.194 7.552 1.00 44.44 C ATOM 736 O ALA A 45 -5.750 14.775 8.503 1.00 72.44 O ATOM 737 CB ALA A 45 -8.477 15.347 7.807 1.00 70.34 C ATOM 0 H ALA A 45 -7.656 13.789 4.995 1.00 55.15 H new ATOM 0 HA ALA A 45 -7.085 15.639 6.211 1.00 75.34 H new ATOM 0 HB1 ALA A 45 -7.997 16.069 8.468 1.00 70.34 H new ATOM 0 HB2 ALA A 45 -9.289 15.833 7.267 1.00 70.34 H new ATOM 0 HB3 ALA A 45 -8.877 14.523 8.399 1.00 70.34 H new ATOM 743 N VAL A 46 -5.854 13.013 7.108 1.00 0.02 N ATOM 744 CA VAL A 46 -4.731 12.317 7.725 1.00 11.01 C ATOM 745 C VAL A 46 -3.485 12.403 6.852 1.00 72.52 C ATOM 746 O VAL A 46 -3.528 12.103 5.660 1.00 24.32 O ATOM 747 CB VAL A 46 -5.062 10.836 7.985 1.00 24.43 C ATOM 748 CG1 VAL A 46 -3.796 10.049 8.283 1.00 12.25 C ATOM 749 CG2 VAL A 46 -6.062 10.705 9.124 1.00 1.01 C ATOM 0 H VAL A 46 -6.277 12.518 6.323 1.00 0.02 H new ATOM 0 HA VAL A 46 -4.538 12.810 8.678 1.00 11.01 H new ATOM 0 HB VAL A 46 -5.515 10.421 7.085 1.00 24.43 H new ATOM 0 HG11 VAL A 46 -4.051 9.005 8.464 1.00 12.25 H new ATOM 0 HG12 VAL A 46 -3.118 10.115 7.432 1.00 12.25 H new ATOM 0 HG13 VAL A 46 -3.310 10.462 9.167 1.00 12.25 H new ATOM 0 HG21 VAL A 46 -6.284 9.651 9.294 1.00 1.01 H new ATOM 0 HG22 VAL A 46 -5.639 11.137 10.031 1.00 1.01 H new ATOM 0 HG23 VAL A 46 -6.980 11.232 8.865 1.00 1.01 H new ATOM 759 N ASN A 47 -2.373 12.813 7.455 1.00 45.10 N ATOM 760 CA ASN A 47 -1.113 12.939 6.731 1.00 62.44 C ATOM 761 C ASN A 47 -0.782 11.648 5.989 1.00 70.33 C ATOM 762 O ASN A 47 -0.707 10.567 6.575 1.00 24.45 O ATOM 763 CB ASN A 47 0.021 13.290 7.698 1.00 63.22 C ATOM 764 CG ASN A 47 0.236 14.786 7.815 1.00 55.23 C ATOM 765 OD1 ASN A 47 -0.718 15.555 7.933 1.00 54.10 O ATOM 766 ND2 ASN A 47 1.496 15.206 7.784 1.00 73.11 N ATOM 0 H ASN A 47 -2.319 13.063 8.442 1.00 45.10 H new ATOM 0 HA ASN A 47 -1.220 13.741 6.000 1.00 62.44 H new ATOM 0 HB2 ASN A 47 -0.204 12.880 8.682 1.00 63.22 H new ATOM 0 HB3 ASN A 47 0.943 12.818 7.359 1.00 63.22 H new ATOM 0 HD21 ASN A 47 1.704 16.202 7.859 1.00 73.11 H new ATOM 0 HD22 ASN A 47 2.256 14.533 7.685 1.00 73.11 H new ATOM 773 N PRO A 48 -0.576 11.760 4.668 1.00 43.21 N ATOM 774 CA PRO A 48 -0.248 10.613 3.818 1.00 32.02 C ATOM 775 C PRO A 48 1.152 10.072 4.088 1.00 51.10 C ATOM 776 O PRO A 48 1.531 9.020 3.576 1.00 4.22 O ATOM 777 CB PRO A 48 -0.335 11.186 2.401 1.00 23.21 C ATOM 778 CG PRO A 48 -0.077 12.644 2.565 1.00 32.24 C ATOM 779 CD PRO A 48 -0.649 13.017 3.904 1.00 53.34 C ATOM 0 HA PRO A 48 -0.917 9.771 3.995 1.00 32.02 H new ATOM 0 HB2 PRO A 48 0.401 10.725 1.742 1.00 23.21 H new ATOM 0 HB3 PRO A 48 -1.315 11.005 1.960 1.00 23.21 H new ATOM 0 HG2 PRO A 48 0.991 12.859 2.523 1.00 32.24 H new ATOM 0 HG3 PRO A 48 -0.549 13.216 1.766 1.00 32.24 H new ATOM 0 HD2 PRO A 48 -0.073 13.811 4.380 1.00 53.34 H new ATOM 0 HD3 PRO A 48 -1.675 13.376 3.817 1.00 53.34 H new ATOM 787 N GLY A 49 1.917 10.800 4.897 1.00 24.13 N ATOM 788 CA GLY A 49 3.266 10.376 5.221 1.00 13.42 C ATOM 789 C GLY A 49 3.290 9.166 6.132 1.00 73.43 C ATOM 790 O GLY A 49 4.358 8.644 6.457 1.00 13.20 O ATOM 0 H GLY A 49 1.626 11.675 5.333 1.00 24.13 H new ATOM 0 HA2 GLY A 49 3.802 10.144 4.300 1.00 13.42 H new ATOM 0 HA3 GLY A 49 3.797 11.198 5.700 1.00 13.42 H new ATOM 794 N LEU A 50 2.111 8.716 6.547 1.00 73.51 N ATOM 795 CA LEU A 50 2.001 7.558 7.428 1.00 54.33 C ATOM 796 C LEU A 50 2.141 6.259 6.641 1.00 11.42 C ATOM 797 O LEU A 50 2.099 5.168 7.210 1.00 43.22 O ATOM 798 CB LEU A 50 0.661 7.579 8.165 1.00 60.22 C ATOM 799 CG LEU A 50 0.346 8.854 8.949 1.00 70.35 C ATOM 800 CD1 LEU A 50 -1.111 8.867 9.384 1.00 22.13 C ATOM 801 CD2 LEU A 50 1.265 8.978 10.155 1.00 51.42 C ATOM 0 H LEU A 50 1.218 9.135 6.288 1.00 73.51 H new ATOM 0 HA LEU A 50 2.810 7.609 8.156 1.00 54.33 H new ATOM 0 HB2 LEU A 50 -0.134 7.418 7.437 1.00 60.22 H new ATOM 0 HB3 LEU A 50 0.636 6.736 8.856 1.00 60.22 H new ATOM 0 HG LEU A 50 0.517 9.710 8.297 1.00 70.35 H new ATOM 0 HD11 LEU A 50 -1.316 9.782 9.940 1.00 22.13 H new ATOM 0 HD12 LEU A 50 -1.754 8.825 8.505 1.00 22.13 H new ATOM 0 HD13 LEU A 50 -1.309 8.004 10.019 1.00 22.13 H new ATOM 0 HD21 LEU A 50 1.027 9.891 10.701 1.00 51.42 H new ATOM 0 HD22 LEU A 50 1.126 8.117 10.809 1.00 51.42 H new ATOM 0 HD23 LEU A 50 2.302 9.015 9.820 1.00 51.42 H new ATOM 813 N LEU A 51 2.311 6.384 5.329 1.00 73.03 N ATOM 814 CA LEU A 51 2.460 5.220 4.463 1.00 34.54 C ATOM 815 C LEU A 51 3.933 4.924 4.197 1.00 1.33 C ATOM 816 O LEU A 51 4.276 3.876 3.652 1.00 32.23 O ATOM 817 CB LEU A 51 1.726 5.446 3.140 1.00 72.42 C ATOM 818 CG LEU A 51 0.234 5.765 3.246 1.00 50.14 C ATOM 819 CD1 LEU A 51 -0.325 6.161 1.888 1.00 42.54 C ATOM 820 CD2 LEU A 51 -0.526 4.574 3.812 1.00 42.53 C ATOM 0 H LEU A 51 2.349 7.279 4.842 1.00 73.03 H new ATOM 0 HA LEU A 51 2.022 4.361 4.972 1.00 34.54 H new ATOM 0 HB2 LEU A 51 2.215 6.264 2.611 1.00 72.42 H new ATOM 0 HB3 LEU A 51 1.844 4.554 2.525 1.00 72.42 H new ATOM 0 HG LEU A 51 0.109 6.607 3.926 1.00 50.14 H new ATOM 0 HD11 LEU A 51 -1.388 6.384 1.983 1.00 42.54 H new ATOM 0 HD12 LEU A 51 0.200 7.043 1.522 1.00 42.54 H new ATOM 0 HD13 LEU A 51 -0.188 5.340 1.185 1.00 42.54 H new ATOM 0 HD21 LEU A 51 -1.586 4.818 3.881 1.00 42.53 H new ATOM 0 HD22 LEU A 51 -0.394 3.713 3.157 1.00 42.53 H new ATOM 0 HD23 LEU A 51 -0.143 4.337 4.805 1.00 42.53 H new ATOM 832 N GLU A 52 4.798 5.855 4.586 1.00 54.40 N ATOM 833 CA GLU A 52 6.234 5.693 4.391 1.00 0.23 C ATOM 834 C GLU A 52 6.922 5.313 5.699 1.00 4.14 C ATOM 835 O GLU A 52 7.956 5.879 6.057 1.00 23.31 O ATOM 836 CB GLU A 52 6.844 6.983 3.836 1.00 33.11 C ATOM 837 CG GLU A 52 6.540 8.211 4.677 1.00 43.31 C ATOM 838 CD GLU A 52 7.452 9.379 4.356 1.00 23.42 C ATOM 839 OE1 GLU A 52 7.724 9.608 3.158 1.00 65.21 O ATOM 840 OE2 GLU A 52 7.894 10.064 5.301 1.00 60.44 O ATOM 0 H GLU A 52 4.530 6.729 5.038 1.00 54.40 H new ATOM 0 HA GLU A 52 6.389 4.888 3.673 1.00 0.23 H new ATOM 0 HB2 GLU A 52 7.925 6.862 3.763 1.00 33.11 H new ATOM 0 HB3 GLU A 52 6.472 7.145 2.824 1.00 33.11 H new ATOM 0 HG2 GLU A 52 5.504 8.509 4.516 1.00 43.31 H new ATOM 0 HG3 GLU A 52 6.639 7.957 5.732 1.00 43.31 H new ATOM 847 N THR A 53 6.341 4.352 6.409 1.00 3.21 N ATOM 848 CA THR A 53 6.896 3.896 7.677 1.00 4.52 C ATOM 849 C THR A 53 6.076 2.750 8.256 1.00 63.30 C ATOM 850 O THR A 53 4.872 2.884 8.475 1.00 63.13 O ATOM 851 CB THR A 53 6.956 5.041 8.707 1.00 4.03 C ATOM 852 OG1 THR A 53 6.879 4.510 10.035 1.00 35.32 O ATOM 853 CG2 