USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 857 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 56 THR OG1 : rot 83:sc= 1.22 USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 43 HIS :FLIP no HD1:sc= 0.322 F(o=-0.18,f=0.68) USER MOD Set 2.2: A 47 CYS SG : rot 97:sc= 0.353 USER MOD Single : A 8 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.63) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 70:sc= 0.654 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 156:sc= -0.685 (180deg=-1.35) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.702 K(o=0.7,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0.248 F(o=-1.4,f=0.25) USER MOD Single : A 44 THR OG1 : rot 63:sc= 0.27 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -2.46! C(o=-2.5!,f=-3.7!) USER MOD Single : A 58 CYS SG : rot 31:sc= 0.438 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0104 K(o=-0.01,f=-1.5) USER MOD Single : A 67 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.044) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.079) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0885 K(o=-0.089,f=-0.61) USER MOD Single : A 80 SER OG : rot -70:sc= 1.25 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.466 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00834) USER MOD Single : A 96 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -13.403 -8.052 -3.120 1.00 13.12 N ATOM 60 CA LEU A 6 -13.260 -8.183 -1.677 1.00 4.11 C ATOM 61 C LEU A 6 -14.604 -8.638 -1.106 1.00 45.43 C ATOM 62 O LEU A 6 -15.484 -7.831 -0.806 1.00 60.30 O ATOM 63 CB LEU A 6 -12.770 -6.881 -1.019 1.00 72.24 C ATOM 64 CG LEU A 6 -11.240 -6.697 -1.022 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.602 -6.799 -2.407 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.852 -5.349 -0.411 1.00 61.12 C ATOM 0 HA LEU A 6 -12.494 -8.926 -1.456 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.225 -6.035 -1.534 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -13.124 -6.855 0.012 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.858 -7.523 -0.422 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.524 -6.658 -2.322 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.807 -7.782 -2.831 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.019 -6.030 -3.057 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.767 -5.242 -0.424 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -11.303 -4.544 -0.991 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.209 -5.300 0.618 1.00 61.12 H new ATOM 78 N ASP A 7 -14.732 -9.957 -0.976 1.00 75.13 N ATOM 79 CA ASP A 7 -15.802 -10.659 -0.271 1.00 1.34 C ATOM 80 C ASP A 7 -15.922 -10.145 1.171 1.00 50.11 C ATOM 81 O ASP A 7 -15.024 -9.461 1.669 1.00 25.20 O ATOM 82 CB ASP A 7 -15.462 -12.160 -0.301 1.00 22.15 C ATOM 83 CG ASP A 7 -16.558 -13.059 0.270 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.558 -13.263 1.498 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -17.405 -13.549 -0.512 1.00 12.54 O ATOM 0 H ASP A 7 -14.053 -10.601 -1.383 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.764 -10.483 -0.752 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -15.264 -12.456 -1.331 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.542 -12.325 0.261 1.00 22.15 H new ATOM 90 N GLN A 8 -16.992 -10.525 1.873 1.00 35.03 N ATOM 91 CA GLN A 8 -17.114 -10.382 3.318 1.00 31.00 C ATOM 92 C GLN A 8 -15.824 -10.848 4.009 1.00 15.44 C ATOM 93 O GLN A 8 -15.221 -10.051 4.739 1.00 42.40 O ATOM 94 CB GLN A 8 -18.334 -11.163 3.830 1.00 11.40 C ATOM 95 CG GLN A 8 -19.697 -10.496 3.589 1.00 73.15 C ATOM 96 CD GLN A 8 -20.090 -10.374 2.120 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.941 -9.313 1.520 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.582 -11.439 1.512 1.00 23.44 N ATOM 0 H GLN A 8 -17.812 -10.949 1.440 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.264 -9.330 3.559 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.341 -12.144 3.355 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -18.214 -11.328 4.901 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -20.464 -11.067 4.111 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.684 -9.500 4.033 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.699 -12.312 2.027 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -20.845 -11.388 0.528 1.00 23.44 H new ATOM 107 N LYS A 9 -15.378 -12.085 3.754 1.00 54.03 N ATOM 108 CA LYS A 9 -14.206 -12.663 4.404 1.00 31.31 C ATOM 109 C LYS A 9 -12.960 -11.858 4.045 1.00 71.23 C ATOM 110 O LYS A 9 -12.222 -11.448 4.939 1.00 2.24 O ATOM 111 CB LYS A 9 -14.013 -14.154 4.061 1.00 54.31 C ATOM 112 CG LYS A 9 -15.289 -15.019 4.071 1.00 72.00 C ATOM 113 CD LYS A 9 -15.081 -16.423 4.670 1.00 23.34 C ATOM 114 CE LYS A 9 -16.219 -17.371 4.265 1.00 1.24 C ATOM 115 NZ LYS A 9 -16.074 -17.873 2.881 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.826 -12.712 3.086 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.371 -12.611 5.480 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.558 -14.223 3.073 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -13.303 -14.581 4.769 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -16.063 -14.502 4.639 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.657 -15.120 3.050 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.128 -16.829 4.331 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -15.030 -16.354 5.757 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.246 -18.216 4.953 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -17.172 -16.851 4.361 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -16.867 -18.508 2.657 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -16.075 -17.071 2.219 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -15.178 -18.393 2.793 1.00 21.22 H new ATOM 129 N THR A 10 -12.708 -11.641 2.752 1.00 74.25 N ATOM 130 CA THR A 10 -11.505 -10.960 2.299 1.00 13.54 C ATOM 131 C THR A 10 -11.422 -9.559 2.908 1.00 52.52 C ATOM 132 O THR A 10 -10.365 -9.203 3.428 1.00 61.23 O ATOM 133 CB THR A 10 -11.460 -10.928 0.766 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.467 -12.245 0.256 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.201 -10.242 0.234 1.00 21.15 C ATOM 0 H THR A 10 -13.331 -11.932 1.999 1.00 74.25 H new ATOM 0 HA THR A 10 -10.629 -11.512 2.640 1.00 13.54 H new ATOM 0 HB THR A 10 -12.337 -10.367 0.443 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.440 -12.217 -0.723 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.218 -10.246 -0.856 1.00 21.15 H new ATOM 0 HG22 THR A 10 -10.168 -9.213 0.593 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.319 -10.777 0.585 1.00 21.15 H new ATOM 143 N PHE A 11 -12.487 -8.757 2.829 1.00 2.31 N ATOM 144 CA PHE A 11 -12.487 -7.402 3.369 1.00 54.43 C ATOM 145 C PHE A 11 -12.228 -7.409 4.877 1.00 2.41 C ATOM 146 O PHE A 11 -11.428 -6.607 5.361 1.00 32.02 O ATOM 147 CB PHE A 11 -13.817 -6.713 3.056 1.00 25.32 C ATOM 148 CG PHE A 11 -13.753 -5.208 3.207 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.957 -4.609 4.464 1.00 71.24 C ATOM 150 CD2 PHE A 11 -13.449 -4.403 2.095 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.857 -3.214 4.605 1.00 72.32 C ATOM 152 CE2 PHE A 11 -13.311 -3.013 2.245 1.00 20.31 C ATOM 153 CZ PHE A 11 -13.526 -2.418 3.498 1.00 65.24 C ATOM 0 H PHE A 11 -13.367 -9.030 2.391 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.679 -6.844 2.895 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.116 -6.958 2.037 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.588 -7.107 3.718 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -14.191 -5.222 5.322 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -13.321 -4.855 1.122 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -14.035 -2.755 5.566 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -13.040 -2.402 1.397 1.00 20.31 H new ATOM 0 HZ PHE A 11 -13.437 -1.348 3.610 1.00 65.24 H new ATOM 163 N SER A 12 -12.875 -8.329 5.604 1.00 52.41 N ATOM 164 CA SER A 12 -12.691 -8.522 7.037 1.00 3.30 C ATOM 165 C SER A 12 -11.201 -8.699 7.344 1.00 51.11 C ATOM 166 O SER A 12 -10.635 -7.941 8.132 1.00 3.04 O ATOM 167 CB SER A 12 -13.539 -9.719 7.489 1.00 34.53 C ATOM 168 OG SER A 12 -13.582 -9.828 8.894 1.00 33.32 O ATOM 0 H SER A 12 -13.555 -8.971 5.197 1.00 52.41 H new ATOM 0 HA SER A 12 -13.028 -7.649 7.596 1.00 3.30 H new ATOM 0 HB2 SER A 12 -14.552 -9.614 7.101 1.00 34.53 H new ATOM 0 HB3 SER A 12 -13.129 -10.636 7.065 1.00 34.53 H new ATOM 0 HG SER A 12 -14.132 -10.599 9.146 1.00 33.32 H new ATOM 174 N ILE A 13 -10.550 -9.649 6.670 1.00 45.32 N ATOM 175 CA ILE A 13 -9.133 -9.942 6.848 1.00 14.50 C ATOM 176 C ILE A 13 -8.291 -8.712 6.470 1.00 34.12 C ATOM 177 O ILE A 13 -7.335 -8.398 7.175 1.00 34.35 O ATOM 178 CB ILE A 13 -8.770 -11.202 6.032 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.501 -12.455 6.575 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.249 -11.461 6.025 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.633 -13.562 5.521 1.00 3.22 C ATOM 0 H ILE A 13 -11.002 -10.243 5.975 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.912 -10.158 7.893 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.096 -11.014 5.009 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -8.959 -12.842 7.438 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.494 -12.170 6.924 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -7.035 -12.356 5.441 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.737 -10.607 5.582 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.899 -11.603 7.048 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.153 -14.417 5.954 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -10.199 -13.187 4.668 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.641 -13.870 5.191 1.00 3.22 H new ATOM 193 N CYS A 14 -8.622 -7.978 5.399 1.00 42.43 N ATOM 194 CA CYS A 14 -7.845 -6.805 4.996 1.00 71.02 C ATOM 195 C CYS A 14 -7.789 -5.740 6.100 1.00 75.44 C ATOM 196 O CYS A 14 -6.737 -5.124 6.283 1.00 53.24 O ATOM 197 CB CYS A 14 -8.380 -6.182 3.708 1.00 61.45 C ATOM 198 SG CYS A 14 -8.175 -7.283 2.281 1.00 44.54 S ATOM 0 H CYS A 14 -9.422 -8.178 4.799 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.832 -7.165 4.815 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -9.436 -5.944 3.833 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.862 -5.242 3.518 1.00 61.45 H new ATOM 0 HG CYS A 14 -8.982 -8.295 2.395 1.00 44.54 H new ATOM 204 N LYS A 15 -8.873 -5.548 6.861 1.00 61.20 N ATOM 205 CA LYS A 15 -8.862 -4.662 8.027 1.00 71.41 C ATOM 206 C LYS A 15 -7.781 -5.091 9.017 1.00 64.32 C ATOM 207 O LYS A 15 -7.063 -4.223 9.519 1.00 53.44 O ATOM 208 CB LYS A 15 -10.234 -4.633 8.723 1.00 2.12 C ATOM 209 CG LYS A 15 -11.342 -3.983 7.879 1.00 72.43 C ATOM 210 CD LYS A 15 -12.756 -4.367 8.340 1.00 54.23 C ATOM 211 CE LYS A 15 -13.075 -3.989 9.798 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.288 -5.177 10.656 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.772 -5.998 6.687 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.640 -3.655 7.674 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.528 -5.653 8.969 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.142 -4.092 9.665 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.234 -2.899 7.922 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.215 -4.275 6.837 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.482 -3.884 7.685 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.884 -5.443 8.220 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -12.257 -3.394 10.203 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.967 -3.363 9.821 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -13.499 -4.870 11.627 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.086 -5.733 10.287 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -12.429 -5.763 10.657 1.00 53.52 H new ATOM 226 N GLU A 16 -7.652 -6.392 9.282 1.00 32.01 N ATOM 227 CA GLU A 16 -6.641 -6.939 10.184 1.00 34.41 C ATOM 228 C GLU A 16 -5.240 -6.741 9.607 1.00 35.03 C ATOM 229 O GLU A 16 -4.311 -6.396 10.333 1.00 3.44 O ATOM 230 CB GLU A 16 -6.850 -8.442 10.439 1.00 11.31 C ATOM 231 CG GLU A 16 -8.298 -8.822 10.750 1.00 11.31 C ATOM 232 CD GLU A 16 -8.410 -10.277 11.189 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.973 -11.185 10.451 1.00 73.22 O ATOM 234 OE2 GLU A 16 -8.967 -10.522 12.287 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.256 -7.104 8.870 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.742 -6.401 11.127 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -6.519 -8.999 9.562 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.217 -8.751 11.271 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.685 -8.173 11.535 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.916 -8.658 9.867 1.00 11.31 H new ATOM 241 N ARG A 17 -5.077 -6.973 8.302 1.00 63.14 N ATOM 242 CA ARG A 17 -3.786 -6.870 7.624 1.00 23.14 C ATOM 243 C ARG A 