USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=17 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 145:sc= -0.103! USER MOD Set 1.2: A 97 THR OG1 : rot 125:sc= 1.9 USER MOD Set 2.1: A 54 SER OG : rot -150:sc= 0.00057 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.33) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0455 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= 1.1 F(o=0.47,f=1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.123) USER MOD Single : A 33 HIS : no HD1:sc= 0.363 K(o=0.36,f=-4.8!) USER MOD Single : A 38 SER OG : rot 89:sc= 1.05 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.422 USER MOD Single : A 57 CYS SG : rot 120:sc= -1.06 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 62:sc= 0.494 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 77 SER OG : rot 88:sc= 0.0489 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.96! X(o=-2!,f=-1.9) USER MOD Single : A 81 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 140:sc= -0.318 USER MOD Single : A 89 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-4.1!) 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 6.767 6.380 -3.928 1.00 55.34 N ATOM 64 CA ARG A 7 8.005 6.133 -3.200 1.00 41.21 C ATOM 65 C ARG A 7 8.527 4.726 -3.476 1.00 35.00 C ATOM 66 O ARG A 7 9.726 4.524 -3.673 1.00 55.03 O ATOM 67 CB ARG A 7 7.785 6.322 -1.698 1.00 71.21 C ATOM 68 CG ARG A 7 8.448 7.569 -1.137 1.00 53.32 C ATOM 69 CD ARG A 7 8.865 7.375 0.312 1.00 23.50 C ATOM 70 NE ARG A 7 10.168 6.725 0.424 1.00 64.45 N ATOM 71 CZ ARG A 7 10.930 6.787 1.510 1.00 43.32 C ATOM 72 NH1 ARG A 7 10.521 7.467 2.572 1.00 22.33 N ATOM 73 NH2 ARG A 7 12.104 6.169 1.535 1.00 42.11 N ATOM 0 HA ARG A 7 8.749 6.851 -3.544 1.00 41.21 H new ATOM 0 HB2 ARG A 7 6.714 6.370 -1.500 1.00 71.21 H new ATOM 0 HB3 ARG A 7 8.168 5.449 -1.171 1.00 71.21 H new ATOM 0 HG2 ARG A 7 9.322 7.819 -1.738 1.00 53.32 H new ATOM 0 HG3 ARG A 7 7.760 8.412 -1.209 1.00 53.32 H new ATOM 0 HD2 ARG A 7 8.898 8.343 0.812 1.00 23.50 H new ATOM 0 HD3 ARG A 7 8.115 6.775 0.828 1.00 23.50 H new ATOM 0 HE ARG A 7 10.512 6.194 -0.376 1.00 64.45 H new ATOM 0 HH11 ARG A 7 9.619 7.944 2.556 1.00 22.33 H new ATOM 0 HH12 ARG A 7 11.108 7.513 3.405 1.00 22.33 H new ATOM 0 HH21 ARG A 7 12.422 5.646 0.719 1.00 42.11 H new ATOM 0 HH22 ARG A 7 12.688 6.217 2.370 1.00 42.11 H new ATOM 87 N LEU A 8 7.619 3.756 -3.488 1.00 13.23 N ATOM 88 CA LEU A 8 7.986 2.367 -3.739 1.00 24.02 C ATOM 89 C LEU A 8 8.589 2.206 -5.131 1.00 12.31 C ATOM 90 O LEU A 8 8.487 3.102 -5.969 1.00 61.23 O ATOM 91 CB LEU A 8 6.763 1.461 -3.592 1.00 60.53 C ATOM 92 CG LEU A 8 6.115 1.426 -2.208 1.00 1.23 C ATOM 93 CD1 LEU A 8 5.002 0.391 -2.165 1.00 13.12 C ATOM 94 CD2 LEU A 8 7.158 1.135 -1.138 1.00 54.40 C ATOM 0 H LEU A 8 6.623 3.906 -3.327 1.00 13.23 H new ATOM 0 HA LEU A 8 8.736 2.076 -3.003 1.00 24.02 H new ATOM 0 HB2 LEU A 8 6.012 1.779 -4.315 1.00 60.53 H new ATOM 0 HB3 LEU A 8 7.054 0.445 -3.860 1.00 60.53 H new ATOM 0 HG LEU A 8 5.680 2.405 -2.007 1.00 1.23 H new ATOM 0 HD11 LEU A 8 4.553 0.381 -1.172 1.00 13.12 H new ATOM 0 HD12 LEU A 8 4.242 0.643 -2.904 1.00 13.12 H new ATOM 0 HD13 LEU A 8 5.412 -0.594 -2.388 1.00 13.12 H new ATOM 0 HD21 LEU A 8 6.679 1.114 -0.159 1.00 54.40 H new ATOM 0 HD22 LEU A 8 7.622 0.169 -1.336 1.00 54.40 H new ATOM 0 HD23 LEU A 8 7.921 1.914 -1.152 1.00 54.40 H new ATOM 106 N SER A 9 9.214 1.058 -5.370 1.00 44.24 N ATOM 107 CA SER A 9 9.835 0.780 -6.661 1.00 14.44 C ATOM 108 C SER A 9 9.520 -0.640 -7.120 1.00 54.01 C ATOM 109 O SER A 9 8.821 -1.385 -6.435 1.00 75.43 O ATOM 110 CB SER A 9 11.349 0.977 -6.575 1.00 24.30 C ATOM 111 OG SER A 9 11.922 1.096 -7.866 1.00 20.42 O ATOM 0 H SER A 9 9.304 0.305 -4.688 1.00 44.24 H new ATOM 0 HA SER A 9 9.426 1.478 -7.391 1.00 14.44 H new ATOM 0 HB2 SER A 9 11.570 1.871 -5.992 1.00 24.30 H new ATOM 0 HB3 SER A 9 11.799 0.135 -6.050 1.00 24.30 H new ATOM 0 HG SER A 9 12.890 1.223 -7.784 1.00 20.42 H new ATOM 117 N GLY A 10 10.042 -1.008 -8.286 1.00 51.44 N ATOM 118 CA GLY A 10 9.806 -2.337 -8.819 1.00 11.22 C ATOM 119 C GLY A 10 10.057 -3.425 -7.794 1.00 4.00 C ATOM 120 O GLY A 10 9.307 -4.396 -7.712 1.00 72.24 O ATOM 0 H GLY A 10 10.624 -0.409 -8.871 1.00 51.44 H new ATOM 0 HA2 GLY A 10 8.777 -2.406 -9.173 1.00 11.22 H new ATOM 0 HA3 GLY A 10 10.452 -2.499 -9.682 1.00 11.22 H new ATOM 124 N GLY A 11 11.119 -3.263 -7.010 1.00 21.52 N ATOM 125 CA GLY A 11 11.450 -4.249 -5.997 1.00 11.30 C ATOM 126 C GLY A 11 10.309 -4.491 -5.029 1.00 53.11 C ATOM 127 O GLY A 11 9.848 -5.621 -4.874 1.00 73.24 O ATOM 0 H GLY A 11 11.755 -2.467 -7.058 1.00 21.52 H new ATOM 0 HA2 GLY A 11 11.716 -5.188 -6.482 1.00 11.30 H new ATOM 0 HA3 GLY A 11 12.328 -3.916 -5.443 1.00 11.30 H new ATOM 131 N GLU A 12 9.853 -3.427 -4.375 1.00 44.11 N ATOM 132 CA GLU A 12 8.761 -3.531 -3.415 1.00 53.12 C ATOM 133 C GLU A 12 7.451 -3.877 -4.117 1.00 52.14 C ATOM 134 O GLU A 12 6.599 -4.571 -3.561 1.00 22.33 O ATOM 135 CB GLU A 12 8.606 -2.220 -2.641 1.00 22.43 C ATOM 136 CG GLU A 12 8.528 -2.409 -1.135 1.00 1.20 C ATOM 137 CD GLU A 12 9.894 -2.570 -0.496 1.00 34.33 C ATOM 138 OE1 GLU A 12 10.509 -1.543 -0.142 1.00 63.05 O ATOM 139 OE2 GLU A 12 10.346 -3.725 -0.349 1.00 22.05 O ATOM 0 H GLU A 12 10.223 -2.484 -4.493 1.00 44.11 H new ATOM 0 HA GLU A 12 9.001 -4.332 -2.715 1.00 53.12 H new ATOM 0 HB2 GLU A 12 9.448 -1.568 -2.874 1.00 22.43 H new ATOM 0 HB3 GLU A 12 7.705 -1.711 -2.982 1.00 22.43 H new ATOM 0 HG2 GLU A 12 8.022 -1.552 -0.691 1.00 1.20 H new ATOM 0 HG3 GLU A 12 7.922 -3.287 -0.914 1.00 1.20 H new ATOM 146 N LEU A 13 7.296 -3.388 -5.343 1.00 3.43 N ATOM 147 CA LEU A 13 6.090 -3.644 -6.122 1.00 42.24 C ATOM 148 C LEU A 13 5.860 -5.142 -6.293 1.00 42.12 C ATOM 149 O LEU A 13 4.724 -5.593 -6.437 1.00 33.22 O ATOM 150 CB LEU A 13 6.193 -2.973 -7.493 1.00 41.51 C ATOM 151 CG LEU A 13 4.900 -2.370 -8.044 1.00 3.31 C ATOM 152 CD1 LEU A 13 5.187 -1.063 -8.768 1.00 34.15 C ATOM 153 CD2 LEU A 13 4.206 -3.355 -8.973 1.00 11.11 C ATOM 0 H LEU A 13 7.991 -2.812 -5.819 1.00 3.43 H new ATOM 0 HA LEU A 13 5.242 -3.224 -5.581 1.00 42.24 H new ATOM 0 HB2 LEU A 13 6.942 -2.183 -7.433 1.00 41.51 H new ATOM 0 HB3 LEU A 13 6.561 -3.708 -8.208 1.00 41.51 H new ATOM 0 HG LEU A 13 4.234 -2.160 -7.207 1.00 3.31 H new ATOM 0 HD11 LEU A 13 4.256 -0.648 -9.153 1.00 34.15 H new ATOM 0 HD12 LEU A 13 5.640 -0.355 -8.074 1.00 34.15 H new ATOM 0 HD13 LEU A 13 5.871 -1.248 -9.596 1.00 34.15 H new ATOM 0 HD21 LEU A 13 3.288 -2.909 -9.356 1.00 11.11 H new ATOM 0 HD22 LEU A 13 4.866 -3.597 -9.806 1.00 11.11 H new ATOM 0 HD23 LEU A 13 3.966 -4.266 -8.424 1.00 11.11 H new ATOM 165 N ASP A 14 6.946 -5.908 -6.274 1.00 55.34 N ATOM 166 CA ASP A 14 6.862 -7.356 -6.424 1.00 2.12 C ATOM 167 C ASP A 14 6.050 -7.973 -5.290 1.00 21.44 C ATOM 168 O ASP A 14 5.197 -8.831 -5.518 1.00 31.22 O ATOM 169 CB ASP A 14 8.263 -7.968 -6.456 1.00 64.14 C ATOM 170 CG ASP A 14 8.535 -8.725 -7.742 1.00 12.12 C ATOM 171 OD1 ASP A 14 8.158 -8.218 -8.819 1.00 31.21 O ATOM 172 OD2 ASP A 14 9.123 -9.824 -7.670 1.00 63.35 O ATOM 0 H ASP A 14 7.894 -5.550 -6.156 1.00 55.34 H new ATOM 0 HA ASP A 14 6.358 -7.571 -7.366 1.00 2.12 H new ATOM 0 HB2 ASP A 14 9.004 -7.178 -6.339 1.00 64.14 H new ATOM 0 HB3 ASP A 14 8.381 -8.643 -5.608 1.00 64.14 H new ATOM 177 N LYS A 15 6.322 -7.532 -4.066 1.00 72.31 N ATOM 178 CA LYS A 15 5.617 -8.040 -2.895 1.00 62.41 C ATOM 179 C LYS A 15 4.215 -7.448 -2.804 1.00 55.24 C ATOM 180 O LYS A 15 3.253 -8.150 -2.492 1.00 60.45 O ATOM 181 CB LYS A 15 6.402 -7.717 -1.622 1.00 2.12 C ATOM 182 CG LYS A 15 6.963 -8.944 -0.925 1.00 23.31 C ATOM 183 CD LYS A 15 8.157 -8.594 -0.053 1.00 45.53 C ATOM 184 CE LYS A 15 8.861 -9.842 0.457 1.00 51.21 C ATOM 185 NZ LYS A 15 10.343 -9.708 0.395 1.00 12.22 N ATOM 0 H LYS A 15 7.026 -6.823 -3.859 1.00 72.31 H new ATOM 0 HA LYS A 15 5.529 -9.122 -2.996 1.00 62.41 H new ATOM 0 HB2 LYS A 15 7.223 -7.045 -1.872 1.00 2.12 H new ATOM 0 HB3 LYS A 15 5.751 -7.182 -0.930 1.00 2.12 H new ATOM 0 HG2 LYS A 15 6.186 -9.402 -0.313 1.00 23.31 H new ATOM 0 HG3 LYS A 15 7.259 -9.683 -1.670 1.00 23.31 H new ATOM 0 HD2 LYS A 15 8.860 -7.986 -0.623 1.00 45.53 H new ATOM 0 HD3 LYS A 15 7.827 -7.990 0.792 1.00 45.53 H new ATOM 0 HE2 LYS A 15 8.557 -10.036 1.486 1.00 51.21 H new ATOM 0 HE3 LYS A 15 8.549 -10.702 -0.135 1.00 51.21 H new ATOM 0 HZ1 LYS A 15 10.786 -10.579 0.751 1.00 12.22 H new ATOM 0 HZ2 LYS A 15 10.636 -9.548 -0.590 1.00 12.22 H new ATOM 0 HZ3 LYS A 15 10.644 -8.903 0.980 1.00 12.22 H new ATOM 199 N TRP A 16 4.105 -6.153 -3.080 1.00 65.42 N ATOM 200 CA TRP A 16 2.819 -5.467 -3.031 1.00 22.40 C ATOM 201 C TRP A 16 1.802 -6.153 -3.936 1.00 53.10 C ATOM 202 O TRP A 16 0.625 -6.258 -3.593 1.00 13.23 O ATOM 203 CB TRP A 16 2.983 -4.004 -3.444 1.00 14.45 C ATOM 204 CG TRP A 16 1.684 -3.260 -3.522 1.00 74.11 C ATOM 205 CD1 TRP A 16 1.102 -2.743 -4.644 1.00 51.22 C ATOM 206 CD2 TRP A 16 0.807 -2.949 -2.434 1.00 31.43 C ATOM 207 NE1 TRP A 16 -0.084 -2.129 -4.319 1.00 23.31 N ATOM 208 CE2 TRP A 16 -0.288 -2.243 -2.969 1.00 41.12 C ATOM 209 CE3 TRP A 16 0.839 -3.201 -1.059 1.00 52.15 C ATOM 210 CZ2 TRP A 16 -1.338 -1.786 -2.177 1.00 43.21 C ATOM 211 CZ3 TRP A 16 -0.204 -2.746 -0.275 1.00 22.33 C ATOM 212 CH2 TRP A 16 -1.280 -2.046 -0.835 1.00 14.01 C ATOM 0 H TRP A 16 4.891 -5.557 -3.340 1.00 65.42 H new ATOM 0 HA TRP A 16 2.451 -5.509 -2.006 1.00 22.40 H new ATOM 0 HB2 TRP A 16 3.638 -3.504 -2.731 1.00 14.45 H new ATOM 0 HB3 TRP A 16 3.477 -3.961 -4.415 1.00 14.45 H new ATOM 0 HD1 TRP A 16 1.513 -2.807 -5.641 1.00 51.22 H new ATOM 0 HE1 TRP A 16 -0.710 -1.664 -4.976 1.00 23.31 H new ATOM 0 HE3 TRP A 16 1.664 -3.741 -0.618 1.00 52.15 H new ATOM 0 HZ2 TRP A 16 -2.169 -1.246 -2.607 1.00 43.21 H new ATOM 0 HZ3 TRP A 16 -0.189 -2.934 0.788 1.00 22.33 H new ATOM 0 HH2 TRP A 16 -2.080 -1.705 -0.195 1.00 14.01 H new ATOM 223 N GLU A 17 2.263 -6.618 -5.093 1.00 3.03 N ATOM 224 CA GLU A 17 1.391 -7.293 -6.047 1.00 20.15 C ATOM 225 C GLU A 17 1.262 -8.776 -5.711 1.00 31.14 C ATOM 226 O GLU A 17 0.446 -9.488 -6.295 1.00 74.45 O ATOM 227 CB GLU A 17 1.928 -7.126 -7.469 1.00 62.25 C ATOM 228 CG GLU A 17 1.686 -5.745 -8.053 1.00 53.54 C ATOM 229 CD GLU A 17 1.542 -5.766 -9.563 1.00 33.22 C ATOM 230 OE1 GLU A 17 2.022 -6.733 -10.190 1.00 64.21 O ATOM 231 OE2 GLU A 17 0.949 -4.817 -10.116 1.00 50.15 O ATOM 0 H GLU A 17 3.235 -6.540 -5.392 1.00 3.03 H new ATOM 0 HA GLU A 17 0.403 -6.836 -5.984 1.00 20.15 H new ATOM 0 HB2 GLU A 17 2.999 -7.329 -7.470 1.00 62.25 H new ATOM 0 HB3 GLU A 17 1.462 -7.871 -8.114 1.00 62.25 H new ATOM 0 HG2 GLU A 17 0.784 -5.321 -7.612 1.00 53.54 H new ATOM 0 HG3 GLU A 17 2.513 -5.089 -7.780 1.00 53.54 H new ATOM 238 N LYS A 18 2.074 -9.235 -4.764 1.00 60.15 N ATOM 239 CA LYS A 18 2.052 -10.632 -4.348 1.00 61.44 C ATOM 240 C LYS A 18 0.926 -10.886 -3.351 1.00 51.43 C ATOM 241 O LYS A 18 0.536 -12.030 -3.119 1.00 23.34 O ATOM 242 CB LYS A 18 3.395 -11.022 -3.727 1.00 2.13 C ATOM 243 CG LYS A 18 3.611 -12.523 -3.637 1.00 45.32 C ATOM 244 CD LYS A 18 5.083 -12.865 -3.477 1.00 61.40 C ATOM 245 CE LYS A 18 5.457 -13.046 -2.014 1.00 4.41 C ATOM 246 NZ LYS A 18 6.578 -14.011 -1.843 1.00 4.11 N ATOM 0 H LYS A 18 2.756 -8.659 -4.270 1.00 60.15 H new ATOM 0 HA LYS A 18 