USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -101:sc= 0.193 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.262 K(o=-0.069,f=-2.9!) USER MOD Set 2.1: A 17 CYS SG : rot -43:sc= -2.95! USER MOD Set 2.2: A 67 MET CE :methyl -124:sc= -2.16 (180deg=-5.95!) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 140:sc= 0.0165 (180deg=0) USER MOD Set 3.2: A 29 HIS : no HD1:sc= -0.308 K(o=0.07,f=-0.88) USER MOD Set 3.3: A 32 TYR OH : rot -36:sc= 0.362 USER MOD Single : A 11 SER OG : rot 164:sc= 0.00755 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot -36:sc= 0.125 USER MOD Single : A 19 SER OG : rot -62:sc= 1.33 USER MOD Single : A 24 MET CE :methyl -169:sc= 0 (180deg=-0.12) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.124 (180deg=-0.554) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00643 X(o=-0.0064,f=-0.065) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.946 F(o=-2.1!,f=-0.95) USER MOD Single : A 58 MET CE :methyl 165:sc= -0.668 (180deg=-1.45!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00242) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 0.162 (180deg=0.083) USER MOD Single : A 72 TYR OH : rot 51:sc= -0.0778 USER MOD Single : A 76 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.75) USER MOD Single : A 85 MET CE :methyl 152:sc= 0 (180deg=-0.824) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -4.49! C(o=-4.5!,f=-5.1!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.128 (180deg=-0.463) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.0552 K(o=-0.055,f=-1.9) USER MOD Single : A 102 MET CE :methyl -113:sc= -3.04! (180deg=-5.93!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 112 MET CE :methyl 150:sc= 0 (180deg=-0.0755) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 165:sc= -0.107 (180deg=-0.596) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.816 17.919 6.204 1.00 0.00 N ATOM 115 CA SER A 11 -5.637 18.785 5.368 1.00 0.00 C ATOM 116 C SER A 11 -7.079 18.289 5.322 1.00 0.00 C ATOM 117 O SER A 11 -7.347 17.109 5.546 1.00 0.00 O ATOM 118 CB SER A 11 -5.065 18.854 3.951 1.00 0.00 C ATOM 119 OG SER A 11 -3.982 19.765 3.882 1.00 0.00 O ATOM 0 HA SER A 11 -5.628 19.783 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.731 17.864 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.846 19.159 3.255 1.00 0.00 H new ATOM 0 HG SER A 11 -3.474 19.607 3.059 1.00 0.00 H new ATOM 125 N GLU A 12 -8.003 19.199 5.031 1.00 0.00 N ATOM 126 CA GLU A 12 -9.418 18.853 4.958 1.00 0.00 C ATOM 127 C GLU A 12 -9.612 17.489 4.303 1.00 0.00 C ATOM 128 O GLU A 12 -10.513 16.733 4.670 1.00 0.00 O ATOM 129 CB GLU A 12 -10.186 19.920 4.175 1.00 0.00 C ATOM 130 CG GLU A 12 -11.677 19.935 4.467 1.00 0.00 C ATOM 131 CD GLU A 12 -11.980 20.068 5.947 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.112 20.575 6.687 1.00 0.00 O ATOM 133 OE2 GLU A 12 -13.086 19.664 6.364 1.00 0.00 O ATOM 0 H GLU A 12 -7.798 20.180 4.842 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.807 18.807 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.769 20.900 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.035 19.755 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.140 20.762 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.127 19.017 4.089 1.00 0.00 H new ATOM 140 N HIS A 13 -8.760 17.179 3.331 1.00 0.00 N ATOM 141 CA HIS A 13 -8.836 15.905 2.624 1.00 0.00 C ATOM 142 C HIS A 13 -7.999 14.842 3.329 1.00 0.00 C ATOM 143 O HIS A 13 -8.535 13.882 3.884 1.00 0.00 O ATOM 144 CB HIS A 13 -8.362 16.070 1.180 1.00 0.00 C ATOM 145 CG HIS A 13 -9.172 17.053 0.392 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.644 17.819 -0.626 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.480 17.391 0.475 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.591 18.587 -1.133 1.00 0.00 C ATOM 149 NE2 HIS A 13 -10.716 18.346 -0.482 1.00 0.00 N ATOM 0 H HIS A 13 -8.009 17.792 3.015 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.876 15.580 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.320 16.390 1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.397 15.101 0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.204 16.985 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.467 19.292 -1.942 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.613 18.796 -0.662 1.00 0.00 H new ATOM 157 N LEU A 14 -6.683 15.019 3.302 1.00 0.00 N ATOM 158 CA LEU A 14 -5.771 14.074 3.938 1.00 0.00 C ATOM 159 C LEU A 14 -6.311 13.623 5.291 1.00 0.00 C ATOM 160 O LEU A 14 -6.418 12.426 5.560 1.00 0.00 O ATOM 161 CB LEU A 14 -4.389 14.707 4.112 1.00 0.00 C ATOM 162 CG LEU A 14 -3.306 13.803 4.702 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.677 12.946 3.614 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.246 14.633 5.410 1.00 0.00 C ATOM 0 H LEU A 14 -6.223 15.808 2.847 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.684 13.200 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.048 15.061 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.491 15.583 4.752 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.769 13.142 5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.908 12.309 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.444 12.324 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.227 13.590 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.483 13.973 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.786 15.319 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.708 15.203 6.216 1.00 0.00 H new ATOM 176 N ARG A 15 -6.652 14.588 6.138 1.00 0.00 N ATOM 177 CA ARG A 15 -7.182 14.290 7.463 1.00 0.00 C ATOM 178 C ARG A 15 -8.151 13.113 7.409 1.00 0.00 C ATOM 179 O ARG A 15 -8.160 12.262 8.299 1.00 0.00 O ATOM 180 CB ARG A 15 -7.887 15.518 8.042 1.00 0.00 C ATOM 181 CG ARG A 15 -9.302 15.709 7.521 1.00 0.00 C ATOM 182 CD ARG A 15 -10.051 16.766 8.319 1.00 0.00 C ATOM 183 NE ARG A 15 -10.583 16.233 9.570 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.621 16.758 10.210 1.00 0.00 C ATOM 185 NH1 ARG A 15 -12.237 17.824 9.719 1.00 0.00 N ATOM 186 NH2 ARG A 15 -12.046 16.216 11.344 1.00 0.00 N ATOM 0 H ARG A 15 -6.571 15.583 5.930 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.346 14.021 8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.917 15.431 9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.300 16.407 7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.268 16.000 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.841 14.763 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.382 17.599 8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.869 17.163 7.717 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.132 15.412 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.914 18.243 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.034 18.225 10.213 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.575 15.395 11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.844 16.620 11.835 1.00 0.00 H new ATOM 200 N TYR A 16 -8.964 13.071 6.360 1.00 0.00 N ATOM 201 CA TYR A 16 -9.939 12.000 6.191 1.00 0.00 C ATOM 202 C TYR A 16 -9.256 10.703 5.766 1.00 0.00 C ATOM 203 O TYR A 16 -9.455 9.654 6.379 1.00 0.00 O ATOM 204 CB TYR A 16 -10.991 12.398 5.155 1.00 0.00 C ATOM 205 CG TYR A 16 -11.892 11.257 4.738 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.449 10.285 3.849 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.186 11.152 5.233 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.270 9.242 3.465 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.013 10.111 4.855 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.550 9.159 3.971 1.00 0.00 C ATOM 211 OH TYR A 16 -14.370 8.121 3.591 1.00 0.00 O ATOM 0 H TYR A 16 -8.967 13.766 5.614 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.428 11.834 7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.603 13.203 5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.488 12.794 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.447 10.346 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.552 11.896 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.911 8.496 2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.016 10.043 5.250 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.200 7.897 2.652 1.00 0.00 H new ATOM 221 N CYS A 17 -8.449 10.785 4.714 1.00 0.00 N ATOM 222 CA CYS A 17 -7.735 9.619 4.206 1.00 0.00 C ATOM 223 C CYS A 17 -7.017 8.886 5.334 1.00 0.00 C ATOM 224 O CYS A 17 -6.838 7.669 5.283 1.00 0.00 O ATOM 225 CB CYS A 17 -6.730 10.039 3.133 1.00 0.00 C ATOM 226 SG CYS A 17 -5.135 10.584 3.788 1.00 0.00 S ATOM 0 H CYS A 17 -8.273 11.646 4.197 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.465 8.941 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.565 9.200 2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.162 10.846 2.541 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.329 11.352 4.819 1.00 0.00 H new ATOM 232 N ASP A 18 -6.606 9.636 6.352 1.00 0.00 N ATOM 233 CA ASP A 18 -5.907 9.058 7.493 1.00 0.00 C ATOM 234 C ASP A 18 -6.666 7.855 8.044 1.00 0.00 C ATOM 235 O ASP A 18 -6.063 6.875 8.482 1.00 0.00 O ATOM 236 CB ASP A 18 -5.724 10.107 8.591 1.00 0.00 C ATOM 237 CG ASP A 18 -4.974 9.565 9.791 1.00 0.00 C ATOM 238 OD1 ASP A 18 -5.548 8.731 10.522 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.813 9.975 10.001 1.00 0.00 O ATOM 0 H ASP A 18 -6.745 10.645 6.409 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.927 8.722 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.184 10.963 8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.701 10.469 8.910 1.00 0.00 H new ATOM 244 N SER A 19 -7.992 7.937 8.019 1.00 0.00 N ATOM 245 CA SER A 19 -8.834 6.857 8.521 1.00 0.00 C ATOM 246 C SER A 19 -8.773 5.646 7.595 1.00 0.00 C ATOM 247 O SER A 19 -8.572 4.517 8.045 1.00 0.00 O ATOM 248 CB SER A 19 -10.282 7.333 8.661 1.00 0.00 C ATOM 249 OG SER A 19 -10.832 7.671 7.399 1.00 0.00 O ATOM 0 H SER A 19 -8.507 8.740 7.657 1.00 0.00 H new ATOM 0 HA SER A 19 -8.459 6.563 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.882 6.550 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.321 8.199 9.322 1.00 0.00 H new ATOM 0 HG SER A 19 -10.324 8.413 7.009 1.00 0.00 H new ATOM 255 N ILE A 20 -8.947 5.889 6.301 1.00 0.00 N ATOM 256 CA ILE A 20 -8.910 4.819 5.311 1.00 0.00 C ATOM 257 C ILE A 20 -7.829 3.798 5.646 1.00 0.00 C ATOM 258 O ILE A 20 -7.949 2.618 5.314 1.00 0.00 O ATOM 259 CB ILE A 20 -8.660 5.370 3.895 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.728 6.403 3.530 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.643 4.237 2.881 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.613 6.915 2.111 1.00 0.00 C ATOM 0 H ILE A 20 -9.115 6.817 5.913 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.885 4.333 5.335 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.687 5.860 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.714 5.959 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.658 7.245 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.465 4.643 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.849 3.534 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.603 3.721 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.402 7.643 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.641 7.388 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.713 6.083 1.415 1.00 0.00 H new ATOM 274 N LEU A 21 -6.772 4.258 6.307 1.00 0.00 N ATOM 275 CA LEU A 21 -5.669 3.384 6.689 1.00 0.00 C ATOM 276 C LEU A 21 -5.987 2.638 7.981 1.00 0.00 C ATOM 277 O LEU A 21 -5.820 1.421 8.064 1.00 0.00 O ATOM 278 CB LEU A 21 -4.384 4.197 6.860 1.00 0.00 C ATOM 279 CG LEU A 21 -3.197 3.455 7.475 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.726 2.342 6.553 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.059 4.422 7.772 1.00 0.00 C ATOM 0 H LEU A 21 -6.656 5.231 6.589 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.526 2.652 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.084 4.574 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.606 5.064 7.482 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.521 3.007 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.881 1.826 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.539 1.634 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.420 2.767 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.223 3.876 8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.737 4.900 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.402 5.183 8.473 1.00 0.00 H new ATOM 293 N ARG A 22 -6.449 3.375 8.985 1.00 0.00 N ATOM 294 CA ARG A 22 -6.792 2.783 10.273 1.00 0.00 C ATOM 295 C ARG A 22 -7.867 1.712 10.109 1.00 0.00 C ATOM 296 O ARG A 22 -7.917 0.749 10.874 1.00 0.00 O ATOM 297 CB ARG A 22 -7.277 3.863 11.242 1.00 0.00 C ATOM 298 CG ARG A 22 -8.776 4.104 11.185 1.00 0.00 C ATOM 299 CD ARG