17 -3.249 -5.457 7.762 1.00 53.13 C ATOM 244 O ARG A 17 -2.114 -5.255 8.188 1.00 22.52 O ATOM 245 CB ARG A 17 -3.925 -7.235 6.139 1.00 51.25 C ATOM 246 CG ARG A 17 -4.375 -8.683 5.891 1.00 12.51 C ATOM 247 CD ARG A 17 -3.215 -9.642 5.655 1.00 23.13 C ATOM 248 NE ARG A 17 -2.517 -10.079 6.870 1.00 4.42 N ATOM 249 CZ ARG A 17 -1.570 -11.025 6.855 1.00 41.23 C ATOM 250 NH1 ARG A 17 -1.094 -11.488 5.704 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -1.101 -11.528 7.982 1.00 54.34 N ATOM 0 H ARG A 17 -5.843 -7.239 7.684 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.090 -7.569 8.087 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.642 -6.558 5.675 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.967 -7.073 5.644 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -4.954 -9.028 6.748 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -5.039 -8.707 5.027 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.591 -10.522 5.133 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -2.495 -9.162 4.993 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.763 -9.645 7.760 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -1.450 -11.122 4.821 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -0.372 -12.209 5.704 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -1.460 -11.196 8.877 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -0.379 -12.248 7.958 1.00 54.34 H new ATOM 265 N MET A 18 -4.061 -4.463 7.414 1.00 71.35 N ATOM 266 CA MET A 18 -3.656 -3.069 7.415 1.00 21.12 C ATOM 267 C MET A 18 -3.852 -2.440 8.798 1.00 10.24 C ATOM 268 O MET A 18 -4.378 -1.330 8.910 1.00 60.01 O ATOM 269 CB MET A 18 -4.447 -2.309 6.353 1.00 35.41 C ATOM 270 CG MET A 18 -4.369 -2.879 4.930 1.00 63.51 C ATOM 271 SD MET A 18 -2.750 -3.408 4.320 1.00 62.02 S ATOM 272 CE MET A 18 -1.857 -1.845 4.487 1.00 72.55 C ATOM 0 H MET A 18 -5.027 -4.609 7.121 1.00 71.35 H new ATOM 0 HA MET A 18 -2.594 -3.009 7.178 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.494 -2.281 6.657 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.094 -1.278 6.332 1.00 35.41 H new ATOM 0 HG2 MET A 18 -5.043 -3.734 4.874 1.00 63.51 H new ATOM 0 HG3 MET A 18 -4.754 -2.124 4.245 1.00 63.51 H new ATOM 0 HE1 MET A 18 -0.789 -2.044 4.575 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.040 -1.226 3.609 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.203 -1.322 5.378 1.00 72.55 H new ATOM 282 N ARG A 19 -3.495 -3.148 9.866 1.00 70.53 N ATOM 283 CA ARG A 19 -3.583 -2.658 11.236 1.00 32.31 C ATOM 284 C ARG A 19 -2.422 -1.740 11.582 1.00 1.35 C ATOM 285 O ARG A 19 -2.703 -0.680 12.147 1.00 33.22 O ATOM 286 CB ARG A 19 -3.639 -3.808 12.256 1.00 55.31 C ATOM 287 CG ARG A 19 -5.066 -4.104 12.745 1.00 70.22 C ATOM 288 CD ARG A 19 -5.075 -4.921 14.048 1.00 11.33 C ATOM 289 NE ARG A 19 -4.339 -4.234 15.129 1.00 22.22 N ATOM 290 CZ ARG A 19 -3.796 -4.819 16.201 1.00 44.22 C ATOM 291 NH1 ARG A 19 -4.143 -6.049 16.558 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -2.901 -4.160 16.931 1.00 44.53 N ATOM 0 H ARG A 19 -3.129 -4.098 9.801 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.513 -2.092 11.294 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.221 -4.708 11.805 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.011 -3.559 13.112 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.596 -3.165 12.903 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.607 -4.650 11.972 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -6.104 -5.094 14.362 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.628 -5.899 13.868 1.00 11.33 H new ATOM 0 HE ARG A 19 -4.236 -3.222 15.050 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -4.834 -6.563 16.011 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -3.719 -6.481 17.379 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -2.631 -3.211 16.672 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -2.485 -4.603 17.750 1.00 44.53 H new ATOM 306 N PRO A 20 -1.153 -2.107 11.311 1.00 55.23 N ATOM 307 CA PRO A 20 -0.027 -1.312 11.775 1.00 5.31 C ATOM 308 C PRO A 20 -0.070 0.109 11.225 1.00 5.24 C ATOM 309 O PRO A 20 0.075 1.074 11.968 1.00 22.40 O ATOM 310 CB PRO A 20 1.220 -2.077 11.328 1.00 24.21 C ATOM 311 CG PRO A 20 0.761 -3.090 10.296 1.00 41.52 C ATOM 312 CD PRO A 20 -0.657 -3.366 10.753 1.00 62.13 C ATOM 0 HA PRO A 20 -0.041 -1.184 12.857 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.959 -1.398 10.902 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.694 -2.574 12.175 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.795 -2.688 9.283 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.376 -3.990 10.302 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.278 -3.695 9.920 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.679 -4.159 11.500 1.00 62.13 H new ATOM 320 N VAL A 21 -0.343 0.238 9.932 1.00 53.43 N ATOM 321 CA VAL A 21 -0.269 1.478 9.166 1.00 65.33 C ATOM 322 C VAL A 21 -1.637 2.148 9.050 1.00 34.13 C ATOM 323 O VAL A 21 -1.873 2.877 8.092 1.00 65.24 O ATOM 324 CB VAL A 21 0.377 1.158 7.793 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.872 0.853 7.950 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.302 -0.020 7.070 1.00 41.14 C ATOM 0 H VAL A 21 -0.636 -0.556 9.362 1.00 53.43 H new ATOM 0 HA VAL A 21 0.356 2.207 9.681 1.00 65.33 H new ATOM 0 HB VAL A 21 0.239 2.050 7.182 1.00 4.30 H new ATOM 0 HG11 VAL A 21 2.303 0.632 6.973 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.376 1.718 8.382 1.00 52.03 H new ATOM 0 HG13 VAL A 21 2.001 -0.007 8.607 1.00 52.03 H new ATOM 0 HG21 VAL A 21 0.194 -0.196 6.116 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.230 -0.916 7.687 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.352 0.217 6.895 1.00 41.14 H new ATOM 336 N LYS A 22 -2.562 1.923 9.990 1.00 4.01 N ATOM 337 CA LYS A 22 -3.927 2.443 9.879 1.00 52.15 C ATOM 338 C LYS A 22 -3.966 3.948 9.600 1.00 32.24 C ATOM 339 O LYS A 22 -4.686 4.389 8.699 1.00 35.14 O ATOM 340 CB LYS A 22 -4.740 2.104 11.148 1.00 14.31 C ATOM 341 CG LYS A 22 -5.694 0.920 10.944 1.00 51.24 C ATOM 342 CD LYS A 22 -6.627 0.753 12.149 1.00 4.42 C ATOM 343 CE LYS A 22 -7.542 -0.470 12.039 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.631 -0.289 11.058 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.388 1.383 10.838 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.384 1.952 9.020 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.054 1.875 11.963 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.314 2.980 11.451 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.284 1.075 10.041 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.119 0.006 10.795 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.028 0.670 13.056 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.239 1.649 12.253 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -6.947 -1.338 11.757 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.973 -0.684 13.017 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.217 -1.148 11.027 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.219 0.521 11.338 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -8.225 -0.113 10.117 1.00 62.13 H new ATOM 358 N ALA A 23 -3.211 4.745 10.358 1.00 3.10 N ATOM 359 CA ALA A 23 -3.211 6.183 10.135 1.00 60.23 C ATOM 360 C ALA A 23 -2.434 6.557 8.879 1.00 22.25 C ATOM 361 O ALA A 23 -2.780 7.548 8.256 1.00 61.41 O ATOM 362 CB ALA A 23 -2.606 6.913 11.322 1.00 13.54 C ATOM 0 H ALA A 23 -2.606 4.425 11.114 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.251 6.483 10.009 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -2.617 7.986 11.133 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -3.188 6.697 12.218 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.578 6.580 11.468 1.00 13.54 H new ATOM 368 N ALA A 24 -1.388 5.812 8.506 1.00 33.30 N ATOM 369 CA ALA A 24 -0.660 6.088 7.272 1.00 54.32 C ATOM 370 C ALA A 24 -1.586 5.876 6.075 1.00 25.33 C ATOM 371 O ALA A 24 -1.673 6.741 5.212 1.00 41.25 O ATOM 372 CB ALA A 24 0.594 5.213 7.163 1.00 1.31 C ATOM 0 H ALA A 24 -1.032 5.019 9.040 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.329 7.126 7.282 1.00 54.32 H new ATOM 0 HB1 ALA A 24 1.117 5.440 6.234 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.252 5.414 8.008 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.306 4.162 7.170 1.00 1.31 H new ATOM 378 N LEU A 25 -2.299 4.743 6.032 1.00 62.25 N ATOM 379 CA LEU A 25 -3.246 4.459 4.964 1.00 63.42 C ATOM 380 C LEU A 25 -4.308 5.558 4.931 1.00 64.02 C ATOM 381 O LEU A 25 -4.610 6.060 3.856 1.00 34.33 O ATOM 382 CB LEU A 25 -3.767 3.002 5.047 1.00 1.32 C ATOM 383 CG LEU A 25 -5.177 2.746 5.626 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.294 2.981 4.602 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.294 1.292 6.102 1.00 60.44 C ATOM 0 H LEU A 25 -2.231 4.007 6.735 1.00 62.25 H new ATOM 0 HA LEU A 25 -2.761 4.492 3.988 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.743 2.585 4.040 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -3.056 2.431 5.645 1.00 1.32 H new ATOM 0 HG LEU A 25 -5.298 3.452 6.448 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -7.260 2.786 5.067 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -6.260 4.014 4.257 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.157 2.310 3.754 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -6.291 1.121 6.508 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.125 0.619 5.261 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.550 1.101 6.875 1.00 60.44 H new ATOM 397 N LYS A 26 -4.848 5.973 6.088 1.00 54.00 N ATOM 398 CA LYS A 26 -5.904 6.981 6.072 1.00 74.52 C ATOM 399 C LYS A 26 -5.392 8.414 5.831 1.00 13.22 C ATOM 400 O LYS A 26 -6.161 9.225 5.321 1.00 65.43 O ATOM 401 CB LYS A 26 -6.776 6.840 7.325 1.00 21.25 C ATOM 402 CG LYS A 26 -8.130 7.497 7.041 1.00 45.03 C ATOM 403 CD LYS A 26 -9.192 7.280 8.120 1.00 54.44 C ATOM 404 CE LYS A 26 -10.308 8.232 7.695 1.00 30.32 C ATOM 405 NZ LYS A 26 -11.444 8.309 8.624 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.579 5.637 7.013 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.534 6.790 5.203 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.909 5.788 7.579 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.294 7.316 8.179 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.977 8.569 6.913 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.512 7.114 6.095 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.533 6.245 8.149 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.813 7.519 9.114 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -9.888 9.230 7.575 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.677 7.922 6.718 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -12.150 8.977 8.254 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -11.876 7.368 8.723 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -11.111 8.636 9.553 1.00 3.34 H new ATOM 419 N GLN A 27 -4.123 8.731 6.104 1.00 44.31 N ATOM 420 CA GLN A 27 -3.528 10.014 5.718 1.00 45.20 C ATOM 421 C GLN A 27 -3.611 10.221 4.207 1.00 75.11 C ATOM 422 O GLN A 27 -3.707 11.356 3.756 1.00 3.23 O ATOM 423 CB GLN A 27 -2.057 10.106 6.148 1.00 63.33 C ATOM 424 CG GLN A 27 -1.896 10.490 7.624 1.00 62.13 C ATOM 425 CD GLN A 27 -1.522 11.956 7.883 1.00 71.01 C ATOM 426 OE1 GLN A 27 -1.745 12.870 7.085 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.896 12.197 9.022 1.00 1.20 N ATOM 0 H GLN A 27 -3.482 8.109 6.596 1.00 44.31 H new ATOM 0 HA GLN A 27 -4.097 10.791 6.228 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.570 9.147 5.971 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.546 10.842 5.527 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.830 10.273 8.143 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -1.130 9.853 8.067 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.716 11.435 9.676 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.593 13.145 9.247 1.00 1.20 H new ATOM 436 N LEU A 28 -3.564 9.152 3.412 1.00 32.11 N ATOM 437 CA LEU A 28 -3.634 9.270 1.965 1.00 1.43 C ATOM 438 C LEU A 28 -5.069 9.490 1.492 1.00 13.42 C ATOM 439 O LEU A 28 -5.249 9.922 0.355 1.00 2.11 O ATOM 440 CB LEU A 28 -2.974 8.039 1.329 1.00 33.02 C ATOM 441 CG LEU A 28 -1.454 8.191 1.118 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.147 9.085 -0.090 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.656 8.712 2.320 1.00 62.12 C ATOM 0 H LEU A 28 -3.477 8.194 3.752 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.083 10.153 1.641 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.159 7.171 1.961 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.447 7.840 0.368 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.124 7.165 0.953 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.067 9.173 -0.213 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.580 8.644 -0.988 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.575 10.074 0.071 