USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 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 31 ASN : amide:sc= -0.0787 K(o=-0.82,f=-7.8!) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.745 K(o=-0.82,f=-11!) USER MOD Single : A 13 SER OG : rot 127:sc= -0.453 USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 1.19 (180deg=0.312) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.0202 (180deg=-0.139) USER MOD Single : A 26 SER OG : rot -6:sc= 0.766 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -174:sc= -1.66 (180deg=-1.76) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0229) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 70:sc= 0.175 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 132:sc= -0.829 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -60:sc= 0.656 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0836 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.17) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 1.25 (180deg=1.07) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -36:sc= 1.08 USER MOD Single : A 71 ASN : amide:sc= -0.614 K(o=-0.61,f=-7.5!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 5:sc= 0.773 USER MOD Single : A 85 LYS NZ :NH3+ -108:sc= 0.454 (180deg=-1.24!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc=-0.00334 (180deg=-0.102) USER MOD Single : A 91 SER OG : rot 180:sc= 0.00508 USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0.826 (180deg=0.823) USER MOD Single : A 100 CYS SG : rot 87:sc= 0.45 USER MOD Single : A 101 GLN : amide:sc= -0.0661 X(o=-0.066,f=-0.18) USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= -0.0246 (180deg=-0.277) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.514 0.570 0.880 1.00 0.00 N ATOM 78 CA ILE A 7 13.927 -0.803 1.185 1.00 0.00 C ATOM 79 C ILE A 7 13.588 -1.757 0.023 1.00 0.00 C ATOM 80 O ILE A 7 12.436 -1.857 -0.398 1.00 0.00 O ATOM 81 CB ILE A 7 13.281 -1.319 2.506 1.00 0.00 C ATOM 82 CG1 ILE A 7 13.671 -2.786 2.770 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.762 -1.153 2.472 1.00 0.00 C ATOM 84 CD1 ILE A 7 13.092 -3.355 4.050 1.00 0.00 C ATOM 0 HA ILE A 7 15.008 -0.787 1.320 1.00 0.00 H new ATOM 0 HB ILE A 7 13.665 -0.716 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.339 -3.397 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.758 -2.861 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.335 -1.520 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.514 -0.099 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.352 -1.721 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.412 -4.391 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.444 -2.770 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.004 -3.314 4.007 1.00 0.00 H new ATOM 96 N ALA A 8 14.606 -2.466 -0.481 1.00 0.00 N ATOM 97 CA ALA A 8 14.443 -3.388 -1.623 1.00 0.00 C ATOM 98 C ALA A 8 13.305 -4.402 -1.406 1.00 0.00 C ATOM 99 O ALA A 8 12.622 -4.798 -2.354 1.00 0.00 O ATOM 100 CB ALA A 8 15.754 -4.122 -1.890 1.00 0.00 C ATOM 0 H ALA A 8 15.558 -2.421 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 8 14.173 -2.784 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.626 -4.800 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.536 -3.398 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.038 -4.692 -1.006 1.00 0.00 H new ATOM 106 N GLY A 9 13.110 -4.816 -0.154 1.00 0.00 N ATOM 107 CA GLY A 9 12.041 -5.754 0.175 1.00 0.00 C ATOM 108 C GLY A 9 10.656 -5.221 -0.172 1.00 0.00 C ATOM 109 O GLY A 9 9.786 -5.975 -0.616 1.00 0.00 O ATOM 0 H GLY A 9 13.674 -4.519 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.209 -6.690 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.080 -5.983 1.240 1.00 0.00 H new ATOM 113 N LEU A 10 10.449 -3.916 0.023 1.00 0.00 N ATOM 114 CA LEU A 10 9.161 -3.285 -0.280 1.00 0.00 C ATOM 115 C LEU A 10 8.826 -3.434 -1.772 1.00 0.00 C ATOM 116 O LEU A 10 7.687 -3.742 -2.140 1.00 0.00 O ATOM 117 CB LEU A 10 9.181 -1.798 0.114 1.00 0.00 C ATOM 118 CG LEU A 10 7.842 -1.054 -0.048 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.762 -1.676 0.837 1.00 0.00 C ATOM 120 CD2 LEU A 10 8.007 0.431 0.263 1.00 0.00 C ATOM 0 H LEU A 10 11.155 -3.277 0.388 1.00 0.00 H new ATOM 0 HA LEU A 10 8.389 -3.788 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.498 -1.719 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.935 -1.290 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 10 7.525 -1.151 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.826 -1.133 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.619 -2.720 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.070 -1.619 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.049 0.937 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.354 0.551 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.736 0.867 -0.420 1.00 0.00 H new ATOM 132 N GLU A 11 9.833 -3.226 -2.625 1.00 0.00 N ATOM 133 CA GLU A 11 9.684 -3.439 -4.067 1.00 0.00 C ATOM 134 C GLU A 11 9.242 -4.876 -4.371 1.00 0.00 C ATOM 135 O GLU A 11 8.348 -5.097 -5.188 1.00 0.00 O ATOM 136 CB GLU A 11 11.001 -3.144 -4.803 1.00 0.00 C ATOM 137 CG GLU A 11 10.942 -3.450 -6.302 1.00 0.00 C ATOM 138 CD GLU A 11 12.287 -3.307 -6.997 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.204 -4.101 -6.695 1.00 0.00 O ATOM 140 OE2 GLU A 11 12.428 -2.416 -7.860 1.00 0.00 O ATOM 0 H GLU A 11 10.761 -2.910 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 11 8.915 -2.751 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.259 -2.094 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.800 -3.731 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.573 -4.466 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.223 -2.781 -6.775 1.00 0.00 H new ATOM 147 N GLU A 12 9.875 -5.852 -3.711 1.00 0.00 N ATOM 148 CA GLU A 12 9.526 -7.266 -3.909 1.00 0.00 C ATOM 149 C GLU A 12 8.069 -7.533 -3.508 1.00 0.00 C ATOM 150 O GLU A 12 7.313 -8.134 -4.265 1.00 0.00 O ATOM 151 CB GLU A 12 10.466 -8.189 -3.116 1.00 0.00 C ATOM 152 CG GLU A 12 11.945 -7.918 -3.362 1.00 0.00 C ATOM 153 CD GLU A 12 12.855 -9.029 -2.854 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.764 -9.388 -1.664 1.00 0.00 O ATOM 155 OE2 GLU A 12 13.674 -9.547 -3.650 1.00 0.00 O ATOM 0 H GLU A 12 10.626 -5.692 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 12 9.643 -7.485 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.258 -8.077 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.248 -9.225 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.109 -7.784 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.221 -6.982 -2.877 1.00 0.00 H new ATOM 162 N SER A 13 7.682 -7.074 -2.318 1.00 0.00 N ATOM 163 CA SER A 13 6.303 -7.239 -1.826 1.00 0.00 C ATOM 164 C SER A 13 5.286 -6.616 -2.795 1.00 0.00 C ATOM 165 O SER A 13 4.264 -7.228 -3.128 1.00 0.00 O ATOM 166 CB SER A 13 6.157 -6.612 -0.433 1.00 0.00 C ATOM 167 OG SER A 13 7.069 -7.191 0.485 1.00 0.00 O ATOM 0 H SER A 13 8.300 -6.584 -1.672 1.00 0.00 H new ATOM 0 HA SER A 13 6.097 -8.307 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.331 -5.538 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.137 -6.750 -0.074 1.00 0.00 H new ATOM 0 HG SER A 13 7.593 -6.484 0.916 1.00 0.00 H new ATOM 173 N PHE A 14 5.579 -5.398 -3.248 1.00 0.00 N ATOM 174 CA PHE A 14 4.758 -4.720 -4.257 1.00 0.00 C ATOM 175 C PHE A 14 4.687 -5.561 -5.545 1.00 0.00 C ATOM 176 O PHE A 14 3.617 -5.746 -6.128 1.00 0.00 O ATOM 177 CB PHE A 14 5.352 -3.331 -4.553 1.00 0.00 C ATOM 178 CG PHE A 14 4.542 -2.496 -5.517 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.460 -1.751 -5.073 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.867 -2.450 -6.868 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.721 -0.984 -5.951 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.129 -1.682 -7.747 1.00 0.00 C ATOM 183 CZ PHE A 14 3.055 -0.948 -7.288 1.00 0.00 C ATOM 0 H PHE A 14 6.383 -4.856 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 14 3.745 -4.601 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.452 -2.785 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.356 -3.458 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.192 -1.771 -4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.707 -3.022 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.880 -0.411 -5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.393 -1.656 -8.794 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.477 -0.347 -7.974 1.00 0.00 H new ATOM 193 N ARG A 15 5.844 -6.076 -5.957 1.00 0.00 N ATOM 194 CA ARG A 15 5.961 -6.946 -7.134 1.00 0.00 C ATOM 195 C ARG A 15 5.036 -8.174 -7.014 1.00 0.00 C ATOM 196 O ARG A 15 4.358 -8.552 -7.969 1.00 0.00 O ATOM 197 CB ARG A 15 7.426 -7.400 -7.271 1.00 0.00 C ATOM 198 CG ARG A 15 7.784 -8.090 -8.588 1.00 0.00 C ATOM 199 CD ARG A 15 7.718 -7.133 -9.777 1.00 0.00 C ATOM 200 NE ARG A 15 8.767 -7.406 -10.764 1.00 0.00 N ATOM 201 CZ ARG A 15 8.594 -7.384 -12.060 1.00 0.00 C ATOM 202 NH1 ARG A 15 7.419 -7.210 -12.570 1.00 0.00 N ATOM 203 NH2 ARG A 15 9.602 -7.570 -12.847 1.00 0.00 N ATOM 0 H ARG A 15 6.732 -5.903 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 15 5.657 -6.388 -8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.070 -6.529 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.655 -8.081 -6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.788 -8.509 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.102 -8.924 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.742 -7.215 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.813 -6.107 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 15 9.699 -7.629 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.611 -7.087 -11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.300 -7.195 -13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.530 -7.734 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.469 -7.553 -13.858 1.00 0.00 H new ATOM 217 N LYS A 16 5.012 -8.776 -5.822 1.00 0.00 N ATOM 218 CA LYS A 16 4.204 -9.978 -5.548 1.00 0.00 C ATOM 219 C LYS A 16 2.703 -9.735 -5.798 1.00 0.00 C ATOM 220 O LYS A 16 2.061 -10.466 -6.558 1.00 0.00 O ATOM 221 CB LYS A 16 4.424 -10.434 -4.095 1.00 0.00 C ATOM 222 CG LYS A 16 5.885 -10.738 -3.766 1.00 0.00 C ATOM 223 CD LYS A 16 6.104 -10.962 -2.269 1.00 0.00 C ATOM 224 CE LYS A 16 7.588 -11.093 -1.927 1.00 0.00 C ATOM 225 NZ LYS A 16 7.801 -11.429 -0.494 1.00 0.00 N ATOM 0 H LYS A 16 5.549 -8.449 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 16 4.530 -10.758 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.062 -9.658 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.825 -11.325 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.203 -11.625 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.511 -9.912 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.674 -10.131 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.577 -11.863 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.037 -11.865 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.098 -10.158 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.594 -10.869 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.939 -11.211 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.019 -12.442 -0.404 1.00 0.00 H new ATOM 239 N PHE A 17 2.145 -8.709 -5.157 1.00 0.00 N ATOM 240 CA PHE A 17 0.721 -8.379 -5.324 1.00 0.00 C ATOM 241 C PHE A 17 0.411 -7.801 -6.723 1.00 0.00 C ATOM 242 O PHE A 17 -0.665 -8.042 -7.273 1.00 0.00 O ATOM 243 CB PHE A 17 0.262 -7.400 -4.231 1.00 0.00 C ATOM 244 CG PHE A 17 -0.144 -8.064 -2.934 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.791 -8.356 -1.952 1.00 0.00 C ATOM 246 CD2 PHE A 17 -1.476 -8.385 -2.699 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.407 -8.950 -0.762 1.00 0.00 C ATOM 248 CE2 PHE A 17 -1.863 -8.981 -1.514 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.924 -9.262 -0.543 1.00 0.00 C ATOM 0 H PHE A 17 2.649 -8.092 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 17 0.165 -9.312 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.068 -6.695 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.580 -6.820 -4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.831 -8.117 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.218 -8.166 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.145 -9.170 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.901 -9.227 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.226 -9.724 0.385 1.00 0.00 H new ATOM 259 N ALA A 18 1.356 -7.058 -7.299 1.00 0.00 N ATOM 260 CA ALA A 18 1.151 -6.420 -8.614 1.00 0.00 C ATOM 261 C ALA A 18 1.058 -7.449 -9.758 1.00 0.00 C ATOM 262 O ALA A 18 0.625 -7.122 -10.862 1.00 0.00 O ATOM 263 CB ALA A 18 2.264 -5.416 -8.890 1.00 0.00 C ATOM 0 H ALA A 18 2.270 -6.879 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 18 0.195 -5.898 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.102 -4.952 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.261 -4.648 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.226 -5.929 -8.888 1.00 0.00 H new ATOM 269 N ILE A 19 1.487 -8.682 -9.497 1.00 0.00 N ATOM 270 CA ILE A 19 1.367 -9.776 -10.477 1.00 0.00 C ATOM 271 C ILE A 19 0.394 -10.861 -9.981 1.00 0.00 C ATOM 272 O ILE A 19 0.412 -12.001 -10.445 1.00 0.00 O ATOM 273 CB ILE A 19 2.747 -10.416 -10.767 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.314 -11.061 -9.492 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.718 -9.372 -11.329 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.654 -11.735 -9.681 1.00 0.00 C ATOM 0 H ILE A 19 1.922 -8.956 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 19 0.975 -9.344 -11.398 1.00 0.00 H new ATOM 0 HB ILE A 19 2.618 -11.196 -11.518 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.411 -10.295 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.599 -11.796 -9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.682 -9.841 -11.526 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.316 -8.964 -12.256 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.847 -8.568 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.982 -12.164 -8.734 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.562 -12.526 -10.425 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.386 -11.002 -10.020 1.00 0.00 H new ATOM 288 N HIS A 20 -0.461 -10.487 -9.036 1.00 0.00 N ATOM 289 CA HIS A 20 -1.425 -11.416 -8.427 1.00 0.00 C ATOM 290 C HIS A 20 -2.519 -11.876 -9.418 1.00 0.00 C ATOM 291 O HIS A 20 -3.208 -12.870 -9.174 1.00 0.00 O ATOM 292 CB HIS A 20 -2.066 -10.751 -7.196 1.00 0.00 C ATOM 293 CG HIS A 20 -2.901 -11.671 -6.354 1.00 0.00 C ATOM 294 ND1 HIS A 20 -2.368 -12.467 -5.366 1.00 0.00 N ATOM 295 CD2 HIS A 20 -4.234 -11.919 -6.350 1.00 0.00 C ATOM 296 CE1 HIS A 20 -3.329 -13.159 -4.793 1.00 0.00 C ATOM 297 NE2 HIS A 20 -4.472 -12.848 -5.369 1.00 0.00 N ATOM 0 H HIS A 20 -0.511 -9.537 -8.667 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.878 -12.310 -8.129 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.276 -10.328 -6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.688 -9.921 -7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.971 -11.469 -6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.202 -13.864 -3.985 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.384 -13.234 -5.126 1.00 0.00 H new ATOM 306 N GLY A 21 -2.687 -11.153 -10.524 1.00 0.00 N ATOM 307 CA GLY A 21 -3.711 -11.511 -11.510 1.00 0.00 C ATOM 308 C GLY A 21 -3.154 -12.244 -12.731 1.00 0.00 C ATOM 309 O GLY A 21 -3.739 -13.227 -13.199 1.00 0.00 O ATOM 0 H GLY A 21 -2.137 -10.327 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.462 -12.139 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.218 -10.605 -11.841 1.00 0.00 H new ATOM 313 N ASP A 22 -2.021 -11.771 -13.244 1.00 0.00 N ATOM 314 CA ASP A 22 -1.396 -12.338 -14.444 1.00 0.00 C ATOM 315 C ASP A 22 -0.016 -12.936 -14.114 1.00 0.00 C ATOM 316 O ASP A 22 0.611 -12.558 -13.125 1.00 0.00 O ATOM 317 CB ASP A 22 -1.247 -11.248 -15.512 1.00 0.00 C ATOM 318 CG ASP A 22 -2.570 -10.601 -15.868 1.00 0.00 C ATOM 319 OD1 ASP A 22 -3.036 -9.729 -15.099 1.00 0.00 O ATOM 320 OD2 ASP A 22 -3.158 -10.968 -16.907 1.00 0.00 O ATOM 0 H ASP A 22 -1.508 -10.986 -12.843 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.035 -13.136 -14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.557 -10.484 -15.153 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.805 -11.681 -16.409 1.00 0.00 H new ATOM 325 N PRO A 23 0.479 -13.879 -14.940 1.00 0.00 N ATOM 326 CA PRO A 23 1.776 -14.536 -14.698 1.00 0.00 C ATOM 327 C PRO A 23 2.978 -13.599 -14.906 1.00 0.00 C ATOM 328 O PRO A 23 4.106 -13.927 -14.535 1.00 0.00 O ATOM 329 CB PRO A 23 1.785 -15.693 -15.709 1.00 0.00 C ATOM 330 CG PRO A 23 0.862 -15.260 -16.800 1.00 0.00 C ATOM 331 CD PRO A 23 -0.187 -14.389 -16.152 1.00 0.00 C ATOM 0 HA PRO A 23 1.876 -14.862 -13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.789 -15.876 -16.091 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.445 -16.621 -15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.402 -14.709 -17.570 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.405 -16.122 -17.286 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.495 -13.577 -16.811 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.084 -14.958 -15.906 1.00 0.00 H new ATOM 339 N LYS A 24 2.735 -12.452 -15.531 1.00 0.00 N ATOM 340 CA LYS A 24 3.746 -11.394 -15.648 1.00 0.00 C ATOM 341 C LYS A 24 3.140 -10.032 -15.278 1.00 0.00 C ATOM 342 O LYS A 24 3.782 -9.208 -14.622 1.00 0.00 O ATOM 343 CB LYS A 24 4.315 -11.346 -17.075 1.00 0.00 C ATOM 344 CG LYS A 24 5.144 -12.574 -17.452 1.00 0.00 C ATOM 345 CD LYS A 24 5.603 -12.532 -18.910 1.00 0.00 C ATOM 346 CE LYS A 24 6.527 -13.699 -19.248 1.00 0.00 C ATOM 347 NZ LYS A 24 5.892 -15.017 -18.980 1.00 0.00 N ATOM 0 H LYS A 24 1.842 -12.225 -15.969 1.00 0.00 H new ATOM 0 HA LYS A 24 4.558 -11.619 -14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.491 -11.245 -17.781 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.935 -10.455 -17.179 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.015 -12.637 -16.800 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.554 -13.475 -17.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.733 -12.556 -19.566 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.120 -11.592 -19.101 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.811 -13.642 -20.299 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.444 -13.614 -18.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.491 -15.775 -19.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.783 -15.148 -17.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.957 -15.051 -19.435 1.00 0.00 H new ATOM 361 N ALA A 25 1.891 -9.829 -15.698 1.00 0.00 N ATOM 362 CA ALA A 25 1.141 -8.585 -15.452 1.00 0.00 C ATOM 363 C ALA A 25 1.948 -7.314 -15.765 1.00 0.00 C ATOM 364 O ALA A 25 1.904 -6.791 -16.881 1.00 0.00 O ATOM 365 CB ALA A 25 0.634 -8.549 -14.012 1.00 0.00 C ATOM 0 H ALA A 25 1.362 -10.525 -16.223 1.00 0.00 H new ATOM 0 HA ALA A 25 0.296 -8.592 -16.141 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.082 -7.625 -13.844 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.022 -9.401 -13.836 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.481 -8.596 -13.327 1.00 0.00 H new ATOM 371 N SER A 26 2.695 -6.840 -14.770 1.00 0.00 N ATOM 372 CA SER A 26 3.453 -5.587 -14.873 1.00 0.00 C ATOM 373 C SER A 26 4.506 -5.508 -13.768 1.00 0.00 C ATOM 374 O SER A 26 5.698 -5.356 -14.029 1.00 0.00 O ATOM 375 CB SER A 26 2.519 -4.370 -14.763 1.00 0.00 C ATOM 376 OG SER A 26 1.573 -4.335 -15.819 1.00 0.00 O ATOM 0 H SER A 26 2.794 -7.310 -13.870 1.00 0.00 H new ATOM 0 HA SER A 26 3.943 -5.575 -15.847 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.996 -4.399 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.111 -3.455 -14.775 1.00 0.00 H new ATOM 0 HG SER A 26 1.769 -5.052 -16.457 1.00 0.00 H new ATOM 382 N GLY A 27 4.051 -5.613 -12.522 1.00 0.00 N ATOM 383 CA GLY A 27 4.949 -5.520 -11.380 1.00 0.00 C ATOM 384 C GLY A 27 5.078 -4.104 -10.830 1.00 0.00 C ATOM 385 O GLY A 27 5.238 -3.916 -9.629 1.00 0.00 O ATOM 0 H GLY A 27 3.071 -5.762 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.590 -6.178 -10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.935 -5.881 -11.672 1.00 0.00 H new ATOM 389 N GLN A 28 5.024 -3.109 -11.713 1.00 0.00 N ATOM 390 CA GLN A 28 5.075 -1.698 -11.300 1.00 0.00 C ATOM 391 C GLN A 28 3.663 -1.078 -11.275 1.00 0.00 C ATOM 392 O GLN A 28 3.492 0.099 -10.963 1.00 0.00 O ATOM 393 CB GLN A 28 5.992 -0.910 -12.254 1.00 0.00 C ATOM 394 CG GLN A 28 6.281 0.522 -11.803 1.00 0.00 C ATOM 395 CD GLN A 28 7.159 1.286 -12.782 1.00 0.00 C ATOM 396 OE1 GLN A 28 8.384 1.275 -12.683 1.00 0.00 O ATOM 397 NE2 GLN A 28 6.542 1.961 -13.729 1.00 0.00 N ATOM 0 H GLN A 28 4.945 -3.248 -12.720 1.00 0.00 H new ATOM 0 HA GLN A 28 5.481 -1.646 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.936 -1.445 -12.357 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.532 -0.882 -13.242 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.338 1.055 -11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.768 0.499 -10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.523 1.949 -13.783 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.082 2.496 -14.409 1.00 0.00 H new ATOM 406 N GLU A 29 2.652 -1.884 -11.598 1.00 0.00 N ATOM 407 CA GLU A 29 1.260 -1.415 -11.628 1.00 0.00 C ATOM 408 C GLU A 29 0.361 -2.285 -10.731 1.00 0.00 C ATOM 409 O GLU A 29 0.138 -3.461 -11.019 1.00 0.00 O ATOM 410 CB GLU A 29 0.728 -1.434 -13.072 1.00 0.00 C ATOM 411 CG GLU A 29 1.527 -0.563 -14.043 1.00 0.00 C ATOM 412 CD GLU A 29 0.982 -0.608 -15.468 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.372 -1.519 -16.233 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.161 0.259 -15.831 1.00 0.00 O ATOM 0 H GLU A 29 2.768 -2.867 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 29 1.240 -0.394 -11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.731 -2.462 -13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.309 -1.100 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.519 0.468 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.566 -0.891 -14.046 1.00 0.00 H new ATOM 421 N MET A 30 -0.141 -1.705 -9.641 1.00 0.00 N ATOM 422 CA MET A 30 -1.046 -2.413 -8.723 1.00 0.00 C ATOM 423 C MET A 30 -2.488 -1.890 -8.853 1.00 0.00 C ATOM 424 O MET A 30 -2.709 -0.698 -9.077 1.00 0.00 O ATOM 425 CB MET A 30 -0.548 -2.263 -7.277 1.00 0.00 C ATOM 426 CG MET A 30 -1.440 -2.938 -6.240 1.00 0.00 C ATOM 427 SD MET A 30 -0.742 -2.884 -4.576 1.00 0.00 S ATOM 428 CE MET A 30 0.730 -3.883 -4.793 1.00 0.00 C ATOM 0 H MET A 30 0.062 -0.743 -9.368 1.00 0.00 H new ATOM 0 HA MET A 30 -1.049 -3.470 -8.990 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.456 -2.681 -7.204 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.470 -1.202 -7.039 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.416 -2.453 -6.236 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.602 -3.977 -6.528 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.214 -4.033 -3.828 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.455 -4.850 -5.215 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.418 -3.375 -5.469 1.00 0.00 H new ATOM 438 N ASN A 31 -3.467 -2.782 -8.701 1.00 0.00 N ATOM 439 CA ASN A 31 -4.882 -2.422 -8.864 1.00 0.00 C ATOM 440 C ASN A 31 -5.641 -2.431 -7.522 1.00 0.00 C ATOM 441 O ASN A 31 -5.138 -2.913 -6.511 1.00 0.00 O ATOM 442 CB ASN A 31 -5.543 -3.365 -9.880 1.00 0.00 C ATOM 443 CG ASN A 31 -5.300 -4.833 -9.572 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.278 -5.395 -9.948 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.246 -5.472 -8.914 1.00 0.00 N ATOM 0 H ASN A 31 -3.309 -3.762 -8.465 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.930 -1.401 -9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.616 -3.176 -9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.163 -3.141 -10.877 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.140 -6.464 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.085 -4.974 -8.615 1.00 0.00 H new ATOM 452 N GLY A 32 -6.859 -1.896 -7.529 1.00 0.00 N ATOM 453 CA GLY A 32 -7.633 -1.746 -6.296 1.00 0.00 C ATOM 454 C GLY A 32 -7.924 -3.057 -5.565 1.00 0.00 C ATOM 455 O GLY A 32 -7.907 -3.100 -4.336 1.00 0.00 O ATOM 0 H GLY A 32 -7.331 -1.560 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.093 -1.081 