1.876 -11.245 -5.232 1.00 61.44 H new ATOM 0 HB2 LYS A 18 4.200 -10.582 -4.316 1.00 2.13 H new ATOM 0 HB3 LYS A 18 3.462 -10.593 -2.727 1.00 2.13 H new ATOM 0 HG2 LYS A 18 3.050 -12.922 -2.792 1.00 45.32 H new ATOM 0 HG3 LYS A 18 3.220 -13.002 -4.535 1.00 45.32 H new ATOM 0 HD2 LYS A 18 5.307 -13.779 -4.027 1.00 61.40 H new ATOM 0 HD3 LYS A 18 5.691 -12.073 -3.914 1.00 61.40 H new ATOM 0 HE2 LYS A 18 5.739 -12.083 -1.590 1.00 4.41 H new ATOM 0 HE3 LYS A 18 4.588 -13.397 -1.458 1.00 4.41 H new ATOM 0 HZ1 LYS A 18 6.803 -14.107 -0.832 1.00 4.11 H new ATOM 0 HZ2 LYS A 18 6.300 -14.937 -2.225 1.00 4.11 H new ATOM 0 HZ3 LYS A 18 7.416 -13.664 -2.352 1.00 4.11 H new ATOM 260 N ILE A 19 0.407 -9.811 -2.767 1.00 34.21 N ATOM 261 CA ILE A 19 -0.676 -9.918 -1.797 1.00 55.13 C ATOM 262 C ILE A 19 -2.028 -10.035 -2.494 1.00 30.54 C ATOM 263 O ILE A 19 -2.318 -9.298 -3.436 1.00 35.31 O ATOM 264 CB ILE A 19 -0.704 -8.705 -0.848 1.00 72.25 C ATOM 265 CG1 ILE A 19 0.655 -8.531 -0.169 1.00 4.42 C ATOM 266 CG2 ILE A 19 -1.804 -8.870 0.190 1.00 52.14 C ATOM 267 CD1 ILE A 19 1.290 -7.181 -0.424 1.00 35.13 C ATOM 0 H ILE A 19 0.719 -8.857 -2.948 1.00 34.21 H new ATOM 0 HA ILE A 19 -0.490 -10.820 -1.215 1.00 55.13 H new ATOM 0 HB ILE A 19 -0.915 -7.809 -1.432 1.00 72.25 H new ATOM 0 HG12 ILE A 19 0.536 -8.670 0.905 1.00 4.42 H new ATOM 0 HG13 ILE A 19 1.329 -9.313 -0.519 1.00 4.42 H new ATOM 0 HG21 ILE A 19 -1.811 -8.005 0.853 1.00 52.14 H new ATOM 0 HG22 ILE A 19 -2.768 -8.951 -0.312 1.00 52.14 H new ATOM 0 HG23 ILE A 19 -1.622 -9.773 0.773 1.00 52.14 H new ATOM 0 HD11 ILE A 19 2.251 -7.128 0.088 1.00 35.13 H new ATOM 0 HD12 ILE A 19 1.442 -7.047 -1.495 1.00 35.13 H new ATOM 0 HD13 ILE A 19 0.635 -6.394 -0.049 1.00 35.13 H new ATOM 279 N ARG A 20 -2.851 -10.966 -2.022 1.00 75.01 N ATOM 280 CA ARG A 20 -4.173 -11.180 -2.599 1.00 12.20 C ATOM 281 C ARG A 20 -5.219 -10.322 -1.894 1.00 14.51 C ATOM 282 O ARG A 20 -5.159 -10.122 -0.680 1.00 4.31 O ATOM 283 CB ARG A 20 -4.562 -12.656 -2.504 1.00 64.54 C ATOM 284 CG ARG A 20 -3.652 -13.578 -3.301 1.00 0.32 C ATOM 285 CD ARG A 20 -4.003 -15.040 -3.074 1.00 53.30 C ATOM 286 NE ARG A 20 -2.883 -15.925 -3.378 1.00 65.40 N ATOM 287 CZ ARG A 20 -2.525 -16.261 -4.613 1.00 2.25 C ATOM 288 NH1 ARG A 20 -3.196 -15.786 -5.653 1.00 30.42 N ATOM 289 NH2 ARG A 20 -1.493 -17.072 -4.808 1.00 72.14 N ATOM 0 H ARG A 20 -2.626 -11.584 -1.242 1.00 75.01 H new ATOM 0 HA ARG A 20 -4.135 -10.888 -3.648 1.00 12.20 H new ATOM 0 HB2 ARG A 20 -4.547 -12.960 -1.457 1.00 64.54 H new ATOM 0 HB3 ARG A 20 -5.586 -12.777 -2.857 1.00 64.54 H new ATOM 0 HG2 ARG A 20 -3.734 -13.344 -4.362 1.00 0.32 H new ATOM 0 HG3 ARG A 20 -2.615 -13.403 -3.015 1.00 0.32 H new ATOM 0 HD2 ARG A 20 -4.307 -15.183 -2.037 1.00 53.30 H new ATOM 0 HD3 ARG A 20 -4.857 -15.309 -3.696 1.00 53.30 H new ATOM 0 HE ARG A 20 -2.345 -16.307 -2.600 1.00 65.40 H new ATOM 0 HH11 ARG A 20 -3.989 -15.161 -5.506 1.00 30.42 H new ATOM 0 HH12 ARG A 20 -2.919 -16.045 -6.600 1.00 30.42 H new ATOM 0 HH21 ARG A 20 -0.974 -17.438 -4.010 1.00 72.14 H new ATOM 0 HH22 ARG A 20 -1.219 -17.330 -5.756 1.00 72.14 H new ATOM 303 N LEU A 21 -6.178 -9.816 -2.662 1.00 62.14 N ATOM 304 CA LEU A 21 -7.238 -8.978 -2.112 1.00 61.40 C ATOM 305 C LEU A 21 -8.238 -9.815 -1.321 1.00 23.44 C ATOM 306 O LEU A 21 -8.680 -9.417 -0.243 1.00 53.11 O ATOM 307 CB LEU A 21 -7.958 -8.230 -3.235 1.00 10.32 C ATOM 308 CG LEU A 21 -7.150 -7.141 -3.942 1.00 64.41 C ATOM 309 CD1 LEU A 21 -7.825 -6.734 -5.242 1.00 73.42 C ATOM 310 CD2 LEU A 21 -6.969 -5.935 -3.032 1.00 62.13 C ATOM 0 H LEU A 21 -6.243 -9.972 -3.668 1.00 62.14 H new ATOM 0 HA LEU A 21 -6.782 -8.255 -1.436 1.00 61.40 H new ATOM 0 HB2 LEU A 21 -8.280 -8.957 -3.980 1.00 10.32 H new ATOM 0 HB3 LEU A 21 -8.859 -7.776 -2.823 1.00 10.32 H new ATOM 0 HG LEU A 21 -6.165 -7.543 -4.179 1.00 64.41 H new ATOM 0 HD11 LEU A 21 -7.235 -5.958 -5.731 1.00 73.42 H new ATOM 0 HD12 LEU A 21 -7.901 -7.600 -5.899 1.00 73.42 H new ATOM 0 HD13 LEU A 21 -8.823 -6.351 -5.029 1.00 73.42 H new ATOM 0 HD21 LEU A 21 -6.392 -5.170 -3.552 1.00 62.13 H new ATOM 0 HD22 LEU A 21 -7.946 -5.532 -2.763 1.00 62.13 H new ATOM 0 HD23 LEU A 21 -6.440 -6.237 -2.128 1.00 62.13 H new ATOM 322 N ARG A 22 -8.588 -10.978 -1.861 1.00 44.14 N ATOM 323 CA ARG A 22 -9.534 -11.872 -1.205 1.00 52.33 C ATOM 324 C ARG A 22 -8.815 -13.070 -0.593 1.00 33.22 C ATOM 325 O ARG A 22 -7.678 -13.387 -0.941 1.00 23.31 O ATOM 326 CB ARG A 22 -10.590 -12.352 -2.203 1.00 12.24 C ATOM 327 CG ARG A 22 -11.915 -11.616 -2.088 1.00 52.12 C ATOM 328 CD ARG A 22 -12.997 -12.283 -2.924 1.00 3.33 C ATOM 329 NE ARG A 22 -13.993 -12.955 -2.094 1.00 23.31 N ATOM 330 CZ ARG A 22 -14.949 -12.316 -1.430 1.00 53.33 C ATOM 331 NH1 ARG A 22 -15.039 -10.995 -1.499 1.00 52.25 N ATOM 332 NH2 ARG A 22 -15.819 -12.998 -0.696 1.00 41.10 N ATOM 0 H ARG A 22 -8.230 -11.323 -2.752 1.00 44.14 H new ATOM 0 HA ARG A 22 -10.025 -11.318 -0.405 1.00 52.33 H new ATOM 0 HB2 ARG A 22 -10.203 -12.231 -3.215 1.00 12.24 H new ATOM 0 HB3 ARG A 22 -10.762 -13.418 -2.053 1.00 12.24 H new ATOM 0 HG2 ARG A 22 -12.227 -11.586 -1.044 1.00 52.12 H new ATOM 0 HG3 ARG A 22 -11.788 -10.583 -2.412 1.00 52.12 H new ATOM 0 HD2 ARG A 22 -13.488 -11.534 -3.545 1.00 3.33 H new ATOM 0 HD3 ARG A 22 -12.539 -13.007 -3.599 1.00 3.33 H new ATOM 0 HE ARG A 22 -13.952 -13.972 -2.020 1.00 23.31 H new ATOM 0 HH11 ARG A 22 -14.373 -10.467 -2.063 1.00 52.25 H new ATOM 0 HH12 ARG A 22 -15.774 -10.507 -0.988 1.00 52.25 H new ATOM 0 HH21 ARG A 22 -15.754 -14.014 -0.641 1.00 41.10 H new ATOM 0 HH22 ARG A 22 -16.553 -12.506 -0.186 1.00 41.10 H new ATOM 346 N PRO A 23 -9.493 -13.753 0.342 1.00 11.30 N ATOM 347 CA PRO A 23 -8.939 -14.927 1.023 1.00 43.33 C ATOM 348 C PRO A 23 -8.814 -16.130 0.094 1.00 13.04 C ATOM 349 O PRO A 23 -7.765 -16.768 0.027 1.00 22.50 O ATOM 350 CB PRO A 23 -9.957 -15.209 2.130 1.00 53.40 C ATOM 351 CG PRO A 23 -11.235 -14.633 1.625 1.00 72.45 C ATOM 352 CD PRO A 23 -10.853 -13.431 0.806 1.00 31.21 C ATOM 0 HA PRO A 23 -7.929 -14.746 1.391 1.00 43.33 H new ATOM 0 HB2 PRO A 23 -10.052 -16.279 2.318 1.00 53.40 H new ATOM 0 HB3 PRO A 23 -9.658 -14.746 3.070 1.00 53.40 H new ATOM 0 HG2 PRO A 23 -11.779 -15.360 1.021 1.00 72.45 H new ATOM 0 HG3 PRO A 23 -11.889 -14.351 2.450 1.00 72.45 H new ATOM 0 HD2 PRO A 23 -11.537 -13.280 -0.029 1.00 31.21 H new ATOM 0 HD3 PRO A 23 -10.869 -12.518 1.401 1.00 31.21 H new ATOM 360 N GLY A 24 -9.893 -16.434 -0.621 1.00 31.10 N ATOM 361 CA GLY A 24 -9.883 -17.560 -1.536 1.00 70.23 C ATOM 362 C GLY A 24 -10.043 -17.134 -2.982 1.00 42.30 C ATOM 363 O GLY A 24 -10.596 -17.871 -3.797 1.00 32.14 O ATOM 0 H GLY A 24 -10.774 -15.921 -0.583 1.00 31.10 H new ATOM 0 HA2 GLY A 24 -8.947 -18.107 -1.423 1.00 70.23 H new ATOM 0 HA3 GLY A 24 -10.688 -18.246 -1.272 1.00 70.23 H new ATOM 367 N GLY A 25 -9.558 -15.938 -3.302 1.00 2.41 N ATOM 368 CA GLY A 25 -9.661 -15.434 -4.659 1.00 12.11 C ATOM 369 C GLY A 25 -8.329 -15.437 -5.381 1.00 43.25 C ATOM 370 O GLY A 25 -7.364 -16.045 -4.918 1.00 63.44 O ATOM 0 H GLY A 25 -9.096 -15.309 -2.645 1.00 2.41 H new ATOM 0 HA2 GLY A 25 -10.374 -16.042 -5.216 1.00 12.11 H new ATOM 0 HA3 GLY A 25 -10.057 -14.419 -4.637 1.00 12.11 H new ATOM 374 N LYS A 26 -8.274 -14.756 -6.521 1.00 71.23 N ATOM 375 CA LYS A 26 -7.051 -14.682 -7.311 1.00 25.11 C ATOM 376 C LYS A 26 -6.642 -13.231 -7.547 1.00 34.41 C ATOM 377 O LYS A 26 -5.643 -12.957 -8.211 1.00 41.14 O ATOM 378 CB LYS A 26 -7.241 -15.394 -8.652 1.00 64.20 C ATOM 379 CG LYS A 26 -7.543 -16.876 -8.516 1.00 73.42 C ATOM 380 CD LYS A 26 -7.650 -17.551 -9.874 1.00 5.43 C ATOM 381 CE LYS A 26 -8.963 -17.213 -10.563 1.00 1.15 C ATOM 382 NZ LYS A 26 -9.972 -18.295 -10.394 1.00 11.24 N ATOM 0 H LYS A 26 -9.063 -14.247 -6.919 1.00 71.23 H new ATOM 0 HA LYS A 26 -6.257 -15.178 -6.753 1.00 25.11 H new ATOM 0 HB2 LYS A 26 -8.054 -14.914 -9.196 1.00 64.20 H new ATOM 0 HB3 LYS A 26 -6.339 -15.269 -9.251 1.00 64.20 H new ATOM 0 HG2 LYS A 26 -6.758 -17.356 -7.931 1.00 73.42 H new ATOM 0 HG3 LYS A 26 -8.476 -17.009 -7.968 1.00 73.42 H new ATOM 0 HD2 LYS A 26 -6.817 -17.238 -10.503 1.00 5.43 H new ATOM 0 HD3 LYS A 26 -7.570 -18.631 -9.752 1.00 5.43 H new ATOM 0 HE2 LYS A 26 -9.357 -16.282 -10.156 1.00 1.15 H new ATOM 0 HE3 LYS A 26 -8.784 -17.046 -11.625 1.00 1.15 H new ATOM 0 HZ1 LYS A 26 -10.853 -18.027 -10.878 1.00 11.24 H new ATOM 0 HZ2 LYS A 26 -9.606 -19.178 -10.805 1.00 11.24 H new ATOM 0 HZ3 LYS A 26 -10.163 -18.437 -9.382 1.00 11.24 H new ATOM 396 N LYS A 27 -7.421 -12.306 -6.997 1.00 51.45 N ATOM 397 CA LYS A 27 -7.140 -10.883 -7.145 1.00 41.43 C ATOM 398 C LYS A 27 -6.039 -10.443 -6.185 1.00 52.11 C ATOM 399 O LYS A 27 -5.880 -11.014 -5.107 1.00 21.30 O ATOM 400 CB LYS A 27 -8.407 -10.062 -6.895 1.00 35.52 C ATOM 401 CG LYS A 27 -9.270 -9.882 -8.132 1.00 64.13 C ATOM 402 CD LYS A 27 -8.623 -8.934 -9.129 1.00 33.52 C ATOM 403 CE LYS A 27 -8.765 -9.444 -10.555 1.00 12.20 C ATOM 404 NZ LYS A 27 -8.647 -8.343 -11.551 1.00 73.43 N ATOM 0 H LYS A 27 -8.252 -12.516 -6.444 1.00 51.45 H new ATOM 0 HA LYS A 27 -6.799 -10.711 -8.166 1.00 41.43 H new ATOM 0 HB2 LYS A 27 -8.997 -10.548 -6.118 1.00 35.52 H new ATOM 0 HB3 LYS A 27 -8.124 -9.081 -6.514 1.00 35.52 H new ATOM 0 HG2 LYS A 27 -9.437 -10.850 -8.604 1.00 64.13 H new ATOM 0 HG3 LYS A 27 -10.247 -9.496 -7.842 1.00 64.13 H new ATOM 0 HD2 LYS A 27 -9.082 -7.949 -9.046 1.00 33.52 H new ATOM 0 HD3 LYS A 27 -7.567 -8.815 -8.887 1.00 33.52 H new ATOM 0 HE2 LYS A 27 -7.999 -10.194 -10.750 1.00 12.20 H new ATOM 0 HE3 LYS A 27 -9.731 -9.936 -10.670 1.00 12.20 H new ATOM 0 HZ1 LYS A 27 -8.749 -8.731 -12.511 1.00 73.43 H new ATOM 0 HZ2 LYS A 27 -9.393 -7.639 -11.381 1.00 73.43 H new ATOM 0 HZ3 LYS A 27 -7.716 -7.889 -11.458 1.00 73.43 H new ATOM 418 N GLN A 28 -5.284 -9.424 -6.584 1.00 35.11 N ATOM 419 CA GLN A 28 -4.200 -8.908 -5.757 1.00 63.33 C ATOM 420 C GLN A 28 -4.219 -7.384 -5.724 1.00 5.41 C ATOM 421 O GLN A 28 -5.121 -6.752 -6.273 1.00 54.20 O ATOM 422 CB GLN A 28 -2.851 -9.402 -6.283 1.00 23.02 C ATOM 423 CG GLN A 28 -2.655 -10.903 -6.142 1.00 74.01 C ATOM 424 CD GLN A 28 -2.149 -11.548 -7.417 1.00 51.23 C ATOM 425 OE1 GLN A 28 -2.918 -12.490 -7.951 1.00 31.41 O flip ATOM 426 NE2 GLN A 28 -1.078 -11.203 -7.918 1.00 14.34 N flip ATOM 0 H GLN A 28 -5.403 -8.940 -7.474 1.00 35.11 H new ATOM 0 HA GLN A 28 -4.344 -9.277 -4.741 1.00 63.33 H new ATOM 0 HB2 GLN A 28 -2.759 -9.129 -7.334 1.00 23.02 H new ATOM 0 HB3 GLN A 28 -2.052 -8.888 -5.749 1.00 23.02 H new ATOM 0 HG2 GLN A 28 -1.949 -11.099 -5.335 1.00 74.01 H new ATOM 0 HG3 GLN A 28 -3.601 -11.364 -5.857 1.00 74.01 H new ATOM 0 HE21 GLN A 28 -0.519 -10.475 -7.474 1.00 14.34 H new ATOM 0 HE22 GLN A 28 -0.751 -11.646 -8.777 1.00 14.34 H new ATOM 435 N TYR A 29 -3.217 -6.799 -5.076 1.00 51.22 N ATOM 436 CA TYR A 29 -3.120 -5.348 -4.969 1.00 12.14 C ATOM 437 C TYR A 29 -2.305 -4.769 -6.121 1.00 70.52 C ATOM 438 O TYR A 29 -1.377 -5.405 -6.622 1.00 71.11 O ATOM 439 CB TYR A 29 -2.486 -4.956 -3.633 1.00 44.23 C ATOM 440 CG TYR A 29 -3.437 -5.043 -2.462 1.00 34.23 C ATOM 441 CD1 TYR A 29 -4.277 -3.983 -2.143 1.00 3.41 C ATOM 442 CD2 TYR A 29 -3.497 -6.185 -1.673 1.00 61.41 C ATOM 443 CE1 TYR A 29 -5.148 -4.057 -1.073 1.00 25.50 C ATOM 444 CE2 TYR A 29 -4.366 -6.270 -0.602 1.00 44.34 C ATOM 445 CZ TYR A 29 -5.189 -5.203 -0.306 1.00 64.22 C ATOM 446 OH TYR A 29 -6.054 -5.283 0.761 1.00 53.25 O ATOM 0 H TYR A 29 -2.461 -7.307 -4.617 1.00 51.22 H new ATOM 0 HA TYR A 29 -4.128 -4.937 -5.020 1.00 12.14 H new ATOM 0 HB2 TYR A 29 -1.630 -5.603 -3.443 1.00 44.23 H new ATOM 0 HB3 TYR A 29 -2.106 -3.937 -3.706 1.00 44.23 H new ATOM 0 HD1 TYR A 29 -4.249 -3.085 -2.742 1.00 3.41 H new ATOM 0 HD2 TYR A 29 -2.853 -7.021 -1.901 1.00 61.41 H new ATOM 0 HE1 TYR A 29 -5.793 -3.223 -0.839 1.00 25.50 H new ATOM 0 HE2 TYR A 29 -4.401 -7.166 -0.000 1.00 44.34 H new ATOM 0 HH TYR A 29 -6.386 -6.201 0.845 1.00 53.25 H new ATOM 456 N LYS A 30 -2.658 -3.558 -6.537 1.00 72.14 N ATOM 457 CA LYS A 30 -1.960 -2.890 -7.629 1.00 53.04 C ATOM 458 C LYS A 30 -1.781 -1.405 -7.333 1.00 11.55 C ATOM 459 O LYS A 30 -2.361 -0.876 -6.383 1.00 73.30 O ATOM 460 CB LYS A 30 -2.730 -3.070 -8.940 1.00 11.23 C ATOM 461 CG LYS A 30 -2.072 -4.042 -9.903 1.00 72.41 C ATOM 462 CD LYS A 30 -3.103 -4.783 -10.738 1.00 70.41 C ATOM 463 CE LYS A 30 -2.971 -4.446 -12.215 1.00 51.52 C ATOM 464 NZ LYS A 30 -3.608 -3.140 -12.545 1.00 23.25 N ATOM 0 H LYS A 30 -3.424 -3.018 -6.134 1.00 72.14 H new ATOM 0 HA LYS A 30 -0.974 -3.344 -7.728 1.00 53.04 H new ATOM 0 HB2 LYS A 30 -3.737 -3.421 -8.715 1.00 11.23 H new ATOM 0 HB3 LYS A 30 -2.831 -2.101 -9.428 1.00 11.23 H new ATOM 0 HG2 LYS A 30 -1.392 -3.500 -10.560 1.00 72.41 H new ATOM 0 HG3 LYS A 30 -1.472 -4.759 -9.344 1.00 72.41 H new ATOM 0 HD2 LYS A 30 -2.983 -5.857 -10.597 1.00 70.41 H new ATOM 0 HD3 LYS A 30 -4.105 -4.526 -10.393 1.00 70.41 H new ATOM 0 HE2 LYS A 30 -1.916 -4.415 -12.488 1.00 51.52 H new ATOM 0 HE3 LYS A 30 -3.431 -5.235 -12.810 1.00 51.52 H new ATOM 0 HZ1 LYS A 30 -3.497 -2.946 -13.561 1.00 23.25 H new ATOM 0 HZ2 LYS A 30 -4.620 -3.178 -12.309 1.00 23.25 H new ATOM 0 HZ3 LYS A 30 -3.152 -2.383 -11.996 1.00 23.25 H new ATOM 478 N LEU A 31 -0.976 -0.735 -8.150 1.00 70.54 N ATOM 479 CA LEU A 31 -0.722 0.690 -7.976 1.00 43.43 C ATOM 480 C LEU A 31 -2.026 1.455 -7.772 1.00 5.15 C ATOM 481 O LEU A 31 -2.069 2.447 -7.043 1.00 63.04 O ATOM 482 CB LEU A 31 0.024 1.247 -9.190 1.00 42.41 C ATOM 483 CG LEU A 31 1.238 2.126 -8.887 1.00 2.23 C ATOM 484 CD1 LEU A 31 2.449 1.268 -8.556 1.00 63.21 C ATOM 485 CD2 LEU A 31 1.538 3.045 -10.062 1.00 4.32 C ATOM 0 H LEU A 31 -0.488 -1.156 -8.940 1.00 70.54 H new ATOM 0 HA LEU A 31 -0.104 0.818 -7.087 1.00 43.43 H new ATOM 0 HB2 LEU A 31 0.352 0.409 -9.806 1.00 42.41 H new ATOM 0 HB3 LEU A 31 -0.679 1.827 -9.789 1.00 42.41 H new ATOM 0 HG LEU A 31 1.008 2.743 -8.019 1.00 2.23 H new ATOM 0 HD11 LEU A 31 3.303 1.911 -8.343 1.00 63.21 H new ATOM 0 HD12 LEU A 31 2.231 0.653 -7.683 1.00 63.21 H new ATOM 0 HD13 LEU A 31 2.682 0.624 -9.404 1.00 63.21 H new ATOM 0 HD21 LEU A 31 2.405 3.663 -9.828 1.00 4.32 H new ATOM 0 HD22 LEU A 31 1.748 2.446 -10.948 1.00 4.32 H new ATOM 0 HD23 LEU A 31 0.677 3.685 -10.252 1.00 4.32 H new ATOM 497 N LYS A 32 -3.088 0.986 -8.417 1.00 10.01 N ATOM 498 CA LYS A 32 -4.395 1.622 -8.304 1.00 10.41 C ATOM 499 C LYS A 32 -4.724 1.935 -6.848 1.00 3.34 C ATOM 500 O LYS A 32 -5.319 2.970 -6.543 1.00 62.34 O ATOM 501 CB LYS A 32 -5.478 0.720 -8.900 1.00 21.24 C ATOM 502 CG LYS A 32 -6.056 1.243 -10.203 1.00 71.42 C ATOM 503 CD LYS A 32 -7.275 0.444 -10.632 1.00 75.03 C ATOM 504 CE LYS A 32 -8.520 0.875 -9.872 1.00 11.51 C ATOM 505 NZ LYS A 32 -8.918 -0.127 -8.845 1.00 2.43 N ATOM 0 H LYS A 32 -3.069 0.167 -9.024 1.00 10.01 H new ATOM 0 HA LYS A 32 -4.364 2.559 -8.861 1.00 10.41 H new ATOM 0 HB2 LYS A 32 -5.060 -0.272 -9.070 1.00 21.24 H new ATOM 0 HB3 LYS A 32 -6.284 0.606 -8.175 1.00 21.24 H new ATOM 0 HG2 LYS A 32 -6.330 2.292 -10.086 1.00 71.42 H new ATOM 0 HG3 LYS A 32 -5.297 1.197 -10.983 1.00 71.42 H new ATOM 0 HD2 LYS A 32 -7.438 0.573 -11.702 1.00 75.03 H new ATOM 0 HD3 LYS A 32 -7.094 -0.617 -10.463 1.00 75.03 H new ATOM 0 HE2 LYS A 32 -8.337 1.836 -9.390 1.00 11.51 H new ATOM 0 HE3 LYS A 32 -9.341 1.022 -10.574 1.00 11.51 H new ATOM 0 HZ1 LYS A 32 -9.447 0.346 -8.085 1.00 2.43 H new ATOM 0 HZ2 LYS A 32 -9.518 -0.854 -9.284 1.00 2.43 H new ATOM 0 HZ3 LYS A 32 -8.067 -0.574 -8.448 1.00 2.43 H new ATOM 519 N HIS A 33 -4.331 1.036 -5.951 1.00 13.14 N ATOM 520 CA HIS A 33 -4.582 1.217 -4.525 1.00 14.32 C ATOM 521 C HIS A 33 -3.578 2.192 -3.917 1.00 25.21 C ATOM 522 O HIS A 33 -4.023 3.091 -3.203 1.00 21.20 O ATOM 523 CB HIS A 33 -4.511 -0.126 -3.798 1.00 10.14 C ATOM 524 CG HIS A 33 -5.375 -1.185 -4.411 1.00 24.21 C ATOM 525 ND1 HIS A 33 -4.865 -2.287 -5.064 1.00 23.55 N ATOM 526 CD2 HIS A 33 -6.721 -1.307 -4.467 1.00 55.33 C ATOM 527 CE1 HIS A 33 -5.861 -3.040 -5.495 1.00 64.33 C ATOM 528 NE2 HIS A 33 -6.998 -2.467 -5.146 1.00 33.35 N ATOM 0 H HIS A 33 -3.837 0.175 -6.186 1.00 13.14 H new ATOM 0 HA HIS A 33 -5.583 1.632 -4.407 1.00 14.32 H new ATOM 0 HB2 HIS A 33 -3.477 -0.471 -3.790 1.00 10.14 H new ATOM 0 HB3 HIS A 33 -4.807 0.017 -2.759 1.00 10.14 H new ATOM 0 HD2 HIS A 33 -7.444 -0.619 -4.054 1.00 55.33 H new ATOM 0 HE1 HIS A 33 -5.762 -3.967 -6.040 1.00 64.33 H new ATOM 0 HE2 HIS A 33 -7.930 -2.828 -5.348 1.00 33.35 H new ATOM 536 N ILE A 34 -2.282 2.044 -4.171 1.00 23.44 N ATOM 537 CA ILE A 34 -1.286 2.950 -3.613 1.00 10.30 C ATOM 538 C ILE A 34 -1.654 4.405 -3.884 1.00 50.14 C ATOM 539 O ILE A 34 -1.337 5.295 -3.095 1.00 22.22 O ATOM 540 CB ILE A 34 0.115 2.671 -4.189 1.00 31.15 C ATOM 541 CG1 ILE A 34 0.591 1.277 -3.775 1.00 63.00 C ATOM 542 CG2 ILE A 34 1.100 3.733 -3.723 1.00 60.15 C ATOM 543 CD1 ILE A 34 1.273 0.516 -4.890 1.00 63.03 C ATOM 0 H ILE A 34 -1.897 1.305 -4.760 1.00 23.44 H new ATOM 0 HA ILE A 34 -1.269 2.776 -2.537 1.00 10.30 H new ATOM 0 HB ILE A 34 0.059 2.708 -5.277 1.00 31.15 H new ATOM 0 HG12 ILE A 34 1.280 1.372 -2.936 1.00 63.00 H new ATOM 0 HG13 ILE A 34 -0.264 0.700 -3.422 1.00 63.00 H new ATOM 0 HG21 ILE A 34 2.086 3.522 -4.138 1.00 60.15 H new ATOM 0 HG22 ILE A 34 0.765 4.713 -4.062 1.00 60.15 H new ATOM 0 HG23 ILE A 34 1.156 3.725 -2.634 1.00 60.15 H new ATOM 0 HD11 ILE A 34 1.584 -0.463 -4.525 1.00 63.03 H new ATOM 0 HD12 ILE A 34 0.580 0.390 -5.722 1.00 63.03 H new ATOM 0 HD13 ILE A 34 2.148 1.072 -5.228 1.00 63.03 H new ATOM 555 N VAL A 35 -2.327 4.640 -5.006 1.00 52.13 N ATOM 556 CA VAL A 35 -2.742 5.987 -5.381 1.00 62.32 C ATOM 557 C VAL A 35 -4.025 6.387 -4.663 1.00 34.35 C ATOM 558 O VAL A 35 -4.116 7.473 -4.090 1.00 64.14 O ATOM 559 CB VAL A 35 -2.960 6.104 -6.901 1.00 43.05 C ATOM 560 CG1 VAL A 35 -3.501 7.480 -7.259 1.00 21.11 C ATOM 561 CG2 VAL A 35 -1.665 5.821 -7.648 1.00 70.23 C ATOM 0 H VAL A 35 -2.597 3.915 -5.671 1.00 52.13 H new ATOM 0 HA VAL A 35 -1.938 6.660 -5.083 1.00 62.32 H new ATOM 0 HB VAL A 35 -3.697 5.360 -7.203 1.00 43.05 H new ATOM 0 HG11 VAL A 35 -3.649 7.544 -8.337 1.00 21.11 H new ATOM 0 HG12 VAL A 35 -4.453 7.640 -6.752 1.00 21.11 H new ATOM 0 HG13 VAL A 35 -2.790 8.244 -6.944 1.00 21.11 H new ATOM 0 HG21 VAL A 35 -1.837 5.908 -8.721 1.00 70.23 H new ATOM 0 HG22 VAL A 35 -0.905 6.540 -7.343 1.00 70.23 H new ATOM 0 HG23 VAL A 35 -1.324 4.812 -7.416 1.00 70.23 H new ATOM 571 N TRP A 36 -5.015 5.502 -4.696 1.00 14.12 N ATOM 572 CA TRP A 36 -6.295 5.763 -4.047 1.00 32.14 C ATOM 573 C TRP A 36 -6.109 6.003 -2.553 1.00 3.54 C ATOM 574 O TRP A 36 -6.751 6.877 -1.971 1.00 3.25 O ATOM 575 CB TRP A 36 -7.252 4.591 -4.271 1.00 55.34 C ATOM 576 CG TRP A 36 -8.539 4.722 -3.514 1.00 72.10 C ATOM 577 CD1 TRP A 36 -9.690 5.315 -3.949 1.00 61.24 C ATOM 578 CD2 TRP A 36 -8.805 4.251 -2.188 1.00 61.34 C ATOM 579 NE1 TRP A 36 -10.655 5.241 -2.974 1.00 70.41 N ATOM 580 CE2 TRP A 36 -10.137 4.592 -1.884 1.00 75.24 C ATOM 581 CE3 TRP A 36 -8.048 3.572 -1.230 1.00 1.34 C ATOM 582 CZ2 TRP A 36 -10.726 4.278 -0.662 1.00 65.31 C ATOM 583 CZ3 TRP A 36 -8.633 3.262 -0.017 1.00 21.42 C ATOM 584 CH2 TRP A 36 -9.961 3.613 0.258 1.00 11.32 C ATOM 0 H TRP A 36 -4.956 4.598 -5.165 1.00 14.12 H new ATOM 0 HA TRP A 36 -6.722 6.662 -4.491 1.00 32.14 H new ATOM 0 HB2 TRP A 36 -7.472 4.509 -5.335 1.00 55.34 H new ATOM 0 HB3 TRP A 36 -6.757 3.666 -3.975 1.00 55.34 H new ATOM 0 HD1 TRP A 36 -9.822 5.775 -4.917 1.00 61.24 H new ATOM 0 HE1 TRP A 36 -11.603 5.609 -3.049 1.00 70.41 H new ATOM 0 HE3 TRP A 36 -7.024 3.294 -1.434 1.00 1.34 H new ATOM 0 HZ2 TRP A 36 -11.749 4.549 -0.448 1.00 65.31 H new ATOM 0 HZ3 TRP A 36 -8.056 2.740 0.732 1.00 21.42 H new ATOM 0 HH2 TRP A 36 -10.390 3.354 1.215 1.00 11.32 H new ATOM 595 N ALA A 37 -5.226 5.223 -1.938 1.00 1.35 N ATOM 596 CA ALA A 37 -4.954 5.354 -0.512 1.00 1.15 C ATOM 597 C ALA A 37 -4.303 6.697 -0.198 1.00 31.04 C ATOM 598 O ALA A 37 -4.810 7.468 0.617 1.00 20.45 O ATOM 599 CB ALA A 37 -4.068 4.212 -0.036 1.00 43.14 C ATOM 0 H ALA A 37 -4.687 4.494 -2.405 1.00 1.35 H new ATOM 0 HA ALA A 37 -5.905 5.307 0.019 1.00 1.15 H new ATOM 0 HB1 ALA A 37 -3.873 4.323 1.031 1.00 43.14 H new ATOM 0 HB2 ALA A 37 -4.571 3.262 -0.216 1.00 43.14 H new ATOM 0 HB3 ALA A 37 -3.124 4.232 -0.581 1.00 43.14 H new ATOM 605 N SER A 38 -3.177 6.971 -0.849 1.00 73.51 N ATOM 606 CA SER A 38 -2.455 8.219 -0.636 1.00 23.03 C ATOM 607 C SER A 38 -3.382 9.419 -0.803 1.00 71.20 C ATOM 608 O SER A 38 -3.183 10.463 -0.181 1.00 63.35 O ATOM 609 CB SER A 38 -1.281 8.327 -1.612 1.00 34.14 C ATOM 610 OG SER A 38 -0.344 7.285 -1.400 1.00 14.23 O ATOM 0 H SER A 38 -2.745 6.345 -1.529 1.00 73.51 H new ATOM 0 HA SER A 38 -2.071 8.218 0.384 1.00 23.03 H new ATOM 0 HB2 SER A 38 -1.651 8.285 -2.637 1.00 34.14 H new ATOM 0 HB3 SER A 38 -0.790 9.292 -1.490 1.00 34.14 H new ATOM 0 HG SER A 38 -0.596 6.505 -1.937 1.00 14.23 H new ATOM 616 N ARG A 39 -4.396 9.262 -1.647 1.00 73.53 N ATOM 617 CA ARG A 39 -5.354 10.331 -1.898 1.00 54.42 C ATOM 618 C ARG A 39 -6.446 10.345 -0.832 1.00 73.54 C ATOM 619 O ARG A 39 -6.793 11.398 -0.299 1.00 23.22 O ATOM 620 CB ARG A 39 -5.982 10.169 -3.284 1.00 64.40 C ATOM 621 CG ARG A 39 -5.115 10.705 -4.412 1.00 22.34 C ATOM 622 CD ARG A 39 -5.403 12.172 -4.686 1.00 51.34 C ATOM 623 NE ARG A 39 -4.891 12.596 -5.987 1.00 14.52 N ATOM 624 CZ ARG A 39 -5.044 13.824 -6.472 1.00 74.40 C ATOM 625 NH1 ARG A 39 -5.690 14.743 -5.768 1.00 34.31 N ATOM 626 NH2 ARG A 39 -4.550 14.133 -7.664 1.00 10.42 N ATOM 0 H ARG A 39 -4.575 8.404 -2.169 1.00 73.53 H new ATOM 0 HA ARG A 39 -4.819 11.280 -1.858 1.00 54.42 H new ATOM 0 HB2 ARG A 39 -6.182 9.112 -3.462 1.00 64.40 H new ATOM 0 HB3 ARG A 39 -6.943 10.683 -3.300 1.00 64.40 H new ATOM 0 HG2 ARG A 39 -4.063 10.581 -4.154 1.00 22.34 H new ATOM 0 HG3 ARG A 39 -5.292 10.123 -5.317 1.00 22.34 H new ATOM 0 HD2 ARG A 39 -6.479 12.344 -4.646 1.00 51.34 H new ATOM 0 HD3 ARG A 39 -4.953 12.782 -3.903 1.00 51.34 H new ATOM 0 HE ARG A 39 -4.389 11.913 -6.554 1.00 14.52 H new ATOM 0 HH11 ARG A 39 -6.071 14.509 -4.851 1.00 34.31 H new ATOM 0 HH12 ARG A 39 -5.806 15.685 -6.143 1.00 34.31 H new ATOM 0 HH21 ARG A 39 -4.053 13.428 -8.208 1.00 10.42 H new ATOM 0 HH22 ARG A 39 -4.668 15.075 -8.036 1.00 10.42 H new ATOM 640 N GLU A 40 -6.984 9.167 -0.529 1.00 0.33 N ATOM 641 CA GLU A 40 -8.037 9.045 0.472 1.00 33.32 C ATOM 642 C GLU A 40 -7.619 9.701 1.785 1.00 74.10 C ATOM 643 O GLU A 40 -8.346 10.527 2.338 1.00 11.42 O ATOM 644 CB GLU A 40 -8.376 7.572 0.711 1.00 62.32 C ATOM 645 CG GLU A 40 -9.849 7.323 0.985 