USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.17) USER MOD Set 2.1: A 80 CYS SG : rot 85:sc= -1.28 USER MOD Set 2.2: A 95 CYS SG : rot -45:sc= 0.132 USER MOD Set 3.1: A 83 GLN : amide:sc= -3.18! C(o=-3.2!,f=-4.3!) USER MOD Set 3.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 54 MET CE :methyl -163:sc= -0.993 (180deg=-2.27!) USER MOD Set 4.2: A 58 CYS SG : rot 14:sc= -4.8! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= -1.15 (180deg=-1.62) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.712 (180deg=-1.47!) USER MOD Single : A 27 ASN : amide:sc= -2 K(o=-2,f=-8.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.422 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.45) USER MOD Single : A 44 THR OG1 : rot -24:sc= -0.0517 USER MOD Single : A 46 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.46) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -7.89! C(o=-7.9!,f=-8.4!) USER MOD Single : A 60 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.022) USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.00107 USER MOD Single : A 65 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-7.1!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.1) USER MOD Single : A 86 CYS SG : rot 179:sc= -1.81 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 33:sc= 0.445 USER MOD Single : A 98 SER OG : rot 180:sc= -0.188 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -161:sc= 0.134 USER MOD Single : A 108 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 112 SER OG : rot -47:sc= 0.356 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.753 -2.424 -7.653 1.00 0.00 N ATOM 67 CA PHE A 8 -11.676 -1.767 -6.922 1.00 0.00 C ATOM 68 C PHE A 8 -11.204 -0.516 -7.656 1.00 0.00 C ATOM 69 O PHE A 8 -10.963 -0.545 -8.863 1.00 0.00 O ATOM 70 CB PHE A 8 -10.504 -2.730 -6.725 1.00 0.00 C ATOM 71 CG PHE A 8 -10.912 -4.069 -6.181 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.774 -4.160 -5.100 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.434 -5.238 -6.752 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.151 -5.391 -4.598 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.808 -6.472 -6.254 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.668 -6.549 -5.176 1.00 0.00 C ATOM 0 HA PHE A 8 -12.061 -1.470 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.998 -2.874 -7.680 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.782 -2.276 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.156 -3.258 -4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.762 -5.184 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.823 -5.448 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.428 -7.375 -6.708 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.962 -7.512 -4.786 1.00 0.00 H new ATOM 86 N VAL A 9 -11.075 0.583 -6.919 1.00 0.00 N ATOM 87 CA VAL A 9 -10.632 1.845 -7.499 1.00 0.00 C ATOM 88 C VAL A 9 -9.375 1.651 -8.340 1.00 0.00 C ATOM 89 O VAL A 9 -9.374 1.908 -9.544 1.00 0.00 O ATOM 90 CB VAL A 9 -10.350 2.895 -6.409 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.187 4.276 -7.026 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.461 2.895 -5.370 1.00 0.00 C ATOM 0 H VAL A 9 -11.271 0.624 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.441 2.202 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.416 2.634 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.988 5.005 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.354 4.264 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.102 4.550 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.246 3.643 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.410 3.131 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.525 1.911 -4.906 1.00 0.00 H new ATOM 102 N LYS A 10 -8.304 1.197 -7.697 1.00 0.00 N ATOM 103 CA LYS A 10 -7.039 0.967 -8.385 1.00 0.00 C ATOM 104 C LYS A 10 -6.360 -0.297 -7.866 1.00 0.00 C ATOM 105 O LYS A 10 -6.360 -0.565 -6.665 1.00 0.00 O ATOM 106 CB LYS A 10 -6.110 2.169 -8.203 1.00 0.00 C ATOM 107 CG LYS A 10 -4.702 1.934 -8.722 1.00 0.00 C ATOM 108 CD LYS A 10 -3.833 3.169 -8.556 1.00 0.00 C ATOM 109 CE LYS A 10 -2.353 2.815 -8.569 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.809 2.761 -9.954 1.00 0.00 N ATOM 0 H LYS A 10 -8.287 0.981 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.250 0.836 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.538 3.030 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.060 2.422 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.252 1.097 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.743 1.656 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.046 3.876 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.081 3.666 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.798 3.552 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.206 1.851 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.799 2.517 -9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.322 2.040 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.926 3.689 -10.409 1.00 0.00 H new ATOM 124 N SER A 11 -5.780 -1.070 -8.780 1.00 0.00 N ATOM 125 CA SER A 11 -5.100 -2.306 -8.414 1.00 0.00 C ATOM 126 C SER A 11 -3.744 -2.406 -9.108 1.00 0.00 C ATOM 127 O SER A 11 -3.640 -2.227 -10.320 1.00 0.00 O ATOM 128 CB SER A 11 -5.962 -3.516 -8.780 1.00 0.00 C ATOM 129 OG SER A 11 -6.068 -3.660 -10.185 1.00 0.00 O ATOM 0 H SER A 11 -5.768 -0.861 -9.778 1.00 0.00 H new ATOM 0 HA SER A 11 -4.938 -2.297 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.528 -4.419 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.956 -3.403 -8.347 1.00 0.00 H new ATOM 0 HG SER A 11 -6.622 -4.441 -10.393 1.00 0.00 H new ATOM 135 N GLY A 12 -2.707 -2.692 -8.327 1.00 0.00 N ATOM 136 CA GLY A 12 -1.371 -2.811 -8.883 1.00 0.00 C ATOM 137 C GLY A 12 -0.449 -3.633 -8.005 1.00 0.00 C ATOM 138 O GLY A 12 -0.832 -4.054 -6.913 1.00 0.00 O ATOM 0 H GLY A 12 -2.768 -2.843 -7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.431 -3.269 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.947 -1.816 -9.018 1.00 0.00 H new ATOM 142 N TRP A 13 0.769 -3.863 -8.481 1.00 0.00 N ATOM 143 CA TRP A 13 1.749 -4.642 -7.732 1.00 0.00 C ATOM 144 C TRP A 13 2.615 -3.737 -6.864 1.00 0.00 C ATOM 145 O TRP A 13 3.191 -2.761 -7.347 1.00 0.00 O ATOM 146 CB TRP A 13 2.630 -5.447 -8.688 1.00 0.00 C ATOM 147 CG TRP A 13 2.075 -6.802 -9.008 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.620 -7.236 -10.221 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.914 -7.899 -8.102 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.187 -8.537 -10.122 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.358 -8.966 -8.833 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.189 -8.083 -6.744 1.00 0.00 C ATOM 153 CZ2 TRP A 13 1.070 -10.197 -8.250 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.903 -9.306 -6.167 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.349 -10.350 -6.919 1.00 0.00 C ATOM 0 H TRP A 13 1.102 -3.521 -9.382 1.00 0.00 H new ATOM 0 HA TRP A 13 1.209 -5.330 -7.081 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.756 -4.886 -9.614 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.620 -5.563 -8.248 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.603 -6.644 -11.124 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.801 -9.093 -10.885 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.617 -7.284 -6.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.642 -11.003 -8.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.110 -9.459 -5.118 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.138 -11.294 -6.439 1.00 0.00 H new ATOM 166 N LEU A 14 2.704 -4.065 -5.579 1.00 0.00 N ATOM 167 CA LEU A 14 3.501 -3.280 -4.643 1.00 0.00 C ATOM 168 C LEU A 14 4.153 -4.179 -3.597 1.00 0.00 C ATOM 169 O LEU A 14 3.633 -5.247 -3.269 1.00 0.00 O ATOM 170 CB LEU A 14 2.628 -2.229 -3.955 1.00 0.00 C ATOM 171 CG LEU A 14 1.740 -1.389 -4.874 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.867 -0.448 -4.058 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.587 -0.608 -5.867 1.00 0.00 C ATOM 0 H LEU A 14 2.234 -4.869 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 14 4.288 -2.778 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.991 -2.734 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.277 -1.556 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 14 1.090 -2.062 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.242 0.142 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.233 -1.029 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.500 0.219 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.938 -0.016 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.263 0.055 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.168 -1.302 -6.475 1.00 0.00 H new ATOM 185 N LEU A 15 5.293 -3.740 -3.075 1.00 0.00 N ATOM 186 CA LEU A 15 6.015 -4.504 -2.063 1.00 0.00 C ATOM 187 C LEU A 15 5.553 -4.123 -0.660 1.00 0.00 C ATOM 188 O LEU A 15 5.047 -3.023 -0.440 1.00 0.00 O ATOM 189 CB LEU A 15 7.521 -4.269 -2.198 1.00 0.00 C ATOM 190 CG LEU A 15 8.118 -4.518 -3.584 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.382 -3.695 -3.776 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.407 -5.999 -3.781 1.00 0.00 C ATOM 0 H LEU A 15 5.737 -2.860 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 15 5.802 -5.561 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.735 -3.239 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.034 -4.912 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 15 7.391 -4.208 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.793 -3.885 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.145 -2.636 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.116 -3.974 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.831 -6.158 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.116 -6.335 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.481 -6.566 -3.687 1.00 0.00 H new ATOM 204 N ARG A 16 5.733 -5.040 0.285 1.00 0.00 N ATOM 205 CA ARG A 16 5.335 -4.800 1.667 1.00 0.00 C ATOM 206 C ARG A 16 6.397 -5.313 2.635 1.00 0.00 C ATOM 207 O ARG A 16 6.674 -6.511 2.689 1.00 0.00 O ATOM 208 CB ARG A 16 3.994 -5.476 1.959 1.00 0.00 C ATOM 209 CG ARG A 16 3.315 -4.963 3.219 1.00 0.00 C ATOM 210 CD ARG A 16 1.969 -5.636 3.439 1.00 0.00 C ATOM 211 NE ARG A 16 2.097 -6.882 4.190 1.00 0.00 N ATOM 212 CZ ARG A 16 2.451 -6.936 5.469 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.711 -5.820 6.136 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.545 -8.109 6.083 1.00 0.00 N ATOM 0 H ARG A 16 6.152 -5.955 0.119 1.00 0.00 H new ATOM 0 HA ARG A 16 5.229 -3.724 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.328 -5.324 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.151 -6.551 2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.959 -5.144 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.176 -3.884 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.307 -4.956 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.504 -5.840 2.475 1.00 0.00 H new ATOM 0 HE ARG A 16 1.904 -7.759 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.639 -4.917 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.983 -5.864 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.345 -8.969 5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.817 -8.150 7.065 1.00 0.00 H new ATOM 228 N GLN A 17 6.988 -4.398 3.397 1.00 0.00 N ATOM 229 CA GLN A 17 8.020 -4.759 4.362 1.00 0.00 C ATOM 230 C GLN A 17 7.399 -5.213 5.679 1.00 0.00 C ATOM 231 O GLN A 17 6.772 -4.423 6.385 1.00 0.00 O ATOM 232 CB GLN A 17 8.955 -3.573 4.607 1.00 0.00 C ATOM 233 CG GLN A 17 10.341 -3.980 5.081 1.00 0.00 C ATOM 234 CD GLN A 17 11.155 -2.803 5.583 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.154 -2.497 6.775 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.855 -2.136 4.673 1.00 0.00 N ATOM 0 H GLN A 17 6.770 -3.402 3.365 1.00 0.00 H new ATOM 0 HA GLN A 17 8.595 -5.587 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.049 -2.999 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.505 -2.913 5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.246 -4.718 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.874 -4.462 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.826 -2.425 3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.421 -1.335 4.952 1.00 0.00 H new ATOM 245 N SER A 18 7.578 -6.489 6.003 1.00 0.00 N ATOM 246 CA SER A 18 7.032 -7.050 7.233 1.00 0.00 C ATOM 247 C SER A 18 8.084 -7.062 8.338 1.00 0.00 C ATOM 248 O SER A 18 9.286 -7.048 8.069 1.00 0.00 O ATOM 249 CB SER A 18 6.517 -8.469 6.988 1.00 0.00 C ATOM 250 OG SER A 18 5.447 -8.782 7.862 1.00 0.00 O ATOM 0 H SER A 18 8.097 -7.155 5.430 1.00 0.00 H new ATOM 0 HA SER A 18 6.201 -6.421 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.186 -8.565 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.328 -9.183 7.131 1.00 0.00 H new ATOM 0 HG SER A 18 5.135 -9.694 7.684 1.00 0.00 H new ATOM 256 N THR A 19 7.623 -7.088 9.585 1.00 0.00 N ATOM 257 CA THR A 19 8.522 -7.100 10.732 1.00 0.00 C ATOM 258 C THR A 19 9.025 -8.510 11.021 1.00 0.00 C ATOM 259 O THR A 19 10.053 -8.691 11.673 1.00 0.00 O ATOM 260 CB THR A 19 7.833 -6.545 11.993 1.00 0.00 C ATOM 261 OG1 THR A 19 8.806 -6.293 13.012 1.00 0.00 O ATOM 262 CG2 THR A 19 6.787 -7.520 12.512 1.00 0.00 C ATOM 0 H THR A 19 6.632 -7.101 9.826 1.00 0.00 H new ATOM 0 HA THR A 19 9.367 -6.460 10.478 1.00 0.00 H new ATOM 0 HB THR A 19 7.336 -5.612 11.728 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.360 -5.939 13.810 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.314 -7.106 13.403 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.032 -7.686 11.744 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.265 -8.467 12.762 1.00 0.00 H new ATOM 270 N ILE A 20 8.293 -9.506 10.531 1.00 0.00 N ATOM 271 CA ILE A 20 8.667 -10.900 10.736 1.00 0.00 C ATOM 272 C ILE A 20 9.620 -11.380 9.646 1.00 0.00 C ATOM 273 O ILE A 20 10.619 -12.042 9.928 1.00 0.00 O ATOM 274 CB ILE A 20 7.430 -11.817 10.760 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.496 -11.420 11.906 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.851 -13.272 10.894 1.00 0.00 C ATOM 277 CD1 ILE A 20 7.141 -11.515 13.271 1.00 0.00 C ATOM 0 H ILE A 20 7.439 -9.373 9.990 1.00 0.00 H new ATOM 0 HA ILE A 20 9.168 -10.953 11.703 1.00 0.00 H new ATOM 0 HB ILE A 20 6.892 -11.700 9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.152 -10.398 11.746 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.614 -12.061 11.884 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.965 -13.907 10.909 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.481 -13.548 10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.409 -13.405 11.821 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.422 -11.219 14.035 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.461 -12.541 13.452 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.006 -10.853 13.312 1.00 0.00 H new ATOM 289 N LEU A 21 9.305 -11.039 8.402 1.00 0.00 N ATOM 290 CA LEU A 21 10.134 -11.433 7.268 1.00 0.00 C ATOM 291 C LEU A 21 11.264 -10.433 7.046 1.00 0.00 C ATOM 292 O LEU A 21 12.243 -10.727 6.359 1.00 0.00 O ATOM 293 CB LEU A 21 9.282 -11.547 6.003 1.00 0.00 C ATOM 294 CG LEU A 21 8.426 -12.807 5.881 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.175 -12.527 5.062 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.229 -13.940 5.259 1.00 0.00 C ATOM 0 H LEU A 21 8.482 -10.491 8.152 1.00 0.00 H new ATOM 0 HA LEU A 21 10.573 -12.405 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.624 -10.679 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.943 -11.496 5.138 1.00 0.00 H new ATOM 0 HG LEU A 21 8.120 -13.112 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.579 -13.436 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.588 -11.748 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.460 -12.196 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.603 -14.829 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.566 -13.644 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.094 -14.160 5.885 1.00 0.00 H new ATOM 308 N LYS A 22 11.123 -9.249 7.633 1.00 0.00 N ATOM 309 CA LYS A 22 12.133 -8.205 7.503 1.00 0.00 C ATOM 310 C LYS A 22 12.686 -8.157 6.083 1.00 0.00 C ATOM 311 O LYS A 22 13.899 -8.193 5.877 1.00 0.00 O ATOM 312 CB LYS A 22 13.271 -8.442 8.498 1.00 0.00 C ATOM 313 CG LYS A 22 13.080 -7.726 9.823 1.00 0.00 C ATOM 314 CD LYS A 22 13.679 -8.515 10.975 1.00 0.00 C ATOM 315 CE LYS A 22 14.172 -7.598 12.083 1.00 0.00 C ATOM 316 NZ LYS A 22 15.188 -8.263 12.944 1.00 0.00 N ATOM 0 H LYS A 22 10.319 -8.988 8.204 1.00 0.00 H new ATOM 0 HA LYS A 22 11.661 -7.247 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.363 -9.512 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.209 -8.114 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.544 -6.741 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.016 -7.569 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.932 -9.201 11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.507 -9.123 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.602 -6.697 11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.327 -7.283 12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.498 -7.604 13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.771 -9.109 13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.006 -8.541 12.365 1.00 0.00 H new ATOM 330 N ARG A 23 11.789 -8.073 5.106 1.00 0.00 N ATOM 331 CA ARG A 23 12.188 -8.019 3.704 1.00 0.00 C ATOM 332 C ARG A 23 11.033 -7.544 2.828 1.00 0.00 C ATOM 333 O ARG A 23 9.869 -7.617 3.224 1.00 0.00 O ATOM 334 CB ARG A 23 12.666 -9.395 3.235 1.00 0.00 C ATOM 335 CG ARG A 23 11.537 -10.321 2.815 1.00 0.00 C ATOM 336 CD ARG A 23 12.065 -11.556 2.103 1.00 0.00 C ATOM 337 NE ARG A 23 10.995 -12.485 1.750 1.00 0.00 N ATOM 338 CZ ARG A 23 11.086 -13.371 0.765 1.00 0.00 C ATOM 339 NH1 ARG A 23 12.192 -13.448 0.038 1.00 0.00 N ATOM 340 NH2 ARG A 23 10.068 -14.183 0.505 1.00 0.00 N ATOM 0 H ARG A 23 10.781 -8.041 5.259 1.00 0.00 H new ATOM 0 HA ARG A 23 13.008 -7.306 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.350 -9.266 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.232 -9.867 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.966 -10.622 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.852 -9.786 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.596 -11.254 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.788 -12.062 2.743 1.00 0.00 H new ATOM 0 HE ARG A 23 10.130 -12.452 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.976 -12.826 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.259 -14.130 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.215 -14.126 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.139 -14.863 -0.252 1.00 0.00 H new ATOM 354 N TRP A 24 11.362 -7.057 1.637 1.00 0.00 N ATOM 355 CA TRP A 24 10.352 -6.570 0.705 1.00 0.00 C ATOM 356 C TRP A 24 9.779 -7.714 -0.124 1.00 0.00 C ATOM 357 O TRP A 24 10.469 -8.293 -0.963 1.00 0.00 O ATOM 358 CB TRP A 24 10.950 -5.505 -0.217 1.00 0.00 C ATOM 359 CG TRP A 24 11.333 -4.246 0.500 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.559 -3.936 1.015 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.483 -3.129 0.783 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.523 -2.693 1.601 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.261 -2.177 1.471 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.141 -2.840 0.521 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.739 -0.960 1.900 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.625 -1.631 0.947 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.422 -0.702 1.629 1.00 0.00 C ATOM 0 H TRP A 24 12.320 -6.989 1.294 1.00 0.00 H new ATOM 0 HA TRP A 24 9.543 -6.126 1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.831 -5.915 -0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.229 -5.265 -0.998 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.429 -4.574 0.969 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.309 -2.230 2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.518 -3.549 -0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.351 -0.244 2.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.589 -1.398 0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.989 0.235 1.947 1.00 0.00 H new ATOM 378 N LYS A 25 8.512 -8.035 0.115 1.00 0.00 N ATOM 379 CA LYS A 25 7.844 -9.109 -0.611 1.00 0.00 C ATOM 380 C LYS A 25 6.724 -8.559 -1.488 1.00 0.00 C ATOM 381 O LYS A 25 5.908 -7.754 -1.038 1.00 0.00 O ATOM 382 CB LYS A 25 7.280 -10.140 0.369 1.00 0.00 C ATOM 383 CG LYS A 25 5.982 -9.707 1.027 1.00 0.00 C ATOM 384 CD LYS A 25 5.529 -10.706 2.078 1.00 0.00 C ATOM 385 CE LYS A 25 4.417 -10.137 2.946 1.00 0.00 C ATOM 386 NZ LYS A 25 4.955 -9.390 4.117 1.00 0.00 N ATOM 0 H LYS A 25 7.927 -7.566 0.806 1.00 0.00 H new ATOM 0 HA LYS A 25 8.580 -9.592 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.114 -11.079 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.022 -10.337 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.116 -8.728 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.207 -9.599 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.181 -11.616 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.376 -10.984 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.793 -9.474 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.778 -10.948 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.336 -8.581 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.992 -10.020 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.912 -9.047 3.900 1.00 0.00 H new ATOM 400 N LYS A 26 6.689 -8.999 -2.741 1.00 0.00 N ATOM 401 CA LYS A 26 5.668 -8.553 -3.681 1.00 0.00 C ATOM 402 C LYS A 26 4.272 -8.895 -3.170 1.00 0.00 C ATOM 403 O LYS A 26 4.020 -10.014 -2.725 1.00 0.00 O ATOM 404 CB LYS A 26 5.891 -9.196 -5.052 1.00 0.00 C ATOM 405 CG LYS A 26 5.391 -8.350 -6.210 1.00 0.00 C ATOM 406 CD LYS A 26 6.469 -7.408 -6.718 1.00 0.00 C ATOM 407 CE LYS A 26 7.332 -8.070 -7.781 1.00 0.00 C ATOM 408 NZ LYS A 26 8.309 -9.024 -7.186 1.00 0.00 N ATOM 0 H LYS A 26 7.357 -9.665 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 26 5.747 -7.470 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.956 -9.386 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.389 -10.163 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.062 -9.000 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.523 -7.773 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.006 -6.512 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.096 -7.088 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.694 -8.598 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.867 -7.305 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.116 -9.142 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.646 -8.653 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.848 -9.944 -7.036 1.00 0.00 H new ATOM 422 N ASN A 27 3.368 -7.923 -3.237 1.00 0.00 N ATOM 423 CA ASN A 27 1.997 -8.122 -2.781 1.00 0.00 C ATOM 424 C ASN A 27 1.006 -7.448 -3.726 1.00 0.00 C ATOM 425 O ASN A 27 1.352 -6.500 -4.431 1.00 0.00 O ATOM 426 CB ASN A 27 1.823 -7.570 -1.365 1.00 0.00 C ATOM 427 CG ASN A 27 2.605 -8.363 -0.335 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.364 -7.799 0.453 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.422 -9.678 -0.338 1.00 0.00 N ATOM 0 H ASN A 27 3.560 -6.990 -3.602 1.00 0.00 H new ATOM 0 HA ASN A 27 1.795 -9.193 -2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.147 -6.530 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.765 -7.580 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.921 -10.264 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.783 -10.102 -1.010 1.00 0.00 H new ATOM 436 N TRP A 28 -0.226 -7.944 -3.734 1.00 0.00 N ATOM 437 CA TRP A 28 -1.267 -7.390 -4.592 1.00 0.00 C ATOM 438 C TRP A 28 -2.256 -6.560 -3.781 1.00 0.00 C ATOM 439 O TRP A 28 -3.003 -7.095 -2.961 1.00 0.00 O ATOM 440 CB TRP A 28 -2.003 -8.512 -5.325 1.00 0.00 C ATOM 441 CG TRP A 28 -2.992 -8.013 -6.335 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.351 -8.142 -6.284 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.699 -7.307 -7.546 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.920 -7.559 -7.391 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.928 -7.039 -8.180 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.519 -6.874 -8.155 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.008 -6.359 -9.392 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.599 -6.200 -9.359 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.836 -5.947 -9.966 1.00 0.00 C ATOM 0 H TRP A 28 -0.528 -8.728 -3.156 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.791 -6.739 -5.325 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.274 -9.149 -5.825 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.522 -9.134 -4.595 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.898 -8.630 -5.491 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.919 -7.520 -7.592 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.561 -7.063 -7.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.960 -6.164 -9.