THR A 53 5.820 6.029 8.485 1.00 13.11 C ATOM 0 H THR A 53 5.485 3.874 6.127 1.00 3.21 H new ATOM 0 HA THR A 53 7.908 3.547 7.472 1.00 4.52 H new ATOM 0 HB THR A 53 7.903 5.565 8.579 1.00 4.03 H new ATOM 0 HG1 THR A 53 6.919 5.244 10.683 1.00 35.32 H new ATOM 0 HG21 THR A 53 5.883 6.828 9.224 1.00 13.11 H new ATOM 0 HG22 THR A 53 5.897 6.453 7.484 1.00 13.11 H new ATOM 0 HG23 THR A 53 4.865 5.514 8.588 1.00 13.11 H new ATOM 861 N SER A 54 6.735 1.623 8.502 1.00 60.52 N ATOM 862 CA SER A 54 6.066 0.450 9.054 1.00 4.14 C ATOM 863 C SER A 54 5.304 0.807 10.327 1.00 14.31 C ATOM 864 O SER A 54 4.242 0.252 10.602 1.00 42.24 O ATOM 865 CB SER A 54 7.083 -0.654 9.347 1.00 2.34 C ATOM 866 OG SER A 54 7.552 -0.574 10.682 1.00 3.13 O ATOM 0 H SER A 54 7.732 1.497 8.328 1.00 60.52 H new ATOM 0 HA SER A 54 5.352 0.089 8.314 1.00 4.14 H new ATOM 0 HB2 SER A 54 6.626 -1.629 9.177 1.00 2.34 H new ATOM 0 HB3 SER A 54 7.923 -0.571 8.657 1.00 2.34 H new ATOM 0 HG SER A 54 7.882 -1.452 10.966 1.00 3.13 H new ATOM 872 N GLU A 55 5.857 1.738 11.097 1.00 72.13 N ATOM 873 CA GLU A 55 5.231 2.169 12.342 1.00 50.32 C ATOM 874 C GLU A 55 4.135 3.196 12.072 1.00 13.43 C ATOM 875 O GLU A 55 3.194 3.335 12.852 1.00 24.41 O ATOM 876 CB GLU A 55 6.279 2.762 13.287 1.00 65.03 C ATOM 877 CG GLU A 55 7.020 1.718 14.106 1.00 2.22 C ATOM 878 CD GLU A 55 6.649 1.759 15.576 1.00 14.40 C ATOM 879 OE1 GLU A 55 7.056 2.719 16.264 1.00 21.50 O ATOM 880 OE2 GLU A 55 5.954 0.831 16.037 1.00 62.22 O ATOM 0 H GLU A 55 6.736 2.208 10.881 1.00 72.13 H new ATOM 0 HA GLU A 55 4.779 1.296 12.813 1.00 50.32 H new ATOM 0 HB2 GLU A 55 7.001 3.333 12.703 1.00 65.03 H new ATOM 0 HB3 GLU A 55 5.791 3.463 13.964 1.00 65.03 H new ATOM 0 HG2 GLU A 55 6.802 0.727 13.708 1.00 2.22 H new ATOM 0 HG3 GLU A 55 8.094 1.874 14.002 1.00 2.22 H new ATOM 887 N GLY A 56 4.265 3.914 10.961 1.00 24.30 N ATOM 888 CA GLY A 56 3.279 4.919 10.607 1.00 52.14 C ATOM 889 C GLY A 56 1.999 4.312 10.071 1.00 22.42 C ATOM 890 O GLY A 56 0.930 4.918 10.162 1.00 14.23 O ATOM 0 H GLY A 56 5.035 3.818 10.299 1.00 24.30 H new ATOM 0 HA2 GLY A 56 3.051 5.524 11.484 1.00 52.14 H new ATOM 0 HA3 GLY A 56 3.701 5.589 9.858 1.00 52.14 H new ATOM 894 N CYS A 57 2.105 3.114 9.508 1.00 23.43 N ATOM 895 CA CYS A 57 0.946 2.425 8.951 1.00 63.32 C ATOM 896 C CYS A 57 0.060 1.866 10.062 1.00 14.35 C ATOM 897 O CYS A 57 -1.094 2.270 10.209 1.00 60.54 O ATOM 898 CB CYS A 57 1.395 1.295 8.024 1.00 23.42 C ATOM 899 SG CYS A 57 2.088 1.860 6.452 1.00 63.12 S ATOM 0 H CYS A 57 2.982 2.599 9.425 1.00 23.43 H new ATOM 0 HA CYS A 57 0.366 3.147 8.377 1.00 63.32 H new ATOM 0 HB2 CYS A 57 2.140 0.690 8.541 1.00 23.42 H new ATOM 0 HB3 CYS A 57 0.543 0.646 7.821 1.00 23.42 H new ATOM 0 HG CYS A 57 3.314 1.442 6.343 1.00 63.12 H new ATOM 905 N ARG A 58 0.608 0.937 10.837 1.00 22.31 N ATOM 906 CA ARG A 58 -0.134 0.321 11.931 1.00 34.14 C ATOM 907 C ARG A 58 -0.824 1.381 12.784 1.00 30.22 C ATOM 908 O ARG A 58 -1.921 1.161 13.295 1.00 62.45 O ATOM 909 CB ARG A 58 0.804 -0.518 12.802 1.00 3.05 C ATOM 910 CG ARG A 58 0.547 -2.013 12.707 1.00 51.10 C ATOM 911 CD ARG A 58 1.155 -2.759 13.884 1.00 51.35 C ATOM 912 NE ARG A 58 1.787 -4.010 13.473 1.00 45.00 N ATOM 913 CZ ARG A 58 2.436 -4.814 14.308 1.00 23.13 C ATOM 914 NH1 ARG A 58 2.539 -4.500 15.591 1.00 42.45 N ATOM 915 NH2 ARG A 58 2.984 -5.936 13.857 1.00 43.01 N ATOM 0 H ARG A 58 1.562 0.594 10.728 1.00 22.31 H new ATOM 0 HA ARG A 58 -0.897 -0.327 11.500 1.00 34.14 H new ATOM 0 HB2 ARG A 58 1.835 -0.316 12.511 1.00 3.05 H new ATOM 0 HB3 ARG A 58 0.699 -0.205 13.841 1.00 3.05 H new ATOM 0 HG2 ARG A 58 -0.527 -2.197 12.674 1.00 51.10 H new ATOM 0 HG3 ARG A 58 0.965 -2.397 11.776 1.00 51.10 H new ATOM 0 HD2 ARG A 58 1.893 -2.124 14.373 1.00 51.35 H new ATOM 0 HD3 ARG A 58 0.379 -2.970 14.619 1.00 51.35 H new ATOM 0 HE ARG A 58 1.727 -4.281 12.492 1.00 45.00 H new ATOM 0 HH11 ARG A 58 2.119 -3.639 15.941 1.00 42.45 H new ATOM 0 HH12 ARG A 58 3.038 -5.120 16.229 1.00 42.45 H new ATOM 0 HH21 ARG A 58 2.907 -6.180 12.870 1.00 43.01 H new ATOM 0 HH22 ARG A 58 3.482 -6.554 14.498 1.00 43.01 H new ATOM 929 N GLN A 59 -0.173 2.531 12.932 1.00 22.05 N ATOM 930 CA GLN A 59 -0.725 3.624 13.723 1.00 54.35 C ATOM 931 C GLN A 59 -2.051 4.102 13.142 1.00 61.24 C ATOM 932 O GLN A 59 -3.007 4.353 13.876 1.00 70.15 O ATOM 933 CB GLN A 59 0.266 4.787 13.785 1.00 55.23 C ATOM 934 CG GLN A 59 0.224 5.553 15.098 1.00 2.44 C ATOM 935 CD GLN A 59 1.400 6.496 15.262 1.00 1.14 C ATOM 936 OE1 GLN A 59 2.496 6.079 15.638 1.00 13.41 O ATOM 937 NE2 GLN A 59 1.178 7.774 14.980 1.00 2.02 N ATOM 0 H GLN A 59 0.736 2.729 12.515 1.00 22.05 H new ATOM 0 HA GLN A 59 -0.904 3.253 14.732 1.00 54.35 H new ATOM 0 HB2 GLN A 59 1.274 4.403 13.630 1.00 55.23 H new ATOM 0 HB3 GLN A 59 0.058 5.475 12.966 1.00 55.23 H new ATOM 0 HG2 GLN A 59 -0.704 6.123 15.152 1.00 2.44 H new ATOM 0 HG3 GLN A 59 0.212 4.845 15.927 1.00 2.44 H new ATOM 0 HE21 GLN A 59 0.254 8.075 14.672 1.00 2.02 H new ATOM 0 HE22 GLN A 59 1.932 8.455 15.072 1.00 2.02 H new ATOM 946 N ILE A 60 -2.102 4.225 11.820 1.00 64.21 N ATOM 947 CA ILE A 60 -3.312 4.672 11.141 1.00 64.42 C ATOM 948 C ILE A 60 -4.509 3.808 11.524 1.00 2.21 C ATOM 949 O ILE A 60 -5.608 4.315 11.755 1.00 13.45 O ATOM 950 CB ILE A 60 -3.142 4.644 9.610 1.00 40.14 C ATOM 951 CG1 ILE A 60 -1.964 5.525 9.190 1.00 32.41 C ATOM 952 CG2 ILE A 60 -4.422 5.100 8.927 1.00 64.34 C ATOM 953 CD1 ILE A 60 -1.278 5.055 7.926 1.00 61.33 C ATOM 0 H ILE A 60 -1.320 4.021 11.198 1.00 64.21 H new ATOM 0 HA ILE A 60 -3.491 5.699 11.460 1.00 64.42 H new ATOM 0 HB ILE A 60 -2.934 3.620 9.301 1.00 40.14 H new ATOM 0 HG12 ILE A 60 -2.318 6.545 9.044 1.00 32.41 H new ATOM 0 HG13 ILE A 60 -1.235 5.554 10.000 1.00 32.41 H new ATOM 0 HG21 ILE A 60 -4.286 5.075 7.846 1.00 64.34 H new ATOM 0 HG22 ILE A 60 -5.240 4.435 9.206 1.00 64.34 H new ATOM 0 HG23 ILE A 60 -4.659 6.117 9.239 1.00 64.34 H new ATOM 0 HD11 ILE A 60 -0.453 5.727 7.688 1.00 61.33 H new ATOM 0 HD12 ILE A 60 -0.893 4.046 8.074 1.00 61.33 H new ATOM 0 HD13 ILE A 60 -1.993 5.053 7.103 1.00 61.33 H new ATOM 965 N LEU A 61 -4.289 2.500 11.593 1.00 41.14 N ATOM 966 CA LEU A 61 -5.349 1.563 11.950 1.00 52.25 C ATOM 967 C LEU A 61 -5.899 1.869 13.341 1.00 32.42 C ATOM 968 O LEU A 61 -7.075 1.638 13.619 1.00 30.53 O ATOM 969 CB LEU A 61 -4.825 0.127 11.901 1.00 21.05 C ATOM 970 CG LEU A 61 -4.108 -0.281 10.614 