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.399 8.778 2.055 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.022 9.700 2.599 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.777 8.029 3.161 1.00 62.12 H new ATOM 455 N ASP A 29 -6.070 9.236 2.340 1.00 4.35 N ATOM 456 CA ASP A 29 -7.461 9.575 2.072 1.00 23.20 C ATOM 457 C ASP A 29 -7.681 11.044 2.408 1.00 70.54 C ATOM 458 O ASP A 29 -8.052 11.836 1.543 1.00 54.23 O ATOM 459 CB ASP A 29 -8.390 8.687 2.912 1.00 44.14 C ATOM 460 CG ASP A 29 -9.862 8.828 2.531 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.183 9.059 1.346 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.730 8.666 3.418 1.00 42.44 O ATOM 0 H ASP A 29 -5.930 8.783 3.243 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.688 9.405 1.020 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.089 7.646 2.796 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -8.268 8.939 3.966 1.00 44.14 H new ATOM 467 N ARG A 30 -7.407 11.432 3.658 1.00 1.15 N ATOM 468 CA ARG A 30 -7.607 12.780 4.184 1.00 60.23 C ATOM 469 C ARG A 30 -6.321 13.214 4.893 1.00 21.12 C ATOM 470 O ARG A 30 -6.211 12.993 6.101 1.00 42.23 O ATOM 471 CB ARG A 30 -8.853 12.840 5.089 1.00 12.30 C ATOM 472 CG ARG A 30 -9.323 14.291 5.297 1.00 32.22 C ATOM 473 CD ARG A 30 -10.228 14.446 6.529 1.00 61.42 C ATOM 474 NE ARG A 30 -11.326 15.404 6.318 1.00 74.33 N ATOM 475 CZ ARG A 30 -11.253 16.742 6.365 1.00 54.25 C ATOM 476 NH1 ARG A 30 -10.112 17.379 6.593 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -12.344 17.474 6.192 1.00 42.22 N ATOM 0 H ARG A 30 -7.026 10.790 4.354 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.804 13.484 3.375 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -9.658 12.255 4.643 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.626 12.387 6.054 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -8.453 14.939 5.405 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.861 14.626 4.410 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.646 13.474 6.791 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -9.626 14.773 7.377 1.00 61.42 H new ATOM 0 HE ARG A 30 -12.243 15.006 6.114 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -9.253 16.849 6.739 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -10.094 18.398 6.622 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -13.241 17.020 6.023 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -12.286 18.492 6.228 1.00 42.22 H new ATOM 491 N PRO A 31 -5.337 13.771 4.173 1.00 42.22 N ATOM 492 CA PRO A 31 -4.089 14.199 4.788 1.00 54.35 C ATOM 493 C PRO A 31 -4.336 15.395 5.703 1.00 4.11 C ATOM 494 O PRO A 31 -5.289 16.151 5.491 1.00 74.21 O ATOM 495 CB PRO A 31 -3.161 14.553 3.622 1.00 32.13 C ATOM 496 CG PRO A 31 -4.120 14.936 2.495 1.00 42.02 C ATOM 497 CD PRO A 31 -5.321 14.026 2.738 1.00 44.54 C ATOM 0 HA PRO A 31 -3.645 13.425 5.415 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -2.495 15.377 3.877 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.531 13.709 3.342 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.396 15.989 2.542 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.677 14.766 1.514 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.246 14.503 2.415 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.228 13.097 2.176 1.00 44.54 H new ATOM 505 N GLU A 32 -3.468 15.602 6.692 1.00 1.13 N ATOM 506 CA GLU A 32 -3.449 16.832 7.481 1.00 30.44 C ATOM 507 C GLU A 32 -2.768 17.952 6.683 1.00 4.33 C ATOM 508 O GLU A 32 -2.168 17.672 5.646 1.00 30.13 O ATOM 509 CB GLU A 32 -2.802 16.561 8.846 1.00 33.11 C ATOM 510 CG GLU A 32 -1.307 16.209 8.817 1.00 14.44 C ATOM 511 CD GLU A 32 -0.858 15.376 10.021 1.00 31.31 C ATOM 512 OE1 GLU A 32 -1.541 15.339 11.074 1.00 41.22 O ATOM 513 OE2 GLU A 32 0.147 14.643 9.904 1.00 23.13 O1- ATOM 0 H GLU A 32 -2.759 14.923 6.968 1.00 1.13 H new ATOM 0 HA GLU A 32 -4.463 17.175 7.684 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -2.937 17.443 9.473 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -3.340 15.743 9.326 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -1.088 15.659 7.902 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -0.725 17.130 8.783 1.00 14.44 H new ATOM 520 N LYS A 33 -2.841 19.203 7.151 1.00 52.24 N ATOM 521 CA LYS A 33 -2.245 20.397 6.538 1.00 32.14 C ATOM 522 C LYS A 33 -1.671 21.329 7.611 1.00 2.41 C ATOM 523 O LYS A 33 -1.720 22.554 7.488 1.00 0.40 O ATOM 524 CB LYS A 33 -3.216 21.101 5.563 1.00 62.42 C ATOM 525 CG LYS A 33 -3.119 20.439 4.182 1.00 63.41 C ATOM 526 CD LYS A 33 -3.800 21.231 3.063 1.00 51.51 C ATOM 527 CE LYS A 33 -3.548 20.489 1.746 1.00 43.22 C ATOM 528 NZ LYS A 33 -3.954 21.290 0.576 1.00 43.21 N1+ ATOM 0 H LYS A 33 -3.343 19.422 8.012 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.406 20.078 5.919 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -4.237 21.036 5.939 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -2.970 22.160 5.489 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -2.068 20.303 3.929 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -3.566 19.446 4.234 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -4.870 21.319 3.253 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -3.400 22.244 3.014 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -2.490 20.241 1.666 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -4.097 19.547 1.749 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -3.767 20.752 -0.294 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -4.969 21.506 0.638 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -3.412 22.177 0.558 1.00 43.21 H new ATOM 542 N GLY A 34 -1.122 20.772 8.689 1.00 62.23 N ATOM 543 CA GLY A 34 -0.529 21.557 9.757 1.00 43.33 C ATOM 544 C GLY A 34 0.847 22.116 9.418 1.00 1.12 C ATOM 545 O GLY A 34 1.341 22.976 10.137 1.00 35.04 O ATOM 0 H GLY A 34 -1.078 19.764 8.842 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.196 22.383 10.002 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.449 20.937 10.650 1.00 43.33 H new ATOM 549 N LEU A 35 1.488 21.661 8.349 1.00 20.30 N ATOM 550 CA LEU A 35 2.918 21.783 8.155 1.00 75.01 C ATOM 551 C LEU A 35 3.199 22.676 6.954 1.00 50.32 C ATOM 552 O LEU A 35 2.292 23.240 6.330 1.00 62.14 O ATOM 553 CB LEU A 35 3.495 20.371 7.954 1.00 30.55 C ATOM 554 CG LEU A 35 3.232 19.391 9.117 1.00 75.10 C ATOM 555 CD1 LEU A 35 3.451 17.973 8.600 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.146 19.676 10.310 1.00 10.10 C ATOM 0 H LEU A 35 1.014 21.188 7.580 1.00 20.30 H new ATOM 0 HA LEU A 35 3.391 22.242 9.023 1.00 75.01 H new ATOM 0 HB2 LEU A 35 3.075 19.949 7.041 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.571 20.452 7.803 1.00 30.55 H new ATOM 0 HG LEU A 35 2.207 19.513 9.468 1.00 75.10 H new ATOM 0 HD11 LEU A 35 3.271 17.260 9.405 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.762 17.775 7.779 1.00 74.41 H new ATOM 0 HD13 LEU A 35 4.477 17.869 8.246 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.932 18.967 11.110 1.00 10.10 H new ATOM 0 HD22 LEU A 35 5.187 19.574 10.003 1.00 10.10 H new ATOM 0 HD23 LEU A 35 3.971 20.690 10.669 1.00 10.10 H new ATOM 568 N SER A 36 4.477 22.767 6.625 1.00 13.30 N ATOM 569 CA SER A 36 4.984 23.389 5.428 1.00 21.20 C ATOM 570 C SER A 36 4.677 22.512 4.208 1.00 65.31 C ATOM 571 O SER A 36 4.523 21.299 4.326 1.00 60.15 O ATOM 572 CB SER A 36 6.489 23.672 5.528 1.00 50.44 C ATOM 573 OG SER A 36 6.856 24.243 6.768 1.00 62.23 O ATOM 0 H SER A 36 5.217 22.390 7.217 1.00 13.30 H new ATOM 0 HA SER A 36 4.482 24.349 5.310 1.00 21.20 H new ATOM 0 HB2 SER A 36 7.040 22.742 5.384 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.782 24.345 4.722 1.00 50.44 H new ATOM 0 HG SER A 36 7.823 24.402 6.782 1.00 62.23 H new ATOM 579 N GLU A 37 4.646 23.115 3.023 1.00 43.12 N ATOM 580 CA GLU A 37 4.256 22.466 1.775 1.00 23.33 C ATOM 581 C GLU A 37 5.141 21.267 1.411 1.00 0.42 C ATOM 582 O GLU A 37 4.614 20.222 1.026 1.00 53.05 O ATOM 583 CB GLU A 37 4.194 23.508 0.648 1.00 4.24 C ATOM 584 CG GLU A 37 5.491 24.317 0.470 1.00 51.34 C ATOM 585 CD GLU A 37 5.372 25.466 -0.535 1.00 10.03 C ATOM 586 OE1 GLU A 37 4.254 26.014 -0.699 1.00 20.55 O ATOM 587 OE2 GLU A 37 6.426 25.841 -1.091 1.00 32.52 O1- ATOM 0 H GLU A 37 4.898 24.096 2.901 1.00 43.12 H new ATOM 0 HA GLU A 37 3.261 22.044 1.919 1.00 23.33 H new ATOM 0 HB2 GLU A 37 3.963 23.001 -0.289 1.00 4.24 H new ATOM 0 HB3 GLU A 37 3.373 24.197 0.849 1.00 4.24 H new ATOM 0 HG2 GLU A 37 5.791 24.722 1.437 1.00 51.34 H new ATOM 0 HG3 GLU A 37 6.286 23.645 0.146 1.00 51.34 H new ATOM 594 N ARG A 38 6.471 21.387 1.506 1.00 21.15 N ATOM 595 CA ARG A 38 7.366 20.289 1.131 1.00 61.30 C ATOM 596 C ARG A 38 7.266 19.127 2.121 1.00 25.54 C ATOM 597 O ARG A 38 7.406 17.975 1.716 1.00 2.34 O ATOM 598 CB ARG A 38 8.817 20.786 0.981 1.00 12.35 C ATOM 599 CG ARG A 38 9.704 19.735 0.284 1.00 63.40 C ATOM 600 CD ARG A 38 11.171 20.160 0.186 1.00 71.42 C ATOM 601 NE ARG A 38 11.396 21.235 -0.797 1.00 64.41 N ATOM 602 CZ ARG A 38 12.525 21.943 -0.920 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.576 21.669 -0.157 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 12.594 22.923 -1.809 1.00 51.23 N ATOM 0 H ARG A 38 6.947 22.227 1.837 1.00 21.15 H new ATOM 0 HA ARG A 38 7.046 19.912 0.159 1.00 61.30 H new ATOM 0 HB2 ARG A 38 8.828 21.712 0.406 1.00 12.35 H new ATOM 0 HB3 ARG A 38 9.228 21.016 1.964 1.00 12.35 H new ATOM 0 HG2 ARG A 38 9.640 18.794 0.830 1.00 63.40 H new ATOM 0 HG3 ARG A 38 9.318 19.549 -0.718 1.00 63.40 H new ATOM 0 HD2 ARG A 38 11.513 20.494 1.166 1.00 71.42 H new ATOM 0 HD3 ARG A 38 11.777 19.295 -0.085 1.00 71.42 H new ATOM 0 HE ARG A 38 10.631 21.457 -1.434 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.526 20.915 0.528 1.00 14.30 H new ATOM 0 HH12 ARG A 38 14.434 22.212 -0.256 1.00 14.30 H new ATOM 0 HH21 ARG A 38 11.788 23.136 -2.397 1.00 51.23 H new ATOM 0 HH22 ARG A 38 13.453 23.465 -1.905 1.00 51.23 H new ATOM 618 N GLU A 39 6.946 19.398 3.391 1.00 34.32 N ATOM 619 CA GLU A 39 6.828 18.364 4.417 1.00 22.23 C ATOM 620 C GLU A 39 5.763 17.346 4.038 1.00 4.10 C ATOM 621 O GLU A 39 5.908 16.170 4.366 1.00 34.05 O ATOM 622 CB GLU A 39 6.435 18.960 5.777 1.00 71.25 C ATOM 623 CG GLU A 39 7.419 20.009 6.293 1.00 31.04 C ATOM 624 CD GLU A 39 8.807 19.457 6.618 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.979 18.221 6.751 1.00 73.33 O ATOM 626 OE2 GLU A 39 9.727 20.295 6.749 1.00 14.54 O1- ATOM 0 H GLU A 39 6.762 20.341 3.733 1.00 34.32 H new ATOM 0 HA GLU A 39 7.806 17.888 4.490 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.446 19.411 5.694 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.358 18.155 6.508 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.519 20.796 5.546 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.004 20.471 7.189 1.00 31.04 H new ATOM 633 N GLN A 40 4.710 17.806 3.352 1.00 75.44 N ATOM 634 CA GLN A 40 3.615 16.981 2.871 1.00 33.21 C ATOM 635 C GLN A 40 4.140 15.933 1.913 1.00 45.12 C ATOM 636 O GLN A 40 3.747 14.775 2.014 1.00 73.12 O ATOM 637 CB GLN A 40 2.572 17.859 2.156 1.00 44.22 C ATOM 638 CG GLN A 40 2.069 19.046 2.982 1.00 34.02 C ATOM 639 CD GLN A 40 1.407 18.535 4.242 1.00 3.44 C ATOM 640 OE1 GLN A 40 2.176 18.156 5.245 1.00 24.20 O flip ATOM 641 NE2 GLN A 40 0.201 18.381 4.294 1.00 2.34 N flip ATOM 0 H GLN A 40 4.601 18.792 3.114 1.00 75.44 H new ATOM 0 HA GLN A 40 3.146 16.486 3.721 1.00 33.21 H new ATOM 0 HB2 GLN A 40 3.006 18.235 1.229 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.720 17.238 1.880 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.899 19.705 3.236 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.361 19.635 2.399 1.00 34.02 H new ATOM 0 HE21 GLN A 40 -0.385 18.677 3.514 1.00 2.34 H new ATOM 0 HE22 GLN A 40 -0.224 17.956 5.118 1.00 2.34 H new ATOM 650 N LEU A 41 4.995 16.356 0.982 1.00 41.12 N ATOM 651 CA LEU A 41 5.560 15.515 -0.045 1.00 15.34 C ATOM 652 C LEU A 41 6.388 14.433 0.631 1.00 23.34 C ATOM 653 O LEU A 41 6.252 13.261 0.294 1.00 52.42 O ATOM 654 CB LEU A 41 6.420 16.398 -0.958 1.00 21.03 C ATOM 655 CG LEU A 41 6.594 15.856 -2.380 1.00 0.11 C ATOM 656 CD1 LEU A 41 5.256 15.838 -3.130 1.00 22.31 C ATOM 657 CD2 LEU A 41 7.560 16.776 -3.127 1.00 65.33 C ATOM 0 H LEU A 41 5.316 17.323 0.930 1.00 41.12 H new ATOM 0 HA LEU A 41 4.791 15.033 -0.649 1.00 15.34 H new ATOM 0 HB2 LEU A 41 5.971 17.390 -1.012 1.00 21.03 H new ATOM 0 HB3 LEU A 41 7.404 16.518 -0.505 1.00 21.03 H new ATOM 0 HG LEU A 41 6.976 14.837 -2.327 1.00 0.11 H new ATOM 0 HD11 LEU A 41 5.408 15.449 -4.137 1.00 22.31 H new ATOM 0 HD12 LEU A 41 4.549 15.201 -2.598 1.00 22.31 H new ATOM 0 HD13 LEU A 41 4.858 16.851 -3.189 1.00 22.31 H new ATOM 0 HD21 LEU A 41 7.699 16.409 -4.144 1.00 65.33 H new ATOM 0 HD22 LEU A 41 7.150 17.785 -3.159 1.00 65.33 H new ATOM 0 HD23 LEU A 41 8.520 16.791 -2.612 1.00 65.33 H new ATOM 669 N GLU A 42 7.224 14.810 1.599 1.00 33.24 N ATOM 670 CA GLU A 42 8.030 13.887 2.375 1.00 33.03 C ATOM 671 C GLU A 42 7.149 12.865 