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.693 -5.863 -9.840 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.865 -5.416 -10.906 1.00 0.00 H new ATOM 460 N PHE A 29 -2.257 -5.252 -4.015 1.00 0.00 N ATOM 461 CA PHE A 29 -3.156 -4.349 -3.305 1.00 0.00 C ATOM 462 C PHE A 29 -4.348 -3.970 -4.178 1.00 0.00 C ATOM 463 O PHE A 29 -4.274 -4.025 -5.406 1.00 0.00 O ATOM 464 CB PHE A 29 -2.406 -3.088 -2.870 1.00 0.00 C ATOM 465 CG PHE A 29 -1.406 -3.333 -1.776 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.784 -3.261 -0.445 1.00 0.00 C ATOM 467 CD2 PHE A 29 -0.088 -3.634 -2.079 1.00 0.00 C ATOM 468 CE1 PHE A 29 -0.866 -3.485 0.563 1.00 0.00 C ATOM 469 CE2 PHE A 29 0.835 -3.859 -1.075 1.00 0.00 C ATOM 470 CZ PHE A 29 0.445 -3.786 0.248 1.00 0.00 C ATOM 0 H PHE A 29 -1.646 -4.793 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.527 -4.867 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.892 -2.665 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.127 -2.344 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.808 -3.027 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.222 -3.694 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.173 -3.425 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.860 -4.092 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.163 -3.964 1.035 1.00 0.00 H new ATOM 480 N ASP A 30 -5.446 -3.586 -3.536 1.00 0.00 N ATOM 481 CA ASP A 30 -6.654 -3.197 -4.253 1.00 0.00 C ATOM 482 C ASP A 30 -7.540 -2.309 -3.384 1.00 0.00 C ATOM 483 O ASP A 30 -8.048 -2.744 -2.350 1.00 0.00 O ATOM 484 CB ASP A 30 -7.432 -4.437 -4.695 1.00 0.00 C ATOM 485 CG ASP A 30 -6.680 -5.255 -5.727 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.764 -6.009 -5.334 1.00 0.00 O ATOM 487 OD2 ASP A 30 -7.008 -5.143 -6.926 1.00 0.00 O ATOM 0 H ASP A 30 -5.524 -3.536 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.356 -2.630 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.642 -5.059 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.393 -4.131 -5.108 1.00 0.00 H new ATOM 492 N LEU A 31 -7.719 -1.064 -3.810 1.00 0.00 N ATOM 493 CA LEU A 31 -8.542 -0.113 -3.070 1.00 0.00 C ATOM 494 C LEU A 31 -10.009 -0.240 -3.467 1.00 0.00 C ATOM 495 O LEU A 31 -10.330 -0.441 -4.638 1.00 0.00 O ATOM 496 CB LEU A 31 -8.055 1.316 -3.320 1.00 0.00 C ATOM 497 CG LEU A 31 -8.559 2.377 -2.341 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.717 2.376 -1.074 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.545 3.752 -2.992 1.00 0.00 C ATOM 0 H LEU A 31 -7.306 -0.689 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.451 -0.340 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.965 1.317 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.352 1.609 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.587 2.136 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.090 3.137 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.778 1.398 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.679 2.593 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.907 4.495 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.527 4.002 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.191 3.745 -3.870 1.00 0.00 H new ATOM 511 N TRP A 32 -10.895 -0.118 -2.485 1.00 0.00 N ATOM 512 CA TRP A 32 -12.329 -0.217 -2.732 1.00 0.00 C ATOM 513 C TRP A 32 -12.947 1.166 -2.905 1.00 0.00 C ATOM 514 O TRP A 32 -12.310 2.181 -2.626 1.00 0.00 O ATOM 515 CB TRP A 32 -13.016 -0.956 -1.583 1.00 0.00 C ATOM 516 CG TRP A 32 -12.676 -2.415 -1.527 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.429 -2.968 -1.577 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.597 -3.505 -1.414 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.518 -4.337 -1.502 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.838 -4.692 -1.400 1.00 0.00 C ATOM 521 CE3 TRP A 32 -14.988 -3.595 -1.321 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.425 -5.950 -1.298 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.570 -4.844 -1.221 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.789 -6.008 -1.209 1.00 0.00 C ATOM 0 H TRP A 32 -10.646 0.050 -1.510 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.476 -0.779 -3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.734 -0.488 -0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.096 -0.846 -1.684 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.508 -2.411 -1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.730 -4.984 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.598 -2.704 -1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.825 -6.848 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.645 -4.925 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.274 -6.970 -1.128 1.00 0.00 H new ATOM 535 N SER A 33 -14.193 1.199 -3.368 1.00 0.00 N ATOM 536 CA SER A 33 -14.897 2.458 -3.582 1.00 0.00 C ATOM 537 C SER A 33 -15.308 3.083 -2.252 1.00 0.00 C ATOM 538 O SER A 33 -15.497 4.296 -2.156 1.00 0.00 O ATOM 539 CB SER A 33 -16.131 2.234 -4.457 1.00 0.00 C ATOM 540 OG SER A 33 -16.744 3.466 -4.798 1.00 0.00 O ATOM 0 H SER A 33 -14.736 0.368 -3.602 1.00 0.00 H new ATOM 0 HA SER A 33 -14.219 3.143 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.846 1.702 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.845 1.602 -3.929 1.00 0.00 H new ATOM 0 HG SER A 33 -17.530 3.296 -5.359 1.00 0.00 H new ATOM 546 N ASP A 34 -15.445 2.246 -1.230 1.00 0.00 N ATOM 547 CA ASP A 34 -15.833 2.715 0.096 1.00 0.00 C ATOM 548 C ASP A 34 -14.610 3.136 0.903 1.00 0.00 C ATOM 549 O ASP A 34 -14.731 3.610 2.032 1.00 0.00 O ATOM 550 CB ASP A 34 -16.600 1.622 0.842 1.00 0.00 C ATOM 551 CG ASP A 34 -18.061 1.561 0.439 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.777 2.560 0.654 1.00 0.00 O ATOM 553 OD2 ASP A 34 -18.487 0.514 -0.092 1.00 0.00 O ATOM 0 H ASP A 34 -15.293 1.239 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.480 3.583 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.132 0.657 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.529 1.800 1.915 1.00 0.00 H new ATOM 558 N GLY A 35 -13.430 2.960 0.316 1.00 0.00 N ATOM 559 CA GLY A 35 -12.201 3.326 0.995 1.00 0.00 C ATOM 560 C GLY A 35 -11.434 2.118 1.497 1.00 0.00 C ATOM 561 O GLY A 35 -10.203 2.105 1.482 1.00 0.00 O ATOM 0 H GLY A 35 -13.303 2.570 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.569 3.896 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.435 3.979 1.836 1.00 0.00 H new ATOM 565 N HIS A 36 -12.163 1.101 1.945 1.00 0.00 N ATOM 566 CA HIS A 36 -11.543 -0.117 2.456 1.00 0.00 C ATOM 567 C HIS A 36 -10.477 -0.629 1.492 1.00 0.00 C ATOM 568 O HIS A 36 -10.695 -0.683 0.281 1.00 0.00 O ATOM 569 CB HIS A 36 -12.602 -1.196 2.684 1.00 0.00 C ATOM 570 CG HIS A 36 -13.193 -1.175 4.060 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.457 -0.694 4.329 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.685 -1.580 5.247 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.700 -0.803 5.623 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.641 -1.339 6.203 1.00 0.00 N ATOM 0 H HIS A 36 -13.183 1.096 1.965 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.065 0.119 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.400 -1.070 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.156 -2.174 2.504 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.709 -2.012 5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.610 -0.505 6.122 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.548 -1.541 7.199 1.00 0.00 H new ATOM 583 N LEU A 37 -9.325 -1.003 2.037 1.00 0.00 N ATOM 584 CA LEU A 37 -8.224 -1.511 1.226 1.00 0.00 C ATOM 585 C LEU A 37 -7.878 -2.945 1.613 1.00 0.00 C ATOM 586 O LEU A 37 -7.687 -3.251 2.790 1.00 0.00 O ATOM 587 CB LEU A 37 -6.993 -0.616 1.384 1.00 0.00 C ATOM 588 CG LEU A 37 -5.689 -1.159 0.798 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.715 -1.085 -0.721 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.496 -0.392 1.351 1.00 0.00 C ATOM 0 H LEU A 37 -9.129 -0.964 3.037 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.540 -1.503 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.205 0.346 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.840 -0.427 2.447 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.590 -2.205 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.779 -1.476 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.547 -1.678 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.838 -0.048 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.577 -0.792 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.589 0.662 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.467 -0.497 2.436 1.00 0.00 H new ATOM 602 N ILE A 38 -7.796 -3.818 0.615 1.00 0.00 N ATOM 603 CA ILE A 38 -7.470 -5.219 0.852 1.00 0.00 C ATOM 604 C ILE A 38 -6.380 -5.698 -0.102 1.00 0.00 C ATOM 605 O ILE A 38 -6.431 -5.432 -1.303 1.00 0.00 O ATOM 606 CB ILE A 38 -8.708 -6.121 0.693 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.830 -5.652 1.621 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.348 -7.571 0.978 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.176 -6.261 1.298 1.00 0.00 C ATOM 0 H ILE A 38 -7.951 -3.580 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.109 -5.290 1.878 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.060 -6.051 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.566 -5.898 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.908 -4.566 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.234 -8.195 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.578 -7.899 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.974 -7.659 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.923 -5.883 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.462 -5.993 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.115 -7.346 1.384 1.00 0.00 H new ATOM 621 N TYR A 39 -5.397 -6.407 0.441 1.00 0.00 N ATOM 622 CA TYR A 39 -4.294 -6.923 -0.361 1.00 0.00 C ATOM 623 C TYR A 39 -4.171 -8.436 -0.208 1.00 0.00 C ATOM 624 O TYR A 39 -4.516 -8.997 0.832 1.00 0.00 O ATOM 625 CB TYR A 39 -2.982 -6.250 0.045 1.00 0.00 C ATOM 626 CG TYR A 39 -2.939 -5.833 1.498 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.804 -4.863 1.988 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.035 -6.411 2.381 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.768 -4.478 3.315 1.00 0.00 C ATOM 630 CE2 TYR A 39 -1.993 -6.034 3.709 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.861 -5.067 4.171 1.00 0.00 C ATOM 632 OH TYR A 39 -2.823 -4.687 5.493 1.00 0.00 O ATOM 0 H TYR A 39 -5.341 -6.638 1.433 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.502 -6.697 -1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.156 -6.934 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.825 -5.372 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.517 -4.402 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.353 -7.168 2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.446 -3.720 3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.284 -6.494 4.382 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.717 -4.403 5.777 1.00 0.00 H new ATOM 642 N TYR A 40 -3.677 -9.091 -1.253 1.00 0.00 N ATOM 643 CA TYR A 40 -3.509 -10.540 -1.238 1.00 0.00 C ATOM 644 C TYR A 40 -2.033 -10.918 -1.311 1.00 0.00 C ATOM 645 O TYR A 40 -1.174 -10.068 -1.545 1.00 0.00 O ATOM 646 CB TYR A 40 -4.269 -11.174 -2.404 1.00 0.00 C ATOM 647 CG TYR A 40 -5.747 -10.857 -2.408 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.227 -9.696 -3.001 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.664 -11.719 -1.819 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.577 -9.402 -3.006 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.016 -11.434 -1.820 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.467 -10.274 -2.415 1.00 0.00 C ATOM 653 OH TYR A 40 -9.812 -9.985 -2.419 1.00 0.00 O ATOM 0 H TYR A 40 -3.386 -8.642 -2.121 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.915 -10.918 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.830 -10.832 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.138 -12.255 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.533 -9.012 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.314 -12.628 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.933 -8.494 -3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.715 -12.115 -1.358 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.302 -10.701 -1.963 1.00 0.00 H new ATOM 663 N ASP A 41 -1.747 -12.200 -1.110 1.00 0.00 N ATOM 664 CA ASP A 41 -0.376 -12.693 -1.155 1.00 0.00 C ATOM 665 C ASP A 41 0.123 -12.781 -2.594 1.00 0.00 C ATOM 666 O ASP A 41 1.290 -12.505 -2.876 1.00 0.00 O ATOM 667 CB ASP A 41 -0.282 -14.065 -0.485 1.00 0.00 C ATOM 668 CG ASP A 41 1.145 -14.449 -0.150 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.878 -14.869 -1.070 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.529 -14.332 1.033 1.00 0.00 O ATOM 0 H ASP A 41 -2.447 -12.916 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 41 0.255 -11.989 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.878 -14.062 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.713 -14.818 -1.145 1.00 0.00 H new ATOM 675 N ASP A 42 -0.767 -13.168 -3.501 1.00 0.00 N ATOM 676 CA ASP A 42 -0.418 -13.293 -4.911 1.00 0.00 C ATOM 677 C ASP A 42 -1.610 -12.949 -5.799 1.00 0.00 C ATOM 678 O ASP A 42 -2.724 -12.760 -5.312 1.00 0.00 O ATOM 679 CB ASP A 42 0.068 -14.712 -5.215 1.00 0.00 C ATOM 680 CG ASP A 42 -0.592 -15.751 -4.330 1.00 0.00 C ATOM 681 OD1 ASP A 42 -1.669 -15.456 -3.771 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.032 -16.859 -4.197 1.00 0.00 O ATOM 0 H ASP A 42 -1.736 -13.401 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 42 0.386 -12.589 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.135 -14.947 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.149 -14.759 -5.082 1.00 0.00 H new ATOM 687 N GLN A 43 -1.366 -12.868 -7.103 1.00 0.00 N ATOM 688 CA GLN A 43 -2.419 -12.545 -8.058 1.00 0.00 C ATOM 689 C GLN A 43 -3.580 -13.527 -7.941 1.00 0.00 C ATOM 690 O GLN A 43 -4.688 -13.255 -8.405 1.00 0.00 O ATOM 691 CB GLN A 43 -1.866 -12.559 -9.484 1.00 0.00 C ATOM 692 CG GLN A 43 -2.707 -11.764 -10.470 1.00 0.00 C ATOM 693 CD GLN A 43 -3.786 -12.604 -11.126 1.00 0.00 C ATOM 694 OE1 GLN A 43 -4.967 -12.258 -11.087 1.00 0.00 O ATOM 695 NE2 GLN A 43 -3.384 -13.714 -11.734 1.00 0.00 N ATOM 0 H GLN A 43 -0.449 -13.022 -7.522 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.788 -11.545 -7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.853 -12.157 -9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.796 -13.591 -9.828 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.170 -10.924 -9.952 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.059 -11.346 -11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.395 -13.962 -11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.065 -14.319 -12.194 1.00 0.00 H new ATOM 704 N THR A 44 -3.319 -14.673 -7.319 1.00 0.00 N ATOM 705 CA THR A 44 -4.342 -15.697 -7.142 1.00 0.00 C ATOM 706 C THR A 44 -5.427 -15.229 -6.180 1.00 0.00 C ATOM 707 O THR A 44 -6.537 -15.763 -6.174 1.00 0.00 O ATOM 708 CB THR A 44 -3.735 -17.011 -6.616 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.164 -16.802 -5.319 1.00 0.00 O ATOM 710 CG2 THR A 44 -2.670 -17.535 -7.567 1.00 0.00 C ATOM 0 H THR A 44 -2.408 -14.915 -6.929 1.00 0.00 H new ATOM 0 HA THR A 44 -4.784 -15.877 -8.122 1.00 0.00 H new ATOM 0 HB THR A 44 -4.532 -17.751 -6.547 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.929 -15.856 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.256 -18.464 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.115 -17.721 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.875 -16.796 -7.665 1.00 0.00 H new ATOM 718 N ARG A 45 -5.100 -14.230 -5.366 1.00 0.00 N ATOM 719 CA ARG A 45 -6.048 -13.692 -4.398 1.00 0.00 C ATOM 720 C ARG A 45 -6.636 -14.805 -3.536 1.00 0.00 C ATOM 721 O ARG A 45 -7.778 -14.717 -3.086 1.00 0.00 O ATOM 722 CB ARG A 45 -7.172 -12.941 -5.116 1.00 0.00 C ATOM 723 CG ARG A 45 -6.694 -11.720 -5.884 1.00 0.00 C ATOM 724 CD ARG A 45 -7.856 -10.969 -6.516 1.00 0.00 C ATOM 725 NE ARG A 45 -7.444 -10.215 -7.696 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.250 -9.398 -8.365 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.505 -9.230 -7.971 1.00 0.00 N ATOM 728 NH2 ARG A 45 -7.801 -8.746 -9.430 1.00 0.00 N ATOM 0 H ARG A 45 -4.186 -13.777 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.512 -12.998 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.670 -13.622 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.916 -12.630 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.152 -11.055 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.993 -12.028 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.637 -11.677 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.288 -10.288 -5.783 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.484 -10.321 -8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.854 -9.729 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.122 -8.602 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.836 -8.872 -9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.421 -8.119 -9.943 1.00 0.00 H new ATOM 742 N GLN A 46 -5.848 -15.851 -3.310 1.00 0.00 N ATOM 743 CA GLN A 46 -6.291 -16.981 -2.503 1.00 0.00 C ATOM 744 C GLN A 46 -5.943 -16.769 -1.033 1.00 0.00 C ATOM 745 O GLN A 46 -6.692 -17.174 -0.143 1.00 0.00 O ATOM 746 CB GLN A 46 -5.654 -18.277 -3.008 1.00 0.00 C ATOM 747 CG GLN A 46 -6.160 -18.710 -4.375 1.00 0.00 C ATOM 748 CD GLN A 46 -7.624 -19.102 -4.358 1.00 0.00 C ATOM 749 OE1 GLN A 46 -8.092 -19.760 -3.429 1.00 0.00 O ATOM 750 NE2 GLN A 46 -8.357 -18.697 -5.389 1.00 0.00 N ATOM 0 H GLN A 46 -4.899 -15.939 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.374 -17.058 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.573 -18.147 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.849 -19.072 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.014 -17.897 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.566 -19.553 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.928 -18.153 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.349 -18.930 -5.432 1.00 0.00 H new ATOM 759 N SER A 47 -4.803 -16.134 -0.785 1.00 0.00 N ATOM 760 CA SER A 47 -4.354 -15.872 0.578 1.00 0.00 C ATOM 761 C SER A 47 -4.468 -14.388 0.912 1.00 0.00 C ATOM 762 O SER A 47 -3.581 -13.598 0.587 1.00 0.00 O ATOM 763 CB SER A 47 -2.908 -16.338 0.759 1.00 0.00 C ATOM 764 OG SER A 47 -2.665 -16.739 2.096 1.00 0.00 O ATOM 0 H SER A 47 -4.173 -15.791 -1.510 1.00 0.00 H new ATOM 0 HA SER A 47 -4.996 -16.430 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.703 -17.169 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.226 -15.532 0.488 1.00 0.00 H new ATOM 0 HG SER A 47 -1.735 -17.034 2.185 1.00 0.00 H new ATOM 770 N ILE A 48 -5.565 -14.016 1.562 1.00 0.00 N ATOM 771 CA ILE A 48 -5.795 -12.628 1.941 1.00 0.00 C ATOM 772 C ILE A 48 -4.786 -12.169 2.988 1.00 0.00 C ATOM 773 O ILE A 48 -4.913 -12.491 4.169 1.00 0.00 O ATOM 774 CB ILE A 48 -7.219 -12.423 2.492 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.258 -12.776 1.426 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.402 -10.989 2.964 1.00 0.00 C ATOM 777 CD1 ILE A 48 -9.671 -12.849 1.961 1.00 0.00 C ATOM 0 H ILE A 48 -6.309 -14.657 1.837 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.674 -12.031 1.037 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.362 -13.087 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.217 -12.032 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.997 -13.735 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.413 -10.859 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.681 -10.771 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.243 -10.308 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.354 -13.104 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.727 -13.613 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.951 -11.883 2.382 1.00 0.00 H new ATOM 789 N GLU A 49 -3.784 -11.415 2.546 1.00 0.00 N ATOM 790 CA GLU A 49 -2.753 -10.911 3.446 1.00 0.00 C ATOM 791 C GLU A 49 -3.377 -10.223 4.656 1.00 0.00 C ATOM 792 O GLU A 49 -3.166 -10.637 5.797 1.00 0.00 O ATOM 793 CB GLU A 49 -1.834 -9.936 2.708 1.00 0.00 C ATOM 794 CG GLU A 49 -0.635 -10.604 2.056 1.00 0.00 C ATOM 795 CD GLU A 49 0.328 -11.192 3.069 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.076 -12.318 3.544 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.335 -10.524 3.385 1.00 0.00 O ATOM 0 H GLU A 49 -3.664 -11.140 1.571 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.165 -11.759 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.410 -9.416 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.481 -9.181 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.982 -11.393 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.108 -9.875 1.440 1.00 0.00 H new ATOM 804 N ASP A 50 -4.145 -9.170 4.400 1.00 0.00 N ATOM 805 CA ASP A 50 -4.800 -8.423 5.468 1.00 0.00 C ATOM 806 C ASP A 50 -5.774 -7.398 4.896 1.00 0.00 C ATOM 807 O ASP A 50 -5.883 -7.240 3.679 1.00 0.00 O ATOM 808 CB ASP A 50 -3.759 -7.724 6.343 1.00 0.00 C ATOM 809 CG ASP A 50 -4.331 -7.272 7.673 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.748 -8.142 8.466 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.359 -6.049 7.921 1.00 0.00 O ATOM 0 H ASP A 50 -4.330 -8.814 3.462 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.362 -9.129 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.924 -8.402 6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.361 -6.861 5.810 1.00 0.00 H new ATOM 816 N LYS A 51 -6.481 -6.703 5.780 1.00 0.00 N ATOM 817 CA LYS A 51 -7.446 -5.692 5.365 1.00 0.00 C ATOM 818 C LYS A 51 -7.404 -4.485 6.296 1.00 0.00 C ATOM 819 O LYS A 51 -7.406 -4.630 7.519 1.00 0.00 O ATOM 820 CB LYS A 51 -8.857 -6.283 5.342 1.00 0.00 C ATOM 821 CG LYS A 51 -9.956 -5.237 5.413 1.00 0.00 C ATOM 822 CD LYS A 51 -11.313 -5.830 5.073 1.00 0.00 C ATOM 823 CE LYS A 51 -11.796 -6.779 6.159 1.00 0.00 C ATOM 824 NZ LYS A 51 -12.404 -6.047 7.304 1.00 0.00 N ATOM 0 H LYS A 51 -6.404 -6.822 6.790 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.180 -5.363 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.982 -6.868 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.967 -6.971 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.986 -4.807 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.730 -4.423 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.039 -5.028 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.251 -6.363 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.528 -7.469 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.959 -7.380 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.721 -6.729 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.698 -5.407 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.218 -5.494 6.969 1.00 0.00 H new ATOM 838 N VAL A 52 -7.368 -3.292 5.710 1.00 0.00 N ATOM 839 CA VAL A 52 -7.329 -2.059 6.488 1.00 0.00 C ATOM 840 C VAL A 52 -7.999 -0.914 5.737 1.00 0.00 C ATOM 841 O VAL A 52 -7.853 -0.785 4.521 1.00 0.00 O ATOM 842 CB VAL A 52 -5.881 -1.657 6.829 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.815 -0.192 7.232 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.328 -2.547 7.932 1.00 0.00 C ATOM 0 H VAL A 52 -7.365 -3.153 4.699 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.873 -2.250 7.413 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.265 -1.793 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.785 0.074 7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.170 0.428 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.443 -0.027 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.305 -2.250 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.944 -2.444 8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.339 -3.586 7.601 1.00 0.00 H new ATOM 854 N HIS A 53 -8.735 -0.084 6.470 1.00 0.00 N ATOM 855 CA HIS A 53 -9.428 1.052 5.873 1.00 0.00 C ATOM 856 C HIS A 53 -8.494 2.252 5.744 1.00 0.00 C ATOM 857 O HIS A 53 -7.407 2.269 6.321 1.00 0.00 O ATOM 858 CB HIS A 53 -10.649 1.430 6.712 1.00 0.00 C ATOM 859 CG HIS A 53 -11.804 1.928 5.899 1.00 0.00 C ATOM 860 ND1 HIS A 53 -13.036 2.221 6.443 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.908 2.185 4.574 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.849 2.636 5.488 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.189 2.624 4.344 1.00 0.00 N ATOM 0 H HIS A 53 -8.867 -0.177 7.477 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.758 0.761 4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.968 0.560 7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.362 2.199 7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.129 2.067 3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.878 2.934 5.620 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.569 2.896 3.437 1.00 0.00 H new ATOM 872 N MET A 54 -8.925 3.252 4.983 1.00 0.00 N ATOM 873 CA MET A 54 -8.127 4.456 4.779 1.00 0.00 C ATOM 874 C MET A 54 -8.656 5.609 5.625 1.00 0.00 C ATOM 875 O MET A 54 -8.029 6.040 6.593 1.00 0.00 O ATOM 876 CB MET A 54 -8.127 4.850 3.301 1.00 0.00 C ATOM 877 CG MET A 54 -6.932 4.315 2.529 1.00 0.00 C ATOM 878 SD MET A 54 -5.358 4.839 3.236 1.00 0.00 S ATOM 879 CE MET A 54 -5.472 6.615 3.038 1.00 0.00 C ATOM 0 H MET A 54 -9.822 3.253 4.497 1.00 0.00 H new ATOM 0 HA MET A 54 -7.105 4.241 5.090 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.043 4.484 2.836 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.142 5.937 3.223 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.974 3.226 2.512 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.992 4.653 1.494 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.481 7.057 3.140 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.872 