USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 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 -61:sc= 1.38 USER MOD Set 1.2: A 97 THR OG1 : rot -116:sc= -0.251 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 3.1: A 57 CYS SG : rot 110:sc= -0.366 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -0.708 K(o=-1.1,f=-3.4!) 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+ 159:sc= -0.17 (180deg=-1.01) USER MOD Single : A 28 GLN : amide:sc= -0.0793 K(o=-0.079,f=-0.84) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0.701 (180deg=0.679) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.0386 K(o=0.039,f=-4.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0152 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=-0.05) USER MOD Single : A 65 GLN : amide:sc= -2.39 K(o=-2.4,f=-3.4) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.2!) 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 80 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 87 CYS SG : rot 61:sc= 0.286 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+ -178:sc= 0 (180deg=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.467 6.146 -3.374 1.00 31.50 N ATOM 64 CA ARG A 7 7.703 5.831 -2.669 1.00 55.40 C ATOM 65 C ARG A 7 8.155 4.406 -2.974 1.00 32.11 C ATOM 66 O ARG A 7 9.349 4.104 -2.955 1.00 70.33 O ATOM 67 CB ARG A 7 7.515 6.007 -1.161 1.00 33.24 C ATOM 68 CG ARG A 7 8.125 7.288 -0.616 1.00 25.24 C ATOM 69 CD ARG A 7 7.422 8.518 -1.170 1.00 4.11 C ATOM 70 NE ARG A 7 8.346 9.628 -1.381 1.00 54.24 N ATOM 71 CZ ARG A 7 8.738 10.452 -0.415 1.00 11.40 C ATOM 72 NH1 ARG A 7 8.287 10.290 0.822 1.00 13.33 N ATOM 73 NH2 ARG A 7 9.582 11.439 -0.685 1.00 41.23 N ATOM 0 HA ARG A 7 8.474 6.520 -3.014 1.00 55.40 H new ATOM 0 HB2 ARG A 7 6.449 5.996 -0.933 1.00 33.24 H new ATOM 0 HB3 ARG A 7 7.960 5.155 -0.646 1.00 33.24 H new ATOM 0 HG2 ARG A 7 8.060 7.289 0.472 1.00 25.24 H new ATOM 0 HG3 ARG A 7 9.184 7.326 -0.872 1.00 25.24 H new ATOM 0 HD2 ARG A 7 6.938 8.265 -2.113 1.00 4.11 H new ATOM 0 HD3 ARG A 7 6.636 8.827 -0.481 1.00 4.11 H new ATOM 0 HE ARG A 7 8.711 9.779 -2.321 1.00 54.24 H new ATOM 0 HH11 ARG A 7 7.638 9.532 1.033 1.00 13.33 H new ATOM 0 HH12 ARG A 7 8.589 10.924 1.562 1.00 13.33 H new ATOM 0 HH21 ARG A 7 9.931 11.566 -1.635 1.00 41.23 H new ATOM 0 HH22 ARG A 7 9.882 12.071 0.057 1.00 41.23 H new ATOM 87 N LEU A 8 7.193 3.533 -3.253 1.00 41.20 N ATOM 88 CA LEU A 8 7.491 2.138 -3.561 1.00 32.10 C ATOM 89 C LEU A 8 7.971 1.989 -5.001 1.00 13.03 C ATOM 90 O LEU A 8 7.387 2.559 -5.922 1.00 35.21 O ATOM 91 CB LEU A 8 6.253 1.269 -3.331 1.00 34.20 C ATOM 92 CG LEU A 8 5.578 1.412 -1.967 1.00 25.15 C ATOM 93 CD1 LEU A 8 4.467 0.383 -1.812 1.00 70.03 C ATOM 94 CD2 LEU A 8 6.598 1.270 -0.848 1.00 75.02 C ATOM 0 H LEU A 8 6.200 3.766 -3.272 1.00 41.20 H new ATOM 0 HA LEU A 8 8.288 1.807 -2.896 1.00 32.10 H new ATOM 0 HB2 LEU A 8 5.520 1.504 -4.103 1.00 34.20 H new ATOM 0 HB3 LEU A 8 6.536 0.225 -3.467 1.00 34.20 H new ATOM 0 HG LEU A 8 5.137 2.407 -1.904 1.00 25.15 H new ATOM 0 HD11 LEU A 8 3.997 0.499 -0.835 1.00 70.03 H new ATOM 0 HD12 LEU A 8 3.722 0.532 -2.593 1.00 70.03 H new ATOM 0 HD13 LEU A 8 4.886 -0.620 -1.896 1.00 70.03 H new ATOM 0 HD21 LEU A 8 6.098 1.375 0.115 1.00 75.02 H new ATOM 0 HD22 LEU A 8 7.069 0.289 -0.908 1.00 75.02 H new ATOM 0 HD23 LEU A 8 7.358 2.044 -0.948 1.00 75.02 H new ATOM 106 N SER A 9 9.038 1.219 -5.187 1.00 70.30 N ATOM 107 CA SER A 9 9.598 0.995 -6.514 1.00 11.43 C ATOM 108 C SER A 9 9.301 -0.420 -6.999 1.00 60.52 C ATOM 109 O SER A 9 8.609 -1.185 -6.328 1.00 74.44 O ATOM 110 CB SER A 9 11.109 1.236 -6.502 1.00 42.14 C ATOM 111 OG SER A 9 11.519 1.969 -7.643 1.00 65.21 O ATOM 0 H SER A 9 9.532 0.739 -4.435 1.00 70.30 H new ATOM 0 HA SER A 9 9.131 1.701 -7.201 1.00 11.43 H new ATOM 0 HB2 SER A 9 11.386 1.779 -5.598 1.00 42.14 H new ATOM 0 HB3 SER A 9 11.632 0.280 -6.473 1.00 42.14 H new ATOM 0 HG SER A 9 12.488 2.111 -7.610 1.00 65.21 H new ATOM 117 N GLY A 10 9.830 -0.763 -8.169 1.00 33.31 N ATOM 118 CA GLY A 10 9.612 -2.086 -8.724 1.00 31.21 C ATOM 119 C GLY A 10 9.843 -3.186 -7.707 1.00 31.32 C ATOM 120 O GLY A 10 9.055 -4.126 -7.611 1.00 60.42 O ATOM 0 H GLY A 10 10.406 -0.148 -8.743 1.00 33.31 H new ATOM 0 HA2 GLY A 10 8.592 -2.154 -9.103 1.00 31.21 H new ATOM 0 HA3 GLY A 10 10.279 -2.235 -9.573 1.00 31.21 H new ATOM 124 N GLY A 11 10.928 -3.070 -6.948 1.00 73.22 N ATOM 125 CA GLY A 11 11.242 -4.072 -5.945 1.00 44.41 C ATOM 126 C GLY A 11 10.124 -4.253 -4.938 1.00 32.54 C ATOM 127 O GLY A 11 9.603 -5.356 -4.775 1.00 45.34 O ATOM 0 H GLY A 11 11.595 -2.301 -7.009 1.00 73.22 H new ATOM 0 HA2 GLY A 11 11.442 -5.024 -6.437 1.00 44.41 H new ATOM 0 HA3 GLY A 11 12.155 -3.785 -5.423 1.00 44.41 H new ATOM 131 N GLU A 12 9.756 -3.171 -4.261 1.00 11.43 N ATOM 132 CA GLU A 12 8.694 -3.217 -3.263 1.00 35.44 C ATOM 133 C GLU A 12 7.349 -3.523 -3.915 1.00 22.04 C ATOM 134 O GLU A 12 6.406 -3.951 -3.248 1.00 3.41 O ATOM 135 CB GLU A 12 8.617 -1.891 -2.506 1.00 63.25 C ATOM 136 CG GLU A 12 8.701 -2.046 -0.997 1.00 73.55 C ATOM 137 CD GLU A 12 9.344 -0.849 -0.322 1.00 71.53 C ATOM 138 OE1 GLU A 12 9.638 0.140 -1.023 1.00 43.51 O ATOM 139 OE2 GLU A 12 9.554 -0.905 0.908 1.00 5.10 O ATOM 0 H GLU A 12 10.178 -2.251 -4.385 1.00 11.43 H new ATOM 0 HA GLU A 12 8.927 -4.015 -2.558 1.00 35.44 H new ATOM 0 HB2 GLU A 12 9.427 -1.243 -2.842 1.00 63.25 H new ATOM 0 HB3 GLU A 12 7.682 -1.391 -2.760 1.00 63.25 H new ATOM 0 HG2 GLU A 12 7.699 -2.190 -0.594 1.00 73.55 H new ATOM 0 HG3 GLU A 12 9.273 -2.943 -0.759 1.00 73.55 H new ATOM 146 N LEU A 13 7.267 -3.299 -5.222 1.00 62.21 N ATOM 147 CA LEU A 13 6.036 -3.549 -5.965 1.00 31.20 C ATOM 148 C LEU A 13 5.759 -5.046 -6.072 1.00 12.34 C ATOM 149 O LEU A 13 4.617 -5.486 -5.944 1.00 62.31 O ATOM 150 CB LEU A 13 6.128 -2.935 -7.363 1.00 71.21 C ATOM 151 CG LEU A 13 4.812 -2.823 -8.135 1.00 53.10 C ATOM 152 CD1 LEU A 13 3.916 -1.766 -7.509 1.00 22.43 C ATOM 153 CD2 LEU A 13 5.079 -2.501 -9.598 1.00 1.05 C ATOM 0 H LEU A 13 8.037 -2.945 -5.789 1.00 62.21 H new ATOM 0 HA LEU A 13 5.213 -3.084 -5.423 1.00 31.20 H new ATOM 0 HB2 LEU A 13 6.559 -1.938 -7.272 1.00 71.21 H new ATOM 0 HB3 LEU A 13 6.824 -3.530 -7.954 1.00 71.21 H new ATOM 0 HG LEU A 13 4.298 -3.783 -8.083 1.00 53.10 H new ATOM 0 HD11 LEU A 13 2.984 -1.700 -8.071 1.00 22.43 H new ATOM 0 HD12 LEU A 13 3.698 -2.039 -6.476 1.00 22.43 H new ATOM 0 HD13 LEU A 13 4.422 -0.801 -7.530 1.00 22.43 H new ATOM 0 HD21 LEU A 13 4.132 -2.425 -10.132 1.00 1.05 H new ATOM 0 HD22 LEU A 13 5.614 -1.554 -9.670 1.00 1.05 H new ATOM 0 HD23 LEU A 13 5.683 -3.293 -10.041 1.00 1.05 H new ATOM 165 N ASP A 14 6.812 -5.821 -6.305 1.00 30.43 N ATOM 166 CA ASP A 14 6.683 -7.269 -6.425 1.00 15.53 C ATOM 167 C ASP A 14 5.889 -7.843 -5.257 1.00 42.45 C ATOM 168 O ASP A 14 5.000 -8.674 -5.444 1.00 63.14 O ATOM 169 CB ASP A 14 8.065 -7.922 -6.489 1.00 25.32 C ATOM 170 CG ASP A 14 8.259 -8.744 -7.748 1.00 71.32 C ATOM 171 OD1 ASP A 14 7.268 -9.328 -8.233 1.00 73.22 O ATOM 172 OD2 ASP A 14 9.403 -8.805 -8.246 1.00 2.11 O ATOM 0 H ASP A 14 7.764 -5.472 -6.415 1.00 30.43 H new ATOM 0 HA ASP A 14 6.144 -7.486 -7.348 1.00 15.53 H new ATOM 0 HB2 ASP A 14 8.832 -7.149 -6.442 1.00 25.32 H new ATOM 0 HB3 ASP A 14 8.203 -8.561 -5.617 1.00 25.32 H new ATOM 177 N LYS A 15 6.216 -7.395 -4.049 1.00 4.13 N ATOM 178 CA LYS A 15 5.533 -7.863 -2.848 1.00 33.23 C ATOM 179 C LYS A 15 4.129 -7.276 -2.757 1.00 42.24 C ATOM 180 O LYS A 15 3.167 -7.986 -2.462 1.00 52.41 O ATOM 181 CB LYS A 15 6.337 -7.488 -1.601 1.00 53.11 C ATOM 182 CG LYS A 15 7.016 -8.672 -0.936 1.00 43.04 C ATOM 183 CD LYS A 15 8.128 -8.225 -0.002 1.00 52.23 C ATOM 184 CE LYS A 15 9.500 -8.544 -0.575 1.00 10.12 C ATOM 185 NZ LYS A 15 10.595 -7.963 0.250 1.00 44.32 N ATOM 0 H LYS A 15 6.950 -6.708 -3.876 1.00 4.13 H new ATOM 0 HA LYS A 15 5.450 -8.948 -2.906 1.00 33.23 H new ATOM 0 HB2 LYS A 15 7.094 -6.753 -1.874 1.00 53.11 H new ATOM 0 HB3 LYS A 15 5.673 -7.009 -0.881 1.00 53.11 H new ATOM 0 HG2 LYS A 15 6.279 -9.248 -0.376 1.00 43.04 H new ATOM 0 HG3 LYS A 15 7.425 -9.334 -1.699 1.00 43.04 H new ATOM 0 HD2 LYS A 15 8.047 -7.152 0.175 1.00 52.23 H new ATOM 0 HD3 LYS A 15 8.013 -8.717 0.964 1.00 52.23 H new ATOM 0 HE2 LYS A 15 9.626 -9.625 -0.636 1.00 10.12 H new ATOM 0 HE3 LYS A 15 9.568 -8.158 -1.592 1.00 10.12 H new ATOM 0 HZ1 LYS A 15 11.514 -8.203 -0.174 1.00 44.32 H new ATOM 0 HZ2 LYS A 15 10.490 -6.929 0.287 1.00 44.32 H new ATOM 0 HZ3 LYS A 15 10.547 -8.351 1.214 1.00 44.32 H new ATOM 199 N TRP A 16 4.018 -5.977 -3.012 1.00 40.14 N ATOM 200 CA TRP A 16 2.730 -5.295 -2.959 1.00 54.42 C ATOM 201 C TRP A 16 1.704 -6.001 -3.838 1.00 63.40 C ATOM 202 O TRP A 16 0.529 -6.093 -3.483 1.00 12.04 O ATOM 203 CB TRP A 16 2.882 -3.839 -3.401 1.00 12.35 C ATOM 204 CG TRP A 16 1.577 -3.108 -3.500 1.00 71.03 C ATOM 205 CD1 TRP A 16 1.009 -2.595 -4.630 1.00 23.13 C ATOM 206 CD2 TRP A 16 0.680 -2.808 -2.426 1.00 75.24 C ATOM 207 NE1 TRP A 16 -0.189 -1.994 -4.324 1.00 52.34 N ATOM 208 CE2 TRP A 16 -0.413 -2.112 -2.977 1.00 12.41 C ATOM 209 CE3 TRP A 16 0.692 -3.061 -1.052 1.00 75.24 C ATOM 210 CZ2 TRP A 16 -1.480 -1.667 -2.202 1.00 54.44 C ATOM 211 CZ3 TRP A 16 -0.367 -2.619 -0.283 1.00 55.42 C ATOM 212 CH2 TRP A 16 -1.441 -1.928 -0.859 1.00 41.03 C ATOM 0 H TRP A 16 4.804 -5.375 -3.257 1.00 40.14 H new ATOM 0 HA TRP A 16 2.376 -5.319 -1.928 1.00 54.42 H new ATOM 0 HB2 TRP A 16 3.529 -3.318 -2.695 1.00 12.35 H new ATOM 0 HB3 TRP A 16 3.380 -3.811 -4.370 1.00 12.35 H new ATOM 0 HD1 TRP A 16 1.438 -2.653 -5.620 1.00 23.13 H new ATOM 0 HE1 TRP A 16 -0.810 -1.535 -4.991 1.00 52.34 H new ATOM 0 HE3 TRP A 16 1.515 -3.593 -0.599 1.00 75.24 H new ATOM 0 HZ2 TRP A 16 -2.309 -1.135 -2.645 1.00 54.44 H new ATOM 0 HZ3 TRP A 16 -0.367 -2.809 0.780 1.00 55.42 H new ATOM 0 HH2 TRP A 16 -2.254 -1.595 -0.231 1.00 41.03 H new ATOM 223 N GLU A 17 2.156 -6.499 -4.985 1.00 61.42 N ATOM 224 CA GLU A 17 1.274 -7.197 -5.914 1.00 43.15 C ATOM 225 C GLU A 17 1.235 -8.692 -5.607 1.00 32.03 C ATOM 226 O GLU A 17 0.408 -9.427 -6.148 1.00 12.43 O ATOM 227 CB GLU A 17 1.735 -6.973 -7.355 1.00 51.40 C ATOM 228 CG GLU A 17 1.526 -5.550 -7.846 1.00 31.31 C ATOM 229 CD GLU A 17 1.550 -5.445 -9.358 1.00 23.23 C ATOM 230 OE1 GLU A 17 0.715 -6.106 -10.011 1.00 44.11 O ATOM 231 OE2 GLU A 17 2.402 -4.704 -9.890 1.00 51.31 O ATOM 0 H GLU A 17 3.126 -6.432 -5.293 1.00 61.42 H new ATOM 0 HA GLU A 17 0.269 -6.793 -5.795 1.00 43.15 H new ATOM 0 HB2 GLU A 17 2.793 -7.224 -7.432 1.00 51.40 H new ATOM 0 HB3 GLU A 17 1.197 -7.657 -8.011 1.00 51.40 H new ATOM 0 HG2 GLU A 17 0.571 -5.178 -7.475 1.00 31.31 H new ATOM 0 HG3 GLU A 17 2.302 -4.908 -7.429 1.00 31.31 H new ATOM 238 N LYS A 18 2.135 -9.135 -4.736 1.00 32.13 N ATOM 239 CA LYS A 18 2.206 -10.541 -4.356 1.00 62.41 C ATOM 240 C LYS A 18 1.089 -10.896 -3.378 1.00 15.11 C ATOM 241 O LYS A 18 0.698 -12.058 -3.265 1.00 4.14 O ATOM 242 CB LYS A 18 3.566 -10.854 -3.729 1.00 32.24 C ATOM 243 CG LYS A 18 3.722 -12.305 -3.308 1.00 70.25 C ATOM 244 CD LYS A 18 5.185 -12.692 -3.172 1.00 11.52 C ATOM 245 CE LYS A 18 5.357 -13.927 -2.301 1.00 4.22 C ATOM 246 NZ LYS A 18 6.765 -14.412 -2.299 1.00 61.23 N ATOM 0 H LYS A 18 2.826 -8.540 -4.279 1.00 32.13 H new ATOM 0 HA