3.095 1.00 40.42 C ATOM 672 O GLU A 42 7.418 11.655 3.042 1.00 21.43 O ATOM 673 CB GLU A 42 8.999 14.675 3.275 1.00 30.51 C ATOM 674 CG GLU A 42 10.459 14.425 2.845 1.00 14.32 C ATOM 675 CD GLU A 42 11.311 15.680 2.944 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.118 16.599 2.118 1.00 44.20 O ATOM 677 OE2 GLU A 42 12.244 15.696 3.786 1.00 2.14 O1- ATOM 0 H GLU A 42 7.357 15.786 1.865 1.00 33.24 H new ATOM 0 HA GLU A 42 8.661 13.284 1.722 1.00 33.03 H new ATOM 0 HB2 GLU A 42 8.774 15.740 3.217 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.864 14.376 4.315 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.891 13.644 3.471 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.476 14.057 1.819 1.00 14.32 H new ATOM 684 N HIS A 43 6.049 13.342 3.686 1.00 44.33 N ATOM 685 CA HIS A 43 5.085 12.488 4.360 1.00 44.01 C ATOM 686 C HIS A 43 4.452 11.482 3.392 1.00 54.41 C ATOM 687 O HIS A 43 4.252 10.324 3.765 1.00 14.03 O ATOM 688 CB HIS A 43 4.000 13.330 5.042 1.00 30.04 C ATOM 689 CG HIS A 43 3.531 12.682 6.326 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.829 11.513 6.431 1.00 21.13 N flip ATOM 691 CD2 HIS A 43 3.821 13.092 7.611 1.00 25.41 C flip ATOM 692 CE1 HIS A 43 2.740 11.174 7.788 1.00 13.25 C flip ATOM 693 NE2 HIS A 43 3.324 12.179 8.465 1.00 71.41 N flip ATOM 0 H HIS A 43 5.808 14.333 3.707 1.00 44.33 H new ATOM 0 HA HIS A 43 5.622 11.924 5.123 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.389 14.326 5.255 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.155 13.456 4.365 1.00 30.04 H new ATOM 0 HD2 HIS A 43 4.355 13.990 7.884 1.00 25.41 H new ATOM 0 HE1 HIS A 43 2.292 10.284 8.206 1.00 13.25 H new ATOM 0 HE2 HIS A 43 3.382 12.240 9.482 1.00 71.41 H new ATOM 701 N THR A 44 4.209 11.876 2.136 1.00 62.13 N ATOM 702 CA THR A 44 3.718 10.956 1.113 1.00 71.14 C ATOM 703 C THR A 44 4.742 9.830 0.913 1.00 32.51 C ATOM 704 O THR A 44 4.345 8.673 0.787 1.00 73.14 O ATOM 705 CB THR A 44 3.463 11.695 -0.215 1.00 22.00 C ATOM 706 OG1 THR A 44 2.691 12.863 -0.044 1.00 22.10 O ATOM 707 CG2 THR A 44 2.784 10.820 -1.276 1.00 62.22 C ATOM 0 H THR A 44 4.347 12.831 1.807 1.00 62.13 H new ATOM 0 HA THR A 44 2.770 10.531 1.443 1.00 71.14 H new ATOM 0 HB THR A 44 4.459 11.963 -0.567 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.179 13.498 0.520 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.634 11.402 -2.186 1.00 62.22 H new ATOM 0 HG22 THR A 44 3.415 9.959 -1.496 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.820 10.477 -0.902 1.00 62.22 H new ATOM 715 N ARG A 45 6.049 10.136 0.863 1.00 24.01 N ATOM 716 CA ARG A 45 7.067 9.117 0.607 1.00 72.21 C ATOM 717 C ARG A 45 7.145 8.173 1.800 1.00 64.44 C ATOM 718 O ARG A 45 7.194 6.961 1.601 1.00 71.53 O ATOM 719 CB ARG A 45 8.465 9.685 0.277 1.00 64.22 C ATOM 720 CG ARG A 45 8.541 11.099 -0.325 1.00 11.44 C ATOM 721 CD ARG A 45 7.744 11.387 -1.611 1.00 54.04 C ATOM 722 NE ARG A 45 8.569 11.311 -2.820 1.00 4.24 N ATOM 723 CZ ARG A 45 9.347 12.274 -3.324 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.571 13.419 -2.681 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 9.909 12.071 -4.510 1.00 0.40 N ATOM 0 H ARG A 45 6.419 11.077 0.996 1.00 24.01 H new ATOM 0 HA ARG A 45 6.753 8.582 -0.289 1.00 72.21 H new ATOM 0 HB2 ARG A 45 9.054 9.679 1.194 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.950 8.999 -0.417 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.209 11.804 0.437 1.00 11.44 H new ATOM 0 HG3 ARG A 45 9.589 11.319 -0.527 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.923 10.674 -1.691 1.00 54.04 H new ATOM 0 HD3 ARG A 45 7.299 12.380 -1.542 1.00 54.04 H new ATOM 0 HE ARG A 45 8.547 10.429 -3.332 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.142 13.585 -1.770 1.00 25.00 H new ATOM 0 HH12 ARG A 45 10.171 14.130 -3.099 1.00 25.00 H new ATOM 0 HH21 ARG A 45 9.742 11.198 -5.011 1.00 0.40 H new ATOM 0 HH22 ARG A 45 10.508 12.788 -4.920 1.00 0.40 H new ATOM 739 N GLN A 46 7.144 8.697 3.031 1.00 54.25 N ATOM 740 CA GLN A 46 7.194 8.011 4.267 1.00 14.35 C ATOM 741 C GLN A 46 6.005 7.070 4.444 1.00 34.32 C ATOM 742 O GLN A 46 6.164 5.915 4.833 1.00 63.33 O ATOM 743 CB GLN A 46 7.182 9.206 5.231 1.00 1.03 C ATOM 744 CG GLN A 46 6.968 8.679 6.598 1.00 71.03 C ATOM 745 CD GLN A 46 7.437 9.562 7.739 1.00 64.21 C ATOM 746 OE1 GLN A 46 8.608 9.504 8.114 1.00 2.51 O ATOM 747 NE2 GLN A 46 6.554 10.364 8.310 1.00 72.22 N ATOM 0 H GLN A 46 7.104 9.707 3.167 1.00 54.25 H new ATOM 0 HA GLN A 46 8.044 7.342 4.401 1.00 14.35 H new ATOM 0 HB2 GLN A 46 8.124 9.752 5.175 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.391 9.906 4.963 1.00 1.03 H new ATOM 0 HG2 GLN A 46 5.903 8.488 6.728 1.00 71.03 H new ATOM 0 HG3 GLN A 46 7.476 7.718 6.678 1.00 71.03 H new ATOM 0 HE21 GLN A 46 5.592 10.386 7.973 1.00 72.22 H new ATOM 0 HE22 GLN A 46 6.835 10.961 9.088 1.00 72.22 H new ATOM 756 N CYS A 47 4.806 7.553 4.132 1.00 43.24 N ATOM 757 CA CYS A 47 3.605 6.744 4.097 1.00 44.42 C ATOM 758 C CYS A 47 3.724 5.650 3.045 1.00 2.22 C ATOM 759 O CYS A 47 3.556 4.493 3.408 1.00 63.24 O ATOM 760 CB CYS A 47 2.413 7.657 3.841 1.00 3.33 C ATOM 761 SG CYS A 47 1.809 8.323 5.409 1.00 22.35 S ATOM 0 H CYS A 47 4.646 8.532 3.894 1.00 43.24 H new ATOM 0 HA CYS A 47 3.462 6.241 5.053 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.702 8.471 3.176 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.619 7.103 3.340 1.00 3.33 H new ATOM 0 HG CYS A 47 2.307 9.509 5.597 1.00 22.35 H new ATOM 767 N LEU A 48 4.092 5.990 1.802 1.00 4.13 N ATOM 768 CA LEU A 48 4.219 5.027 0.708 1.00 3.12 C ATOM 769 C LEU A 48 5.120 3.885 1.119 1.00 50.02 C ATOM 770 O LEU A 48 4.719 2.733 0.972 1.00 33.14 O ATOM 771 CB LEU A 48 4.809 5.685 -0.562 1.00 72.14 C ATOM 772 CG LEU A 48 3.768 6.314 -1.497 1.00 60.44 C ATOM 773 CD1 LEU A 48 4.446 7.312 -2.442 1.00 73.51 C ATOM 774 CD2 LEU A 48 3.079 5.254 -2.369 1.00 44.04 C ATOM 0 H LEU A 48 4.311 6.948 1.529 1.00 4.13 H new ATOM 0 HA LEU A 48 3.218 4.658 0.484 1.00 3.12 H new ATOM 0 HB2 LEU A 48 5.519 6.455 -0.260 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.370 4.934 -1.117 1.00 72.14 H new ATOM 0 HG LEU A 48 3.029 6.807 -0.865 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.699 7.753 -3.102 1.00 73.51 H new ATOM 0 HD12 LEU A 48 4.924 8.098 -1.858 1.00 73.51 H new ATOM 0 HD13 LEU A 48 5.197 6.795 -3.039 1.00 73.51 H new ATOM 0 HD21 LEU A 48 2.348 5.736 -3.018 1.00 44.04 H new ATOM 0 HD22 LEU A 48 3.825 4.743 -2.978 1.00 44.04 H new ATOM 0 HD23 LEU A 48 2.574 4.529 -1.730 1.00 44.04 H new ATOM 786 N ILE A 49 6.350 4.180 1.555 1.00 4.15 N ATOM 787 CA ILE A 49 7.276 3.115 1.900 1.00 22.35 C ATOM 788 C ILE A 49 6.690 2.252 3.018 1.00 73.31 C ATOM 789 O ILE A 49 6.684 1.034 2.879 1.00 54.42 O ATOM 790 CB ILE A 49 8.742 3.571 2.102 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.988 4.561 3.260 1.00 3.42 C ATOM 792 CG2 ILE A 49 9.265 4.173 0.783 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.373 3.874 4.575 1.00 33.54 C ATOM 0 H ILE A 49 6.714 5.126 1.673 1.00 4.15 H new ATOM 0 HA ILE A 49 7.379 2.468 1.029 1.00 22.35 H new ATOM 0 HB ILE A 49 9.288 2.672 2.389 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.780 5.253 2.975 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.088 5.155 3.419 1.00 3.42 H new ATOM 0 HG21 ILE A 49 10.297 4.497 0.915 1.00 45.11 H new ATOM 0 HG22 ILE A 49 9.219 3.420 -0.004 1.00 45.11 H new ATOM 0 HG23 ILE A 49 8.649 5.028 0.504 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.531 4.628 5.346 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.572 3.202 4.883 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.290 3.303 4.432 1.00 33.54 H new ATOM 805 N LYS A 50 6.125 2.847 4.074 1.00 54.03 N ATOM 806 CA LYS A 50 5.679 2.073 5.225 1.00 10.45 C ATOM 807 C LYS A 50 4.449 1.228 4.891 1.00 65.14 C ATOM 808 O LYS A 50 4.414 0.056 5.258 1.00 21.01 O ATOM 809 CB LYS A 50 5.477 3.015 6.428 1.00 64.21 C ATOM 810 CG LYS A 50 5.536 2.304 7.789 1.00 11.34 C ATOM 811 CD LYS A 50 6.961 1.836 8.139 1.00 30.02 C ATOM 812 CE LYS A 50 6.934 0.752 9.219 1.00 53.21 C ATOM 813 NZ LYS A 50 8.138 -0.103 9.168 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.969 3.852 4.151 1.00 54.03 H new ATOM 0 HA LYS A 50 6.448 1.352 5.503 1.00 10.45 H new ATOM 0 HB2 LYS A 50 6.241 3.792 6.401 1.00 64.21 H new ATOM 0 HB3 LYS A 50 4.512 3.513 6.330 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.176 2.979 8.566 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.866 1.445 7.778 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.451 1.451 7.245 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.551 2.684 8.485 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.861 1.219 10.201 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.044 0.135 9.093 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 8.083 -0.825 9.915 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.194 -0.568 8.240 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.986 0.482 9.314 1.00 51.25 H new ATOM 827 N ILE A 51 3.448 1.785 4.201 1.00 24.51 N ATOM 828 CA ILE A 51 2.258 1.048 3.793 1.00 1.44 C ATOM 829 C ILE A 51 2.690 -0.083 2.860 1.00 1.23 C ATOM 830 O ILE A 51 2.323 -1.239 3.082 1.00 42.41 O ATOM 831 CB ILE A 51 1.208 1.966 3.117 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.724 3.091 4.065 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.004 1.129 2.672 1.00 64.43 C ATOM 834 CD1 ILE A 51 0.188 4.305 3.295 1.00 62.13 C ATOM 0 H ILE A 51 3.445 2.763 3.911 1.00 24.51 H new ATOM 0 HA ILE A 51 1.772 0.635 4.677 1.00 1.44 H new ATOM 0 HB ILE A 51 1.688 2.431 2.256 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.058 2.703 4.718 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.548 3.404 4.706 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.740 1.778 2.197 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.320 0.368 1.962 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.452 0.647 3.541 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.140 5.068 4.001 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.977 4.711 2.662 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.654 3.999 2.674 1.00 62.13 H new ATOM 846 N GLY A 52 3.435 0.243 1.801 1.00 60.25 N ATOM 847 CA GLY A 52 3.775 -0.711 0.763 1.00 12.12 C ATOM 848 C GLY A 52 4.655 -1.832 1.305 1.00 41.42 C ATOM 849 O GLY A 52 4.577 -2.957 0.800 1.00 1.12 O ATOM 0 H GLY A 52 3.815 1.177 1.646 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.863 -1.134 0.342 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.293 -0.199 -0.048 1.00 12.12 H new ATOM 853 N ASP A 53 5.480 -1.552 2.312 1.00 15.43 N ATOM 854 CA ASP A 53 6.346 -2.524 2.957 1.00 23.03 C ATOM 855 C ASP A 53 5.554 -3.452 3.878 1.00 4.51 C ATOM 856 O ASP A 53 5.712 -4.667 3.771 1.00 64.45 O ATOM 857 CB ASP A 53 7.459 -1.797 3.701 1.00 51.04 C ATOM 858 CG ASP A 53 8.549 -2.782 4.075 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.412 -3.491 5.088 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.542 -2.866 3.308 1.00 2.34 O ATOM 0 H ASP A 53 5.563 -0.616 2.709 1.00 15.43 H new ATOM 0 HA ASP A 53 6.798 -3.159 2.195 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.870 -1.004 3.076 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.061 -1.322 4.598 1.00 51.04 H new ATOM 865 N HIS A 54 4.648 -2.914 4.703 1.00 4.14 N ATOM 866 CA HIS A 54 3.778 -3.731 5.550 1.00 61.14 C ATOM 867 C HIS A 54 2.838 -4.613 4.724 1.00 71.00 C ATOM 868 O HIS A 54 2.471 -5.699 5.180 1.00 13.33 O ATOM 869 CB HIS A 54 2.976 -2.845 6.513 1.00 31.12 C ATOM 870 CG HIS A 54 3.689 -2.632 7.820 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.772 -3.547 8.843 1.00 41.41 N ATOM 872 CD2 HIS A 54 4.398 -1.529 8.193 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.507 -3.000 9.824 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.889 -1.756 9.481 1.00 52.53 N ATOM 0 H HIS A 54 4.500 -1.910 4.800 1.00 4.14 H new ATOM 0 HA HIS A 54 4.420 -4.393 6.131 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.787 -1.880 6.043 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.005 -3.303 6.702 1.00 31.12 H new ATOM 0 HD1 HIS A 54 3.350 -4.476 8.854 1.00 41.41 H new ATOM 0 HD2 HIS A 54 4.552 -0.640 7.600 1.00 41.53 H new ATOM 0 HE1 HIS A 54 4.756 -3.488 10.755 1.00 33.05 H new ATOM 882 N ILE A 55 2.465 -4.186 3.515 1.00 14.30 N ATOM 883 CA ILE A 55 1.835 -5.059 2.529 1.00 11.25 C ATOM 884 C ILE A 55 2.851 -6.140 2.118 1.00 40.53 C ATOM 885 O ILE A 55 2.560 -7.333 2.228 1.00 21.05 O ATOM 886 CB ILE A 55 1.262 -4.191 1.383 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.083 -3.353 1.927 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.788 -4.982 0.156 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.502 -2.327 0.954 1.00 63.25 C ATOM 0 H ILE A 55 2.592 -3.226 3.195 1.00 14.30 H new ATOM 0 HA ILE A 55 0.977 -5.602 2.924 1.00 11.25 H new ATOM 0 HB ILE A 55 2.085 -3.565 1.039 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.713 -4.033 2.232 