A 22 -9.232 5.044 12.290 1.00 0.00 C ATOM 300 NE ARG A 22 -10.686 5.070 12.423 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.346 6.004 13.098 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.685 6.983 13.700 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.670 5.959 13.174 1.00 0.00 N ATOM 0 H ARG A 22 -6.595 4.383 8.932 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.896 2.315 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.002 3.578 12.257 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.759 4.796 11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.041 4.525 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.302 3.154 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.787 4.734 13.236 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.869 6.051 12.082 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.224 4.330 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.667 7.020 13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.194 7.699 14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.182 5.206 12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.176 6.677 13.693 1.00 0.00 H new ATOM 317 N GLU A 23 -8.723 1.888 9.108 1.00 0.00 N ATOM 318 CA GLU A 23 -9.797 0.937 8.847 1.00 0.00 C ATOM 319 C GLU A 23 -9.257 -0.324 8.179 1.00 0.00 C ATOM 320 O GLU A 23 -9.529 -1.439 8.622 1.00 0.00 O ATOM 321 CB GLU A 23 -10.870 1.576 7.962 1.00 0.00 C ATOM 322 CG GLU A 23 -11.768 0.566 7.269 1.00 0.00 C ATOM 323 CD GLU A 23 -12.798 -0.038 8.204 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.398 -0.569 9.262 1.00 0.00 O ATOM 325 OE2 GLU A 23 -14.002 0.019 7.879 1.00 0.00 O ATOM 0 H GLU A 23 -8.694 2.679 8.465 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.242 0.659 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.485 2.238 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.385 2.196 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.278 1.050 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.155 -0.230 6.847 1.00 0.00 H new ATOM 332 N MET A 24 -8.489 -0.137 7.110 1.00 0.00 N ATOM 333 CA MET A 24 -7.909 -1.260 6.381 1.00 0.00 C ATOM 334 C MET A 24 -7.100 -2.154 7.314 1.00 0.00 C ATOM 335 O MET A 24 -6.948 -3.351 7.067 1.00 0.00 O ATOM 336 CB MET A 24 -7.020 -0.752 5.244 1.00 0.00 C ATOM 337 CG MET A 24 -7.798 -0.314 4.013 1.00 0.00 C ATOM 338 SD MET A 24 -6.800 -0.346 2.513 1.00 0.00 S ATOM 339 CE MET A 24 -5.454 0.740 2.979 1.00 0.00 C ATOM 0 H MET A 24 -8.254 0.780 6.730 1.00 0.00 H new ATOM 0 HA MET A 24 -8.724 -1.848 5.960 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.426 0.087 5.606 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.321 -1.539 4.961 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.662 -0.965 3.884 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.180 0.695 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.857 0.978 2.098 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.858 1.659 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.826 0.244 3.719 1.00 0.00 H new ATOM 349 N LEU A 25 -6.581 -1.567 8.387 1.00 0.00 N ATOM 350 CA LEU A 25 -5.786 -2.311 9.358 1.00 0.00 C ATOM 351 C LEU A 25 -6.677 -2.934 10.427 1.00 0.00 C ATOM 352 O LEU A 25 -6.283 -3.051 11.588 1.00 0.00 O ATOM 353 CB LEU A 25 -4.752 -1.392 10.011 1.00 0.00 C ATOM 354 CG LEU A 25 -3.415 -1.260 9.282 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.689 0.001 9.722 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.551 -2.489 9.526 1.00 0.00 C ATOM 0 H LEU A 25 -6.697 -0.578 8.607 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.269 -3.112 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.189 -0.398 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.558 -1.756 11.020 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.612 -1.186 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.739 0.078 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.303 0.872 9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.503 -0.042 10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.603 -2.378 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.362 -2.595 10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.068 -3.376 9.159 1.00 0.00 H new ATOM 368 N SER A 26 -7.880 -3.336 10.028 1.00 0.00 N ATOM 369 CA SER A 26 -8.828 -3.947 10.953 1.00 0.00 C ATOM 370 C SER A 26 -8.795 -5.468 10.838 1.00 0.00 C ATOM 371 O SER A 26 -8.418 -6.017 9.803 1.00 0.00 O ATOM 372 CB SER A 26 -10.243 -3.434 10.679 1.00 0.00 C ATOM 373 OG SER A 26 -11.205 -4.176 11.408 1.00 0.00 O ATOM 0 H SER A 26 -8.221 -3.250 9.071 1.00 0.00 H new ATOM 0 HA SER A 26 -8.539 -3.670 11.967 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.310 -2.380 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.458 -3.503 9.613 1.00 0.00 H new ATOM 0 HG SER A 26 -12.101 -3.827 11.217 1.00 0.00 H new ATOM 379 N LYS A 27 -9.192 -6.144 11.911 1.00 0.00 N ATOM 380 CA LYS A 27 -9.210 -7.602 11.934 1.00 0.00 C ATOM 381 C LYS A 27 -9.977 -8.155 10.737 1.00 0.00 C ATOM 382 O LYS A 27 -9.485 -9.027 10.020 1.00 0.00 O ATOM 383 CB LYS A 27 -9.841 -8.104 13.234 1.00 0.00 C ATOM 384 CG LYS A 27 -9.864 -9.619 13.353 1.00 0.00 C ATOM 385 CD LYS A 27 -9.824 -10.064 14.805 1.00 0.00 C ATOM 386 CE LYS A 27 -10.318 -11.494 14.963 1.00 0.00 C ATOM 387 NZ LYS A 27 -11.752 -11.630 14.583 1.00 0.00 N ATOM 0 H LYS A 27 -9.506 -5.705 12.777 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.180 -7.955 11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.291 -7.690 14.079 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.861 -7.727 13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.764 -10.009 12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.012 -10.040 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.804 -9.986 15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.439 -9.397 15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.714 -12.158 14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.184 -11.812 15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.157 -12.467 15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.273 -10.781 14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.829 -11.737 13.551 1.00 0.00 H new ATOM 401 N LYS A 28 -11.184 -7.642 10.525 1.00 0.00 N ATOM 402 CA LYS A 28 -12.019 -8.082 9.414 1.00 0.00 C ATOM 403 C LYS A 28 -11.222 -8.114 8.114 1.00 0.00 C ATOM 404 O LYS A 28 -11.082 -9.163 7.485 1.00 0.00 O ATOM 405 CB LYS A 28 -13.228 -7.157 9.260 1.00 0.00 C ATOM 406 CG LYS A 28 -14.318 -7.724 8.367 1.00 0.00 C ATOM 407 CD LYS A 28 -15.461 -6.739 8.188 1.00 0.00 C ATOM 408 CE LYS A 28 -15.217 -5.811 7.008 1.00 0.00 C ATOM 409 NZ LYS A 28 -15.727 -6.388 5.734 1.00 0.00 N ATOM 0 H LYS A 28 -11.606 -6.920 11.109 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.367 -9.092 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.647 -6.953 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.895 -6.203 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.898 -7.976 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.698 -8.650 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.393 -7.284 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.581 -6.150 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.703 -4.853 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.149 -5.614 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.172 -5.638 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.937 -6.804 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.429 -7.126 5.944 1.00 0.00 H new ATOM 423 N HIS A 29 -10.699 -6.958 7.717 1.00 0.00 N ATOM 424 CA HIS A 29 -9.913 -6.854 6.492 1.00 0.00 C ATOM 425 C HIS A 29 -8.632 -7.676 6.597 1.00 0.00 C ATOM 426 O HIS A 29 -8.145 -8.214 5.604 1.00 0.00 O ATOM 427 CB HIS A 29 -9.573 -5.392 6.202 1.00 0.00 C ATOM 428 CG HIS A 29 -10.776 -4.530 5.978 1.00 0.00 C ATOM 429 ND1 HIS A 29 -11.869 -4.938 5.244 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.056 -3.274 6.399 1.00 0.00 C ATOM 431 CE1 HIS A 29 -12.769 -3.971 5.221 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.300 -2.950 5.915 1.00 0.00 N ATOM 0 H HIS A 29 -10.805 -6.080 8.226 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.511 -7.250 5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.998 -4.989 7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.933 -5.344 5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.420 -2.644 7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.725 -4.009 4.720 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.783 -2.065 6.067 1.00 0.00 H new ATOM 440 N ALA A 30 -8.092 -7.769 7.808 1.00 0.00 N ATOM 441 CA ALA A 30 -6.869 -8.526 8.043 1.00 0.00 C ATOM 442 C ALA A 30 -6.828 -9.783 7.181 1.00 0.00 C ATOM 443 O ALA A 30 -5.819 -10.073 6.538 1.00 0.00 O ATOM 444 CB ALA A 30 -6.748 -8.889 9.516 1.00 0.00 C ATOM 0 H ALA A 30 -8.483 -7.329 8.641 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.023 -7.898 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.830 -9.454 9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.723 -7.978 10.114 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.604 -9.495 9.813 1.00 0.00 H new ATOM 450 N ALA A 31 -7.930 -10.526 7.173 1.00 0.00 N ATOM 451 CA ALA A 31 -8.019 -11.751 6.389 1.00 0.00 C ATOM 452 C ALA A 31 -7.410 -11.563 5.004 1.00 0.00 C ATOM 453 O ALA A 31 -6.573 -12.355 4.570 1.00 0.00 O ATOM 454 CB ALA A 31 -9.468 -12.200 6.274 1.00 0.00 C ATOM 0 H ALA A 31 -8.773 -10.301 7.701 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.450 -12.525 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.519 -13.116 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.872 -12.385 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.052 -11.421 5.784 1.00 0.00 H new ATOM 460 N TYR A 32 -7.835 -10.510 4.314 1.00 0.00 N ATOM 461 CA TYR A 32 -7.334 -10.219 2.976 1.00 0.00 C ATOM 462 C TYR A 32 -6.570 -8.899 2.956 1.00 0.00 C ATOM 463 O TYR A 32 -6.433 -8.264 1.910 1.00 0.00 O ATOM 464 CB TYR A 32 -8.489 -10.169 1.975 1.00 0.00 C ATOM 465 CG TYR A 32 -9.726 -9.486 2.513 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.852 -8.103 2.476 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.770 -10.224 3.058 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.981 -7.475 2.966 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.903 -9.604 3.550 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.003 -8.230 3.502 1.00 0.00 C ATOM 471 OH TYR A 32 -13.129 -7.608 3.991 1.00 0.00 O ATOM 0 H TYR A 32 -8.526 -9.844 4.660 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.650 -11.018 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.158 -9.648 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.746 -11.186 1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.054 -7.508 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.695 -11.301 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.063 -6.399 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.705 -10.193 3.970 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.877 -6.759 4.411 1.00 0.00 H new ATOM 481 N ALA A 33 -6.074 -8.492 4.120 1.00 0.00 N ATOM 482 CA ALA A 33 -5.322 -7.249 4.236 1.00 0.00 C ATOM 483 C ALA A 33 -3.986 -7.479 4.934 1.00 0.00 C ATOM 484 O ALA A 33 -3.246 -6.533 5.206 1.00 0.00 O ATOM 485 CB ALA A 33 -6.138 -6.206 4.986 1.00 0.00 C ATOM 0 H ALA A 33 -6.179 -9.005 4.995 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.119 -6.881 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.564 -5.283 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.065 -6.012 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.371 -6.575 5.985 1.00 0.00 H new ATOM 491 N TRP A 34 -3.684 -8.740 5.222 1.00 0.00 N ATOM 492 CA TRP A 34 -2.436 -9.094 5.889 1.00 0.00 C ATOM 493 C TRP A 34 -1.310 -9.274 4.878 1.00 0.00 C ATOM 494 O TRP A 34 -0.137 -9.030 5.163 1.00 0.00 O ATOM 495 CB TRP A 34 -2.616 -10.375 6.705 1.00 0.00 C ATOM 496 CG TRP A 34 -2.765 -11.602 5.858 1.00 0.00 C ATOM 497 CD1 TRP A 34 -3.911 -12.312 5.639 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.733 -12.265 5.120 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.653 -13.376 4.808 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.325 -13.369 4.475 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.367 -12.031 4.938 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.596 -14.236 3.665 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.355 -12.893 4.134 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.260 -13.984 3.505 1.00 0.00 C ATOM 0 H TRP A 34 -4.286 -9.534 5.004 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.168 -8.278 6.561 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.758 -10.500 7.366 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.495 -10.272 7.341 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -4.878 -12.073 6.057 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.340 -14.060 4.491 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.116 -11.192 5.