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.579 -1.259 -6.533 1.00 0.00 H new ATOM 459 N LYS A 33 -8.181 -4.125 -6.316 1.00 0.00 N ATOM 460 CA LYS A 33 -8.589 -5.410 -5.724 1.00 0.00 C ATOM 461 C LYS A 33 -7.483 -6.022 -4.841 1.00 0.00 C ATOM 462 O LYS A 33 -7.719 -6.351 -3.675 1.00 0.00 O ATOM 463 CB LYS A 33 -8.993 -6.398 -6.831 1.00 0.00 C ATOM 464 CG LYS A 33 -9.678 -7.665 -6.322 1.00 0.00 C ATOM 465 CD LYS A 33 -10.980 -7.350 -5.582 1.00 0.00 C ATOM 466 CE LYS A 33 -11.732 -8.618 -5.178 1.00 0.00 C ATOM 467 NZ LYS A 33 -10.951 -9.464 -4.236 1.00 0.00 N ATOM 0 H LYS A 33 -8.116 -4.133 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.447 -5.215 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.662 -5.892 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.103 -6.681 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.889 -8.327 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.002 -8.201 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.757 -6.762 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.619 -6.737 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.680 -8.343 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.969 -9.197 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.534 -10.267 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.098 -9.819 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.674 -8.898 -3.409 1.00 0.00 H new ATOM 481 N ASN A 34 -6.278 -6.177 -5.394 1.00 0.00 N ATOM 482 CA ASN A 34 -5.158 -6.748 -4.633 1.00 0.00 C ATOM 483 C ASN A 34 -4.594 -5.748 -3.605 1.00 0.00 C ATOM 484 O ASN A 34 -4.075 -6.152 -2.566 1.00 0.00 O ATOM 485 CB ASN A 34 -4.055 -7.271 -5.575 1.00 0.00 C ATOM 486 CG ASN A 34 -3.678 -6.288 -6.672 1.00 0.00 C ATOM 487 OD1 ASN A 34 -3.760 -5.084 -6.505 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.264 -6.802 -7.811 1.00 0.00 N ATOM 0 H ASN A 34 -6.051 -5.919 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.546 -7.598 -4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.167 -7.505 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.390 -8.202 -6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.002 -6.188 -8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.205 -7.814 -7.922 1.00 0.00 H new ATOM 495 N TRP A 35 -4.703 -4.449 -3.894 1.00 0.00 N ATOM 496 CA TRP A 35 -4.382 -3.395 -2.911 1.00 0.00 C ATOM 497 C TRP A 35 -5.280 -3.504 -1.662 1.00 0.00 C ATOM 498 O TRP A 35 -4.805 -3.412 -0.524 1.00 0.00 O ATOM 499 CB TRP A 35 -4.530 -2.008 -3.571 1.00 0.00 C ATOM 500 CG TRP A 35 -4.676 -0.859 -2.607 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.796 -0.098 -2.414 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.686 -0.351 -1.699 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.562 0.856 -1.458 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.277 0.723 -1.002 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.361 -0.689 -1.406 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.594 1.451 -0.034 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.684 0.038 -0.446 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.300 1.097 0.228 1.00 0.00 C ATOM 0 H TRP A 35 -5.011 -4.095 -4.800 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.350 -3.527 -2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.659 -1.827 -4.201 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.400 -2.025 -4.228 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.730 -0.230 -2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.235 1.552 -1.138 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.875 -1.504 -1.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.069 2.266 0.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.661 -0.216 -0.212 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.742 1.647 0.971 1.00 0.00 H new ATOM 519 N ALA A 36 -6.579 -3.708 -1.882 1.00 0.00 N ATOM 520 CA ALA A 36 -7.528 -3.905 -0.781 1.00 0.00 C ATOM 521 C ALA A 36 -7.173 -5.153 0.039 1.00 0.00 C ATOM 522 O ALA A 36 -7.098 -5.103 1.272 1.00 0.00 O ATOM 523 CB ALA A 36 -8.952 -4.012 -1.320 1.00 0.00 C ATOM 0 H ALA A 36 -7.000 -3.741 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.465 -3.039 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.645 -4.158 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.210 -3.096 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.020 -4.859 -2.003 1.00 0.00 H new ATOM 529 N LYS A 37 -6.944 -6.273 -0.653 1.00 0.00 N ATOM 530 CA LYS A 37 -6.566 -7.524 0.015 1.00 0.00 C ATOM 531 C LYS A 37 -5.197 -7.401 0.705 1.00 0.00 C ATOM 532 O LYS A 37 -4.961 -8.027 1.737 1.00 0.00 O ATOM 533 CB LYS A 37 -6.556 -8.699 -0.976 1.00 0.00 C ATOM 534 CG LYS A 37 -6.262 -10.045 -0.313 1.00 0.00 C ATOM 535 CD LYS A 37 -6.428 -11.222 -1.275 1.00 0.00 C ATOM 536 CE LYS A 37 -6.222 -12.555 -0.559 1.00 0.00 C ATOM 537 NZ LYS A 37 -6.532 -13.720 -1.430 1.00 0.00 N ATOM 0 H LYS A 37 -7.013 -6.340 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.317 -7.721 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.523 -8.752 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.808 -8.510 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.244 -10.039 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.929 -10.180 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.423 -11.195 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.712 -11.131 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.189 -12.625 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.854 -12.589 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.377 -14.601 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.525 -13.670 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.911 -13.705 -2.264 1.00 0.00 H new ATOM 551 N LEU A 38 -4.307 -6.587 0.134 1.00 0.00 N ATOM 552 CA LEU A 38 -2.985 -6.330 0.725 1.00 0.00 C ATOM 553 C LEU A 38 -3.141 -5.756 2.140 1.00 0.00 C ATOM 554 O LEU A 38 -2.604 -6.297 3.108 1.00 0.00 O ATOM 555 CB LEU A 38 -2.187 -5.360 -0.176 1.00 0.00 C ATOM 556 CG LEU A 38 -0.676 -5.206 0.127 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.043 -4.566 -1.058 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.434 -4.377 1.391 1.00 0.00 C ATOM 0 H LEU A 38 -4.476 -6.091 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.435 -7.268 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.294 -5.691 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.649 -4.375 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.274 -6.205 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.104 -4.465 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.079 -5.194 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.382 -3.581 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.638 -4.291 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.861 -3.382 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.906 -4.866 2.243 1.00 0.00 H new ATOM 570 N CYS A 39 -3.897 -4.665 2.253 1.00 0.00 N ATOM 571 CA CYS A 39 -4.163 -4.039 3.553 1.00 0.00 C ATOM 572 C CYS A 39 -4.830 -5.030 4.521 1.00 0.00 C ATOM 573 O CYS A 39 -4.431 -5.149 5.681 1.00 0.00 O ATOM 574 CB CYS A 39 -5.059 -2.807 3.374 1.00 0.00 C ATOM 575 SG CYS A 39 -4.371 -1.550 2.268 1.00 0.00 S ATOM 0 H CYS A 39 -4.337 -4.194 1.462 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.208 -3.733 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.026 -3.127 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.240 -2.357 4.350 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.376 -1.996 1.047 1.00 0.00 H new ATOM 581 N LYS A 40 -5.838 -5.750 4.031 1.00 0.00 N ATOM 582 CA LYS A 40 -6.569 -6.724 4.850 1.00 0.00 C ATOM 583 C LYS A 40 -5.683 -7.916 5.263 1.00 0.00 C ATOM 584 O LYS A 40 -5.841 -8.462 6.355 1.00 0.00 O ATOM 585 CB LYS A 40 -7.814 -7.221 4.093 1.00 0.00 C ATOM 586 CG LYS A 40 -8.713 -8.144 4.916 1.00 0.00 C ATOM 587 CD LYS A 40 -9.984 -8.530 4.156 1.00 0.00 C ATOM 588 CE LYS A 40 -10.901 -9.411 5.000 1.00 0.00 C ATOM 589 NZ LYS A 40 -12.172 -9.730 4.298 1.00 0.00 N ATOM 0 H LYS A 40 -6.170 -5.679 3.069 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.878 -6.218 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.396 -6.359 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.494 -7.748 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.161 -9.046 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.984 -7.649 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.519 -7.628 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.715 -9.057 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.383 -10.337 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.123 -8.906 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.764 -10.330 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.680 -8.849 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.963 -10.235 3.413 1.00 0.00 H new ATOM 603 N ASP A 41 -4.742 -8.309 4.398 1.00 0.00 N ATOM 604 CA ASP A 41 -3.842 -9.427 4.700 1.00 0.00 C ATOM 605 C ASP A 41 -2.791 -8.997 5.736 1.00 0.00 C ATOM 606 O ASP A 41 -2.549 -9.692 6.725 1.00 0.00 O ATOM 607 CB ASP A 41 -3.168 -9.928 3.415 1.00 0.00 C ATOM 608 CG ASP A 41 -2.674 -11.361 3.538 1.00 0.00 C ATOM 609 OD1 ASP A 41 -1.602 -11.582 4.135 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.372 -12.278 3.047 1.00 0.00 O ATOM 0 H ASP A 41 -4.584 -7.873 3.489 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.425 -10.246 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.874 -9.860 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.328 -9.277 3.171 1.00 0.00 H new ATOM 615 N CYS A 42 -2.182 -7.830 5.508 1.00 0.00 N ATOM 616 CA CYS A 42 -1.267 -7.220 6.486 1.00 0.00 C ATOM 617 C CYS A 42 -2.041 -6.602 7.663 1.00 0.00 C ATOM 618 O CYS A 42 -1.444 -6.076 8.600 1.00 0.00 O ATOM 619 CB CYS A 42 -0.394 -6.147 5.820 1.00 0.00 C ATOM 620 SG CYS A 42 0.736 -6.786 4.559 1.00 0.00 S ATOM 0 H CYS A 42 -2.304 -7.285 4.654 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.625 -8.012 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.042 -5.398 5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.188 -5.639 6.589 1.00 0.00 H new ATOM 0 HG CYS A 42 0.647 -6.056 3.487 1.00 0.00 H new ATOM 626 N LYS A 43 -3.377 -6.671 7.593 1.00 0.00 N ATOM 627 CA LYS A 43 -4.263 -6.215 8.662 1.00 0.00 C ATOM 628 C LYS A 43 -4.007 -4.757 9.070 1.00 0.00 C ATOM 629 O LYS A 43 -4.155 -4.384 10.238 1.00 0.00 O ATOM 630 CB LYS A 43 -4.133 -7.181 9.834 1.00 0.00 C ATOM 631 CG LYS A 43 -4.327 -8.628 9.392 1.00 0.00 C ATOM 632 CD LYS A 43 -4.349 -9.586 10.562 1.00 0.00 C ATOM 633 CE LYS A 43 -3.019 -9.611 11.310 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.994 -10.662 12.360 1.00 0.00 N ATOM 0 H LYS A 43 -3.873 -7.048 6.785 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.291 -6.220 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.150 -7.068 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.871 -6.931 10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.261 -8.714 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.524 -8.908 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.145 -9.300 11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.582 -10.589 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.208 -9.785 10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.841 -8.637 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.074 -10.646 12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.752 -10.482 13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.139 -11.594 11.922 1.00 0.00 H new ATOM 648 N VAL A 44 -3.665 -3.934 8.082 1.00 0.00 N ATOM 649 CA VAL A 44 -3.503 -2.490 8.282 1.00 0.00 C ATOM 650 C VAL A 44 -4.860 -1.823 8.572 1.00 0.00 C ATOM 651 O VAL A 44 -4.935 -0.793 9.244 1.00 0.00 O ATOM 652 CB VAL A 44 -2.862 -1.826 7.037 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.689 -0.321 7.241 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.526 -2.491 6.695 1.00 0.00 C ATOM 0 H VAL A 44 -3.493 -4.243 7.125 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.844 -2.350 9.139 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.538 -1.970 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.237 0.117 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.663 0.137 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.044 -0.142 8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.094 -2.009 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.843 -2.390 7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.689 -3.548 6.485 1.00 0.00 H new ATOM 664 N ALA A 45 -5.932 -2.421 8.052 1.00 0.00 N ATOM 665 CA ALA A 45 -7.286 -1.914 8.285 1.00 0.00 C ATOM 666 C ALA A 45 -7.685 -2.023 9.767 1.00 0.00 C ATOM 667 O ALA A 45 -7.657 -3.104 10.358 1.00 0.00 O ATOM 668 CB ALA A 45 -8.290 -2.646 7.403 1.00 0.00 C ATOM 0 H ALA A 45 -5.890 -3.256 7.467 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.293 -0.857 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.291 -2.256 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.032 -2.495 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.267 -3.711 7.633 1.00 0.00 H new ATOM 674 N ASP A 46 -8.068 -0.892 10.348 1.00 0.00 N ATOM 675 CA ASP A 46 -8.408 -0.804 11.771 1.00 0.00 C ATOM 676 C ASP A 46 -9.791 -1.418 12.072 1.00 0.00 C ATOM 677 O ASP A 46 -10.081 -1.805 13.209 1.00 0.00 O ATOM 678 CB ASP A 46 -8.364 0.672 12.191 1.00 0.00 C ATOM 679 CG ASP A 46 -8.741 0.896 13.645 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.932 0.559 14.538 1.00 0.00 O ATOM 681 OD2 ASP A 46 -9.836 1.432 13.899 1.00 0.00 O ATOM 0 H ASP A 46 -8.153 -0.007 9.849 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.681 -1.379 12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.360 1.061 12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.041 1.243 11.556 1.00 0.00 H new ATOM 686 N GLY A 47 -10.648 -1.489 11.055 1.00 0.00 N ATOM 687 CA GLY A 47 -11.991 -2.038 11.232 1.00 0.00 C ATOM 688 C GLY A 47 -12.983 -1.014 11.782 1.00 0.00 C ATOM 689 O GLY A 47 -14.097 -0.879 11.270 1.00 0.00 O ATOM 0 H GLY A 47 -10.439 -1.176 10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.355 -2.411 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.943 -2.891 11.909 1.00 0.00 H new ATOM 693 N LYS A 48 -12.581 -0.302 12.834 1.00 0.00 N ATOM 694 CA LYS A 48 -13.404 0.762 13.422 1.00 0.00 C ATOM 695 C LYS A 48 -13.332 2.040 12.570 1.00 0.00 C ATOM 696 O LYS A 48 -14.350 2.558 12.096 1.00 0.00 O ATOM 697 CB LYS A 48 -12.923 1.071 14.848 1.00 0.00 C ATOM 698 CG LYS A 48 -12.852 -0.148 15.765 1.00 0.00 C ATOM 699 CD LYS A 48 -12.194 0.195 17.102 1.00 0.00 C ATOM 700 CE LYS A 48 -10.758 0.685 16.919 1.00 0.00 C ATOM 701 NZ LYS A 48 -10.126 1.073 18.208 1.00 0.00 N ATOM 0 H LYS A 48 -11.685 -0.442 13.301 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.437 0.417 13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.935 1.529 14.795 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.592 1.807 15.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.857 -0.532 15.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.289 -0.942 15.274 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.778 0.963 17.608 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.199 -0.685 17.746 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.166 -0.100 16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.751 1.539 16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.154 1.398 18.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.675 1.840 18.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.107 0.252 18.846 1.00 0.00 H new ATOM 715 N SER A 49 -12.115 2.543 12.385 1.00 0.00 N ATOM 716 CA SER A 49 -11.871 3.751 11.585 1.00 0.00 C ATOM 717 C SER A 49 -11.446 3.400 10.150 1.00 0.00 C ATOM 718 O SER A 49 -12.213 3.576 9.200 1.00 0.00 O ATOM 719 CB SER A 49 -10.797 4.623 12.254 1.00 0.00 C ATOM 720 OG SER A 49 -9.616 3.872 12.520 1.00 0.00 O ATOM 0 H SER A 49 -11.270 2.131 12.781 1.00 0.00 H new ATOM 0 HA SER A 49 -12.806 4.309 11.531 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.556 5.468 11.608 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.187 5.035 13.185 1.00 0.00 H new ATOM 0 HG SER A 49 -9.829 3.131 13.125 1.00 0.00 H new ATOM 726 N VAL A 50 -10.221 2.901 9.992 1.00 0.00 N ATOM 727 CA VAL A 50 -9.704 2.527 8.671 1.00 0.00 C ATOM 728 C VAL A 50 -10.297 1.194 8.192 1.00 0.00 C ATOM 729 O VAL A 50 -10.044 0.138 8.777 1.00 0.00 O ATOM 730 CB VAL A 50 -8.158 2.421 8.680 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.622 2.091 7.286 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.536 3.708 9.212 1.00 0.00 C ATOM 0 H VAL A 50 -9.567 2.745 10.759 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.004 3.317 7.982 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.878 1.605 9.346 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.535 2.023 7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.035 1.139 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.914 2.876 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.450 3.615 9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.829 4.544 8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.884 3.887 10.229 1.00 0.00 H new ATOM 742 N THR A 51 -11.083 1.251 7.123 1.00 0.00 N ATOM 743 CA THR A 51 -11.724 0.058 6.546 1.00 0.00 C ATOM 744 C THR A 51 -11.706 0.123 5.010 1.00 0.00 C ATOM 745 O THR A 51 -11.128 1.047 4.439 1.00 0.00 O ATOM 746 CB THR A 51 -13.186 -0.090 7.044 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.807 -1.234 6.436 1.00 0.00 O ATOM 748 CG2 THR A 51 -14.000 1.163 6.734 1.00 0.00 C ATOM 0 H THR A 51 -11.298 2.117 6.628 1.00 0.00 H new ATOM 0 HA THR A 51 -11.155 -0.812 6.875 1.00 0.00 H new ATOM 0 HB THR A 51 -13.159 -0.227 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.728 -1.317 6.760 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.021 1.032 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.548 2.022 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.014 1.331 5.657 1.00 0.00 H new ATOM 756 N GLY A 52 -12.344 -0.849 4.350 1.00 0.00 N ATOM 757 CA GLY A 52 -12.351 -0.914 2.885 1.00 0.00 C ATOM 758 C GLY A 52 -12.627 0.430 2.209 1.00 0.00 C ATOM 759 O GLY A 52 -11.942 0.807 1.258 1.00 0.00 O ATOM 0 H GLY A 52 -12.861 -1.600 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.387 -1.291 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.106 -1.632 2.566 1.00 0.00 H new ATOM 763 N THR A 53 -13.634 1.150 2.701 1.00 0.00 N ATOM 764 CA THR A 53 -13.939 2.498 2.199 1.00 0.00 C ATOM 765 C THR A 53 -12.702 3.409 2.253 1.00 0.00 C ATOM 766 O THR A 53 -12.274 3.951 1.236 1.00 0.00 O ATOM 767 CB THR A 53 -15.079 3.164 3.011 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.251 2.338 2.988 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.422 4.545 2.461 1.00 0.00 C ATOM 0 H THR A 53 -14.254 0.828 3.445 1.00 0.00 H new ATOM 0 HA THR A 53 -14.257 2.377 1.164 1.00 0.00 H new ATOM 0 HB THR A 53 -14.730 3.278 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.964 2.767 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.225 4.983 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.542 5.186 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.745 4.454 1.424 1.00 0.00 H new ATOM 777 N ASP A 54 -12.120 3.554 3.445 1.00 0.00 N ATOM 778 CA ASP A 54 -10.954 4.425 3.648 1.00 0.00 C ATOM 779 C ASP A 54 -9.781 4.001 2.738 1.00 0.00 C ATOM 780 O ASP A 54 -9.128 4.836 2.110 1.00 0.00 O ATOM 781 CB ASP A 54 -10.531 4.386 5.125 1.00 0.00 C ATOM 782 CG ASP A 54 -9.603 5.529 5.502 1.00 0.00 C ATOM 783 OD1 ASP A 54 -8.374 5.372 5.394 1.00 0.00 O ATOM 784 OD2 ASP A 54 -10.108 6.594 5.923 1.00 0.00 O ATOM 0 H ASP A 54 -12.437 3.078 4.290 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.230 5.445 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.420 4.424 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.035 3.438 5.331 1.00 0.00 H new ATOM 789 N VAL A 55 -9.548 2.690 2.653 1.00 0.00 N ATOM 790 CA VAL A 55 -8.487 2.129 1.802 1.00 0.00 C ATOM 791 C VAL A 55 -8.726 2.456 0.314 1.00 0.00 C ATOM 792 O VAL A 55 -7.782 2.559 -0.480 1.00 0.00 O ATOM 793 CB VAL A 55 -8.388 0.590 1.990 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.300 -0.013 1.102 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.139 0.241 3.459 1.00 0.00 C ATOM 0 H VAL A 55 -10.082 1.989 3.166 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.547 2.588 2.109 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.341 0.157 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.258 -1.091 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.528 0.193 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.336 0.428 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.073 -0.841 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.205 0.697 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.961 0.618 4.067 1.00 0.00 H new ATOM 805 N ASP A 56 -9.993 2.650 -0.053 1.00 0.00 N ATOM 806 CA ASP A 56 -10.360 2.967 -1.436 1.00 0.00 C ATOM 807 C ASP A 56 -10.188 4.470 -1.693 1.00 0.00 C ATOM 808 O ASP A 56 -9.721 4.894 -2.754 1.00 0.00 O ATOM 809 CB ASP A 56 -11.807 2.533 -1.696 1.00 0.00 C ATOM 810 CG ASP A 56 -12.266 2.825 -3.113 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.893 2.068 -4.031 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.009 3.807 -3.310 1.00 0.00 O ATOM 0 H ASP A 56 -10.784 2.593 0.588 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.705 2.426 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.901 1.465 -1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.466 3.044 -0.994 1.00 0.00 H new ATOM 817 N ILE A 57 -10.559 5.265 -0.693 1.00 0.00 N ATOM 818 CA ILE A 57 -10.365 6.716 -0.718 1.00 0.00 C ATOM 819 C ILE A 57 -8.888 7.059 -0.952 1.00 0.00 C ATOM 820 O ILE A 57 -8.558 7.898 -1.792 1.00 0.00 O ATOM 821 CB ILE A 57 -10.834 7.344 0.619 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.287 6.935 0.905 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.682 8.866 0.589 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.314 7.621 0.029 1.00 0.00 C ATOM 0 H ILE A 57 -11.003 4.923 0.159 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.959 7.124 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.204 6.969 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.380 5.857 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.514 7.152 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.018 9.284 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.635 9.124 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.285 9.276 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.312 7.274 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.253 8.700 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.117 7.384 -1.016 1.00 0.00 H new ATOM 836 N VAL A 58 -8.007 6.385 -0.210 1.00 0.00 N ATOM 837 CA VAL A 58 -6.559 6.548 -0.367 1.00 0.00 C ATOM 838 C VAL A 58 -6.100 6.139 -1.779 1.00 0.00 C ATOM 839 O VAL A 58 -5.352 6.867 -2.432 1.00 0.00 O ATOM 840 CB VAL A 58 -5.787 5.711 0.683 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.282 5.840 0.479 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.178 6.128 2.100 1.00 0.00 C ATOM 0 H VAL A 58 -8.274 5.715 0.512 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.338 7.605 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.059 4.664 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.761 5.244 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.018 5.484 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.989 6.885 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.624 5.528 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.942 7.182 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.247 5.972 2.243 1.00 0.00 H new ATOM 852 N PHE A 59 -6.564 4.972 -2.240 1.00 0.00 N ATOM 853 CA PHE A 59 -6.238 4.465 -3.585 1.00 0.00 C ATOM 854 C PHE A 59 -6.590 5.491 -4.679 1.00 0.00 C ATOM 855 O PHE A 59 -5.813 5.723 -5.607 1.00 0.00 O ATOM 856 CB PHE A 59 -6.981 3.142 -3.838 1.00 0.00 C ATOM 857 CG PHE A 59 -6.736 2.538 -5.201 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.546 1.879 -5.481 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.698 2.625 -6.198 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.323 1.322 -6.726 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.479 2.067 -7.444 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.291 1.415 -7.708 1.00 0.00 C ATOM 0 H PHE A 59 -7.171 4.355 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.163 4.292 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.684 