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.416 -2.829 2.823 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.403 -4.292 -0.595 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.625 -5.542 -0.261 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.001 -5.674 0.452 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.322 -1.795 1.436 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.272 -1.616 0.666 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.873 -2.838 0.066 1.00 63.25 H new ATOM 901 N THR A 56 4.041 -5.740 1.657 1.00 5.22 N ATOM 902 CA THR A 56 5.060 -6.650 1.145 1.00 13.14 C ATOM 903 C THR A 56 5.328 -7.821 2.108 1.00 44.41 C ATOM 904 O THR A 56 5.349 -8.968 1.644 1.00 3.10 O ATOM 905 CB THR A 56 6.339 -5.873 0.767 1.00 23.42 C ATOM 906 OG1 THR A 56 6.060 -4.937 -0.261 1.00 70.12 O ATOM 907 CG2 THR A 56 7.462 -6.764 0.232 1.00 44.22 C ATOM 0 H THR A 56 4.323 -4.760 1.631 1.00 5.22 H new ATOM 0 HA THR A 56 4.680 -7.108 0.232 1.00 13.14 H new ATOM 0 HB THR A 56 6.664 -5.398 1.693 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.688 -4.120 0.133 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.329 -6.150 -0.013 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.739 -7.496 0.991 1.00 44.22 H new ATOM 0 HG23 THR A 56 7.120 -7.282 -0.664 1.00 44.22 H new ATOM 915 N GLU A 57 5.525 -7.556 3.406 1.00 33.02 N ATOM 916 CA GLU A 57 5.820 -8.592 4.399 1.00 24.11 C ATOM 917 C GLU A 57 4.639 -9.553 4.583 1.00 32.24 C ATOM 918 O GLU A 57 4.828 -10.765 4.536 1.00 3.40 O ATOM 919 CB GLU A 57 6.408 -7.999 5.689 1.00 61.11 C ATOM 920 CG GLU A 57 5.387 -7.299 6.573 1.00 73.54 C ATOM 921 CD GLU A 57 4.852 -8.160 7.729 1.00 61.31 C ATOM 922 OE1 GLU A 57 5.646 -8.761 8.490 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 3.615 -8.179 7.943 1.00 1.40 O ATOM 0 H GLU A 57 5.484 -6.614 3.796 1.00 33.02 H new ATOM 0 HA GLU A 57 6.620 -9.226 4.016 1.00 24.11 H new ATOM 0 HB2 GLU A 57 6.881 -8.798 6.261 1.00 61.11 H new ATOM 0 HB3 GLU A 57 7.192 -7.289 5.425 1.00 61.11 H new ATOM 0 HG2 GLU A 57 5.840 -6.398 6.987 1.00 73.54 H new ATOM 0 HG3 GLU A 57 4.548 -6.980 5.955 1.00 73.54 H new ATOM 930 N CYS A 58 3.418 -9.023 4.677 1.00 11.34 N ATOM 931 CA CYS A 58 2.192 -9.810 4.759 1.00 0.31 C ATOM 932 C CYS A 58 2.086 -10.817 3.611 1.00 73.23 C ATOM 933 O CYS A 58 1.755 -11.982 3.826 1.00 13.34 O ATOM 934 CB CYS A 58 0.984 -8.867 4.748 1.00 31.54 C ATOM 935 SG CYS A 58 0.651 -8.269 6.426 1.00 43.24 S ATOM 0 H CYS A 58 3.254 -8.017 4.698 1.00 11.34 H new ATOM 0 HA CYS A 58 2.212 -10.378 5.689 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.176 -8.024 4.084 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.109 -9.387 4.358 1.00 31.54 H new ATOM 0 HG CYS A 58 1.765 -8.206 7.093 1.00 43.24 H new ATOM 941 N LEU A 59 2.345 -10.375 2.381 1.00 64.12 N ATOM 942 CA LEU A 59 2.249 -11.240 1.214 1.00 53.20 C ATOM 943 C LEU A 59 3.436 -12.192 1.117 1.00 72.32 C ATOM 944 O LEU A 59 3.241 -13.273 0.556 1.00 72.00 O ATOM 945 CB LEU A 59 2.157 -10.464 -0.105 1.00 14.43 C ATOM 946 CG LEU A 59 0.878 -9.674 -0.440 1.00 53.24 C ATOM 947 CD1 LEU A 59 -0.311 -9.958 0.462 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.079 -8.169 -0.473 1.00 3.53 C ATOM 0 H LEU A 59 2.624 -9.417 2.170 1.00 64.12 H new ATOM 0 HA LEU A 59 1.325 -11.800 1.358 1.00 53.20 H new ATOM 0 HB2 LEU A 59 2.989 -9.760 -0.127 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.320 -11.176 -0.914 1.00 14.43 H new ATOM 0 HG LEU A 59 0.650 -10.043 -1.440 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -1.161 -9.354 0.145 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.573 -11.014 0.397 1.00 71.42 H new ATOM 0 HD13 LEU A 59 -0.054 -9.710 1.492 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.135 -7.681 -0.715 1.00 3.53 H new ATOM 0 HD22 LEU A 59 1.425 -7.827 0.502 1.00 3.53 H new ATOM 0 HD23 LEU A 59 1.822 -7.918 -1.230 1.00 3.53 H new ATOM 960 N LYS A 60 4.646 -11.855 1.602 1.00 42.43 N ATOM 961 CA LYS A 60 5.720 -12.853 1.653 1.00 35.12 C ATOM 962 C LYS A 60 5.369 -14.027 2.552 1.00 40.54 C ATOM 963 O LYS A 60 5.997 -15.073 2.408 1.00 41.41 O ATOM 964 CB LYS A 60 7.006 -12.220 2.176 1.00 54.12 C ATOM 965 CG LYS A 60 7.729 -11.398 1.104 1.00 34.15 C ATOM 966 CD LYS A 60 8.585 -10.376 1.837 1.00 11.14 C ATOM 967 CE LYS A 60 9.689 -9.804 0.943 1.00 52.11 C ATOM 968 NZ LYS A 60 10.624 -8.934 1.680 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.896 -10.930 1.952 1.00 42.43 H new ATOM 0 HA LYS A 60 5.856 -13.218 0.635 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.773 -11.579 3.026 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.671 -13.003 2.540 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.346 -12.040 0.476 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.013 -10.903 0.448 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.952 -9.564 2.196 1.00 11.14 H new ATOM 0 HD3 LYS A 60 9.034 -10.842 2.714 1.00 11.14 H new ATOM 0 HE2 LYS A 60 10.244 -10.624 0.488 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.235 -9.237 0.130 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.350 -8.574 1.028 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.102 -8.135 2.093 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 11.080 -9.479 2.440 1.00 72.35 H new ATOM 982 N GLU A 61 4.387 -13.896 3.445 1.00 54.21 N ATOM 983 CA GLU A 61 4.074 -14.982 4.351 1.00 54.40 C ATOM 984 C GLU A 61 3.621 -16.206 3.558 1.00 62.01 C ATOM 985 O GLU A 61 4.011 -17.334 3.887 1.00 3.42 O ATOM 986 CB GLU A 61 2.982 -14.547 5.332 1.00 64.41 C ATOM 987 CG GLU A 61 3.055 -15.416 6.596 1.00 21.14 C ATOM 988 CD GLU A 61 1.708 -15.757 7.244 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.735 -16.088 6.520 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.616 -15.760 8.490 1.00 3.14 O ATOM 0 H GLU A 61 3.809 -13.062 3.554 1.00 54.21 H new ATOM 0 HA GLU A 61 4.967 -15.244 4.918 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.109 -13.496 5.592 1.00 64.41 H new ATOM 0 HB3 GLU A 61 2.001 -14.644 4.867 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.564 -16.347 6.346 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.673 -14.903 7.333 1.00 21.14 H new ATOM 997 N TYR A 62 2.809 -15.972 2.519 1.00 60.23 N ATOM 998 CA TYR A 62 2.145 -17.071 1.829 1.00 13.04 C ATOM 999 C TYR A 62 3.109 -17.845 0.928 1.00 13.02 C ATOM 1000 O TYR A 62 4.090 -17.298 0.413 1.00 51.53 O ATOM 1001 CB TYR A 62 0.942 -16.588 1.016 1.00 44.44 C ATOM 1002 CG TYR A 62 0.000 -15.684 1.756 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.740 -16.223 2.819 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.153 -14.336 1.384 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.670 -15.434 3.504 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.062 -13.536 2.093 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.823 -14.078 3.156 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.679 -13.295 3.863 1.00 10.34 O ATOM 0 H TYR A 62 2.602 -15.045 2.147 1.00 60.23 H new ATOM 0 HA TYR A 62 1.786 -17.747 2.605 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.306 -16.064 0.132 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.387 -17.458 0.665 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.591 -17.252 3.110 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.420 -13.924 0.566 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.267 -15.862 4.295 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.182 -12.497 1.825 1.00 62.34 H new ATOM 0 HH TYR A 62 -2.669 -12.386 3.497 1.00 10.34 H new ATOM 1018 N THR A 63 2.751 -19.101 0.664 1.00 43.11 N ATOM 1019 CA THR A 63 3.543 -20.092 -0.054 1.00 35.33 C ATOM 1020 C THR A 63 2.982 -20.350 -1.456 1.00 12.01 C ATOM 1021 O THR A 63 3.738 -20.749 -2.352 1.00 41.13 O ATOM 1022 CB THR A 63 3.696 -21.369 0.797 1.00 2.33 C ATOM 1023 OG1 THR A 63 4.231 -22.487 0.108 1.00 32.45 O ATOM 1024 CG2 THR A 63 2.380 -21.787 1.422 1.00 31.03 C ATOM 0 H THR A 63 1.849 -19.472 0.963 1.00 43.11 H new ATOM 0 HA THR A 63 4.547 -19.700 -0.214 1.00 35.33 H new ATOM 0 HB THR A 63 4.417 -21.080 1.561 1.00 2.33 H new ATOM 0 HG1 THR A 63 4.295 -23.249 0.721 1.00 32.45 H new ATOM 0 HG21 THR A 63 2.529 -22.690 2.014 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.013 -20.988 2.066 1.00 31.03 H new ATOM 0 HG23 THR A 63 1.650 -21.984 0.636 1.00 31.03 H new ATOM 1032 N ASN A 64 1.680 -20.120 -1.664 1.00 22.12 N ATOM 1033 CA ASN A 64 0.987 -20.558 -2.872 1.00 20.34 C ATOM 1034 C ASN A 64 0.763 -19.386 -3.824 1.00 62.22 C ATOM 1035 O ASN A 64 0.469 -18.278 -3.371 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.337 -21.260 -2.518 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.109 -22.674 -1.999 1.00 21.22 C ATOM 1038 OD1 ASN A 64 1.018 -23.087 -1.745 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.156 -23.459 -1.839 1.00 53.22 N ATOM 0 H ASN A 64 1.083 -19.627 -1.000 1.00 22.12 H new ATOM 0 HA ASN A 64 1.618 -21.283 -3.386 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.866 -20.678 -1.764 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.976 -21.296 -3.400 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.031 -24.414 -1.503 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.091 -23.111 -2.051 1.00 53.22 H new ATOM 1046 N PRO A 65 0.830 -19.622 -5.147 1.00 2.25 N ATOM 1047 CA PRO A 65 0.840 -18.571 -6.159 1.00 15.53 C ATOM 1048 C PRO A 65 -0.500 -17.839 -6.220 1.00 14.03 C ATOM 1049 O PRO A 65 -0.533 -16.630 -6.441 1.00 64.50 O ATOM 1050 CB PRO A 65 1.175 -19.275 -7.476 1.00 31.12 C ATOM 1051 CG PRO A 65 0.697 -20.708 -7.253 1.00 31.01 C ATOM 1052 CD PRO A 65 1.010 -20.919 -5.777 1.00 54.11 C ATOM 0 HA PRO A 65 1.573 -17.797 -5.931 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.665 -18.810 -8.320 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.243 -19.238 -7.689 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.366 -20.821 -7.465 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.226 -21.418 -7.888 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.345 -21.663 -5.338 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.029 -21.282 -5.641 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.601 -18.560 -5.998 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.925 -17.964 -5.877 1.00 32.01 C ATOM 1062 C GLU A 66 -2.936 -16.974 -4.718 1.00 34.31 C ATOM 1063 O GLU A 66 -3.309 -15.824 -4.909 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.986 -19.057 -5.670 1.00 33.45 C ATOM 1065 CG GLU A 66 -4.446 -19.656 -7.005 1.00 24.12 C ATOM 1066 CD GLU A 66 -5.308 -18.664 -7.795 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -6.511 -18.535 -7.466 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -4.750 -18.031 -8.719 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.595 -19.575 -5.898 1.00 13.54 H new ATOM 0 HA GLU A 66 -3.164 -17.431 -6.797 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.578 -19.846 -5.038 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.844 -18.638 -5.144 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.576 -19.938 -7.598 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -5.014 -20.568 -6.820 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.517 -17.395 -3.524 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.561 -16.567 -2.333 1.00 44.41 C ATOM 1077 C GLN A 67 -1.686 -15.335 -2.489 1.00 71.14 C ATOM 1078 O GLN A 67 -2.191 -14.227 -2.326 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.126 -17.388 -1.119 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.303 -17.718 -0.206 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.897 -18.832 0.737 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.771 -19.978 0.315 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.600 -18.539 1.983 1.00 3.24 N ATOM 0 H GLN A 67 -2.136 -18.327 -3.362 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.586 -16.226 -2.184 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.656 -18.313 -1.455 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.374 -16.835 -0.557 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.600 -16.835 0.360 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.166 -18.022 -0.799 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.709 -17.583 2.322 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.261 -19.267 2.611 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.398 -15.502 -2.807 1.00 1.22 N ATOM 1093 CA ILE A 68 0.494 -14.360 -2.980 1.00 12.50 C ATOM 1094 C ILE A 68 -0.087 -13.396 -4.018 1.00 71.12 C ATOM 1095 O ILE A 68 -0.150 -12.203 -3.746 1.00 55.41 O ATOM 1096 CB ILE A 68 1.961 -14.775 -3.249 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.159 -15.594 -4.529 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.538 -15.595 -2.092 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.632 -14.735 -5.702 1.00 33.44 C ATOM 0 H ILE A 68 0.044 -16.411 -2.948 1.00 1.22 H new ATOM 0 HA ILE A 68 0.549 -13.818 -2.036 1.00 12.50 H new ATOM 0 HB ILE A 68 2.484 -13.825 -3.361 1.00 33.42 