LYS A 18 2.082 -11.142 -5.257 1.00 62.41 H new ATOM 0 HB2 LYS A 18 4.352 -10.605 -4.442 1.00 32.24 H new ATOM 0 HB3 LYS A 18 3.711 -10.214 -2.859 1.00 32.24 H new ATOM 0 HG2 LYS A 18 3.212 -12.466 -2.358 1.00 70.25 H new ATOM 0 HG3 LYS A 18 3.240 -12.951 -4.042 1.00 70.25 H new ATOM 0 HD2 LYS A 18 5.606 -12.881 -4.160 1.00 11.52 H new ATOM 0 HD3 LYS A 18 5.744 -11.861 -2.741 1.00 11.52 H new ATOM 0 HE2 LYS A 18 5.050 -13.697 -1.281 1.00 4.22 H new ATOM 0 HE3 LYS A 18 4.700 -14.719 -2.660 1.00 4.22 H new ATOM 0 HZ1 LYS A 18 6.841 -15.255 -1.694 1.00 61.23 H new ATOM 0 HZ2 LYS A 18 7.050 -14.655 -3.269 1.00 61.23 H new ATOM 0 HZ3 LYS A 18 7.389 -13.665 -1.932 1.00 61.23 H new ATOM 260 N ILE A 19 0.583 -9.890 -2.675 1.00 0.25 N ATOM 261 CA ILE A 19 -0.490 -10.097 -1.709 1.00 13.25 C ATOM 262 C ILE A 19 -1.849 -10.134 -2.398 1.00 64.42 C ATOM 263 O ILE A 19 -2.134 -9.324 -3.279 1.00 14.15 O ATOM 264 CB ILE A 19 -0.500 -8.993 -0.635 1.00 24.33 C ATOM 265 CG1 ILE A 19 0.847 -8.939 0.086 1.00 34.11 C ATOM 266 CG2 ILE A 19 -1.629 -9.231 0.356 1.00 43.41 C ATOM 267 CD1 ILE A 19 1.408 -7.541 0.213 1.00 54.21 C ATOM 0 H ILE A 19 0.898 -8.923 -2.755 1.00 0.25 H new ATOM 0 HA ILE A 19 -0.303 -11.058 -1.229 1.00 13.25 H new ATOM 0 HB ILE A 19 -0.667 -8.033 -1.123 1.00 24.33 H new ATOM 0 HG12 ILE A 19 0.735 -9.369 1.081 1.00 34.11 H new ATOM 0 HG13 ILE A 19 1.563 -9.562 -0.451 1.00 34.11 H new ATOM 0 HG21 ILE A 19 -1.624 -8.443 1.109 1.00 43.41 H new ATOM 0 HG22 ILE A 19 -2.583 -9.223 -0.171 1.00 43.41 H new ATOM 0 HG23 ILE A 19 -1.490 -10.197 0.841 1.00 43.41 H new ATOM 0 HD11 ILE A 19 2.364 -7.579 0.735 1.00 54.21 H new ATOM 0 HD12 ILE A 19 1.553 -7.115 -0.780 1.00 54.21 H new ATOM 0 HD13 ILE A 19 0.712 -6.919 0.776 1.00 54.21 H new ATOM 279 N ARG A 20 -2.688 -11.081 -1.988 1.00 50.31 N ATOM 280 CA ARG A 20 -4.019 -11.224 -2.565 1.00 61.54 C ATOM 281 C ARG A 20 -5.058 -10.483 -1.727 1.00 11.42 C ATOM 282 O ARG A 20 -4.897 -10.327 -0.516 1.00 4.21 O ATOM 283 CB ARG A 20 -4.396 -12.703 -2.671 1.00 20.11 C ATOM 284 CG ARG A 20 -4.054 -13.323 -4.015 1.00 22.14 C ATOM 285 CD ARG A 20 -3.599 -14.766 -3.864 1.00 24.14 C ATOM 286 NE ARG A 20 -2.161 -14.911 -4.070 1.00 32.15 N ATOM 287 CZ ARG A 20 -1.491 -16.030 -3.816 1.00 21.14 C ATOM 288 NH1 ARG A 20 -2.127 -17.096 -3.349 1.00 53.02 N ATOM 289 NH2 ARG A 20 -0.183 -16.085 -4.029 1.00 12.53 N ATOM 0 H ARG A 20 -2.469 -11.760 -1.259 1.00 50.31 H new ATOM 0 HA ARG A 20 -4.003 -10.787 -3.563 1.00 61.54 H new ATOM 0 HB2 ARG A 20 -3.884 -13.257 -1.884 1.00 20.11 H new ATOM 0 HB3 ARG A 20 -5.466 -12.810 -2.492 1.00 20.11 H new ATOM 0 HG2 ARG A 20 -4.926 -13.282 -4.668 1.00 22.14 H new ATOM 0 HG3 ARG A 20 -3.268 -12.741 -4.496 1.00 22.14 H new ATOM 0 HD2 ARG A 20 -3.861 -15.126 -2.869 1.00 24.14 H new ATOM 0 HD3 ARG A 20 -4.133 -15.391 -4.580 1.00 24.14 H new ATOM 0 HE ARG A 20 -1.642 -14.109 -4.429 1.00 32.15 H new ATOM 0 HH11 ARG A 20 -3.133 -17.058 -3.184 1.00 53.02 H new ATOM 0 HH12 ARG A 20 -1.610 -17.954 -3.155 1.00 53.02 H new ATOM 0 HH21 ARG A 20 0.310 -15.268 -4.388 1.00 12.53 H new ATOM 0 HH22 ARG A 20 0.330 -16.945 -3.833 1.00 12.53 H new ATOM 303 N LEU A 21 -6.122 -10.028 -2.380 1.00 33.33 N ATOM 304 CA LEU A 21 -7.186 -9.303 -1.696 1.00 43.43 C ATOM 305 C LEU A 21 -8.045 -10.250 -0.867 1.00 62.54 C ATOM 306 O LEU A 21 -8.459 -9.918 0.245 1.00 21.22 O ATOM 307 CB LEU A 21 -8.059 -8.561 -2.711 1.00 12.12 C ATOM 308 CG LEU A 21 -7.394 -7.393 -3.440 1.00 0.43 C ATOM 309 CD1 LEU A 21 -8.242 -6.951 -4.623 1.00 40.31 C ATOM 310 CD2 LEU A 21 -7.160 -6.231 -2.485 1.00 31.41 C ATOM 0 H LEU A 21 -6.270 -10.149 -3.382 1.00 33.33 H new ATOM 0 HA LEU A 21 -6.724 -8.579 -1.024 1.00 43.43 H new ATOM 0 HB2 LEU A 21 -8.405 -9.278 -3.455 1.00 12.12 H new ATOM 0 HB3 LEU A 21 -8.942 -8.186 -2.195 1.00 12.12 H new ATOM 0 HG LEU A 21 -6.427 -7.727 -3.816 1.00 0.43 H new ATOM 0 HD11 LEU A 21 -7.754 -6.119 -5.130 1.00 40.31 H new ATOM 0 HD12 LEU A 21 -8.358 -7.782 -5.318 1.00 40.31 H new ATOM 0 HD13 LEU A 21 -9.223 -6.635 -4.269 1.00 40.31 H new ATOM 0 HD21 LEU A 21 -6.686 -5.409 -3.021 1.00 31.41 H new ATOM 0 HD22 LEU A 21 -8.114 -5.896 -2.078 1.00 31.41 H new ATOM 0 HD23 LEU A 21 -6.512 -6.554 -1.670 1.00 31.41 H new ATOM 322 N ARG A 22 -8.309 -11.434 -1.413 1.00 52.13 N ATOM 323 CA ARG A 22 -9.118 -12.431 -0.722 1.00 33.21 C ATOM 324 C ARG A 22 -8.265 -13.623 -0.297 1.00 11.34 C ATOM 325 O ARG A 22 -7.166 -13.844 -0.806 1.00 62.31 O ATOM 326 CB ARG A 22 -10.261 -12.904 -1.623 1.00 11.53 C ATOM 327 CG ARG A 22 -11.592 -12.237 -1.316 1.00 4.13 C ATOM 328 CD ARG A 22 -12.032 -11.324 -2.451 1.00 65.14 C ATOM 329 NE ARG A 22 -13.402 -10.849 -2.271 1.00 53.24 N ATOM 330 CZ ARG A 22 -14.476 -11.580 -2.549 1.00 15.34 C ATOM 331 NH1 ARG A 22 -14.339 -12.813 -3.017 1.00 75.44 N ATOM 332 NH2 ARG A 22 -15.689 -11.078 -2.359 1.00 53.03 N ATOM 0 H ARG A 22 -7.974 -11.725 -2.331 1.00 52.13 H new ATOM 0 HA ARG A 22 -9.536 -11.968 0.172 1.00 33.21 H new ATOM 0 HB2 ARG A 22 -9.998 -12.709 -2.663 1.00 11.53 H new ATOM 0 HB3 ARG A 22 -10.372 -13.983 -1.519 1.00 11.53 H new ATOM 0 HG2 ARG A 22 -12.352 -13.000 -1.146 1.00 4.13 H new ATOM 0 HG3 ARG A 22 -11.507 -11.660 -0.395 1.00 4.13 H new ATOM 0 HD2 ARG A 22 -11.357 -10.470 -2.512 1.00 65.14 H new ATOM 0 HD3 ARG A 22 -11.955 -11.859 -3.397 1.00 65.14 H new ATOM 0 HE ARG A 22 -13.541 -9.904 -1.912 1.00 53.24 H new ATOM 0 HH11 ARG A 22 -13.408 -13.202 -3.164 1.00 75.44 H new ATOM 0 HH12 ARG A 22 -15.165 -13.372 -3.230 1.00 75.44 H new ATOM 0 HH21 ARG A 22 -15.798 -10.130 -1.999 1.00 53.03 H new ATOM 0 HH22 ARG A 22 -16.513 -11.640 -2.573 1.00 53.03 H new ATOM 346 N PRO A 23 -8.783 -14.410 0.658 1.00 1.11 N ATOM 347 CA PRO A 23 -8.086 -15.592 1.172 1.00 74.45 C ATOM 348 C PRO A 23 -8.017 -16.717 0.147 1.00 30.24 C ATOM 349 O PRO A 23 -7.000 -17.399 0.025 1.00 23.02 O ATOM 350 CB PRO A 23 -8.939 -16.013 2.372 1.00 22.32 C ATOM 351 CG PRO A 23 -10.299 -15.484 2.072 1.00 44.34 C ATOM 352 CD PRO A 23 -10.087 -14.206 1.309 1.00 44.41 C ATOM 0 HA PRO A 23 -7.048 -15.375 1.424 1.00 74.45 H new ATOM 0 HB2 PRO A 23 -8.952 -17.097 2.488 1.00 22.32 H new ATOM 0 HB3 PRO A 23 -8.548 -15.598 3.301 1.00 22.32 H new ATOM 0 HG2 PRO A 23 -10.875 -16.199 1.484 1.00 44.34 H new ATOM 0 HG3 PRO A 23 -10.858 -15.302 2.990 1.00 44.34 H new ATOM 0 HD2 PRO A 23 -10.879 -14.038 0.579 1.00 44.41 H new ATOM 0 HD3 PRO A 23 -10.075 -13.340 1.971 1.00 44.41 H new ATOM 360 N GLY A 24 -9.108 -16.907 -0.592 1.00 74.04 N ATOM 361 CA GLY A 24 -9.149 -17.951 -1.598 1.00 4.44 C ATOM 362 C GLY A 24 -9.431 -17.407 -2.985 1.00 23.24 C ATOM 363 O GLY A 24 -10.054 -18.078 -3.807 1.00 0.54 O ATOM 0 H GLY A 24 -9.963 -16.356 -0.511 1.00 74.04 H new ATOM 0 HA2 GLY A 24 -8.197 -18.482 -1.606 1.00 4.44 H new ATOM 0 HA3 GLY A 24 -9.917 -18.677 -1.333 1.00 4.44 H new ATOM 367 N GLY A 25 -8.974 -16.187 -3.246 1.00 12.23 N ATOM 368 CA GLY A 25 -9.191 -15.574 -4.543 1.00 44.32 C ATOM 369 C GLY A 25 -7.903 -15.378 -5.316 1.00 14.34 C ATOM 370 O GLY A 25 -6.822 -15.716 -4.833 1.00 31.52 O ATOM 0 H GLY A 25 -8.457 -15.611 -2.582 1.00 12.23 H new ATOM 0 HA2 GLY A 25 -9.870 -16.196 -5.126 1.00 44.32 H new ATOM 0 HA3 GLY A 25 -9.680 -14.609 -4.408 1.00 44.32 H new ATOM 374 N LYS A 26 -8.014 -14.830 -6.522 1.00 64.52 N ATOM 375 CA LYS A 26 -6.849 -14.590 -7.365 1.00 44.41 C ATOM 376 C LYS A 26 -6.571 -13.095 -7.495 1.00 65.42 C ATOM 377 O LYS A 26 -5.611 -12.687 -8.148 1.00 52.23 O ATOM 378 CB LYS A 26 -7.063 -15.202 -8.751 1.00 74.10 C ATOM 379 CG LYS A 26 -7.991 -14.391 -9.638 1.00 70.12 C ATOM 380 CD LYS A 26 -8.222 -15.074 -10.975 1.00 21.14 C ATOM 381 CE LYS A 26 -6.946 -15.125 -11.802 1.00 4.24 C ATOM 382 NZ LYS A 26 -7.232 -15.135 -13.264 1.00 43.14 N ATOM 0 H LYS A 26 -8.900 -14.544 -6.937 1.00 64.52 H new ATOM 0 HA LYS A 26 -5.987 -15.063 -6.895 1.00 44.41 H new ATOM 0 HB2 LYS A 26 -6.098 -15.304 -9.247 1.00 74.10 H new ATOM 0 HB3 LYS A 26 -7.470 -16.207 -8.636 1.00 74.10 H new ATOM 0 HG2 LYS A 26 -8.946 -14.247 -9.132 1.00 70.12 H new ATOM 0 HG3 LYS A 26 -7.565 -13.401 -9.803 1.00 70.12 H new ATOM 0 HD2 LYS A 26 -8.590 -16.086 -10.809 1.00 21.14 H new ATOM 0 HD3 LYS A 26 -8.995 -14.541 -11.529 1.00 21.14 H new ATOM 0 HE2 LYS A 26 -6.322 -14.265 -11.560 1.00 4.24 H new ATOM 0 HE3 LYS A 26 -6.377 -16.016 -11.537 1.00 4.24 H new ATOM 0 HZ1 LYS A 26 -6.337 -15.170 -13.793 1.00 43.14 H new ATOM 0 HZ2 LYS A 26 -7.806 -15.969 -13.500 1.00 43.14 H new ATOM 0 HZ3 LYS A 26 -7.753 -14.272 -13.522 1.00 43.14 H new ATOM 396 N LYS A 27 -7.417 -12.284 -6.867 1.00 11.24 N ATOM 397 CA LYS A 27 -7.261 -10.835 -6.910 1.00 0.33 C ATOM 398 C LYS A 27 -6.132 -10.382 -5.990 1.00 32.15 C ATOM 399 O LYS A 27 -5.905 -10.972 -4.935 1.00 55.04 O ATOM 400 CB LYS A 27 -8.568 -10.149 -6.507 1.00 2.22 C ATOM 401 CG LYS A 27 -9.716 -10.415 -7.465 1.00 21.31 C ATOM 402 CD LYS A 27 -10.868 -11.121 -6.771 1.00 25.55 C ATOM 403 CE LYS A 27 -11.694 -10.154 -5.938 1.00 65.44 C ATOM 404 NZ LYS A 27 -12.995 -10.749 -5.523 1.00 21.12 N ATOM 0 H LYS A 27 -8.217 -12.606 -6.323 1.00 11.24 H new ATOM 0 HA LYS A 27 -7.009 -10.552 -7.932 1.00 0.33 H new ATOM 0 HB2 LYS A 27 -8.853 -10.486 -5.510 1.00 2.22 H new ATOM 0 HB3 LYS A 27 -8.400 -9.074 -6.445 1.00 2.22 H new ATOM 0 HG2 LYS A 27 -10.066 -9.472 -7.886 1.00 21.31 H new ATOM 0 HG3 LYS A 27 -9.363 -11.024 -8.297 1.00 21.31 H new ATOM 0 HD2 LYS A 27 -11.506 -11.598 -7.516 1.00 25.55 H new ATOM 0 HD3 LYS A 27 -10.478 -11.913 -6.131 1.00 25.55 H new ATOM 0 HE2 LYS A 27 -11.129 -9.863 -5.052 1.00 65.44 H new ATOM 0 HE3 LYS A 27 -11.877 -9.245 -6.512 1.00 65.44 H new ATOM 0 HZ1 LYS A 27 -13.363 -10.237 -4.696 1.00 21.12 H new ATOM 0 HZ2 LYS A 27 -13.676 -10.676 -6.306 1.00 21.12 H new ATOM 0 HZ3 LYS A 27 -12.856 -11.750 -5.277 1.00 21.12 H new ATOM 418 N GLN A 28 -5.429 -9.330 -6.398 1.00 32.00 N ATOM 419 CA GLN A 28 -4.324 -8.798 -5.609 1.00 52.44 C ATOM 420 C GLN A 28 -4.352 -7.274 -5.590 1.00 2.23 C ATOM 421 O GLN A 28 -5.282 -6.653 -6.108 1.00 74.40 O ATOM 422 CB GLN A 28 -2.988 -9.289 -6.168 1.00 50.44 C ATOM 423 CG GLN A 28 -2.879 -10.803 -6.245 1.00 53.40 C ATOM 424 CD GLN A 28 -2.907 -11.319 -7.670 1.00 3.13 C ATOM 425 OE1 GLN A 28 -3.565 -10.743 -8.537 1.00 34.32 O ATOM 426 NE2 GLN A 28 -2.192 -12.410 -7.920 1.00 43.44 N ATOM 0 H GLN A 28 -5.605 -8.830 -7.269 1.00 32.00 H new ATOM 0 HA GLN A 28 -4.436 -9.157 -4.586 1.00 52.44 H new ATOM 0 HB2 GLN A 28 -2.846 -8.872 -7.165 1.00 50.44 H new ATOM 0 HB3 GLN A 28 -2.180 -8.906 -5.544 1.00 50.44 H new ATOM 0 HG2 GLN A 28 -1.953 -11.122 -5.766 1.00 53.40 H new ATOM 0 HG3 GLN A 28 -3.699 -11.251 -5.684 1.00 53.40 H new ATOM 0 HE21 GLN A 28 -1.661 -12.855 -7.171 1.00 43.44 H new ATOM 0 HE22 GLN A 28 -2.173 -12.803 -8.861 1.00 43.44 H new ATOM 435 N TYR A 29 -3.329 -6.675 -4.992 1.00 42.12 N ATOM 436 CA TYR A 29 -3.237 -5.223 -4.904 1.00 4.42 C ATOM 437 C TYR A 29 -2.441 -4.655 -6.076 1.00 43.35 C ATOM 438 O TYR A 29 -1.563 -5.319 -6.625 1.00 60.11 O ATOM 439 CB TYR A 29 -2.587 -4.809 -3.583 1.00 71.31 C ATOM 440 CG TYR A 29 -3.499 -4.960 -2.386 1.00 74.51 C ATOM 441 CD1 TYR A 29 -4.408 -3.964 -2.052 1.00 41.13 C ATOM 442 CD2 TYR A 29 -3.452 -6.097 -1.590 1.00 73.12 C ATOM 443 CE1 TYR A 29 -5.242 -4.096 -0.959 1.00 42.41 C ATOM 444 CE2 