2.421 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.051 3.311 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.786 1.801 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.629 3.135 -5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.392 0.814 -6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.237 2.141 -8.210 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.118 0.978 -8.681 1.00 0.00 H new ATOM 872 N SER A 60 -7.767 6.098 -4.563 1.00 0.00 N ATOM 873 CA SER A 60 -8.213 7.127 -5.518 1.00 0.00 C ATOM 874 C SER A 60 -7.486 8.462 -5.293 1.00 0.00 C ATOM 875 O SER A 60 -7.173 9.181 -6.240 1.00 0.00 O ATOM 876 CB SER A 60 -9.732 7.342 -5.407 1.00 0.00 C ATOM 877 OG SER A 60 -10.168 8.398 -6.249 1.00 0.00 O ATOM 0 H SER A 60 -8.436 5.900 -3.819 1.00 0.00 H new ATOM 0 HA SER A 60 -7.969 6.769 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.252 6.422 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.995 7.567 -4.373 1.00 0.00 H new ATOM 0 HG SER A 60 -11.137 8.510 -6.158 1.00 0.00 H new ATOM 883 N LYS A 61 -7.199 8.773 -4.031 1.00 0.00 N ATOM 884 CA LYS A 61 -6.561 10.041 -3.652 1.00 0.00 C ATOM 885 C LYS A 61 -5.154 10.182 -4.254 1.00 0.00 C ATOM 886 O LYS A 61 -4.859 11.156 -4.951 1.00 0.00 O ATOM 887 CB LYS A 61 -6.496 10.140 -2.124 1.00 0.00 C ATOM 888 CG LYS A 61 -5.890 11.439 -1.603 1.00 0.00 C ATOM 889 CD LYS A 61 -5.924 11.494 -0.081 1.00 0.00 C ATOM 890 CE LYS A 61 -5.325 12.789 0.449 1.00 0.00 C ATOM 891 NZ LYS A 61 -5.406 12.867 1.929 1.00 0.00 N ATOM 0 H LYS A 61 -7.399 8.159 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.165 10.856 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.504 10.036 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.913 9.302 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.860 11.527 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.438 12.288 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.954 11.402 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.374 10.645 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.283 12.862 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.849 13.638 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.928 13.730 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.404 12.891 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.943 12.035 2.346 1.00 0.00 H new ATOM 905 N VAL A 62 -4.292 9.203 -3.983 1.00 0.00 N ATOM 906 CA VAL A 62 -2.907 9.229 -4.476 1.00 0.00 C ATOM 907 C VAL A 62 -2.849 9.108 -6.009 1.00 0.00 C ATOM 908 O VAL A 62 -1.887 9.543 -6.647 1.00 0.00 O ATOM 909 CB VAL A 62 -2.067 8.095 -3.839 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.090 8.206 -2.315 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.559 6.720 -4.291 1.00 0.00 C ATOM 0 H VAL A 62 -4.524 8.381 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.487 10.192 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.037 8.206 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.495 7.402 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.674 9.167 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.118 8.128 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.949 5.945 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.600 6.590 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.479 6.643 -5.375 1.00 0.00 H new ATOM 921 N LYS A 63 -3.892 8.516 -6.581 1.00 0.00 N ATOM 922 CA LYS A 63 -4.006 8.322 -8.030 1.00 0.00 C ATOM 923 C LYS A 63 -5.026 9.305 -8.630 1.00 0.00 C ATOM 924 O LYS A 63 -6.192 8.960 -8.839 1.00 0.00 O ATOM 925 CB LYS A 63 -4.430 6.873 -8.303 1.00 0.00 C ATOM 926 CG LYS A 63 -4.634 6.530 -9.773 1.00 0.00 C ATOM 927 CD LYS A 63 -5.255 5.146 -9.936 1.00 0.00 C ATOM 928 CE LYS A 63 -6.628 5.057 -9.276 1.00 0.00 C ATOM 929 NZ LYS A 63 -7.600 6.021 -9.862 1.00 0.00 N ATOM 0 H LYS A 63 -4.687 8.154 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.042 8.516 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.674 6.205 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.358 6.674 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.278 7.277 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.677 6.566 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.346 4.912 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.593 4.398 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.015 4.044 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.528 5.249 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.552 5.602 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.603 6.896 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.325 6.240 -10.841 1.00 0.00 H new ATOM 943 N GLY A 64 -4.586 10.531 -8.902 1.00 0.00 N ATOM 944 CA GLY A 64 -5.505 11.584 -9.332 1.00 0.00 C ATOM 945 C GLY A 64 -5.497 11.860 -10.834 1.00 0.00 C ATOM 946 O GLY A 64 -6.362 12.580 -11.337 1.00 0.00 O ATOM 0 H GLY A 64 -3.610 10.819 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.516 11.310 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.254 12.505 -8.805 1.00 0.00 H new ATOM 950 N LYS A 65 -4.536 11.299 -11.563 1.00 0.00 N ATOM 951 CA LYS A 65 -4.420 11.562 -13.008 1.00 0.00 C ATOM 952 C LYS A 65 -5.333 10.633 -13.842 1.00 0.00 C ATOM 953 O LYS A 65 -4.914 10.067 -14.855 1.00 0.00 O ATOM 954 CB LYS A 65 -2.947 11.434 -13.452 1.00 0.00 C ATOM 955 CG LYS A 65 -2.694 11.858 -14.902 1.00 0.00 C ATOM 956 CD LYS A 65 -3.222 13.263 -15.177 1.00 0.00 C ATOM 957 CE LYS A 65 -3.106 13.650 -16.648 1.00 0.00 C ATOM 958 NZ LYS A 65 -3.696 14.990 -16.911 1.00 0.00 N ATOM 0 H LYS A 65 -3.830 10.665 -11.189 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.757 12.582 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.326 12.041 -12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.629 10.399 -13.326 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.625 11.823 -15.110 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.174 11.150 -15.578 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.266 13.322 -14.870 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.670 13.981 -14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.057 13.650 -16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.610 12.903 -17.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.599 15.220 -17.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.703 14.983 -16.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.198 15.706 -16.344 1.00 0.00 H new ATOM 972 N SER A 66 -6.590 10.482 -13.410 1.00 0.00 N ATOM 973 CA SER A 66 -7.596 9.686 -14.148 1.00 0.00 C ATOM 974 C SER A 66 -7.112 8.254 -14.452 1.00 0.00 C ATOM 975 O SER A 66 -7.690 7.547 -15.284 1.00 0.00 O ATOM 976 CB SER A 66 -7.982 10.400 -15.455 1.00 0.00 C ATOM 977 OG SER A 66 -8.975 9.681 -16.176 1.00 0.00 O ATOM 0 H SER A 66 -6.943 10.900 -12.549 1.00 0.00 H new ATOM 0 HA SER A 66 -8.470 9.600 -13.503 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.351 11.400 -15.228 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.096 10.521 -16.078 1.00 0.00 H new ATOM 0 HG SER A 66 -8.818 8.719 -16.078 1.00 0.00 H new ATOM 983 N ALA A 67 -6.059 7.821 -13.760 1.00 0.00 N ATOM 984 CA ALA A 67 -5.477 6.493 -13.971 1.00 0.00 C ATOM 985 C ALA A 67 -6.329 5.392 -13.324 1.00 0.00 C ATOM 986 O ALA A 67 -7.220 5.669 -12.518 1.00 0.00 O ATOM 987 CB ALA A 67 -4.052 6.457 -13.426 1.00 0.00 C ATOM 0 H ALA A 67 -5.588 8.373 -13.044 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.456 6.300 -15.044 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.626 5.467 -13.586 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.446 7.201 -13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.065 6.678 -12.359 1.00 0.00 H new ATOM 993 N ARG A 68 -6.051 4.141 -13.678 1.00 0.00 N ATOM 994 CA ARG A 68 -6.786 2.997 -13.130 1.00 0.00 C ATOM 995 C ARG A 68 -5.942 2.238 -12.089 1.00 0.00 C ATOM 996 O ARG A 68 -6.460 1.752 -11.085 1.00 0.00 O ATOM 997 CB ARG A 68 -7.205 2.060 -14.270 1.00 0.00 C ATOM 998 CG ARG A 68 -8.082 0.892 -13.829 1.00 0.00 C ATOM 999 CD ARG A 68 -8.437 -0.013 -15.003 1.00 0.00 C ATOM 1000 NE ARG A 68 -7.243 -0.521 -15.680 1.00 0.00 N ATOM 1001 CZ ARG A 68 -6.945 -0.286 -16.932 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -7.737 0.419 -17.675 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -5.856 -0.773 -17.439 1.00 0.00 N ATOM 0 H ARG A 68 -5.320 3.889 -14.344 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.677 3.368 -12.624 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.741 2.639 -15.022 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.309 1.666 -14.750 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.562 0.313 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.996 1.273 -13.373 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.037 -0.851 -14.647 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.051 0.539 -15.715 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.599 -1.098 -15.139 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.601 0.796 -17.285 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.497 0.597 -18.650 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.233 -1.338 -16.862 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.622 -0.591 -18.415 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.636 2.151 -12.337 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.704 1.485 -11.410 1.00 0.00 C ATOM 1019 C VAL A 69 -2.768 2.490 -10.722 1.00 0.00 C ATOM 1020 O VAL A 69 -2.646 3.637 -11.155 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.837 0.425 -12.139 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.711 -0.663 -12.757 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -1.949 1.084 -13.196 1.00 0.00 C ATOM 0 H VAL A 69 -4.192 2.532 -13.173 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.323 0.996 -10.658 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.188 -0.048 -11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.079 -1.394 -13.262 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.284 -1.159 -11.973 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.395 -0.215 -13.478 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.350 0.322 -13.694 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.574 1.592 -13.930 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.290 1.808 -12.717 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.107 2.050 -9.654 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.109 2.873 -8.955 1.00 0.00 C ATOM 1035 C ILE A 70 0.305 2.297 -9.136 1.00 0.00 C ATOM 1036 O ILE A 70 0.481 1.080 -9.226 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.416 2.990 -7.438 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.462 1.598 -6.780 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.727 3.743 -7.214 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.703 1.627 -5.283 1.00 0.00 C ATOM 0 H ILE A 70 -2.242 1.124 -9.248 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.159 3.867 -9.400 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.612 3.557 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.249 1.011 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.521 1.085 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.927 3.816 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.648 4.744 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.542 3.207 -7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.721 0.608 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.903 2.185 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.658 2.110 -5.078 1.00 0.00 H new ATOM 1052 N ASN A 71 1.306 3.172 -9.197 1.00 0.00 N ATOM 1053 CA ASN A 71 2.704 2.736 -9.314 1.00 0.00 C ATOM 1054 C ASN A 71 3.425 2.791 -7.954 1.00 0.00 C ATOM 1055 O ASN A 71 2.831 3.168 -6.945 1.00 0.00 O ATOM 1056 CB ASN A 71 3.443 3.567 -10.376 1.00 0.00 C ATOM 1057 CG ASN A 71 3.420 5.063 -10.111 1.00 0.00 C ATOM 1058 OD1 ASN A 71 3.480 5.514 -8.970 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.320 5.848 -11.168 1.00 0.00 N ATOM 0 H ASN A 71 1.181 4.184 -9.168 1.00 0.00 H new ATOM 0 HA ASN A 71 2.707 1.695 -9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.479 3.233 -10.429 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.996 3.373 -11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.291 6.861 -11.050 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.272 5.442 -12.102 1.00 0.00 H new ATOM 1066 N TYR A 72 4.707 2.420 -7.936 1.00 0.00 N ATOM 1067 CA TYR A 72 5.476 2.302 -6.684 1.00 0.00 C ATOM 1068 C TYR A 72 5.475 3.615 -5.872 1.00 0.00 C ATOM 1069 O TYR A 72 5.375 3.595 -4.643 1.00 0.00 O ATOM 1070 CB TYR A 72 6.916 1.868 -7.001 1.00 0.00 C ATOM 1071 CG TYR A 72 7.753 1.526 -5.779 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.427 0.440 -4.972 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.877 2.276 -5.443 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.191 0.116 -3.867 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.646 1.958 -4.337 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.298 0.878 -3.553 1.00 0.00 C ATOM 1077 OH TYR A 72 10.066 0.550 -2.456 1.00 0.00 O ATOM 0 H TYR A 72 5.241 2.194 -8.775 1.00 0.00 H new ATOM 0 HA TYR A 72 4.992 1.546 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.884 1.000 -7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.410 2.668 -7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.562 -0.160 -5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.154 3.121 -6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.923 -0.730 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.513 2.552 -4.089 1.00 0.00 H new ATOM 0 HH TYR A 72 10.808 1.185 -2.375 1.00 0.00 H new ATOM 1087 N GLU A 73 5.573 4.750 -6.562 1.00 0.00 N ATOM 1088 CA GLU A 73 5.563 6.063 -5.898 1.00 0.00 C ATOM 1089 C GLU A 73 4.196 6.350 -5.250 1.00 0.00 C ATOM 1090 O GLU A 73 4.120 6.738 -4.081 1.00 0.00 O ATOM 1091 CB GLU A 73 5.887 7.174 -6.905 1.00 0.00 C ATOM 1092 CG GLU A 73 7.219 7.001 -7.622 1.00 0.00 C ATOM 1093 CD GLU A 73 7.497 8.132 -8.597 1.00 0.00 C ATOM 1094 OE1 GLU A 73 6.866 8.160 -9.675 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.347 8.997 -8.295 1.00 0.00 O ATOM 0 H GLU A 73 5.660 4.793 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 73 6.324 6.042 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.091 7.218 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.890 8.131 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.022 6.952 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.220 6.052 -8.159 1.00 0.00 H new ATOM 1102 N GLU A 74 3.121 6.157 -6.018 1.00 0.00 N ATOM 1103 CA GLU A 74 1.754 6.368 -5.516 1.00 0.00 C ATOM 1104 C GLU A 74 1.440 5.405 -4.361 1.00 0.00 C ATOM 1105 O GLU A 74 0.742 5.759 -3.411 1.00 0.00 O ATOM 1106 CB GLU A 74 0.743 6.198 -6.662 1.00 0.00 C ATOM 1107 CG GLU A 74 0.984 7.168 -7.816 1.00 0.00 C ATOM 1108 CD GLU A 74 0.075 6.934 -9.013 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.160 5.848 -9.621 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.694 7.853 -9.375 1.00 0.00 O ATOM 0 H GLU A 74 3.167 5.855 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 74 1.677 7.384 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.795 5.176 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.265 6.345 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.842 8.187 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.022 7.085 -8.138 1.00 0.00 H new ATOM 1117 N PHE A 75 1.977 4.190 -4.453 1.00 0.00 N ATOM 1118 CA PHE A 75 1.899 3.211 -3.367 1.00 0.00 C ATOM 1119 C PHE A 75 2.541 3.774 -2.087 1.00 0.00 C ATOM 1120 O PHE A 75 1.983 3.671 -0.997 1.00 0.00 O ATOM 1121 CB PHE A 75 2.602 1.914 -3.796 1.00 0.00 C ATOM 1122 CG PHE A 75 2.565 0.809 -2.770 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.415 0.061 -2.576 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.690 0.509 -2.011 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.386 -0.962 -1.649 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.664 -0.511 -1.082 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.511 -1.247 -0.899 1.00 0.00 C ATOM 0 H PHE A 75 2.476 3.856 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 75 0.852 2.996 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.141 1.553 -4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.642 2.140 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.531 0.281 -3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.595 1.081 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.484 -1.539 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.545 -0.733 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.488 -2.044 -0.171 1.00 0.00 H new ATOM 1137 N LYS A 76 3.717 4.385 -2.240 1.00 0.00 N ATOM 1138 CA LYS A 76 4.406 5.044 -1.124 1.00 0.00 C ATOM 1139 C LYS A 76 3.561 6.187 -0.534 1.00 0.00 C ATOM 1140 O LYS A 76 3.483 6.350 0.684 1.00 0.00 O ATOM 1141 CB LYS A 76 5.767 5.573 -1.590 1.00 0.00 C ATOM 1142 CG LYS A 76 6.757 4.471 -1.959 1.00 0.00 C ATOM 1143 CD LYS A 76 8.044 5.034 -2.563 1.00 0.00 C ATOM 1144 CE LYS A 76 8.639 6.148 -1.706 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.019 6.509 -2.130 1.00 0.00 N ATOM 0 H LYS A 76 4.215 4.438 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 76 4.557 4.305 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.619 6.221 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.198 6.188 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.999 3.889 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.291 3.789 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.774 4.232 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.838 5.416 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.001 7.030 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.652 5.833 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.382 7.269 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.636 5.676 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.005 6.835 -3.118 1.00 0.00 H new ATOM 1159 N LYS A 77 2.925 6.976 -1.403 1.00 0.00 N ATOM 1160 CA LYS A 77 2.003 8.029 -0.952 1.00 0.00 C ATOM 1161 C LYS A 77 0.841 7.426 -0.145 1.00 0.00 C ATOM 1162 O LYS A 77 0.411 7.981 0.871 1.00 0.00 O ATOM 1163 CB LYS A 77 1.442 8.814 -2.145 1.00 0.00 C ATOM 1164 CG LYS A 77 2.480 9.623 -2.914 1.00 0.00 C ATOM 1165 CD LYS A 77 1.822 10.473 -4.000 1.00 0.00 C ATOM 1166 CE LYS A 77 2.832 11.334 -4.747 1.00 0.00 C ATOM 1167 NZ LYS A 77 2.174 12.213 -5.752 1.00 0.00 N ATOM 0 H LYS A 77 3.028 6.910 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 77 2.567 8.709 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.964 8.115 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.666 9.490 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.027 10.267 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.208 8.950 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.308 9.822 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.064 11.114 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.384 11.947 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.558 10.692 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.895 12.783 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.668 11.628 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.499 12.843 -5.273 1.00 0.00 H new ATOM 1181 N ALA A 78 0.337 6.287 -0.617 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.730 5.560 0.072 1.00 0.00 C ATOM 1183 C ALA A 78 -0.273 5.084 1.458 1.00 0.00 C ATOM 1184 O ALA A 78 -1.028 5.150 2.432 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.193 4.376 -0.774 1.00 0.00 C ATOM 0 H ALA A 78 0.653 5.844 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.568 6.242 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.987 3.843 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.569 4.738 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.354 3.701 -0.945 1.00 0.00 H new ATOM 1191 N LEU A 79 0.973 4.614 1.540 1.00 0.00 N ATOM 1192 CA LEU A 79 1.556 4.187 2.815 1.00 0.00 C ATOM 1193 C LEU A 79 1.639 5.356 3.808 1.00 0.00 C ATOM 1194 O LEU A 79 1.420 5.174 5.003 1.00 0.00 O ATOM 1195 CB LEU A 79 2.950 3.579 2.606 1.00 0.00 C ATOM 1196 CG LEU A 79 3.000 2.323 1.721 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.421 1.771 1.652 1.00 0.00 C ATOM 1198 CD2 LEU A 79 2.025 1.258 2.230 1.00 0.00 C ATOM 0 H LEU A 79 1.598 4.519 0.740 1.00 0.00 H new ATOM 0 HA LEU A 79 0.900 3.424 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.596 4.338 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.369 3.332 3.581 1.00 0.00 H new ATOM 0 HG LEU A 79 2.694 2.604 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.436 0.882 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.085 2.526 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.759 1.510 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.078 0.379 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.291 0.979 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.011 1.657 2.216 1.00 0.00 H new ATOM 1210 N GLU A 80 1.953 6.557 3.308 1.00 0.00 N ATOM 1211 CA GLU A 80 1.978 7.759 4.156 1.00 0.00 C ATOM 1212 C GLU A 80 0.583 8.036 4.748 1.00 0.00 C ATOM 1213 O GLU A 80 0.446 8.367 5.931 1.00 0.00 O ATOM 1214 CB GLU A 80 2.462 8.985 3.361 1.00 0.00 C ATOM 1215 CG GLU A 80 2.647 10.238 4.220 1.00 0.00 C ATOM 1216 CD GLU A 80 2.934 11.493 3.404 1.00 0.00 C ATOM 1217 OE1 GLU A 80 1.988 12.048 2.809 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.099 11.938 3.357 1.00 0.00 O ATOM 0 H GLU A 80 2.191 6.724 2.330 1.00 0.00 H new ATOM 0 HA GLU A 80 2.678 7.576 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.408 8.743 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.745 9.200 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.748 10.398 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.467 10.073 4.919 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.453 7.893 3.917 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.839 8.035 4.378 1.00 0.00 C ATOM 1227 C GLU A 81 -2.168 7.009 5.476 1.00 0.00 C ATOM 1228 O GLU A 81 -2.600 7.374 6.569 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.820 7.869 3.205 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.729 8.964 2.145 1.00 0.00 C ATOM 1231 CD GLU A 81 -3.050 10.350 2.691 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.207 10.582 3.103 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -2.152 11.216 2.702 1.00 0.00 O ATOM 0 H GLU A 81 -0.360 7.680 2.924 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.946 9.036 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.639 6.905 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.836 7.845 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.724 8.970 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.416 8.732 1.331 1.00 0.00 H new ATOM 1240 N LEU A 82 -1.953 5.727 5.179 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.216 4.652 6.147 1.00 0.00 C ATOM 1242 C LEU A 82 -1.377 4.827 7.423 1.00 0.00 C ATOM 1243 O LEU A 82 -1.846 4.558 8.529 1.00 0.00 O ATOM 1244 CB LEU A 82 -1.928 3.284 5.516 1.00 0.00 C ATOM 1245 CG LEU A 82 -2.798 2.917 4.302 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -2.411 1.541 3.761 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.283 2.962 4.664 1.00 0.00 C ATOM 0 H LEU A 82 -1.598 5.404 4.279 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.269 4.706 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.882 3.257 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.058 2.517 6.279 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.621 3.654 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.037 1.298 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.365 1.551 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.555 0.791 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.879 2.699 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.483 2.252 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.547 3.967 4.994 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.134 5.278 7.260 1.00 0.00 N ATOM 1260 CA ALA A 83 0.755 5.537 8.396 1.00 0.00 C ATOM 1261 C ALA A 83 0.151 6.569 9.356 1.00 0.00 C ATOM 1262 O ALA A 83 -0.010 6.305 10.548 1.00 0.00 O ATOM 1263 CB ALA A 83 2.115 6.012 7.902 1.00 0.00 C ATOM 0 H ALA A 83 0.283 5.473 6.350 1.00 0.00 H new ATOM 0 HA ALA A 83 0.879 4.603 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.766 6.201 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.560 5.245 