6.846 2.051 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.133 7.025 3.802 1.00 0.00 H new ATOM 889 N PRO A 55 -9.838 6.123 5.253 1.00 0.00 N ATOM 890 CA PRO A 55 -10.478 7.233 5.965 1.00 0.00 C ATOM 891 C PRO A 55 -10.979 6.825 7.346 1.00 0.00 C ATOM 892 O PRO A 55 -11.587 7.624 8.058 1.00 0.00 O ATOM 893 CB PRO A 55 -11.654 7.606 5.058 1.00 0.00 C ATOM 894 CG PRO A 55 -11.958 6.359 4.302 1.00 0.00 C ATOM 895 CD PRO A 55 -10.641 5.659 4.109 1.00 0.00 C ATOM 0 HA PRO A 55 -9.784 8.054 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.514 7.936 5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.392 8.423 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.657 5.730 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.422 6.588 3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.757 4.575 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.179 5.927 3.159 1.00 0.00 H new ATOM 903 N VAL A 56 -10.721 5.575 7.718 1.00 0.00 N ATOM 904 CA VAL A 56 -11.145 5.061 9.015 1.00 0.00 C ATOM 905 C VAL A 56 -9.953 4.562 9.824 1.00 0.00 C ATOM 906 O VAL A 56 -9.797 4.906 10.996 1.00 0.00 O ATOM 907 CB VAL A 56 -12.162 3.915 8.859 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.194 3.055 10.113 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.544 4.468 8.547 1.00 0.00 C ATOM 0 H VAL A 56 -10.221 4.900 7.140 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.619 5.888 9.544 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.850 3.287 8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.918 2.251 9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.206 2.629 10.287 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.481 3.668 10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.250 3.644 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.867 5.120 9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.507 5.037 7.618 1.00 0.00 H new ATOM 919 N ASP A 57 -9.114 3.749 9.191 1.00 0.00 N ATOM 920 CA ASP A 57 -7.934 3.203 9.852 1.00 0.00 C ATOM 921 C ASP A 57 -6.721 4.100 9.626 1.00 0.00 C ATOM 922 O ASP A 57 -6.019 4.461 10.572 1.00 0.00 O ATOM 923 CB ASP A 57 -7.643 1.792 9.338 1.00 0.00 C ATOM 924 CG ASP A 57 -8.307 0.721 10.181 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.938 0.585 11.366 1.00 0.00 O ATOM 926 OD2 ASP A 57 -9.196 0.018 9.655 1.00 0.00 O ATOM 0 H ASP A 57 -9.229 3.454 8.221 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.135 3.157 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.988 1.705 8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.566 1.627 9.328 1.00 0.00 H new ATOM 931 N CYS A 58 -6.480 4.455 8.369 1.00 0.00 N ATOM 932 CA CYS A 58 -5.350 5.308 8.019 1.00 0.00 C ATOM 933 C CYS A 58 -5.602 6.749 8.451 1.00 0.00 C ATOM 934 O CYS A 58 -6.538 7.394 7.978 1.00 0.00 O ATOM 935 CB CYS A 58 -5.090 5.253 6.513 1.00 0.00 C ATOM 936 SG CYS A 58 -3.692 6.261 5.968 1.00 0.00 S ATOM 0 H CYS A 58 -7.052 4.166 7.575 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.471 4.938 8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.912 4.217 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.987 5.581 5.988 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.987 6.619 7.000 1.00 0.00 H new ATOM 942 N ILE A 59 -4.763 7.246 9.354 1.00 0.00 N ATOM 943 CA ILE A 59 -4.896 8.610 9.850 1.00 0.00 C ATOM 944 C ILE A 59 -3.928 9.550 9.140 1.00 0.00 C ATOM 945 O ILE A 59 -4.204 10.738 8.981 1.00 0.00 O ATOM 946 CB ILE A 59 -4.646 8.684 11.368 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.413 7.860 11.744 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.869 8.196 12.130 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.893 8.151 13.135 1.00 0.00 C ATOM 0 H ILE A 59 -3.984 6.725 9.757 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.920 8.923 9.643 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.462 9.723 11.642 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.658 6.800 11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.621 8.055 11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.677 8.254 13.201 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.726 8.821 11.880 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.081 7.163 11.855 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.019 7.531 13.334 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.616 9.203 13.207 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.669 7.929 13.867 1.00 0.00 H new ATOM 961 N ASN A 60 -2.791 9.008 8.715 1.00 0.00 N ATOM 962 CA ASN A 60 -1.781 9.799 8.020 1.00 0.00 C ATOM 963 C ASN A 60 -1.191 9.019 6.849 1.00 0.00 C ATOM 964 O ASN A 60 -1.371 7.805 6.744 1.00 0.00 O ATOM 965 CB ASN A 60 -0.668 10.206 8.988 1.00 0.00 C ATOM 966 CG ASN A 60 -0.008 11.513 8.593 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.549 12.593 8.834 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.167 11.422 7.981 1.00 0.00 N ATOM 0 H ASN A 60 -2.546 8.026 8.839 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.262 10.696 7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.080 10.299 9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.085 9.418 9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.658 12.268 7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.579 10.506 7.801 1.00 0.00 H new ATOM 975 N ILE A 61 -0.486 9.725 5.971 1.00 0.00 N ATOM 976 CA ILE A 61 0.132 9.099 4.808 1.00 0.00 C ATOM 977 C ILE A 61 1.552 9.611 4.598 1.00 0.00 C ATOM 978 O ILE A 61 1.758 10.764 4.220 1.00 0.00 O ATOM 979 CB ILE A 61 -0.688 9.353 3.530 1.00 0.00 C ATOM 980 CG1 ILE A 61 -2.148 8.948 3.744 1.00 0.00 C ATOM 981 CG2 ILE A 61 -0.089 8.594 2.356 1.00 0.00 C ATOM 982 CD1 ILE A 61 -3.104 9.590 2.763 1.00 0.00 C ATOM 0 H ILE A 61 -0.329 10.730 6.043 1.00 0.00 H new ATOM 0 HA ILE A 61 0.160 8.027 5.004 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.656 10.419 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.231 7.864 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.446 9.216 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.680 8.784 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.936 8.927 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.093 7.526 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.120 9.257 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.050 10.674 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.832 9.301 1.748 1.00 0.00 H new ATOM 994 N ARG A 62 2.530 8.745 4.844 1.00 0.00 N ATOM 995 CA ARG A 62 3.932 9.109 4.681 1.00 0.00 C ATOM 996 C ARG A 62 4.494 8.542 3.380 1.00 0.00 C ATOM 997 O ARG A 62 4.135 7.440 2.964 1.00 0.00 O ATOM 998 CB ARG A 62 4.754 8.602 5.867 1.00 0.00 C ATOM 999 CG ARG A 62 4.097 8.852 7.215 1.00 0.00 C ATOM 1000 CD ARG A 62 5.080 8.657 8.359 1.00 0.00 C ATOM 1001 NE ARG A 62 4.402 8.503 9.643 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.033 8.230 10.779 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.351 8.082 10.791 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.347 8.104 11.908 1.00 0.00 N ATOM 0 H ARG A 62 2.377 7.786 5.157 1.00 0.00 H new ATOM 0 HA ARG A 62 3.996 10.196 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.925 7.532 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.731 9.085 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.699 9.866 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.252 8.175 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.692 7.776 8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.756 9.511 8.406 1.00 0.00 H new ATOM 0 HE ARG A 62 3.388 8.611 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.883 8.178 9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.833 7.872 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.333 8.217 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.833 7.894 12.780 1.00 0.00 H new ATOM 1018 N THR A 63 5.376 9.304 2.741 1.00 0.00 N ATOM 1019 CA THR A 63 5.986 8.879 1.487 1.00 0.00 C ATOM 1020 C THR A 63 7.459 9.267 1.433 1.00 0.00 C ATOM 1021 O THR A 63 7.821 10.409 1.714 1.00 0.00 O ATOM 1022 CB THR A 63 5.261 9.491 0.274 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.977 10.873 0.519 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.966 8.746 -0.015 1.00 0.00 C ATOM 0 H THR A 63 5.684 10.219 3.071 1.00 0.00 H new ATOM 0 HA THR A 63 5.897 7.793 1.444 1.00 0.00 H new ATOM 0 HB THR A 63 5.914 9.403 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.741 11.289 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.472 9.196 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.188 7.701 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.310 8.807 0.853 1.00 0.00 H new ATOM 1032 N GLY A 64 8.306 8.309 1.069 1.00 0.00 N ATOM 1033 CA GLY A 64 9.731 8.571 0.984 1.00 0.00 C ATOM 1034 C GLY A 64 10.369 8.752 2.347 1.00 0.00 C ATOM 1035 O GLY A 64 10.250 7.888 3.216 1.00 0.00 O ATOM 0 H GLY A 64 8.031 7.356 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.219 7.746 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.898 9.467 0.386 1.00 0.00 H new ATOM 1039 N HIS A 65 11.052 9.877 2.534 1.00 0.00 N ATOM 1040 CA HIS A 65 11.713 10.168 3.801 1.00 0.00 C ATOM 1041 C HIS A 65 10.702 10.216 4.943 1.00 0.00 C ATOM 1042 O HIS A 65 10.903 9.598 5.988 1.00 0.00 O ATOM 1043 CB HIS A 65 12.466 11.496 3.715 1.00 0.00 C ATOM 1044 CG HIS A 65 13.209 11.680 2.428 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.383 11.018 2.135 1.00 0.00 N ATOM 1046 CD2 HIS A 65 12.939 12.456 1.352 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.803 11.380 0.936 1.00 0.00 C ATOM 1048 NE2 HIS A 65 13.944 12.252 0.440 1.00 0.00 N ATOM 0 H HIS A 65 11.162 10.602 1.825 1.00 0.00 H new ATOM 0 HA HIS A 65 12.425 9.368 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.757 12.315 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.171 11.559 4.544 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.090 13.113 1.233 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.697 11.024 0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 65 14.016 12.701 -0.473 1.00 0.00 H new ATOM 1057 N GLU A 66 9.617 10.955 4.736 1.00 0.00 N ATOM 1058 CA GLU A 66 8.576 11.085 5.749 1.00 0.00 C ATOM 1059 C GLU A 66 8.295 9.740 6.414 1.00 0.00 C ATOM 1060 O GLU A 66 8.121 9.662 7.631 1.00 0.00 O ATOM 1061 CB GLU A 66 7.293 11.637 5.126 1.00 0.00 C ATOM 1062 CG GLU A 66 7.387 13.103 4.738 1.00 0.00 C ATOM 1063 CD GLU A 66 7.949 13.966 5.850 1.00 0.00 C ATOM 1064 OE1 GLU A 66 9.189 14.020 5.990 1.00 0.00 O ATOM 1065 OE2 GLU A 66 7.149 14.589 6.580 1.00 0.00 O ATOM 0 H GLU A 66 9.436 11.473 3.876 1.00 0.00 H new ATOM 0 HA GLU A 66 8.929 11.781 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.047 11.051 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.472 11.508 5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.017 13.201 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.396 13.467 4.466 1.00 0.00 H new ATOM 1138 N GLN A 71 13.990 1.657 4.788 1.00 0.00 N ATOM 1139 CA GLN A 71 14.891 1.861 3.659 1.00 0.00 C ATOM 1140 C GLN A 71 14.393 1.118 2.424 1.00 0.00 C ATOM 1141 O GLN A 71 13.864 0.009 2.508 1.00 0.00 O ATOM 1142 CB GLN A 71 16.303 1.393 4.016 1.00 0.00 C ATOM 1143 CG GLN A 71 16.949 2.201 5.130 1.00 0.00 C ATOM 1144 CD GLN A 71 18.058 1.443 5.832 1.00 0.00 C ATOM 1145 OE1 GLN A 71 19.234 1.587 5.494 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.691 0.631 6.816 1.00 0.00 N ATOM 0 HA GLN A 71 14.915 2.927 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.265 0.345 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.931 1.449 3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.351 3.126 4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.188 2.482 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.705 0.542 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.395 0.096 7.325 1.00 0.00 H new ATOM 1155 N PRO A 72 14.564 1.741 1.249 1.00 0.00 N ATOM 1156 CA PRO A 72 14.139 1.156 -0.026 1.00 0.00 C ATOM 1157 C PRO A 72 14.990 -0.043 -0.427 1.00 0.00 C ATOM 1158 O PRO A 72 16.137 -0.191 -0.003 1.00 0.00 O ATOM 1159 CB PRO A 72 14.327 2.303 -1.023 1.00 0.00 C ATOM 1160 CG PRO A 72 15.379 3.165 -0.414 1.00 0.00 C ATOM 1161 CD PRO A 72 15.187 3.064 1.074 1.00 0.00 C ATOM 0 HA PRO A 72 13.118 0.776 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.636 1.932 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.399 2.855 -1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.375 2.828 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.281 4.197 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.135 3.135 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.548 3.862 1.452 1.00 0.00 H new ATOM 1169 N PRO A 73 14.420 -0.922 -1.264 1.00 0.00 N ATOM 1170 CA PRO A 73 15.110 -2.124 -1.741 1.00 0.00 C ATOM 1171 C PRO A 73 16.246 -1.796 -2.704 1.00 0.00 C ATOM 1172 O PRO A 73 16.669 -0.645 -2.811 1.00 0.00 