TYR A 29 -4.284 -6.239 -0.496 1.00 54.23 C ATOM 445 CZ TYR A 29 -5.177 -5.235 -0.184 1.00 23.42 C ATOM 446 OH TYR A 29 -6.006 -5.372 0.906 1.00 33.24 O ATOM 0 H TYR A 29 -2.551 -7.173 -4.560 1.00 42.12 H new ATOM 0 HA TYR A 29 -4.248 -4.818 -4.945 1.00 4.42 H new ATOM 0 HB2 TYR A 29 -1.691 -5.409 -3.425 1.00 71.31 H new ATOM 0 HB3 TYR A 29 -2.266 -3.770 -3.656 1.00 71.31 H new ATOM 0 HD1 TYR A 29 -4.463 -3.071 -2.657 1.00 41.13 H new ATOM 0 HD2 TYR A 29 -2.753 -6.884 -1.830 1.00 73.12 H new ATOM 0 HE1 TYR A 29 -5.942 -3.311 -0.712 1.00 42.41 H new ATOM 0 HE2 TYR A 29 -4.235 -7.131 0.111 1.00 54.23 H new ATOM 0 HH TYR A 29 -5.825 -4.653 1.547 1.00 33.24 H new ATOM 456 N LYS A 30 -2.755 -3.419 -6.451 1.00 33.24 N ATOM 457 CA LYS A 30 -2.069 -2.758 -7.556 1.00 73.53 C ATOM 458 C LYS A 30 -1.869 -1.274 -7.261 1.00 33.35 C ATOM 459 O LYS A 30 -2.381 -0.753 -6.269 1.00 34.13 O ATOM 460 CB LYS A 30 -2.862 -2.930 -8.852 1.00 22.11 C ATOM 461 CG LYS A 30 -2.152 -3.779 -9.892 1.00 32.55 C ATOM 462 CD LYS A 30 -2.084 -3.075 -11.236 1.00 52.31 C ATOM 463 CE LYS A 30 -1.693 -4.034 -12.350 1.00 71.21 C ATOM 464 NZ LYS A 30 -0.274 -4.470 -12.234 1.00 31.45 N ATOM 0 H LYS A 30 -3.479 -2.855 -6.006 1.00 33.24 H new ATOM 0 HA LYS A 30 -1.090 -3.222 -7.674 1.00 73.53 H new ATOM 0 HB2 LYS A 30 -3.826 -3.384 -8.621 1.00 22.11 H new ATOM 0 HB3 LYS A 30 -3.067 -1.947 -9.276 1.00 22.11 H new ATOM 0 HG2 LYS A 30 -1.143 -4.008 -9.549 1.00 32.55 H new ATOM 0 HG3 LYS A 30 -2.674 -4.730 -10.004 1.00 32.55 H new ATOM 0 HD2 LYS A 30 -3.052 -2.628 -11.463 1.00 52.31 H new ATOM 0 HD3 LYS A 30 -1.361 -2.261 -11.185 1.00 52.31 H new ATOM 0 HE2 LYS A 30 -2.345 -4.907 -12.323 1.00 71.21 H new ATOM 0 HE3 LYS A 30 -1.847 -3.552 -13.315 1.00 71.21 H new ATOM 0 HZ1 LYS A 30 -0.012 -5.026 -13.073 1.00 31.45 H new ATOM 0 HZ2 LYS A 30 0.341 -3.634 -12.166 1.00 31.45 H new ATOM 0 HZ3 LYS A 30 -0.159 -5.055 -11.382 1.00 31.45 H new ATOM 478 N LEU A 31 -1.125 -0.599 -8.130 1.00 21.43 N ATOM 479 CA LEU A 31 -0.860 0.826 -7.965 1.00 24.44 C ATOM 480 C LEU A 31 -2.157 1.601 -7.758 1.00 23.23 C ATOM 481 O LEU A 31 -2.176 2.633 -7.088 1.00 5.12 O ATOM 482 CB LEU A 31 -0.116 1.371 -9.186 1.00 34.02 C ATOM 483 CG LEU A 31 1.181 2.128 -8.898 1.00 53.51 C ATOM 484 CD1 LEU A 31 0.894 3.397 -8.110 1.00 4.42 C ATOM 485 CD2 LEU A 31 2.161 1.241 -8.146 1.00 61.05 C ATOM 0 H LEU A 31 -0.695 -1.015 -8.956 1.00 21.43 H new ATOM 0 HA LEU A 31 -0.237 0.954 -7.080 1.00 24.44 H new ATOM 0 HB2 LEU A 31 0.113 0.537 -9.849 1.00 34.02 H new ATOM 0 HB3 LEU A 31 -0.788 2.035 -9.730 1.00 34.02 H new ATOM 0 HG LEU A 31 1.634 2.410 -9.849 1.00 53.51 H new ATOM 0 HD11 LEU A 31 1.828 3.923 -7.914 1.00 4.42 H new ATOM 0 HD12 LEU A 31 0.229 4.041 -8.686 1.00 4.42 H new ATOM 0 HD13 LEU A 31 0.418 3.138 -7.164 1.00 4.42 H new ATOM 0 HD21 LEU A 31 3.078 1.797 -7.950 1.00 61.05 H new ATOM 0 HD22 LEU A 31 1.717 0.928 -7.201 1.00 61.05 H new ATOM 0 HD23 LEU A 31 2.391 0.362 -8.747 1.00 61.05 H new ATOM 497 N LYS A 32 -3.241 1.095 -8.338 1.00 2.24 N ATOM 498 CA LYS A 32 -4.544 1.737 -8.216 1.00 42.14 C ATOM 499 C LYS A 32 -4.852 2.071 -6.759 1.00 64.20 C ATOM 500 O LYS A 32 -5.312 3.169 -6.447 1.00 4.13 O ATOM 501 CB LYS A 32 -5.639 0.830 -8.783 1.00 15.25 C ATOM 502 CG LYS A 32 -7.032 1.426 -8.691 1.00 52.24 C ATOM 503 CD LYS A 32 -7.991 0.756 -9.661 1.00 11.41 C ATOM 504 CE LYS A 32 -9.329 0.455 -9.003 1.00 24.11 C ATOM 505 NZ LYS A 32 -9.421 -0.964 -8.559 1.00 44.52 N ATOM 0 H LYS A 32 -3.242 0.242 -8.897 1.00 2.24 H new ATOM 0 HA LYS A 32 -4.517 2.665 -8.787 1.00 42.14 H new ATOM 0 HB2 LYS A 32 -5.414 0.613 -9.827 1.00 15.25 H new ATOM 0 HB3 LYS A 32 -5.624 -0.120 -8.250 1.00 15.25 H new ATOM 0 HG2 LYS A 32 -7.408 1.319 -7.674 1.00 52.24 H new ATOM 0 HG3 LYS A 32 -6.986 2.494 -8.903 1.00 52.24 H new ATOM 0 HD2 LYS A 32 -8.146 1.402 -10.525 1.00 11.41 H new ATOM 0 HD3 LYS A 32 -7.549 -0.170 -10.030 1.00 11.41 H new ATOM 0 HE2 LYS A 32 -9.469 1.114 -8.146 1.00 24.11 H new ATOM 0 HE3 LYS A 32 -10.135 0.669 -9.704 1.00 24.11 H new ATOM 0 HZ1 LYS A 32 -10.347 -1.130 -8.116 1.00 44.52 H new ATOM 0 HZ2 LYS A 32 -9.313 -1.593 -9.381 1.00 44.52 H new ATOM 0 HZ3 LYS A 32 -8.667 -1.162 -7.870 1.00 44.52 H new ATOM 519 N HIS A 33 -4.594 1.116 -5.871 1.00 75.04 N ATOM 520 CA HIS A 33 -4.840 1.308 -4.446 1.00 45.13 C ATOM 521 C HIS A 33 -3.798 2.243 -3.836 1.00 25.20 C ATOM 522 O HIS A 33 -4.201 3.102 -3.051 1.00 53.21 O ATOM 523 CB HIS A 33 -4.826 -0.036 -3.717 1.00 52.54 C ATOM 524 CG HIS A 33 -5.618 -1.101 -4.410 1.00 61.02 C ATOM 525 ND1 HIS A 33 -5.048 -2.239 -4.940 1.00 24.15 N ATOM 526 CD2 HIS A 33 -6.946 -1.197 -4.657 1.00 33.22 C ATOM 527 CE1 HIS A 33 -5.990 -2.988 -5.485 1.00 61.13 C ATOM 528 NE2 HIS A 33 -7.151 -2.379 -5.325 1.00 62.02 N ATOM 0 H HIS A 33 -4.214 0.201 -6.113 1.00 75.04 H new ATOM 0 HA HIS A 33 -5.824 1.763 -4.331 1.00 45.13 H new ATOM 0 HB2 HIS A 33 -3.795 -0.372 -3.612 1.00 52.54 H new ATOM 0 HB3 HIS A 33 -5.221 0.102 -2.710 1.00 52.54 H new ATOM 0 HD2 HIS A 33 -7.703 -0.478 -4.380 1.00 33.22 H new ATOM 0 HE1 HIS A 33 -5.837 -3.937 -5.978 1.00 61.13 H new ATOM 0 HE2 HIS A 33 -8.054 -2.730 -5.646 1.00 62.02 H new ATOM 536 N ILE A 34 -2.519 2.103 -4.164 1.00 62.31 N ATOM 537 CA ILE A 34 -1.489 2.971 -3.608 1.00 45.33 C ATOM 538 C ILE A 34 -1.797 4.439 -3.890 1.00 73.44 C ATOM 539 O ILE A 34 -1.476 5.316 -3.090 1.00 54.35 O ATOM 540 CB ILE A 34 -0.099 2.632 -4.176 1.00 74.21 C ATOM 541 CG1 ILE A 34 0.261 1.176 -3.868 1.00 4.32 C ATOM 542 CG2 ILE A 34 0.951 3.574 -3.607 1.00 54.00 C ATOM 543 CD1 ILE A 34 1.319 0.608 -4.788 1.00 63.42 C ATOM 0 H ILE A 34 -2.171 1.397 -4.812 1.00 62.31 H new ATOM 0 HA ILE A 34 -1.482 2.803 -2.531 1.00 45.33 H new ATOM 0 HB ILE A 34 -0.125 2.760 -5.258 1.00 74.21 H new ATOM 0 HG12 ILE A 34 0.611 1.107 -2.838 1.00 4.32 H new ATOM 0 HG13 ILE A 34 -0.638 0.565 -3.941 1.00 4.32 H new ATOM 0 HG21 ILE A 34 1.928 3.321 -4.019 1.00 54.00 H new ATOM 0 HG22 ILE A 34 0.700 4.601 -3.872 1.00 54.00 H new ATOM 0 HG23 ILE A 34 0.978 3.476 -2.522 1.00 54.00 H new ATOM 0 HD11 ILE A 34 1.524 -0.426 -4.512 1.00 63.42 H new ATOM 0 HD12 ILE A 34 0.964 0.645 -5.818 1.00 63.42 H new ATOM 0 HD13 ILE A 34 2.233 1.196 -4.698 1.00 63.42 H new ATOM 555 N VAL A 35 -2.423 4.696 -5.033 1.00 2.52 N ATOM 556 CA VAL A 35 -2.777 6.057 -5.421 1.00 24.21 C ATOM 557 C VAL A 35 -4.033 6.526 -4.696 1.00 65.54 C ATOM 558 O VAL A 35 -4.046 7.590 -4.079 1.00 51.51 O ATOM 559 CB VAL A 35 -3.003 6.168 -6.940 1.00 33.45 C ATOM 560 CG1 VAL A 35 -3.436 7.577 -7.315 1.00 62.30 C ATOM 561 CG2 VAL A 35 -1.744 5.768 -7.696 1.00 3.42 C ATOM 0 H VAL A 35 -2.696 3.981 -5.707 1.00 2.52 H new ATOM 0 HA VAL A 35 -1.939 6.694 -5.139 1.00 24.21 H new ATOM 0 HB VAL A 35 -3.802 5.482 -7.222 1.00 33.45 H new ATOM 0 HG11 VAL A 35 -3.591 7.635 -8.392 1.00 62.30 H new ATOM 0 HG12 VAL A 35 -4.366 7.821 -6.801 1.00 62.30 H new ATOM 0 HG13 VAL A 35 -2.662 8.286 -7.021 1.00 62.30 H new ATOM 0 HG21 VAL A 35 -1.921 5.852 -8.768 1.00 3.42 H new ATOM 0 HG22 VAL A 35 -0.924 6.427 -7.411 1.00 3.42 H new ATOM 0 HG23 VAL A 35 -1.484 4.738 -7.451 1.00 3.42 H new ATOM 571 N TRP A 36 -5.089 5.722 -4.774 1.00 53.42 N ATOM 572 CA TRP A 36 -6.351 6.054 -4.124 1.00 42.34 C ATOM 573 C TRP A 36 -6.160 6.230 -2.621 1.00 5.43 C ATOM 574 O TRP A 36 -6.755 7.118 -2.011 1.00 22.24 O ATOM 575 CB TRP A 36 -7.390 4.964 -4.394 1.00 62.31 C ATOM 576 CG TRP A 36 -8.673 5.167 -3.647 1.00 10.44 C ATOM 577 CD1 TRP A 36 -9.727 5.948 -4.028 1.00 10.01 C ATOM 578 CD2 TRP A 36 -9.036 4.584 -2.393 1.00 64.34 C ATOM 579 NE1 TRP A 36 -10.725 5.885 -3.084 1.00 35.43 N ATOM 580 CE2 TRP A 36 -10.326 5.053 -2.071 1.00 12.52 C ATOM 581 CE3 TRP A 36 -8.400 3.708 -1.509 1.00 60.13 C ATOM 582 CZ2 TRP A 36 -10.986 4.677 -0.905 1.00 53.01 C ATOM 583 CZ3 TRP A 36 -9.057 3.335 -0.351 1.00 10.34 C ATOM 584 CH2 TRP A 36 -10.339 3.819 -0.058 1.00 62.24 C ATOM 0 H TRP A 36 -5.095 4.837 -5.281 1.00 53.42 H new ATOM 0 HA TRP A 36 -6.707 6.997 -4.539 1.00 42.34 H new ATOM 0 HB2 TRP A 36 -7.602 4.931 -5.463 1.00 62.31 H new ATOM 0 HB3 TRP A 36 -6.969 3.996 -4.122 1.00 62.31 H new ATOM 0 HD1 TRP A 36 -9.770 6.530 -4.937 1.00 10.01 H new ATOM 0 HE1 TRP A 36 -11.617 6.377 -3.130 1.00 35.43 H new ATOM 0 HE3 TRP A 36 -7.412 3.329 -1.727 1.00 60.13 H new ATOM 0 HZ2 TRP A 36 -11.974 5.049 -0.677 1.00 53.01 H new ATOM 0 HZ3 TRP A 36 -8.574 2.659 0.339 1.00 10.34 H new ATOM 0 HH2 TRP A 36 -10.826 3.509 0.855 1.00 62.24 H new ATOM 595 N ALA A 37 -5.328 5.379 -2.031 1.00 3.32 N ATOM 596 CA ALA A 37 -5.058 5.443 -0.600 1.00 54.20 C ATOM 597 C ALA A 37 -4.337 6.736 -0.235 1.00 4.51 C ATOM 598 O ALA A 37 -4.790 7.487 0.630 1.00 2.33 O ATOM 599 CB ALA A 37 -4.238 4.238 -0.164 1.00 74.03 C ATOM 0 H ALA A 37 -4.829 4.637 -2.522 1.00 3.32 H new ATOM 0 HA ALA A 37 -6.012 5.429 -0.074 1.00 54.20 H new ATOM 0 HB1 ALA A 37 -4.043 4.298 0.907 1.00 74.03 H new ATOM 0 HB2 ALA A 37 -4.791 3.324 -0.381 1.00 74.03 H new ATOM 0 HB3 ALA A 37 -3.292 4.227 -0.705 1.00 74.03 H new ATOM 605 N SER A 38 -3.213 6.990 -0.897 1.00 24.34 N ATOM 606 CA SER A 38 -2.428 8.191 -0.639 1.00 31.31 C ATOM 607 C SER A 38 -3.295 9.441 -0.747 1.00 65.04 C ATOM 608 O SER A 38 -3.029 10.452 -0.096 1.00 22.21 O ATOM 609 CB SER A 38 -1.258 8.281 -1.620 1.00 2.41 C ATOM 610 OG SER A 38 -0.863 9.629 -1.820 1.00 33.42 O ATOM 0 H SER A 38 -2.825 6.380 -1.616 1.00 24.34 H new ATOM 0 HA SER A 38 -2.037 8.129 0.377 1.00 31.31 H new ATOM 0 HB2 SER A 38 -0.415 7.704 -1.240 1.00 2.41 H new ATOM 0 HB3 SER A 38 -1.544 7.837 -2.574 1.00 2.41 H new ATOM 0 HG SER A 38 -0.113 9.660 -2.450 1.00 33.42 H new ATOM 616 N ARG A 39 -4.334 9.364 -1.573 1.00 73.13 N ATOM 617 CA ARG A 39 -5.241 10.489 -1.767 1.00 15.10 C ATOM 618 C ARG A 39 -6.325 10.505 -0.694 1.00 21.21 C ATOM 619 O ARG A 39 -6.610 11.547 -0.103 1.00 21.34 O ATOM 620 CB ARG A 39 -5.883 10.420 -3.154 1.00 34.11 C ATOM 621 CG ARG A 39 -5.103 11.168 -4.223 1.00 35.33 C ATOM 622 CD ARG A 39 -5.553 10.770 -5.621 1.00 54.31 C ATOM 623 NE ARG A 39 -6.923 11.195 -5.897 1.00 75.05 N ATOM 624 CZ ARG A 39 -7.533 10.994 -7.059 1.00 3.32 C ATOM 625 NH1 ARG A 39 -6.900 10.380 -8.048 1.00 50.21 N ATOM 626 NH2 ARG A 39 -8.782 11.410 -7.234 1.00 64.25 N ATOM 0 H ARG A 39 -4.568 8.534 -2.118 1.00 73.13 H new ATOM 0 HA ARG A 39 -4.661 11.409 -1.687 1.00 15.10 H new ATOM 0 HB2 ARG A 39 -5.978 9.375 -3.450 1.00 34.11 H new ATOM 0 HB3 ARG A 39 -6.892 10.829 -3.099 1.00 34.11 H new ATOM 0 HG2 ARG A 39 -5.236 12.241 -4.088 1.00 35.33 H new ATOM 0 HG3 ARG A 39 -4.039 10.962 -4.110 1.00 35.33 H new ATOM 0 HD2 ARG A 39 -4.881 11.211 -6.357 1.00 54.31 H new ATOM 0 HD3 ARG A 39 -5.480 9.688 -5.731 1.00 54.31 H new ATOM 0 HE ARG A 39 -7.439 11.672 -5.157 1.00 75.05 H new ATOM 0 HH11 ARG A 39 -5.940 10.060 -7.918 1.00 50.21 H new ATOM 0 HH12 ARG A 39 -7.372 10.228 -8.939 1.00 50.21 H new ATOM 0 HH21 ARG A 39 -9.273 11.884 -6.476 1.00 64.25 H new ATOM 0 HH22 ARG A 39 -9.251 11.256 -8.127 1.00 64.25 H new ATOM 640 N GLU A 40 -6.925 9.345 -0.448 1.00 71.25 N ATOM 641 CA GLU A 40 -7.978 9.227 0.554 1.00 3.55 C ATOM 642 C GLU A 40 -7.514 9.780 1.898 1.00 64.44 C ATOM 643 O GLU A 40 -8.205 10.586 2.522 1.00 44.22 O ATOM 644 CB GLU A 40 -8.404 7.765 0.709 1.00 55.44 C ATOM 645 CG GLU A 40 -9.910 7.565 0.691 1.00 52.23 C ATOM 646 CD GLU A 40 -10.567 8.186 -0.527 1.00 54.33 C ATOM 647 OE1 GLU A 40 -9.875 8.348 -1.554 1.00 11.42 O ATOM 648 OE2 GLU A 40 -11.770 8.509 -0.452 1.00 32.13 O ATOM 0 H GLU A 40 -6.700 8.474 -0.928 1.00 71.25 H new ATOM 0 HA GLU A 40 -8.833 9.812 0.216 1.00 3.55 H new ATOM 0 HB2 GLU A 40 -7.958 7.178 -0.094 1.00 55.44 H new ATOM 0 HB3 GLU A 40 -8.005 7.377 1.646 1.00 55.44 H new ATOM 0 HG2 GLU A 40 -10.131 6.498 0.714 1.00 52.23 H new ATOM 0 HG3 GLU A 40 -10.341 7.999 1.593 1.00 52.23 H new ATOM 655 N LEU A 41 -6.341 9.340 2.339 1.00 1.42 N ATOM 656 CA LEU A 41 -5.784 9.790 3.611 1.00 24.23 C ATOM 657 C LEU A 41 -5.774 11.313 3.693 1.00 34.14 C ATOM 658 O LEU A 41 -6.065 11.889 4.740 1.00 32.44 O ATOM 659 CB LEU A 41 -4.365 9.248 3.787 1.00 60.53 C ATOM 660 CG LEU A 41 -4.245 7.741 4.015 1.00 21.30 C ATOM 661 CD1 LEU A 41 -2.783 7.324 4.073 1.00 22.10 C ATOM 662 CD2 LEU A 41 -4.968 7.334 5.291 1.00 3.11 C ATOM 0 H LEU A 41 -5.757 8.672 1.835 1.00 1.42 H new ATOM 0 HA LEU A 41 -6.415 9.407 4.413 1.00 24.23 H new ATOM 0 HB2 LEU A 41 -3.786 9.508 2.901 1.00 60.53 H new ATOM 0 HB3 LEU A 41 -3.904 9.761 4.631 1.00 60.53 H new ATOM 0 HG LEU A 41 -4.715 7.228 3.176 1.00 21.30 H new ATOM 0 HD11 LEU A 41 -2.718 6.248 4.236 1.00 22.10 H new ATOM 0 HD12 LEU A 41 -2.294 7.579 3.133 1.00 22.10 H new ATOM 0 HD13 LEU A 41 -2.288 7.846 4.892 1.00 22.10 H new ATOM 0 HD21 LEU A 41 -4.872 6.258 5.436 1.00 3.11 H new ATOM 0 HD22 LEU A 41 -4.528 7.856 6.141 1.00 3.11 H new ATOM 0 HD23 LEU A 41 -6.023 7.596 5.211 1.00 3.11 H new ATOM 674 N GLU A 42 -5.438 11.957 2.579 1.00 1.20 N ATOM 675 CA GLU A 42 -5.392 13.414 2.526 1.00 31.42 C ATOM 676 C GLU A 42 -6.741 14.016 2.907 1.00 71.21 C ATOM 677 O GLU A 42 -6.813 15.138 3.407 1.00 1.43 O ATOM 678 CB GLU A 42 -4.988 13.882 1.126 1.00 3.52 C ATOM 679 CG GLU A 42 -4.702 15.372 1.042 1.00 3.40 C ATOM 680 CD GLU A 42 -4.226 15.799 -0.333 1.00 65.51 C ATOM 681 OE1 GLU A 42 -3.689 14.941 -1.066 1.00 13.31 O ATOM 682 OE2 GLU A 42 -4.391 16.988 -0.677 1.00 73.44 O ATOM 0 H GLU A 42 -5.194 11.494 1.703 1.00 1.20 H new ATOM 0 HA GLU A 42 -4.647 13.755 3.245 1.00 31.42 H new ATOM 0 HB2 GLU A 42 -4.102 13.332 0.810 1.00 3.52 H new ATOM 0 HB3 GLU A 42 -5.785 13.633 0.425 1.00 3.52 H new ATOM 0 HG2 GLU A 42 -5.605 15.926 1.298 1.00 3.40 H new ATOM 0 HG3 GLU A 42 -3.946 15.635 1.782 1.00 3.40 H new ATOM 689 N ARG A 43 -7.808 13.261 2.666 1.00 73.44 N ATOM 690 CA ARG A 43 -9.155 13.720 2.983 1.00 71.21 C ATOM 691 C ARG A 43 -9.530 13.360 4.417 1.00 63.30 C ATOM 692 O ARG A 43 -10.389 13.999 5.025 1.00 13.43 O ATOM 693 CB ARG A 43 -10.166 13.108 2.011 1.00 64.25 C ATOM 694 CG ARG A 43 -11.491 13.851 1.962 1.00 52.41 C ATOM 695 CD ARG A 43 -12.595 12.985 1.375 1.00 0.42 C ATOM 696 NE ARG A 43 -13.318 13.669 0.306 1.00 75.14 N ATOM 697 CZ ARG A 43 -14.267 14.573 0.523 1.00 54.10 C ATOM 698 NH1 ARG A 43 -14.605 14.899 1.762 1.00 51.51 N ATOM 699 NH2 ARG A 43 -14.878 15.152 -0.502 1.00 2.02 N ATOM 0 H ARG A 43 -7.766 12.329 2.253 1.00 73.44 H new ATOM 0 HA ARG A 43 -9.175 14.805 2.883 1.00 71.21 H new ATOM 0 HB2 ARG A 43 -9.732 13.091 1.011 1.00 64.25 H new ATOM 0 HB3 ARG A 43 -10.350 12.072 2.296 1.00 64.25 H new ATOM 0 HG2 ARG A 43 -11.770 14.166 2.968 1.00 52.41 H new ATOM 0 HG3 ARG A 43 -11.380 14.756 1.364 1.00 52.41 H new ATOM 0 HD2 ARG A 43 -12.164 12.062 0.988 1.00 0.42 H new ATOM 0 HD3 ARG A 43 -13.294 12.705 2.163 1.00 0.42 H new ATOM 0 HE ARG A 43 -13.081 13.440 -0.659 1.00 75.14 H new ATOM 0 HH11 ARG A 43 -14.136 14.456 2.552 1.00 51.51 H new ATOM 0 HH12 ARG A 43 -15.334 15.593 1.926 1.00 51.51 H new ATOM 0 HH21 ARG A 43 -14.619 14.903 -1.457 1.00 2.02 H new ATOM 0 HH22 ARG A 43 -15.607 15.846 -0.336 1.00 2.02 H new ATOM 713 N PHE A 44 -8.880 12.332 4.953 1.00 11.23 N ATOM 714 CA PHE A 44 -9.146 11.885 6.315 1.00 60.01 C ATOM 715 C PHE A 44 -8.209 12.573 7.305 1.00 63.44 C ATOM 716 O PHE A 44 -7.825 11.991 8.319 1.00 74.42 O ATOM 717 CB PHE A 44 -8.987 10.367 6.417 1.00 43.21 C ATOM 718 CG PHE A 44 -10.193 9.606 5.942 1.00 73.45 C ATOM 719 CD1 PHE A 44 -11.451 9.890 6.448 1.00 52.11 C ATOM 720 CD2 PHE A 44 -10.066 8.606 4.992 1.00 20.35 C ATOM 721 CE1 PHE A 44 -12.561 9.191 6.014 1.00 32.50 C ATOM 722 CE2 PHE A 44 -11.173 7.903 4.554 1.00 23.05 C ATOM 723 CZ PHE A 44 -12.423 8.197 5.064 1.00 55.12 C ATOM 0 H PHE A 44 -8.165 11.793 4.464 1.00 11.23 H new ATOM 0 HA PHE A 44 -10.173 12.153 6.565 1.00 60.01 H new ATOM 0 HB2 PHE A 44 -8.120 10.060 5.832 1.00 43.21 H new ATOM 0 HB3 PHE A 44 -8.783 10.100 7.454 1.00 43.21 H new ATOM 0 HD1 PHE A 44 -11.565 10.666 7.190 1.00 52.11 H new ATOM 0 HD2 PHE A 44 -9.092 8.373 4.589 1.00 20.35 H new ATOM 0 HE1 PHE A 44 -13.536 9.421 6.417 1.00 32.50 H new ATOM 0 HE2 PHE A 44 -11.061 7.125 3.814 1.00 23.05 H new ATOM 0 HZ PHE A 44 -13.290 7.651 4.721 1.00 55.12 H new ATOM 733 N ALA A 45 -7.848 13.815 7.003 1.00 11.01 N ATOM 734 CA ALA A 45 -6.958 14.583 7.865 1.00 51.54 C ATOM 735 C ALA A 45 -5.693 13.796 8.191 1.00 1.15 C ATOM 736 O ALA A 45 -5.032 14.052 9.196 1.00 70.31 O ATOM 737 CB ALA A 45 -7.678 14.981 9.145 1.00 63.40 C ATOM 0 H ALA A 45 -8.158 14.311 6.168 1.00 11.01 H new ATOM 0 HA ALA A 45 -6.664 15.486 7.329 1.00 51.54 H new ATOM 0 HB1 ALA A 45 -7.002 15.554 9.780 1.00 63.40 H new ATOM 0 HB2 ALA A 45 -8.548 15.590 8.899 1.00 63.40 H new ATOM 0 HB3 ALA A 45 -8.001 14.085 9.675 1.00 63.40 H new ATOM 743 N VAL A 46 -5.363 12.835 7.333 1.00 14.43 N ATOM 744 CA VAL A 46 -4.176 12.011 7.528 1.00 64.52 C ATOM 745 C VAL A 46 -3.194 12.178 6.376 1.00 2.12 C ATOM 746 O VAL A 46 -3.524 11.910 5.221 1.00 14.30 O ATOM 747 CB VAL A 46 -4.546 10.521 7.661 1.00 54.04 C ATOM 748 CG1 VAL A 46 -3.291 9.669 7.785 1.00 0.32 C ATOM 749 CG2 VAL A 46 -5.466 10.304 8.854 1.00 13.33 C ATOM 0 H VAL A 46 -5.901 12.608 6.497 1.00 14.43 H new ATOM 0 HA VAL A 46 -3.705 12.347 8.452 1.00 64.52 H new ATOM 0 HB VAL A 46 -5.078 10.215 6.760 1.00 54.04 H new ATOM 0 HG11 VAL A 46 -3.571 8.620 7.878 1.00 0.32 H new ATOM 0 HG12 VAL A 46 -2.672 9.802 6.898 1.00 0.32 H new ATOM 0 HG13 VAL A 46 -2.730 9.974 8.668 1.00 0.32 H new ATOM 0 HG21 VAL A 46 -5.717 9.246 8.932 1.00 13.33 H new ATOM 0 HG22 VAL A 46 -4.962 10.626 9.765 1.00 13.33 H new ATOM 0 HG23 VAL A 46 -6.379 10.884 8.720 1.00 13.33 H new ATOM 759 N ASN A 47 -1.984 12.624 6.697 1.00 21.23 N ATOM 760 CA ASN A 47 -0.951 12.829 5.687 1.00 61.43 C ATOM 761 C ASN A 47 -0.569 11.508 5.025 1.00 40.54 C ATOM 762 O ASN A 47 -0.446 10.471 5.678 1.00 13.33 O ATOM 763 CB ASN A 47 0.286 13.473 6.316 1.00 4.25 C ATOM 764 CG ASN A 47 0.090 14.953 6.590 1.00 23.14 C ATOM 765 OD1 ASN A 47 0.216 15.784 5.691 1.00 74.40 O ATOM 766 ND2 ASN A 47 -0.220 15.288 7.837 1.00 60.43 N ATOM 0 H ASN A 47 -1.694 12.851 7.648 1.00 21.23 H new ATOM 0 HA ASN A 47 -1.351 13.496 4.924 1.00 61.43 H new ATOM 0 HB2 ASN A 47 0.524 12.962 7.249 1.00 4.25 H new ATOM 0 HB3 ASN A 47 1.140 13.339 5.652 1.00 4.25 H new ATOM 0 HD21 ASN A 47 -0.364 16.268 8.081 1.00 60.43 H new ATOM 0 HD22 ASN A 47 -0.314 14.565 8.551 1.00 60.43 H new ATOM 773 N PRO A 48 -0.376 11.545 3.699 1.00 0.31 N ATOM 774 CA PRO A 48 -0.004 10.361 2.919 1.00 52.42 C ATOM 775 C PRO A 48 1.419 9.898 3.211 1.00 51.12 C ATOM 776 O PRO A 48 1.858 8.858 2.723 1.00 64.31 O ATOM 777 CB PRO A 48 -0.123 10.839 1.469 1.00 62.44 C ATOM 778 CG PRO A 48 0.073 12.313 1.539 1.00 40.30 C ATOM 779 CD PRO A 48 -0.506 12.747 2.857 1.00 71.31 C ATOM 0 HA PRO A 48 -0.636 9.504 3.153 1.00 52.42 H new ATOM 0 HB2 PRO A 48 0.629 10.369 0.834 1.00 62.44 H new ATOM 0 HB3 PRO A 48 -1.097 10.589 1.048 1.00 62.44 H new ATOM 0 HG2 PRO A 48 1.130 12.569 1.474 1.00 40.30 H new ATOM 0 HG3 PRO A 48 -0.427 12.813 0.710 1.00 40.30 H new ATOM 0 HD2 PRO A 48 0.039 13.592 3.277 1.00 71.31 H new ATOM 0 HD3 PRO A 48 -1.546 13.057 2.757 1.00 71.31 H new ATOM 787 N GLY A 49 2.138 10.679 4.013 1.00 64.13 N ATOM 788 CA GLY A 49 3.504 10.332 4.357 1.00 40.40 C ATOM 789 C GLY A 49 3.579 9.251 5.417 1.00 34.23 C ATOM 790 O GLY A 49 4.666 8.878 5.859 1.00 12.34 O ATOM 0 H GLY A 49 1.798 11.546 4.430 1.00 64.13 H new ATOM 0 HA2 GLY A 49 4.026 9.995 3.462 1.00 40.40 H new ATOM 0 HA3 GLY A 49 4.023 11.222 4.713 1.00 40.40 H new ATOM 794 N LEU A 50 2.420 8.745 5.826 1.00 51.13 N ATOM 795 CA LEU A 50 2.358 7.701 6.842 1.00 32.11 C ATOM 796 C LEU A 50 2.402 6.316 6.203 1.00 5.14 C ATOM 797 O LEU A 50 2.177 5.306 6.870 1.00 21.51 O ATOM 798 CB LEU A 50 1.086 7.849 7.678 1.00 1.12 C ATOM 799 CG LEU A 50 0.918 9.179 8.415 1.00 60.01 C ATOM 800 CD1 LEU A 50 -0.430 9.233 9.117 1.00 11.54 C ATOM 801 CD2 LEU A 50 2.050 9.382 9.411 1.00 61.42 C ATOM 0 H LEU A 50 1.511 9.041 5.469 1.00 51.13 H new ATOM 0 HA LEU A 50 3.226 7.809 7.492 1.00 32.11 H new ATOM 0 HB2 LEU A 50 0.226 7.708 7.023 1.00 1.12 H new ATOM 0 HB3 LEU A 50 1.062 7.044 8.412 1.00 1.12 H new ATOM 0 HG LEU A 50 0.955 9.986 7.684 1.00 60.01 H new ATOM 0 HD11 LEU A 50 -0.532 10.186 9.636 1.00 11.54 H new ATOM 0 HD12 LEU A 50 -1.228 9.133 8.381 1.00 11.54 H new ATOM 0 HD13 LEU A 50 -0.498 8.418 9.838 1.00 11.54 H new ATOM 0 HD21 LEU A 50 1.915 10.333 9.926 1.00 61.42 H new ATOM 0 HD22 LEU A 50 2.044 8.571 10.139 1.00 61.42 H new ATOM 0 HD23 LEU A 50 3.003 9.388 8.882 1.00 61.42 H new ATOM 813 N LEU A 51 2.693 6.277 4.907 1.00 52.32 N ATOM 814 CA LEU A 51 2.769 5.017 4.178 1.00 73.10 C ATOM 815 C LEU A 51 4.219 4.583 3.988 1.00 62.54 C ATOM 816 O LEU A 51 4.490 3.483 3.509 1.00 24.23 O ATOM 817 CB LEU A 51 2.084 5.150 2.817 1.00 2.21 C ATOM 818 CG LEU A 51 0.639 5.653 2.839 1.00 73.31 C ATOM 819 CD1 LEU A 51 0.245 6.204 1.478 1.00 1.20 C ATOM 820 CD2 LEU A 51 -0.307 4.537 3.258 1.00 71.52 C ATOM 0 H LEU A 51 2.880 7.104 4.340 1.00 52.32 H new ATOM 0 HA LEU A 51 2.255 4.256 4.765 1.00 73.10 H new ATOM 0 HB2 LEU A 51 2.674 5.828 2.200 1.00 2.21 H new ATOM 0 HB3 LEU A 51 2.101 4.176 2.327 1.00 2.21 H new ATOM 0 HG LEU A 51 0.566 6.459 3.569 1.00 73.31 H new ATOM 0 HD11 LEU A 51 -0.786 6.557 1.513 1.00 1.20 H new ATOM 0 HD12 LEU A 51 0.904 7.032 1.216 1.00 1.20 H new ATOM 0 HD13 LEU A 51 0.334 5.418 0.728 1.00 1.20 H new ATOM 0 HD21 LEU A 51 -1.330 4.912 3.268 1.00 71.52 H new ATOM 0 HD22 LEU A 51 -0.231 3.711 2.551 1.00 71.52 H new ATOM 0 HD23 LEU A 51 -0.039 4.188 4.255 1.00 71.52 H new ATOM 832 N GLU A 52 5.147 5.454 4.372 1.00 1.34 N ATOM 833 CA GLU A 52 6.569 5.160 4.245 1.00 74.22 C ATOM 834 C GLU A 52 7.189 4.872 5.610 1.00 51.32 C ATOM 835 O GLU A 52 8.259 5.383 5.940 1.00 13.30 O ATOM 836 CB GLU A 52 7.298 6.329 3.578 1.00 63.43 C ATOM 837 CG GLU A 52 6.838 7.691 4.069 1.00 25.24 C ATOM 838 CD GLU A 52 5.869 8.359 3.112 1.00 35.33 C ATOM 839 OE1 GLU A 52 4.725 7.873 2.992 1.00 11.31 O ATOM 840 OE2 GLU A 52 6.255 9.366 2.482 1.00 61.44 O ATOM 0 H GLU A 52 4.939 6.368 4.773 1.00 1.34 H new ATOM 0 HA GLU A 52 6.675 4.272 3.622 1.00 74.22 H new ATOM 0 HB2 GLU A 52 8.368 6.229 3.758 1.00 63.43 H new ATOM 0 HB3 GLU A 52 7.150 6.271 2.500 1.00 63.43 H new ATOM 0 HG2 GLU A 52 6.362 7.580 5.043 1.00 25.24 H new ATOM 0 HG3 GLU A 52 7.706 8.335 4.209 1.00 25.24 H new ATOM 847 N THR A 53 6.506 4.050 6.402 1.00 15.22 N ATOM 848 CA THR A 53 6.987 3.695 7.731 1.00 40.34 C ATOM 849 C THR A 53 6.102 2.632 8.370 1.00 61.44 C ATOM 850 O THR A 53 4.906 