1.00 75.53 C ATOM 646 CD GLU A 40 -10.750 7.916 -0.082 1.00 25.33 C ATOM 647 OE1 GLU A 40 -10.953 7.256 -1.122 1.00 65.30 O ATOM 648 OE2 GLU A 40 -11.251 9.041 0.125 1.00 71.32 O ATOM 0 H GLU A 40 -6.708 8.285 -0.962 1.00 0.33 H new ATOM 0 HA GLU A 40 -8.922 9.558 0.095 1.00 33.32 H new ATOM 0 HB2 GLU A 40 -8.074 6.992 -0.161 1.00 62.32 H new ATOM 0 HB3 GLU A 40 -7.791 7.206 1.555 1.00 62.32 H new ATOM 0 HG2 GLU A 40 -10.026 6.249 1.049 1.00 75.53 H new ATOM 0 HG3 GLU A 40 -10.111 7.748 1.954 1.00 75.53 H new ATOM 655 N LEU A 41 -6.444 9.327 2.279 1.00 72.24 N ATOM 656 CA LEU A 41 -5.928 9.878 3.527 1.00 72.21 C ATOM 657 C LEU A 41 -5.979 11.402 3.511 1.00 5.21 C ATOM 658 O LEU A 41 -6.298 12.032 4.519 1.00 51.13 O ATOM 659 CB LEU A 41 -4.492 9.406 3.760 1.00 20.04 C ATOM 660 CG LEU A 41 -4.321 7.930 4.121 1.00 64.23 C ATOM 661 CD1 LEU A 41 -2.850 7.543 4.100 1.00 31.43 C ATOM 662 CD2 LEU A 41 -4.932 7.639 5.484 1.00 43.23 C ATOM 0 H LEU A 41 -5.830 8.644 1.834 1.00 72.24 H new ATOM 0 HA LEU A 41 -6.558 9.521 4.342 1.00 72.21 H new ATOM 0 HB2 LEU A 41 -3.914 9.608 2.859 1.00 20.04 H new ATOM 0 HB3 LEU A 41 -4.058 10.007 4.559 1.00 20.04 H new ATOM 0 HG LEU A 41 -4.844 7.331 3.376 1.00 64.23 H new ATOM 0 HD11 LEU A 41 -2.747 6.489 4.359 1.00 31.43 H new ATOM 0 HD12 LEU A 41 -2.443 7.713 3.103 1.00 31.43 H new ATOM 0 HD13 LEU A 41 -2.304 8.149 4.823 1.00 31.43 H new ATOM 0 HD21 LEU A 41 -4.801 6.584 5.724 1.00 43.23 H new ATOM 0 HD22 LEU A 41 -4.438 8.248 6.242 1.00 43.23 H new ATOM 0 HD23 LEU A 41 -5.996 7.877 5.464 1.00 43.23 H new ATOM 674 N GLU A 42 -5.663 11.988 2.360 1.00 23.12 N ATOM 675 CA GLU A 42 -5.674 13.439 2.214 1.00 64.41 C ATOM 676 C GLU A 42 -7.045 14.010 2.561 1.00 12.25 C ATOM 677 O GLU A 42 -7.159 15.153 3.006 1.00 62.31 O ATOM 678 CB GLU A 42 -5.292 13.832 0.785 1.00 0.34 C ATOM 679 CG GLU A 42 -4.971 15.309 0.626 1.00 32.11 C ATOM 680 CD GLU A 42 -6.036 16.057 -0.152 1.00 74.43 C ATOM 681 OE1 GLU A 42 -7.192 16.105 0.319 1.00 43.53 O ATOM 682 OE2 GLU A 42 -5.714 16.593 -1.233 1.00 3.21 O ATOM 0 H GLU A 42 -5.397 11.481 1.516 1.00 23.12 H new ATOM 0 HA GLU A 42 -4.941 13.854 2.906 1.00 64.41 H new ATOM 0 HB2 GLU A 42 -4.427 13.245 0.474 1.00 0.34 H new ATOM 0 HB3 GLU A 42 -6.111 13.572 0.114 1.00 0.34 H new ATOM 0 HG2 GLU A 42 -4.861 15.761 1.612 1.00 32.11 H new ATOM 0 HG3 GLU A 42 -4.013 15.416 0.118 1.00 32.11 H new ATOM 689 N ARG A 43 -8.084 13.207 2.355 1.00 41.31 N ATOM 690 CA ARG A 43 -9.448 13.633 2.644 1.00 20.13 C ATOM 691 C ARG A 43 -9.834 13.282 4.078 1.00 13.22 C ATOM 692 O ARG A 43 -10.762 13.863 4.642 1.00 1.11 O ATOM 693 CB ARG A 43 -10.427 12.980 1.667 1.00 61.22 C ATOM 694 CG ARG A 43 -11.816 13.596 1.693 1.00 40.11 C ATOM 695 CD ARG A 43 -11.842 14.942 0.985 1.00 61.42 C ATOM 696 NE ARG A 43 -12.100 14.802 -0.446 1.00 11.31 N ATOM 697 CZ ARG A 43 -12.268 15.834 -1.266 1.00 72.51 C ATOM 698 NH1 ARG A 43 -12.205 17.073 -0.800 1.00 11.03 N ATOM 699 NH2 ARG A 43 -12.499 15.626 -2.556 1.00 75.11 N ATOM 0 H ARG A 43 -8.007 12.258 1.989 1.00 41.31 H new ATOM 0 HA ARG A 43 -9.497 14.716 2.527 1.00 20.13 H new ATOM 0 HB2 ARG A 43 -10.024 13.056 0.657 1.00 61.22 H new ATOM 0 HB3 ARG A 43 -10.505 11.918 1.900 1.00 61.22 H new ATOM 0 HG2 ARG A 43 -12.524 12.919 1.216 1.00 40.11 H new ATOM 0 HG3 ARG A 43 -12.141 13.721 2.726 1.00 40.11 H new ATOM 0 HD2 ARG A 43 -12.611 15.572 1.432 1.00 61.42 H new ATOM 0 HD3 ARG A 43 -10.888 15.449 1.134 1.00 61.42 H new ATOM 0 HE ARG A 43 -12.154 13.861 -0.837 1.00 11.31 H new ATOM 0 HH11 ARG A 43 -12.027 17.237 0.191 1.00 11.03 H new ATOM 0 HH12 ARG A 43 -12.334 17.863 -1.432 1.00 11.03 H new ATOM 0 HH21 ARG A 43 -12.548 14.674 -2.918 1.00 75.11 H new ATOM 0 HH22 ARG A 43 -12.628 16.418 -3.185 1.00 75.11 H new ATOM 713 N PHE A 44 -9.117 12.328 4.662 1.00 10.12 N ATOM 714 CA PHE A 44 -9.385 11.899 6.030 1.00 74.43 C ATOM 715 C PHE A 44 -8.498 12.648 7.019 1.00 14.43 C ATOM 716 O PHE A 44 -8.135 12.118 8.068 1.00 4.05 O ATOM 717 CB PHE A 44 -9.161 10.391 6.167 1.00 41.32 C ATOM 718 CG PHE A 44 -10.371 9.571 5.820 1.00 5.12 C ATOM 719 CD1 PHE A 44 -11.584 9.803 6.447 1.00 11.14 C ATOM 720 CD2 PHE A 44 -10.294 8.569 4.867 1.00 73.32 C ATOM 721 CE1 PHE A 44 -12.698 9.049 6.131 1.00 53.21 C ATOM 722 CE2 PHE A 44 -11.405 7.812 4.546 1.00 74.23 C ATOM 723 CZ PHE A 44 -12.609 8.053 5.178 1.00 13.20 C ATOM 0 H PHE A 44 -8.346 11.837 4.210 1.00 10.12 H new ATOM 0 HA PHE A 44 -10.426 12.127 6.258 1.00 74.43 H new ATOM 0 HB2 PHE A 44 -8.334 10.095 5.522 1.00 41.32 H new ATOM 0 HB3 PHE A 44 -8.862 10.168 7.191 1.00 41.32 H new ATOM 0 HD1 PHE A 44 -11.660 10.582 7.191 1.00 11.14 H new ATOM 0 HD2 PHE A 44 -9.355 8.377 4.369 1.00 73.32 H new ATOM 0 HE1 PHE A 44 -13.638 9.238 6.629 1.00 53.21 H new ATOM 0 HE2 PHE A 44 -11.332 7.033 3.802 1.00 74.23 H new ATOM 0 HZ PHE A 44 -13.479 7.464 4.928 1.00 13.20 H new ATOM 733 N ALA A 45 -8.154 13.885 6.676 1.00 3.23 N ATOM 734 CA ALA A 45 -7.311 14.709 7.534 1.00 22.00 C ATOM 735 C ALA A 45 -6.026 13.977 7.908 1.00 35.11 C ATOM 736 O ALA A 45 -5.394 14.288 8.918 1.00 73.43 O ATOM 737 CB ALA A 45 -8.072 15.117 8.787 1.00 42.23 C ATOM 0 H ALA A 45 -8.446 14.339 5.810 1.00 3.23 H new ATOM 0 HA ALA A 45 -7.038 15.607 6.979 1.00 22.00 H new ATOM 0 HB1 ALA A 45 -7.430 15.732 9.418 1.00 42.23 H new ATOM 0 HB2 ALA A 45 -8.958 15.687 8.506 1.00 42.23 H new ATOM 0 HB3 ALA A 45 -8.374 14.225 9.336 1.00 42.23 H new ATOM 743 N VAL A 46 -5.646 13.002 7.088 1.00 11.21 N ATOM 744 CA VAL A 46 -4.437 12.226 7.333 1.00 65.22 C ATOM 745 C VAL A 46 -3.435 12.396 6.196 1.00 21.21 C ATOM 746 O VAL A 46 -3.772 12.217 5.027 1.00 62.54 O ATOM 747 CB VAL A 46 -4.755 10.728 7.502 1.00 53.43 C ATOM 748 CG1 VAL A 46 -3.474 9.923 7.651 1.00 23.12 C ATOM 749 CG2 VAL A 46 -5.674 10.511 8.695 1.00 63.12 C ATOM 0 H VAL A 46 -6.158 12.731 6.249 1.00 11.21 H new ATOM 0 HA VAL A 46 -4.001 12.604 8.258 1.00 65.22 H new ATOM 0 HB VAL A 46 -5.271 10.380 6.607 1.00 53.43 H new ATOM 0 HG11 VAL A 46 -3.719 8.868 7.769 1.00 23.12 H new ATOM 0 HG12 VAL A 46 -2.856 10.055 6.763 1.00 23.12 H new ATOM 0 HG13 VAL A 46 -2.927 10.269 8.528 1.00 23.12 H new ATOM 0 HG21 VAL A 46 -5.889 9.448 8.800 1.00 63.12 H new ATOM 0 HG22 VAL A 46 -5.187 10.874 9.600 1.00 63.12 H new ATOM 0 HG23 VAL A 46 -6.605 11.056 8.541 1.00 63.12 H new ATOM 759 N ASN A 47 -2.201 12.743 6.549 1.00 73.33 N ATOM 760 CA ASN A 47 -1.149 12.937 5.558 1.00 52.24 C ATOM 761 C ASN A 47 -0.686 11.600 4.987 1.00 41.54 C ATOM 762 O ASN A 47 -0.504 10.619 5.707 1.00 21.02 O ATOM 763 CB ASN A 47 0.036 13.677 6.180 1.00 24.04 C ATOM 764 CG ASN A 47 -0.315 15.096 6.584 1.00 21.24 C ATOM 765 OD1 ASN A 47 -0.336 16.003 5.752 1.00 34.22 O ATOM 766 ND2 ASN A 47 -0.592 15.294 7.868 1.00 72.21 N ATOM 0 H ASN A 47 -1.906 12.895 7.513 1.00 73.33 H new ATOM 0 HA ASN A 47 -1.557 13.537 4.745 1.00 52.24 H new ATOM 0 HB2 ASN A 47 0.384 13.129 7.055 1.00 24.04 H new ATOM 0 HB3 ASN A 47 0.861 13.699 5.468 1.00 24.04 H new ATOM 0 HD21 ASN A 47 -0.834 16.228 8.199 1.00 72.21 H new ATOM 0 HD22 ASN A 47 -0.562 14.512 8.523 1.00 72.21 H new ATOM 773 N PRO A 48 -0.490 11.560 3.660 1.00 24.23 N ATOM 774 CA PRO A 48 -0.044 10.350 2.963 1.00 62.11 C ATOM 775 C PRO A 48 1.403 9.994 3.287 1.00 61.03 C ATOM 776 O PRO A 48 1.911 8.962 2.850 1.00 45.30 O ATOM 777 CB PRO A 48 -0.185 10.720 1.484 1.00 13.34 C ATOM 778 CG PRO A 48 -0.077 12.206 1.454 1.00 31.20 C ATOM 779 CD PRO A 48 -0.687 12.692 2.740 1.00 71.14 C ATOM 0 HA PRO A 48 -0.624 9.475 3.255 1.00 62.11 H new ATOM 0 HB2 PRO A 48 0.596 10.254 0.883 1.00 13.34 H new ATOM 0 HB3 PRO A 48 -1.140 10.384 1.081 1.00 13.34 H new ATOM 0 HG2 PRO A 48 0.964 12.520 1.373 1.00 31.20 H new ATOM 0 HG3 PRO A 48 -0.603 12.618 0.593 1.00 31.20 H new ATOM 0 HD2 PRO A 48 -0.195 13.595 3.102 1.00 71.14 H new ATOM 0 HD3 PRO A 48 -1.743 12.932 2.618 1.00 71.14 H new ATOM 787 N GLY A 49 2.062 10.855 4.056 1.00 11.41 N ATOM 788 CA GLY A 49 3.444 10.613 4.425 1.00 3.35 C ATOM 789 C GLY A 49 3.578 9.581 5.527 1.00 33.22 C ATOM 790 O GLY A 49 4.668 9.367 6.059 1.00 30.21 O ATOM 0 H GLY A 49 1.663 11.716 4.430 1.00 11.41 H new ATOM 0 HA2 GLY A 49 3.997 10.277 3.548 1.00 3.35 H new ATOM 0 HA3 GLY A 49 3.899 11.549 4.750 1.00 3.35 H new ATOM 794 N LEU A 50 2.467 8.940 5.873 1.00 73.23 N ATOM 795 CA LEU A 50 2.463 7.925 6.920 1.00 24.43 C ATOM 796 C LEU A 50 2.699 6.536 6.334 1.00 45.40 C ATOM 797 O LEU A 50 3.009 5.589 7.058 1.00 12.11 O ATOM 798 CB LEU A 50 1.136 7.951 7.679 1.00 14.13 C ATOM 799 CG LEU A 50 0.761 9.283 8.330 1.00 11.11 C ATOM 800 CD1 LEU A 50 -0.637 9.212 8.924 1.00 53.40 C ATOM 801 CD2 LEU A 50 1.778 9.660 9.398 1.00 75.50 C ATOM 0 H LEU A 50 1.557 9.106 5.443 1.00 73.23 H new ATOM 0 HA LEU A 50 3.275 8.150 7.612 1.00 24.43 H new ATOM 0 HB2 LEU A 50 0.340 7.670 6.989 1.00 14.13 H new ATOM 0 HB3 LEU A 50 1.169 7.187 8.455 1.00 14.13 H new ATOM 0 HG LEU A 50 0.768 10.056 7.561 1.00 11.11 H new ATOM 0 HD11 LEU A 50 -0.886 10.169 9.383 1.00 53.40 H new ATOM 0 HD12 LEU A 50 -1.356 8.989 8.136 1.00 53.40 H new ATOM 0 HD13 LEU A 50 -0.672 8.427 9.680 1.00 53.40 H new ATOM 0 HD21 LEU A 50 1.495 10.610 9.850 1.00 75.50 H new ATOM 0 HD22 LEU A 50 1.804 8.886 10.165 1.00 75.50 H new ATOM 0 HD23 LEU A 50 2.765 9.754 8.944 1.00 75.50 H new ATOM 813 N LEU A 51 2.554 6.423 5.018 1.00 32.05 N ATOM 814 CA LEU A 51 2.753 5.151 4.333 1.00 25.54 C ATOM 815 C LEU A 51 4.239 4.864 4.139 1.00 50.24 C ATOM 816 O LEU A 51 4.618 3.783 3.690 1.00 42.25 O ATOM 817 CB LEU A 51 2.043 5.161 2.979 1.00 35.11 C ATOM 818 CG LEU A 51 0.564 5.550 3.000 1.00 0.51 C ATOM 819 CD1 LEU A 51 0.168 6.214 1.690 1.00 21.40 C ATOM 820 CD2 LEU A 51 -0.305 4.330 3.266 1.00 13.24 C ATOM 0 H LEU A 51 2.299 7.197 4.404 1.00 32.05 H new ATOM 0 HA LEU A 51 2.327 4.362 4.953 1.00 25.54 H new ATOM 0 HB2 LEU A 51 2.570 5.851 2.320 1.00 35.11 H new ATOM 0 HB3 LEU A 51 2.131 4.168 2.538 1.00 35.11 H new ATOM 0 HG LEU A 51 0.408 6.265 3.808 1.00 0.51 H new ATOM 0 HD11 LEU A 51 -0.888 6.484 1.723 1.00 21.40 H new ATOM 0 HD12 LEU A 51 0.768 7.112 1.541 1.00 21.40 H new ATOM 0 HD13 LEU A 51 0.340 5.523 0.865 1.00 21.40 H new ATOM 0 HD21 LEU A 51 -1.354 4.626 3.277 1.00 13.24 H new ATOM 0 HD22 LEU A 51 -0.145 3.591 2.481 1.00 13.24 H new ATOM 0 HD23 LEU A 51 -0.040 3.898 4.231 1.00 13.24 H new ATOM 832 N GLU A 52 5.074 5.840 4.482 1.00 65.33 N ATOM 833 CA GLU A 52 6.519 5.691 4.345 1.00 34.24 C ATOM 834 C GLU A 52 7.165 5.395 5.696 1.00 50.42 C ATOM 835 O GLU A 52 8.191 5.979 6.048 1.00 71.14 O ATOM 836 CB GLU A 52 7.129 6.957 3.741 1.00 24.03 C ATOM 837 CG GLU A 52 6.690 8.235 4.435 1.00 53.43 C ATOM 838 CD GLU A 52 7.463 9.451 3.962 1.00 1.11 C ATOM 839 OE1 GLU A 52 8.627 9.288 3.540 1.00 31.52 O ATOM 840 OE2 GLU A 52 6.904 10.567 4.014 1.00 34.53 O ATOM 0 H GLU A 52 4.776 6.741 4.856 1.00 65.33 H new ATOM 0 HA GLU A 52 6.711 4.851 3.678 1.00 34.24 H new ATOM 0 HB2 GLU A 52 8.216 6.884 3.786 1.00 24.03 H new ATOM 0 HB3 GLU A 52 6.857 7.014 2.687 1.00 24.03 H new ATOM 0 HG2 GLU A 52 5.626 8.394 4.257 1.00 53.43 H new ATOM 0 HG3 GLU A 52 6.820 8.123 5.511 1.00 53.43 H new ATOM 847 N THR A 53 6.557 4.485 6.450 1.00 72.11 N ATOM 848 CA THR A 53 7.071 4.112 7.762 1.00 55.51 C ATOM 849 C THR A 53 6.249 2.984 8.374 1.00 14.02 C ATOM 850 O THR