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.068 -15.078 3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.411 -12.723 3.988 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.331 -14.639 2.882 1.00 0.00 H new ATOM 515 N PRO A 35 -1.669 -9.713 3.663 1.00 0.00 N ATOM 516 CA PRO A 35 -0.613 -9.898 2.663 1.00 0.00 C ATOM 517 C PRO A 35 0.320 -8.696 2.576 1.00 0.00 C ATOM 518 O PRO A 35 1.450 -8.808 2.099 1.00 0.00 O ATOM 519 CB PRO A 35 -1.389 -10.069 1.355 1.00 0.00 C ATOM 520 CG PRO A 35 -2.718 -10.600 1.769 1.00 0.00 C ATOM 521 CD PRO A 35 -3.001 -10.056 3.135 1.00 0.00 C ATOM 0 HA PRO A 35 0.033 -10.742 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.489 -9.121 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.880 -10.758 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.492 -10.295 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.711 -11.690 1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.650 -9.182 3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.502 -10.793 3.763 1.00 0.00 H new ATOM 529 N PHE A 36 -0.158 -7.546 3.039 1.00 0.00 N ATOM 530 CA PHE A 36 0.634 -6.322 3.013 1.00 0.00 C ATOM 531 C PHE A 36 1.184 -6.000 4.399 1.00 0.00 C ATOM 532 O PHE A 36 2.193 -5.309 4.534 1.00 0.00 O ATOM 533 CB PHE A 36 -0.212 -5.153 2.503 1.00 0.00 C ATOM 534 CG PHE A 36 -1.031 -5.490 1.290 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.173 -6.267 1.403 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.661 -5.029 0.038 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.928 -6.579 0.289 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.412 -5.338 -1.081 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.548 -6.113 -0.954 1.00 0.00 C ATOM 0 H PHE A 36 -1.091 -7.436 3.437 1.00 0.00 H new ATOM 0 HA PHE A 36 1.474 -6.477 2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.877 -4.822 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.445 -4.316 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.476 -6.633 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.225 -4.421 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.815 -7.187 0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.111 -4.974 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.138 -6.354 -1.826 1.00 0.00 H new ATOM 549 N TYR A 37 0.512 -6.506 5.427 1.00 0.00 N ATOM 550 CA TYR A 37 0.930 -6.271 6.804 1.00 0.00 C ATOM 551 C TYR A 37 2.451 -6.308 6.925 1.00 0.00 C ATOM 552 O TYR A 37 3.073 -5.349 7.383 1.00 0.00 O ATOM 553 CB TYR A 37 0.308 -7.314 7.734 1.00 0.00 C ATOM 554 CG TYR A 37 -1.031 -6.899 8.300 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.911 -6.122 7.556 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.417 -7.283 9.578 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.135 -5.739 8.069 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.639 -6.906 10.099 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.495 -6.134 9.341 1.00 0.00 C ATOM 560 OH TYR A 37 -4.714 -5.756 9.856 1.00 0.00 O ATOM 0 H TYR A 37 -0.325 -7.082 5.333 1.00 0.00 H new ATOM 0 HA TYR A 37 0.584 -5.280 7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.188 -8.250 7.188 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.995 -7.511 8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.633 -5.812 6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.750 -7.887 10.175 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.806 -5.134 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.923 -7.214 11.094 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.813 -6.118 10.761 1.00 0.00 H new ATOM 570 N LYS A 38 3.044 -7.422 6.511 1.00 0.00 N ATOM 571 CA LYS A 38 4.491 -7.586 6.570 1.00 0.00 C ATOM 572 C LYS A 38 5.112 -7.440 5.185 1.00 0.00 C ATOM 573 O LYS A 38 4.475 -7.693 4.162 1.00 0.00 O ATOM 574 CB LYS A 38 4.846 -8.954 7.158 1.00 0.00 C ATOM 575 CG LYS A 38 4.612 -9.052 8.655 1.00 0.00 C ATOM 576 CD LYS A 38 3.160 -9.365 8.973 1.00 0.00 C ATOM 577 CE LYS A 38 2.906 -10.864 9.004 1.00 0.00 C ATOM 578 NZ LYS A 38 3.220 -11.453 10.335 1.00 0.00 N ATOM 0 H LYS A 38 2.544 -8.226 6.131 1.00 0.00 H new ATOM 0 HA LYS A 38 4.894 -6.804 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.256 -9.720 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.894 -9.170 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.253 -9.828 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.895 -8.113 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.896 -8.930 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.515 -8.901 8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.863 -11.061 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.512 -11.351 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.034 -12.476 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.222 -11.288 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.624 -11.007 11.061 1.00 0.00 H new ATOM 592 N PRO A 39 6.386 -7.022 5.148 1.00 0.00 N ATOM 593 CA PRO A 39 7.122 -6.834 3.894 1.00 0.00 C ATOM 594 C PRO A 39 7.432 -8.156 3.200 1.00 0.00 C ATOM 595 O PRO A 39 7.144 -9.229 3.730 1.00 0.00 O ATOM 596 CB PRO A 39 8.415 -6.148 4.340 1.00 0.00 C ATOM 597 CG PRO A 39 8.593 -6.562 5.760 1.00 0.00 C ATOM 598 CD PRO A 39 7.207 -6.701 6.328 1.00 0.00 C ATOM 0 HA PRO A 39 6.548 -6.259 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.261 -6.461 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.340 -5.064 4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.138 -7.504 5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.169 -5.820 6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.157 -7.490 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.876 -5.781 6.810 1.00 0.00 H new ATOM 606 N VAL A 40 8.022 -8.072 2.012 1.00 0.00 N ATOM 607 CA VAL A 40 8.373 -9.262 1.246 1.00 0.00 C ATOM 608 C VAL A 40 9.878 -9.507 1.270 1.00 0.00 C ATOM 609 O VAL A 40 10.604 -9.057 0.384 1.00 0.00 O ATOM 610 CB VAL A 40 7.906 -9.146 -0.217 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.368 -10.351 -1.022 1.00 0.00 C ATOM 612 CG2 VAL A 40 6.394 -8.999 -0.283 1.00 0.00 C ATOM 0 H VAL A 40 8.267 -7.192 1.559 1.00 0.00 H new ATOM 0 HA VAL A 40 7.863 -10.103 1.716 1.00 0.00 H new ATOM 0 HB VAL A 40 8.354 -8.254 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.029 -10.252 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.456 -10.406 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.950 -11.260 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.081 -8.918 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.923 -9.871 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.092 -8.102 0.257 1.00 0.00 H new ATOM 622 N ASP A 41 10.339 -10.222 2.290 1.00 0.00 N ATOM 623 CA ASP A 41 11.758 -10.529 2.429 1.00 0.00 C ATOM 624 C ASP A 41 12.192 -11.571 1.403 1.00 0.00 C ATOM 625 O ASP A 41 12.209 -12.768 1.688 1.00 0.00 O ATOM 626 CB ASP A 41 12.057 -11.032 3.842 1.00 0.00 C ATOM 627 CG ASP A 41 13.518 -10.875 4.216 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.380 -11.352 3.449 1.00 0.00 O ATOM 629 OD2 ASP A 41 13.799 -10.278 5.276 1.00 0.00 O ATOM 0 H ASP A 41 9.751 -10.600 3.033 1.00 0.00 H new ATOM 0 HA ASP A 41 12.321 -9.613 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.441 -10.486 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.777 -12.083 3.917 1.00 0.00 H new ATOM 634 N ALA A 42 12.541 -11.107 0.207 1.00 0.00 N ATOM 635 CA ALA A 42 12.976 -11.998 -0.861 1.00 0.00 C ATOM 636 C ALA A 42 14.021 -12.988 -0.358 1.00 0.00 C ATOM 637 O ALA A 42 14.001 -14.163 -0.723 1.00 0.00 O ATOM 638 CB ALA A 42 13.527 -11.193 -2.028 1.00 0.00 C ATOM 0 H ALA A 42 12.531 -10.119 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 42 12.110 -12.566 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.848 -11.871 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.751 -10.530 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.377 -10.600 -1.691 1.00 0.00 H new ATOM 751 N TYR A 50 12.720 -10.615 -6.955 1.00 0.00 N ATOM 752 CA TYR A 50 11.440 -9.975 -6.676 1.00 0.00 C ATOM 753 C TYR A 50 11.519 -8.471 -6.917 1.00 0.00 C ATOM 754 O TYR A 50 10.629 -7.881 -7.532 1.00 0.00 O ATOM 755 CB TYR A 50 11.012 -10.250 -5.234 1.00 0.00 C ATOM 756 CG TYR A 50 9.842 -9.406 -4.778 1.00 0.00 C ATOM 757 CD1 TYR A 50 10.043 -8.155 -4.210 1.00 0.00 C ATOM 758 CD2 TYR A 50 8.537 -9.861 -4.917 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.978 -7.381 -3.792 1.00 0.00 C ATOM 760 CE2 TYR A 50 7.465 -9.094 -4.503 1.00 0.00 C ATOM 761 CZ TYR A 50 7.691 -7.855 -3.940 1.00 0.00 C ATOM 762 OH TYR A 50 6.627 -7.087 -3.526 1.00 0.00 O ATOM 0 HA TYR A 50 10.697 -10.395 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.749 -11.303 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.859 -10.070 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.049 -7.781 -4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.357 -10.831 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.152 -6.410 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.456 -9.462 -4.619 1.00 0.00 H new ATOM 0 HH TYR A 50 5.790 -7.565 -3.702 1.00 0.00 H new ATOM 772 N HIS A 51 12.592 -7.855 -6.429 1.00 0.00 N ATOM 773 CA HIS A 51 12.789 -6.420 -6.592 1.00 0.00 C ATOM 774 C HIS A 51 13.047 -6.069 -8.054 1.00 0.00 C ATOM 775 O HIS A 51 12.444 -5.142 -8.596 1.00 0.00 O ATOM 776 CB HIS A 51 13.957 -5.943 -5.728 1.00 0.00 C ATOM 777 CG HIS A 51 13.814 -6.298 -4.280 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.089 -5.537 -3.387 1.00 0.00 N ATOM 779 CD2 HIS A 51 14.307 -7.340 -3.570 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.144 -6.095 -2.191 1.00 0.00 C ATOM 781 NE2 HIS A 51 13.877 -7.191 -2.275 1.00 0.00 N ATOM 0 H HIS A 51 13.337 -8.328 -5.918 1.00 0.00 H new ATOM 0 HA HIS A 51 11.878 -5.915 -6.271 1.00 0.00 H new ATOM 0 HB2 HIS A 51 14.882 -6.376 -6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.049 -4.861 -5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.924 -8.140 -3.952 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.670 -5.719 -1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 51 14.089 -7.823 -1.503 1.00 0.00 H new ATOM 789 N ASP A 52 13.946 -6.815 -8.687 1.00 0.00 N ATOM 790 CA ASP A 52 14.283 -6.583 -10.087 1.00 0.00 C ATOM 791 C ASP A 52 13.052 -6.154 -10.879 1.00 0.00 C ATOM 792 O ASP A 52 13.123 -5.253 -11.715 1.00 0.00 O ATOM 793 CB ASP A 52 14.888 -7.845 -10.704 1.00 0.00 C ATOM 794 CG ASP A 52 16.356 -8.010 -10.363 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.709 -7.866 -9.174 1.00 0.00 O ATOM 796 OD2 ASP A 52 17.153 -8.282 -11.286 1.00 0.00 O ATOM 0 H ASP A 52 14.454 -7.585 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 52 15.018 -5.779 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.336 -8.717 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.772 -7.808 -11.787 1.00 0.00 H new ATOM 801 N ILE A 53 11.926 -6.806 -10.610 1.00 0.00 N ATOM 802 CA ILE A 53 10.679 -6.492 -11.297 1.00 0.00 C ATOM 803 C ILE A 53 9.923 -5.377 -10.583 1.00 0.00 C ATOM 804 O ILE A 53 9.318 -4.516 -11.222 1.00 0.00 O ATOM 805 CB ILE A 53 9.768 -7.729 -11.403 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.475 -8.846 -12.172 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.454 -7.362 -12.078 1.00 0.00 C ATOM 808 CD1 ILE A 53 11.282 -9.771 -11.288 1.00 0.00 C ATOM 0 H ILE A 53 11.851 -7.555 -9.921 1.00 0.00 H new ATOM 0 HA ILE A 53 10.947 -6.161 -12.300 1.00 0.00 H new ATOM 0 HB ILE A 53 9.550 -8.089 -10.398 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.731 -9.431 -12.713 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.135 -8.402 -12.917 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.820 -8.246 -12.146 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.946 -6.596 -11.493 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.653 -6.981 -13.080 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.755 -10.538 -11.900 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.049 -9.198 -10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.624 -10.244 -10.559 1.00 0.00 H new ATOM 820 N ILE A 54 9.965 -5.398 -9.255 1.00 0.00 N ATOM 821 CA ILE A 54 9.286 -4.386 -8.454 1.00 0.00 C ATOM 822 C ILE A 54 10.168 -3.158 -8.258 1.00 0.00 C ATOM 823 O ILE A 54 10.937 -3.078 -7.300 1.00 0.00 O ATOM 824 CB ILE A 54 8.881 -4.939 -7.075 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.943 -6.137 -7.237 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.220 -3.851 -6.242 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.709 -5.832 -8.057 1.00 0.00 C ATOM 0 H ILE A 54 10.461 -6.104 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 54 8.387 -4.101 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 54 9.779 -5.273 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.489 -6.955 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.637 -6.484 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.939 -4.257 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.918 -3.025 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.329 -3.490 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.090 -6.727 -8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.140 -5.036 -7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.006 -5.513 -9.056 1.00 0.00 H new ATOM 839 N LYS A 55 10.050 -2.200 -9.171 1.00 0.00 N ATOM 840 CA LYS A 55 10.834 -0.972 -9.098 1.00 0.00 C ATOM 841 C LYS A 55 11.012 -0.526 -7.651 1.00 0.00 C ATOM 842 O LYS A 55 12.133 -0.461 -7.144 1.00 0.00 O ATOM 843 CB LYS A 55 10.157 0.138 -9.906 1.00 0.00 C ATOM 844 CG LYS A 55 10.239 -0.067 -11.409 1.00 0.00 C ATOM 845 CD LYS A 55 11.563 0.429 -11.967 1.00 0.00 C ATOM 846 CE LYS A 55 11.920 -0.280 -13.265 1.00 0.00 C ATOM 847 NZ LYS A 55 12.886 0.509 -14.079 1.00 0.00 N ATOM 0 H LYS A 55 9.419 -2.250 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 55 11.818 -1.173 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.109 0.202 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.617 1.093 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.119 -1.125 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.418 0.460 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.506 1.503 -12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.352 0.267 -11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.348 -1.257 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.014 -0.455 -13.