O ATOM 1173 CB PRO A 73 14.007 -2.904 -2.462 1.00 0.00 C ATOM 1174 CG PRO A 73 13.021 -1.869 -2.877 1.00 0.00 C ATOM 1175 CD PRO A 73 13.057 -0.810 -1.810 1.00 0.00 C ATOM 0 HA PRO A 73 15.578 -2.676 -0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.402 -3.443 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.551 -3.644 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.280 -1.451 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.022 -2.296 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.869 0.182 -2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.302 -0.985 -1.044 1.00 0.00 H new ATOM 1183 N ASP A 74 16.736 -2.815 -3.402 1.00 0.00 N ATOM 1184 CA ASP A 74 17.823 -2.634 -4.357 1.00 0.00 C ATOM 1185 C ASP A 74 17.284 -2.209 -5.720 1.00 0.00 C ATOM 1186 O ASP A 74 16.265 -2.720 -6.182 1.00 0.00 O ATOM 1187 CB ASP A 74 18.630 -3.927 -4.495 1.00 0.00 C ATOM 1188 CG ASP A 74 19.591 -4.135 -3.341 1.00 0.00 C ATOM 1189 OD1 ASP A 74 19.177 -3.934 -2.180 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.757 -4.499 -3.599 1.00 0.00 O ATOM 0 H ASP A 74 16.398 -3.774 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 74 18.475 -1.845 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.947 -4.774 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.189 -3.905 -5.430 1.00 0.00 H new ATOM 1195 N GLY A 75 17.976 -1.269 -6.357 1.00 0.00 N ATOM 1196 CA GLY A 75 17.551 -0.790 -7.660 1.00 0.00 C ATOM 1197 C GLY A 75 16.227 -0.054 -7.603 1.00 0.00 C ATOM 1198 O GLY A 75 15.430 -0.121 -8.538 1.00 0.00 O ATOM 0 H GLY A 75 18.823 -0.831 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.315 -0.127 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.465 -1.634 -8.344 1.00 0.00 H new ATOM 1202 N LYS A 76 15.991 0.650 -6.501 1.00 0.00 N ATOM 1203 CA LYS A 76 14.754 1.402 -6.324 1.00 0.00 C ATOM 1204 C LYS A 76 14.997 2.662 -5.500 1.00 0.00 C ATOM 1205 O LYS A 76 15.674 2.640 -4.471 1.00 0.00 O ATOM 1206 CB LYS A 76 13.696 0.531 -5.644 1.00 0.00 C ATOM 1207 CG LYS A 76 13.274 -0.671 -6.471 1.00 0.00 C ATOM 1208 CD LYS A 76 12.174 -0.312 -7.455 1.00 0.00 C ATOM 1209 CE LYS A 76 11.425 -1.548 -7.930 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.347 -2.572 -8.494 1.00 0.00 N ATOM 0 H LYS A 76 16.640 0.716 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 76 14.393 1.697 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.084 0.184 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.818 1.141 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.135 -1.061 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.927 -1.465 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.475 0.380 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.606 0.205 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.870 -1.979 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.694 -1.262 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.794 -3.311 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.989 -2.122 -9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.903 -2.999 -7.726 1.00 0.00 H new ATOM 1224 N PRO A 77 14.432 3.789 -5.959 1.00 0.00 N ATOM 1225 CA PRO A 77 14.572 5.079 -5.277 1.00 0.00 C ATOM 1226 C PRO A 77 13.814 5.122 -3.955 1.00 0.00 C ATOM 1227 O PRO A 77 13.280 4.109 -3.503 1.00 0.00 O ATOM 1228 CB PRO A 77 13.968 6.073 -6.272 1.00 0.00 C ATOM 1229 CG PRO A 77 13.014 5.266 -7.083 1.00 0.00 C ATOM 1230 CD PRO A 77 13.613 3.890 -7.178 1.00 0.00 C ATOM 0 HA PRO A 77 15.609 5.292 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.459 6.888 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.738 6.523 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.032 5.232 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.878 5.702 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.844 3.118 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.217 3.776 -8.078 1.00 0.00 H new ATOM 1238 N ARG A 78 13.771 6.299 -3.341 1.00 0.00 N ATOM 1239 CA ARG A 78 13.078 6.473 -2.069 1.00 0.00 C ATOM 1240 C ARG A 78 11.745 7.188 -2.270 1.00 0.00 C ATOM 1241 O ARG A 78 10.806 6.998 -1.497 1.00 0.00 O ATOM 1242 CB ARG A 78 13.951 7.263 -1.093 1.00 0.00 C ATOM 1243 CG ARG A 78 13.179 7.845 0.080 1.00 0.00 C ATOM 1244 CD ARG A 78 14.063 8.001 1.307 1.00 0.00 C ATOM 1245 NE ARG A 78 15.298 8.721 1.004 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.319 8.816 1.849 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.253 8.240 3.041 1.00 0.00 N ATOM 1248 NH2 ARG A 78 17.409 9.488 1.500 1.00 0.00 N ATOM 0 H ARG A 78 14.208 7.147 -3.703 1.00 0.00 H new ATOM 0 HA ARG A 78 12.881 5.485 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.737 6.611 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.442 8.073 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.768 8.815 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.335 7.198 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.514 8.533 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.306 7.016 1.706 1.00 0.00 H new ATOM 0 HE ARG A 78 15.381 9.175 0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.417 7.722 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.038 8.315 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.463 9.932 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.193 9.561 2.149 1.00 0.00 H new ATOM 1262 N ASP A 79 11.671 8.010 -3.311 1.00 0.00 N ATOM 1263 CA ASP A 79 10.454 8.753 -3.613 1.00 0.00 C ATOM 1264 C ASP A 79 9.318 7.806 -3.989 1.00 0.00 C ATOM 1265 O ASP A 79 8.149 8.192 -3.988 1.00 0.00 O ATOM 1266 CB ASP A 79 10.705 9.744 -4.751 1.00 0.00 C ATOM 1267 CG ASP A 79 11.290 11.054 -4.259 1.00 0.00 C ATOM 1268 OD1 ASP A 79 10.675 11.682 -3.371 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.362 11.449 -4.761 1.00 0.00 O ATOM 0 H ASP A 79 12.440 8.178 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 79 10.163 9.304 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.384 9.296 -5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.768 9.941 -5.271 1.00 0.00 H new ATOM 1274 N CYS A 80 9.671 6.566 -4.309 1.00 0.00 N ATOM 1275 CA CYS A 80 8.681 5.564 -4.689 1.00 0.00 C ATOM 1276 C CYS A 80 8.183 4.801 -3.466 1.00 0.00 C ATOM 1277 O CYS A 80 7.493 3.788 -3.591 1.00 0.00 O ATOM 1278 CB CYS A 80 9.277 4.588 -5.706 1.00 0.00 C ATOM 1279 SG CYS A 80 10.672 3.626 -5.076 1.00 0.00 S ATOM 0 H CYS A 80 10.634 6.230 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 80 7.835 6.079 -5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.496 3.903 -6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.602 5.148 -6.583 1.00 0.00 H new ATOM 0 HG CYS A 80 10.228 2.580 -4.444 1.00 0.00 H new ATOM 1285 N LEU A 81 8.538 5.292 -2.284 1.00 0.00 N ATOM 1286 CA LEU A 81 8.128 4.656 -1.037 1.00 0.00 C ATOM 1287 C LEU A 81 6.756 5.156 -0.595 1.00 0.00 C ATOM 1288 O LEU A 81 6.439 6.338 -0.738 1.00 0.00 O ATOM 1289 CB LEU A 81 9.160 4.927 0.060 1.00 0.00 C ATOM 1290 CG LEU A 81 10.427 4.074 0.015 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.312 4.368 1.216 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.072 2.595 -0.038 1.00 0.00 C ATOM 0 H LEU A 81 9.109 6.129 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 81 8.064 3.582 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.450 5.976 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.680 4.778 1.027 1.00 0.00 H new ATOM 0 HG LEU A 81 10.981 4.328 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.209 3.751 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.595 5.421 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.767 4.143 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.986 2.002 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.496 2.327 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.479 2.395 -0.930 1.00 0.00 H new ATOM 1304 N LEU A 82 5.948 4.251 -0.056 1.00 0.00 N ATOM 1305 CA LEU A 82 4.610 4.600 0.409 1.00 0.00 C ATOM 1306 C LEU A 82 4.293 3.903 1.728 1.00 0.00 C ATOM 1307 O LEU A 82 4.253 2.675 1.798 1.00 0.00 O ATOM 1308 CB LEU A 82 3.567 4.221 -0.644 1.00 0.00 C ATOM 1309 CG LEU A 82 2.217 4.931 -0.537 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.257 6.268 -1.261 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.107 4.053 -1.097 1.00 0.00 C ATOM 0 H LEU A 82 6.195 3.270 0.070 1.00 0.00 H new ATOM 0 HA LEU A 82 4.579 5.677 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.985 4.424 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.395 3.146 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 82 2.010 5.118 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.287 6.758 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.025 6.900 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.488 6.105 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.153 4.574 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.310 3.835 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.062 3.121 -0.534 1.00 0.00 H new ATOM 1323 N GLN A 83 4.067 4.696 2.771 1.00 0.00 N ATOM 1324 CA GLN A 83 3.752 4.154 4.088 1.00 0.00 C ATOM 1325 C GLN A 83 2.364 4.597 4.541 1.00 0.00 C ATOM 1326 O GLN A 83 1.916 5.697 4.215 1.00 0.00 O ATOM 1327 CB GLN A 83 4.800 4.598 5.109 1.00 0.00 C ATOM 1328 CG GLN A 83 5.008 3.603 6.239 1.00 0.00 C ATOM 1329 CD GLN A 83 6.165 3.980 7.143 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.017 4.798 8.052 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.326 3.384 6.899 1.00 0.00 N ATOM 0 H GLN A 83 4.096 5.715 2.730 1.00 0.00 H new ATOM 0 HA GLN A 83 3.762 3.066 4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.749 4.758 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.500 5.557 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.096 3.536 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.188 2.614 5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.404 2.712 6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.140 3.598 7.475 1.00 0.00 H new ATOM 1340 N ILE A 84 1.689 3.734 5.293 1.00 0.00 N ATOM 1341 CA ILE A 84 0.353 4.037 5.790 1.00 0.00 C ATOM 1342 C ILE A 84 0.276 3.855 7.302 1.00 0.00 C ATOM 1343 O ILE A 84 0.492 2.758 7.818 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.712 3.148 5.122 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.503 3.117 3.606 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.108 3.649 5.460 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.829 4.427 2.925 1.00 0.00 C ATOM 0 H ILE A 84 2.046 2.820 5.571 1.00 0.00 H new ATOM 0 HA ILE A 84 0.152 5.079 5.540 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.610 2.133 5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.534 2.856 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.123 2.330 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.850 3.010 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.252 3.624 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.224 4.672 5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.658 4.332 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.874 4.680 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.191 5.214 3.326 1.00 0.00 H new ATOM 1359 N VAL A 85 -0.037 4.937 8.008 1.00 0.00 N ATOM 1360 CA VAL A 85 -0.146 4.896 9.462 1.00 0.00 C ATOM 1361 C VAL A 85 -1.600 4.759 9.899 1.00 0.00 C ATOM 1362 O VAL A 85 -2.478 5.464 9.400 1.00 0.00 O ATOM 1363 CB VAL A 85 0.455 6.160 10.105 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.615 5.970 11.606 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.788 6.504 9.458 1.00 0.00 C ATOM 0 H VAL A 85 -0.220 5.853 7.597 1.00 0.00 H new ATOM 0 HA VAL A 85 0.416 4.024 9.798 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.229 6.992 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.041 6.873 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.359 5.774 12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.278 5.126 11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.198 7.400 9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.482 5.674 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.640 6.685 8.393 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.847 3.849 10.834 1.00 0.00 N ATOM 1376 CA CYS A 86 -3.196 3.619 11.340 1.00 0.00 C ATOM 1377 C CYS A 86 -3.463 4.464 12.581 1.00 0.00 C ATOM 1378 O CYS A 86 -2.601 5.223 13.024 1.00 0.00 O ATOM 1379 CB CYS A 86 -3.395 2.137 11.665 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.896 1.675 13.340 1.00 0.00 S ATOM 0 H CYS A 86 -1.131 3.258 11.257 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.903 3.912 10.564 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.446 1.884 11.528 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.828 1.540 10.951 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.124 0.409 13.527 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.663 4.328 13.136 1.00 0.00 N ATOM 1387 CA ARG A 87 -5.045 5.082 14.324 1.00 0.00 C ATOM 1388 C ARG A 87 -4.070 4.822 15.469 1.00 0.00 C ATOM 1389 O ARG A 87 -3.257 5.681 15.812 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.465 4.711 14.755 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.516 4.990 13.694 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.773 4.165 13.923 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.480 2.737 14.016 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.362 1.832 14.426 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.584 2.204 14.779 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.021 0.551 14.484 1.00 0.00 N ATOM 0 H ARG A 87 -5.387 3.703 12.782 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.014 6.143 14.076 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.493 3.652 15.012 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.718 5.265 15.659 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.769 6.050 13.701 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.108 4.767 12.708 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.262 4.495 14.840 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.475 4.339 13.107 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.548 2.417 13.752 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.850 3.188 14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.259 1.506 15.093 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.081 0.261 14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.699 -0.143 14.799 1.00 0.00 H new ATOM 1410 N ASP A 88 -4.158 3.634 16.056 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.284 3.261 17.162 1.00 0.00 C ATOM 1412 C ASP A 88 -1.837 3.645 16.865 1.00 0.00 C ATOM 1413 O ASP A 88 -1.290 4.561 17.476 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.381 1.758 17.432 1.00 0.00 C ATOM 1415 CG ASP A 88 -4.798 1.315 17.735 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -5.301 1.643 18.831 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -5.405 0.640 16.878 1.00 0.00 O ATOM 0 H ASP A 88 -4.826 2.912 15.784 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.610 3.804 18.049 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.010 1.211 16.565 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.735 1.500 18.272 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.224 2.935 15.922 1.00 0.00 N ATOM 1423 CA GLY A 89 0.154 3.216 15.562 1.00 0.00 C ATOM 1424 C GLY A 89 0.638 2.357 14.410 1.00 0.00 C ATOM 1425 O GLY A 89 1.515 2.764 13.648 1.00 0.00 O ATOM 0 H GLY A 89 -1.656 2.172 15.402 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.249 4.268 15.292 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.794 3.051 16.429 1.00 0.00 H new ATOM 1429 N LYS A 90 0.068 1.164 14.284 1.00 0.00 N ATOM 1430 CA LYS A 90 0.446 0.244 13.218 1.00 0.00 C ATOM 1431 C LYS A 90 0.818 1.005 11.949 1.00 0.00 C ATOM 1432 O LYS A 90 0.059 1.851 11.474 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.699 -0.728 12.925 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.259 -1.983 12.189 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.451 -2.786 11.695 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.116 -3.555 10.427 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.331 -4.144 9.798 1.00 0.00 N ATOM 0 H LYS A 90 -0.658 0.811 14.907 1.00 0.00 H new ATOM 0 HA LYS A 90 1.317 -0.320 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.170 -1.015 13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.456 -0.216 12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.371 -1.708 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.348 -2.601 12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.769 -3.482 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.289 -2.116 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.626 -2.889 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.407 -4.349 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.060 -4.660 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.785 -4.799 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.997 -3.384 9.552 1.00 0.00 H new ATOM 1451 N THR A 91 1.990 0.697 11.402 1.00 0.00 N ATOM 1452 CA THR A 91 2.463 1.352 10.189 1.00 0.00 C ATOM 1453 C THR A 91 2.805 0.330 9.111 1.00 0.00 C ATOM 1454 O THR A 91 3.522 -0.638 9.366 1.00 0.00 O ATOM 1455 CB THR A 91 3.702 2.223 10.466 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.388 3.225 11.440 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.194 2.887 9.189 1.00 0.00 C ATOM 0 H THR A 91 2.629 -0.002 11.780 1.00 0.00 H new ATOM 0 HA THR A 91 1.652 1.990 9.838 1.00 0.00 H new ATOM 0 HB THR A 91 4.493 1.579 10.849 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.731 2.870 12.075 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.070 3.497 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.460 2.122 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.406 3.519 8.780 1.00 0.00 H new ATOM 1465 N ILE A 92 2.289 0.551 7.907 1.00 0.00 N ATOM 1466 CA ILE A 92 2.543 -0.350 6.790 1.00 0.00 C ATOM 1467 C ILE A 92 3.549 0.252 5.815 1.00 0.00 C ATOM 1468 O ILE A 92 3.366 1.368 5.328 1.00 0.00 O ATOM 1469 CB ILE A 92 1.245 -0.684 6.030 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.225 -1.323 6.974 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.541 -1.607 4.857 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.205 -1.188 6.500 1.00 0.00 C ATOM 0 H ILE A 92 1.692 1.347 7.680 1.00 0.00 H new ATOM 0 HA ILE A 92 2.954 -1.267 7.212 1.00 0.00 H new ATOM 0 HB ILE A 92 0.821 0.242 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.462 -2.380 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.317 -0.866 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.614 -1.834 4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.236 -1.117 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.985 -2.532 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.873 -1.664 7.218 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.461 -0.132 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.313 -1.671 5.529 1.00 0.00 H new ATOM 1484 N SER A 93 4.611 -0.495 5.533 1.00 0.00 N ATOM 1485 CA SER A 93 5.649 -0.035 4.617 1.00 0.00 C ATOM 1486 C SER A 93 5.438 -0.615 3.222 1.00 0.00 C ATOM 1487 O SER A 93 5.558 -1.823 3.014 1.00 0.00 O ATOM 1488 CB SER A 93 7.032 -0.427 5.141 1.00 0.00 C ATOM 1489 OG SER A 93 7.180 -0.071 6.505 1.00 0.00 O ATOM 0 H SER A 93 4.776 -1.422 5.926 1.00 0.00 H new ATOM 0 HA SER A 93 5.587 1.051 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.178 -1.501 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.802 0.066 4.548 1.00 0.00 H new ATOM 0 HG SER A 93 8.071 -0.333 6.817 1.00 0.00 H new ATOM 1495 N LEU A 94 5.123 0.255 2.268 1.00 0.00 N ATOM 1496 CA LEU A 94 4.895 -0.169 0.891 1.00 0.00 C ATOM 1497 C LEU A 94 5.898 0.485 -0.053 1.00 0.00 C ATOM 1498 O LEU A 94 6.466 1.533 0.257 1.00 0.00 O ATOM 1499 CB LEU A 94 3.469 0.178 0.459 1.00 0.00 C ATOM 1500 CG LEU A 94 2.355 -0.258 1.411 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.068 0.492 1.104 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.133 -1.761 1.320 1.00 0.00 C ATOM 0 H LEU A 94 5.020 1.258 2.423 1.00 0.00 H new ATOM 0 HA LEU A 94 5.030 -1.250 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.404 1.258 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.285 -0.275 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 94 2.658 -0.017 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.286 0.169 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.234 1.563 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.760 0.282 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.337 -2.053 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.851 -2.026 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.052 -2.282 1.589 1.00 0.00 H new ATOM 1514 N CYS A 95 6.110 -0.138 -1.207 1.00 0.00 N ATOM 1515 CA CYS A 95 7.044 0.384 -2.198 1.00 0.00 C ATOM 1516 C CYS A 95 6.481 0.236 -3.608 1.00 0.00 C ATOM 1517 O CYS A 95 5.976 -0.824 -3.976 1.00 0.00 O ATOM 1518 CB CYS A 95 8.388 -0.338 -2.094 1.00 0.00 C ATOM 1519 SG CYS A 95 9.696 0.384 -3.112 1.00 0.00 S ATOM 0 H CYS A 95 5.648 -1.005 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 95 7.193 1.445 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.710 -0.335 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.251 -1.380 -2.383 1.00 0.00 H new ATOM 0 HG CYS A 95 9.231 0.639 -4.299 1.00 0.00 H new ATOM 1525 N ALA A 96 6.570 1.306 -4.391 1.00 0.00 N ATOM 1526 CA ALA A 96 6.070 1.294 -5.760 1.00 0.00 C ATOM 1527 C ALA A 96 7.177 0.936 -6.746 1.00 0.00 C ATOM 1528 O ALA A 96 8.361 1.025 -6.422 1.00 0.00 O ATOM 1529 CB ALA A 96 5.464 2.645 -6.112 1.00 0.00 C ATOM 0 H ALA A 96 6.984 2.192 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 96 5.295 0.530 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.095 2.622 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.639 2.861 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.224 3.420 -6.018 1.00 0.00 H new ATOM 1535 N GLU A 97 6.783 0.530 -7.949 1.00 0.00 N ATOM 1536 CA GLU A 97 7.743 0.157 -8.981 1.00 0.00 C ATOM 1537 C GLU A 97 8.574 1.362 -9.412 1.00 0.00 C ATOM 1538 O GLU A 97 9.771 1.243 -9.671 1.00 0.00 O ATOM 1539 CB GLU A 97 7.020 -0.438 -10.191 1.00 0.00 C ATOM 1540 CG GLU A 97 6.840 -1.945 -10.112 1.00 0.00 C ATOM 1541 CD GLU A 97 5.862 -2.470 -11.146 1.00 0.00 C ATOM 1542 OE1 GLU A 97 5.956 -2.051 -12.319 1.00 0.00 O ATOM 1543 OE2 GLU A 97 5.004 -3.301 -10.782 1.00 0.00 O ATOM 0 H GLU A 97 5.806 0.451 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 97 8.414 -0.594 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.041 0.032 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.580 -0.194 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.806 -2.430 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.489 -2.214 -9.116 1.00 0.00 H new ATOM 1550 N SER A 98 7.928 2.521 -9.488 1.00 0.00 N ATOM 1551 CA SER A 98 8.605 3.748 -9.893 1.00 0.00 C ATOM 1552 C SER A 98 7.871 4.975 -9.359 1.00 0.00 C ATOM 1553 O SER A 98 6.667 4.931 -9.103 1.00 0.00 O ATOM 1554 CB SER A 98 8.703 3.822 -11.418 1.00 0.00 C ATOM 1555 OG SER A 98 9.416 2.713 -11.938 1.00 0.00 O ATOM 0 H SER A 98 6.937 2.636 -9.275 1.00 0.00 H new ATOM 0 HA SER A 98 9.610 3.735 -9.472 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.702 3.849 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.201 4.747 -11.709 1.00 0.00 H new ATOM 0 HG SER A 98 9.463 2.783 -12.914 1.00 0.00 H new ATOM 1561 N THR A 99 8.606 6.070 -9.192 1.00 0.00 N ATOM 1562 CA THR A 99 8.028 7.309 -8.687 1.00 0.00 C ATOM 1563 C THR A 99 6.632 7.535 -9.255 1.00 0.00 C ATOM 1564 O THR A 99 5.706 7.893 -8.527 1.00 0.00 O ATOM 1565 CB THR A 99 8.913 8.522 -9.031 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.247 8.305 -8.558 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.351 9.793 -8.412 1.00 0.00 C ATOM 0 H THR A 99 9.603 6.124 -9.399 1.00 0.00 H new ATOM 0 HA THR A 99 7.965 7.211 -7.603 1.00 0.00 H new ATOM 0 HB THR A 99 8.927 8.639 -10.115 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.804 9.080 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.992 10.637 -8.668 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.346 9.971 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.311 9.683 -7.328 1.00 0.00 H new ATOM 1575 N ASP A 100 6.487 7.323 -10.558 1.00 0.00 N ATOM 1576 CA ASP A 100 5.201 7.502 -11.224 1.00 0.00 C ATOM 1577 C ASP A 100 4.115 6.680 -10.537 1.00 0.00 C ATOM 1578 O ASP A 100 3.004 7.163 -10.315 1.00 0.00 O ATOM 1579 CB ASP A 100 5.306 7.104 -12.697 1.00 0.00 C ATOM 1580 CG ASP A 100 6.357 7.904 -13.440 1.00 0.00 C ATOM 1581 OD1 ASP A 100 6.612 9.060 -13.043 1.00 0.00 O ATOM 1582 OD2 ASP A 100 6.923 7.376 -14.419 1.00 0.00 O ATOM 0 H ASP A 100 7.244 7.027 -11.175 1.00 0.00 H new ATOM 0 HA ASP A 100 4.929 8.556 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.545 6.043 -12.767 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.338 7.246 -13.178 1.00 0.00 H new ATOM 1587 N ASP A 101 4.442 5.436 -10.206 1.00 0.00 N ATOM 1588 CA ASP A 101 3.494 4.547 -9.545 1.00 0.00 C ATOM 1589 C ASP A 101 3.119 5.080 -8.165 1.00 0.00 C ATOM 1590 O ASP A 101 1.940 5.243 -7.852 1.00 0.00 O ATOM 1591 CB ASP A 101 4.084 3.141 -9.419 1.00 0.00 C ATOM 1592 CG ASP A 101 3.018 2.063 -9.437 1.00 0.00 C ATOM 1593 OD1 ASP A 101 2.455 1.767 -8.363 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.749 1.513 -10.526 1.00 0.00 O ATOM 0 H ASP A 101 5.356 5.020 -10.385 1.00 0.00 H new ATOM 0 HA ASP A 101 2.591 4.501 -10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.784 2.969 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.653 3.070 -8.492 1.00 0.00 H new ATOM 1599 N CYS A 102 4.130 5.348 -7.346 1.00 0.00 N ATOM 1600 CA CYS A 102 3.906 