2.843 8.568 1.00 44.24 O ATOM 851 CB THR A 53 7.041 4.926 8.656 1.00 20.22 C ATOM 852 OG1 THR A 53 6.729 4.542 10.000 1.00 62.24 O ATOM 853 CG2 THR A 53 6.066 5.996 8.190 1.00 4.34 C ATOM 0 H THR A 53 5.618 3.618 6.145 1.00 15.22 H new ATOM 0 HA THR A 53 7.995 3.298 7.607 1.00 40.34 H new ATOM 0 HB THR A 53 8.050 5.336 8.620 1.00 20.22 H new ATOM 0 HG1 THR A 53 6.767 5.329 10.582 1.00 62.24 H new ATOM 0 HG21 THR A 53 6.122 6.855 8.858 1.00 4.34 H new ATOM 0 HG22 THR A 53 6.323 6.307 7.177 1.00 4.34 H new ATOM 0 HG23 THR A 53 5.053 5.594 8.200 1.00 4.34 H new ATOM 861 N SER A 54 6.698 1.487 8.691 1.00 44.34 N ATOM 862 CA SER A 54 5.961 0.388 9.306 1.00 50.30 C ATOM 863 C SER A 54 5.196 0.868 10.536 1.00 15.21 C ATOM 864 O SER A 54 4.093 0.400 10.814 1.00 42.41 O ATOM 865 CB SER A 54 6.918 -0.740 9.694 1.00 11.13 C ATOM 866 OG SER A 54 7.407 -0.563 11.012 1.00 14.21 O ATOM 0 H SER A 54 7.688 1.296 8.536 1.00 44.34 H new ATOM 0 HA SER A 54 5.243 0.011 8.578 1.00 50.30 H new ATOM 0 HB2 SER A 54 6.405 -1.699 9.619 1.00 11.13 H new ATOM 0 HB3 SER A 54 7.753 -0.770 8.994 1.00 11.13 H new ATOM 0 HG SER A 54 8.015 -1.298 11.237 1.00 14.21 H new ATOM 872 N GLU A 55 5.792 1.804 11.268 1.00 40.32 N ATOM 873 CA GLU A 55 5.167 2.346 12.469 1.00 50.13 C ATOM 874 C GLU A 55 3.969 3.221 12.111 1.00 53.30 C ATOM 875 O GLU A 55 3.015 3.329 12.879 1.00 41.20 O ATOM 876 CB GLU A 55 6.182 3.158 13.276 1.00 70.32 C ATOM 877 CG GLU A 55 7.437 2.380 13.635 1.00 12.31 C ATOM 878 CD GLU A 55 7.845 2.565 15.084 1.00 32.30 C ATOM 879 OE1 GLU A 55 7.242 1.906 15.958 1.00 31.13 O ATOM 880 OE2 GLU A 55 8.764 3.368 15.344 1.00 15.21 O ATOM 0 H GLU A 55 6.706 2.202 11.051 1.00 40.32 H new ATOM 0 HA GLU A 55 4.817 1.510 13.075 1.00 50.13 H new ATOM 0 HB2 GLU A 55 6.464 4.042 12.704 1.00 70.32 H new ATOM 0 HB3 GLU A 55 5.708 3.509 14.193 1.00 70.32 H new ATOM 0 HG2 GLU A 55 7.271 1.320 13.441 1.00 12.31 H new ATOM 0 HG3 GLU A 55 8.254 2.698 12.988 1.00 12.31 H new ATOM 887 N GLY A 56 4.028 3.845 10.938 1.00 43.11 N ATOM 888 CA GLY A 56 2.943 4.702 10.498 1.00 51.34 C ATOM 889 C GLY A 56 1.719 3.917 10.072 1.00 30.24 C ATOM 890 O GLY A 56 0.608 4.189 10.527 1.00 53.10 O ATOM 0 H GLY A 56 4.808 3.772 10.285 1.00 43.11 H new ATOM 0 HA2 GLY A 56 2.671 5.382 11.305 1.00 51.34 H new ATOM 0 HA3 GLY A 56 3.285 5.316 9.665 1.00 51.34 H new ATOM 894 N CYS A 57 1.923 2.940 9.193 1.00 44.22 N ATOM 895 CA CYS A 57 0.825 2.114 8.702 1.00 55.33 C ATOM 896 C CYS A 57 -0.001 1.564 9.859 1.00 71.33 C ATOM 897 O CYS A 57 -1.175 1.231 9.693 1.00 73.23 O ATOM 898 CB CYS A 57 1.368 0.962 7.853 1.00 44.42 C ATOM 899 SG CYS A 57 2.232 1.493 6.357 1.00 32.03 S ATOM 0 H CYS A 57 2.836 2.701 8.807 1.00 44.22 H new ATOM 0 HA CYS A 57 0.180 2.739 8.085 1.00 55.33 H new ATOM 0 HB2 CYS A 57 2.049 0.366 8.461 1.00 44.42 H new ATOM 0 HB3 CYS A 57 0.540 0.311 7.570 1.00 44.42 H new ATOM 0 HG CYS A 57 3.504 1.258 6.484 1.00 32.03 H new ATOM 905 N ARG A 58 0.619 1.468 11.031 1.00 51.52 N ATOM 906 CA ARG A 58 -0.058 0.956 12.215 1.00 30.41 C ATOM 907 C ARG A 58 -0.791 2.075 12.949 1.00 61.25 C ATOM 908 O ARG A 58 -1.901 1.881 13.445 1.00 24.22 O ATOM 909 CB ARG A 58 0.948 0.288 13.155 1.00 43.30 C ATOM 910 CG ARG A 58 0.429 -0.991 13.792 1.00 13.42 C ATOM 911 CD ARG A 58 1.379 -1.504 14.864 1.00 2.03 C ATOM 912 NE ARG A 58 0.836 -2.663 15.567 1.00 22.02 N ATOM 913 CZ ARG A 58 1.392 -3.192 16.651 1.00 41.33 C ATOM 914 NH1 ARG A 58 2.501 -2.668 17.155 1.00 11.43 N ATOM 915 NH2 ARG A 58 0.838 -4.247 17.235 1.00 1.41 N ATOM 0 H ARG A 58 1.590 1.739 11.185 1.00 51.52 H new ATOM 0 HA ARG A 58 -0.790 0.216 11.892 1.00 30.41 H new ATOM 0 HB2 ARG A 58 1.858 0.064 12.599 1.00 43.30 H new ATOM 0 HB3 ARG A 58 1.220 0.992 13.942 1.00 43.30 H new ATOM 0 HG2 ARG A 58 -0.552 -0.808 14.231 1.00 13.42 H new ATOM 0 HG3 ARG A 58 0.298 -1.754 13.025 1.00 13.42 H new ATOM 0 HD2 ARG A 58 2.332 -1.771 14.407 1.00 2.03 H new ATOM 0 HD3 ARG A 58 1.581 -0.708 15.580 1.00 2.03 H new ATOM 0 HE ARG A 58 -0.017 -3.090 15.206 1.00 22.02 H new ATOM 0 HH11 ARG A 58 2.929 -1.856 16.710 1.00 11.43 H new ATOM 0 HH12 ARG A 58 2.925 -3.077 17.988 1.00 11.43 H new ATOM 0 HH21 ARG A 58 -0.016 -4.653 16.851 1.00 1.41 H new ATOM 0 HH22 ARG A 58 1.266 -4.652 18.067 1.00 1.41 H new ATOM 929 N GLN A 59 -0.163 3.243 13.015 1.00 52.53 N ATOM 930 CA GLN A 59 -0.755 4.393 13.690 1.00 63.51 C ATOM 931 C GLN A 59 -1.918 4.958 12.883 1.00 24.22 C ATOM 932 O GLN A 59 -2.657 5.820 13.360 1.00 21.32 O ATOM 933 CB GLN A 59 0.299 5.477 13.918 1.00 4.14 C ATOM 934 CG GLN A 59 -0.037 6.422 15.060 1.00 40.51 C ATOM 935 CD GLN A 59 0.305 7.864 14.744 1.00 14.44 C ATOM 936 OE1 GLN A 59 1.477 8.240 14.691 1.00 64.32 O ATOM 937 NE2 GLN A 59 -0.719 8.683 14.531 1.00 32.15 N ATOM 0 H GLN A 59 0.756 3.419 12.609 1.00 52.53 H new ATOM 0 HA GLN A 59 -1.135 4.059 14.655 1.00 63.51 H new ATOM 0 HB2 GLN A 59 1.259 5.002 14.121 1.00 4.14 H new ATOM 0 HB3 GLN A 59 0.417 6.055 13.002 1.00 4.14 H new ATOM 0 HG2 GLN A 59 -1.100 6.346 15.288 1.00 40.51 H new ATOM 0 HG3 GLN A 59 0.504 6.112 15.954 1.00 40.51 H new ATOM 0 HE21 GLN A 59 -1.674 8.330 14.585 1.00 32.15 H new ATOM 0 HE22 GLN A 59 -0.550 9.665 14.314 1.00 32.15 H new ATOM 946 N ILE A 60 -2.075 4.467 11.658 1.00 14.24 N ATOM 947 CA ILE A 60 -3.149 4.924 10.784 1.00 4.04 C ATOM 948 C ILE A 60 -4.419 4.107 11.000 1.00 54.40 C ATOM 949 O ILE A 60 -5.529 4.601 10.803 1.00 51.22 O ATOM 950 CB ILE A 60 -2.743 4.838 9.301 1.00 22.50 C ATOM 951 CG1 ILE A 60 -1.511 5.705 9.035 1.00 71.15 C ATOM 952 CG2 ILE A 60 -3.900 5.265 8.409 1.00 54.11 C ATOM 953 CD1 ILE A 60 -0.634 5.184 7.918 1.00 73.44 C ATOM 0 H ILE A 60 -1.472 3.753 11.248 1.00 14.24 H new ATOM 0 HA ILE A 60 -3.342 5.966 11.040 1.00 4.04 H new ATOM 0 HB ILE A 60 -2.493 3.803 9.068 1.00 22.50 H new ATOM 0 HG12 ILE A 60 -1.835 6.716 8.790 1.00 71.15 H new ATOM 0 HG13 ILE A 60 -0.920 5.772 9.948 1.00 71.15 H new ATOM 0 HG21 ILE A 60 -3.597 5.199 7.364 1.00 54.11 H new ATOM 0 HG22 ILE A 60 -4.754 4.610 8.582 1.00 54.11 H new ATOM 0 HG23 ILE A 60 -4.179 6.293 8.642 1.00 54.11 H new ATOM 0 HD11 ILE A 60 0.220 5.849 7.786 1.00 73.44 H new ATOM 0 HD12 ILE A 60 -0.280 4.184 8.169 1.00 73.44 H new ATOM 0 HD13 ILE A 60 -1.209 5.143 6.993 1.00 73.44 H new ATOM 965 N LEU A 61 -4.247 2.855 11.409 1.00 62.20 N ATOM 966 CA LEU A 61 -5.379 1.969 11.655 1.00 32.40 C ATOM 967 C LEU A 61 -6.000 2.244 13.020 1.00 40.44 C ATOM 968 O LEU A 61 -7.204 2.080 13.210 1.00 62.54 O ATOM 969 CB LEU A 61 -4.936 0.506 11.569 1.00 52.45 C ATOM 970 CG LEU A 61 -4.381 0.051 10.219 1.00 52.23 C ATOM 971 CD1 LEU A 61 -4.123 -1.447 10.226 1.00 14.03 C ATOM 972 CD2 LEU A 61 -5.337 0.425 9.096 1.00 5.52 C ATOM 0 H LEU A 61 -3.335 2.431 11.577 1.00 62.20 H new ATOM 0 HA LEU A 61 -6.131 2.161 10.889 1.00 32.40 H new ATOM 0 HB2 LEU A 61 -4.175 0.333 12.329 1.00 52.45 H new ATOM 0 HB3 LEU A 61 -5.788 -0.126 11.821 1.00 52.45 H new ATOM 0 HG LEU A 61 -3.433 0.561 10.047 1.00 52.23 H new ATOM 0 HD11 LEU A 61 -3.728 -1.753 9.257 1.00 14.03 H new ATOM 0 HD12 LEU A 61 -3.400 -1.688 11.005 1.00 14.03 H new ATOM 0 HD13 LEU A 61 -5.056 -1.976 10.421 1.00 14.03 H new ATOM 0 HD21 LEU A 61 -4.926 0.093 8.143 1.00 5.52 H new ATOM 0 HD22 LEU A 61 -6.300 -0.057 9.263 1.00 5.52 H new ATOM 0 HD23 LEU A 61 -5.471 1.507 9.077 1.00 5.52 H new ATOM 984 N GLY A 62 -5.170 2.667 13.968 1.00 13.35 N ATOM 985 CA GLY A 62 -5.656 2.962 15.304 1.00 12.25 C ATOM 986 C GLY A 62 -6.612 4.138 15.326 1.00 14.54 C ATOM 987 O GLY A 62 -7.516 4.195 16.159 1.00 25.13 O ATOM 0 H GLY A 62 -4.169 2.811 13.835 1.00 13.35 H new ATOM 0 HA2 GLY A 62 -6.158 2.082 15.707 1.00 12.25 H new ATOM 0 HA3 GLY A 62 -4.809 3.174 15.957 1.00 12.25 H new ATOM 991 N GLN A 63 -6.409 5.081 14.411 1.00 22.31 N ATOM 992 CA GLN A 63 -7.260 6.262 14.331 1.00 52.50 C ATOM 993 C GLN A 63 -8.638 5.906 13.784 1.00 22.11 C ATOM 994 O GLN A 63 -9.659 6.375 14.290 1.00 75.51 O ATOM 995 CB GLN A 63 -6.607 7.328 13.448 1.00 21.10 C ATOM 996 CG GLN A 63 -5.965 8.460 14.234 1.00 62.43 C ATOM 997 CD GLN A 63 -6.673 9.785 14.031 1.00 4.22 C ATOM 998 OE1 GLN A 63 -7.897 9.873 14.143 1.00 73.51 O ATOM 999 NE2 GLN A 63 -5.905 10.827 13.732 1.00 21.40 N ATOM 0 H GLN A 63 -5.663 5.050 13.716 1.00 22.31 H new ATOM 0 HA GLN A 63 -7.382 6.659 15.339 1.00 52.50 H new ATOM 0 HB2 GLN A 63 -5.849 6.856 12.823 1.00 21.10 H new ATOM 0 HB3 GLN A 63 -7.360 7.743 12.778 1.00 21.10 H new ATOM 0 HG2 GLN A 63 -5.969 8.209 15.295 1.00 62.43 H new ATOM 0 HG3 GLN A 63 -4.922 8.560 13.934 1.00 62.43 H new ATOM 0 HE21 GLN A 63 -4.895 10.709 13.649 1.00 21.40 H new ATOM 0 HE22 GLN A 63 -6.325 11.745 13.585 1.00 21.40 H new ATOM 1008 N LEU A 64 -8.660 5.075 12.748 1.00 64.31 N ATOM 1009 CA LEU A 64 -9.915 4.655 12.132 1.00 11.13 C ATOM 1010 C LEU A 64 -10.555 3.518 12.920 1.00 22.43 C ATOM 1011 O LEU A 64 -11.746 3.243 12.773 1.00 72.21 O ATOM 1012 CB LEU A 64 -9.672 4.216 10.686 1.00 45.15 C ATOM 1013 CG LEU A 64 -8.685 5.063 9.883 1.00 72.04 C ATOM 1014 CD1 LEU A 64 -8.405 4.422 8.533 1.00 61.21 C ATOM 1015 CD2 LEU A 64 -9.217 6.478 9.705 1.00 33.34 C ATOM 0 H LEU A 64 -7.825 4.679 12.317 1.00 64.31 H new ATOM 0 HA LEU A 64 -10.598 5.505 12.139 1.00 11.13 H new ATOM 0 HB2 LEU A 64 -9.312 3.187 10.696 1.00 45.15 H new ATOM 0 HB3 LEU A 64 -10.628 4.215 10.163 1.00 45.15 H new ATOM 0 HG LEU A 64 -7.748 5.116 10.437 1.00 72.04 H new ATOM 0 HD11 LEU A 64 -7.700 5.040 7.976 1.00 61.21 H new ATOM 0 HD12 LEU A 64 -7.979 3.430 8.683 1.00 61.21 H new ATOM 0 HD13 LEU A 64 -9.335 4.336 7.971 1.00 61.21 H new ATOM 0 HD21 LEU A 64 -8.501 7.066 9.131 1.00 33.34 H new ATOM 0 HD22 LEU A 64 -10.168 6.445 9.174 1.00 33.34 H new ATOM 0 HD23 LEU A 64 -9.363 6.937 10.683 1.00 33.34 H new ATOM 1027 N GLN A 65 -9.758 2.864 13.759 1.00 30.23 N ATOM 1028 CA GLN A 65 -10.249 1.757 14.572 1.00 34.42 C ATOM 1029 C GLN A 65 -11.534 2.143 15.297 1.00 2.00 C ATOM 1030 O GLN A 65 -12.569 1.488 15.169 1.00 55.11 O ATOM 1031 CB GLN A 65 -9.185 1.330 15.585 1.00 21.34 C ATOM 1032 CG GLN A 65 -9.744 0.536 16.754 1.00 33.43 C ATOM 1033 CD GLN A 65 -9.941 1.384 17.995 1.00 42.13 C ATOM 1034 OE1 GLN A 65 -11.070 1.658 18.401 1.00 23.25 O ATOM 1035 NE2 GLN A 65 -8.839 1.806 18.605 1.00 5.10 N ATOM 0 H GLN A 65 -8.771 3.081 13.894 1.00 30.23 H new ATOM 0 HA GLN A 65 -10.466 0.919 13.909 1.00 34.42 H new ATOM 0 HB2 GLN A 65 -8.431 0.730 15.076 1.00 21.34 H new ATOM 0 HB3 GLN A 65 -8.681 2.218 15.967 1.00 21.34 H new ATOM 0 HG2 GLN A 65 -10.698 0.094 16.465 1.00 33.43 H new ATOM 0 HG3 GLN A 65 -9.068 -0.288 16.985 1.00 33.43 H new ATOM 0 HE21 GLN A 65 -7.923 1.555 18.234 1.00 5.10 H new ATOM 0 HE22 GLN A 65 -8.909 2.381 19.445 1.00 5.10 H new ATOM 1044 N PRO A 66 -11.469 3.231 16.078 1.00 52.05 N ATOM 1045 CA PRO A 66 -12.617 3.729 16.840 1.00 5.12 C ATOM 1046 C PRO A 66 -13.698 4.319 15.940 1.00 40.43 C ATOM 1047 O PRO A 66 -14.738 4.771 16.418 1.00 2.10 O ATOM 1048 CB PRO A 66 -12.010 4.816 17.730 1.00 53.23 C ATOM 1049 CG PRO A 66 -10.796 5.271 16.996 1.00 44.11 C ATOM 1050 CD PRO A 66 -10.268 4.060 16.278 1.00 0.40 C ATOM 0 HA PRO A 66 -13.113 2.933 17.396 1.00 5.12 H new ATOM 0 HB2 PRO A 66 -12.710 5.637 17.885 1.00 53.23 H new ATOM 0 HB3 PRO A 66 -11.754 4.425 18.715 1.00 53.23 H new ATOM 0 HG2 PRO