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.104 -0.007 -14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.468 1.432 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.761 0.654 -13.535 1.00 0.00 H new ATOM 861 N HIS A 56 9.901 -0.220 -6.989 1.00 0.00 N ATOM 862 CA HIS A 56 9.935 0.218 -5.598 1.00 0.00 C ATOM 863 C HIS A 56 8.787 -0.399 -4.806 1.00 0.00 C ATOM 864 O HIS A 56 7.629 0.002 -4.929 1.00 0.00 O ATOM 865 CB HIS A 56 9.863 1.743 -5.520 1.00 0.00 C ATOM 866 CG HIS A 56 10.695 2.436 -6.555 1.00 0.00 C ATOM 867 ND1 HIS A 56 10.435 2.725 -7.851 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 11.962 2.918 -6.303 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 11.538 3.371 -8.353 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 12.445 3.476 -7.398 1.00 0.00 N flip ATOM 0 H HIS A 56 8.966 -0.267 -7.393 1.00 0.00 H new ATOM 0 HA HIS A 56 10.875 -0.116 -5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.825 2.056 -5.631 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.188 2.064 -4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.479 2.850 -5.357 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.646 3.734 -9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.362 3.913 -7.491 1.00 0.00 H new ATOM 878 N PRO A 57 9.111 -1.399 -3.972 1.00 0.00 N ATOM 879 CA PRO A 57 8.121 -2.092 -3.144 1.00 0.00 C ATOM 880 C PRO A 57 7.577 -1.207 -2.027 1.00 0.00 C ATOM 881 O PRO A 57 8.336 -0.525 -1.338 1.00 0.00 O ATOM 882 CB PRO A 57 8.908 -3.267 -2.559 1.00 0.00 C ATOM 883 CG PRO A 57 10.327 -2.815 -2.569 1.00 0.00 C ATOM 884 CD PRO A 57 10.471 -1.928 -3.774 1.00 0.00 C ATOM 0 HA PRO A 57 7.246 -2.392 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.575 -3.503 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.776 -4.169 -3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.570 -2.274 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.007 -3.665 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.192 -1.129 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.816 -2.486 -4.645 1.00 0.00 H new ATOM 892 N MET A 58 6.260 -1.223 -1.854 1.00 0.00 N ATOM 893 CA MET A 58 5.616 -0.423 -0.819 1.00 0.00 C ATOM 894 C MET A 58 4.835 -1.309 0.147 1.00 0.00 C ATOM 895 O MET A 58 4.365 -2.384 -0.225 1.00 0.00 O ATOM 896 CB MET A 58 4.680 0.610 -1.451 1.00 0.00 C ATOM 897 CG MET A 58 3.871 1.400 -0.435 1.00 0.00 C ATOM 898 SD MET A 58 4.861 2.629 0.437 1.00 0.00 S ATOM 899 CE MET A 58 5.485 3.596 -0.935 1.00 0.00 C ATOM 0 H MET A 58 5.618 -1.781 -2.417 1.00 0.00 H new ATOM 0 HA MET A 58 6.395 0.096 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.270 1.303 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.997 0.101 -2.131 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.045 1.898 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.433 0.712 0.288 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.888 4.538 -0.563 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.273 3.040 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.675 3.800 -1.635 1.00 0.00 H new ATOM 909 N ASP A 59 4.702 -0.851 1.387 1.00 0.00 N ATOM 910 CA ASP A 59 3.978 -1.602 2.405 1.00 0.00 C ATOM 911 C ASP A 59 3.225 -0.661 3.342 1.00 0.00 C ATOM 912 O ASP A 59 3.578 0.512 3.476 1.00 0.00 O ATOM 913 CB ASP A 59 4.943 -2.475 3.208 1.00 0.00 C ATOM 914 CG ASP A 59 6.207 -1.734 3.598 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.978 -1.358 2.690 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.424 -1.530 4.810 1.00 0.00 O ATOM 0 H ASP A 59 5.086 0.037 1.711 1.00 0.00 H new ATOM 0 HA ASP A 59 3.253 -2.242 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.442 -2.832 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.207 -3.354 2.621 1.00 0.00 H new ATOM 921 N LEU A 60 2.187 -1.182 3.986 1.00 0.00 N ATOM 922 CA LEU A 60 1.383 -0.389 4.909 1.00 0.00 C ATOM 923 C LEU A 60 2.266 0.305 5.942 1.00 0.00 C ATOM 924 O LEU A 60 2.128 1.504 6.186 1.00 0.00 O ATOM 925 CB LEU A 60 0.356 -1.276 5.614 1.00 0.00 C ATOM 926 CG LEU A 60 -0.877 -1.657 4.793 1.00 0.00 C ATOM 927 CD1 LEU A 60 -1.641 -2.785 5.470 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.777 -0.448 4.590 1.00 0.00 C ATOM 0 H LEU A 60 1.882 -2.150 3.886 1.00 0.00 H new ATOM 0 HA LEU A 60 0.860 0.374 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.854 -2.192 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.023 -0.765 6.517 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.545 -2.006 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.515 -3.043 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.995 -3.658 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.962 -2.464 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.649 -0.738 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.101 -0.069 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.227 0.330 4.061 1.00 0.00 H new ATOM 940 N SER A 61 3.174 -0.457 6.544 1.00 0.00 N ATOM 941 CA SER A 61 4.078 0.085 7.552 1.00 0.00 C ATOM 942 C SER A 61 4.629 1.439 7.116 1.00 0.00 C ATOM 943 O SER A 61 4.506 2.433 7.833 1.00 0.00 O ATOM 944 CB SER A 61 5.231 -0.889 7.809 1.00 0.00 C ATOM 945 OG SER A 61 6.006 -0.478 8.921 1.00 0.00 O ATOM 0 H SER A 61 3.303 -1.450 6.351 1.00 0.00 H new ATOM 0 HA SER A 61 3.514 0.222 8.475 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.834 -1.888 7.988 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.864 -0.951 6.923 1.00 0.00 H new ATOM 0 HG SER A 61 6.735 -1.117 9.066 1.00 0.00 H new ATOM 951 N THR A 62 5.238 1.471 5.935 1.00 0.00 N ATOM 952 CA THR A 62 5.809 2.701 5.402 1.00 0.00 C ATOM 953 C THR A 62 4.803 3.845 5.462 1.00 0.00 C ATOM 954 O THR A 62 5.121 4.942 5.923 1.00 0.00 O ATOM 955 CB THR A 62 6.277 2.520 3.946 1.00 0.00 C ATOM 956 OG1 THR A 62 7.167 1.401 3.853 1.00 0.00 O ATOM 957 CG2 THR A 62 6.976 3.773 3.442 1.00 0.00 C ATOM 0 H THR A 62 5.348 0.658 5.329 1.00 0.00 H new ATOM 0 HA THR A 62 6.670 2.944 6.024 1.00 0.00 H new ATOM 0 HB THR A 62 5.399 2.339 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.459 1.291 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.297 3.621 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.287 4.617 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.845 3.981 4.066 1.00 0.00 H new ATOM 965 N VAL A 63 3.588 3.583 4.993 1.00 0.00 N ATOM 966 CA VAL A 63 2.534 4.591 4.994 1.00 0.00 C ATOM 967 C VAL A 63 2.176 5.010 6.416 1.00 0.00 C ATOM 968 O VAL A 63 2.245 6.189 6.764 1.00 0.00 O ATOM 969 CB VAL A 63 1.265 4.077 4.288 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.159 5.119 4.353 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.573 3.703 2.846 1.00 0.00 C ATOM 0 H VAL A 63 3.308 2.681 4.607 1.00 0.00 H new ATOM 0 HA VAL A 63 2.920 5.453 4.450 1.00 0.00 H new ATOM 0 HB VAL A 63 0.919 3.182 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.730 4.738 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.078 5.333 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.491 6.033 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.666 3.342 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.944 4.579 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.331 2.920 2.827 1.00 0.00 H new ATOM 981 N LYS A 64 1.795 4.036 7.236 1.00 0.00 N ATOM 982 CA LYS A 64 1.427 4.302 8.621 1.00 0.00 C ATOM 983 C LYS A 64 2.489 5.152 9.312 1.00 0.00 C ATOM 984 O LYS A 64 2.170 6.126 9.995 1.00 0.00 O ATOM 985 CB LYS A 64 1.238 2.988 9.382 1.00 0.00 C ATOM 986 CG LYS A 64 1.019 3.173 10.873 1.00 0.00 C ATOM 987 CD LYS A 64 0.177 2.051 11.457 1.00 0.00 C ATOM 988 CE LYS A 64 1.032 0.849 11.829 1.00 0.00 C ATOM 989 NZ LYS A 64 1.165 -0.108 10.695 1.00 0.00 N ATOM 0 H LYS A 64 1.733 3.055 6.965 1.00 0.00 H new ATOM 0 HA LYS A 64 0.487 4.854 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.385 2.454 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.115 2.359 9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.983 3.208 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.528 4.129 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.350 2.412 12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.582 1.750 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.021 1.188 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.590 0.339 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.712 -0.937 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.220 -0.412 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.656 0.356 9.905 1.00 0.00 H new ATOM 1003 N ARG A 65 3.751 4.779 9.128 1.00 0.00 N ATOM 1004 CA ARG A 65 4.859 5.508 9.734 1.00 0.00 C ATOM 1005 C ARG A 65 4.859 6.967 9.287 1.00 0.00 C ATOM 1006 O ARG A 65 4.966 7.879 10.108 1.00 0.00 O ATOM 1007 CB ARG A 65 6.191 4.851 9.365 1.00 0.00 C ATOM 1008 CG ARG A 65 6.542 3.655 10.235 1.00 0.00 C ATOM 1009 CD ARG A 65 7.998 3.251 10.066 1.00 0.00 C ATOM 1010 NE ARG A 65 8.433 2.324 11.107 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.852 2.710 12.307 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.891 3.999 12.616 1.00 0.00 N ATOM 1013 NH2 ARG A 65 9.231 1.807 13.201 1.00 0.00 N ATOM 0 H ARG A 65 4.032 3.977 8.564 1.00 0.00 H new ATOM 0 HA ARG A 65 4.733 5.477 10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.153 4.533 8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.986 5.592 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.349 3.895 11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.898 2.814 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.135 2.788 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.626 4.141 10.088 1.00 0.00 H new ATOM 0 HE ARG A 65 8.414 1.325 10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.599 4.697 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.213 4.293 13.538 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.201 0.815 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.553 2.105 14.122 1.00 0.00 H new ATOM 1027 N LYS A 66 4.738 7.181 7.982 1.00 0.00 N ATOM 1028 CA LYS A 66 4.723 8.528 7.425 1.00 0.00 C ATOM 1029 C LYS A 66 3.511 9.309 7.923 1.00 0.00 C ATOM 1030 O LYS A 66 3.652 10.362 8.545 1.00 0.00 O ATOM 1031 CB LYS A 66 4.712 8.470 5.896 1.00 0.00 C ATOM 1032 CG LYS A 66 6.068 8.150 5.290 1.00 0.00 C ATOM 1033 CD LYS A 66 5.954 7.822 3.810 1.00 0.00 C ATOM 1034 CE LYS A 66 5.916 9.083 2.961 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.914 8.772 1.505 1.00 0.00 N ATOM 0 H LYS A 66 4.649 6.438 7.289 1.00 0.00 H new ATOM 0 HA LYS A 66 5.626 9.041 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.993 7.717 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.366 9.428 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.737 9.000 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.513 7.306 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.799 7.204 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.051 7.237 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.026 9.662 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.778 9.706 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.538 9.585 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.886 8.574 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.317 7.939 1.329 1.00 0.00 H new ATOM 1049 N