A 53 5.033 3.101 8.526 1.00 73.30 O ATOM 851 CB THR A 53 7.071 5.313 8.727 1.00 43.45 C ATOM 852 OG1 THR A 53 6.916 4.859 10.075 1.00 34.53 O ATOM 853 CG2 THR A 53 5.953 6.285 8.381 1.00 0.35 C ATOM 0 H THR A 53 5.707 3.992 6.174 1.00 72.11 H new ATOM 0 HA THR A 53 8.096 3.773 7.615 1.00 55.51 H new ATOM 0 HB THR A 53 8.025 5.831 8.627 1.00 43.45 H new ATOM 0 HG1 THR A 53 6.919 5.629 10.682 1.00 34.53 H new ATOM 0 HG21 THR A 53 5.973 7.125 9.076 1.00 0.35 H new ATOM 0 HG22 THR A 53 6.092 6.652 7.364 1.00 0.35 H new ATOM 0 HG23 THR A 53 4.992 5.776 8.455 1.00 0.35 H new ATOM 861 N SER A 54 6.920 1.892 8.725 1.00 63.12 N ATOM 862 CA SER A 54 6.251 0.740 9.318 1.00 12.42 C ATOM 863 C SER A 54 5.400 1.162 10.512 1.00 10.42 C ATOM 864 O SER A 54 4.318 0.621 10.738 1.00 2.55 O ATOM 865 CB SER A 54 7.279 -0.305 9.754 1.00 30.24 C ATOM 866 OG SER A 54 7.622 -0.144 11.120 1.00 70.51 O ATOM 0 H SER A 54 7.927 1.781 8.609 1.00 63.12 H new ATOM 0 HA SER A 54 5.597 0.303 8.564 1.00 12.42 H new ATOM 0 HB2 SER A 54 6.877 -1.305 9.592 1.00 30.24 H new ATOM 0 HB3 SER A 54 8.174 -0.218 9.138 1.00 30.24 H new ATOM 0 HG SER A 54 8.544 -0.443 11.263 1.00 70.51 H new ATOM 872 N GLU A 55 5.898 2.132 11.273 1.00 41.55 N ATOM 873 CA GLU A 55 5.184 2.627 12.444 1.00 23.20 C ATOM 874 C GLU A 55 4.068 3.584 12.037 1.00 10.30 C ATOM 875 O GLU A 55 3.081 3.745 12.753 1.00 32.45 O ATOM 876 CB GLU A 55 6.151 3.330 13.399 1.00 63.20 C ATOM 877 CG GLU A 55 6.404 2.560 14.685 1.00 44.45 C ATOM 878 CD GLU A 55 6.418 3.457 15.908 1.00 63.53 C ATOM 879 OE1 GLU A 55 6.686 4.666 15.754 1.00 5.45 O ATOM 880 OE2 GLU A 55 6.161 2.947 17.018 1.00 15.15 O ATOM 0 H GLU A 55 6.793 2.590 11.099 1.00 41.55 H new ATOM 0 HA GLU A 55 4.738 1.773 12.954 1.00 23.20 H new ATOM 0 HB2 GLU A 55 7.101 3.490 12.888 1.00 63.20 H new ATOM 0 HB3 GLU A 55 5.753 4.314 13.647 1.00 63.20 H new ATOM 0 HG2 GLU A 55 5.633 1.799 14.806 1.00 44.45 H new ATOM 0 HG3 GLU A 55 7.358 2.039 14.610 1.00 44.45 H new ATOM 887 N GLY A 56 4.233 4.219 10.881 1.00 42.45 N ATOM 888 CA GLY A 56 3.233 5.154 10.398 1.00 61.42 C ATOM 889 C GLY A 56 1.956 4.463 9.964 1.00 72.55 C ATOM 890 O GLY A 56 0.857 4.908 10.296 1.00 51.51 O ATOM 0 H GLY A 56 5.041 4.103 10.270 1.00 42.45 H new ATOM 0 HA2 GLY A 56 3.004 5.874 11.183 1.00 61.42 H new ATOM 0 HA3 GLY A 56 3.641 5.717 9.559 1.00 61.42 H new ATOM 894 N CYS A 57 2.099 3.373 9.218 1.00 21.50 N ATOM 895 CA CYS A 57 0.947 2.620 8.735 1.00 31.30 C ATOM 896 C CYS A 57 0.098 2.118 9.899 1.00 2.40 C ATOM 897 O CYS A 57 -1.069 2.487 10.033 1.00 61.40 O ATOM 898 CB CYS A 57 1.406 1.440 7.877 1.00 33.42 C ATOM 899 SG CYS A 57 1.740 1.867 6.152 1.00 22.24 S ATOM 0 H CYS A 57 3.001 2.991 8.935 1.00 21.50 H new ATOM 0 HA CYS A 57 0.338 3.288 8.126 1.00 31.30 H new ATOM 0 HB2 CYS A 57 2.308 1.015 8.316 1.00 33.42 H new ATOM 0 HB3 CYS A 57 0.641 0.664 7.906 1.00 33.42 H new ATOM 0 HG CYS A 57 2.981 1.601 5.872 1.00 22.24 H new ATOM 905 N ARG A 58 0.692 1.275 10.737 1.00 10.33 N ATOM 906 CA ARG A 58 -0.010 0.721 11.888 1.00 33.14 C ATOM 907 C ARG A 58 -0.751 1.815 12.652 1.00 72.12 C ATOM 908 O ARG A 58 -1.878 1.614 13.105 1.00 42.04 O ATOM 909 CB ARG A 58 0.974 0.011 12.820 1.00 51.20 C ATOM 910 CG ARG A 58 0.476 -1.335 13.321 1.00 11.40 C ATOM 911 CD ARG A 58 0.373 -1.361 14.838 1.00 3.00 C ATOM 912 NE ARG A 58 1.686 -1.426 15.474 1.00 2.24 N ATOM 913 CZ ARG A 58 1.869 -1.372 16.789 1.00 42.40 C ATOM 914 NH1 ARG A 58 0.829 -1.253 17.602 1.00 13.31 N ATOM 915 NH2 ARG A 58 3.095 -1.437 17.293 1.00 40.24 N ATOM 0 H ARG A 58 1.658 0.961 10.640 1.00 10.33 H new ATOM 0 HA ARG A 58 -0.740 -0.001 11.523 1.00 33.14 H new ATOM 0 HB2 ARG A 58 1.919 -0.133 12.295 1.00 51.20 H new ATOM 0 HB3 ARG A 58 1.179 0.654 13.676 1.00 51.20 H new ATOM 0 HG2 ARG A 58 -0.500 -1.548 12.885 1.00 11.40 H new ATOM 0 HG3 ARG A 58 1.153 -2.122 12.988 1.00 11.40 H new ATOM 0 HD2 ARG A 58 -0.152 -0.470 15.181 1.00 3.00 H new ATOM 0 HD3 ARG A 58 -0.222 -2.220 15.146 1.00 3.00 H new ATOM 0 HE ARG A 58 2.507 -1.518 14.876 1.00 2.24 H new ATOM 0 HH11 ARG A 58 -0.115 -1.203 17.219 1.00 13.31 H new ATOM 0 HH12 ARG A 58 0.973 -1.212 18.611 1.00 13.31 H new ATOM 0 HH21 ARG A 58 3.898 -1.528 16.671 1.00 40.24 H new ATOM 0 HH22 ARG A 58 3.234 -1.395 18.303 1.00 40.24 H new ATOM 929 N GLN A 59 -0.110 2.971 12.790 1.00 20.22 N ATOM 930 CA GLN A 59 -0.708 4.095 13.500 1.00 52.42 C ATOM 931 C GLN A 59 -2.009 4.531 12.832 1.00 25.33 C ATOM 932 O GLN A 59 -3.013 4.768 13.504 1.00 41.31 O ATOM 933 CB GLN A 59 0.270 5.270 13.553 1.00 12.42 C ATOM 934 CG GLN A 59 -0.093 6.317 14.595 1.00 63.24 C ATOM 935 CD GLN A 59 1.095 7.163 15.010 1.00 53.04 C ATOM 936 OE1 GLN A 59 2.094 6.647 15.511 1.00 43.43 O ATOM 937 NE2 GLN A 59 0.991 8.471 14.803 1.00 64.45 N ATOM 0 H GLN A 59 0.823 3.154 12.420 1.00 20.22 H new ATOM 0 HA GLN A 59 -0.933 3.772 14.516 1.00 52.42 H new ATOM 0 HB2 GLN A 59 1.270 4.891 13.764 1.00 12.42 H new ATOM 0 HB3 GLN A 59 0.309 5.744 12.572 1.00 12.42 H new ATOM 0 HG2 GLN A 59 -0.874 6.965 14.197 1.00 63.24 H new ATOM 0 HG3 GLN A 59 -0.506 5.822 15.474 1.00 63.24 H new ATOM 0 HE21 GLN A 59 0.144 8.855 14.385 1.00 64.45 H new ATOM 0 HE22 GLN A 59 1.758 9.091 15.062 1.00 64.45 H new ATOM 946 N ILE A 60 -1.982 4.634 11.508 1.00 72.42 N ATOM 947 CA ILE A 60 -3.159 5.040 10.750 1.00 33.22 C ATOM 948 C ILE A 60 -4.354 4.148 11.071 1.00 12.52 C ATOM 949 O ILE A 60 -5.466 4.634 11.284 1.00 50.43 O ATOM 950 CB ILE A 60 -2.895 4.998 9.234 1.00 63.25 C ATOM 951 CG1 ILE A 60 -1.734 5.927 8.870 1.00 35.23 C ATOM 952 CG2 ILE A 60 -4.150 5.384 8.466 1.00 51.40 C ATOM 953 CD1 ILE A 60 -0.945 5.465 7.666 1.00 61.24 C ATOM 0 H ILE A 60 -1.158 4.442 10.938 1.00 72.42 H new ATOM 0 HA ILE A 60 -3.384 6.065 11.043 1.00 33.22 H new ATOM 0 HB ILE A 60 -2.622 3.980 8.956 1.00 63.25 H new ATOM 0 HG12 ILE A 60 -2.126 6.926 8.676 1.00 35.23 H new ATOM 0 HG13 ILE A 60 -1.063 6.008 9.725 1.00 35.23 H new ATOM 0 HG21 ILE A 60 -3.947 5.349 7.396 1.00 51.40 H new ATOM 0 HG22 ILE A 60 -4.952 4.686 8.706 1.00 51.40 H new ATOM 0 HG23 ILE A 60 -4.452 6.393 8.746 1.00 51.40 H new ATOM 0 HD11 ILE A 60 -0.139 6.171 7.467 1.00 61.24 H new ATOM 0 HD12 ILE A 60 -0.524 4.479 7.864 1.00 61.24 H new ATOM 0 HD13 ILE A 60 -1.603 5.411 6.799 1.00 61.24 H new ATOM 965 N LEU A 61 -4.118 2.842 11.107 1.00 62.22 N ATOM 966 CA LEU A 61 -5.174 1.881 11.404 1.00 33.24 C ATOM 967 C LEU A 61 -5.812 2.174 12.759 1.00 44.22 C ATOM 968 O LEU A 61 -7.014 1.993 12.943 1.00 74.32 O ATOM 969 CB LEU A 61 -4.615 0.457 11.389 1.00 52.13 C ATOM 970 CG LEU A 61 -3.982 -0.001 10.074 1.00 11.14 C ATOM 971 CD1 LEU A 61 -3.074 -1.198 10.308 1.00 20.20 C ATOM 972 CD2 LEU A 61 -5.059 -0.337 9.053 1.00 65.04 C ATOM 0 H LEU A 61 -3.204 2.424 10.934 1.00 62.22 H new ATOM 0 HA LEU A 61 -5.940 1.972 10.634 1.00 33.24 H new ATOM 0 HB2 LEU A 61 -3.867 0.373 12.178 1.00 52.13 H new ATOM 0 HB3 LEU A 61 -5.422 -0.232 11.640 1.00 52.13 H new ATOM 0 HG LEU A 61 -3.378 0.816 9.679 1.00 11.14 H new ATOM 0 HD11 LEU A 61 -2.632 -1.510 9.362 1.00 20.20 H new ATOM 0 HD12 LEU A 61 -2.282 -0.923 11.005 1.00 20.20 H new ATOM 0 HD13 LEU A 61 -3.656 -2.020 10.726 1.00 20.20 H new ATOM 0 HD21 LEU A 61 -4.591 -0.661 8.124 1.00 65.04 H new ATOM 0 HD22 LEU A 61 -5.690 -1.137 9.440 1.00 65.04 H new ATOM 0 HD23 LEU A 61 -5.669 0.546 8.863 1.00 65.04 H new ATOM 984 N GLY A 62 -4.996 2.631 13.704 1.00 11.34 N ATOM 985 CA GLY A 62 -5.499 2.945 15.029 1.00 24.33 C ATOM 986 C GLY A 62 -6.541 4.045 15.009 1.00 42.22 C ATOM 987 O GLY A 62 -7.482 4.032 15.802 1.00 25.20 O ATOM 0 H GLY A 62 -3.997 2.789 13.576 1.00 11.34 H new ATOM 0 HA2 GLY A 62 -5.931 2.048 15.472 1.00 24.33 H new ATOM 0 HA3 GLY A 62 -4.669 3.247 15.667 1.00 24.33 H new ATOM 991 N GLN A 63 -6.372 5.001 14.101 1.00 72.24 N ATOM 992 CA GLN A 63 -7.305 6.115 13.983 1.00 74.05 C ATOM 993 C GLN A 63 -8.669 5.634 13.498 1.00 32.24 C ATOM 994 O GLN A 63 -9.706 6.143 13.925 1.00 14.12 O ATOM 995 CB GLN A 63 -6.754 7.170 13.023 1.00 45.44 C ATOM 996 CG GLN A 63 -6.095 8.347 13.725 1.00 22.41 C ATOM 997 CD GLN A 63 -6.923 9.614 13.643 1.00 31.33 C ATOM 998 OE1 GLN A 63 -6.464 10.638 13.136 1.00 31.51 O ATOM 999 NE2 GLN A 63 -8.152 9.551 14.143 1.00 3.42 N ATOM 0 H GLN A 63 -5.598 5.026 13.437 1.00 72.24 H new ATOM 0 HA GLN A 63 -7.426 6.560 14.971 1.00 74.05 H new ATOM 0 HB2 GLN A 63 -6.028 6.701 12.359 1.00 45.44 H new ATOM 0 HB3 GLN A 63 -7.566 7.539 12.397 1.00 45.44 H new ATOM 0 HG2 GLN A 63 -5.928 8.094 14.772 1.00 22.41 H new ATOM 0 HG3 GLN A 63 -5.116 8.528 13.281 1.00 22.41 H new ATOM 0 HE21 GLN A 63 -8.491 8.681 14.554 1.00 3.42 H new ATOM 0 HE22 GLN A 63 -8.756 10.372 14.116 1.00 3.42 H new ATOM 1008 N LEU A 64 -8.661 4.651 12.605 1.00 31.52 N ATOM 1009 CA LEU A 64 -9.898 4.100 12.062 1.00 11.02 C ATOM 1010 C LEU A 64 -10.420 2.965 12.938 1.00 64.04 C ATOM 1011 O LEU A 64 -11.583 2.577 12.839 1.00 53.23 O ATOM 1012 CB LEU A 64 -9.672 3.596 10.635 1.00 13.55 C ATOM 1013 CG LEU A 64 -8.826 4.495 9.733 1.00 64.51 C ATOM 1014 CD1 LEU A 64 -8.520 3.794 8.418 1.00 32.01 C ATOM 1015 CD2 LEU A 64 -9.533 5.818 9.482 1.00 13.14 C ATOM 0 H LEU A 64 -7.812 4.219 12.241 1.00 31.52 H new ATOM 0 HA LEU A 64 -10.644 4.894 12.046 1.00 11.02 H new ATOM 0 HB2 LEU A 64 -9.196 2.617 10.688 1.00 13.55 H new ATOM 0 HB3 LEU A 64 -10.644 3.453 10.163 1.00 13.55 H new ATOM 0 HG LEU A 64 -7.883 4.701 10.240 1.00 64.51 H new ATOM 0 HD11 LEU A 64 -7.917 4.448 7.788 1.00 32.01 H new ATOM 0 HD12 LEU A 64 -7.971 2.874 8.616 1.00 32.01 H new ATOM 0 HD13 LEU A 64 -9.453 3.557 7.906 1.00 32.01 H new ATOM 0 HD21 LEU A 64 -8.915 6.444 8.838 1.00 13.14 H new ATOM 0 HD22 LEU A 64 -10.491 5.632 8.997 1.00 13.14 H new ATOM 0 HD23 LEU A 64 -9.700 6.327 10.431 1.00 13.14 H new ATOM 1027 N GLN A 65 -9.551 2.439 13.795 1.00 62.20 N ATOM 1028 CA GLN A 65 -9.925 1.349 14.689 1.00 41.41 C ATOM 1029 C GLN A 65 -11.237 1.657 15.403 1.00 72.15 C ATOM 1030 O GLN A 65 -12.222 0.928 15.285 1.00 70.55 O ATOM 1031 CB GLN A 65 -8.818 1.101 15.716 1.00 54.15 C ATOM 1032 CG GLN A 65 -8.234 -0.301 15.653 1.00 1.20 C ATOM 1033 CD GLN A 65 -8.837 -1.231 16.687 1.00 22.11 C ATOM 1034 OE1 GLN A 65 -9.555 -2.172 16.349 1.00 73.13 O ATOM 1035 NE2 GLN A 65 -8.547 -0.973 17.957 1.00 42.31 N ATOM 0 H GLN A 65 -8.584 2.749 13.889 1.00 62.20 H new ATOM 0 HA GLN A 65 -10.062 0.450 14.088 1.00 41.41 H new ATOM 0 HB2 GLN A 65 -8.019 1.826 15.559 1.00 54.15 H new ATOM 0 HB3 GLN A 65 -9.215 1.276 16.716 1.00 54.15 H new ATOM 0 HG2 GLN A 65 -8.398 -0.715 14.658 1.00 1.20 H new ATOM 0 HG3 GLN A 65 -7.156 -0.248 15.802 1.00 1.20 H new ATOM 0 HE21 GLN A 65 -7.947 -0.182 18.193 1.00 42.31 H new ATOM 0 HE22 GLN A 65 -8.924 -1.566 18.697 1.00 42.31 H new ATOM 1044 N PRO A 66 -11.254 2.763 16.162 1.00 65.43 N ATOM 1045 CA PRO A 66 -12.439 3.192 16.909 1.00 10.04 C ATOM 1046 C PRO A 66 -13.554 3.686 15.994 1.00 32.31 C ATOM 1047 O PRO A 66 -14.651 4.006 16.453 1.00 44.11 O ATOM 1048 CB PRO A 66 -11.914 4.337 17.779 1.00 54.42 C ATOM 1049 CG PRO A 66 -10.733 4.863 17.040 1.00 45.32 C ATOM 1050 CD PRO A 66 -10.116 3.679 16.348 1.00 20.13 C ATOM 0 HA PRO A 66 -12.881 2.374 17.478 1.00 10.04 H new ATOM 0 HB2 PRO A 66 -12.671 5.109 17.916 1.00 54.42 H new ATOM 0 HB3 PRO A 66 -11.635 3.984 18.772 1.00 54.42 H