A 66 -11.041 6.066 16.292 1.00 44.11 H new ATOM 0 HG3 PRO A 66 -10.052 5.672 17.684 1.00 44.11 H new ATOM 0 HD2 PRO A 66 -9.801 4.327 15.330 1.00 0.40 H new ATOM 0 HD3 PRO A 66 -9.514 3.539 16.869 1.00 0.40 H new ATOM 1058 N SER A 67 -13.444 4.311 14.636 1.00 3.41 N ATOM 1059 CA SER A 67 -14.394 4.850 13.669 1.00 31.42 C ATOM 1060 C SER A 67 -14.991 3.735 12.815 1.00 31.31 C ATOM 1061 O SER A 67 -15.985 3.936 12.115 1.00 63.43 O ATOM 1062 CB SER A 67 -13.711 5.883 12.772 1.00 53.03 C ATOM 1063 OG SER A 67 -12.876 6.742 13.529 1.00 33.04 O ATOM 0 H SER A 67 -12.589 3.938 14.224 1.00 3.41 H new ATOM 0 HA SER A 67 -15.200 5.334 14.220 1.00 31.42 H new ATOM 0 HB2 SER A 67 -13.120 5.374 12.011 1.00 53.03 H new ATOM 0 HB3 SER A 67 -14.465 6.471 12.250 1.00 53.03 H new ATOM 0 HG SER A 67 -12.449 7.392 12.933 1.00 33.04 H new ATOM 1069 N LEU A 68 -14.379 2.557 12.877 1.00 55.33 N ATOM 1070 CA LEU A 68 -14.848 1.409 12.112 1.00 35.15 C ATOM 1071 C LEU A 68 -16.276 1.041 12.501 1.00 2.02 C ATOM 1072 O LEU A 68 -17.076 0.641 11.655 1.00 70.24 O ATOM 1073 CB LEU A 68 -13.922 0.211 12.332 1.00 61.53 C ATOM 1074 CG LEU A 68 -12.569 0.268 11.623 1.00 50.51 C ATOM 1075 CD1 LEU A 68 -11.627 -0.784 12.185 1.00 74.40 C ATOM 1076 CD2 LEU A 68 -12.744 0.083 10.123 1.00 43.10 C ATOM 0 H LEU A 68 -13.556 2.373 13.450 1.00 55.33 H new ATOM 0 HA LEU A 68 -14.837 1.679 11.056 1.00 35.15 H new ATOM 0 HB2 LEU A 68 -13.744 0.107 13.402 1.00 61.53 H new ATOM 0 HB3 LEU A 68 -14.443 -0.689 12.006 1.00 61.53 H new ATOM 0 HG LEU A 68 -12.130 1.250 11.799 1.00 50.51 H new ATOM 0 HD11 LEU A 68 -10.669 -0.728 11.668 1.00 74.40 H new ATOM 0 HD12 LEU A 68 -11.476 -0.605 13.250 1.00 74.40 H new ATOM 0 HD13 LEU A 68 -12.060 -1.774 12.041 1.00 74.40 H new ATOM 0 HD21 LEU A 68 -11.770 0.127 9.635 1.00 43.10 H new ATOM 0 HD22 LEU A 68 -13.205 -0.885 9.927 1.00 43.10 H new ATOM 0 HD23 LEU A 68 -13.382 0.875 9.731 1.00 43.10 H new ATOM 1088 N GLN A 69 -16.588 1.181 13.784 1.00 62.25 N ATOM 1089 CA GLN A 69 -17.921 0.865 14.285 1.00 41.45 C ATOM 1090 C GLN A 69 -18.994 1.561 13.455 1.00 14.54 C ATOM 1091 O GLN A 69 -20.029 0.975 13.140 1.00 24.13 O ATOM 1092 CB GLN A 69 -18.048 1.276 15.753 1.00 4.21 C ATOM 1093 CG GLN A 69 -18.995 0.394 16.551 1.00 53.42 C ATOM 1094 CD GLN A 69 -19.627 1.126 17.719 1.00 51.11 C ATOM 1095 OE1 GLN A 69 -19.663 2.356 17.751 1.00 11.24 O ATOM 1096 NE2 GLN A 69 -20.132 0.370 18.688 1.00 54.12 N ATOM 0 H GLN A 69 -15.937 1.511 14.496 1.00 62.25 H new ATOM 0 HA GLN A 69 -18.066 -0.212 14.203 1.00 41.45 H new ATOM 0 HB2 GLN A 69 -17.062 1.248 16.216 1.00 4.21 H new ATOM 0 HB3 GLN A 69 -18.396 2.308 15.804 1.00 4.21 H new ATOM 0 HG2 GLN A 69 -19.780 0.021 15.893 1.00 53.42 H new ATOM 0 HG3 GLN A 69 -18.451 -0.474 16.922 1.00 53.42 H new ATOM 0 HE21 GLN A 69 -20.081 -0.647 18.621 1.00 54.12 H new ATOM 0 HE22 GLN A 69 -20.571 0.806 19.499 1.00 54.12 H new ATOM 1105 N THR A 70 -18.739 2.818 13.102 1.00 42.41 N ATOM 1106 CA THR A 70 -19.683 3.595 12.309 1.00 41.12 C ATOM 1107 C THR A 70 -18.973 4.347 11.190 1.00 32.45 C ATOM 1108 O THR A 70 -19.182 5.545 11.002 1.00 30.22 O ATOM 1109 CB THR A 70 -20.452 4.605 13.182 1.00 72.20 C ATOM 1110 OG1 THR A 70 -19.534 5.502 13.819 1.00 22.24 O ATOM 1111 CG2 THR A 70 -21.281 3.888 14.236 1.00 61.25 C ATOM 0 H THR A 70 -17.887 3.319 13.353 1.00 42.41 H new ATOM 0 HA THR A 70 -20.390 2.887 11.876 1.00 41.12 H new ATOM 0 HB THR A 70 -21.124 5.171 12.537 1.00 72.20 H new ATOM 0 HG1 THR A 70 -20.031 6.142 14.371 1.00 22.24 H new ATOM 0 HG21 THR A 70 -21.815 4.622 14.840 1.00 61.25 H new ATOM 0 HG22 THR A 70 -21.999 3.229 13.748 1.00 61.25 H new ATOM 0 HG23 THR A 70 -20.625 3.299 14.877 1.00 61.25 H new ATOM 1119 N GLY A 71 -18.131 3.635 10.446 1.00 62.30 N ATOM 1120 CA GLY A 71 -17.403 4.252 9.353 1.00 35.53 C ATOM 1121 C GLY A 71 -17.979 3.893 7.996 1.00 62.14 C ATOM 1122 O GLY A 71 -18.437 2.771 7.787 1.00 65.40 O ATOM 0 H GLY A 71 -17.940 2.642 10.581 1.00 62.30 H new ATOM 0 HA2 GLY A 71 -17.419 5.335 9.476 1.00 35.53 H new ATOM 0 HA3 GLY A 71 -16.359 3.941 9.395 1.00 35.53 H new ATOM 1126 N SER A 72 -17.957 4.850 7.075 1.00 20.31 N ATOM 1127 CA SER A 72 -18.486 4.631 5.734 1.00 5.22 C ATOM 1128 C SER A 72 -17.647 3.604 4.979 1.00 40.04 C ATOM 1129 O SER A 72 -16.564 3.227 5.423 1.00 34.24 O ATOM 1130 CB SER A 72 -18.521 5.948 4.954 1.00 63.25 C ATOM 1131 OG SER A 72 -17.217 6.348 4.570 1.00 64.24 O ATOM 0 H SER A 72 -17.579 5.784 7.232 1.00 20.31 H new ATOM 0 HA SER A 72 -19.501 4.246 5.830 1.00 5.22 H new ATOM 0 HB2 SER A 72 -19.145 5.833 4.068 1.00 63.25 H new ATOM 0 HB3 SER A 72 -18.978 6.725 5.567 1.00 63.25 H new ATOM 0 HG SER A 72 -17.267 7.191 4.072 1.00 64.24 H new ATOM 1137 N GLU A 73 -18.158 3.155 3.837 1.00 11.34 N ATOM 1138 CA GLU A 73 -17.457 2.171 3.022 1.00 32.13 C ATOM 1139 C GLU A 73 -16.088 2.694 2.594 1.00 51.32 C ATOM 1140 O GLU A 73 -15.207 1.922 2.216 1.00 62.11 O ATOM 1141 CB GLU A 73 -18.286 1.814 1.787 1.00 5.32 C ATOM 1142 CG GLU A 73 -18.225 0.342 1.416 1.00 65.33 C ATOM 1143 CD GLU A 73 -18.969 0.032 0.133 1.00 32.55 C ATOM 1144 OE1 GLU A 73 -19.299 0.982 -0.608 1.00 55.04 O ATOM 1145 OE2 GLU A 73 -19.221 -1.163 -0.133 1.00 71.00 O ATOM 0 H GLU A 73 -19.055 3.457 3.456 1.00 11.34 H new ATOM 0 HA GLU A 73 -17.313 1.275 3.626 1.00 32.13 H new ATOM 0 HB2 GLU A 73 -19.325 2.092 1.965 1.00 5.32 H new ATOM 0 HB3 GLU A 73 -17.937 2.407 0.942 1.00 5.32 H new ATOM 0 HG2 GLU A 73 -17.183 0.041 1.309 1.00 65.33 H new ATOM 0 HG3 GLU A 73 -18.646 -0.251 2.228 1.00 65.33 H new ATOM 1152 N GLU A 74 -15.919 4.012 2.656 1.00 64.13 N ATOM 1153 CA GLU A 74 -14.659 4.638 2.274 1.00 53.21 C ATOM 1154 C GLU A 74 -13.557 4.297 3.273 1.00 52.22 C ATOM 1155 O GLU A 74 -12.479 3.838 2.893 1.00 13.44 O ATOM 1156 CB GLU A 74 -14.826 6.157 2.182 1.00 32.54 C ATOM 1157 CG GLU A 74 -14.214 6.760 0.928 1.00 0.00 C ATOM 1158 CD GLU A 74 -15.027 7.917 0.382 1.00 2.31 C ATOM 1159 OE1 GLU A 74 -15.717 8.586 1.179 1.00 52.34 O ATOM 1160 OE2 GLU A 74 -14.974 8.155 -0.843 1.00 62.03 O ATOM 0 H GLU A 74 -16.638 4.665 2.967 1.00 64.13 H new ATOM 0 HA GLU A 74 -14.372 4.251 1.296 1.00 53.21 H new ATOM 0 HB2 GLU A 74 -15.888 6.400 2.211 1.00 32.54 H new ATOM 0 HB3 GLU A 74 -14.369 6.618 3.058 1.00 32.54 H new ATOM 0 HG2 GLU A 74 -13.204 7.103 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.127 5.988 0.163 1.00 0.00 H new ATOM 1167 N LEU A 75 -13.835 4.524 4.552 1.00 11.43 N ATOM 1168 CA LEU A 75 -12.868 4.242 5.607 1.00 55.33 C ATOM 1169 C LEU A 75 -12.523 2.757 5.646 1.00 72.40 C ATOM 1170 O LEU A 75 -11.370 2.382 5.865 1.00 12.54 O ATOM 1171 CB LEU A 75 -13.420 4.685 6.963 1.00 72.42 C ATOM 1172 CG LEU A 75 -12.449 4.603 8.142 1.00 2.02 C ATOM 1173 CD1 LEU A 75 -12.431 5.915 8.911 1.00 33.21 C ATOM 1174 CD2 LEU A 75 -12.822 3.449 9.061 1.00 51.13 C ATOM 0 H LEU A 75 -14.722 4.903 4.884 1.00 11.43 H new ATOM 0 HA LEU A 75 -11.958 4.802 5.392 1.00 55.33 H new ATOM 0 HB2 LEU A 75 -13.765 5.715 6.873 1.00 72.42 H new ATOM 0 HB3 LEU A 75 -14.293 4.075 7.194 1.00 72.42 H new ATOM 0 HG LEU A 75 -11.448 4.421 7.751 1.00 2.02 H new ATOM 0 HD11 LEU A 75 -11.735 5.838 9.746 1.00 33.21 H new ATOM 0 HD12 LEU A 75 -12.115 6.721 8.248 1.00 33.21 H new ATOM 0 HD13 LEU A 75 -13.430 6.128 9.290 1.00 33.21 H new ATOM 0 HD21 LEU A 75 -12.120 3.406 9.894 1.00 51.13 H new ATOM 0 HD22 LEU A 75 -13.831 3.600 9.444 1.00 51.13 H new ATOM 0 HD23 LEU A 75 -12.782 2.513 8.504 1.00 51.13 H new ATOM 1186 N ARG A 76 -13.529 1.915 5.432 1.00 10.24 N ATOM 1187 CA ARG A 76 -13.331 0.471 5.442 1.00 23.24 C ATOM 1188 C ARG A 76 -12.301 0.056 4.395 1.00 62.03 C ATOM 1189 O ARG A 76 -11.478 -0.828 4.635 1.00 60.12 O ATOM 1190 CB ARG A 76 -14.656 -0.248 5.181 1.00 63.24 C ATOM 1191 CG ARG A 76 -15.051 -1.217 6.284 1.00 51.32 C ATOM 1192 CD ARG A 76 -16.556 -1.229 6.502 1.00 33.14 C ATOM 1193 NE ARG A 76 -16.983 -2.374 7.302 1.00 51.23 N ATOM 1194 CZ ARG A 76 -17.139 -3.598 6.810 1.00 51.02 C ATOM 1195 NH1 ARG A 76 -16.903 -3.835 5.527 1.00 63.14 N ATOM 1196 NH2 ARG A 76 -17.531 -4.587 7.603 1.00 72.20 N ATOM 0 H ARG A 76 -14.489 2.208 5.250 1.00 10.24 H new ATOM 0 HA ARG A 76 -12.958 0.187 6.426 1.00 23.24 H new ATOM 0 HB2 ARG A 76 -15.445 0.494 5.061 1.00 63.24 H new ATOM 0 HB3 ARG A 76 -14.585 -0.792 4.239 1.00 63.24 H new ATOM 0 HG2 ARG A 76 -14.711 -2.220 6.027 1.00 51.32 H new ATOM 0 HG3 ARG A 76 -14.550 -0.938 7.211 1.00 51.32 H new ATOM 0 HD2 ARG A 76 -16.858 -0.307 6.999 1.00 33.14 H new ATOM 0 HD3 ARG A 76 -17.062 -1.252 5.537 1.00 33.14 H new ATOM 0 HE ARG A 76 -17.172 -2.226 8.293 1.00 51.23 H new ATOM 0 HH11 ARG A 76 -16.601 -3.077 4.915 1.00 63.14 H new ATOM 0 HH12 ARG A 76 -17.023 -4.776 5.152 1.00 63.14 H new ATOM 0 HH21 ARG A 76 -17.713 -4.407 8.591 1.00 72.20 H new ATOM 0 HH22 ARG A 76 -17.651 -5.527 7.225 1.00 72.20 H new ATOM 1210 N SER A 77 -12.353 0.699 3.233 1.00 52.02 N ATOM 1211 CA SER A 77 -11.427 0.394 2.148 1.00 42.02 C ATOM 1212 C SER A 77 -9.997 0.756 2.537 1.00 25.52 C ATOM 1213 O SER A 77 -9.040 0.124 2.085 1.00 23.21 O ATOM 1214 CB SER A 77 -11.829 1.148 0.879 1.00 64.31 C ATOM 1215 OG SER A 77 -12.824 0.440 0.159 1.00 2.22 O ATOM 0 H SER A 77 -13.026 1.434 3.018 1.00 52.02 H new ATOM 0 HA SER A 77 -11.472 -0.678 1.955 1.00 42.02 H new ATOM 0 HB2 SER A 77 -12.202 2.138 1.143 1.00 64.31 H new ATOM 0 HB3 SER A 77 -10.953 1.295 0.247 1.00 64.31 H new ATOM 0 HG SER A 77 -13.065 0.943 -0.647 1.00 2.22 H new ATOM 1221 N LEU A 78 -9.859 1.776 3.376 1.00 32.31 N ATOM 1222 CA LEU A 78 -8.546 2.223 3.827 1.00 1.03 C ATOM 1223 C LEU A 78 -7.912 1.198 4.762 1.00 44.25 C ATOM 1224 O LEU A 78 -6.790 0.748 4.538 1.00 15.23 O ATOM 1225 CB LEU A 78 -8.660 3.574 4.534 1.00 5.23 C ATOM 1226 CG LEU A 78 -8.159 4.787 3.750 1.00 43.40 C ATOM 1227 CD1 LEU A 78 -6.736 4.559 3.266 1.00 32.11 C ATOM 1228 CD2 LEU A 78 -9.081 5.084 2.577 1.00 25.00 C ATOM 0 H LEU A 78 -10.640 2.309 3.758 1.00 32.31 H new ATOM 0 HA LEU A 78 -7.907 2.332 2.951 1.00 1.03 H new ATOM 0 HB2 LEU A 78 -9.706 3.740 4.791 1.00 5.23 H new ATOM 0 HB3 LEU A 78 -8.106 3.519 5.471 1.00 5.23 H new ATOM 0 HG LEU A 78 -8.162 5.650 4.415 1.00 43.40 H new ATOM 0 HD11 LEU A 78 -6.396 5.433 2.710 1.00 32.11 H new ATOM 0 HD12 LEU A 78 -6.082 4.397 4.123 1.00 32.11 H new ATOM 0 HD13 LEU A 78 -6.708 3.683 2.618 1.00 32.11 H new ATOM 0 HD21 LEU A 78 -8.708 5.951 2.031 1.00 25.00 H new ATOM 0 HD22 LEU A 78 -9.112 4.222 1.911 1.00 25.00 H new ATOM 0 HD23 LEU A 78 -10.085 5.293 2.947 1.00 25.00 H new ATOM 1240 N TYR A 79 -8.642 0.833 5.811 1.00 33.45 N ATOM 1241 CA TYR A 79 -8.152 -0.139 6.781 1.00 23.30 C ATOM 1242 C TYR A 79 -7.679 -1.411 6.086 1.00 32.32 C ATOM 1243 O TYR A 79 -6.633 -1.964 6.425 1.00 31.23 O ATOM 1244 CB TYR A 79 -9.247 -0.476 7.795 1.00 4.31 C ATOM 1245 CG TYR A 79 -8.713 -0.971 9.120 1.00 24.13 C ATOM 1246 CD1 TYR A 79 -8.201 -2.256 9.248 1.00 73.14 C ATOM 1247 CD2 TYR A 79 -8.723 -0.154 10.244 1.00 73.25 C ATOM 1248 CE1 TYR A 79 -7.713 -2.713 10.457 1.00 22.11 C ATOM 1249 CE2 TYR A 79 -8.235 -0.602 11.456 1.00 64.24 C ATOM 1250 CZ TYR A 79 -7.733 -1.883 11.558 1.00 60.21 C ATOM 1251 OH TYR A 79 -7.246 -2.334 12.764 1.00 61.41 O ATOM 0 H TYR A 79 -9.574 1.195 6.011 1.00 33.45 H new ATOM 0 HA TYR A 79 -7.305 0.304 7.305 1.00 