MET A 67 2.321 8.786 7.646 1.00 0.00 N ATOM 1050 CA MET A 67 1.085 9.433 8.069 1.00 0.00 C ATOM 1051 C MET A 67 1.115 9.738 9.564 1.00 0.00 C ATOM 1052 O MET A 67 0.755 10.836 9.990 1.00 0.00 O ATOM 1053 CB MET A 67 -0.118 8.547 7.742 1.00 0.00 C ATOM 1054 CG MET A 67 -1.446 9.134 8.192 1.00 0.00 C ATOM 1055 SD MET A 67 -1.785 10.739 7.445 1.00 0.00 S ATOM 1056 CE MET A 67 -2.983 10.285 6.194 1.00 0.00 C ATOM 0 H MET A 67 2.187 7.916 7.131 1.00 0.00 H new ATOM 0 HA MET A 67 0.993 10.373 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.151 8.377 6.666 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.019 7.574 8.214 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.249 8.442 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.445 9.236 9.277 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.631 10.615 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.110 9.202 6.187 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.938 10.761 6.416 1.00 0.00 H new ATOM 1066 N ASP A 68 1.545 8.761 10.354 1.00 0.00 N ATOM 1067 CA ASP A 68 1.623 8.926 11.801 1.00 0.00 C ATOM 1068 C ASP A 68 2.249 10.269 12.162 1.00 0.00 C ATOM 1069 O ASP A 68 1.737 10.996 13.012 1.00 0.00 O ATOM 1070 CB ASP A 68 2.432 7.787 12.423 1.00 0.00 C ATOM 1071 CG ASP A 68 2.740 8.028 13.888 1.00 0.00 C ATOM 1072 OD1 ASP A 68 1.871 7.727 14.733 1.00 0.00 O ATOM 1073 OD2 ASP A 68 3.849 8.516 14.188 1.00 0.00 O ATOM 0 H ASP A 68 1.845 7.846 10.017 1.00 0.00 H new ATOM 0 HA ASP A 68 0.609 8.900 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.878 6.854 12.320 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.366 7.666 11.874 1.00 0.00 H new ATOM 1078 N GLY A 69 3.363 10.591 11.511 1.00 0.00 N ATOM 1079 CA GLY A 69 4.043 11.845 11.778 1.00 0.00 C ATOM 1080 C GLY A 69 3.645 12.938 10.807 1.00 0.00 C ATOM 1081 O GLY A 69 4.450 13.812 10.482 1.00 0.00 O ATOM 0 H GLY A 69 3.807 10.005 10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.819 12.167 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.120 11.689 11.723 1.00 0.00 H new ATOM 1085 N ARG A 70 2.402 12.890 10.340 1.00 0.00 N ATOM 1086 CA ARG A 70 1.900 13.882 9.397 1.00 0.00 C ATOM 1087 C ARG A 70 2.947 14.198 8.333 1.00 0.00 C ATOM 1088 O ARG A 70 3.189 15.362 8.013 1.00 0.00 O ATOM 1089 CB ARG A 70 1.504 15.163 10.134 1.00 0.00 C ATOM 1090 CG ARG A 70 0.055 15.178 10.592 1.00 0.00 C ATOM 1091 CD ARG A 70 -0.195 14.148 11.683 1.00 0.00 C ATOM 1092 NE ARG A 70 0.283 14.603 12.986 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.160 14.120 14.141 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -1.086 13.171 14.155 1.00 0.00 N ATOM 1095 NH2 ARG A 70 0.324 14.585 15.286 1.00 0.00 N ATOM 0 H ARG A 70 1.723 12.174 10.600 1.00 0.00 H new ATOM 0 HA ARG A 70 1.020 13.467 8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.152 15.288 11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.678 16.017 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.201 16.171 10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.598 14.976 9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.262 13.935 11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.302 13.214 11.421 1.00 0.00 H new ATOM 0 HE ARG A 70 0.996 15.332 13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.460 12.810 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.424 12.802 15.044 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.037 15.314 15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.017 14.213 16.172 1.00 0.00 H new ATOM 1109 N GLU A 71 3.565 13.155 7.789 1.00 0.00 N ATOM 1110 CA GLU A 71 4.587 13.322 6.762 1.00 0.00 C ATOM 1111 C GLU A 71 3.952 13.626 5.408 1.00 0.00 C ATOM 1112 O GLU A 71 4.488 14.405 4.619 1.00 0.00 O ATOM 1113 CB GLU A 71 5.452 12.064 6.662 1.00 0.00 C ATOM 1114 CG GLU A 71 6.343 11.841 7.872 1.00 0.00 C ATOM 1115 CD GLU A 71 7.619 11.097 7.528 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.377 11.586 6.665 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.858 10.025 8.123 1.00 0.00 O ATOM 0 H GLU A 71 3.376 12.185 8.042 1.00 0.00 H new ATOM 0 HA GLU A 71 5.217 14.165 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.804 11.197 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.075 12.131 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.597 12.804 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.791 11.279 8.626 1.00 0.00 H new ATOM 1124 N TYR A 72 2.808 13.004 5.145 1.00 0.00 N ATOM 1125 CA TYR A 72 2.102 13.204 3.885 1.00 0.00 C ATOM 1126 C TYR A 72 1.593 14.638 3.768 1.00 0.00 C ATOM 1127 O TYR A 72 0.970 15.180 4.682 1.00 0.00 O ATOM 1128 CB TYR A 72 0.932 12.225 3.771 1.00 0.00 C ATOM 1129 CG TYR A 72 1.349 10.827 3.374 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.976 10.588 2.157 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.115 9.746 4.214 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.359 9.312 1.790 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.495 8.467 3.855 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.117 8.255 2.642 1.00 0.00 C ATOM 1135 OH TYR A 72 2.495 6.983 2.281 1.00 0.00 O ATOM 0 H TYR A 72 2.350 12.357 5.787 1.00 0.00 H new ATOM 0 HA TYR A 72 2.803 13.019 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.411 12.182 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.221 12.605 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.167 11.413 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.628 9.908 5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.845 9.143 0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.306 7.638 4.520 1.00 0.00 H new ATOM 0 HH TYR A 72 3.434 6.988 2.001 1.00 0.00 H new ATOM 1145 N PRO A 73 1.863 15.268 2.615 1.00 0.00 N ATOM 1146 CA PRO A 73 1.441 16.646 2.349 1.00 0.00 C ATOM 1147 C PRO A 73 -0.069 16.767 2.174 1.00 0.00 C ATOM 1148 O PRO A 73 -0.706 17.631 2.778 1.00 0.00 O ATOM 1149 CB PRO A 73 2.159 16.990 1.041 1.00 0.00 C ATOM 1150 CG PRO A 73 2.384 15.677 0.375 1.00 0.00 C ATOM 1151 CD PRO A 73 2.600 14.683 1.482 1.00 0.00 C ATOM 0 HA PRO A 73 1.686 17.314 3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.554 17.651 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.101 17.504 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.527 15.398 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.249 15.718 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.215 13.698 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.659 14.561 1.711 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.636 15.896 1.347 1.00 0.00 N ATOM 1160 CA ASP A 74 -2.072 15.904 1.094 1.00 0.00 C ATOM 1161 C ASP A 74 -2.577 14.499 0.781 1.00 0.00 C ATOM 1162 O ASP A 74 -1.788 13.577 0.575 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.403 16.848 -0.062 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.891 18.255 0.174 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -2.451 18.951 1.047 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.931 18.661 -0.513 1.00 0.00 O ATOM 0 H ASP A 74 -0.123 15.175 0.840 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.572 16.258 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.970 16.456 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.483 16.877 -0.206 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.896 14.343 0.748 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.506 13.051 0.458 1.00 0.00 C ATOM 1173 C ALA A 75 -3.849 12.392 -0.749 1.00 0.00 C ATOM 1174 O ALA A 75 -3.584 11.190 -0.743 1.00 0.00 O ATOM 1175 CB ALA A 75 -6.001 13.214 0.225 1.00 0.00 C ATOM 0 H ALA A 75 -4.563 15.095 0.919 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.352 12.403 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.444 12.242 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.465 13.634 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.167 13.883 -0.619 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.589 13.186 -1.783 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.963 12.678 -2.998 1.00 0.00 C ATOM 1183 C GLN A 76 -1.707 11.878 -2.670 1.00 0.00 C ATOM 1184 O GLN A 76 -1.510 10.776 -3.179 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.616 13.832 -3.939 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.814 14.688 -4.320 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.969 13.868 -4.860 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.767 12.871 -5.553 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -6.190 14.286 -4.544 1.00 0.00 N ATOM 0 H GLN A 76 -3.802 14.183 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.674 12.016 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.865 14.464 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.166 13.428 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.148 15.248 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.510 15.418 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.311 15.118 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.007 13.775 -4.879 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.858 12.443 -1.816 1.00 0.00 N ATOM 1199 CA GLY A 77 0.369 11.769 -1.435 1.00 0.00 C ATOM 1200 C GLY A 77 0.113 10.435 -0.762 1.00 0.00 C ATOM 1201 O GLY A 77 0.702 9.420 -1.135 1.00 0.00 O ATOM 0 H GLY A 77 -0.999 13.355 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.984 11.613 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.937 12.410 -0.761 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.765 10.436 0.235 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.096 9.217 0.964 1.00 0.00 C ATOM 1207 C PHE A 78 -1.641 8.149 0.020 1.00 0.00 C ATOM 1208 O PHE A 78 -1.234 6.989 0.077 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.121 9.515 2.060 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.863 8.298 2.534 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -4.033 7.897 1.910 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -2.390 7.556 3.605 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -4.718 6.778 2.344 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -3.071 6.435 4.042 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.237 6.047 3.412 1.00 0.00 C ATOM 0 H PHE A 78 -1.260 11.267 0.557 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.182 8.839 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.612 9.973 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.839 10.246 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.414 8.466 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.480 7.857 4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.629 6.476 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.691 5.863 4.876 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.772 5.173 3.754 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.564 8.551 -0.848 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.163 7.630 -1.806 1.00 0.00 C ATOM 1227 C ALA A 79 -2.132 7.138 -2.815 1.00 0.00 C ATOM 1228 O ALA A 79 -2.094 5.956 -3.153 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.328 8.298 -2.522 1.00 0.00 C ATOM 0 H ALA A 79 -2.913 9.508 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.535 6.765 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.766 7.599 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.082 8.593 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.971 9.181 -3.052 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.296 8.054 -3.294 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.263 7.713 -4.264 1.00 0.00 C ATOM 1237 C ALA A 80 0.475 6.442 -3.856 1.00 0.00 C ATOM 1238 O ALA A 80 0.527 5.473 -4.614 1.00 0.00 O ATOM 1239 CB ALA A 80 0.717 8.867 -4.420 1.00 0.00 C ATOM 0 H ALA A 80 -1.314 9.038 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.747 7.529 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.483 8.598 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.184 9.753 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.187 9.078 -3.459 1.00 0.00 H new ATOM 1245 N ASP A 81 1.044 6.453 -2.656 1.00 0.00 N ATOM 1246 CA ASP A 81 1.779 5.301 -2.147 1.00 0.00 C ATOM 1247 C ASP A 81 0.887 4.064 -2.103 1.00 0.00 C ATOM 1248 O ASP A 81 1.218 3.026 -2.675 1.00 0.00 O ATOM 1249 CB ASP A 81 2.331 5.596 -0.752 1.00 0.00 C ATOM 1250 CG ASP A 81 3.408 6.663 -0.770 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.250 7.653 -1.514 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.410 6.507 -0.040 1.00 0.00 O ATOM 0 H ASP A 81 1.010 7.247 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 81 2.611 5.104 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.517 5.917 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.738 4.680 -0.324 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.247 4.182 -1.419 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.187 3.074 -1.300 1.00 0.00 C ATOM 1259 C VAL A 82 -1.380 2.371 -2.639 1.00 0.00 C ATOM 