5.861 -5.999 1.00 0.00 C ATOM 1601 C CYS A 102 2.980 7.073 -6.025 1.00 0.00 C ATOM 1602 O CYS A 102 1.958 7.101 -5.338 1.00 0.00 O ATOM 1603 CB CYS A 102 5.238 6.237 -5.346 1.00 0.00 C ATOM 1604 SG CYS A 102 5.082 6.859 -3.656 1.00 0.00 S ATOM 0 H CYS A 102 5.112 5.219 -7.591 1.00 0.00 H new ATOM 0 HA CYS A 102 3.430 5.075 -5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.888 5.362 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.729 6.995 -5.957 1.00 0.00 H new ATOM 0 HG CYS A 102 6.161 7.508 -3.331 1.00 0.00 H new ATOM 1610 N LEU A 103 3.344 8.072 -6.821 1.00 0.00 N ATOM 1611 CA LEU A 103 2.546 9.288 -6.936 1.00 0.00 C ATOM 1612 C LEU A 103 1.075 8.955 -7.162 1.00 0.00 C ATOM 1613 O LEU A 103 0.191 9.564 -6.562 1.00 0.00 O ATOM 1614 CB LEU A 103 3.066 10.156 -8.083 1.00 0.00 C ATOM 1615 CG LEU A 103 4.257 11.058 -7.756 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.755 11.760 -9.009 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.878 12.074 -6.688 1.00 0.00 C ATOM 0 H LEU A 103 4.186 8.064 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 103 2.635 9.841 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.347 9.502 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.248 10.783 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 103 5.064 10.436 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.603 12.397 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.066 11.017 -9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.954 12.370 -9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.737 12.708 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.055 12.691 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.570 11.552 -5.782 1.00 0.00 H new ATOM 1629 N ALA A 104 0.821 7.981 -8.031 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.543 7.564 -8.333 1.00 0.00 C ATOM 1631 C ALA A 104 -1.254 7.064 -7.081 1.00 0.00 C ATOM 1632 O ALA A 104 -2.350 7.520 -6.754 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.539 6.485 -9.406 1.00 0.00 C ATOM 0 H ALA A 104 1.542 7.467 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.088 8.431 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.564 6.183 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.077 6.875 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.027 5.623 -9.053 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.625 6.125 -6.384 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.199 5.563 -5.167 1.00 0.00 C ATOM 1641 C TRP A 105 -1.439 6.650 -4.125 1.00 0.00 C ATOM 1642 O TRP A 105 -2.509 6.720 -3.520 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.277 4.485 -4.594 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.543 3.119 -5.150 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.310 2.360 -5.901 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.742 2.351 -5.002 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.288 1.167 -6.228 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.546 1.136 -5.688 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -2.961 2.571 -4.355 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.525 0.148 -5.744 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.932 1.589 -4.413 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.709 0.389 -5.102 1.00 0.00 C ATOM 0 H TRP A 105 0.283 5.737 -6.641 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.158 5.113 -5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.759 4.757 -4.798 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.392 4.457 -3.510 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.307 2.654 -6.194 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.137 0.424 -6.783 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.141 3.491 -3.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.356 -0.777 -6.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.879 1.749 -3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.487 -0.360 -5.127 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.437 7.499 -3.921 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.540 8.585 -2.953 1.00 0.00 C ATOM 1665 C LYS A 106 -1.754 9.460 -3.244 1.00 0.00 C ATOM 1666 O LYS A 106 -2.665 9.568 -2.423 1.00 0.00 O ATOM 1667 CB LYS A 106 0.732 9.436 -2.974 1.00 0.00 C ATOM 1668 CG LYS A 106 0.619 10.720 -2.171 1.00 0.00 C ATOM 1669 CD LYS A 106 1.986 11.294 -1.842 1.00 0.00 C ATOM 1670 CE LYS A 106 1.909 12.785 -1.549 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.876 13.594 -2.798 1.00 0.00 N ATOM 0 H LYS A 106 0.455 7.456 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.660 8.146 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.561 8.845 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.976 9.684 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.042 11.453 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.073 10.526 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.402 10.774 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.665 11.121 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.017 12.993 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.768 13.082 -0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.824 14.604 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.739 13.415 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.043 13.329 -3.361 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.762 10.082 -4.418 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.866 10.948 -4.818 1.00 0.00 C ATOM 1687 C PHE A 107 -4.209 10.285 -4.528 1.00 0.00 C ATOM 1688 O PHE A 107 -5.153 10.937 -4.080 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.762 11.288 -6.306 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.607 12.189 -6.636 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.399 13.360 -5.924 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.728 11.865 -7.657 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.337 14.191 -6.227 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.336 12.693 -7.964 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.532 13.857 -7.247 1.00 0.00 C ATOM 0 H PHE A 107 -1.016 10.003 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.802 11.868 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.666 10.364 -6.876 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.688 11.765 -6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.074 13.626 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.876 10.955 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.187 15.102 -5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.013 12.430 -8.763 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.363 14.505 -7.484 1.00 0.00 H new ATOM 1705 N THR A 108 -4.288 8.983 -4.788 1.00 0.00 N ATOM 1706 CA THR A 108 -5.515 8.231 -4.558 1.00 0.00 C ATOM 1707 C THR A 108 -5.866 8.191 -3.075 1.00 0.00 C ATOM 1708 O THR A 108 -6.997 8.483 -2.686 1.00 0.00 O ATOM 1709 CB THR A 108 -5.397 6.789 -5.085 1.00 0.00 C ATOM 1710 OG1 THR A 108 -4.809 6.790 -6.390 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.762 6.119 -5.139 1.00 0.00 C ATOM 0 H THR A 108 -3.516 8.428 -5.158 1.00 0.00 H new ATOM 0 HA THR A 108 -6.307 8.745 -5.102 1.00 0.00 H new ATOM 0 HB THR A 108 -4.761 6.227 -4.401 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.832 6.779 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.653 5.101 -5.514 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.194 6.093 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.418 6.682 -5.803 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.888 7.830 -2.250 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.094 7.753 -0.808 1.00 0.00 C ATOM 1721 C LEU A 109 -5.459 9.119 -0.236 1.00 0.00 C ATOM 1722 O LEU A 109 -6.369 9.236 0.584 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.835 7.220 -0.122 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.325 5.865 -0.613 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.834 5.727 -0.347 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.095 4.733 0.052 1.00 0.00 C ATOM 0 H LEU A 109 -3.946 7.586 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.921 7.069 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.038 7.953 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.032 7.146 0.947 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.488 5.805 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.489 4.756 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.296 6.518 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.646 5.808 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.719 3.776 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.964 4.790 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.154 4.822 -0.191 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.744 10.150 -0.677 1.00 0.00 N ATOM 1739 CA GLN A 110 -4.994 11.508 -0.210 1.00 0.00 C ATOM 1740 C GLN A 110 -6.429 11.930 -0.507 1.00 0.00 C ATOM 1741 O GLN A 110 -6.965 12.836 0.131 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.016 12.484 -0.865 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.647 12.510 -0.205 1.00 0.00 C ATOM 1744 CD GLN A 110 -1.723 13.543 -0.818 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -1.576 13.615 -2.039 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.092 14.350 0.027 1.00 0.00 N ATOM 0 H GLN A 110 -3.988 10.070 -1.357 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.845 11.527 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.899 12.217 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.443 13.487 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.765 12.719 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.189 11.524 -0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.243 14.256 1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.456 15.064 -0.328 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.045 11.269 -1.481 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.419 11.575 -1.863 1.00 0.00 C ATOM 1757 C ASP A 111 -9.401 10.652 -1.149 1.00 0.00 C ATOM 1758 O ASP A 111 -10.481 11.076 -0.739 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.590 11.448 -3.378 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.714 12.315 -3.909 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.689 13.539 -3.659 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.619 11.771 -4.575 1.00 0.00 O ATOM 0 H ASP A 111 -6.615 10.518 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.632 12.602 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.658 11.725 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.787 10.407 -3.632 1.00 0.00 H new ATOM 1767 N SER A 112 -9.017 9.387 -1.004 1.00 0.00 N ATOM 1768 CA SER A 112 -9.866 8.403 -0.343 1.00 0.00 C ATOM 1769 C SER A 112 -10.091 8.773 1.119 1.00 0.00 C ATOM 1770 O SER A 112 -11.036 8.301 1.752 1.00 0.00 O ATOM 1771 CB SER A 112 -9.237 7.011 -0.438 1.00 0.00 C ATOM 1772 OG SER A 112 -8.250 6.829 0.563 1.00 0.00 O ATOM 0 H SER A 112 -8.125 9.020 -1.335 1.00 0.00 H new ATOM 0 HA SER A 112 -10.831 8.394 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.011 6.251 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.790 6.877 -1.423 1.00 0.00 H new ATOM 0 HG SER A 112 -7.654 7.607 0.581 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.217 9.622 1.649 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.319 10.056 3.037 1.00 0.00 C ATOM 1780 C ARG A 113 -10.258 11.252 3.166 1.00 0.00 C ATOM 1781 O ARG A 113 -10.875 11.462 4.210 1.00 0.00 O ATOM 1782 CB ARG A 113 -7.936 10.419 3.583 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.391 11.729 3.039 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.958 11.965 3.490 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.895 12.664 4.771 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.975 12.051 5.947 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -6.119 10.734 6.003 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -5.910 12.755 7.069 1.00 0.00 N ATOM 0 H ARG A 113 -8.430 10.023 1.138 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.728 9.231 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -7.989 10.481 4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.238 9.617 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.434 11.718 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.020 12.554 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.442 11.008 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.431 12.547 2.734 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.784 13.678 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.169 10.189 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.180 10.266 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.799 13.768 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.972 12.283 7.971 1.00 0.00 H new