23.30 H new ATOM 0 HB2 TYR A 79 -9.857 0.411 7.967 1.00 4.31 H new ATOM 0 HB3 TYR A 79 -9.903 -1.236 7.370 1.00 4.31 H new ATOM 0 HD1 TYR A 79 -8.184 -2.909 8.388 1.00 73.14 H new ATOM 0 HD2 TYR A 79 -9.119 0.848 10.169 1.00 73.25 H new ATOM 0 HE1 TYR A 79 -7.318 -3.715 10.539 1.00 22.11 H new ATOM 0 HE2 TYR A 79 -8.246 0.047 12.319 1.00 64.24 H new ATOM 0 HH TYR A 79 -7.332 -1.627 13.437 1.00 61.41 H new ATOM 1261 N ASN A 80 -8.457 -1.870 5.112 1.00 25.35 N ATOM 1262 CA ASN A 80 -8.118 -3.079 4.368 1.00 4.34 C ATOM 1263 C ASN A 80 -6.857 -2.869 3.536 1.00 54.14 C ATOM 1264 O ASN A 80 -6.189 -3.829 3.147 1.00 43.53 O ATOM 1265 CB ASN A 80 -9.280 -3.484 3.458 1.00 63.31 C ATOM 1266 CG ASN A 80 -10.284 -4.373 4.165 1.00 64.31 C ATOM 1267 OD1 ASN A 80 -9.941 -5.091 5.105 1.00 2.32 O ATOM 1268 ND2 ASN A 80 -11.533 -4.330 3.715 1.00 12.41 N ATOM 0 H ASN A 80 -9.326 -1.424 4.819 1.00 25.35 H new ATOM 0 HA ASN A 80 -7.930 -3.878 5.086 1.00 4.34 H new ATOM 0 HB2 ASN A 80 -9.784 -2.588 3.096 1.00 63.31 H new ATOM 0 HB3 ASN A 80 -8.889 -4.005 2.584 1.00 63.31 H new ATOM 0 HD21 ASN A 80 -12.252 -4.907 4.151 1.00 12.41 H new ATOM 0 HD22 ASN A 80 -11.773 -3.720 2.933 1.00 12.41 H new ATOM 1275 N THR A 81 -6.534 -1.608 3.267 1.00 33.10 N ATOM 1276 CA THR A 81 -5.352 -1.271 2.482 1.00 20.40 C ATOM 1277 C THR A 81 -4.133 -1.082 3.377 1.00 51.04 C ATOM 1278 O THR A 81 -3.225 -1.913 3.389 1.00 31.42 O ATOM 1279 CB THR A 81 -5.573 0.009 1.656 1.00 0.13 C ATOM 1280 OG1 THR A 81 -6.719 -0.143 0.812 1.00 25.31 O ATOM 1281 CG2 THR A 81 -4.350 0.323 0.807 1.00 62.51 C ATOM 0 H THR A 81 -7.075 -0.802 3.581 1.00 33.10 H new ATOM 0 HA THR A 81 -5.174 -2.105 1.804 1.00 20.40 H new ATOM 0 HB THR A 81 -5.739 0.836 2.347 1.00 0.13 H new ATOM 0 HG1 THR A 81 -7.526 0.106 1.309 1.00 25.31 H new ATOM 0 HG21 THR A 81 -4.530 1.232 0.232 1.00 62.51 H new ATOM 0 HG22 THR A 81 -3.485 0.468 1.454 1.00 62.51 H new ATOM 0 HG23 THR A 81 -4.158 -0.506 0.125 1.00 62.51 H new ATOM 1289 N ILE A 82 -4.120 0.016 4.126 1.00 63.32 N ATOM 1290 CA ILE A 82 -3.012 0.312 5.026 1.00 1.52 C ATOM 1291 C ILE A 82 -2.562 -0.938 5.775 1.00 0.42 C ATOM 1292 O ILE A 82 -1.367 -1.166 5.961 1.00 24.34 O ATOM 1293 CB ILE A 82 -3.393 1.400 6.048 1.00 14.35 C ATOM 1294 CG1 ILE A 82 -3.838 2.674 5.327 1.00 35.02 C ATOM 1295 CG2 ILE A 82 -2.220 1.690 6.973 1.00 43.11 C ATOM 1296 CD1 ILE A 82 -5.084 3.297 5.914 1.00 34.13 C ATOM 0 H ILE A 82 -4.863 0.714 4.127 1.00 63.32 H new ATOM 0 HA ILE A 82 -2.192 0.676 4.407 1.00 1.52 H new ATOM 0 HB ILE A 82 -4.225 1.037 6.651 1.00 14.35 H new ATOM 0 HG12 ILE A 82 -3.028 3.402 5.360 1.00 35.02 H new ATOM 0 HG13 ILE A 82 -4.017 2.444 4.277 1.00 35.02 H new ATOM 0 HG21 ILE A 82 -2.504 2.461 7.690 1.00 43.11 H new ATOM 0 HG22 ILE A 82 -1.945 0.781 7.508 1.00 43.11 H new ATOM 0 HG23 ILE A 82 -1.370 2.037 6.385 1.00 43.11 H new ATOM 0 HD11 ILE A 82 -5.340 4.196 5.353 1.00 34.13 H new ATOM 0 HD12 ILE A 82 -5.908 2.586 5.857 1.00 34.13 H new ATOM 0 HD13 ILE A 82 -4.903 3.559 6.956 1.00 34.13 H new ATOM 1308 N ALA A 83 -3.528 -1.745 6.201 1.00 21.43 N ATOM 1309 CA ALA A 83 -3.231 -2.974 6.926 1.00 70.31 C ATOM 1310 C ALA A 83 -2.225 -3.831 6.166 1.00 53.00 C ATOM 1311 O ALA A 83 -1.262 -4.337 6.745 1.00 10.55 O ATOM 1312 CB ALA A 83 -4.510 -3.759 7.180 1.00 62.12 C ATOM 0 H ALA A 83 -4.522 -1.570 6.057 1.00 21.43 H new ATOM 0 HA ALA A 83 -2.787 -2.703 7.884 1.00 70.31 H new ATOM 0 HB1 ALA A 83 -4.273 -4.674 7.722 1.00 62.12 H new ATOM 0 HB2 ALA A 83 -5.197 -3.154 7.772 1.00 62.12 H new ATOM 0 HB3 ALA A 83 -4.977 -4.012 6.228 1.00 62.12 H new ATOM 1318 N VAL A 84 -2.453 -3.992 4.866 1.00 51.31 N ATOM 1319 CA VAL A 84 -1.565 -4.786 4.027 1.00 31.35 C ATOM 1320 C VAL A 84 -0.174 -4.168 3.957 1.00 52.43 C ATOM 1321 O VAL A 84 0.823 -4.816 4.276 1.00 34.20 O ATOM 1322 CB VAL A 84 -2.123 -4.931 2.598 1.00 50.44 C ATOM 1323 CG1 VAL A 84 -1.080 -5.544 1.677 1.00 60.43 C ATOM 1324 CG2 VAL A 84 -3.396 -5.764 2.606 1.00 2.13 C ATOM 0 H VAL A 84 -3.246 -3.583 4.372 1.00 51.31 H new ATOM 0 HA VAL A 84 -1.497 -5.773 4.485 1.00 31.35 H new ATOM 0 HB VAL A 84 -2.368 -3.939 2.219 1.00 50.44 H new ATOM 0 HG11 VAL A 84 -1.492 -5.639 0.672 1.00 60.43 H new ATOM 0 HG12 VAL A 84 -0.198 -4.904 1.649 1.00 60.43 H new ATOM 0 HG13 VAL A 84 -0.801 -6.530 2.049 1.00 60.43 H new ATOM 0 HG21 VAL A 84 -3.777 -5.856 1.589 1.00 2.13 H new ATOM 0 HG22 VAL A 84 -3.180 -6.755 3.004 1.00 2.13 H new ATOM 0 HG23 VAL A 84 -4.145 -5.278 3.231 1.00 2.13 H new ATOM 1334 N LEU A 85 -0.113 -2.909 3.538 1.00 3.34 N ATOM 1335 CA LEU A 85 1.157 -2.200 3.426 1.00 22.14 C ATOM 1336 C LEU A 85 2.037 -2.462 4.644 1.00 65.04 C ATOM 1337 O LEU A 85 3.212 -2.802 4.514 1.00 20.15 O ATOM 1338 CB LEU A 85 0.913 -0.697 3.272 1.00 34.11 C ATOM 1339 CG LEU A 85 2.159 0.167 3.074 1.00 44.54 C ATOM 1340 CD1 LEU A 85 3.005 -0.369 1.931 1.00 13.44 C ATOM 1341 CD2 LEU A 85 1.767 1.616 2.818 1.00 1.11 C ATOM 0 H LEU A 85 -0.928 -2.358 3.270 1.00 3.34 H new ATOM 0 HA LEU A 85 1.675 -2.570 2.541 1.00 22.14 H new ATOM 0 HB2 LEU A 85 0.249 -0.542 2.422 1.00 34.11 H new ATOM 0 HB3 LEU A 85 0.386 -0.342 4.157 1.00 34.11 H new ATOM 0 HG LEU A 85 2.754 0.128 3.986 1.00 44.54 H new ATOM 0 HD11 LEU A 85 3.887 0.259 1.806 1.00 13.44 H new ATOM 0 HD12 LEU A 85 3.315 -1.390 2.155 1.00 13.44 H new ATOM 0 HD13 LEU A 85 2.420 -0.361 1.011 1.00 13.44 H new ATOM 0 HD21 LEU A 85 2.666 2.217 2.679 1.00 1.11 H new ATOM 0 HD22 LEU A 85 1.150 1.673 1.921 1.00 1.11 H new ATOM 0 HD23 LEU A 85 1.204 1.997 3.670 1.00 1.11 H new ATOM 1353 N TYR A 86 1.457 -2.302 5.830 1.00 33.42 N ATOM 1354 CA TYR A 86 2.188 -2.522 7.073 1.00 11.01 C ATOM 1355 C TYR A 86 2.968 -3.833 7.023 1.00 5.15 C ATOM 1356 O TYR A 86 4.125 -3.895 7.436 1.00 72.24 O ATOM 1357 CB TYR A 86 1.224 -2.533 8.261 1.00 31.44 C ATOM 1358 CG TYR A 86 1.889 -2.869 9.577 1.00 22.33 C ATOM 1359 CD1 TYR A 86 1.991 -4.185 10.009 1.00 1.10 C ATOM 1360 CD2 TYR A 86 2.413 -1.870 10.387 1.00 52.31 C ATOM 1361 CE1 TYR A 86 2.597 -4.496 11.212 1.00 24.21 C ATOM 1362 CE2 TYR A 86 3.022 -2.172 11.590 1.00 5.35 C ATOM 1363 CZ TYR A 86 3.111 -3.487 11.997 1.00 53.01 C ATOM 1364 OH TYR A 86 3.716 -3.791 13.196 1.00 24.21 O ATOM 0 H TYR A 86 0.485 -2.021 5.956 1.00 33.42 H new ATOM 0 HA TYR A 86 2.897 -1.704 7.197 1.00 11.01 H new ATOM 0 HB2 TYR A 86 0.750 -1.555 8.342 1.00 31.44 H new ATOM 0 HB3 TYR A 86 0.432 -3.256 8.069 1.00 31.44 H new ATOM 0 HD1 TYR A 86 1.590 -4.978 9.395 1.00 1.10 H new ATOM 0 HD2 TYR A 86 2.343 -0.840 10.071 1.00 52.31 H new ATOM 0 HE1 TYR A 86 2.667 -5.524 11.535 1.00 24.21 H new ATOM 0 HE2 TYR A 86 3.426 -1.383 12.208 1.00 5.35 H new ATOM 0 HH TYR A 86 4.025 -2.966 13.625 1.00 24.21 H new ATOM 1374 N CYS A 87 2.323 -4.877 6.512 1.00 54.10 N ATOM 1375 CA CYS A 87 2.954 -6.187 6.408 1.00 33.21 C ATOM 1376 C CYS A 87 4.177 -6.131 5.498 1.00 20.34 C ATOM 1377 O CYS A 87 5.211 -6.730 5.792 1.00 14.53 O ATOM 1378 CB CYS A 87 1.956 -7.216 5.877 1.00 63.52 C ATOM 1379 SG CYS A 87 0.414 -7.304 6.819 1.00 54.20 S ATOM 0 H CYS A 87 1.365 -4.841 6.164 1.00 54.10 H new ATOM 0 HA CYS A 87 3.278 -6.486 7.405 1.00 33.21 H new ATOM 0 HB2 CYS A 87 1.722 -6.978 4.839 1.00 63.52 H new ATOM 0 HB3 CYS A 87 2.428 -8.199 5.880 1.00 63.52 H new ATOM 0 HG CYS A 87 -0.192 -6.155 6.768 1.00 54.20 H new ATOM 1385 N VAL A 88 4.050 -5.408 4.389 1.00 72.11 N ATOM 1386 CA VAL A 88 5.144 -5.273 3.435 1.00 33.42 C ATOM 1387 C VAL A 88 6.408 -4.760 4.115 1.00 41.22 C ATOM 1388 O VAL A 88 7.404 -5.476 4.222 1.00 23.22 O ATOM 1389 CB VAL A 88 4.771 -4.321 2.283 1.00 44.22 C ATOM 1390 CG1 VAL A 88 5.953 -4.125 1.348 1.00 12.42 C ATOM 1391 CG2 VAL A 88 3.562 -4.850 1.525 1.00 51.34 C ATOM 0 H VAL A 88 3.200 -4.907 4.130 1.00 72.11 H new ATOM 0 HA VAL A 88 5.332 -6.267 3.029 1.00 33.42 H new ATOM 0 HB VAL A 88 4.510 -3.351 2.706 1.00 44.22 H new ATOM 0 HG11 VAL A 88 5.670 -3.450 0.541 1.00 12.42 H new ATOM 0 HG12 VAL A 88 6.789 -3.698 1.902 1.00 12.42 H new ATOM 0 HG13 VAL A 88 6.249 -5.087 0.929 1.00 12.42 H new ATOM 0 HG21 VAL A 88 3.312 -4.165 0.715 1.00 51.34 H new ATOM 0 HG22 VAL A 88 3.793 -5.832 1.112 1.00 51.34 H new ATOM 0 HG23 VAL A 88 2.714 -4.932 2.205 1.00 51.34 H new ATOM 1401 N HIS A 89 6.359 -3.514 4.576 1.00 55.51 N ATOM 1402 CA HIS A 89 7.501 -2.902 5.249 1.00 73.20 C ATOM 1403 C HIS A 89 7.974 -3.770 6.412 1.00 64.33 C ATOM 1404 O HIS A 89 9.150 -3.660 6.756 1.00 71.42 O ATOM 1405 CB HIS A 89 7.134 -1.507 5.755 1.00 52.15 C ATOM 1406 CG HIS A 89 6.684 -0.576 4.671 1.00 13.22 C ATOM 1407 ND1 HIS A 89 7.410 -0.354 3.520 1.00 54.32 N ATOM 1408 CD2 HIS A 89 5.575 0.192 4.568 1.00 3.23 C ATOM 1409 CE1 HIS A 89 6.766 0.511 2.756 1.00 34.43 C ATOM 1410 NE2 HIS A 89 5.649 0.857 3.369 1.00 63.33 N ATOM 0 H HIS A 89 5.542 -2.908 4.496 1.00 55.51 H new ATOM 0 HA HIS A 89 8.314 -2.816 4.528 1.00 73.20 H new ATOM 0 HB2 HIS A 89 6.342 -1.596 6.498 1.00 52.15 H new ATOM 0 HB3 HIS A 89 7.998 -1.074 6.260 1.00 52.15 H new ATOM 0 HD2 HIS A 89 4.779 0.268 5.294 1.00 3.23 H new ATOM 0 HE1 HIS A 89 7.097 0.873 1.794 1.00 34.43 H new ATOM 0 HE2 HIS A 89 4.954 1.512 3.010 1.00 63.33 H new ATOM 1419 N GLN A 90 7.119 -4.598 7.004 1.00 24.32 N ATOM 1420 CA GLN A 90 7.525 -5.445 8.119 1.00 31.43 C ATOM 1421 C GLN A 90 8.131 -6.753 7.617 1.00 51.54 C ATOM 1422 O GLN A 90 8.383 -7.670 8.398 1.00 15.25 O ATOM 1423 CB GLN A 90 6.328 -5.739 9.025 1.00 75.44 C ATOM 1424 CG GLN A 90 6.173 -4.748 10.168 1.00 12.15 C ATOM 1425 CD GLN A 90 6.045 -5.427 11.517 1.00 12.11 C ATOM 1426 OE1 GLN A 90 5.210 -6.311 11.703 1.00 65.42 O ATOM 1427 NE2 GLN A 90 6.876 -5.016 12.467 1.00 74.42 N ATOM 0 H GLN A 90 6.142 -4.700 6.730 1.00 24.32 H new ATOM 0 HA GLN A 90 8.283 -4.911 8.691 1.00 31.43 H new ATOM 0 HB2 GLN A 90 5.418 -5.734 8.425 1.00 75.44 H new ATOM 0 HB3 GLN A 90 6.432 -6.743 9.437 1.00 75.44 H new ATOM 0 HG2 GLN A 90 7.033 -4.079 10.183 1.00 12.15 H new ATOM 0 HG3 GLN A 90 5.292 -4.131 9.991 1.00 12.15 H new ATOM 0 HE21 GLN A 90 7.553 -4.279 12.269 1.00 74.42 H new ATOM 0 HE22 GLN A 90 6.837 -5.437 13.395 1.00 74.42 H new ATOM 1436 N ARG A 91 8.361 -6.829 6.311 1.00 30.24 N ATOM 1437 CA ARG A 91 8.936 -8.024 5.705 1.00 3.02 C ATOM 1438 C ARG A 91 7.897 -9.136 5.606 1.00 23.51 C ATOM 1439 O ARG A 91 8.166 -10.203 5.053 1.00 20.34 O ATOM 1440 CB ARG A 91 10.139 -8.505 6.518 1.00 20.45 C ATOM 1441 CG ARG A 91 11.213 -9.177 5.677 1.00 24.30 C ATOM 1442 CD ARG A 91 12.435 -9.528 6.512 1.00 4.53 C ATOM 1443 NE ARG A 91 12.939 -8.376 7.254 1.00 54.14 N ATOM 1444 CZ ARG A 91 13.726 -8.477 8.320 1.00 41.44 C ATOM 1445 NH1 ARG A 91 14.096 -9.669 8.765 1.00 52.01 N ATOM 1446 NH2 ARG A 91 14.144 -7.382 8.943 1.00 1.13 N ATOM 0 H ARG A 91 8.158 -6.078 5.652 1.00 30.24 H new ATOM 0 HA ARG A 91 9.266 -7.768 4.698 1.00 3.02 H new ATOM 0 HB2 ARG A 91 10.577 -7.655 7.040 1.00 20.45 H new ATOM 0 HB3 ARG A 91 9.796 -9.204 7.280 1.00 20.45 H new ATOM 0 HG2 ARG A 91 10.809 -10.082 5.223 1.00 24.30 H new ATOM 0 HG3 ARG A 91 11.506 -8.515 4.862 1.00 24.30 H new ATOM 0 HD2 ARG A 91 12.180 -10.326 7.210 1.00 4.53 H new ATOM 0 HD3 ARG A 91 13.221 -9.912 5.861 1.00 4.53 H new ATOM 0 HE ARG A 91 12.673 -7.444 6.937 1.00 54.14 H new ATOM 0 HH11 ARG A 91 13.777 -10.513 8.289 1.00 52.01 H new ATOM 0 HH12 ARG A 91 14.700 -9.743 