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.993 6.931 7.328 1.00 0.00 H new ATOM 1269 N THR A 84 -0.200 7.735 8.819 1.00 0.00 N ATOM 1270 CA THR A 84 -0.822 8.803 9.613 1.00 0.00 C ATOM 1271 C THR A 84 -2.192 8.383 10.173 1.00 0.00 C ATOM 1272 O THR A 84 -2.658 8.929 11.177 1.00 0.00 O ATOM 1273 CB THR A 84 -0.983 10.102 8.786 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.665 9.823 7.553 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.376 10.734 8.488 1.00 0.00 C ATOM 0 H THR A 84 -0.066 7.969 7.835 1.00 0.00 H new ATOM 0 HA THR A 84 -0.150 8.993 10.450 1.00 0.00 H new ATOM 0 HB THR A 84 -1.571 10.805 9.375 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.945 8.884 7.539 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.234 11.645 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.878 10.976 9.425 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.987 10.032 7.920 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.835 7.416 9.516 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.092 6.839 10.012 1.00 0.00 C ATOM 1285 C LYS A 85 -3.856 5.908 11.217 1.00 0.00 C ATOM 1286 O LYS A 85 -4.603 5.938 12.194 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.797 6.052 8.892 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.344 6.912 7.755 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.506 7.791 8.207 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.037 8.651 7.066 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.543 7.831 5.930 1.00 0.00 N ATOM 0 H LYS A 85 -2.508 7.014 8.638 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.723 7.667 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.095 5.329 8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.619 5.484 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.546 7.541 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.673 6.268 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.309 7.163 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.180 8.433 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.839 9.288 7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.245 9.310 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.884 7.904 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.619 6.837 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.480 8.179 5.641 1.00 0.00 H new ATOM 1305 N ARG A 86 -2.809 5.086 11.140 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.540 4.066 12.168 1.00 0.00 C ATOM 1307 C ARG A 86 -1.632 4.580 13.299 1.00 0.00 C ATOM 1308 O ARG A 86 -2.002 4.541 14.476 1.00 0.00 O ATOM 1309 CB ARG A 86 -1.897 2.829 11.522 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.808 2.091 10.545 1.00 0.00 C ATOM 1311 CD ARG A 86 -4.010 1.466 11.250 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.610 0.455 12.232 1.00 0.00 N ATOM 1313 CZ ARG A 86 -4.330 0.107 13.265 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -5.471 0.675 13.491 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -3.897 -0.805 14.072 1.00 0.00 N ATOM 0 H ARG A 86 -2.130 5.102 10.379 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.501 3.808 12.614 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.992 3.135 10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.591 2.139 12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.156 2.784 9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.240 1.312 10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.584 2.247 11.748 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.668 1.011 10.509 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.710 -0.007 12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.814 1.400 12.860 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.027 0.398 14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.996 -1.251 13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.457 -1.079 14.879 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.439 5.052 12.943 1.00 0.00 N ATOM 1330 CA PHE A 87 0.596 5.400 13.933 1.00 0.00 C ATOM 1331 C PHE A 87 0.649 6.905 14.215 1.00 0.00 C ATOM 1332 O PHE A 87 1.678 7.430 14.657 1.00 0.00 O ATOM 1333 CB PHE A 87 1.963 4.910 13.436 1.00 0.00 C ATOM 1334 CG PHE A 87 1.943 3.478 12.963 1.00 0.00 C ATOM 1335 CD1 PHE A 87 2.000 2.429 13.869 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.851 3.183 11.609 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.971 1.118 13.433 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.820 1.876 11.171 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.879 0.841 12.083 1.00 0.00 C ATOM 0 H PHE A 87 -0.158 5.205 11.975 1.00 0.00 H new ATOM 0 HA PHE A 87 0.338 4.907 14.870 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.297 5.551 12.620 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.692 5.011 14.240 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.068 2.639 14.926 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.803 3.988 10.890 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.020 0.310 14.148 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.750 1.662 10.115 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.853 -0.183 11.741 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.478 7.578 14.005 1.00 0.00 N ATOM 1350 CA LYS A 88 -0.584 9.036 14.192 1.00 0.00 C ATOM 1351 C LYS A 88 0.342 9.808 13.226 1.00 0.00 C ATOM 1352 O LYS A 88 0.980 9.222 12.352 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.268 9.424 15.652 1.00 0.00 C ATOM 1354 CG LYS A 88 -1.139 8.716 16.692 1.00 0.00 C ATOM 1355 CD LYS A 88 -2.624 9.024 16.511 1.00 0.00 C ATOM 1356 CE LYS A 88 -3.476 8.328 17.566 1.00 0.00 C ATOM 1357 NZ LYS A 88 -4.928 8.563 17.355 1.00 0.00 N ATOM 0 H LYS A 88 -1.346 7.137 13.701 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.613 9.316 13.964 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.779 9.199 15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.391 10.501 15.765 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.982 7.640 16.622 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.827 9.019 17.691 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.782 10.101 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.943 8.707 15.518 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.276 7.257 17.544 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.191 8.686 18.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.470 8.072 18.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.125 9.583 17.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.207 8.199 16.422 1.00 0.00 H new ATOM 1371 N GLY A 89 0.398 11.129 13.382 1.00 0.00 N ATOM 1372 CA GLY A 89 1.265 11.952 12.539 1.00 0.00 C ATOM 1373 C GLY A 89 2.598 12.302 13.200 1.00 0.00 C ATOM 1374 O GLY A 89 3.290 13.225 12.768 1.00 0.00 O ATOM 0 H GLY A 89 -0.140 11.649 14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.458 11.425 11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.742 12.873 12.282 1.00 0.00 H new ATOM 1378 N LYS A 90 2.966 11.562 14.244 1.00 0.00 N ATOM 1379 CA LYS A 90 4.218 11.807 14.969 1.00 0.00 C ATOM 1380 C LYS A 90 5.431 11.316 14.160 1.00 0.00 C ATOM 1381 O LYS A 90 5.775 10.131 14.198 1.00 0.00 O ATOM 1382 CB LYS A 90 4.174 11.119 16.344 1.00 0.00 C ATOM 1383 CG LYS A 90 5.428 11.331 17.193 1.00 0.00 C ATOM 1384 CD LYS A 90 5.337 10.594 18.529 1.00 0.00 C ATOM 1385 CE LYS A 90 6.586 10.798 19.381 1.00 0.00 C ATOM 1386 NZ LYS A 90 6.792 12.228 19.749 1.00 0.00 N ATOM 0 H LYS A 90 2.416 10.785 14.610 1.00 0.00 H new ATOM 0 HA LYS A 90 4.326 12.882 15.114 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.309 11.489 16.895 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.025 10.049 16.198 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.303 10.982 16.644 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.569 12.397 17.374 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.463 10.945 19.078 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.193 9.529 18.346 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.506 10.199 20.288 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.458 10.436 18.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.547 12.298 20.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.063 12.769 18.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.910 12.616 20.140 1.00 0.00 H new ATOM 1400 N SER A 91 6.068 12.241 13.431 1.00 0.00 N ATOM 1401 CA SER A 91 7.224 11.929 12.569 1.00 0.00 C ATOM 1402 C SER A 91 6.848 11.006 11.400 1.00 0.00 C ATOM 1403 O SER A 91 6.564 9.822 11.593 1.00 0.00 O ATOM 1404 CB SER A 91 8.365 11.290 13.373 1.00 0.00 C ATOM 1405 OG SER A 91 9.385 10.789 12.516 1.00 0.00 O ATOM 0 H SER A 91 5.801 13.225 13.419 1.00 0.00 H new ATOM 0 HA SER A 91 7.561 12.881 12.159 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.789 12.027 14.055 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.971 10.479 13.986 1.00 0.00 H new ATOM 0 HG SER A 91 10.099 10.389 13.056 1.00 0.00 H new ATOM 1411 N LYS A 92 6.859 11.548 10.180 1.00 0.00 N ATOM 1412 CA LYS A 92 6.606 10.748 8.987 1.00 0.00 C ATOM 1413 C LYS A 92 7.592 9.580 8.877 1.00 0.00 C ATOM 1414 O LYS A 92 7.237 8.507 8.405 1.00 0.00 O ATOM 1415 CB LYS A 92 6.715 11.609 7.729 1.00 0.00 C ATOM 1416 CG LYS A 92 5.563 12.585 7.508 1.00 0.00 C ATOM 1417 CD LYS A 92 5.647 13.205 6.117 1.00 0.00 C ATOM 1418 CE LYS A 92 4.497 14.158 5.824 1.00 0.00 C ATOM 1419 NZ LYS A 92 4.513 14.594 4.402 1.00 0.00 N ATOM 0 H LYS A 92 7.040 12.535 9.996 1.00 0.00 H new ATOM 0 HA LYS A 92 5.595 10.350 9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.646 12.175 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.784 10.951 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.612 12.066 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.593 13.369 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.591 13.742 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.654 12.411 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.549 13.669 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.567 15.029 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.739 15.269 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.423 15.051 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.388 13.767 3.784 1.00 0.00 H new ATOM 1433 N GLU A 93 8.832 9.794 9.313 1.00 0.00 N ATOM 1434 CA GLU A 93 9.869 8.763 9.224 1.00 0.00 C ATOM 1435 C GLU A 93 9.483 7.500 10.010 1.00 0.00 C ATOM 1436 O GLU A 93 9.489 6.396 9.467 1.00 0.00 O ATOM 1437 CB GLU A 93 11.214 9.308 9.724 1.00 0.00 C ATOM 1438 CG GLU A 93 11.730 10.502 8.923 1.00 0.00 C ATOM 1439 CD GLU A 93 13.139 10.913 9.319 1.00 0.00 C ATOM 1440 OE1 GLU A 93 14.108 10.349 8.759 1.00 0.00 O ATOM 1441 OE2 GLU A 93 13.291 11.788 10.198 1.00 0.00 O ATOM 0 H GLU A 93 9.145 10.670 9.731 1.00 0.00 H new ATOM 0 HA GLU A 93 9.966 8.486 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.111 9.600 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.955 8.510 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.713 10.256 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.057 11.347 9.065 1.00 0.00 H new ATOM 1448 N GLU A 94 9.128 7.670 11.284 1.00 0.00 N ATOM 1449 CA GLU A 94 8.745 6.533 12.133 1.00 0.00 C ATOM 1450 C GLU A 94 7.399 5.926 11.696 1.00 0.00 C ATOM 1451 O GLU A 94 7.248 4.703 11.640 1.00 0.00 O ATOM 1452 CB GLU A 94 8.687 6.957 13.609 1.00 0.00 C ATOM 1453 CG GLU A 94 8.333 5.813 14.558 1.00 0.00 C ATOM 1454 CD GLU A 94 8.505 6.181 16.024 1.00 0.00 C ATOM 1455 OE1 GLU A 94 7.537 6.685 16.638 1.00 0.00 O ATOM 1456 OE2 GLU A 94 9.606 5.958 16.570 1.00 0.00 O ATOM 0 H GLU A 94 9.097 8.576 11.752 1.00 0.00 H new ATOM 0 HA GLU A 94 9.509 5.764 12.017 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.652 7.373 13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.951 7.753 13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.300 5.510 14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.960 4.952 14.329 1.00 0.00 H new ATOM 1463 N ALA A 95 6.429 6.781 11.380 1.00 0.00 N ATOM 1464 CA ALA A 95 5.120 6.320 10.894 1.00 0.00 C ATOM 1465 C ALA A 95 5.250 5.518 9.584 1.00 0.00 C ATOM 1466 O ALA A 95 4.677 4.432 9.444 1.00 0.00 O ATOM 1467 CB ALA A 95 4.188 7.514 10.697 1.00 0.00 C ATOM 0 H ALA A 95 6.519 7.795 11.450 1.00 