H new ATOM 0 HG12 ILE A 68 2.887 -16.383 -4.343 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.221 -16.082 -4.794 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.569 -15.868 -2.318 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.511 -15.003 -1.177 1.00 13.44 H new ATOM 0 HG23 ILE A 68 1.945 -16.499 -1.956 1.00 13.44 H new ATOM 0 HD11 ILE A 68 2.757 -15.362 -6.585 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.892 -13.962 -5.908 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.584 -14.268 -5.450 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.568 -13.868 -5.174 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.998 -12.977 -6.250 1.00 12.30 C ATOM 1113 C LYS A 69 -2.360 -12.341 -5.963 1.00 53.31 C ATOM 1114 O LYS A 69 -2.547 -11.154 -6.235 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.965 -13.776 -7.554 1.00 34.45 C ATOM 1116 CG LYS A 69 -0.962 -12.930 -8.838 1.00 41.45 C ATOM 1117 CD LYS A 69 -0.232 -13.688 -9.963 1.00 30.22 C ATOM 1118 CE LYS A 69 -0.804 -15.091 -10.205 1.00 41.34 C ATOM 1119 NZ LYS A 69 -2.031 -15.080 -11.025 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.668 -14.861 -5.385 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.318 -12.129 -6.334 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.077 -14.408 -7.552 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.829 -14.440 -7.577 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -1.986 -12.709 -9.141 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -0.471 -11.974 -8.653 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.297 -13.110 -10.885 1.00 30.22 H new ATOM 0 HD3 LYS A 69 0.826 -13.770 -9.712 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -0.050 -15.705 -10.698 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -1.019 -15.560 -9.245 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -2.371 -16.054 -11.155 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -2.764 -14.519 -10.546 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -1.824 -14.659 -11.953 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.292 -13.088 -5.368 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.601 -12.573 -5.007 1.00 72.22 C ATOM 1135 C GLN A 70 -4.438 -11.541 -3.901 1.00 73.44 C ATOM 1136 O GLN A 70 -4.977 -10.443 -4.007 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.528 -13.705 -4.531 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.979 -13.232 -4.379 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.639 -12.989 -5.723 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.944 -13.947 -6.425 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.853 -11.745 -6.115 1.00 61.54 N ATOM 0 H GLN A 70 -3.153 -14.069 -5.125 1.00 15.42 H new ATOM 0 HA GLN A 70 -5.054 -12.113 -5.886 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.488 -14.530 -5.242 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.170 -14.090 -3.576 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.548 -13.979 -3.825 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.002 -12.314 -3.792 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.589 -10.967 -5.510 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.282 -11.563 -7.022 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.722 -11.879 -2.827 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.552 -10.967 -1.720 1.00 1.41 C ATOM 1152 C TRP A 71 -2.716 -9.754 -2.145 1.00 43.13 C ATOM 1153 O TRP A 71 -3.046 -8.649 -1.719 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.988 -11.684 -0.505 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.942 -12.577 0.216 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.791 -13.901 0.432 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.145 -12.190 0.941 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.810 -14.349 1.245 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.673 -13.338 1.594 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.815 -10.966 1.148 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.816 -13.280 2.406 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.959 -10.894 1.960 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.459 -12.046 2.590 1.00 10.30 C ATOM 0 H TRP A 71 -3.255 -12.779 -2.711 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.528 -10.585 -1.422 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.130 -12.278 -0.821 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.617 -10.936 0.196 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.997 -14.513 0.031 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.912 -15.317 1.551 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.442 -10.070 0.675 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.195 -14.172 2.882 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.458 -9.946 2.101 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.337 -11.982 3.215 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.718 -9.926 -3.034 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.937 -8.824 -3.623 1.00 44.24 C ATOM 1176 C ARG A 72 -1.884 -7.742 -4.134 1.00 25.40 C ATOM 1177 O ARG A 72 -1.718 -6.572 -3.789 1.00 72.43 O ATOM 1178 CB ARG A 72 -0.004 -9.297 -4.762 1.00 20.22 C ATOM 1179 CG ARG A 72 1.429 -9.682 -4.344 1.00 24.51 C ATOM 1180 CD ARG A 72 2.158 -10.381 -5.501 1.00 4.10 C ATOM 1181 NE ARG A 72 3.624 -10.351 -5.332 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.512 -9.747 -6.136 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.147 -9.237 -7.308 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.778 -9.662 -5.755 1.00 74.24 N ATOM 0 H ARG A 72 -1.429 -10.846 -3.366 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.297 -8.421 -2.838 1.00 44.24 H new ATOM 0 HB2 ARG A 72 -0.463 -10.158 -5.248 1.00 20.22 H new ATOM 0 HB3 ARG A 72 0.057 -8.505 -5.508 1.00 20.22 H new ATOM 0 HG2 ARG A 72 1.979 -8.790 -4.046 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.396 -10.341 -3.476 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.822 -11.416 -5.568 1.00 4.10 H new ATOM 0 HD3 ARG A 72 1.892 -9.898 -6.441 1.00 4.10 H new ATOM 0 HE ARG A 72 4.001 -10.840 -4.520 1.00 14.41 H new ATOM 0 HH11 ARG A 72 3.175 -9.301 -7.612 1.00 54.04 H new ATOM 0 HH12 ARG A 72 4.839 -8.782 -7.904 1.00 54.04 H new ATOM 0 HH21 ARG A 72 6.068 -10.053 -4.859 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.462 -9.205 -6.358 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.863 -8.117 -4.970 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.833 -7.157 -5.487 1.00 2.53 C ATOM 1200 C LYS A 73 -4.835 -6.754 -4.405 1.00 1.23 C ATOM 1201 O LYS A 73 -5.138 -5.574 -4.308 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.484 -7.615 -6.811 1.00 34.23 C ATOM 1203 CG LYS A 73 -5.475 -8.790 -6.730 1.00 63.11 C ATOM 1204 CD LYS A 73 -6.194 -9.065 -8.062 1.00 42.23 C ATOM 1205 CE LYS A 73 -5.408 -10.007 -8.987 1.00 22.32 C ATOM 1206 NZ LYS A 73 -6.144 -10.269 -10.244 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.999 -9.073 -5.297 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.292 -6.250 -5.756 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.004 -6.762 -7.246 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.688 -7.890 -7.503 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.940 -9.688 -6.420 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -6.217 -8.579 -5.960 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -7.172 -9.499 -7.857 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -6.366 -8.120 -8.577 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -4.438 -9.567 -9.217 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -5.217 -10.949 -8.472 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -5.586 -10.908 -10.846 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -7.059 -10.711 -10.025 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -6.304 -9.372 -10.746 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.335 -7.681 -3.577 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.395 -7.402 -2.608 1.00 31.13 C ATOM 1222 C ASN A 74 -5.989 -6.275 -1.663 1.00 50.53 C ATOM 1223 O ASN A 74 -6.791 -5.373 -1.448 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.762 -8.623 -1.749 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.586 -9.712 -2.431 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.196 -9.530 -3.484 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.666 -10.881 -1.814 1.00 4.44 N ATOM 0 H ASN A 74 -5.012 -8.648 -3.563 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.263 -7.118 -3.203 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.839 -9.072 -1.383 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.314 -8.273 -0.877 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.233 -11.630 -2.212 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.161 -11.033 -0.941 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.784 -6.324 -1.078 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.323 -5.309 -0.122 1.00 4.53 C ATOM 1236 C LEU A 75 -4.191 -3.956 -0.827 1.00 24.52 C ATOM 1237 O LEU A 75 -4.680 -2.939 -0.327 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.009 -5.746 0.557 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.219 -6.570 1.850 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -4.008 -7.866 1.621 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.871 -6.937 2.481 1.00 54.21 C ATOM 0 H LEU A 75 -4.105 -7.065 -1.253 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.062 -5.201 0.672 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.425 -6.337 -0.149 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.421 -4.859 0.794 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.800 -5.930 2.515 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -4.120 -8.396 2.567 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -4.993 -7.626 1.221 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.472 -8.498 0.912 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -2.040 -7.516 3.389 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.288 -7.530 1.776 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.325 -6.027 2.728 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.594 -3.953 -2.024 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.536 -2.756 -2.846 1.00 2.42 C ATOM 1255 C TRP A 76 -4.942 -2.175 -3.063 1.00 30.11 C ATOM 1256 O TRP A 76 -5.130 -0.991 -2.814 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.789 -3.025 -4.167 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.292 -2.866 -4.130 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.390 -3.763 -4.594 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.503 -1.746 -3.618 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.892 -3.294 -4.382 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.879 -2.065 -3.760 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.810 -0.495 -3.036 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.897 -1.214 -3.305 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.207 0.372 -2.582 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.556 0.001 -2.693 1.00 33.11 C ATOM 0 H TRP A 76 -3.146 -4.770 -2.439 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.960 -1.997 -2.316 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.017 -4.041 -4.489 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.186 -2.353 -4.928 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.636 -4.705 -5.061 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.739 -3.794 -4.651 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.843 -0.197 -2.937 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.934 -1.492 -3.425 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.054 1.325 -2.147 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.329 0.649 -2.308 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.922 -2.980 -3.485 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.308 -2.576 -3.757 1.00 32.02 C ATOM 1279 C ILE A 77 -7.990 -2.073 -2.482 1.00 35.11 C ATOM 1280 O ILE A 77 -8.759 -1.114 -2.515 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.083 -3.746 -4.410 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.495 -3.980 -5.815 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.591 -3.447 -4.511 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.911 -5.302 -6.472 1.00 32.44 C ATOM 0 H ILE A 77 -5.766 -3.974 -3.654 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.305 -1.745 -4.462 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.975 -4.636 -3.790 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.798 -3.157 -6.462 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.407 -3.949 -5.749 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.099 -4.292 -4.975 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.997 -3.283 -3.513 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.745 -2.554 -5.117 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.450 -5.380 -7.457 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.584 -6.136 -5.851 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -8.996 -5.331 -6.576 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.711 -2.724 -1.361 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.231 -2.344 -0.057 1.00 71.52 C ATOM 1298 C PHE A 78 -7.815 -0.912 0.276 1.00 63.24 C ATOM 1299 O PHE A 78 -8.662 -0.134 0.720 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.766 -3.329 1.022 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.229 -2.982 2.422 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.537 -3.294 2.840 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.338 -2.364 3.320 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -9.951 -3.001 4.149 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.753 -2.079 4.634 1.00 12.10 C ATOM 1306 CZ PHE A 78 -9.061 -2.386 5.046 1.00 25.55 C ATOM 0 H PHE A 78 -7.106 -3.545 -1.333 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.320 -2.383 -0.086 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.128 -4.325 0.768 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.677 -3.373 1.012 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.225 -3.761 2.150 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.338 -2.109 3.001 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -10.953 -3.248 4.467 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -7.064 -1.622 5.329 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.382 -2.150 6.050 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.542 -0.555 0.076 1.00 42.13 N ATOM 1317 CA VAL A 79 -6.105 0.817 0.327 1.00 72.11 C ATOM 1318 C VAL A 79 -6.543 1.752 -0.805 1.00 63.14 C ATOM 1319 O VAL A 79 -6.840 2.898 -0.507 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.598 0.900 0.627 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -4.252 2.310 1.139 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -4.208 -0.100 1.731 1.00 22.13 C ATOM 0 H VAL A 79 -5.810 -1.185 -0.253 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.604 1.164 1.232 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.059 0.671 -0.292 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -3.184 2.368 1.351 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.511 3.047 0.379 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.815 2.515 2.050 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -3.139 -0.025 1.928 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.762 0.129 2.642 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.447 -1.112 1.406 1.00 22.13 H new ATOM 1332 N SER A 80 -6.703 1.262 -2.038 1.00 34.12 N ATOM 1333 CA SER A 80 -7.169 1.981 -3.233 1.00 61.41 C ATOM 1334 C SER A 80 -8.494 2.737 -3.041 1.00 21.53 C ATOM 1335 O SER A 80 -8.894 3.519 -3.910 1.00 43.34 O ATOM 1336 CB SER A 80 -7.339 0.951 -4.359 1.00 54.34 C ATOM 1337 OG SER A 80 -7.057 1.415 -5.654 1.00 43.03 O ATOM 0 H SER A 80 -6.497 0.285 -2.244 1.00 34.12 H new ATOM 0 HA SER A 80 -6.423 2.741 -3.465 1.00 61.41 H new ATOM 0 HB2 SER A 80 -6.692 0.099 -4.149 1.00 54.34 H new ATOM 0 HB3 SER A 80 -8.365 0.584 -4.339 1.00 54.34 H new ATOM 0 HG SER A 80 -7.751 2.048 -5.933 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.229 2.466 -1.961 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.446 3.217 -1.634 1.00 53.15 C ATOM 1345 C LYS A 81 -10.147 4.462 -0.803 1.00 44.31 C ATOM 1346 O LYS A 81 -10.820 5.475 -0.957 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.410 2.290 -0.898 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.014 1.279 -1.881 1.00 35.41 C ATOM 1349 CD LYS A 81 -12.195 -0.076 -1.209 1.00 70.23 C ATOM 1350 CE LYS A 81 -13.045 -0.945 -2.135 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.363 -2.243 -1.518 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.002 1.728 -1.294 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.900 3.567 -2.561 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.886 1.765 -0.099 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.203 2.873 -0.429 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.976 1.644 -2.242 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -11.365 1.176 -2.751 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.228 -0.544 -1.026 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -12.681 0.040 -0.240 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.969 -0.421 -2.380 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.513 -1.107 -3.072 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.941 -2.807 -2.174 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -12.481 -2.753 -1.307 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.892 -2.088 -0.636 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.164 4.387 0.083 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.707 5.458 0.958 1.00 3.11 C ATOM 1367 C PHE A 82 -7.561 6.252 0.322 1.00 61.04 C ATOM 1368 O PHE A 82 -6.565 6.513 0.993 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.266 4.818 2.282 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.421 4.320 3.112 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.952 3.047 2.862 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -10.000 5.144 4.093 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -11.051 2.587 3.599 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -11.099 4.683 4.837 1.00 43.31 C ATOM 1375 CZ PHE A 82 -11.628 3.402 4.591 1.00 61.24 C ATOM 0 H PHE A 82 -8.633 3.527 0.218 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.515 6.169 1.130 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.593 3.987 2.070 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.699 5.548 2.860 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.513 2.420 2.100 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -9.600 6.131 4.275 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -11.456 1.605 3.406 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -11.538 5.312 5.598 1.00 43.31 H new ATOM 0 HZ PHE A 82 -12.473 3.046 5.161 1.00 61.24 H new ATOM 1385 N THR A 83 -7.648 6.611 -0.959 1.00 61.12 N ATOM 1386 CA THR A 83 -6.606 7.415 -1.578 1.00 12.22 C ATOM 1387 C THR A 83 -7.107 8.017 -2.891 1.00 51.24 C ATOM 1388 O THR A 83 -8.052 7.509 -3.505 1.00 21.11 O ATOM 1389 CB THR A 83 -5.347 6.539 -1.763 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.260 7.260 -2.313 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.622 5.289 -2.601 1.00 21.44 C ATOM 0 H THR A 83 -8.420 6.360 -1.577 1.00 61.12 H new ATOM 0 HA THR A 83 -6.341 8.256 -0.937 1.00 12.22 H new ATOM 0 HB THR A 83 -5.068 6.220 -0.759 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.488 6.664 -2.409 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.705 4.709 -2.701 1.00 21.44 H new ATOM 0 HG22 THR A 83 -6.384 4.683 -2.111 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.974 5.584 -3.590 1.00 21.44 H new ATOM 1399 N GLU A 84 -6.415 9.051 -3.368 1.00 33.14 N ATOM 1400 CA GLU A 84 -6.530 9.534 -4.735 1.00 74.01 C ATOM 1401 C GLU A 84 -5.777 8.624 -5.715 1.00 43.32 C ATOM 1402 O GLU A 84 -5.993 8.711 -6.924 1.00 63.43 O ATOM 1403 CB GLU A 84 -5.984 10.969 -4.841 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.515 11.951 -3.781 1.00 22.52 C ATOM 1405 CD GLU A 84 -8.029 12.206 -3.789 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -8.810 11.491 -4.460 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -8.453 13.172 -3.113 1.00 15.35 O1- ATOM 0 H GLU A 84 -5.751 9.581 -2.804 1.00 33.14 H new ATOM 0 HA GLU A 84 -7.587 9.526 -5.001 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -4.897 10.934 -4.769 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -6.225 11.361 -5.829 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -6.236 11.575 -2.796 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -6.006 12.906 -3.914 1.00 22.52 H new ATOM 1414 N PHE A 85 -4.875 7.768 -5.227 1.00 73.53 N ATOM 1415 CA PHE A 85 -3.971 6.979 -6.045 1.00 60.43 C ATOM 1416 C PHE A 85 -4.456 5.542 -6.124 1.00 31.05 C ATOM 1417 O PHE A 85 -4.110 4.713 -5.287 1.00 71.34 O ATOM 1418 CB PHE A 85 -2.544 7.082 -5.493 1.00 20.01 C ATOM 1419 CG PHE A 85 -1.868 8.412 -5.778 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.794 8.901 -7.097 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -1.303 9.165 -4.731 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -1.124 10.107 -7.370 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -0.634 10.371 -5.000 1.00 70.20 C ATOM 1424 CZ PHE A 85 -0.526 10.829 -6.324 1.00 71.12 C ATOM 0 H PHE A 85 -4.756 7.606 -4.227 1.00 73.53 H new ATOM 0 HA PHE A 85 -3.958 7.371 -7.062 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -2.570 6.922 -4.415 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -1.941 6.280 -5.920 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -2.254 8.347 -7.902 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -1.384 8.813 -3.713 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -1.069 10.478 -8.383 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -0.204 10.944 -4.192 1.00 70.20 H new ATOM 0 HZ PHE A 85 0.018 11.737 -6.538 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.239 5.236 -7.156 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.750 3.876 -7.340 1.00 42.44 C ATOM 1436 C ASP A 86 -4.593 2.889 -7.512 1.00 50.23 C ATOM 1437 O ASP A 86 -3.484 3.269 -7.881 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.684 3.767 -8.554 1.00 35.42 C ATOM 1439 CG ASP A 86 -8.166 3.664 -8.179 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.528 2.840 -7.309 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -8.995 4.345 -8.820 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.532 5.902 -7.871 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.322 3.631 -6.445 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.539 4.638 -9.193 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -6.404 2.892 -9.140 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.860 1.598 -7.341 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.887 0.533 -7.131 1.00 54.34 C ATOM 1448 C ALA A 87 -2.795 0.477 -8.206 1.00 42.15 C ATOM 1449 O ALA A 87 -1.637 0.176 -7.889 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.636 -0.800 -7.052 1.00 13.05 C ATOM 0 H ALA A 87 -5.818 1.247 -7.346 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.364 0.741 -6.197 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.923 -1.609 -6.895 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.342 -0.772 -6.222 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.177 -0.969 -7.983 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.136 0.758 -9.469 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.171 0.921 -10.558 1.00 71.23 C ATOM 1458 C ARG A 88 -1.198 2.062 -10.265 1.00 35.22 C ATOM 1459 O ARG A 88 0.013 1.858 -10.384 1.00 74.21 O ATOM 1460 CB ARG A 88 -2.921 1.151 -11.884 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.287 -0.161 -12.590 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.219 -0.648 -13.592 1.00 12.42 C ATOM 1463 NE ARG A 88 -2.701 -0.575 -14.983 1.00 52.53 N ATOM 1464 CZ ARG A 88 -3.661 -1.343 -15.521 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -4.152 -2.385 -14.854 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -4.138 -1.072 -16.728 1.00 13.42 N ATOM 0 H ARG A 88 -4.104 0.880 -9.766 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.580 0.009 -10.645 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.830 1.720 -11.689 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -2.302 1.756 -12.547 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.447 -0.935 -11.839 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.232 -0.028 -13.117 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -1.319 -0.042 -13.487 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -1.941 -1.675 -13.357 1.00 12.42 H new ATOM 0 HE ARG A 88 -2.267 0.120 -15.590 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -3.799 -2.607 -13.923 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -4.882 -2.961 -15.274 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -3.775 -0.276 -17.253 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -4.868 -1.659 -17.132 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.700 3.254 -9.919 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.866 4.396 -9.555 1.00 14.14 C ATOM 1482 C LYS A 89 -0.057 4.053 -8.305 1.00 2.34 C ATOM 1483 O LYS A 89 1.147 4.284 -8.254 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.698 5.664 -9.278 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.430 6.314 -10.464 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.671 5.581 -11.002 1.00 64.32 C ATOM 1487 CE LYS A 89 -3.368 4.701 -12.224 1.00 13.54 C ATOM 1488 NZ LYS A 89 -4.364 4.864 -13.305 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.700 3.450 -9.885 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.210 4.604 -10.400 