1.00 33.40 C ATOM 971 CD1 LEU A 61 -3.599 -1.711 10.718 1.00 33.43 C ATOM 972 CD2 LEU A 61 -5.033 -0.129 9.415 1.00 52.23 C ATOM 0 H LEU A 61 -3.386 2.064 11.406 1.00 41.14 H new ATOM 0 HA LEU A 61 -6.157 1.673 11.227 1.00 52.25 H new ATOM 0 HB2 LEU A 61 -4.140 -0.017 12.737 1.00 21.05 H new ATOM 0 HB3 LEU A 61 -5.665 -0.551 12.056 1.00 21.05 H new ATOM 0 HG LEU A 61 -3.253 0.380 10.473 1.00 33.40 H new ATOM 0 HD11 LEU A 61 -3.091 -1.985 9.793 1.00 33.43 H new ATOM 0 HD12 LEU A 61 -2.901 -1.789 11.552 1.00 33.43 H new ATOM 0 HD13 LEU A 61 -4.439 -2.385 10.884 1.00 33.43 H new ATOM 0 HD21 LEU A 61 -4.505 -0.424 8.508 1.00 52.23 H new ATOM 0 HD22 LEU A 61 -5.909 -0.764 9.548 1.00 52.23 H new ATOM 0 HD23 LEU A 61 -5.349 0.911 9.329 1.00 52.23 H new ATOM 984 N GLY A 62 -5.039 2.390 14.210 1.00 74.14 N ATOM 985 CA GLY A 62 -5.458 2.721 15.560 1.00 21.44 C ATOM 986 C GLY A 62 -6.433 3.881 15.597 1.00 75.11 C ATOM 987 O GLY A 62 -7.339 3.911 16.429 1.00 31.24 O ATOM 0 H GLY A 62 -4.060 2.589 14.004 1.00 74.14 H new ATOM 0 HA2 GLY A 62 -5.921 1.847 16.018 1.00 21.44 H new ATOM 0 HA3 GLY A 62 -4.581 2.968 16.159 1.00 21.44 H new ATOM 991 N GLN A 63 -6.246 4.838 14.694 1.00 32.31 N ATOM 992 CA GLN A 63 -7.115 6.007 14.630 1.00 32.41 C ATOM 993 C GLN A 63 -8.422 5.675 13.916 1.00 73.45 C ATOM 994 O GLN A 63 -9.373 6.455 13.946 1.00 44.23 O ATOM 995 CB GLN A 63 -6.406 7.157 13.911 1.00 40.15 C ATOM 996 CG GLN A 63 -5.739 8.144 14.855 1.00 22.10 C ATOM 997 CD GLN A 63 -6.026 9.587 14.489 1.00 25.44 C ATOM 998 OE1 GLN A 63 -7.065 10.138 14.856 1.00 32.34 O ATOM 999 NE2 GLN A 63 -5.105 10.208 13.762 1.00 50.01 N ATOM 0 H GLN A 63 -5.501 4.827 13.997 1.00 32.31 H new ATOM 0 HA GLN A 63 -7.346 6.313 15.650 1.00 32.41 H new ATOM 0 HB2 GLN A 63 -5.654 6.745 13.238 1.00 40.15 H new ATOM 0 HB3 GLN A 63 -7.129 7.689 13.293 1.00 40.15 H new ATOM 0 HG2 GLN A 63 -6.082 7.956 15.872 1.00 22.10 H new ATOM 0 HG3 GLN A 63 -4.662 7.978 14.846 1.00 22.10 H new ATOM 0 HE21 GLN A 63 -4.259 9.713 13.480 1.00 50.01 H new ATOM 0 HE22 GLN A 63 -5.243 11.180 13.486 1.00 50.01 H new ATOM 1008 N LEU A 64 -8.459 4.512 13.274 1.00 5.22 N ATOM 1009 CA LEU A 64 -9.650 4.076 12.552 1.00 62.10 C ATOM 1010 C LEU A 64 -10.359 2.952 13.300 1.00 1.11 C ATOM 1011 O LEU A 64 -11.540 2.691 13.073 1.00 11.24 O ATOM 1012 CB LEU A 64 -9.274 3.609 11.144 1.00 41.20 C ATOM 1013 CG LEU A 64 -8.730 4.686 10.204 1.00 32.31 C ATOM 1014 CD1 LEU A 64 -8.484 4.108 8.819 1.00 13.02 C ATOM 1015 CD2 LEU A 64 -9.689 5.864 10.130 1.00 41.01 C ATOM 0 H LEU A 64 -7.680 3.855 13.239 1.00 5.22 H new ATOM 0 HA LEU A 64 -10.331 4.924 12.478 1.00 62.10 H new ATOM 0 HB2 LEU A 64 -8.527 2.820 11.232 1.00 41.20 H new ATOM 0 HB3 LEU A 64 -10.155 3.164 10.683 1.00 41.20 H new ATOM 0 HG LEU A 64 -7.780 5.043 10.601 1.00 32.31 H new ATOM 0 HD11 LEU A 64 -8.097 4.888 8.163 1.00 13.02 H new ATOM 0 HD12 LEU A 64 -7.758 3.298 8.887 1.00 13.02 H new ATOM 0 HD13 LEU A 64 -9.420 3.724 8.413 1.00 13.02 H new ATOM 0 HD21 LEU A 64 -9.285 6.620 9.457 1.00 41.01 H new ATOM 0 HD22 LEU A 64 -10.655 5.524 9.756 1.00 41.01 H new ATOM 0 HD23 LEU A 64 -9.815 6.293 11.124 1.00 41.01 H new ATOM 1027 N GLN A 65 -9.631 2.291 14.194 1.00 1.42 N ATOM 1028 CA GLN A 65 -10.191 1.196 14.977 1.00 43.32 C ATOM 1029 C GLN A 65 -11.509 1.609 15.625 1.00 12.21 C ATOM 1030 O GLN A 65 -12.561 1.017 15.382 1.00 53.12 O ATOM 1031 CB GLN A 65 -9.199 0.749 16.052 1.00 35.03 C ATOM 1032 CG GLN A 65 -8.413 -0.496 15.673 1.00 3.21 C ATOM 1033 CD GLN A 65 -9.269 -1.748 15.667 1.00 52.40 C ATOM 1034 OE1 GLN A 65 -10.214 -1.863 14.886 1.00 32.22 O ATOM 1035 NE2 GLN A 65 -8.941 -2.693 16.539 1.00 32.11 N ATOM 0 H GLN A 65 -8.652 2.495 14.394 1.00 1.42 H new ATOM 0 HA GLN A 65 -10.384 0.362 14.302 1.00 43.32 H new ATOM 0 HB2 GLN A 65 -8.501 1.562 16.252 1.00 35.03 H new ATOM 0 HB3 GLN A 65 -9.741 0.559 16.978 1.00 35.03 H new ATOM 0 HG2 GLN A 65 -7.973 -0.357 14.686 1.00 3.21 H new ATOM 0 HG3 GLN A 65 -7.588 -0.628 16.374 1.00 3.21 H new ATOM 0 HE21 GLN A 65 -8.150 -2.555 17.167 1.00 32.11 H new ATOM 0 HE22 GLN A 65 -9.480 -3.558 16.581 1.00 32.11 H new ATOM 1044 N PRO A 66 -11.453 2.649 16.469 1.00 63.15 N ATOM 1045 CA PRO A 66 -12.633 3.164 17.171 1.00 33.24 C ATOM 1046 C PRO A 66 -13.610 3.857 16.227 1.00 42.12 C ATOM 1047 O PRO A 66 -14.652 4.356 16.654 1.00 12.14 O ATOM 1048 CB PRO A 66 -12.045 4.169 18.164 1.00 70.21 C ATOM 1049 CG PRO A 66 -10.757 4.599 17.551 1.00 42.32 C ATOM 1050 CD PRO A 66 -10.233 3.402 16.806 1.00 1.03 C ATOM 0 HA PRO A 66 -13.208 2.367 17.642 1.00 33.24 H new ATOM 0 HB2 PRO A 66 -12.715 5.016 18.313 1.00 70.21 H new ATOM 0 HB3 PRO A 66 -11.886 3.713 19.141 1.00 70.21 H new ATOM 0 HG2 PRO A 66 -10.908 5.443 16.877 1.00 42.32 H new ATOM 0 HG3 PRO A 66 -10.050 4.923 18.315 1.00 42.32 H new ATOM 0 HD2 PRO A 66 -9.682 3.695 15.912 1.00 1.03 H new ATOM 0 HD3 PRO A 66 -9.553 2.812 17.421 1.00 1.03 H new ATOM 1058 N SER A 67 -13.268 3.885 14.943 1.00 50.34 N ATOM 1059 CA SER A 67 -14.113 4.520 13.940 1.00 42.10 C ATOM 1060 C SER A 67 -14.759 3.477 13.033 1.00 74.24 C ATOM 1061 O SER A 67 -15.767 3.744 12.378 1.00 42.33 O ATOM 1062 CB SER A 67 -13.296 5.505 13.101 1.00 51.13 C ATOM 1063 OG SER A 67 -12.741 6.526 13.912 1.00 51.30 O ATOM 0 H SER A 67 -12.411 3.475 14.573 1.00 50.34 H new ATOM 0 HA SER A 67 -14.902 5.064 14.459 1.00 42.10 H new ATOM 0 HB2 SER A 67 -12.498 4.973 12.584 1.00 51.13 H new ATOM 0 HB3 SER A 67 -13.931 5.949 12.335 1.00 51.13 H new ATOM 0 HG SER A 67 -11.764 6.454 13.905 1.00 51.30 H new ATOM 1069 N LEU A 68 -14.170 2.286 13.000 1.00 50.11 N ATOM 1070 CA LEU A 68 -14.685 1.200 12.174 1.00 4.14 C ATOM 1071 C LEU A 68 -16.126 0.869 12.548 1.00 63.33 C ATOM 1072 O LEU A 68 -16.924 0.479 11.696 1.00 63.34 O ATOM 1073 CB LEU A 68 -13.808 -0.044 12.326 1.00 0.21 C ATOM 1074 CG LEU A 68 -12.459 -0.004 11.608 1.00 54.12 C ATOM 1075 CD1 LEU A 68 -11.452 -0.900 12.313 1.00 51.23 C ATOM 1076 CD2 LEU A 68 -12.616 -0.420 10.153 1.00 2.13 C ATOM 0 H LEU A 68 -13.335 2.048 13.536 1.00 50.11 H new ATOM 0 HA LEU A 68 -14.664 1.526 11.134 1.00 4.14 H new ATOM 0 HB2 LEU A 68 -13.627 -0.209 13.388 1.00 0.21 H new ATOM 0 HB3 LEU A 68 -14.367 -0.905 11.960 1.00 0.21 H new ATOM 0 HG LEU A 68 -12.086 1.020 11.635 1.00 54.12 H new ATOM 0 HD11 LEU A 68 -10.498 -0.859 11.788 1.00 51.23 H new ATOM 0 HD12 LEU A 68 -11.316 -0.558 13.339 1.00 51.23 H new ATOM 0 HD13 