1260 O VAL A 82 -1.034 1.199 -2.792 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.556 3.553 -0.781 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.540 2.394 -0.722 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.409 4.208 0.584 1.00 0.00 C ATOM 0 H VAL A 82 -0.537 5.034 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.761 2.372 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.948 4.297 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.501 2.751 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.668 1.974 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.157 1.625 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.386 4.540 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.995 3.488 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.741 5.065 0.506 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.934 3.094 -3.606 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.175 2.540 -4.933 1.00 0.00 C ATOM 1275 C ARG A 83 -1.003 1.670 -5.378 1.00 0.00 C ATOM 1276 O ARG A 83 -1.163 0.474 -5.626 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.403 3.664 -5.945 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.717 4.402 -5.749 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.763 5.685 -6.564 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.297 5.464 -7.905 1.00 0.00 N ATOM 1281 CZ ARG A 83 -4.314 6.394 -8.852 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -3.827 7.603 -8.607 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -4.817 6.116 -10.048 1.00 0.00 N ATOM 0 H ARG A 83 -2.225 4.065 -3.496 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.069 1.919 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.582 4.377 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.377 3.246 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.545 3.756 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.850 4.636 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.378 6.421 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.759 6.103 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.678 4.544 -8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.438 7.820 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.841 8.316 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.191 5.187 -10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.830 6.831 -10.775 1.00 0.00 H new ATOM 1297 N LEU A 84 0.174 2.278 -5.479 1.00 0.00 N ATOM 1298 CA LEU A 84 1.373 1.559 -5.896 1.00 0.00 C ATOM 1299 C LEU A 84 1.452 0.194 -5.221 1.00 0.00 C ATOM 1300 O LEU A 84 1.463 -0.840 -5.889 1.00 0.00 O ATOM 1301 CB LEU A 84 2.622 2.377 -5.564 1.00 0.00 C ATOM 1302 CG LEU A 84 3.858 2.090 -6.418 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.889 3.197 -6.254 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.459 0.741 -6.050 1.00 0.00 C ATOM 0 H LEU A 84 0.324 3.267 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 84 1.320 1.408 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.376 3.434 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.879 2.203 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 84 3.553 2.057 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.761 2.976 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.456 4.147 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.189 3.262 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.337 0.553 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.749 0.746 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.722 -0.044 -6.219 1.00 0.00 H new ATOM 1316 N MET A 85 1.503 0.198 -3.893 1.00 0.00 N ATOM 1317 CA MET A 85 1.577 -1.042 -3.127 1.00 0.00 C ATOM 1318 C MET A 85 0.746 -2.138 -3.787 1.00 0.00 C ATOM 1319 O MET A 85 1.200 -3.273 -3.929 1.00 0.00 O ATOM 1320 CB MET A 85 1.092 -0.811 -1.695 1.00 0.00 C ATOM 1321 CG MET A 85 1.145 -2.058 -0.827 1.00 0.00 C ATOM 1322 SD MET A 85 0.550 -1.763 0.849 1.00 0.00 S ATOM 1323 CE MET A 85 -1.212 -1.612 0.562 1.00 0.00 C ATOM 0 H MET A 85 1.494 1.045 -3.325 1.00 0.00 H new ATOM 0 HA MET A 85 2.618 -1.364 -3.103 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.700 -0.032 -1.235 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.067 -0.441 -1.722 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.546 -2.843 -1.288 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.171 -2.424 -0.785 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.754 -1.920 1.456 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.455 -0.575 0.329 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.500 -2.249 -0.274 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.472 -1.791 -4.188 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.367 -2.747 -4.831 1.00 0.00 C ATOM 1335 C PHE A 86 -0.846 -3.135 -6.212 1.00 0.00 C ATOM 1336 O PHE A 86 -0.875 -4.305 -6.592 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.774 -2.159 -4.951 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.535 -2.155 -3.656 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.226 -3.282 -3.240 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.559 -1.025 -2.855 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.927 -3.282 -2.048 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.258 -1.019 -1.662 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.943 -2.148 -1.259 1.00 0.00 C ATOM 0 H PHE A 86 -0.863 -0.855 -4.079 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.407 -3.643 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.701 -1.137 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.335 -2.729 -5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.217 -4.171 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.026 -0.139 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.461 -4.167 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.268 -0.132 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.491 -2.145 -0.328 1.00 0.00 H new ATOM 1353 N SER A 87 -0.370 -2.143 -6.958 1.00 0.00 N ATOM 1354 CA SER A 87 0.154 -2.379 -8.298 1.00 0.00 C ATOM 1355 C SER A 87 1.271 -3.418 -8.270 1.00 0.00 C ATOM 1356 O SER A 87 1.229 -4.409 -8.997 1.00 0.00 O ATOM 1357 CB SER A 87 0.672 -1.073 -8.903 1.00 0.00 C ATOM 1358 OG SER A 87 0.594 -1.099 -10.318 1.00 0.00 O ATOM 0 H SER A 87 -0.337 -1.169 -6.657 1.00 0.00 H new ATOM 0 HA SER A 87 -0.658 -2.761 -8.917 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.090 -0.235 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.705 -0.911 -8.596 1.00 0.00 H new ATOM 0 HG SER A 87 0.929 -0.252 -10.680 1.00 0.00 H new ATOM 1364 N ASN A 88 2.269 -3.182 -7.425 1.00 0.00 N ATOM 1365 CA ASN A 88 3.398 -4.097 -7.302 1.00 0.00 C ATOM 1366 C ASN A 88 2.918 -5.531 -7.107 1.00 0.00 C ATOM 1367 O ASN A 88 3.345 -6.442 -7.817 1.00 0.00 O ATOM 1368 CB ASN A 88 4.291 -3.682 -6.130 1.00 0.00 C ATOM 1369 CG ASN A 88 5.170 -2.493 -6.466 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.488 -2.250 -7.630 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.568 -1.745 -5.443 1.00 0.00 N ATOM 0 H ASN A 88 2.319 -2.366 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 88 3.975 -4.049 -8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.667 -3.438 -5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.919 -4.524 -5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.162 -0.932 -5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.280 -1.984 -4.494 1.00 0.00 H new ATOM 1378 N CYS A 89 2.026 -5.725 -6.141 1.00 0.00 N ATOM 1379 CA CYS A 89 1.487 -7.049 -5.852 1.00 0.00 C ATOM 1380 C CYS A 89 1.319 -7.859 -7.133 1.00 0.00 C ATOM 1381 O CYS A 89 2.074 -8.796 -7.391 1.00 0.00 O ATOM 1382 CB CYS A 89 0.144 -6.929 -5.130 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.700 -8.507 -4.875 1.00 0.00 S ATOM 0 H CYS A 89 1.661 -4.982 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 89 2.194 -7.569 -5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.305 -6.455 -4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.507 -6.269 -5.704 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.636 -8.648 -5.767 1.00 0.00 H new ATOM 1389 N TYR A 90 0.324 -7.492 -7.933 1.00 0.00 N ATOM 1390 CA TYR A 90 0.053 -8.187 -9.186 1.00 0.00 C ATOM 1391 C TYR A 90 1.233 -8.060 -10.144 1.00 0.00 C ATOM 1392 O TYR A 90 1.580 -9.007 -10.850 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.212 -7.630 -9.840 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.297 -7.270 -8.850 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -2.812 -8.220 -7.978 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.807 -5.978 -8.787 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -3.804 -7.896 -7.073 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.798 -5.645 -7.885 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.293 -6.607 -7.030 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.281 -6.280 -6.129 1.00 0.00 O ATOM 0 H TYR A 90 -0.309 -6.717 -7.736 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.098 -9.243 -8.961 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.952 -6.744 -10.419 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.602 -8.367 -10.542 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.430 -9.230 -8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.421 -5.222 -9.455 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.194 -8.648 -6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.183 -4.637 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.513 -5.333 -6.227 1.00 0.00 H new ATOM 1410 N LYS A 91 1.848 -6.882 -10.163 1.00 0.00 N ATOM 1411 CA LYS A 91 2.990 -6.628 -11.033 1.00 0.00 C ATOM 1412 C LYS A 91 3.859 -7.875 -11.167 1.00 0.00 C ATOM 1413 O LYS A 91 4.112 -8.351 -12.274 1.00 0.00 O ATOM 1414 CB LYS A 91 3.826 -5.469 -10.486 1.00 0.00 C ATOM 1415 CG LYS A 91 4.578 -4.702 -11.560 1.00 0.00 C ATOM 1416 CD LYS A 91 5.878 -5.395 -11.933 1.00 0.00 C ATOM 1417 CE LYS A 91 6.558 -4.709 -13.108 1.00 0.00 C ATOM 1418 NZ LYS A 91 5.694 -4.701 -14.321 1.00 0.00 N ATOM 0 H LYS A 91 1.574 -6.087 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 91 2.611 -6.361 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.172 -4.781 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.541 -5.858 -9.761 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.950 -4.604 -12.445 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.791 -3.693 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.549 -5.398 -11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.677 -6.436 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.809 -3.684 -12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.495 -5.218 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.280 -4.530 -15.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.216 -5.620 -14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.982 -3.947 -14.235 1.00 0.00 H new ATOM 1432 N TYR A 92 4.311 -8.400 -10.034 1.00 0.00 N ATOM 1433 CA TYR A 92 5.152 -9.591 -10.026 1.00 0.00 C ATOM 1434 C TYR A 92 4.304 -10.856 -9.930 1.00 0.00 C ATOM 1435 O TYR A 92 4.345 -11.712 -10.812 1.00 0.00 O ATOM 1436 CB TYR A 92 6.140 -9.536 -8.859 1.00 0.00 C ATOM 1437 CG TYR A 92 7.076 -10.722 -8.801 1.00 0.00 C ATOM 1438 CD1 TYR A 92 6.716 -11.885 -8.132 1.00 0.00 C ATOM 1439 CD2 TYR A 92 8.321 -10.679 -9.417 1.00 0.00 C ATOM 1440 CE1 TYR A 92 7.568 -12.970 -8.076 1.00 0.00 C ATOM 1441 CE2 TYR A 92 9.180 -11.761 -9.368 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.799 -12.903 -8.696 1.00 0.00 C ATOM 1443 OH TYR A 92 9.651 -13.983 -8.644 1.00 0.00 O ATOM 0 H TYR A 92 4.109 -8.020 -9.109 1.00 0.00 H new ATOM 0 HA TYR A 92 5.708 -9.618 -10.963 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.729 -8.622 -8.936 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.582 -9.478 -7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.753 -11.941 -7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.623 -9.785 -9.943 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.273 -13.866 -7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.144 -11.712 -9.853 1.00 0.00 H new ATOM 0 HH TYR A 92 10.475 -13.773 -9.131 1.00 0.00 H new ATOM 1453 N ASN A 93 3.536 -10.965 -8.851 1.00 0.00 N ATOM 1454 CA ASN A 93 2.677 -12.124 -8.638 1.00 0.00 C ATOM 1455 C ASN A 93 1.753 -12.343 -9.831 1.00 0.00 C ATOM 1456 O ASN A 93 1.159 -11.408 -10.368 1.00 0.00 O ATOM 1457 CB ASN A 93 1.850 -11.945 -7.363 1.00 0.00 C ATOM 1458 CG ASN A 93 2.703 -11.567 -6.168 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.927 -11.697 -6.199 1.00 0.00 O ATOM 1460 ND2 ASN A 93 2.059 -11.096 -5.107 1.00 0.00 N ATOM 0 H ASN A 93 3.491 -10.265 -8.111 1.00 0.00 H new ATOM 0 HA ASN A 93 3.314 -13.002 -8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.097 -11.174 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.316 -12.870 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.580 -10.825 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.043 -11.005 -5.126 1.00 0.00 H new ATOM 1467 N PRO A 94 1.626 -13.609 -10.257 1.00 0.00 N ATOM 1468 CA PRO A 94 0.774 -13.981 -11.391 1.00 0.00 C ATOM 1469 C PRO A 94 -0.710 -13.836 -11.073 1.00 0.00 C ATOM 1470 O PRO A 94 -1.109 -13.670 -9.920 1.00 0.00 O ATOM 1471 CB PRO A 94 1.128 -15.451 -11.633 1.00 0.00 C ATOM 1472 CG PRO A 94 1.619 -15.944 -10.315 1.00 0.00 C ATOM 1473 CD PRO A 94 2.304 -14.774 -9.664 1.00 0.00 C ATOM 0 HA PRO A 94 0.943 -13.339 -12.256 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.259 -16.017 -11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.892 -15.553 -12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.794 -16.304 -9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.309 -16.778 -10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.192 -14.795 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.374 -14.767 -9.874 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.549 -13.899 -12.118 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.003 -13.778 -11.975 1.00 0.00 C ATOM 1483 C PRO A 95 -3.620 -14.987 -11.280 1.00 0.00 C ATOM 1484 O PRO A 95 -4.826 -15.028 -11.039 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.495 -13.683 -13.421 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.443 -14.365 -14.225 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.142 -14.095 -13.520 1.00 0.00 C ATOM 0 HA PRO A 95 -3.282 -12.923 -11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.463 -14.169 -13.542 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.618 -12.645 -13.730 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.636 -15.436 -14.292 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.421 -13.981 -15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.448 -14.929 -13.624 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.643 -13.213 -13.921 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.785 -15.970 -10.961 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.248 -17.180 -10.293 1.00 0.00 C ATOM 1497 C ASP A 96 -3.118 -17.049 -8.779 1.00 0.00 C ATOM 1498 O ASP A 96 -4.045 -17.372 -8.035 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.456 -18.394 -10.782 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.224 -18.369 -12.280 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -3.213 -18.467 -13.036 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.053 -18.250 -12.696 1.00 0.00 O ATOM 0 H ASP A 96 -1.784 -15.952 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.301 -17.320 -10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.495 -18.428 -10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.992 -19.305 -10.515 1.00 0.00 H new ATOM 1507 N HIS A 97 -1.962 -16.573 -8.328 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.710 -16.399 -6.902 1.00 0.00 C ATOM 1509 C HIS A 97 -2.976 -15.953 -6.177 1.00 0.00 C ATOM 1510 O HIS A 97 -3.582 -14.943 -6.534 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.594 -15.377 -6.681 1.00 0.00 C ATOM 1512 CG HIS A 97 0.186 -15.606 -5.423 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.381 -16.088 -4.262 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.498 -15.417 -5.148 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.547 -16.184 -3.327 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.697 -15.783 -3.839 1.00 0.00 N ATOM 0 H HIS A 97 -1.185 -16.301 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.398 -17.360 -6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.087 -15.405 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.028 -14.377 -6.653 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.249 -15.047 -5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.392 -16.531 -2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.588 -15.750 -3.343 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.369 -16.712 -5.160 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.564 -16.395 -4.387 1.00 0.00 C ATOM 1526 C GLU A 98 -4.454 -15.007 -3.762 1.00 0.00 C ATOM 1527 O GLU A 98 -5.415 -14.237 -3.759 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.784 -17.442 -3.294 1.00 0.00 C ATOM 1529 CG GLU A 98 -3.950 -17.206 -2.046 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.105 -18.313 -1.022 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.248 -18.562 -0.584 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.082 -18.931 -0.658 1.00 0.00 O ATOM 0 H GLU A 98 -2.878 -17.551 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.417 -16.404 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.839 -17.451 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.550 -18.428 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.900 -17.120 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.238 -16.256 -1.595 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.276 -14.694 -3.232 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.040 -13.399 -2.604 1.00 0.00 C ATOM 1541 C VAL A 99 -3.591 -12.265 -3.460 1.00 0.00 C ATOM 1542 O VAL A 99 -4.092 -11.267 -2.940 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.538 -13.160 -2.360 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -0.878 -12.592 -3.607 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.333 -12.235 -1.169 1.00 0.00 C ATOM 0 H VAL A 99 -2.470 -15.319 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.559 -13.412 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.067 -14.117 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.183 -12.430 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.994 -13.294 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.349 -11.644 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.266 -12.077 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.817 -11.278 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.769 -12.687 -0.278 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.497 -12.424 -4.776 1.00 0.00 N ATOM 1556 CA VAL A 100 -3.988 -11.413 -5.705 1.00 0.00 C ATOM 1557 C VAL A 100 -5.463 -11.113 -5.461 1.00 0.00 C ATOM 1558 O VAL A 100 -5.858 -9.955 -5.334 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.801 -11.858 -7.168 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.664 -11.016 -8.096 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.336 -11.774 -7.567 1.00 0.00 C ATOM 0 H VAL A 100 -3.085 -13.243 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.403 -10.510 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.119 -12.897 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.519 -11.344 -9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.713 -11.132 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.379 -9.968 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.222 -12.092 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.989 -10.746 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.745 -12.424 -6.921 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.273 -12.165 -5.397 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.704 -12.015 -5.166 1.00 0.00 C ATOM 1573 C ALA A 101 -7.974 -11.242 -3.879 1.00 0.00 C ATOM 1574 O ALA A 101 -8.889 -10.422 -3.817 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.377 -13.378 -5.116 1.00 0.00 C ATOM 0 H ALA A 101 -5.962 -13.131 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.123 -11.446 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.446 -13.250 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.222 -13.895 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.946 -13.967 -4.306 1.00 0.00 H new ATOM 1581 N MET A 102 -7.172 -11.511 -2.854 1.00 0.00 N ATOM 1582 CA MET A 102 -7.325 -10.840 -1.568 1.00 0.00 C ATOM 1583 C MET A 102 -6.979 -9.359 -1.683 1.00 0.00 C ATOM 1584 O MET A 102 -7.656 -8.508 -1.107 1.00 0.00 O ATOM 1585 CB MET A 102 -6.436 -11.503 -0.514 1.00 0.00 C ATOM 1586 CG MET A 102 -6.788 -12.958 -0.250 1.00 0.00 C ATOM 1587 SD MET A 102 -6.422 -13.465 1.442 1.00 0.00 S ATOM 1588 CE MET A 102 -4.674 -13.088 1.537 1.00 0.00 C ATOM 0 H MET A 102 -6.410 -12.188 -2.889 1.00 0.00 H new ATOM 0 HA MET A 102 -8.367 -10.929 -1.262 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.397 -11.442 -0.837 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.514 -10.944 0.419 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.848 -13.114 -0.451 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.236 -13.593 -0.943 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.107 -14.014 1.630 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.365 -12.563 0.633 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.484 -12.457 2.406 1.00 0.00 H new ATOM 1598 N ALA A 103 -5.922 -9.059 -2.430 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.488 -7.681 -2.622 1.00 0.00 C ATOM 1600 C ALA A 103 -6.639 -6.805 -3.106 1.00 0.00 C ATOM 1601 O ALA A 103 -6.821 -5.684 -2.632 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.329 -7.624 -3.605 1.00 0.00 C ATOM 0 H ALA A 103 -5.350 -9.752 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.152 -7.295 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.016 -6.589 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.494 -8.209 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.645 -8.034 -4.564 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.413 -7.324 -4.054 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.545 -6.589 -4.604 1.00 0.00 C ATOM 1610 C ARG A 104 -9.540 -6.223 -3.507 1.00 0.00 C ATOM 1611 O ARG A 104 -9.860 -5.050 -3.309 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.243 -7.418 -5.684 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.330 -7.812 -6.833 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.071 -8.632 -7.878 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.650 -9.847 -7.310 1.00 0.00 N ATOM 1616 CZ ARG A 104 -9.967 -10.916 -8.032 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -9.762 -10.921 -9.342 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -10.489 -11.985 -7.443 1.00 0.00 N ATOM 0 H ARG A 104 -7.276 -8.251 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.166 -5.669 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.652 -8.321 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.085 -6.850 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.919 -6.915 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.487 -8.387 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.862 -8.026 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.386 -8.899 -8.683 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.820 -9.876 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.360 -10.102 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.007 -11.744 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.647 -11.986 -6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.732 -12.805 -7.998 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.028 -7.234 -2.796 1.00 0.00 N ATOM 1633 CA LYS A 105 -10.986 -7.020 -1.718 1.00 0.00 C ATOM 1634 C LYS A 105 -10.677 -5.732 -0.963 1.00 0.00 C ATOM 1635 O LYS A 105 -11.532 -4.854 -0.836 1.00 0.00 O ATOM 1636 CB LYS A 105 -10.971 -8.207 -0.752 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.912 -9.330 -1.153 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.769 -10.532 -0.234 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.788 -11.611 -0.566 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.630 -12.809 0.305 1.00 0.00 N ATOM 0 H LYS A 105 -9.775 -8.211 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.979 -6.931 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.956 -8.600 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.240 -7.857 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.941 -8.971 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.705 -9.630 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.762 -10.941 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.896 -10.217 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.794 -11.208 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.680 -11.904 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.342 -13.522 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.678 -13.209 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.759 -12.534 1.300 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.451 -5.623 -0.464 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.028 -4.441 0.278 1.00 0.00 C ATOM 1656 C LEU A 106 -8.947 -3.224 -0.638 1.00 0.00 C ATOM 1657 O LEU A 106 -9.265 -2.107 -0.231 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.671 -4.687 0.939 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.166 -3.582 1.868 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.024 -3.505 3.121 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.707 -3.817 2.232 1.00 0.00 C ATOM 