0.00 H new ATOM 0 HA ALA A 95 4.697 5.653 11.646 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.220 7.165 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.056 8.033 11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.622 8.197 9.967 1.00 0.00 H new ATOM 1473 N PHE A 96 6.012 6.057 8.634 1.00 0.00 N ATOM 1474 CA PHE A 96 6.243 5.398 7.342 1.00 0.00 C ATOM 1475 C PHE A 96 7.051 4.103 7.528 1.00 0.00 C ATOM 1476 O PHE A 96 6.814 3.102 6.846 1.00 0.00 O ATOM 1477 CB PHE A 96 6.969 6.357 6.381 1.00 0.00 C ATOM 1478 CG PHE A 96 7.029 5.881 4.948 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.975 6.133 4.078 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.136 5.193 4.470 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.026 5.709 2.763 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.190 4.765 3.157 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.134 5.025 2.302 1.00 0.00 C ATOM 0 H PHE A 96 6.485 6.955 8.733 1.00 0.00 H new ATOM 0 HA PHE A 96 5.278 5.134 6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.470 7.326 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.986 6.512 6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.106 6.666 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.965 4.990 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.200 5.912 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.056 4.228 2.799 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.176 4.693 1.275 1.00 0.00 H new ATOM 1493 N ASP A 97 8.002 4.129 8.460 1.00 0.00 N ATOM 1494 CA ASP A 97 8.768 2.934 8.825 1.00 0.00 C ATOM 1495 C ASP A 97 7.832 1.821 9.306 1.00 0.00 C ATOM 1496 O ASP A 97 7.870 0.691 8.816 1.00 0.00 O ATOM 1497 CB ASP A 97 9.764 3.281 9.939 1.00 0.00 C ATOM 1498 CG ASP A 97 10.669 2.115 10.301 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.661 1.884 9.581 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.388 1.428 11.308 1.00 0.00 O ATOM 0 H ASP A 97 8.263 4.967 8.979 1.00 0.00 H new ATOM 0 HA ASP A 97 9.307 2.584 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.376 4.126 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.215 3.598 10.826 1.00 0.00 H new ATOM 1505 N ALA A 98 6.976 2.172 10.258 1.00 0.00 N ATOM 1506 CA ALA A 98 6.055 1.222 10.880 1.00 0.00 C ATOM 1507 C ALA A 98 5.005 0.671 9.891 1.00 0.00 C ATOM 1508 O ALA A 98 4.698 -0.525 9.907 1.00 0.00 O ATOM 1509 CB ALA A 98 5.386 1.883 12.077 1.00 0.00 C ATOM 0 H ALA A 98 6.899 3.122 10.622 1.00 0.00 H new ATOM 0 HA ALA A 98 6.635 0.361 11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.698 1.178 12.544 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.146 2.182 12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.835 2.763 11.746 1.00 0.00 H new ATOM 1515 N ILE A 99 4.453 1.531 9.030 1.00 0.00 N ATOM 1516 CA ILE A 99 3.489 1.067 8.019 1.00 0.00 C ATOM 1517 C ILE A 99 4.173 0.115 7.022 1.00 0.00 C ATOM 1518 O ILE A 99 3.588 -0.879 6.591 1.00 0.00 O ATOM 1519 CB ILE A 99 2.807 2.242 7.260 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.650 1.725 6.384 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.811 3.013 6.409 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.556 1.026 7.167 1.00 0.00 C ATOM 0 H ILE A 99 4.649 2.532 9.008 1.00 0.00 H new ATOM 0 HA ILE A 99 2.704 0.531 8.552 1.00 0.00 H new ATOM 0 HB ILE A 99 2.403 2.926 8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.216 2.564 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.049 1.035 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.301 3.826 5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.592 3.423 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.258 2.342 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.223 0.690 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.975 0.166 7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.128 1.718 7.892 1.00 0.00 H new ATOM 1534 N CYS A 100 5.426 0.416 6.677 1.00 0.00 N ATOM 1535 CA CYS A 100 6.240 -0.489 5.860 1.00 0.00 C ATOM 1536 C CYS A 100 6.614 -1.744 6.653 1.00 0.00 C ATOM 1537 O CYS A 100 6.774 -2.818 6.087 1.00 0.00 O ATOM 1538 CB CYS A 100 7.508 0.215 5.365 1.00 0.00 C ATOM 1539 SG CYS A 100 7.192 1.596 4.239 1.00 0.00 S ATOM 0 H CYS A 100 5.900 1.277 6.949 1.00 0.00 H new ATOM 0 HA CYS A 100 5.646 -0.784 4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.067 0.582 6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.142 -0.514 4.860 1.00 0.00 H new ATOM 0 HG CYS A 100 6.994 2.681 4.928 1.00 0.00 H new ATOM 1545 N GLN A 101 6.737 -1.595 7.971 1.00 0.00 N ATOM 1546 CA GLN A 101 7.058 -2.713 8.867 1.00 0.00 C ATOM 1547 C GLN A 101 5.986 -3.813 8.783 1.00 0.00 C ATOM 1548 O GLN A 101 6.287 -5.007 8.887 1.00 0.00 O ATOM 1549 CB GLN A 101 7.160 -2.204 10.313 1.00 0.00 C ATOM 1550 CG GLN A 101 8.005 -3.077 11.232 1.00 0.00 C ATOM 1551 CD GLN A 101 9.479 -3.002 10.883 1.00 0.00 C ATOM 1552 OE1 GLN A 101 9.993 -3.809 10.113 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.161 -2.014 11.421 1.00 0.00 N ATOM 0 H GLN A 101 6.618 -0.702 8.449 1.00 0.00 H new ATOM 0 HA GLN A 101 8.013 -3.138 8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.579 -1.198 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.156 -2.126 10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.860 -2.763 12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.667 -4.111 11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.700 -1.363 12.057 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.151 -1.899 11.203 1.00 0.00 H new ATOM 1562 N LEU A 102 4.732 -3.394 8.606 1.00 0.00 N ATOM 1563 CA LEU A 102 3.604 -4.326 8.457 1.00 0.00 C ATOM 1564 C LEU A 102 3.682 -5.119 7.136 1.00 0.00 C ATOM 1565 O LEU A 102 3.105 -6.200 7.015 1.00 0.00 O ATOM 1566 CB LEU A 102 2.274 -3.558 8.529 1.00 0.00 C ATOM 1567 CG LEU A 102 2.034 -2.780 9.835 1.00 0.00 C ATOM 1568 CD1 LEU A 102 0.702 -2.030 9.783 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.079 -3.719 11.039 1.00 0.00 C ATOM 0 H LEU A 102 4.467 -2.410 8.562 1.00 0.00 H new ATOM 0 HA LEU A 102 3.659 -5.043 9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.232 -2.857 7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.457 -4.266 8.392 1.00 0.00 H new ATOM 0 HG LEU A 102 2.832 -2.046 9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.553 -1.487 10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.713 -1.325 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.111 -2.742 9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.907 -3.149 11.952 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.306 -4.480 10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.056 -4.199 11.090 1.00 0.00 H new ATOM 1581 N VAL A 103 4.402 -4.579 6.151 1.00 0.00 N ATOM 1582 CA VAL A 103 4.558 -5.235 4.842 1.00 0.00 C ATOM 1583 C VAL A 103 6.007 -5.720 4.629 1.00 0.00 C ATOM 1584 O VAL A 103 6.275 -6.922 4.625 1.00 0.00 O ATOM 1585 CB VAL A 103 4.162 -4.277 3.688 1.00 0.00 C ATOM 1586 CG1 VAL A 103 4.253 -4.978 2.332 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.763 -3.707 3.916 1.00 0.00 C ATOM 0 H VAL A 103 4.889 -3.687 6.231 1.00 0.00 H new ATOM 0 HA VAL A 103 3.892 -6.098 4.834 1.00 0.00 H new ATOM 0 HB VAL A 103 4.870 -3.449 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.970 -4.282 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.275 -5.318 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.579 -5.835 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.505 -3.038 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.041 -4.522 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.744 -3.154 4.855 1.00 0.00 H new ATOM 1597 N ALA A 104 6.925 -4.765 4.451 1.00 0.00 N ATOM 1598 CA ALA A 104 8.362 -5.042 4.296 1.00 0.00 C ATOM 1599 C ALA A 104 8.666 -6.054 3.180 1.00 0.00 C ATOM 1600 O ALA A 104 8.911 -5.672 2.040 1.00 0.00 O ATOM 1601 CB ALA A 104 8.965 -5.494 5.625 1.00 0.00 C ATOM 0 H ALA A 104 6.694 -3.772 4.410 1.00 0.00 H new ATOM 0 HA ALA A 104 8.831 -4.106 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.028 -5.695 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.834 -4.709 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.464 -6.401 5.962 1.00 0.00 H new ATOM 1607 N GLY A 105 8.632 -7.339 3.511 1.00 0.00 N ATOM 1608 CA GLY A 105 8.969 -8.377 2.542 1.00 0.00 C ATOM 1609 C GLY A 105 8.115 -9.627 2.698 1.00 0.00 C ATOM 1610 O GLY A 105 8.542 -10.731 2.353 1.00 0.00 O ATOM 0 H GLY A 105 8.377 -7.687 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.845 -7.981 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.020 -8.644 2.653 1.00 0.00 H new ATOM 1614 N LYS A 106 6.902 -9.450 3.209 1.00 0.00 N ATOM 1615 CA LYS A 106 5.992 -10.570 3.478 1.00 0.00 C ATOM 1616 C LYS A 106 5.392 -11.171 2.194 1.00 0.00 C ATOM 1617 O LYS A 106 5.783 -10.827 1.076 1.00 0.00 O ATOM 1618 CB LYS A 106 4.864 -10.104 4.407 1.00 0.00 C ATOM 1619 CG LYS A 106 5.336 -9.720 5.806 1.00 0.00 C ATOM 1620 CD LYS A 106 4.184 -9.209 6.667 1.00 0.00 C ATOM 1621 CE LYS A 106 4.628 -8.917 8.095 1.00 0.00 C ATOM 1622 NZ LYS A 106 5.120 -10.139 8.784 1.00 0.00 N ATOM 0 H LYS A 106 6.519 -8.536 3.449 1.00 0.00 H new ATOM 0 HA LYS A 106 6.578 -11.355 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.364 -9.247 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.123 -10.899 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.794 -10.585 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.105 -8.951 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.773 -8.303 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.384 -9.949 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.417 -8.165 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 106 3.794 -8.495 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.171 -9.963 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 4.468 -10.928 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.066 -10.382 8.427 1.00 0.00 H new ATOM 1636 N GLU A 107 4.446 -12.084 2.378 1.00 0.00 N ATOM 1637 CA GLU A 107 3.753 -12.742 1.267 1.00 0.00 C ATOM 1638 C GLU A 107 2.245 -12.821 1.549 1.00 0.00 C ATOM 1639 O GLU A 107 1.834 -12.864 2.711 1.00 0.00 O ATOM 1640 CB GLU A 107 4.327 -14.154 1.058 1.00 0.00 C ATOM 1641 CG GLU A 107 4.301 -15.014 2.321 1.00 0.00 C ATOM 1642 CD GLU A 107 4.856 -16.414 2.104 1.00 0.00 C ATOM 1643 OE1 GLU A 107 6.079 -16.548 1.878 1.00 0.00 O ATOM 1644 OE2 GLU A 107 4.085 -17.388 2.196 1.00 0.00 O ATOM 0 H GLU A 107 4.135 -12.392 3.299 1.00 0.00 H new ATOM 0 HA GLU A 107 3.906 -12.157 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.760 -14.656 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.355 -14.071 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.878 -14.519 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.275 -15.089 2.681 1.00 0.00 H new ATOM 1651 N PRO A 108 1.396 -12.836 0.499 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.068 -12.893 0.672 1.00 0.00 C ATOM 1653 C PRO A 108 -0.534 -14.122 1.479 1.00 0.00 C ATOM 1654 O PRO A 108 -0.715 -15.212 0.928 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.607 -12.940 -0.773 1.00 0.00 C ATOM 1656 CG PRO A 108 0.562 -13.345 -1.614 1.00 0.00 C ATOM 1657 CD PRO A 108 1.779 -12.793 -0.925 1.00 0.00 C ATOM 0 HA PRO A 108 -0.436 -12.042 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.425 -13.655 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.996 -11.969 -1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.622 -14.430 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.472 -12.947 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.665 -13.396 -1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.004 -11.778 -1.253 1.00 0.00 H new ATOM 1665 N ALA A 109 -0.729 -13.923 2.788 1.00 0.00 N ATOM 1666 CA ALA A 109 -1.130 -14.991 3.721 1.00 0.00 C ATOM 1667 C ALA A 109 -0.081 -16.115 3.805 1.00 0.00 C ATOM 1668 O ALA A 109 0.716 -16.168 4.744 1.00 0.00 O ATOM 1669 CB ALA A 109 -2.501 -15.559 3.342 1.00 0.00 C ATOM 0 H ALA A 109 -0.613 -13.014 3.235 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.200 -14.540 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.776 -16.346 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.246 -14.764 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.458 -15.972 2.334 1.00 0.00 H new