LEU A 68 -11.819 -1.926 12.318 1.00 51.23 H new ATOM 0 HD21 LEU A 68 -11.646 -0.385 9.658 1.00 2.13 H new ATOM 0 HD22 LEU A 68 -13.012 -1.434 10.105 1.00 2.13 H new ATOM 0 HD23 LEU A 68 -13.303 0.262 9.652 1.00 2.13 H new ATOM 1088 N GLN A 69 -16.452 1.029 13.828 1.00 35.45 N ATOM 1089 CA GLN A 69 -17.797 0.746 14.313 1.00 41.41 C ATOM 1090 C GLN A 69 -18.845 1.443 13.451 1.00 52.43 C ATOM 1091 O GLN A 69 -19.867 0.854 13.099 1.00 4.13 O ATOM 1092 CB GLN A 69 -17.940 1.193 15.770 1.00 35.53 C ATOM 1093 CG GLN A 69 -18.966 0.391 16.554 1.00 41.12 C ATOM 1094 CD GLN A 69 -18.353 -0.790 17.280 1.00 60.10 C ATOM 1095 OE1 GLN A 69 -17.342 -1.342 16.846 1.00 72.45 O ATOM 1096 NE2 GLN A 69 -18.964 -1.184 18.391 1.00 21.01 N ATOM 0 H GLN A 69 -15.804 1.353 14.546 1.00 35.45 H new ATOM 0 HA GLN A 69 -17.959 -0.330 14.251 1.00 41.41 H new ATOM 0 HB2 GLN A 69 -16.972 1.110 16.264 1.00 35.53 H new ATOM 0 HB3 GLN A 69 -18.220 2.246 15.793 1.00 35.53 H new ATOM 0 HG2 GLN A 69 -19.455 1.043 17.277 1.00 41.12 H new ATOM 0 HG3 GLN A 69 -19.739 0.033 15.874 1.00 41.12 H new ATOM 0 HE21 GLN A 69 -19.800 -0.697 18.714 1.00 21.01 H new ATOM 0 HE22 GLN A 69 -18.597 -1.974 18.922 1.00 21.01 H new ATOM 1105 N THR A 70 -18.583 2.703 13.113 1.00 24.23 N ATOM 1106 CA THR A 70 -19.504 3.480 12.293 1.00 72.01 C ATOM 1107 C THR A 70 -18.749 4.366 11.309 1.00 50.42 C ATOM 1108 O THR A 70 -18.999 5.568 11.222 1.00 21.31 O ATOM 1109 CB THR A 70 -20.421 4.362 13.161 1.00 4.33 C ATOM 1110 OG1 THR A 70 -20.627 3.748 14.438 1.00 21.22 O ATOM 1111 CG2 THR A 70 -21.762 4.584 12.478 1.00 23.14 C ATOM 0 H THR A 70 -17.741 3.206 13.395 1.00 24.23 H new ATOM 0 HA THR A 70 -20.115 2.766 11.741 1.00 72.01 H new ATOM 0 HB THR A 70 -19.935 5.328 13.297 1.00 4.33 H new ATOM 0 HG1 THR A 70 -21.210 4.316 14.984 1.00 21.22 H new ATOM 0 HG21 THR A 70 -22.393 5.210 13.110 1.00 23.14 H new ATOM 0 HG22 THR A 70 -21.605 5.078 11.519 1.00 23.14 H new ATOM 0 HG23 THR A 70 -22.251 3.623 12.315 1.00 23.14 H new ATOM 1119 N GLY A 71 -17.823 3.765 10.568 1.00 12.53 N ATOM 1120 CA GLY A 71 -17.046 4.515 9.599 1.00 53.55 C ATOM 1121 C GLY A 71 -17.543 4.320 8.181 1.00 41.51 C ATOM 1122 O GLY A 71 -18.009 3.239 7.823 1.00 4.33 O ATOM 0 H GLY A 71 -17.597 2.772 10.622 1.00 12.53 H new ATOM 0 HA2 GLY A 71 -17.082 5.575 9.851 1.00 53.55 H new ATOM 0 HA3 GLY A 71 -16.002 4.209 9.660 1.00 53.55 H new ATOM 1126 N SER A 72 -17.446 5.371 7.371 1.00 74.30 N ATOM 1127 CA SER A 72 -17.895 5.312 5.985 1.00 54.05 C ATOM 1128 C SER A 72 -17.089 4.284 5.197 1.00 23.15 C ATOM 1129 O SER A 72 -15.972 3.933 5.575 1.00 12.53 O ATOM 1130 CB SER A 72 -17.771 6.687 5.328 1.00 1.41 C ATOM 1131 OG SER A 72 -16.413 7.029 5.112 1.00 22.13 O ATOM 0 H SER A 72 -17.061 6.273 7.651 1.00 74.30 H new ATOM 0 HA SER A 72 -18.942 5.009 5.980 1.00 54.05 H new ATOM 0 HB2 SER A 72 -18.305 6.689 4.378 1.00 1.41 H new ATOM 0 HB3 SER A 72 -18.243 7.439 5.960 1.00 1.41 H new ATOM 0 HG SER A 72 -16.361 7.912 4.689 1.00 22.13 H new ATOM 1137 N GLU A 73 -17.666 3.807 4.098 1.00 34.32 N ATOM 1138 CA GLU A 73 -17.002 2.819 3.255 1.00 73.15 C ATOM 1139 C GLU A 73 -15.548 3.208 3.003 1.00 40.13 C ATOM 1140 O GLU A 73 -14.651 2.368 3.063 1.00 13.00 O ATOM 1141 CB GLU A 73 -17.740 2.673 1.923 1.00 71.53 C ATOM 1142 CG GLU A 73 -18.659 1.464 1.867 1.00 62.43 C ATOM 1143 CD GLU A 73 -19.577 1.485 0.660 1.00 60.22 C ATOM 1144 OE1 GLU A 73 -20.528 2.295 0.654 1.00 0.04 O ATOM 1145 OE2 GLU A 73 -19.347 0.691 -0.275 1.00 14.34 O ATOM 0 H GLU A 73 -18.590 4.088 3.771 1.00 34.32 H new ATOM 0 HA GLU A 73 -17.019 1.863 3.778 1.00 73.15 H new ATOM 0 HB2 GLU A 73 -18.326 3.574 1.741 1.00 71.53 H new ATOM 0 HB3 GLU A 73 -17.009 2.601 1.118 1.00 71.53 H new ATOM 0 HG2 GLU A 73 -18.057 0.555 1.845 1.00 62.43 H new ATOM 0 HG3 GLU A 73 -19.260 1.427 2.776 1.00 62.43 H new ATOM 1152 N GLU A 74 -15.324 4.487 2.720 1.00 43.11 N ATOM 1153 CA GLU A 74 -13.980 4.987 2.458 1.00 14.43 C ATOM 1154 C GLU A 74 -13.030 4.618 3.593 1.00 31.04 C ATOM 1155 O GLU A 74 -11.922 4.134 3.358 1.00 60.11 O ATOM 1156 CB GLU A 74 -14.004 6.506 2.272 1.00 51.10 C ATOM 1157 CG GLU A 74 -15.048 6.981 1.277 1.00 5.54 C ATOM 1158 CD GLU A 74 -16.329 7.439 1.947 1.00 43.22 C ATOM 1159 OE1 GLU A 74 -16.413 8.630 2.315 1.00 34.43 O ATOM 1160 OE2 GLU A 74 -17.246 6.606 2.106 1.00 3.45 O ATOM 0 H GLU A 74 -16.056 5.196 2.666 1.00 43.11 H new ATOM 0 HA GLU A 74 -13.620 4.521 1.541 1.00 14.43 H new ATOM 0 HB2 GLU A 74 -14.192 6.979 3.236 1.00 51.10 H new ATOM 0 HB3 GLU A 74 -13.020 6.838 1.940 1.00 51.10 H new ATOM 0 HG2 GLU A 74 -14.637 7.802 0.689 1.00 5.54 H new ATOM 0 HG3 GLU A 74 -15.275 6.173 0.581 1.00 5.54 H new ATOM 1167 N LEU A 75 -13.471 4.849 4.825 1.00 3.13 N ATOM 1168 CA LEU A 75 -12.661 4.540 5.998 1.00 0.44 C ATOM 1169 C LEU A 75 -12.264 3.068 6.014 1.00 24.32 C ATOM 1170 O LEU A 75 -11.086 2.735 6.148 1.00 20.35 O ATOM 1171 CB LEU A 75 -13.426 4.888 7.276 1.00 5.25 C ATOM 1172 CG LEU A 75 -12.576 5.142 8.520 1.00 75.43 C ATOM 1173 CD1 LEU A 75 -12.888 6.507 9.113 1.00 33.33 C ATOM 1174 CD2 LEU A 75 -12.801 4.046 9.552 1.00 74.24 C ATOM 0 H LEU A 75 -14.385 5.249 5.037 1.00 3.13 H new ATOM 0 HA LEU A 75 -11.753 5.141 5.950 1.00 0.44 H new ATOM 0 HB2 LEU A 75 -14.028 5.776 7.084 1.00 5.25 H new ATOM 0 HB3 LEU A 75 -14.118 4.075 7.494 1.00 5.25 H new ATOM 0 HG LEU A 75 -11.526 5.129 8.227 1.00 75.43 H new ATOM 0 HD11 LEU A 75 -12.272 6.669 9.998 1.00 33.33 H new ATOM 0 HD12 LEU A 75 -12.674 7.281 8.376 1.00 33.33 H new ATOM 0 HD13 LEU A 75 -13.941 6.551 9.391 1.00 33.33 H new ATOM 0 HD21 LEU A 75 -12.188 4.243 10.431 1.00 74.24 H new ATOM 0 HD22 LEU A 75 -13.852 4.027 9.839 1.00 74.24 H new ATOM 0 HD23 LEU A 75 -12.524 3.082 9.125 1.00 74.24 H new ATOM 1186 N ARG A 76 -13.253 2.192 5.874 1.00 44.11 N ATOM 1187 CA ARG A 76 -13.006 0.755 5.871 1.00 63.31 C ATOM 1188 C ARG A 76 -11.959 0.385 4.825 1.00 50.32 C ATOM 1189 O ARG A 76 -10.992 -0.316 5.123 1.00 11.24 O ATOM 1190 CB ARG A 76 -14.305 -0.006 5.600 1.00 24.43 C ATOM 1191 CG ARG A 76 -14.832 -0.763 6.808 1.00 31.42 C ATOM 1192 CD ARG A 76 -14.087 -2.072 7.014 1.00 74.04 C ATOM 1193 NE ARG A 76 -14.966 -3.132 7.500 1.00 53.24 N ATOM 1194 CZ ARG A 76 -14.579 -4.393 7.659 1.00 30.23 C ATOM 1195 NH1 ARG A 76 -13.335 -4.749 7.371 1.00 70.10 N ATOM 1196 NH2 ARG A 76 -15.437 -5.300 8.106 1.00 65.35 N ATOM 0 H ARG A 76 -14.233 2.452 5.761 1.00 44.11 H new ATOM 