new ATOM 0 HG2 PRO A 66 -11.031 5.624 16.319 1.00 45.32 H new ATOM 0 HG3 PRO A 66 -10.022 5.330 17.722 1.00 45.32 H new ATOM 0 HD2 PRO A 66 -9.666 3.959 15.396 1.00 20.13 H new ATOM 0 HD3 PRO A 66 -9.329 3.226 16.951 1.00 20.13 H new ATOM 1058 N SER A 67 -13.267 3.744 14.698 1.00 52.24 N ATOM 1059 CA SER A 67 -14.245 4.202 13.718 1.00 15.20 C ATOM 1060 C SER A 67 -14.807 3.028 12.922 1.00 53.54 C ATOM 1061 O SER A 67 -15.775 3.177 12.174 1.00 31.41 O ATOM 1062 CB SER A 67 -13.610 5.220 12.769 1.00 70.23 C ATOM 1063 OG SER A 67 -13.040 6.301 13.487 1.00 75.33 O ATOM 0 H SER A 67 -12.365 3.480 14.302 1.00 52.24 H new ATOM 0 HA SER A 67 -15.065 4.680 14.255 1.00 15.20 H new ATOM 0 HB2 SER A 67 -12.842 4.732 12.169 1.00 70.23 H new ATOM 0 HB3 SER A 67 -14.364 5.596 12.077 1.00 70.23 H new ATOM 0 HG SER A 67 -12.639 6.937 12.858 1.00 75.33 H new ATOM 1069 N LEU A 68 -14.193 1.862 13.087 1.00 55.02 N ATOM 1070 CA LEU A 68 -14.631 0.661 12.384 1.00 31.10 C ATOM 1071 C LEU A 68 -16.107 0.382 12.649 1.00 52.43 C ATOM 1072 O LEU A 68 -16.801 -0.189 11.808 1.00 42.43 O ATOM 1073 CB LEU A 68 -13.788 -0.541 12.814 1.00 34.12 C ATOM 1074 CG LEU A 68 -12.425 -0.682 12.136 1.00 20.05 C ATOM 1075 CD1 LEU A 68 -11.546 -1.657 12.904 1.00 62.44 C ATOM 1076 CD2 LEU A 68 -12.591 -1.133 10.693 1.00 52.14 C ATOM 0 H LEU A 68 -13.391 1.722 13.701 1.00 55.02 H new ATOM 0 HA LEU A 68 -14.498 0.827 11.315 1.00 31.10 H new ATOM 0 HB2 LEU A 68 -13.631 -0.483 13.891 1.00 34.12 H new ATOM 0 HB3 LEU A 68 -14.362 -1.448 12.624 1.00 34.12 H new ATOM 0 HG LEU A 68 -11.938 0.293 12.136 1.00 20.05 H new ATOM 0 HD11 LEU A 68 -10.580 -1.745 12.407 1.00 62.44 H new ATOM 0 HD12 LEU A 68 -11.399 -1.292 13.920 1.00 62.44 H new ATOM 0 HD13 LEU A 68 -12.028 -2.634 12.936 1.00 62.44 H new ATOM 0 HD21 LEU A 68 -11.611 -1.228 10.226 1.00 52.14 H new ATOM 0 HD22 LEU A 68 -13.099 -2.097 10.669 1.00 52.14 H new ATOM 0 HD23 LEU A 68 -13.183 -0.398 10.148 1.00 52.14 H new ATOM 1088 N GLN A 69 -16.580 0.791 13.821 1.00 12.55 N ATOM 1089 CA GLN A 69 -17.975 0.587 14.196 1.00 64.14 C ATOM 1090 C GLN A 69 -18.903 1.411 13.309 1.00 5.34 C ATOM 1091 O GLN A 69 -19.968 0.945 12.903 1.00 5.10 O ATOM 1092 CB GLN A 69 -18.190 0.957 15.664 1.00 53.30 C ATOM 1093 CG GLN A 69 -19.365 0.237 16.307 1.00 42.32 C ATOM 1094 CD GLN A 69 -19.193 0.061 17.803 1.00 72.34 C ATOM 1095 OE1 GLN A 69 -18.102 0.250 18.341 1.00 62.14 O ATOM 1096 NE2 GLN A 69 -20.273 -0.304 18.484 1.00 52.32 N ATOM 0 H GLN A 69 -16.018 1.266 14.528 1.00 12.55 H new ATOM 0 HA GLN A 69 -18.212 -0.468 14.057 1.00 64.14 H new ATOM 0 HB2 GLN A 69 -17.284 0.728 16.224 1.00 53.30 H new ATOM 0 HB3 GLN A 69 -18.348 2.033 15.740 1.00 53.30 H new ATOM 0 HG2 GLN A 69 -20.280 0.797 16.114 1.00 42.32 H new ATOM 0 HG3 GLN A 69 -19.486 -0.741 15.841 1.00 42.32 H new ATOM 0 HE21 GLN A 69 -21.158 -0.450 17.997 1.00 52.32 H new ATOM 0 HE22 GLN A 69 -20.218 -0.438 19.494 1.00 52.32 H new ATOM 1105 N THR A 70 -18.492 2.641 13.013 1.00 60.52 N ATOM 1106 CA THR A 70 -19.287 3.531 12.176 1.00 23.22 C ATOM 1107 C THR A 70 -18.449 4.114 11.044 1.00 54.22 C ATOM 1108 O THR A 70 -18.419 5.328 10.843 1.00 73.55 O ATOM 1109 CB THR A 70 -19.891 4.684 12.999 1.00 34.11 C ATOM 1110 OG1 THR A 70 -18.852 5.551 13.465 1.00 4.02 O ATOM 1111 CG2 THR A 70 -20.680 4.147 14.184 1.00 55.51 C ATOM 0 H THR A 70 -17.614 3.043 13.341 1.00 60.52 H new ATOM 0 HA THR A 70 -20.095 2.933 11.755 1.00 23.22 H new ATOM 0 HB THR A 70 -20.569 5.244 12.355 1.00 34.11 H new ATOM 0 HG1 THR A 70 -18.382 5.940 12.698 1.00 4.02 H new ATOM 0 HG21 THR A 70 -21.097 4.979 14.751 1.00 55.51 H new ATOM 0 HG22 THR A 70 -21.489 3.511 13.824 1.00 55.51 H new ATOM 0 HG23 THR A 70 -20.020 3.565 14.827 1.00 55.51 H new ATOM 1119 N GLY A 71 -17.770 3.241 10.306 1.00 52.55 N ATOM 1120 CA GLY A 71 -16.942 3.690 9.202 1.00 62.25 C ATOM 1121 C GLY A 71 -17.538 3.344 7.852 1.00 70.15 C ATOM 1122 O GLY A 71 -17.945 2.206 7.618 1.00 25.32 O ATOM 0 H GLY A 71 -17.779 2.232 10.453 1.00 52.55 H new ATOM 0 HA2 GLY A 71 -16.806 4.769 9.270 1.00 62.25 H new ATOM 0 HA3 GLY A 71 -15.954 3.238 9.286 1.00 62.25 H new ATOM 1126 N SER A 72 -17.592 4.329 6.960 1.00 32.43 N ATOM 1127 CA SER A 72 -18.148 4.124 5.628 1.00 15.00 C ATOM 1128 C SER A 72 -17.264 3.190 4.808 1.00 41.25 C ATOM 1129 O SER A 72 -16.212 2.749 5.270 1.00 14.40 O ATOM 1130 CB SER A 72 -18.303 5.464 4.906 1.00 72.23 C ATOM 1131 OG SER A 72 -17.124 6.242 5.017 1.00 53.23 O ATOM 0 H SER A 72 -17.257 5.276 7.136 1.00 32.43 H new ATOM 0 HA SER A 72 -19.129 3.663 5.737 1.00 15.00 H new ATOM 0 HB2 SER A 72 -18.530 5.290 3.854 1.00 72.23 H new ATOM 0 HB3 SER A 72 -19.145 6.012 5.327 1.00 72.23 H new ATOM 0 HG SER A 72 -17.248 7.092 4.546 1.00 53.23 H new ATOM 1137 N GLU A 73 -17.699 2.894 3.587 1.00 73.40 N ATOM 1138 CA GLU A 73 -16.948 2.011 2.702 1.00 43.40 C ATOM 1139 C GLU A 73 -15.529 2.533 2.490 1.00 33.03 C ATOM 1140 O GLU A 73 -14.616 1.768 2.182 1.00 1.22 O ATOM 1141 CB GLU A 73 -17.660 1.877 1.354 1.00 2.03 C ATOM 1142 CG GLU A 73 -18.994 1.155 1.440 1.00 11.13 C ATOM 1143 CD GLU A 73 -19.562 0.814 0.076 1.00 2.02 C ATOM 1144 OE1 GLU A 73 -19.747 1.743 -0.738 1.00 11.13 O ATOM 1145 OE2 GLU A 73 -19.821 -0.381 -0.177 1.00 41.24 O ATOM 0 H GLU A 73 -18.567 3.252 3.188 1.00 73.40 H new ATOM 0 HA GLU A 73 -16.890 1.030 3.173 1.00 43.40 H new ATOM 0 HB2 GLU A 73 -17.821 2.871 0.937 1.00 2.03 H new ATOM 0 HB3 GLU A 73 -17.011 1.342 0.661 1.00 2.03 H new ATOM 0 HG2 GLU A 73 -18.870 0.239 2.017 1.00 11.13 H new ATOM 0 HG3 GLU A 73 -19.706 1.779 1.980 1.00 11.13 H new ATOM 1152 N GLU A 74 -15.355 3.840 2.658 1.00 44.24 N ATOM 1153 CA GLU A 74 -14.048 4.464 2.483 1.00 11.04 C ATOM 1154 C GLU A 74 -13.110 4.092 3.628 1.00 35.14 C ATOM 1155 O GLU A 74 -12.018 3.568 3.406 1.00 0.12 O ATOM 1156 CB GLU A 74 -14.192 5.985 2.401 1.00 45.20 C ATOM 1157 CG GLU A 74 -13.643 6.579 1.115 1.00 51.44 C ATOM 1158 CD GLU A 74 -14.438 7.781 0.642 1.00 70.14 C ATOM 1159 OE1 GLU A 74 -14.458 8.800 1.364 1.00 63.15 O ATOM 1160 OE2 GLU A 74 -15.040 7.703 -0.449 1.00 73.53 O ATOM 0 H GLU A 74 -16.101 4.487 2.915 1.00 44.24 H new ATOM 0 HA GLU A 74 -13.619 4.096 1.551 1.00 11.04 H new ATOM 0 HB2 GLU A 74 -15.246 6.247 2.492 1.00 45.20 H new ATOM 0 HB3 GLU A 74 -13.677 6.437 3.249 1.00 45.20 H new ATOM 0 HG2 GLU A 74 -12.605 6.873 1.269 1.00 51.44 H new ATOM 0 HG3 GLU A 74 -13.647 5.816 0.336 1.00 51.44 H new ATOM 1167 N LEU A 75 -13.545 4.366 4.853 1.00 5.55 N ATOM 1168 CA LEU A 75 -12.745 4.062 6.035 1.00 62.52 C ATOM 1169 C LEU A 75 -12.388 2.579 6.083 1.00 11.32 C ATOM 1170 O LEU A 75 -11.239 2.215 6.335 1.00 54.11 O ATOM 1171 CB LEU A 75 -13.502 4.457 7.304 1.00 51.23 C ATOM 1172 CG LEU A 75 -12.730 4.321 8.616 1.00 4.33 C ATOM 1173 CD1 LEU A 75 -13.071 5.466 9.557 1.00 3.24 C ATOM 1174 CD2 LEU A 75 -13.027 2.981 9.274 1.00 42.43 C ATOM 0 H LEU A 75 -14.447 4.798 5.054 1.00 5.55 H new ATOM 0 HA LEU A 75 -11.822 4.638 5.977 1.00 62.52 H new ATOM 0 HB2 LEU A 75 -13.826 5.493 7.202 1.00 51.23 H new ATOM 0 HB3 LEU A 75 -14.402 3.846 7.371 1.00 51.23 H new ATOM 0 HG LEU A 75 -11.664 4.365 8.394 1.00 4.33 H new ATOM 0 HD11 LEU A 75 -12.512 5.352 10.486 1.00 3.24 H new ATOM 0 HD12 LEU A 75 -12.806 6.414 9.088 1.00 3.24 H new ATOM 0 HD13 LEU A 75 -14.139 5.454 9.773 1.00 3.24 H new ATOM 0 HD21 LEU A 75 -12.469 2.902 10.207 1.00 42.43 H new ATOM 0 HD22 LEU A 75 -14.094 2.907 9.483 1.00 42.43 H new ATOM 0 HD23 LEU A 75 -12.731 2.173 8.604 1.00 42.43 H new ATOM 1186 N ARG A 76 -13.380 1.729 5.838 1.00 3.04 N ATOM 1187 CA ARG A 76 -13.170 0.286 5.853 1.00 53.30 C ATOM 1188 C ARG A 76 -12.055 -0.111 4.890 1.00 1.14 C ATOM 1189 O ARG A 76 -11.195 -0.926 5.224 1.00 42.04 O ATOM 1190 CB ARG A 76 -14.463 -0.442 5.481 1.00 51.01 C ATOM 1191 CG ARG A 76 -15.026 -1.297 6.605 1.00 65.04 C ATOM 1192 CD ARG A 76 -14.440 -2.700 6.583 1.00 20.34 C ATOM 1193 NE ARG A 76 -15.477 -3.727 6.649 1.00 4.01 N ATOM 1194 CZ ARG A 76 -16.196 -3.977 7.738 1.00 44.33 C ATOM 1195 NH1 ARG A 76 -15.992 -3.277 8.846 1.00 61.44 N ATOM 1196 NH2 ARG A 76 -17.121 -4.927 7.719 1.00 31.44 N ATOM 0 H ARG A 76 -14.336 2.014 5.627 1.00 3.04 H new ATOM 0 HA ARG A 76 -12.875 -0.003 6.862 1.00 53.30 H new ATOM 0 HB2 ARG A 76 -15.212 0.293 5.185 1.00 51.01 H new ATOM 0 HB3 ARG A 76 -14.277 -1.075 4.613 1.00 51.01 H new ATOM 0 HG2 ARG A 76 -14.811 -0.827 7.564 1.00 65.04 H new ATOM 0 HG3 ARG A 76 -16.111 -1.353 6.513 1.00 65.04 H new ATOM 0 HD2 ARG A 76 -13.854 -2.834 5.674 1.00 20.34 H new ATOM 0 HD3 ARG A 76 -13.756 -2.821 7.423 1.00 20.34 H new ATOM 0 HE ARG A 76 -15.659 -4.283 5.813 1.00 4.01 H new ATOM 0 HH11 ARG A 76 -15.282 -2.545 8.863 1.00 61.44 H new ATOM 0 HH12 ARG A 76 -16.545 -3.471 9.681 1.00 61.44 H new ATOM 0 HH21 ARG A 76 -17.281 -5.466 6.868 1.00 31.44 H new ATOM 0 HH22 ARG A 76 -17.673 -5.118 8.555 1.00 31.44 H new ATOM 1210 N SER A 77 -12.077 0.470 3.695 1.00 2.43 N ATOM 1211 CA SER A 77 -11.070 0.174 2.683 1.00 53.14 C ATOM 1212 C SER A 77 -9.670 0.491 3.199 1.00 31.22 C ATOM 1213 O SER A 77 -8.774 -0.354 3.157 1.00 13.42 O ATOM 1214 CB SER A 77 -11.348 0.973 1.408 1.00 75.44 C ATOM 1215 OG SER A 77 -12.294 0.309 0.586 1.00 1.35 O ATOM 0 H SER A 77 -12.781 1.148 3.404 1.00 2.43 H new ATOM 0 HA SER A 77 -11.122 -0.891 2.456 1.00 53.14 H new ATOM 0 HB2 SER A 77 -11.721 1.963 1.670 1.00 75.44 H new ATOM 0 HB3 SER A 77 -10.419 1.117 0.856 1.00 75.44 H new ATOM 0 HG SER A 77 -13.200 0.571 0.852 1.00 1.35 H new ATOM 1221 N LEU A 78 -9.489 1.713 3.686 1.00 1.25 N ATOM 1222 CA LEU A 78 -8.198 2.144 4.212 1.00 21.32 C ATOM 1223 C LEU A 78 -7.659 1.137 5.223 1.00 24.02 C ATOM 1224 O LEU A 78 -6.529 0.663 5.101 1.00 44.51 O ATOM 1225 CB LEU A 78 -8.325 3.521 4.865 1.00 44.31 C ATOM 1226 CG LEU A 78 -7.750 4.695 4.072 1.00 45.33 C ATOM 1227 CD1 LEU A 78 -6.307 4.418 3.677 1.00 33.43 C ATOM 1228 CD2 LEU A 78 -8.598 4.972 2.839 1.00 44.50 C ATOM 0 H LEU A 78 -10.220 2.423 3.728 1.00 1.25 H new ATOM 0 HA LEU A 78 -7.497 2.207 3.380 1.00 21.32 H new ATOM 0 HB2 LEU A 78 -9.381 3.717 5.051 1.00 44.31 H new ATOM 0 HB3 LEU A 78 -7.831 3.488 5.836 1.00 44.31 H new ATOM 0 HG LEU A 78 -7.767 5.580 4.707 1.00 45.33 H new ATOM 0 HD11 LEU A 78 -5.915 5.265 3.113 1.00 33.43 H new ATOM 0 HD12 LEU A 78 -5.706 4.270 4.574 1.00 33.43 H new ATOM 0 HD13 LEU A 78 -6.265 3.521 3.060 1.00 33.43 H new ATOM 0 HD21 LEU A 78 -8.174 5.811 2.287 1.00 44.50 H new ATOM 0 HD22 LEU A 78 -8.613 4.088 2.202 1.00 44.50 H new ATOM 0 HD23 LEU A 78 -9.615 5.216 3.144 1.00 44.50 H new ATOM 1240 N TYR A 79 -8.474 0.813 6.220 1.00 34.21 N ATOM 1241 CA TYR A 79 -8.079 -0.138 7.253 1.00 54.23 C ATOM 1242 C TYR A 79 -7.506 -1.409 6.633 1.00 55.32 C ATOM 1243 O TYR A 79 -6.450 -1.889 7.040 1.00 63.21 O ATOM 1244 CB TYR A 79 -9.276 -0.485 8.141 1.00 44.43 C ATOM 1245 CG TYR A 79 -8.889 -1.135 9.450 1.00 74.22 C ATOM 1246 CD1 TYR A 79 -8.231 -0.414 10.439 1.00 74.12 C ATOM 1247 CD2 TYR A 79 -9.181 -2.471 9.698 1.00 54.34 C ATOM 1248 CE1 TYR A 79 -7.876 -1.004 11.636 1.00 21.32 C ATOM 1249 CE2 TYR A 79 -8.831 -3.069 10.893 1.00 51.45 C ATOM 1250 CZ TYR A 79 -8.178 -2.332 11.859 1.00 54.55 C ATOM 1251 OH TYR A 79 -7.826 -2.924 13.050 1.00 54.04 O ATOM 0 H TYR A 79 -9.413 1.195 6.335 1.00 34.21 H new ATOM 0 HA TYR A 79 -7.305 0.328 