0 H LEU A 106 -8.732 -6.340 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.770 -4.243 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.730 -5.614 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.930 -4.841 0.155 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.240 -2.630 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.650 -2.713 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.056 -3.289 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.983 -4.457 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.364 -3.021 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.608 -4.777 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.102 -3.821 1.325 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.520 -3.449 -1.877 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.399 -2.370 -2.851 1.00 0.00 C ATOM 1675 C GLN A 107 -9.762 -1.758 -3.157 1.00 0.00 C ATOM 1676 O GLN A 107 -9.862 -0.576 -3.489 1.00 0.00 O ATOM 1677 CB GLN A 107 -7.758 -2.888 -4.139 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.784 -1.882 -5.279 1.00 0.00 C ATOM 1679 CD GLN A 107 -6.636 -0.894 -5.211 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -6.361 -0.315 -4.160 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -5.958 -0.697 -6.336 1.00 0.00 N ATOM 0 H GLN A 107 -8.252 -4.368 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.762 -1.596 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.724 -3.166 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.275 -3.794 -4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.745 -2.414 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.728 -1.338 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.221 -1.199 -7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.175 -0.044 -6.352 1.00 0.00 H new ATOM 1690 N ASP A 108 -10.808 -2.568 -3.043 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.166 -2.106 -3.307 1.00 0.00 C ATOM 1692 C ASP A 108 -12.626 -1.128 -2.231 1.00 0.00 C ATOM 1693 O ASP A 108 -12.829 0.056 -2.498 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.127 -3.293 -3.380 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.330 -3.012 -4.258 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -15.085 -2.067 -3.944 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -14.517 -3.735 -5.258 1.00 0.00 O ATOM 0 H ASP A 108 -10.742 -3.548 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.167 -1.589 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.596 -4.163 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.466 -3.545 -2.375 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.789 -1.632 -1.012 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.226 -0.804 0.106 1.00 0.00 C ATOM 1704 C VAL A 109 -12.409 0.481 0.189 1.00 0.00 C ATOM 1705 O VAL A 109 -12.861 1.481 0.748 1.00 0.00 O ATOM 1706 CB VAL A 109 -13.111 -1.560 1.443 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -11.662 -1.926 1.727 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.691 -0.727 2.577 1.00 0.00 C ATOM 0 H VAL A 109 -12.625 -2.610 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.272 -0.556 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.686 -2.483 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.601 -2.459 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.284 -2.563 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.061 -1.018 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.602 -1.276 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.145 0.213 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.742 -0.521 2.376 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.205 0.447 -0.371 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.324 1.609 -0.360 1.00 0.00 C ATOM 1720 C PHE A 110 -10.732 2.612 -1.435 1.00 0.00 C ATOM 1721 O PHE A 110 -11.138 3.733 -1.131 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.872 1.177 -0.574 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.978 2.290 -1.042 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.861 2.582 -2.391 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.255 3.045 -0.132 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -7.039 3.605 -2.825 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.433 4.070 -0.560 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.324 4.350 -1.908 1.00 0.00 C ATOM 0 H PHE A 110 -10.817 -0.372 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.413 2.091 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.480 0.775 0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.846 0.369 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.419 2.003 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.335 2.830 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.956 3.821 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.876 4.652 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.681 5.150 -2.244 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.621 2.198 -2.694 1.00 0.00 N ATOM 1739 CA GLU A 111 -10.977 3.061 -3.815 1.00 0.00 C ATOM 1740 C GLU A 111 -12.327 3.733 -3.577 1.00 0.00 C ATOM 1741 O GLU A 111 -12.533 4.885 -3.956 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.019 2.254 -5.114 1.00 0.00 C ATOM 1743 CG GLU A 111 -12.017 1.109 -5.088 1.00 0.00 C ATOM 1744 CD GLU A 111 -12.326 0.572 -6.472 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -12.850 1.341 -7.304 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -12.041 -0.619 -6.723 1.00 0.00 O ATOM 0 H GLU A 111 -10.288 1.272 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.215 3.836 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.267 2.922 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.025 1.854 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.623 0.303 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.941 1.448 -4.619 1.00 0.00 H new ATOM 1753 N MET A 112 -13.241 3.003 -2.946 1.00 0.00 N ATOM 1754 CA MET A 112 -14.571 3.528 -2.657 1.00 0.00 C ATOM 1755 C MET A 112 -14.516 4.555 -1.530 1.00 0.00 C ATOM 1756 O MET A 112 -15.209 5.572 -1.571 1.00 0.00 O ATOM 1757 CB MET A 112 -15.521 2.390 -2.280 1.00 0.00 C ATOM 1758 CG MET A 112 -15.229 1.779 -0.919 1.00 0.00 C ATOM 1759 SD MET A 112 -16.538 0.674 -0.358 1.00 0.00 S ATOM 1760 CE MET A 112 -17.585 1.816 0.539 1.00 0.00 C ATOM 0 H MET A 112 -13.086 2.047 -2.625 1.00 0.00 H new ATOM 0 HA MET A 112 -14.944 4.020 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.545 2.764 -2.289 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.460 1.611 -3.039 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.290 1.228 -0.966 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.094 2.577 -0.188 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.620 1.478 0.487 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.269 1.858 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.505 2.808 0.095 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.689 4.282 -0.526 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.546 5.181 0.612 1.00 0.00 C ATOM 1772 C ARG A 113 -13.107 6.569 0.156 1.00 0.00 C ATOM 1773 O ARG A 113 -13.713 7.576 0.523 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.535 4.617 1.611 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.152 3.688 2.644 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.927 4.464 3.698 1.00 0.00 C ATOM 1777 NE ARG A 113 -13.040 5.174 4.617 1.00 0.00 N ATOM 1778 CZ ARG A 113 -12.501 4.616 5.695 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -12.756 3.349 5.988 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -11.704 5.327 6.483 1.00 0.00 N ATOM 0 H ARG A 113 -13.108 3.445 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.517 5.268 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.761 4.077 1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.045 5.444 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.817 2.981 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.367 3.104 3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.589 5.178 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.559 3.778 4.262 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.823 6.151 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.368 2.799 5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.340 2.924 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.505 6.302 6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.290 4.898 7.311 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.048 6.615 -0.646 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.526 7.880 -1.151 1.00 0.00 C ATOM 1796 C PHE A 114 -12.641 8.724 -1.760 1.00 0.00 C ATOM 1797 O PHE A 114 -12.665 9.945 -1.606 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.436 7.625 -2.195 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.452 8.753 -2.321 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.346 8.821 -1.490 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.634 9.746 -3.271 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.438 9.857 -1.604 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.729 10.784 -3.389 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.631 10.840 -2.554 1.00 0.00 C ATOM 0 H PHE A 114 -11.535 5.791 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.096 8.428 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.900 6.713 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.905 7.452 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.191 8.055 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.492 9.708 -3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.579 9.897 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.881 11.551 -4.134 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.924 11.652 -2.644 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.564 8.065 -2.452 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.683 8.754 -3.083 1.00 0.00 C ATOM 1816 C ALA A 115 -15.569 9.430 -2.042 1.00 0.00 C ATOM 1817 O ALA A 115 -15.892 10.612 -2.161 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.499 7.779 -3.920 1.00 0.00 C ATOM 0 H ALA A 115 -13.559 7.054 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.279 9.528 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.331 8.307 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.866 7.346 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.885 6.985 -3.281 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.959 8.673 -1.022 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.807 9.199 0.041 1.00 0.00 C ATOM 1826 C LYS A 116 -16.251 10.512 0.581 1.00 0.00 C ATOM 1827 O LYS A 116 -17.002 11.444 0.868 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.929 8.179 1.175 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.988 7.118 0.928 1.00 0.00 C ATOM 1830 CD LYS A 116 -17.647 6.260 -0.279 1.00 0.00 C ATOM 1831 CE LYS A 116 -18.825 5.394 -0.697 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.763 6.127 -1.592 1.00 0.00 N ATOM 0 H LYS A 116 -15.701 7.693 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.796 9.389 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.965 7.691 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.162 8.704 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.083 6.485 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.955 7.597 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.352 6.900 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.792 5.625 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.458 4.503 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.360 5.056 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.552 5.502 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.133 6.963 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.260 6.428 -2.451 1.00 0.00 H new ATOM 1846 N MET A 117 -14.931 10.579 0.716 1.00 0.00 N ATOM 1847 CA MET A 117 -14.274 11.780 1.220 1.00 0.00 C ATOM 1848 C MET A 117 -14.827 13.028 0.538 1.00 0.00 C ATOM 1849 O MET A 117 -15.532 13.826 1.157 1.00 0.00 O ATOM 1850 CB MET A 117 -12.763 11.692 1.000 1.00 0.00 C ATOM 1851 CG MET A 117 -11.984 12.808 1.676 1.00 0.00 C ATOM 1852 SD MET A 117 -10.201 12.550 1.611 1.00 0.00 S ATOM 1853 CE MET A 117 -9.947 12.385 -0.154 1.00 0.00 C ATOM 0 H MET A 117 -14.295 9.816 0.484 1.00 0.00 H new ATOM 0 HA MET A 117 -14.474 11.852 2.289 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.405 10.733 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.558 11.714 -0.070 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.227 13.757 1.198 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.298 12.886 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.886 12.487 -0.380 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.295 11.405 -0.482 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.505 13.162 -0.676 1.00 0.00 H new