0 HA ARG A 76 -12.627 0.475 6.854 1.00 63.31 H new ATOM 0 HB2 ARG A 76 -15.065 0.699 5.264 1.00 24.43 H new ATOM 0 HB3 ARG A 76 -14.140 -0.710 4.784 1.00 24.43 H new ATOM 0 HG2 ARG A 76 -14.733 -0.143 7.699 1.00 31.42 H new ATOM 0 HG3 ARG A 76 -15.895 -0.965 6.677 1.00 31.42 H new ATOM 0 HD2 ARG A 76 -13.632 -2.382 6.073 1.00 74.04 H new ATOM 0 HD3 ARG A 76 -13.276 -1.919 7.726 1.00 74.04 H new ATOM 0 HE ARG A 76 -15.930 -2.891 7.730 1.00 53.24 H new ATOM 0 HH11 ARG A 76 -12.672 -4.054 7.026 1.00 70.10 H new ATOM 0 HH12 ARG A 76 -13.040 -5.718 7.494 1.00 70.10 H new ATOM 0 HH21 ARG A 76 -16.395 -5.030 8.328 1.00 65.35 H new ATOM 0 HH22 ARG A 76 -15.139 -6.268 8.228 1.00 65.35 H new ATOM 1210 N SER A 77 -12.160 0.861 3.600 1.00 50.15 N ATOM 1211 CA SER A 77 -11.235 0.577 2.510 1.00 23.13 C ATOM 1212 C SER A 77 -9.796 0.855 2.930 1.00 52.44 C ATOM 1213 O SER A 77 -8.893 0.058 2.669 1.00 3.15 O ATOM 1214 CB SER A 77 -11.590 1.416 1.280 1.00 62.14 C ATOM 1215 OG SER A 77 -12.643 0.818 0.542 1.00 51.14 O ATOM 0 H SER A 77 -12.955 1.445 3.338 1.00 50.15 H new ATOM 0 HA SER A 77 -11.323 -0.480 2.259 1.00 23.13 H new ATOM 0 HB2 SER A 77 -11.884 2.418 1.592 1.00 62.14 H new ATOM 0 HB3 SER A 77 -10.712 1.525 0.644 1.00 62.14 H new ATOM 0 HG SER A 77 -12.853 1.374 -0.238 1.00 51.14 H new ATOM 1221 N LEU A 78 -9.587 1.994 3.585 1.00 34.32 N ATOM 1222 CA LEU A 78 -8.257 2.380 4.043 1.00 61.54 C ATOM 1223 C LEU A 78 -7.645 1.290 4.918 1.00 73.11 C ATOM 1224 O LEU A 78 -6.542 0.814 4.652 1.00 35.53 O ATOM 1225 CB LEU A 78 -8.327 3.695 4.821 1.00 72.32 C ATOM 1226 CG LEU A 78 -7.791 4.931 4.098 1.00 15.12 C ATOM 1227 CD1 LEU A 78 -6.367 4.694 3.618 1.00 70.23 C ATOM 1228 CD2 LEU A 78 -8.694 5.300 2.930 1.00 45.12 C ATOM 0 H LEU A 78 -10.322 2.665 3.810 1.00 34.32 H new ATOM 0 HA LEU A 78 -7.622 2.516 3.167 1.00 61.54 H new ATOM 0 HB2 LEU A 78 -9.367 3.879 5.092 1.00 72.32 H new ATOM 0 HB3 LEU A 78 -7.772 3.574 5.751 1.00 72.32 H new ATOM 0 HG LEU A 78 -7.782 5.763 4.802 1.00 15.12 H new ATOM 0 HD11 LEU A 78 -6.003 5.585 3.106 1.00 70.23 H new ATOM 0 HD12 LEU A 78 -5.726 4.479 4.473 1.00 70.23 H new ATOM 0 HD13 LEU A 78 -6.351 3.848 2.931 1.00 70.23 H new ATOM 0 HD21 LEU A 78 -8.297 6.182 2.427 1.00 45.12 H new ATOM 0 HD22 LEU A 78 -8.736 4.469 2.226 1.00 45.12 H new ATOM 0 HD23 LEU A 78 -9.697 5.514 3.299 1.00 45.12 H new ATOM 1240 N TYR A 79 -8.369 0.900 5.961 1.00 31.24 N ATOM 1241 CA TYR A 79 -7.897 -0.134 6.874 1.00 51.23 C ATOM 1242 C TYR A 79 -7.456 -1.377 6.110 1.00 72.20 C ATOM 1243 O TYR A 79 -6.373 -1.912 6.345 1.00 70.40 O ATOM 1244 CB TYR A 79 -8.995 -0.499 7.875 1.00 24.24 C ATOM 1245 CG TYR A 79 -8.471 -1.124 9.148 1.00 51.34 C ATOM 1246 CD1 TYR A 79 -7.822 -2.351 9.128 1.00 32.50 C ATOM 1247 CD2 TYR A 79 -8.625 -0.483 10.373 1.00 31.22 C ATOM 1248 CE1 TYR A 79 -7.343 -2.926 10.290 1.00 12.34 C ATOM 1249 CE2 TYR A 79 -8.147 -1.050 11.538 1.00 54.23 C ATOM 1250 CZ TYR A 79 -7.507 -2.271 11.492 1.00 10.34 C ATOM 1251 OH TYR A 79 -7.029 -2.838 12.651 1.00 44.11 O ATOM 0 H TYR A 79 -9.284 1.284 6.195 1.00 31.24 H new ATOM 0 HA TYR A 79 -7.037 0.260 7.415 1.00 51.23 H new ATOM 0 HB2 TYR A 79 -9.559 0.399 8.127 1.00 24.24 H new ATOM 0 HB3 TYR A 79 -9.692 -1.190 7.401 1.00 24.24 H new ATOM 0 HD1 TYR A 79 -7.689 -2.865 8.188 1.00 32.50 H new ATOM 0 HD2 TYR A 79 -9.126 0.473 10.414 1.00 31.22 H new ATOM 0 HE1 TYR A 79 -6.843 -3.883 10.257 1.00 12.34 H new ATOM 0 HE2 TYR A 79 -8.274 -0.539 12.481 1.00 54.23 H new ATOM 0 HH TYR A 79 -7.225 -2.248 13.409 1.00 44.11 H new ATOM 1261 N ASN A 80 -8.302 -1.832 5.192 1.00 4.52 N ATOM 1262 CA ASN A 80 -8.001 -3.013 4.391 1.00 52.30 C ATOM 1263 C ASN A 80 -6.749 -2.792 3.548 1.00 24.05 C ATOM 1264 O ASN A 80 -6.093 -3.746 3.127 1.00 75.04 O ATOM 1265 CB ASN A 80 -9.186 -3.356 3.486 1.00 31.42 C ATOM 1266 CG ASN A 80 -8.746 -3.888 2.135 1.00 14.34 C ATOM 1267 OD1 ASN A 80 -8.635 -5.098 1.937 1.00 62.34 O ATOM 1268 ND2 ASN A 80 -8.493 -2.982 1.198 1.00 11.12 N ATOM 0 H ASN A 80 -9.202 -1.400 4.984 1.00 4.52 H new ATOM 0 HA ASN A 80 -7.818 -3.846 5.070 1.00 52.30 H new ATOM 0 HB2 ASN A 80 -9.813 -4.098 3.979 1.00 31.42 H new ATOM 0 HB3 ASN A 80 -9.799 -2.466 3.341 1.00 31.42 H new ATOM 0 HD21 ASN A 80 -8.193 -3.279 0.269 1.00 11.12 H new ATOM 0 HD22 ASN A 80 -8.598 -1.989 1.407 1.00 11.12 H new ATOM 1275 N THR A 81 -6.423 -1.527 3.301 1.00 73.14 N ATOM 1276 CA THR A 81 -5.250 -1.180 2.508 1.00 62.34 C ATOM 1277 C THR A 81 -4.001 -1.100 3.378 1.00 22.02 C ATOM 1278 O THR A 81 -3.050 -1.858 3.185 1.00 51.12 O ATOM 1279 CB THR A 81 -5.442 0.164 1.781 1.00 13.53 C ATOM 1280 OG1 THR A 81 -6.756 0.231 1.215 1.00 12.32 O ATOM 1281 CG2 THR A 81 -4.403 0.339 0.684 1.00 34.34 C ATOM 0 H THR A 81 -6.955 -0.725 3.639 1.00 73.14 H new ATOM 0 HA THR A 81 -5.124 -1.971 1.768 1.00 62.34 H new ATOM 0 HB THR A 81 -5.318 0.966 2.508 1.00 13.53 H new ATOM 0 HG1 THR A 81 -7.406 0.433 1.920 1.00 12.32 H new ATOM 0 HG21 THR A 81 -4.559 1.295 0.185 1.00 34.34 H new ATOM 0 HG22 THR A 81 -3.405 0.316 1.121 1.00 34.34 H new ATOM 0 HG23 THR A 81 -4.500 -0.469 -0.041 1.00 34.34 H new ATOM 1289 N ILE A 82 -4.011 -0.180 4.336 1.00 53.32 N ATOM 1290 CA ILE A 82 -2.879 -0.003 5.236 1.00 50.14 C ATOM 1291 C ILE A 82 -2.398 -1.343 5.785 1.00 32.33 C ATOM 1292 O ILE A 82 -1.197 -1.593 5.877 1.00 14.53 O ATOM 1293 CB ILE A 82 -3.235 0.922 6.415 1.00 31.13 C ATOM 1294 CG1 ILE A 82 -3.721 2.278 5.898 1.00 65.32 C ATOM 1295 CG2 ILE A 82 -2.035 1.098 7.333 1.00 11.23 C ATOM 1296 CD1 ILE A 82 -5.002 2.749 6.552 1.00 11.32 C ATOM 0 H ILE A 82 -4.791 0.454 4.509 1.00 53.32 H new ATOM 0 HA ILE A 82 -2.082 0.456 4.652 1.00 50.14 H new ATOM 0 HB ILE A 82 -4.040 0.462 6.988 1.00 31.13 H new ATOM 0 HG12 ILE A 82 -2.942 3.022 6.065 1.00 65.32 H new ATOM 0 HG13 ILE A 82 -3.875 2.214 4.821 1.00 65.32 H new ATOM 0 HG21 ILE A 82 -2.303 1.754 8.161 1.00 11.23 H new ATOM 0 HG22 ILE A 82 -1.730 0.127 7.724 1.00 11.23 H new ATOM 0 HG23 ILE A 82 -1.210 1.539 6.773 1.00 11.23 H new ATOM 0 HD11 ILE A 82 -5.288 3.716 6.138 1.00 11.32 H new ATOM 0 HD12 ILE A 82 -5.794 2.025 6.363 1.00 11.32 H new ATOM 0 HD13 ILE A 82 -4.848 2.846 7.627 1.00 11.32 H new ATOM 1308 N ALA A 83 -3.345 -2.203 6.145 1.00 42.11 N ATOM 1309 CA ALA A 83 -3.019 -3.518 6.680 1.00 32.42 C ATOM 1310 C ALA A 83 -2.106 -4.286 5.730 1.00 34.42 C ATOM 1311 O ALA A 83 -1.168 -4.958 6.161 1.00 23.35 O ATOM 1312 CB ALA A 83 -4.290 -4.310 6.947 1.00 42.20 C ATOM 0 H ALA A 83 -4.345 -2.012 6.076 1.00 42.11 H new ATOM 0 HA ALA A 83 -2.487 -3.378 7.621 1.00 32.42 H new ATOM 0 HB1 ALA A 83 -4.031 -5.290 7.346 1.00 42.20 H new ATOM 0 HB2 ALA A 83 -4.907 -3.775 7.669 1.00 42.20 H new ATOM 0 HB3 ALA A 83 -4.845 -4.432 6.017 1.00 42.20 H new ATOM 1318 N VAL A 84 -2.386 -4.183 4.434 1.00 23.41 N ATOM 1319 CA VAL A 84 -1.590 -4.868 3.423 1.00 15.34 C ATOM 1320 C VAL A 84 -0.291 -4.118 3.146 1.00 71.43 C ATOM 1321 O VAL A 84 0.700 -4.710 2.715 1.00 44.10 O ATOM 1322 CB VAL A 84 -2.371 -5.024 2.104 1.00 40.41 C ATOM 1323 CG1 VAL A 84 -1.554 -5.808 1.089 1.00 55.42 C ATOM 1324 CG2 VAL A 84 -3.712 -5.695 2.357 1.00 34.55 C ATOM 0 H VAL A 84 -3.158 -3.632 4.060 1.00 23.41 H new ATOM 0 HA VAL A 84 -1.359 -5.857 3.819 1.00 15.34 H new ATOM 0 HB VAL A 84 -2.559 -4.032 1.693 1.00 40.41 H new ATOM 0 HG11 VAL A 84 -2.122 -5.908 0.164 1.00 55.42 H new ATOM 0 HG12 VAL A 84 -0.622 -5.281 0.887 1.00 55.42 H new ATOM 0 HG13 VAL A 84 -1.332 -6.798 1.487 1.00 55.42 H new ATOM 0 HG21 VAL A 84 -4.251 -5.798 1.415 1.00 34.55 H new ATOM 0 HG22 VAL A 84 -3.549 -6.681 2.791 1.00 34.55 H new ATOM 0 HG23 VAL A 84 -4.298 -5.088 3.046 1.00 34.55 H new ATOM 1334 N LEU A 85 -0.302 -2.814 3.397 1.00 72.11 N ATOM 1335 CA LEU A 85 0.875 -1.983 3.176 1.00 55.33 C ATOM 1336 C LEU A 85 1.916 -2.209 4.269 1.00 65.31 C ATOM 1337 O LEU A 85 3.117 -2.253 3.999 1.00 24.04 O ATOM 1338 CB LEU A 85 0.481 -0.506 3.131 1.00 42.42 C ATOM 1339 CG LEU A 85 1.633 0.498 3.136 1.00 54.04 C ATOM 1340 CD1 LEU A 85 2.568 0.244 1.963 1.00 63.53 C ATOM 1341 CD2 LEU A 85 1.100 1.923 3.097 1.00 35.12 C ATOM 0 H LEU A 85 -1.113 -2.309 3.754 1.00 72.11 H new ATOM 0 HA LEU A 85 1.312 -2.266 2.219 1.00 55.33 H new ATOM 0 HB2 LEU A 85 -0.117 -0.338 2.235 1.00 42.42 H new ATOM 0 HB3 LEU A 85 -0.161 -0.296 3.987 1.00 42.42 H new ATOM 0 HG LEU A 85 2.198 0.368 4.059 1.00 54.04 H new ATOM 0 HD11 LEU A 85 3.382 0.969 1.983 1.00 63.53 H new ATOM 0 HD12 LEU A 85 2.977 -0.764 2.035 1.00 63.53 H new ATOM 0 HD13 LEU A 85 2.015 0.345 1.029 1.00 63.53 H new ATOM 0 HD21 LEU A 85 1.935 2.624 3.101 1.00 35.12 H new ATOM 0 HD22 LEU A 85 0.510 2.066 2.192 1.00 35.12 H new ATOM 0 HD23 LEU A 85 0.473 2.101 3.970 1.00 35.12 H new ATOM 1353 N TYR A 86 1.446 -2.355 5.503 1.00 75.24 N ATOM 1354 CA TYR A 86 2.336 -2.577 6.637 1.00 72.54 C ATOM 1355 C TYR A 86 3.267 -3.759 6.376 1.00 42.00 C ATOM 1356 O TYR A 86 4.430 -3.747 6.780 1.00 0.34 O ATOM 1357 CB TYR A 86 1.523 -2.826 7.909 1.00 34.14 C ATOM 1358 CG TYR A 86 2.370 -3.190 9.107 1.00 62.23 C ATOM 1359 CD1 TYR A 86 2.703 -4.513 9.371 1.00 63.23 C ATOM 1360 CD2 TYR A 86 2.836 -2.211 9.977 1.00 24.40 C ATOM 1361 CE1 TYR A 86 3.475 -4.850 10.466 1.00 63.22 C ATOM 1362 CE2 TYR A 86 3.610 -2.539 11.073 1.00 23.05 C ATOM 1363 CZ TYR A 86 3.927 -3.859 11.313 1.00 70.40 C ATOM 1364 OH TYR A 86 4.697 -4.190 12.405 1.00 62.22 O ATOM 0 H TYR A 86 0.455 -2.324 5.743 1.00 75.24 H new ATOM 0 HA TYR A 86 2.943 -1.682 6.771 1.00 72.54 H new ATOM 0 HB2 TYR A 86 0.945 -1.932 8.142 1.00 34.14 H new ATOM 0 HB3 TYR A 86 0.809 -3.628 7.722 1.00 34.14 H new ATOM 0 HD1 TYR A 86 2.352 -5.291 8.709 1.00 63.23 H new ATOM 0 HD2 TYR A 86 2.589 -1.176 9.793 1.00 24.40 H new ATOM 0 HE1 TYR A 86 3.723 -5.883 10.658 1.00 63.22 H new ATOM 0 HE2 TYR A 86 3.965 -1.766 11.738 1.00 23.05 H new ATOM 0 HH TYR A 86 4.933 -3.376 12.897 1.00 62.22 H new ATOM 1374 N CYS A 87 2.745 -4.776 5.700 1.00 23.01 N ATOM 1375 CA CYS A 87 3.528 -5.966 5.385 1.00 4.51 C ATOM 1376 C CYS A 87 4.612 -5.647 4.360 1.00 74.32 C ATOM 1377 O CYS A 87 5.650 -6.309 4.313 1.00 23.01 O ATOM 1378 CB CYS A 87 2.617 -7.074 4.854 1.00 31.25 C ATOM 1379 SG CYS A 87 2.484 -7.120 3.051 1.00 73.04 S ATOM 0 H CYS A 87 1.784 -4.801 5.360 1.00 23.01 H new ATOM 0 HA CYS A 87 4.009 -6.309 6.301 1.00 4.51 H new ATOM 0 HB2 CYS A 87 2.991 -8.036 5.205 1.00 31.25 H new ATOM 0 HB3 CYS A 87 1.621 -6.945 5.278 1.00 31.25 H new ATOM 0 HG CYS A 87 1.749 -6.128 2.645 1.00 73.04 H new ATOM 1385 N VAL A 88 4.365 -4.631 3.541 1.00 3.32 N ATOM 1386 CA VAL A 88 5.319 -4.224 2.516 1.00 64.43 C ATOM 1387 C VAL A 88 6.573 -3.622 3.141 1.00 64.32 C ATOM 1388 O VAL A 88 7.664 -3.711 2.577 1.00 54.42 O ATOM 1389 CB VAL A 88 4.701 -3.200 1.546 1.00 64.21 C ATOM 1390 CG1 VAL A 88 5.720 -2.767 0.505 1.00 1.43 C ATOM 1391 CG2 VAL A 88 3.459 -3.779 0.881 1.00 55.35 C ATOM 0 H VAL A 88 3.511 -4.073 3.567 1.00 3.32 H new ATOM 0 HA VAL A 88 5.587 -5.122 1.960 1.00 64.43 H new ATOM 0 HB VAL A 88 4.404 -2.319 2.116 1.00 64.21 H new ATOM 0 HG11 VAL A 88 5.264 -2.043 -0.171 1.00 1.43 H new ATOM 0 HG12 VAL A 88 6.576 -2.310 1.002 1.00 1.43 H new ATOM 0 HG13 VAL A 88 6.051 -3.636 -0.063 1.00 1.43 H new ATOM 0 HG21 VAL A 88 3.035 -3.042 0.199 1.00 55.35 H new ATOM 0 HG22 VAL A 88 3.729 -4.676 0.324 1.00 55.35 H new ATOM 0 HG23 VAL A 88 2.723 -4.033 1.644 1.00 55.35 H new ATOM 1401 N HIS A 89 6.409 -3.011 4.310 1.00 54.00 N ATOM 1402 CA HIS A 89 7.529 -2.394 5.014 1.00 22.12 C ATOM 1403 C HIS A 89 8.015 -3.290 6.150 1.00 62.32 C ATOM 1404 O HIS A 89 9.229 -3.356 6.338 1.00 2.03 O ATOM 1405 CB HIS A 89 7.122 -1.028 5.566 1.00 41.33 C ATOM 1406 CG HIS A 89 6.637 -0.078 4.514 1.00 75.32 C ATOM 1407 ND1 HIS A 89 7.375 0.247 3.396 1.00 12.52 N ATOM 1408 CD2 HIS A 89 5.480 0.618 4.415 1.00 31.13 C ATOM 1409 CE1 HIS A 89 6.693 1.102 2.655 1.00 21.14 C ATOM 1410 NE2 HIS A 89 5.540 1.343 3.251 1.00 3.10 N ATOM 0 H HIS A 89 5.513 -2.930 4.790 1.00 54.00 H new ATOM 0 HA HIS A 89 8.345 -2.262 4.303 1.00 22.12 H new ATOM 0 HB2 HIS A 89 6.337 -1.165 6.310 1.00 41.33 H new ATOM 0 HB3 HIS A 89 7.975 -0.584 6.080 1.00 41.33 H new ATOM 0 HD2 HIS A 89 4.662 0.605 5.120 1.00 31.13 H new ATOM 0 HE1 HIS A 89 7.023 1.531 1.720 1.00 21.14 H new ATOM 0 HE2 HIS A 89 4.812 1.967 2.903 1.00 3.10 H new ATOM 1419 N GLN A 90 7.131 -3.957 6.886 1.00 1.32 N ATOM 1420 CA GLN A 90 7.549 -4.824 7.981 1.00 41.22 C ATOM 1421 C GLN A 90 7.855 -6.230 7.477 1.00 71.12 C ATOM 1422 O GLN A 90 8.362 -7.070 8.221 1.00 43.40 O ATOM 1423 CB GLN A 90 6.463 -4.881 9.057 1.00 43.10 C ATOM 1424 CG GLN A 90 6.970 -5.354 10.409 1.00 43.54 C ATOM 1425 CD GLN A 90 7.945 -4.379 11.040 1.00 45.10 C ATOM 1426 OE1 GLN A 90 8.147 -3.272 10.538 1.00 63.43 O ATOM 1427 NE2 GLN A 90 8.556 -4.785 12.147 1.00 32.00 N ATOM 0 H GLN A 90 6.122 -3.913 6.744 1.00 1.32 H new ATOM 0 HA GLN A 90 8.459 -4.407 