7.863 1.00 54.23 H new ATOM 0 HB2 TYR A 79 -9.839 0.425 8.349 1.00 44.43 H new ATOM 0 HB3 TYR A 79 -9.941 -1.154 7.595 1.00 44.43 H new ATOM 0 HD1 TYR A 79 -7.993 0.626 10.269 1.00 74.12 H new ATOM 0 HD2 TYR A 79 -9.690 -3.052 8.943 1.00 54.34 H new ATOM 0 HE1 TYR A 79 -7.365 -0.429 12.394 1.00 21.32 H new ATOM 0 HE2 TYR A 79 -9.067 -4.108 11.070 1.00 51.45 H new ATOM 0 HH TYR A 79 -8.112 -3.861 13.047 1.00 54.04 H new ATOM 1261 N ASN A 80 -8.213 -1.947 5.644 1.00 21.43 N ATOM 1262 CA ASN A 80 -7.776 -3.163 4.967 1.00 41.34 C ATOM 1263 C ASN A 80 -6.577 -2.882 4.066 1.00 22.10 C ATOM 1264 O ASN A 80 -5.823 -3.791 3.715 1.00 51.41 O ATOM 1265 CB ASN A 80 -8.922 -3.751 4.141 1.00 64.12 C ATOM 1266 CG ASN A 80 -9.735 -4.765 4.921 1.00 33.42 C ATOM 1267 OD1 ASN A 80 -9.693 -4.797 6.151 1.00 34.31 O ATOM 1268 ND2 ASN A 80 -10.481 -5.601 4.207 1.00 11.33 N ATOM 0 H ASN A 80 -9.090 -1.561 5.294 1.00 21.43 H new ATOM 0 HA ASN A 80 -7.476 -3.885 5.726 1.00 41.34 H new ATOM 0 HB2 ASN A 80 -9.576 -2.945 3.806 1.00 64.12 H new ATOM 0 HB3 ASN A 80 -8.516 -4.225 3.247 1.00 64.12 H new ATOM 0 HD21 ASN A 80 -11.050 -6.306 4.677 1.00 11.33 H new ATOM 0 HD22 ASN A 80 -10.485 -5.538 3.189 1.00 11.33 H new ATOM 1275 N THR A 81 -6.405 -1.617 3.695 1.00 12.01 N ATOM 1276 CA THR A 81 -5.299 -1.216 2.835 1.00 1.14 C ATOM 1277 C THR A 81 -4.002 -1.096 3.628 1.00 52.11 C ATOM 1278 O THR A 81 -3.062 -1.863 3.418 1.00 35.41 O ATOM 1279 CB THR A 81 -5.587 0.127 2.138 1.00 14.14 C ATOM 1280 OG1 THR A 81 -6.859 0.075 1.482 1.00 12.34 O ATOM 1281 CG2 THR A 81 -4.501 0.455 1.125 1.00 53.11 C ATOM 0 H THR A 81 -7.018 -0.852 3.977 1.00 12.01 H new ATOM 0 HA THR A 81 -5.189 -1.993 2.078 1.00 1.14 H new ATOM 0 HB THR A 81 -5.602 0.909 2.897 1.00 14.14 H new ATOM 0 HG1 THR A 81 -7.574 0.102 2.152 1.00 12.34 H new ATOM 0 HG21 THR A 81 -4.726 1.408 0.646 1.00 53.11 H new ATOM 0 HG22 THR A 81 -3.539 0.523 1.632 1.00 53.11 H new ATOM 0 HG23 THR A 81 -4.459 -0.330 0.370 1.00 53.11 H new ATOM 1289 N ILE A 82 -3.958 -0.130 4.539 1.00 54.52 N ATOM 1290 CA ILE A 82 -2.777 0.089 5.364 1.00 63.21 C ATOM 1291 C ILE A 82 -2.321 -1.208 6.025 1.00 43.52 C ATOM 1292 O ILE A 82 -1.130 -1.410 6.262 1.00 52.12 O ATOM 1293 CB ILE A 82 -3.039 1.144 6.455 1.00 70.40 C ATOM 1294 CG1 ILE A 82 -3.432 2.479 5.820 1.00 1.10 C ATOM 1295 CG2 ILE A 82 -1.810 1.311 7.336 1.00 31.12 C ATOM 1296 CD1 ILE A 82 -4.722 3.051 6.365 1.00 2.11 C ATOM 0 H ILE A 82 -4.727 0.514 4.724 1.00 54.52 H new ATOM 0 HA ILE A 82 -1.992 0.452 4.701 1.00 63.21 H new ATOM 0 HB ILE A 82 -3.865 0.803 7.079 1.00 70.40 H new ATOM 0 HG12 ILE A 82 -2.629 3.198 5.980 1.00 1.10 H new ATOM 0 HG13 ILE A 82 -3.530 2.345 4.743 1.00 1.10 H new ATOM 0 HG21 ILE A 82 -2.011 2.060 8.102 1.00 31.12 H new ATOM 0 HG22 ILE A 82 -1.571 0.360 7.812 1.00 31.12 H new ATOM 0 HG23 ILE A 82 -0.966 1.633 6.726 1.00 31.12 H new ATOM 0 HD11 ILE A 82 -4.938 3.997 5.869 1.00 2.11 H new ATOM 0 HD12 ILE A 82 -5.537 2.351 6.181 1.00 2.11 H new ATOM 0 HD13 ILE A 82 -4.622 3.218 7.438 1.00 2.11 H new ATOM 1308 N ALA A 83 -3.276 -2.083 6.319 1.00 60.54 N ATOM 1309 CA ALA A 83 -2.972 -3.362 6.949 1.00 74.44 C ATOM 1310 C ALA A 83 -2.112 -4.232 6.038 1.00 31.32 C ATOM 1311 O ALA A 83 -1.305 -5.034 6.510 1.00 51.53 O ATOM 1312 CB ALA A 83 -4.258 -4.089 7.315 1.00 51.30 C ATOM 0 H ALA A 83 -4.267 -1.930 6.131 1.00 60.54 H new ATOM 0 HA ALA A 83 -2.407 -3.165 7.860 1.00 74.44 H new ATOM 0 HB1 ALA A 83 -4.016 -5.042 7.785 1.00 51.30 H new ATOM 0 HB2 ALA A 83 -4.836 -3.479 8.009 1.00 51.30 H new ATOM 0 HB3 ALA A 83 -4.844 -4.267 6.414 1.00 51.30 H new ATOM 1318 N VAL A 84 -2.290 -4.070 4.731 1.00 53.10 N ATOM 1319 CA VAL A 84 -1.530 -4.840 3.754 1.00 20.32 C ATOM 1320 C VAL A 84 -0.156 -4.223 3.517 1.00 72.43 C ATOM 1321 O VAL A 84 0.811 -4.928 3.226 1.00 24.23 O ATOM 1322 CB VAL A 84 -2.277 -4.936 2.411 1.00 62.14 C ATOM 1323 CG1 VAL A 84 -1.447 -5.702 1.392 1.00 42.25 C ATOM 1324 CG2 VAL A 84 -3.637 -5.590 2.603 1.00 64.42 C ATOM 0 H VAL A 84 -2.955 -3.412 4.324 1.00 53.10 H new ATOM 0 HA VAL A 84 -1.409 -5.842 4.165 1.00 20.32 H new ATOM 0 HB VAL A 84 -2.435 -3.927 2.030 1.00 62.14 H new ATOM 0 HG11 VAL A 84 -1.991 -5.760 0.449 1.00 42.25 H new ATOM 0 HG12 VAL A 84 -0.500 -5.187 1.233 1.00 42.25 H new ATOM 0 HG13 VAL A 84 -1.255 -6.709 1.762 1.00 42.25 H new ATOM 0 HG21 VAL A 84 -4.151 -5.650 1.644 1.00 64.42 H new ATOM 0 HG22 VAL A 84 -3.504 -6.594 3.006 1.00 64.42 H new ATOM 0 HG23 VAL A 84 -4.232 -4.996 3.297 1.00 64.42 H new ATOM 1334 N LEU A 85 -0.077 -2.903 3.642 1.00 30.35 N ATOM 1335 CA LEU A 85 1.179 -2.190 3.442 1.00 5.31 C ATOM 1336 C LEU A 85 2.081 -2.321 4.665 1.00 1.34 C ATOM 1337 O LEU A 85 3.292 -2.506 4.540 1.00 50.41 O ATOM 1338 CB LEU A 85 0.909 -0.713 3.150 1.00 50.24 C ATOM 1339 CG LEU A 85 2.139 0.193 3.074 1.00 72.44 C ATOM 1340 CD1 LEU A 85 3.158 -0.372 2.096 1.00 73.11 C ATOM 1341 CD2 LEU A 85 1.738 1.605 2.672 1.00 34.43 C ATOM 0 H LEU A 85 -0.868 -2.305 3.881 1.00 30.35 H new ATOM 0 HA LEU A 85 1.689 -2.636 2.588 1.00 5.31 H new ATOM 0 HB2 LEU A 85 0.372 -0.643 2.204 1.00 50.24 H new ATOM 0 HB3 LEU A 85 0.245 -0.326 3.923 1.00 50.24 H new ATOM 0 HG LEU A 85 2.597 0.234 4.062 1.00 72.44 H new ATOM 0 HD11 LEU A 85 4.026 0.286 2.055 1.00 73.11 H new ATOM 0 HD12 LEU A 85 3.469 -1.363 2.426 1.00 73.11 H new ATOM 0 HD13 LEU A 85 2.710 -0.444 1.105 1.00 73.11 H new ATOM 0 HD21 LEU A 85 2.626 2.235 2.623 1.00 34.43 H new ATOM 0 HD22 LEU A 85 1.255 1.582 1.695 1.00 34.43 H new ATOM 0 HD23 LEU A 85 1.045 2.010 3.410 1.00 34.43 H new ATOM 1353 N TYR A 86 1.483 -2.226 5.848 1.00 51.14 N ATOM 1354 CA TYR A 86 2.232 -2.334 7.094 1.00 13.40 C ATOM 1355 C TYR A 86 3.104 -3.585 7.099 1.00 31.32 C ATOM 1356 O TYR A 86 4.243 -3.560 7.566 1.00 2.32 O ATOM 1357 CB TYR A 86 1.275 -2.360 8.287 1.00 3.14 C ATOM 1358 CG TYR A 86 1.939 -2.757 9.587 1.00 50.13 C ATOM 1359 CD1 TYR A 86 2.680 -1.839 10.320 1.00 12.33 C ATOM 1360 CD2 TYR A 86 1.824 -4.050 10.081 1.00 22.41 C ATOM 1361 CE1 TYR A 86 3.288 -2.197 11.507 1.00 25.44 C ATOM 1362 CE2 TYR A 86 2.428 -4.418 11.268 1.00 2.30 C ATOM 1363 CZ TYR A 86 3.160 -3.488 11.977 1.00 14.12 C ATOM 1364 OH TYR A 86 3.763 -3.849 13.160 1.00 42.30 O ATOM 0 H TYR A 86 0.482 -2.074 5.970 1.00 51.14 H new ATOM 0 HA TYR A 86 2.881 -1.462 7.176 1.00 13.40 H new ATOM 0 HB2 TYR A 86 0.827 -1.373 8.404 1.00 3.14 H new ATOM 0 HB3 TYR A 86 0.463 -3.056 8.076 1.00 3.14 H new ATOM 0 HD1 TYR A 86 2.782 -0.828 9.955 1.00 12.33 H new ATOM 0 HD2 TYR A 86 1.253 -4.781 9.528 1.00 22.41 H new ATOM 0 HE1 TYR A 86 3.861 -1.471 12.064 1.00 25.44 H new ATOM 0 HE2 TYR A 86 2.328 -5.427 11.639 1.00 2.30 H new ATOM 0 HH TYR A 86 3.574 -4.792 13.349 1.00 42.30 H new ATOM 1374 N CYS A 87 2.561 -4.679 6.576 1.00 14.21 N ATOM 1375 CA CYS A 87 3.288 -5.942 6.520 1.00 52.14 C ATOM 1376 C CYS A 87 4.419 -5.873 5.499 1.00 41.10 C ATOM 1377 O CYS A 87 5.432 -6.560 5.632 1.00 51.04 O ATOM 1378 CB CYS A 87 2.337 -7.087 6.168 1.00 14.30 C ATOM 1379 SG CYS A 87 1.499 -7.815 7.595 1.00 21.43 S ATOM 0 H CYS A 87 1.620 -4.717 6.185 1.00 14.21 H new ATOM 0 HA CYS A 87 3.720 -6.128 7.503 1.00 52.14 H new ATOM 0 HB2 CYS A 87 1.587 -6.720 5.468 1.00 14.30 H new ATOM 0 HB3 CYS A 87 2.899 -7.867 5.653 1.00 14.30 H new ATOM 0 HG CYS A 87 0.263 -8.073 7.287 1.00 21.43 H new ATOM 1385 N VAL A 88 4.239 -5.040 4.479 1.00 51.30 N ATOM 1386 CA VAL A 88 5.244 -4.881 3.435 1.00 51.03 C ATOM 1387 C VAL A 88 6.504 -4.219 3.981 1.00 52.33 C ATOM 1388 O VAL A 88 7.611 -4.486 3.514 1.00 64.54 O ATOM 1389 CB VAL A 88 4.705 -4.044 2.260 1.00 40.43 C ATOM 1390 CG1 VAL A 88 5.779 -3.859 1.198 1.00 31.43 C ATOM 1391 CG2 VAL A 88 3.464 -4.694 1.667 1.00 22.42 C ATOM 0 H VAL A 88 3.406 -4.465 4.354 1.00 51.30 H new ATOM 0 HA VAL A 88 5.489 -5.881 3.077 1.00 51.03 H new ATOM 0 HB VAL A 88 4.427 -3.060 2.636 1.00 40.43 H new ATOM 0 HG11 VAL A 88 5.379 -3.265 0.376 1.00 31.43 H new ATOM 0 HG12 VAL A 88 6.636 -3.346 1.633 1.00 31.43 H new ATOM 0 HG13 VAL A 88 6.092 -4.834 0.823 1.00 31.43 H new ATOM 0 HG21 VAL A 88 3.097 -4.089 0.838 1.00 22.42 H new ATOM 0 HG22 VAL A 88 3.713 -5.692 1.305 1.00 22.42 H new ATOM 0 HG23 VAL A 88 2.691 -4.768 2.432 1.00 22.42 H new ATOM 1401 N HIS A 89 6.328 -3.352 4.974 1.00 73.45 N ATOM 1402 CA HIS A 89 7.451 -2.651 5.586 1.00 63.13 C ATOM 1403 C HIS A 89 7.977 -3.420 6.794 1.00 21.42 C ATOM 1404 O HIS A 89 9.151 -3.235 7.114 1.00 12.13 O ATOM 1405 CB HIS A 89 7.032 -1.242 6.007 1.00 65.11 C ATOM 1406 CG HIS A 89 6.588 -0.383 4.863 1.00 0.33 C ATOM 1407 ND1 HIS A 89 7.257 -0.328 3.659 1.00 52.51 N ATOM 1408 CD2 HIS A 89 5.534 0.458 4.745 1.00 2.41 C ATOM 1409 CE1 HIS A 89 6.634 0.511 2.850 1.00 31.20 C ATOM 1410 NE2 HIS A 89 5.584 1.001 3.485 1.00 25.23 N ATOM 0 H HIS A 89 5.418 -3.118 5.372 1.00 73.45 H new ATOM 0 HA HIS A 89 8.249 -2.579 4.847 1.00 63.13 H new ATOM 0 HB2 HIS A 89 6.222 -1.314 6.732 1.00 65.11 H new ATOM 0 HB3 HIS A 89 7.869 -0.758 6.511 1.00 65.11 H new ATOM 0 HD2 HIS A 89 4.791 0.664 5.502 1.00 2.41 H new ATOM 0 HE1 HIS A 89 6.932 0.755 1.841 1.00 31.20 H new ATOM 0 HE2 HIS A 89 4.919 1.673 3.102 1.00 25.23 H new ATOM 1419 N GLN A 90 7.170 -4.248 7.449 1.00 35.31 N ATOM 1420 CA GLN A 90 7.628 -5.003 8.609 1.00 31.23 C ATOM 1421 C GLN A 90 8.231 -6.339 8.186 1.00 10.43 C ATOM 1422 O GLN A 90 8.559 -7.177 9.027 1.00 53.35 O ATOM 1423 CB GLN A 90 6.470 -5.238 9.581 1.00 3.03 C ATOM 1424 CG GLN A 90 6.472 -4.290 10.770 1.00 63.50 C ATOM 1425 CD GLN A 90 7.721 -4.422 11.619 1.00 30.44 C ATOM 1426 OE1 GLN A 90 8.133 -5.528 11.971 1.00 72.44 O ATOM 1427 NE2 GLN A 90 8.332 -3.292 11.954 1.00 14.24 N ATOM 0 H GLN A 90 6.196 -4.413 7.196 1.00 35.31 H new ATOM 0 HA GLN A 90 8.400 -4.419 9.109 1.00 31.23 H new ATOM 0 HB2 GLN A 90 5.528 -5.131 9.043 1.00 3.03 H new ATOM 0 HB3 GLN A 90 6.515 -6.264 9.945 1.00 3.03 H new ATOM 0 HG2 GLN A 90 6.387 -3.264 10.412 1.00 63.50 H new ATOM 0 HG3 GLN A 90 5.595 -4.486 11.387 1.00 63.50 H new ATOM 0 HE21 GLN A 90 7.956 -2.397 11.641 1.00 14.24 H new ATOM 0 HE22 GLN A 90 9.177 -3.319 12.525 1.00 14.24 H new ATOM 1436 N ARG A 91 8.374 -6.530 6.879 1.00 42.00 N ATOM 1437 CA ARG A 91 8.936 -7.764 6.345 1.00 65.44 C ATOM 1438 C ARG A 91 8.038 -8.955 6.666 1.00 53.01 C ATOM 1439 O ARG A 91 8.496 -9.963 7.204 1.00 72.51 O ATOM 1440 CB ARG A 91 10.337 -8.000 6.914 1.00 73.51 C ATOM 1441 CG ARG A 91 11.264 -8.739 5.963 1.00 43.12 C ATOM 1442 CD ARG A 91 12.331 -7.815 5.396 1.00 60.31 C ATOM 1443 NE ARG A 91 13.640 -8.056 5.998 1.00 15.33 N ATOM 1444 CZ ARG A 91 14.391 -9.116 5.724 1.00 44.23 C ATOM 1445 NH1 ARG A 91 13.967 -10.028 4.861 1.00 73.34 N ATOM 1446 NH2 ARG A 91 15.571 -9.264 6.313 1.00 62.54 N ATOM 0 H ARG A 91 8.108 -5.846 6.170 1.00 42.00 H new ATOM 0 HA ARG A 91 9.003 -7.663 5.262 1.00 65.44 H new ATOM 0 HB2 ARG A 91 10.783 -7.039 7.169 1.00 73.51 H new ATOM 0 HB3 ARG A 91 10.253 -8.568 7.840 1.00 73.51 H new ATOM 0 HG2 ARG A 91 11.740 -9.568 6.487 1.00 43.12 H new ATOM 0 HG3 ARG A 91 10.683 -9.169 5.147 1.00 43.12 H new ATOM 0 HD2 ARG A 91 12.397 -7.956 4.317 1.00 60.31 H new ATOM 0 HD3 ARG A 91 12.040 -6.778 5.565 1.00 60.31 H new ATOM 0 HE ARG A 91 13.997 -7.372 6.666 1.00 15.33 H new ATOM 0 HH11 ARG A 91 13.061 -9.917 4.405 1.00 73.34 H new ATOM 0 HH12 ARG A 91 14.546 -10.841 4.653 1.00 73.34 H new ATOM 0 HH21 ARG A 91 15.901 -8.563 6.977 1.00 62.54 H new ATOM 0 HH22 ARG A 91 16.148 -10.079 6.102 1.00 62.54 H new ATOM 1460 N ILE A 92 6.757 -8.830 6.333 1.00 5.11 N ATOM 1461 CA ILE A 92 5.795 -9.895 6.586 1.00 65.42 C ATOM 1462 C ILE A 92 5.077 -10.303 5.304 1.00 64.12 C ATOM 1463 O ILE A 92 4.598 -9.454 4.552 1.00 72.41 O ATOM 1464 CB ILE A 92 4.750 -9.473 7.634 1.00 13.34 C ATOM 1465 CG1 ILE A 92 5.442 -8.967 8.902 1.00 72.50 C ATOM 1466 CG2 ILE A 92 3.824 -10.636 7.958 1.00 53.24 C ATOM 1467 CD1 ILE A 92 4.478 -8.519 9.978 1.00 5.15 C ATOM 0 H ILE A 92 6.362 -8.002 5.888 1.00 5.11 H new ATOM 0 HA ILE A 92 6.359 -10.745 6.970 1.00 65.42 H new ATOM 0 HB ILE A 92 4.151 -8.661 7.221 1.00 13.34 H new ATOM 0 HG12 ILE A 92 6.077 -9.759 9.301 1.00 72.50 H new ATOM 0 HG13 ILE A 92 6.096 -8.135 8.642 1.00 72.50 H new ATOM 0 HG21 ILE A 92 3.091 -10.321 8.701 1.00 53.24 H new ATOM 0 HG22 ILE A 92 3.309 -10.954 7.052 1.00 53.24 H new ATOM 0 HG23 ILE A 92 4.408 -11.467 8.354 1.00 53.24 H new ATOM 0 HD11 ILE A 92 5.038 -8.173 10.847 1.00 5.15 H new ATOM 0 HD12 ILE A 92 3.860 -7.706 9.597 1.00 5.15 H new ATOM 0 HD13 ILE A 92 3.840 -9.355 10.266 1.00 5.15 H new ATOM 1479 N ASP A 93 5.006 -11.607 5.062 1.00 71.34 N ATOM 1480 CA ASP A 93 4.343 -12.129 3.872 1.00 44.23 C ATOM 1481 C ASP A 93 2.921 -12.577 4.194 1.00 42.21 C ATOM 1482 O ASP A 93 2.715 -13.578 4.880 1.00 72.13 O ATOM 1483 CB ASP A 93 5.140 -13.297 3.289 1.00 31.54 C ATOM 1484 CG ASP A 93 4.747 -13.610 1.859 1.00 61.02 C ATOM 1485 OD1 ASP A 93 3.756 -14.343 1.663 1.00 75.00 O ATOM 1486 OD2 ASP A 93 5.432 -13.122 0.935 1.00 31.31 O ATOM 0 H ASP A 93 5.399 -12.322 5.674 1.00 71.34 H new ATOM 0 HA ASP A 93 4.293 -11.329 3.133 1.00 44.23 H new ATOM 0 HB2 ASP A 93 6.204 -13.062 3.327 1.00 31.54 H new ATOM 0 HB3 ASP A 93 4.987 -14.182 3.907 1.00 31.54 H new ATOM 1491 N VAL A 94 1.943 -11.828 3.695 1.00 11.42 N ATOM 1492 CA VAL A 94 0.540 -12.147 3.930 1.00 72.34 C ATOM 1493 C VAL A 94 -0.053 -12.915 2.754 1.00 61.24 C ATOM 1494 O VAL A 94 0.331 -12.704 1.603 1.00 54.12 O ATOM 1495 CB VAL A 94 -0.293 -10.874 4.170 1.00 74.25 C ATOM 1496 CG1 VAL A 94 0.247 -10.099 5.361 1.00 44.40 C ATOM 1497 CG2 VAL A 94 -0.310 -10.006 2.921 1.00 52.24 C ATOM 0 H VAL A 94 2.097 -10.996 3.125 1.00 11.42 H new ATOM 0 HA VAL A 94 0.503 -12.770 4.824 1.00 72.34 H new ATOM 0 HB VAL A 94 -1.318 -11.168 4.394 1.00 74.25 H new ATOM 0 HG11 VAL A 94 -0.354 -9.203 5.515 1.00 44.40 H new ATOM 0 HG12 VAL A 94 0.202 -10.724 6.253 1.00 44.40 H new ATOM 0 HG13 VAL A 94 1.282 -9.813 5.170 1.00 44.40 H new ATOM 0 HG21 VAL A 94 -0.903 -9.111 3.108 1.00 52.24 H new ATOM 0 HG22 VAL A 94 0.709 -9.719 2.664 1.00 52.24 H new ATOM 0 HG23 VAL A 94 -0.749 -10.566 2.095 1.00 52.24 H new ATOM 1507 N LYS A 95 -0.991 -13.808 3.050 1.00 72.13 N ATOM 1508 CA LYS A 95 -1.640 -14.608 2.018 1.00 50.15 C ATOM 1509 C LYS A 95 -2.816 -13.854 1.404 1.00 21.42 C ATOM 1510 O LYS A 95 -3.202 -14.110 0.264 1.00 72.25 O ATOM 1511 CB LYS A 95 -2.122 -15.938 2.602 1.00 44.05 C ATOM 1512 CG LYS A 95 -1.503 -17.154 1.935 1.00 72.52 C ATOM 1513 CD LYS A 95 -2.546 -18.220 1.642 1.00 22.53 C ATOM 1514 CE LYS A 95 -2.141 -19.087 0.459 1.00 2.45 C ATOM 1515 NZ LYS A 95 -2.663 -18.548 -0.827 1.00 34.31 N ATOM 0 H LYS A 95 -1.319 -13.996 3.997 1.00 72.13 H new ATOM 0 HA LYS A 95 -0.909 -14.806 1.234 1.00 50.15 H new ATOM 0 HB2 LYS A 95 -1.893 -15.962 3.667 1.00 44.05 H new ATOM 0 HB3 LYS A 95 -3.206 -15.995 2.508 1.00 44.05 H new ATOM 0 HG2 LYS A 95 -1.018 -16.853 1.006 1.00 72.52 H new ATOM 0 HG3 LYS A 95 -0.728 -17.569 2.580 1.00 72.52 H new ATOM 0 HD2 LYS A 95 -2.685 -18.847 2.523 1.00 22.53 H new ATOM 0 HD3 LYS A 95 -3.505 -17.745 1.435 1.00 22.53 H new ATOM 0 HE2 LYS A 95 -1.054 -19.152 0.411 1.00 2.45 H new ATOM 0 HE3 LYS A 95 -2.514 -20.100 0.607 1.00 2.45 H new ATOM 0 HZ1 LYS A 95 -2.366 -19.166 -1.609 1.00 34.31 H new ATOM 0 HZ2 LYS A 95 -3.702 -18.510 -0.791 1.00 34.31 H new ATOM 0 HZ3 LYS A 95 -2.287 -17.591 -0.981 1.00 34.31 H new ATOM 1529 N ASP A 96 -3.380 -12.925 2.167 1.00 4.43 N ATOM 1530 CA ASP A 96 -4.510 -12.132 1.698 1.00 41.14 C ATOM 1531 C ASP A 96 -4.853 -11.030 2.695 1.00 31.25 C ATOM 1532 O ASP A 96 -4.241 -10.928 3.760 1.00 74.15 O ATOM 1533 CB ASP A 96 -5.728 -13.028 1.469 1.00 54.41 C ATOM 1534 CG ASP A 96 -5.799 -14.174 2.459 1.00 44.41 C ATOM 1535 OD1 ASP A 96 -5.936 -13.904 3.671 1.00 42.33 O ATOM 1536 OD2 ASP A 96 -5.717 -15.340 2.022 1.00 71.41 O ATOM 0 H ASP A 96 -3.073 -12.702 3.114 1.00 4.43 H new ATOM 0 HA ASP A 96 -4.228 -11.666 0.754 1.00 41.14 H new ATOM 0 HB2 ASP A 96 -6.635 -12.429 1.546 1.00 54.41 H new ATOM 0 HB3 ASP A 96 -5.695 -13.429 0.456 1.00 54.41 H new ATOM 1541 N THR A 97 -5.835 -10.206 2.345 1.00 52.34 N ATOM 1542 CA THR A 97 -6.258 -9.110 3.208 1.00 74.24 C ATOM 1543 C THR A 97 -6.517 -9.598 4.628 1.00 2.15 C ATOM 1544 O THR A 97 -5.941 -9.083 5.587 1.00 30.13 O ATOM 1545 CB THR A 97 -7.533 -8.432 2.670 1.00 5.31 C ATOM 1546 OG1 THR A 97 -7.274 -7.849 1.388 1.00 4.20 O ATOM 1547 CG2 THR A 97 -8.021 -7.359 3.631 1.00 2.54 C ATOM 0 H THR A 97 -6.353 -10.277 1.469 1.00 52.34 H new ATOM 0 HA THR A 97 -5.445 -8.384 3.219 1.00 74.24 H new ATOM 0 HB THR A 97 -8.309 -9.191 2.573 1.00 5.31 H new ATOM 0 HG1 THR A 97 -7.921 -8.191 0.736 1.00 4.20 H new ATOM 0 HG21 THR A 97 -8.922 -6.894 3.230 1.00 2.54 H new ATOM 0 HG22 THR A 97 -8.245 -7.811 4.597 1.00 2.54 H new ATOM 0 HG23 THR A 97 -7.247 -6.602 3.755 1.00 2.54 H new ATOM 1555 N LYS A 98 -7.386 -10.595 4.758 1.00 0.51 N ATOM 1556 CA LYS A 98 -7.720 -11.154 6.062 1.00 30.33 C ATOM 1557 C LYS A 98 -6.462 -11.599 6.802 1.00 52.40 C ATOM 1558 O LYS A 98 -6.234 -11.208 7.946 1.00 11.42 O ATOM 1559 CB LYS A 98 -8.676 -12.339 5.902 1.00 4.11 C ATOM 1560 CG LYS A 98 -9.280 -12.814 7.212 1.00 21.30 C ATOM 1561 CD LYS A 98 -10.535 -13.638 6.980 1.00 33.54 C ATOM 1562 CE LYS A 98 -10.974 -14.355 8.249 1.00 43.35 C ATOM 1563 NZ LYS A 98 -11.453 -15.737 7.968 1.00 44.52 N ATOM 0 H LYS A 98 -7.872 -11.033 3.975 1.00 0.51 H new ATOM 0 HA LYS A 98 -8.209 -10.376 6.648 1.00 30.33 H new ATOM 0 HB2 LYS A 98 -9.480 -12.057 5.222 1.00 4.11 H new ATOM 0 HB3 LYS A 98 -8.141 -13.167 5.437 1.00 4.11 H new ATOM 0 HG2 LYS A 98 -8.548 -13.410 7.757 1.00 21.30 H new ATOM 0 HG3 LYS A 98 -9.519 -11.953 7.837 1.00 21.30 H new ATOM 0 HD2 LYS A 98 -11.338 -12.989 6.631 1.00 33.54 H new ATOM 0 HD3 LYS A 98 -10.351 -14.369 6.193 1.00 33.54 H new ATOM 0 HE2 LYS A 98 -10.140 -14.395 8.950 1.00 43.35 H new ATOM 0 HE3 LYS A 98 -11.769 -13.786 8.731 1.00 43.35 H new ATOM 0 HZ1 LYS A 98 -11.743 -16.192 8.857 1.00 44.52 H new ATOM 0 HZ2 LYS A 98 -12.265 -15.698 7.319 1.00 44.52 H new ATOM 0 HZ3 LYS A 98 -10.687 -16.288 7.531 1.00 44.52 H new ATOM 1577 N GLU A 99 -5.649 -12.416 6.140 1.00 34.31 N ATOM 1578 CA GLU A 99 -4.415 -12.912 6.736 1.00 25.22 C ATOM 1579 C GLU A 99 -3.638 -11.779 7.400 1.00 5.01 C ATOM 1580 O GLU A 99 -3.120 -11.932 8.506 1.00 10.21 O ATOM 1581 CB GLU A 99 -3.545 -13.588 5.674 1.00 3.20 C ATOM 1582 CG GLU A 99 -3.536 -15.104 5.769 1.00 73.24 C ATOM 1583 CD GLU A 99 -2.373 -15.631 6.586 1.00 63.33 C ATOM 1584 OE1 GLU A 99 -2.394 -15.465 7.823 1.00 33.24 O ATOM 1585 OE2 GLU A 99 -1.441 -16.209 5.988 1.00 20.22 O ATOM 0 H GLU A 99 -5.823 -12.748 5.191 1.00 34.31 H new ATOM 0 HA GLU A 99 -4.679 -13.644 7.499 1.00 25.22 H new ATOM 0 HB2 GLU A 99 -3.901 -13.296 4.686 1.00 3.20 H new ATOM 0 HB3 GLU A 99 -2.523 -13.221 5.766 1.00 3.20 H new ATOM 0 HG2 GLU A 99 -4.471 -15.442 6.216 1.00 73.24 H new ATOM 0 HG3 GLU A 99 -3.491 -15.527 4.765 1.00 73.24 H new ATOM 1592 N ALA A 100 -3.560 -10.642 6.716 1.00 72.31 N ATOM 1593 CA ALA A 100 -2.848 -9.483 7.239 1.00 52.22 C ATOM 1594 C ALA A 100 -3.421 -9.047 8.583 1.00 22.54 C ATOM 1595 O ALA A 100 -2.690 -8.909 9.565 1.00 12.43 O ATOM 1596 CB ALA A 100 -2.905 -8.335 6.242 1.00 13.30 C ATOM 0 H ALA A 100 -3.981 -10.499 5.798 1.00 72.31 H new ATOM 0 HA ALA A 100 -1.807 -9.766 7.392 1.00 52.22 H new ATOM 0 HB1 ALA A 100 -2.369 -7.476 6.645 1.00 13.30 H new ATOM 0 HB2 ALA A 100 -2.442 -8.644 5.305 1.00 13.30 H new ATOM 0 HB3 ALA A 100 -3.945 -8.062 6.061 1.00 13.30 H new ATOM 1602 N LEU A 101 -4.731 -8.833 8.621 1.00 12.34 N ATOM 1603 CA LEU A 101 -5.402 -8.412 9.846 1.00 14.04 C ATOM 1604 C LEU A 101 -5.045 -9.334 11.007 1.00 21.35 C ATOM 1605 O LEU A 101 -4.522 -8.889 12.029 1.00 12.42 O ATOM 1606 CB LEU A 101 -6.918 -8.396 9.641 1.00 11.21 C ATOM 1607 CG LEU A 101 -7.429 -7.546 8.477 1.00 63.22 C ATOM 1608 CD1 LEU A 101 -8.912 -7.791 8.248 1.00 51.23 C ATOM 1609 CD2 LEU A 101 -7.164 -6.070 8.737 1.00 64.51 C ATOM 0 H LEU A 101 -5.350 -8.944 7.818 1.00 12.34 H new ATOM 0 HA LEU A 101 -5.063 -7.405 10.088 1.00 14.04 H new ATOM 0 HB2 LEU A 101 -7.255 -9.422 9.491 1.00 11.21 H new ATOM 0 HB3 LEU A 101 -7.385 -8.038 10.559 1.00 11.21 H new ATOM 0 HG LEU A 101 -6.890 -7.838 7.576 1.00 63.22 H new ATOM 0 HD11 LEU A 101 -9.258 -7.178 7.416 1.00 51.23 H new ATOM 0 HD12 LEU A 101 -9.075 -8.843 8.015 1.00 51.23 H new ATOM 0 HD13 LEU A 101 -9.467 -7.528 9.148 1.00 51.23 H new ATOM 0 HD21 LEU A 101 -7.534 -5.481 7.898 1.00 64.51 H new ATOM 0 HD22 LEU A 101 -7.675 -5.764 9.650 1.00 64.51 H new ATOM 0 HD23 LEU A 101 -6.092 -5.907 8.850 1.00 64.51 H new ATOM 1621 N ASP A 102 -5.328 -10.622 10.842 1.00 11.43 N ATOM 1622 CA ASP A 102 -5.033 -11.608 11.875 1.00 15.03 C ATOM 1623 C ASP A 102 -3.539 -11.646 12.180 1.00 71.45 C ATOM 1624 O ASP A 102 -3.114 -12.214 13.186 1.00 64.55 O ATOM 1625 CB ASP A 102 -5.514 -12.993 11.440 1.00 63.25 C ATOM 1626 CG ASP A 102 -6.953 -13.258 11.834 1.00 13.43 C ATOM 1627 OD1 ASP A 102 -7.185 -13.683 12.986 1.00 43.42 O ATOM 1628 OD2 ASP A 102 -7.849 -13.039 10.992 1.00 2.31 O ATOM 0 H ASP A 102 -5.761 -11.007 10.003 1.00 11.43 H new ATOM 0 HA ASP A 102 -5.562 -11.317 12.782 1.00 15.03 H new ATOM 0 HB2 ASP A 102 -5.414 -13.086 10.359 1.00 63.25 H new ATOM 0 HB3 ASP A 102 -4.873 -13.753 11.886 1.00 63.25 H new ATOM 1633 N LYS A 103 -2.746 -11.039 11.303 1.00 33.11 N ATOM 1634 CA LYS A 103 -1.299 -11.003 11.477 1.00 51.13 C ATOM 1635 C LYS A 103 -0.887 -9.837 12.370 1.00 33.10 C ATOM 1636 O LYS A 103 -0.210 -10.027 13.381 1.00 42.14 O ATOM 1637 CB LYS A 103 -0.605 -10.888 10.118 1.00 65.11 C ATOM 1638 CG LYS A 103 0.256 -12.091 9.771 1.00 10.31 C ATOM 1639 CD LYS A 103 -0.532 -13.137 9.001 1.00 12.11 C ATOM 1640 CE LYS A 103 0.332 -14.338 8.649 1.00 33.32 C ATOM 1641 NZ LYS A 103 0.572 -15.213 9.830 1.00 63.31 N ATOM 0 H LYS A 103 -3.082 -10.565 10.464 1.00 33.11 H new ATOM 0 HA LYS A 103 -0.992 -11.932 11.958 1.00 51.13 H new ATOM 0 HB2 LYS A 103 -1.361 -10.757 9.343 1.00 65.11 H new ATOM 0 HB3 LYS A 103 0.017 -9.993 10.111 1.00 65.11 H new ATOM 0 HG2 LYS A 103 1.111 -11.768 9.177 1.00 10.31 H new ATOM 0 HG3 LYS A 103 0.651 -12.533 10.686 1.00 10.31 H new ATOM 0 HD2 LYS A 103 -1.385 -13.463 9.597 1.00 12.11 H new ATOM 0 HD3 LYS A 103 -0.931 -12.694 8.088 1.00 12.11 H new ATOM 0 HE2 LYS A 103 -0.152 -14.915 7.861 1.00 33.32 H new ATOM 0 HE3 LYS A 103 1.287 -13.994 8.251 1.00 33.32 H new ATOM 0 HZ1 LYS A 103 1.165 -16.020 9.549 1.00 63.31 H new ATOM 0 HZ2 LYS A 103 1.057 -14.669 10.572 1.00 63.31 H new ATOM 0 HZ3 LYS A 103 -0.338 -15.562 10.194 1.00 63.31 H new