9.583 1.00 52.01 H new ATOM 0 HH21 ARG A 91 13.861 -6.463 8.604 1.00 1.13 H new ATOM 0 HH22 ARG A 91 14.748 -7.460 9.761 1.00 1.13 H new ATOM 1460 N ILE A 92 6.710 -8.881 6.146 1.00 50.03 N ATOM 1461 CA ILE A 92 5.631 -9.861 6.118 1.00 41.44 C ATOM 1462 C ILE A 92 5.014 -9.960 4.728 1.00 3.45 C ATOM 1463 O ILE A 92 4.724 -8.945 4.093 1.00 0.14 O ATOM 1464 CB ILE A 92 4.527 -9.512 7.133 1.00 52.25 C ATOM 1465 CG1 ILE A 92 5.108 -9.440 8.548 1.00 23.24 C ATOM 1466 CG2 ILE A 92 3.403 -10.535 7.067 1.00 51.34 C ATOM 1467 CD1 ILE A 92 4.232 -8.688 9.524 1.00 12.43 C ATOM 0 H ILE A 92 6.471 -8.004 6.608 1.00 50.03 H new ATOM 0 HA ILE A 92 6.071 -10.821 6.387 1.00 41.44 H new ATOM 0 HB ILE A 92 4.117 -8.535 6.879 1.00 52.25 H new ATOM 0 HG12 ILE A 92 5.265 -10.453 8.919 1.00 23.24 H new ATOM 0 HG13 ILE A 92 6.086 -8.961 8.506 1.00 23.24 H new ATOM 0 HG21 ILE A 92 2.631 -10.274 7.791 1.00 51.34 H new ATOM 0 HG22 ILE A 92 2.974 -10.541 6.065 1.00 51.34 H new ATOM 0 HG23 ILE A 92 3.797 -11.524 7.298 1.00 51.34 H new ATOM 0 HD11 ILE A 92 4.706 -8.677 10.505 1.00 12.43 H new ATOM 0 HD12 ILE A 92 4.095 -7.664 9.176 1.00 12.43 H new ATOM 0 HD13 ILE A 92 3.262 -9.180 9.595 1.00 12.43 H new ATOM 1479 N ASP A 93 4.814 -11.186 4.261 1.00 33.34 N ATOM 1480 CA ASP A 93 4.229 -11.418 2.945 1.00 24.45 C ATOM 1481 C ASP A 93 2.893 -12.145 3.066 1.00 11.15 C ATOM 1482 O ASP A 93 2.628 -13.105 2.342 1.00 32.35 O ATOM 1483 CB ASP A 93 5.188 -12.230 2.072 1.00 44.11 C ATOM 1484 CG ASP A 93 4.915 -12.051 0.591 1.00 63.43 C ATOM 1485 OD1 ASP A 93 3.778 -12.335 0.159 1.00 43.05 O ATOM 1486 OD2 ASP A 93 5.838 -11.628 -0.136 1.00 41.13 O ATOM 0 H ASP A 93 5.048 -12.036 4.774 1.00 33.34 H new ATOM 0 HA ASP A 93 4.055 -10.450 2.476 1.00 24.45 H new ATOM 0 HB2 ASP A 93 6.214 -11.931 2.288 1.00 44.11 H new ATOM 0 HB3 ASP A 93 5.103 -13.286 2.329 1.00 44.11 H new ATOM 1491 N VAL A 94 2.054 -11.681 3.986 1.00 61.21 N ATOM 1492 CA VAL A 94 0.745 -12.286 4.202 1.00 24.12 C ATOM 1493 C VAL A 94 0.240 -12.968 2.936 1.00 2.13 C ATOM 1494 O VAL A 94 0.336 -12.417 1.839 1.00 25.30 O ATOM 1495 CB VAL A 94 -0.289 -11.239 4.656 1.00 25.23 C ATOM 1496 CG1 VAL A 94 -0.150 -10.959 6.144 1.00 75.43 C ATOM 1497 CG2 VAL A 94 -0.140 -9.959 3.848 1.00 4.14 C ATOM 0 H VAL A 94 2.257 -10.888 4.594 1.00 61.21 H new ATOM 0 HA VAL A 94 0.866 -13.031 4.989 1.00 24.12 H new ATOM 0 HB VAL A 94 -1.287 -11.640 4.479 1.00 25.23 H new ATOM 0 HG11 VAL A 94 -0.889 -10.217 6.445 1.00 75.43 H new ATOM 0 HG12 VAL A 94 -0.311 -11.880 6.704 1.00 75.43 H new ATOM 0 HG13 VAL A 94 0.851 -10.579 6.351 1.00 75.43 H new ATOM 0 HG21 VAL A 94 -0.878 -9.230 4.182 1.00 4.14 H new ATOM 0 HG22 VAL A 94 0.861 -9.553 3.991 1.00 4.14 H new ATOM 0 HG23 VAL A 94 -0.296 -10.176 2.791 1.00 4.14 H new ATOM 1507 N LYS A 95 -0.301 -14.172 3.095 1.00 70.31 N ATOM 1508 CA LYS A 95 -0.824 -14.932 1.966 1.00 1.35 C ATOM 1509 C LYS A 95 -2.085 -14.278 1.409 1.00 32.43 C ATOM 1510 O LYS A 95 -2.479 -14.537 0.271 1.00 64.51 O ATOM 1511 CB LYS A 95 -1.127 -16.371 2.389 1.00 0.20 C ATOM 1512 CG LYS A 95 -0.561 -17.414 1.442 1.00 21.32 C ATOM 1513 CD LYS A 95 0.750 -17.983 1.958 1.00 11.03 C ATOM 1514 CE LYS A 95 1.940 -17.425 1.191 1.00 30.33 C ATOM 1515 NZ LYS A 95 3.022 -16.964 2.105 1.00 34.42 N ATOM 0 H LYS A 95 -0.388 -14.642 3.996 1.00 70.31 H new ATOM 0 HA LYS A 95 -0.065 -14.943 1.184 1.00 1.35 H new ATOM 0 HB2 LYS A 95 -0.722 -16.541 3.387 1.00 0.20 H new ATOM 0 HB3 LYS A 95 -2.207 -16.501 2.457 1.00 0.20 H new ATOM 0 HG2 LYS A 95 -1.283 -18.220 1.314 1.00 21.32 H new ATOM 0 HG3 LYS A 95 -0.404 -16.968 0.460 1.00 21.32 H new ATOM 0 HD2 LYS A 95 0.857 -17.750 3.017 1.00 11.03 H new ATOM 0 HD3 LYS A 95 0.736 -19.069 1.870 1.00 11.03 H new ATOM 0 HE2 LYS A 95 2.332 -18.191 0.521 1.00 30.33 H new ATOM 0 HE3 LYS A 95 1.612 -16.593 0.567 1.00 30.33 H new ATOM 0 HZ1 LYS A 95 3.815 -16.591 1.544 1.00 34.42 H new ATOM 0 HZ2 LYS A 95 2.655 -16.216 2.727 1.00 34.42 H new ATOM 0 HZ3 LYS A 95 3.353 -17.763 2.683 1.00 34.42 H new ATOM 1529 N ASP A 96 -2.713 -13.430 2.215 1.00 55.40 N ATOM 1530 CA ASP A 96 -3.927 -12.737 1.802 1.00 30.11 C ATOM 1531 C ASP A 96 -4.236 -11.575 2.740 1.00 65.41 C ATOM 1532 O ASP A 96 -3.604 -11.420 3.785 1.00 14.43 O ATOM 1533 CB ASP A 96 -5.107 -13.709 1.767 1.00 21.02 C ATOM 1534 CG ASP A 96 -5.023 -14.761 2.855 1.00 24.41 C ATOM 1535 OD1 ASP A 96 -5.017 -14.384 4.046 1.00 43.12 O ATOM 1536 OD2 ASP A 96 -4.963 -15.961 2.516 1.00 73.13 O ATOM 0 H ASP A 96 -2.401 -13.206 3.160 1.00 55.40 H new ATOM 0 HA ASP A 96 -3.765 -12.338 0.801 1.00 30.11 H new ATOM 0 HB2 ASP A 96 -6.037 -13.151 1.876 1.00 21.02 H new ATOM 0 HB3 ASP A 96 -5.142 -14.199 0.794 1.00 21.02 H new ATOM 1541 N THR A 97 -5.216 -10.759 2.361 1.00 73.12 N ATOM 1542 CA THR A 97 -5.608 -9.610 3.167 1.00 72.50 C ATOM 1543 C THR A 97 -6.114 -10.047 4.537 1.00 64.01 C ATOM 1544 O THR A 97 -6.226 -9.236 5.457 1.00 55.21 O ATOM 1545 CB THR A 97 -6.703 -8.781 2.469 1.00 51.32 C ATOM 1546 OG1 THR A 97 -6.238 -8.337 1.189 1.00 65.43 O ATOM 1547 CG2 THR A 97 -7.095 -7.581 3.316 1.00 44.12 C ATOM 0 H THR A 97 -5.752 -10.873 1.501 1.00 73.12 H new ATOM 0 HA THR A 97 -4.718 -8.992 3.291 1.00 72.50 H new ATOM 0 HB THR A 97 -7.580 -9.414 2.337 1.00 51.32 H new ATOM 0 HG1 THR A 97 -6.192 -7.358 1.179 1.00 65.43 H new ATOM 0 HG21 THR A 97 -7.869 -7.011 2.803 1.00 44.12 H new ATOM 0 HG22 THR A 97 -7.474 -7.924 4.279 1.00 44.12 H new ATOM 0 HG23 THR A 97 -6.223 -6.947 3.475 1.00 44.12 H new ATOM 1555 N LYS A 98 -6.418 -11.333 4.668 1.00 25.23 N ATOM 1556 CA LYS A 98 -6.912 -11.880 5.927 1.00 54.43 C ATOM 1557 C LYS A 98 -5.772 -12.060 6.925 1.00 33.53 C ATOM 1558 O LYS A 98 -5.806 -11.511 8.025 1.00 13.11 O ATOM 1559 CB LYS A 98 -7.609 -13.220 5.687 1.00 21.31 C ATOM 1560 CG LYS A 98 -8.254 -13.802 6.933 1.00 22.32 C ATOM 1561 CD LYS A 98 -9.668 -13.279 7.125 1.00 62.42 C ATOM 1562 CE LYS A 98 -10.116 -13.402 8.573 1.00 55.13 C ATOM 1563 NZ LYS A 98 -10.628 -12.109 9.107 1.00 2.23 N ATOM 0 H LYS A 98 -6.331 -12.018 3.917 1.00 25.23 H new ATOM 0 HA LYS A 98 -7.630 -11.174 6.344 1.00 54.43 H new ATOM 0 HB2 LYS A 98 -8.372 -13.091 4.920 1.00 21.31 H new ATOM 0 HB3 LYS A 98 -6.883 -13.933 5.297 1.00 21.31 H new ATOM 0 HG2 LYS A 98 -8.274 -14.889 6.859 1.00 22.32 H new ATOM 0 HG3 LYS A 98 -7.651 -13.553 7.806 1.00 22.32 H new ATOM 0 HD2 LYS A 98 -9.716 -12.235 6.816 1.00 62.42 H new ATOM 0 HD3 LYS A 98 -10.352 -13.833 6.483 1.00 62.42 H new ATOM 0 HE2 LYS A 98 -10.895 -14.160 8.649 1.00 55.13 H new ATOM 0 HE3 LYS A 98 -9.280 -13.742 9.184 1.00 55.13 H new ATOM 0 HZ1 LYS A 98 -10.923 -12.235 10.096 1.00 2.23 H new ATOM 0 HZ2 LYS A 98 -9.877 -11.391 9.058 1.00 2.23 H new ATOM 0 HZ3 LYS A 98 -11.442 -11.797 8.540 1.00 2.23 H new ATOM 1577 N GLU A 99 -4.763 -12.831 6.531 1.00 75.35 N ATOM 1578 CA GLU A 99 -3.613 -13.083 7.392 1.00 71.13 C ATOM 1579 C GLU A 99 -3.038 -11.774 7.928 1.00 63.32 C ATOM 1580 O GLU A 99 -2.473 -11.734 9.020 1.00 21.24 O ATOM 1581 CB GLU A 99 -2.533 -13.850 6.627 1.00 23.51 C ATOM 1582 CG GLU A 99 -1.330 -14.220 7.479 1.00 23.42 C ATOM 1583 CD GLU A 99 -1.130 -15.719 7.586 1.00 51.14 C ATOM 1584 OE1 GLU A 99 -1.722 -16.332 8.501 1.00 1.54 O ATOM 1585 OE2 GLU A 99 -0.383 -16.280 6.759 1.00 54.24 O ATOM 0 H GLU A 99 -4.719 -13.292 5.622 1.00 75.35 H new ATOM 0 HA GLU A 99 -3.949 -13.686 8.236 1.00 71.13 H new ATOM 0 HB2 GLU A 99 -2.969 -14.760 6.214 1.00 23.51 H new ATOM 0 HB3 GLU A 99 -2.198 -13.246 5.784 1.00 23.51 H new ATOM 0 HG2 GLU A 99 -0.435 -13.767 7.053 1.00 23.42 H new ATOM 0 HG3 GLU A 99 -1.454 -13.802 8.478 1.00 23.42 H new ATOM 1592 N ALA A 100 -3.189 -10.707 7.151 1.00 24.12 N ATOM 1593 CA ALA A 100 -2.687 -9.397 7.547 1.00 45.32 C ATOM 1594 C ALA A 100 -3.346 -8.925 8.840 1.00 35.33 C ATOM 1595 O ALA A 100 -2.666 -8.498 9.775 1.00 30.43 O ATOM 1596 CB ALA A 100 -2.918 -8.385 6.435 1.00 33.21 C ATOM 0 H ALA A 100 -3.655 -10.724 6.244 1.00 24.12 H new ATOM 0 HA ALA A 100 -1.615 -9.485 7.726 1.00 45.32 H new ATOM 0 HB1 ALA A 100 -2.538 -7.411 6.745 1.00 33.21 H new ATOM 0 HB2 ALA A 100 -2.396 -8.708 5.534 1.00 33.21 H new ATOM 0 HB3 ALA A 100 -3.985 -8.309 6.228 1.00 33.21 H new ATOM 1602 N LEU A 101 -4.670 -9.003 8.886 1.00 2.32 N ATOM 1603 CA LEU A 101 -5.421 -8.583 10.064 1.00 32.12 C ATOM 1604 C LEU A 101 -4.964 -9.348 11.301 1.00 42.45 C ATOM 1605 O LEU A 101 -4.527 -8.752 12.286 1.00 5.42 O ATOM 1606 CB LEU A 101 -6.919 -8.798 9.842 1.00 43.22 C ATOM 1607 CG LEU A 101 -7.707 -7.580 9.356 1.00 63.25 C ATOM 1608 CD1 LEU A 101 -7.826 -6.545 10.465 1.00 22.20 C ATOM 1609 CD2 LEU A 101 -7.047 -6.974 8.127 1.00 43.52 C ATOM 0 H LEU A 101 -5.247 -9.353 8.121 1.00 2.32 H new ATOM 0 HA LEU A 101 -5.233 -7.522 10.225 1.00 32.12 H new ATOM 0 HB2 LEU A 101 -7.047 -9.602 9.117 1.00 43.22 H new ATOM 0 HB3 LEU A 101 -7.359 -9.141 10.778 1.00 43.22 H new ATOM 0 HG LEU A 101 -8.710 -7.906 9.081 1.00 63.25 H new ATOM 0 HD11 LEU A 101 -8.389 -5.686 10.102 1.00 22.20 H new ATOM 0 HD12 LEU A 101 -8.343 -6.984 11.318 1.00 22.20 H new ATOM 0 HD13 LEU A 101 -6.830 -6.223 10.771 1.00 22.20 H new ATOM 0 HD21 LEU A 101 -7.621 -6.109 7.795 1.00 43.52 H new ATOM 0 HD22 LEU A 101 -6.032 -6.663 8.375 1.00 43.52 H new ATOM 0 HD23 LEU A 101 -7.014 -7.716 7.329 1.00 43.52 H new ATOM 1621 N ASP A 102 -5.067 -10.671 11.245 1.00 32.22 N ATOM 1622 CA ASP A 102 -4.661 -11.519 12.360 1.00 13.40 C ATOM 1623 C ASP A 102 -3.167 -11.377 12.635 1.00 34.15 C ATOM 1624 O ASP A 102 -2.654 -11.902 13.623 1.00 14.42 O ATOM 1625 CB ASP A 102 -5.001 -12.980 12.068 1.00 23.34 C ATOM 1626 CG ASP A 102 -5.305 -13.767 13.328 1.00 21.44 C ATOM 1627 OD1 ASP A 102 -6.201 -13.345 14.088 1.00 3.11 O ATOM 1628 OD2 ASP A 102 -4.647 -14.805 13.554 1.00 11.53 O ATOM 0 H ASP A 102 -5.429 -11.180 10.439 1.00 32.22 H new ATOM 0 HA ASP A 102 -5.208 -11.197 13.246 1.00 13.40 H new ATOM 0 HB2 ASP A 102 -5.861 -13.023 11.400 1.00 23.34 H new ATOM 0 HB3 ASP A 102 -4.167 -13.446 11.544 1.00 23.34 H new ATOM 1633 N LYS A 103 -2.473 -10.666 11.752 1.00 22.31 N ATOM 1634 CA LYS A 103 -1.038 -10.454 11.898 1.00 63.11 C ATOM 1635 C LYS A 103 -0.752 -9.151 12.637 1.00 2.54 C ATOM 1636 O LYS A 103 -0.024 -9.137 13.630 1.00 11.25 O ATOM 1637 CB LYS A 103 -0.362 -10.433 10.524 1.00 40.32 C ATOM 1638 CG LYS A 103 0.201 -11.778 10.103 1.00 70.00 C ATOM 1639 CD LYS A 103 1.569 -12.028 10.717 1.00 43.33 C ATOM 1640 CE LYS A 103 2.065 -13.434 10.420 1.00 22.43 C ATOM 1641 NZ LYS A 103 2.561 -13.565 9.022 1.00 44.33 N ATOM 0 H LYS A 103 -2.882 -10.227 10.927 1.00 22.31 H new ATOM 0 HA LYS A 103 -0.632 -11.279 12.483 1.00 63.11 H new ATOM 0 HB2 LYS A 103 -1.084 -10.101 9.778 1.00 40.32 H new ATOM 0 HB3 LYS A 103 0.444 -9.699 10.536 1.00 40.32 H new ATOM 0 HG2 LYS A 103 -0.484 -12.570 10.404 1.00 70.00 H new ATOM 0 HG3 LYS A 103 0.276 -11.818 9.016 1.00 70.00 H new ATOM 0 HD2 LYS A 103 2.282 -11.300 10.329 1.00 43.33 H new ATOM 0 HD3 LYS A 103 1.517 -11.880 11.796 1.00 43.33 H new ATOM 0 HE2 LYS A 103 2.865 -13.691 11.114 1.00 22.43 H new ATOM 0 HE3 LYS A 103 1.257 -14.147 10.587 1.00 22.43 H new ATOM 0 HZ1 LYS A 103 2.858 -14.547 8.850 1.00 44.33 H new ATOM 0 HZ2 LYS A 103 1.801 -13.312 8.359 1.00 44.33 H new ATOM 0 HZ3 LYS A 103 3.371 -12.928 8.880 1.00 44.33 H new