8.413 1.00 41.22 H new ATOM 0 HB2 GLN A 90 6.023 -3.890 9.170 1.00 43.10 H new ATOM 0 HB3 GLN A 90 5.667 -5.547 8.723 1.00 43.10 H new ATOM 0 HG2 GLN A 90 6.123 -5.500 11.079 1.00 43.54 H new ATOM 0 HG3 GLN A 90 7.455 -6.323 10.292 1.00 43.54 H new ATOM 0 HE21 GLN A 90 8.359 -5.710 12.528 1.00 32.00 H new ATOM 0 HE22 GLN A 90 9.222 -4.172 12.616 1.00 32.00 H new ATOM 1436 N ARG A 91 7.545 -6.479 6.209 1.00 75.11 N ATOM 1437 CA ARG A 91 7.786 -7.784 5.605 1.00 71.00 C ATOM 1438 C ARG A 91 6.974 -8.867 6.309 1.00 43.44 C ATOM 1439 O ARG A 91 7.516 -9.888 6.731 1.00 72.44 O ATOM 1440 CB ARG A 91 9.275 -8.129 5.665 1.00 21.25 C ATOM 1441 CG ARG A 91 9.715 -9.114 4.594 1.00 32.21 C ATOM 1442 CD ARG A 91 10.365 -10.346 5.204 1.00 22.44 C ATOM 1443 NE ARG A 91 9.427 -11.461 5.316 1.00 31.30 N ATOM 1444 CZ ARG A 91 9.792 -12.701 5.620 1.00 33.40 C ATOM 1445 NH1 ARG A 91 11.069 -12.984 5.842 1.00 23.41 N ATOM 1446 NH2 ARG A 91 8.880 -13.661 5.704 1.00 74.43 N ATOM 0 H ARG A 91 7.126 -5.794 5.580 1.00 75.11 H new ATOM 0 HA ARG A 91 7.472 -7.738 4.562 1.00 71.00 H new ATOM 0 HB2 ARG A 91 9.856 -7.212 5.565 1.00 21.25 H new ATOM 0 HB3 ARG A 91 9.504 -8.546 6.646 1.00 21.25 H new ATOM 0 HG2 ARG A 91 8.853 -9.413 3.997 1.00 32.21 H new ATOM 0 HG3 ARG A 91 10.418 -8.628 3.917 1.00 32.21 H new ATOM 0 HD2 ARG A 91 11.215 -10.648 4.592 1.00 22.44 H new ATOM 0 HD3 ARG A 91 10.754 -10.099 6.192 1.00 22.44 H new ATOM 0 HE ARG A 91 8.437 -11.277 5.152 1.00 31.30 H new ATOM 0 HH11 ARG A 91 11.773 -12.248 5.779 1.00 23.41 H new ATOM 0 HH12 ARG A 91 11.347 -13.937 6.075 1.00 23.41 H new ATOM 0 HH21 ARG A 91 7.897 -13.447 5.535 1.00 74.43 H new ATOM 0 HH22 ARG A 91 9.162 -14.613 5.938 1.00 74.43 H new ATOM 1460 N ILE A 92 5.671 -8.636 6.433 1.00 4.15 N ATOM 1461 CA ILE A 92 4.784 -9.591 7.084 1.00 61.03 C ATOM 1462 C ILE A 92 4.212 -10.584 6.079 1.00 30.31 C ATOM 1463 O ILE A 92 3.387 -10.227 5.238 1.00 5.24 O ATOM 1464 CB ILE A 92 3.623 -8.881 7.805 1.00 32.24 C ATOM 1465 CG1 ILE A 92 4.157 -7.744 8.680 1.00 65.42 C ATOM 1466 CG2 ILE A 92 2.832 -9.875 8.642 1.00 32.13 C ATOM 1467 CD1 ILE A 92 5.458 -8.077 9.376 1.00 65.02 C ATOM 0 H ILE A 92 5.207 -7.795 6.091 1.00 4.15 H new ATOM 0 HA ILE A 92 5.384 -10.127 7.820 1.00 61.03 H new ATOM 0 HB ILE A 92 2.955 -8.455 7.056 1.00 32.24 H new ATOM 0 HG12 ILE A 92 4.301 -6.858 8.062 1.00 65.42 H new ATOM 0 HG13 ILE A 92 3.408 -7.491 9.430 1.00 65.42 H new ATOM 0 HG21 ILE A 92 2.015 -9.358 9.145 1.00 32.13 H new ATOM 0 HG22 ILE A 92 2.426 -10.653 7.996 1.00 32.13 H new ATOM 0 HG23 ILE A 92 3.488 -10.327 9.386 1.00 32.13 H new ATOM 0 HD11 ILE A 92 5.777 -7.226 9.978 1.00 65.02 H new ATOM 0 HD12 ILE A 92 5.314 -8.944 10.021 1.00 65.02 H new ATOM 0 HD13 ILE A 92 6.222 -8.301 8.632 1.00 65.02 H new ATOM 1479 N ASP A 93 4.654 -11.833 6.172 1.00 70.21 N ATOM 1480 CA ASP A 93 4.183 -12.881 5.273 1.00 12.35 C ATOM 1481 C ASP A 93 2.667 -13.031 5.360 1.00 15.31 C ATOM 1482 O ASP A 93 2.153 -13.750 6.216 1.00 3.31 O ATOM 1483 CB ASP A 93 4.861 -14.211 5.606 1.00 42.51 C ATOM 1484 CG ASP A 93 4.557 -15.287 4.583 1.00 20.35 C ATOM 1485 OD1 ASP A 93 4.919 -15.102 3.401 1.00 52.05 O ATOM 1486 OD2 ASP A 93 3.959 -16.316 4.962 1.00 43.42 O ATOM 0 H ASP A 93 5.338 -12.145 6.861 1.00 70.21 H new ATOM 0 HA ASP A 93 4.443 -12.596 4.254 1.00 12.35 H new ATOM 0 HB2 ASP A 93 5.939 -14.062 5.663 1.00 42.51 H new ATOM 0 HB3 ASP A 93 4.533 -14.546 6.590 1.00 42.51 H new ATOM 1491 N VAL A 94 1.958 -12.348 4.467 1.00 75.32 N ATOM 1492 CA VAL A 94 0.502 -12.406 4.442 1.00 45.25 C ATOM 1493 C VAL A 94 0.002 -13.151 3.210 1.00 4.22 C ATOM 1494 O VAL A 94 0.284 -12.759 2.077 1.00 21.25 O ATOM 1495 CB VAL A 94 -0.116 -10.995 4.461 1.00 60.14 C ATOM 1496 CG1 VAL A 94 0.013 -10.374 5.843 1.00 44.43 C ATOM 1497 CG2 VAL A 94 0.538 -10.113 3.408 1.00 42.41 C ATOM 0 H VAL A 94 2.369 -11.748 3.751 1.00 75.32 H new ATOM 0 HA VAL A 94 0.192 -12.943 5.338 1.00 45.25 H new ATOM 0 HB VAL A 94 -1.177 -11.079 4.224 1.00 60.14 H new ATOM 0 HG11 VAL A 94 -0.429 -9.378 5.837 1.00 44.43 H new ATOM 0 HG12 VAL A 94 -0.506 -10.997 6.572 1.00 44.43 H new ATOM 0 HG13 VAL A 94 1.067 -10.302 6.113 1.00 44.43 H new ATOM 0 HG21 VAL A 94 0.089 -9.120 3.435 1.00 42.41 H new ATOM 0 HG22 VAL A 94 1.606 -10.034 3.611 1.00 42.41 H new ATOM 0 HG23 VAL A 94 0.388 -10.552 2.422 1.00 42.41 H new ATOM 1507 N LYS A 95 -0.742 -14.228 3.437 1.00 42.42 N ATOM 1508 CA LYS A 95 -1.284 -15.029 2.347 1.00 1.22 C ATOM 1509 C LYS A 95 -2.451 -14.313 1.674 1.00 62.42 C ATOM 1510 O LYS A 95 -2.822 -14.635 0.545 1.00 33.52 O ATOM 1511 CB LYS A 95 -1.741 -16.393 2.866 1.00 70.53 C ATOM 1512 CG LYS A 95 -0.670 -17.468 2.776 1.00 63.01 C ATOM 1513 CD LYS A 95 -0.592 -18.059 1.378 1.00 74.14 C ATOM 1514 CE LYS A 95 0.696 -17.657 0.676 1.00 34.33 C ATOM 1515 NZ LYS A 95 1.876 -18.387 1.218 1.00 24.31 N ATOM 0 H LYS A 95 -0.984 -14.566 4.368 1.00 42.42 H new ATOM 0 HA LYS A 95 -0.495 -15.174 1.610 1.00 1.22 H new ATOM 0 HB2 LYS A 95 -2.055 -16.291 3.905 1.00 70.53 H new ATOM 0 HB3 LYS A 95 -2.615 -16.714 2.299 1.00 70.53 H new ATOM 0 HG2 LYS A 95 0.297 -17.044 3.048 1.00 63.01 H new ATOM 0 HG3 LYS A 95 -0.885 -18.258 3.495 1.00 63.01 H new ATOM 0 HD2 LYS A 95 -0.652 -19.146 1.437 1.00 74.14 H new ATOM 0 HD3 LYS A 95 -1.448 -17.724 0.792 1.00 74.14 H new ATOM 0 HE2 LYS A 95 0.605 -17.857 -0.392 1.00 34.33 H new ATOM 0 HE3 LYS A 95 0.850 -16.584 0.788 1.00 34.33 H new ATOM 0 HZ1 LYS A 95 2.733 -18.084 0.713 1.00 24.31 H new ATOM 0 HZ2 LYS A 95 1.979 -18.177 2.231 1.00 24.31 H new ATOM 0 HZ3 LYS A 95 1.741 -19.410 1.089 1.00 24.31 H new ATOM 1529 N ASP A 96 -3.025 -13.340 2.373 1.00 30.31 N ATOM 1530 CA ASP A 96 -4.149 -12.577 1.842 1.00 63.31 C ATOM 1531 C ASP A 96 -4.462 -11.379 2.733 1.00 31.31 C ATOM 1532 O ASP A 96 -3.850 -11.198 3.787 1.00 61.34 O ATOM 1533 CB ASP A 96 -5.384 -13.470 1.715 1.00 2.11 C ATOM 1534 CG ASP A 96 -5.553 -14.397 2.902 1.00 23.54 C ATOM 1535 OD1 ASP A 96 -5.899 -13.905 3.996 1.00 34.40 O ATOM 1536 OD2 ASP A 96 -5.341 -15.618 2.736 1.00 4.52 O ATOM 0 H ASP A 96 -2.731 -13.061 3.309 1.00 30.31 H new ATOM 0 HA ASP A 96 -3.872 -12.210 0.854 1.00 63.31 H new ATOM 0 HB2 ASP A 96 -6.272 -12.845 1.616 1.00 2.11 H new ATOM 0 HB3 ASP A 96 -5.308 -14.062 0.803 1.00 2.11 H new ATOM 1541 N THR A 97 -5.417 -10.561 2.303 1.00 70.32 N ATOM 1542 CA THR A 97 -5.809 -9.379 3.059 1.00 63.34 C ATOM 1543 C THR A 97 -6.200 -9.745 4.487 1.00 54.43 C ATOM 1544 O THR A 97 -5.908 -9.008 5.430 1.00 30.21 O ATOM 1545 CB THR A 97 -6.988 -8.648 2.389 1.00 23.13 C ATOM 1546 OG1 THR A 97 -6.659 -8.331 1.032 1.00 3.21 O ATOM 1547 CG2 THR A 97 -7.335 -7.373 3.143 1.00 72.45 C ATOM 0 H THR A 97 -5.934 -10.696 1.434 1.00 70.32 H new ATOM 0 HA THR A 97 -4.944 -8.716 3.079 1.00 63.34 H new ATOM 0 HB THR A 97 -7.855 -9.309 2.408 1.00 23.13 H new ATOM 0 HG1 THR A 97 -7.308 -8.753 0.431 1.00 3.21 H new ATOM 0 HG21 THR A 97 -8.170 -6.875 2.651 1.00 72.45 H new ATOM 0 HG22 THR A 97 -7.613 -7.620 4.168 1.00 72.45 H new ATOM 0 HG23 THR A 97 -6.471 -6.709 3.152 1.00 72.45 H new ATOM 1555 N LYS A 98 -6.860 -10.887 4.642 1.00 31.01 N ATOM 1556 CA LYS A 98 -7.289 -11.353 5.955 1.00 14.41 C ATOM 1557 C LYS A 98 -6.087 -11.628 6.853 1.00 74.34 C ATOM 1558 O LYS A 98 -6.042 -11.182 7.999 1.00 62.15 O ATOM 1559 CB LYS A 98 -8.137 -12.619 5.818 1.00 44.32 C ATOM 1560 CG LYS A 98 -8.922 -12.963 7.072 1.00 74.23 C ATOM 1561 CD LYS A 98 -8.322 -14.158 7.795 1.00 12.24 C ATOM 1562 CE LYS A 98 -8.519 -15.443 7.007 1.00 31.53 C ATOM 1563 NZ LYS A 98 -8.735 -16.614 7.900 1.00 60.44 N ATOM 0 H LYS A 98 -7.110 -11.508 3.873 1.00 31.01 H new ATOM 0 HA LYS A 98 -7.891 -10.568 6.413 1.00 14.41 H new ATOM 0 HB2 LYS A 98 -8.832 -12.493 4.988 1.00 44.32 H new ATOM 0 HB3 LYS A 98 -7.487 -13.456 5.565 1.00 44.32 H new ATOM 0 HG2 LYS A 98 -8.937 -12.102 7.740 1.00 74.23 H new ATOM 0 HG3 LYS A 98 -9.957 -13.179 6.807 1.00 74.23 H new ATOM 0 HD2 LYS A 98 -7.257 -13.989 7.957 1.00 12.24 H new ATOM 0 HD3 LYS A 98 -8.782 -14.259 8.778 1.00 12.24 H new ATOM 0 HE2 LYS A 98 -9.374 -15.332 6.340 1.00 31.53 H new ATOM 0 HE3 LYS A 98 -7.646 -15.621 6.379 1.00 31.53 H new ATOM 0 HZ1 LYS A 98 -8.865 -17.470 7.324 1.00 60.44 H new ATOM 0 HZ2 LYS A 98 -7.908 -16.735 8.519 1.00 60.44 H new ATOM 0 HZ3 LYS A 98 -9.583 -16.456 8.481 1.00 60.44 H new ATOM 1577 N GLU A 99 -5.114 -12.365 6.324 1.00 42.13 N ATOM 1578 CA GLU A 99 -3.913 -12.698 7.079 1.00 54.44 C ATOM 1579 C GLU A 99 -3.262 -11.441 7.649 1.00 51.54 C ATOM 1580 O GLU A 99 -2.680 -11.467 8.734 1.00 23.12 O ATOM 1581 CB GLU A 99 -2.915 -13.443 6.190 1.00 11.51 C ATOM 1582 CG GLU A 99 -3.117 -14.948 6.178 1.00 23.44 C ATOM 1583 CD GLU A 99 -1.954 -15.698 6.797 1.00 21.54 C ATOM 1584 OE1 GLU A 99 -1.634 -15.431 7.974 1.00 54.20 O ATOM 1585 OE2 GLU A 99 -1.364 -16.554 6.104 1.00 33.11 O ATOM 0 H GLU A 99 -5.135 -12.742 5.376 1.00 42.13 H new ATOM 0 HA GLU A 99 -4.204 -13.344 7.908 1.00 54.44 H new ATOM 0 HB2 GLU A 99 -2.997 -13.066 5.171 1.00 11.51 H new ATOM 0 HB3 GLU A 99 -1.903 -13.223 6.531 1.00 11.51 H new ATOM 0 HG2 GLU A 99 -4.031 -15.192 6.719 1.00 23.44 H new ATOM 0 HG3 GLU A 99 -3.255 -15.284 5.150 1.00 23.44 H new ATOM 1592 N ALA A 100 -3.364 -10.341 6.911 1.00 4.14 N ATOM 1593 CA ALA A 100 -2.788 -9.073 7.342 1.00 63.44 C ATOM 1594 C ALA A 100 -3.531 -8.517 8.553 1.00 51.21 C ATOM 1595 O ALA A 100 -2.914 -8.048 9.510 1.00 14.21 O ATOM 1596 CB ALA A 100 -2.809 -8.068 6.200 1.00 54.11 C ATOM 0 H ALA A 100 -3.841 -10.302 6.010 1.00 4.14 H new ATOM 0 HA ALA A 100 -1.753 -9.252 7.634 1.00 63.44 H new ATOM 0 HB1 ALA A 100 -2.376 -7.126 6.536 1.00 54.11 H new ATOM 0 HB2 ALA A 100 -2.228 -8.456 5.363 1.00 54.11 H new ATOM 0 HB3 ALA A 100 -3.838 -7.901 5.881 1.00 54.11 H new ATOM 1602 N LEU A 101 -4.857 -8.572 8.504 1.00 44.24 N ATOM 1603 CA LEU A 101 -5.684 -8.073 9.597 1.00 11.11 C ATOM 1604 C LEU A 101 -5.768 -9.094 10.727 1.00 60.02 C ATOM 1605 O LEU A 101 -6.265 -8.795 11.812 1.00 41.14 O ATOM 1606 CB LEU A 101 -7.088 -7.739 9.089 1.00 61.44 C ATOM 1607 CG LEU A 101 -7.159 -6.904 7.811 1.00 55.52 C ATOM 1608 CD1 LEU A 101 -8.273 -7.406 6.905 1.00 74.03 C ATOM 1609 CD2 LEU A 101 -7.365 -5.433 8.147 1.00 30.32 C ATOM 0 H LEU A 101 -5.383 -8.957 7.719 1.00 44.24 H new ATOM 0 HA LEU A 101 -5.220 -7.167 9.986 1.00 11.11 H new ATOM 0 HB2 LEU A 101 -7.623 -8.673 8.919 1.00 61.44 H new ATOM 0 HB3 LEU A 101 -7.620 -7.206 9.877 1.00 61.44 H new ATOM 0 HG LEU A 101 -6.213 -7.007 7.280 1.00 55.52 H new ATOM 0 HD11 LEU A 101 -8.308 -6.799 6.000 1.00 74.03 H new ATOM 0 HD12 LEU A 101 -8.084 -8.446 6.637 1.00 74.03 H new ATOM 0 HD13 LEU A 101 -9.227 -7.334 7.427 1.00 74.03 H new ATOM 0 HD21 LEU A 101 -7.413 -4.853 7.226 1.00 30.32 H new ATOM 0 HD22 LEU A 101 -8.296 -5.313 8.701 1.00 30.32 H new ATOM 0 HD23 LEU A 101 -6.533 -5.079 8.756 1.00 30.32 H new ATOM 1621 N ASP A 102 -5.278 -10.300 10.464 1.00 62.53 N ATOM 1622 CA ASP A 102 -5.295 -11.366 11.460 1.00 15.11 C ATOM 1623 C ASP A 102 -3.908 -11.566 12.065 1.00 62.23 C ATOM 1624 O ASP A 102 -3.698 -12.467 12.877 1.00 73.42 O ATOM 1625 CB ASP A 102 -5.784 -12.673 10.832 1.00 14.44 C ATOM 1626 CG ASP A 102 -6.073 -13.740 11.868 1.00 42.33 C ATOM 1627 OD1 ASP A 102 -7.214 -13.781 12.375 1.00 4.55 O ATOM 1628 OD2 ASP A 102 -5.160 -14.534 12.175 1.00 33.44 O ATOM 0 H ASP A 102 -4.864 -10.564 9.570 1.00 62.53 H new ATOM 0 HA ASP A 102 -5.981 -11.075 12.256 1.00 15.11 H new ATOM 0 HB2 ASP A 102 -6.687 -12.479 10.253 1.00 14.44 H new ATOM 0 HB3 ASP A 102 -5.031 -13.042 10.135 1.00 14.44 H new ATOM 1633 N LYS A 103 -2.966 -10.720 11.664 1.00 35.00 N ATOM 1634 CA LYS A 103 -1.600 -10.802 12.166 1.00 72.11 C ATOM 1635 C LYS A 103 -1.222 -9.534 12.926 1.00 31.04 C ATOM 1636 O LYS A 103 -0.482 -9.586 13.909 1.00 13.34 O ATOM 1637 CB LYS A 103 -0.622 -11.027 11.010 1.00 41.05 C ATOM 1638 CG LYS A 103 -0.564 -12.469 10.535 1.00 70.44 C ATOM 1639 CD LYS A 103 0.488 -13.263 11.292 1.00 33.01 C ATOM 1640 CE LYS A 103 -0.139 -14.382 12.109 1.00 24.42 C ATOM 1641 NZ LYS A 103 0.665 -14.703 13.321 1.00 20.44 N ATOM 0 H LYS A 103 -3.124 -9.969 10.992 1.00 35.00 H new ATOM 0 HA LYS A 103 -1.542 -11.647 12.852 1.00 72.11 H new ATOM 0 HB2 LYS A 103 -0.908 -10.389 10.174 1.00 41.05 H new ATOM 0 HB3 LYS A 103 0.375 -10.716 11.322 1.00 41.05 H new ATOM 0 HG2 LYS A 103 -1.540 -12.936 10.668 1.00 70.44 H new ATOM 0 HG3 LYS A 103 -0.342 -12.493 9.468 1.00 70.44 H new ATOM 0 HD2 LYS A 103 1.205 -13.684 10.587 1.00 33.01 H new ATOM 0 HD3 LYS A 103 1.043 -12.597 11.952 1.00 33.01 H new ATOM 0 HE2 LYS A 103 -1.146 -14.092 12.408 1.00 24.42 H new ATOM 0 HE3 LYS A 103 -0.234 -15.274 11.490 1.00 24.42 H new ATOM 0 HZ1 LYS A 103 0.204 -15.470 13.850 1.00 20.44 H new ATOM 0 HZ2 LYS A 103 1.619 -15.004 13.035 1.00 20.44 H new ATOM 0 HZ3 LYS A 103 0.735 -13.859 13.925 1.00 20.44 H new