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.441 5.418 -8.520 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.035 6.412 -8.843 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.731 7.319 -10.167 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.719 6.423 -11.283 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -4.091 4.961 -10.210 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.431 6.315 -11.270 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -2.378 4.947 -12.608 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -3.340 3.656 -11.916 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -4.112 4.248 -14.105 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -5.307 4.604 -12.951 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -4.375 5.855 -13.621 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.713 3.499 -7.291 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.125 3.283 -5.982 1.00 62.33 C ATOM 1504 C LEU A 90 1.123 2.406 -6.063 1.00 70.22 C ATOM 1505 O LEU A 90 2.175 2.749 -5.533 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.184 2.675 -5.048 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.448 3.564 -3.826 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.543 2.924 -2.969 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.165 3.903 -3.062 1.00 43.35 C ATOM 0 H LEU A 90 -1.681 3.185 -7.360 1.00 2.34 H new ATOM 0 HA LEU A 90 0.198 4.242 -5.576 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.113 2.530 -5.599 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.853 1.691 -4.716 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.817 4.536 -4.154 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.736 3.550 -2.098 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.456 2.828 -3.557 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.218 1.937 -2.641 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.407 4.534 -2.207 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.305 2.983 -2.713 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.522 4.434 -3.721 1.00 43.35 H new ATOM 1521 N HIS A 91 1.026 1.272 -6.753 1.00 11.24 N ATOM 1522 CA HIS A 91 2.123 0.318 -6.860 1.00 44.30 C ATOM 1523 C HIS A 91 3.319 0.892 -7.642 1.00 65.40 C ATOM 1524 O HIS A 91 4.477 0.636 -7.275 1.00 62.10 O ATOM 1525 CB HIS A 91 1.558 -0.954 -7.494 1.00 74.21 C ATOM 1526 CG HIS A 91 2.429 -2.184 -7.471 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.115 -3.354 -8.117 1.00 12.20 N ATOM 1528 CD2 HIS A 91 3.578 -2.400 -6.754 1.00 63.15 C ATOM 1529 CE1 HIS A 91 3.045 -4.264 -7.802 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.978 -3.718 -7.005 1.00 10.32 N ATOM 0 H HIS A 91 0.183 0.990 -7.253 1.00 11.24 H new ATOM 0 HA HIS A 91 2.525 0.091 -5.873 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.622 -1.194 -6.991 1.00 74.21 H new ATOM 0 HB3 HIS A 91 1.314 -0.733 -8.533 1.00 74.21 H new ATOM 0 HD2 HIS A 91 4.080 -1.688 -6.116 1.00 63.15 H new ATOM 0 HE1 HIS A 91 3.045 -5.290 -8.140 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.818 -4.176 -6.650 1.00 10.32 H new ATOM 1538 N LYS A 92 3.080 1.665 -8.721 1.00 0.33 N ATOM 1539 CA LYS A 92 4.182 2.351 -9.407 1.00 62.41 C ATOM 1540 C LYS A 92 4.833 3.341 -8.440 1.00 4.02 C ATOM 1541 O LYS A 92 6.061 3.349 -8.337 1.00 61.24 O ATOM 1542 CB LYS A 92 3.798 2.960 -10.783 1.00 22.30 C ATOM 1543 CG LYS A 92 2.761 4.094 -10.766 1.00 2.40 C ATOM 1544 CD LYS A 92 2.500 4.787 -12.111 1.00 24.33 C ATOM 1545 CE LYS A 92 1.743 6.106 -11.876 1.00 65.23 C ATOM 1546 NZ LYS A 92 1.652 6.966 -13.075 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.157 1.825 -9.124 1.00 0.33 H new ATOM 0 HA LYS A 92 4.927 1.606 -9.685 1.00 62.41 H new ATOM 0 HB2 LYS A 92 4.706 3.335 -11.255 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.417 2.159 -11.416 1.00 22.30 H new ATOM 0 HG2 LYS A 92 1.817 3.691 -10.398 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.087 4.847 -10.049 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.444 4.984 -12.619 1.00 24.33 H new ATOM 0 HD3 LYS A 92 1.918 4.133 -12.761 1.00 24.33 H new ATOM 0 HE2 LYS A 92 0.736 5.878 -11.527 1.00 65.23 H new ATOM 0 HE3 LYS A 92 2.239 6.661 -11.079 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 1.130 7.834 -12.841 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 2.609 7.214 -13.398 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 1.153 6.456 -13.831 1.00 43.32 H new ATOM 1560 N LEU A 93 4.038 4.126 -7.708 1.00 63.33 N ATOM 1561 CA LEU A 93 4.522 5.115 -6.755 1.00 20.11 C ATOM 1562 C LEU A 93 5.377 4.451 -5.683 1.00 43.43 C ATOM 1563 O LEU A 93 6.488 4.928 -5.463 1.00 62.13 O ATOM 1564 CB LEU A 93 3.361 5.902 -6.121 1.00 1.11 C ATOM 1565 CG LEU A 93 2.698 6.913 -7.075 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.347 7.348 -6.511 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.572 8.155 -7.277 1.00 24.41 C ATOM 0 H LEU A 93 3.020 4.087 -7.766 1.00 63.33 H new ATOM 0 HA LEU A 93 5.142 5.827 -7.299 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.606 5.198 -5.772 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.731 6.433 -5.244 1.00 1.11 H new ATOM 0 HG LEU A 93 2.567 6.420 -8.038 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.883 8.063 -7.190 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.700 6.477 -6.403 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.493 7.815 -5.537 1.00 23.33 H new ATOM 0 HD21 LEU A 93 3.072 8.846 -7.956 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.736 8.645 -6.317 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.531 7.860 -7.702 1.00 24.41 H new ATOM 1579 N TYR A 94 4.906 3.372 -5.044 1.00 62.42 N ATOM 1580 CA TYR A 94 5.627 2.668 -3.988 1.00 42.52 C ATOM 1581 C TYR A 94 6.955 2.130 -4.499 1.00 73.20 C ATOM 1582 O TYR A 94 7.993 2.441 -3.909 1.00 63.02 O ATOM 1583 CB TYR A 94 4.789 1.529 -3.390 1.00 5.32 C ATOM 1584 CG TYR A 94 5.588 0.599 -2.486 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.200 1.099 -1.321 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.756 -0.758 -2.821 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.953 0.249 -0.490 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.509 -1.610 -1.990 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.115 -1.110 -0.818 1.00 54.02 C ATOM 1590 OH TYR A 94 7.821 -1.919 0.021 1.00 52.45 O ATOM 0 H TYR A 94 3.997 2.961 -5.254 1.00 62.42 H new ATOM 0 HA TYR A 94 5.824 3.392 -3.197 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.963 1.956 -2.821 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.350 0.947 -4.200 1.00 5.32 H new ATOM 0 HD1 TYR A 94 6.091 2.142 -1.063 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.304 -1.148 -3.721 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.410 0.642 0.406 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.623 -2.652 -2.251 1.00 73.21 H new ATOM 0 HH TYR A 94 7.843 -2.829 -0.343 1.00 52.45 H new ATOM 1600 N LYS A 95 6.951 1.352 -5.593 1.00 41.45 N ATOM 1601 CA LYS A 95 8.207 0.767 -6.066 1.00 54.30 C ATOM 1602 C LYS A 95 9.222 1.868 -6.377 1.00 22.23 C ATOM 1603 O LYS A 95 10.375 1.774 -5.962 1.00 35.23 O ATOM 1604 CB LYS A 95 7.954 -0.184 -7.241 1.00 32.21 C ATOM 1605 CG LYS A 95 9.262 -0.788 -7.781 1.00 61.25 C ATOM 1606 CD LYS A 95 8.986 -2.044 -8.619 1.00 54.15 C ATOM 1607 CE LYS A 95 10.111 -2.356 -9.615 1.00 22.41 C ATOM 1608 NZ LYS A 95 10.141 -1.423 -10.766 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.125 1.122 -6.145 1.00 41.45 H new ATOM 0 HA LYS A 95 8.646 0.158 -5.276 1.00 54.30 H new ATOM 0 HB2 LYS A 95 7.288 -0.986 -6.922 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.445 0.354 -8.041 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.784 -0.049 -8.389 1.00 61.25 H new ATOM 0 HG3 LYS A 95 9.921 -1.039 -6.950 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.850 -2.896 -7.953 1.00 54.15 H new ATOM 0 HD3 LYS A 95 8.051 -1.913 -9.164 1.00 54.15 H new ATOM 0 HE2 LYS A 95 11.069 -2.316 -9.097 1.00 22.41 H new ATOM 0 HE3 LYS A 95 9.990 -3.375 -9.983 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 10.876 -1.723 -11.437 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 9.216 -1.428 -11.241 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 10.352 -0.462 -10.429 1.00 12.11 H new ATOM 1622 N HIS A 96 8.793 2.952 -7.032 1.00 2.14 N ATOM 1623 CA HIS A 96 9.677 4.089 -7.249 1.00 2.00 C ATOM 1624 C HIS A 96 10.075 4.766 -5.927 1.00 64.43 C ATOM 1625 O HIS A 96 11.206 5.227 -5.815 1.00 42.32 O ATOM 1626 CB HIS A 96 9.053 5.075 -8.244 1.00 24.51 C ATOM 1627 CG HIS A 96 9.040 4.551 -9.662 1.00 14.41 C ATOM 1628 ND1 HIS A 96 8.038 3.795 -10.222 1.00 42.35 N ATOM 1629 CD2 HIS A 96 9.996 4.746 -10.622 1.00 62.44 C ATOM 1630 CE1 HIS A 96 8.366 3.540 -11.498 1.00 43.34 C ATOM 1631 NE2 HIS A 96 9.553 4.102 -11.787 1.00 62.31 N ATOM 0 H HIS A 96 7.853 3.061 -7.414 1.00 2.14 H new ATOM 0 HA HIS A 96 10.602 3.718 -7.690 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.032 5.298 -7.935 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.607 6.013 -8.214 1.00 24.51 H new ATOM 0 HD1 HIS A 96 7.190 3.482 -9.749 1.00 42.35 H new ATOM 0 HD2 HIS A 96 10.919 5.294 -10.505 1.00 62.44 H new ATOM 0 HE1 HIS A 96 7.766 2.968 -12.190 1.00 43.34 H new ATOM 1639 N ALA A 97 9.219 4.824 -4.904 1.00 74.32 N ATOM 1640 CA ALA A 97 9.525 5.494 -3.644 1.00 62.11 C ATOM 1641 C ALA A 97 10.658 4.800 -2.893 1.00 21.45 C ATOM 1642 O ALA A 97 11.551 5.489 -2.397 1.00 62.01 O ATOM 1643 CB ALA A 97 8.277 5.604 -2.759 1.00 12.11 C ATOM 0 H ALA A 97 8.290 4.404 -4.930 1.00 74.32 H new ATOM 0 HA ALA A 97 9.861 6.501 -3.890 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.535 6.107 -1.827 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.510 6.177 -3.281 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.898 4.606 -2.539 1.00 12.11 H new ATOM 1649 N ILE A 98 10.631 3.470 -2.803 1.00 4.01 N ATOM 1650 CA ILE A 98 11.710 2.727 -2.164 1.00 65.43 C ATOM 1651 C ILE A 98 12.970 2.813 -3.046 1.00 70.52 C ATOM 1652 O ILE A 98 14.033 3.224 -2.575 1.00 31.14 O ATOM 1653 CB ILE A 98 11.205 1.316 -1.774 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.157 0.640 -0.771 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.887 0.391 -2.962 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.429 -0.424 0.064 1.00 25.45 C ATOM 0 H ILE A 98 9.874 2.889 -3.164 1.00 4.01 H new ATOM 0 HA ILE A 98 12.021 3.160 -1.213 1.00 65.43 H new ATOM 0 HB ILE A 98 10.243 1.484 -1.289 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.986 0.179 -1.308 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.586 1.393 -0.110 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.541 -0.573 -2.590 1.00 12.03 H new ATOM 0 HG22 ILE A 98 10.109 0.843 -3.577 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.786 0.247 -3.562 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.130 -0.881 0.762 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.616 0.043 0.620 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.023 -1.190 -0.597 1.00 25.45 H new ATOM 1668 N LYS A 99 12.840 2.573 -4.361 1.00 65.44 N ATOM 1669 CA LYS A 99 13.955 2.676 -5.312 1.00 2.32 C ATOM 1670 C LYS A 99 14.590 4.068 -5.377 1.00 44.52 C ATOM 1671 O LYS A 99 15.751 4.160 -5.773 1.00 12.43 O ATOM 1672 CB LYS A 99 13.499 2.243 -6.717 1.00 70.12 C ATOM 1673 CG LYS A 99 13.317 0.723 -6.881 1.00 70.31 C ATOM 1674 CD LYS A 99 14.654 -0.030 -6.797 1.00 52.12 C ATOM 1675 CE LYS A 99 14.495 -1.488 -7.232 1.00 11.33 C ATOM 1676 NZ LYS A 99 15.795 -2.183 -7.354 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.957 2.302 -4.794 1.00 65.44 H new ATOM 0 HA LYS A 99 14.728 2.003 -4.941 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.556 2.738 -6.949 1.00 70.12 H new ATOM 0 HB3 LYS A 99 14.230 2.591 -7.447 1.00 70.12 H new ATOM 0 HG2 LYS A 99 12.644 0.353 -6.108 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.844 0.516 -7.841 1.00 70.31 H new ATOM 0 HD2 LYS A 99 15.392 0.463 -7.430 1.00 52.12 H new ATOM 0 HD3 LYS A 99 15.033 0.008 -5.776 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.871 -2.014 -6.510 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.975 -1.524 -8.189 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.636 -3.167 -7.651 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 16.383 -1.698 -8.062 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 16.282 -2.173 -6.435 1.00 60.11 H new ATOM 1690 N LYS A 100 13.882 5.136 -4.984 1.00 42.13 N ATOM 1691 CA LYS A 100 14.419 6.499 -4.936 1.00 4.50 C ATOM 1692 C LYS A 100 15.599 6.549 -3.979 1.00 64.53 C ATOM 1693 O LYS A 100 16.600 7.181 -4.299 1.00 65.31 O ATOM 1694 CB LYS A 100 13.321 7.511 -4.535 1.00 23.44 C ATOM 1695 CG LYS A 100 13.691 8.997 -4.741 1.00 42.32 C ATOM 1696 CD LYS A 100 14.464 9.705 -3.610 1.00 74.15 C ATOM 1697 CE LYS A 100 13.615 9.836 -2.345 1.00 14.21 C ATOM 1698 NZ LYS A 100 14.243 10.700 -1.326 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.908 5.075 -4.687 1.00 42.13 H new ATOM 0 HA LYS A 100 14.767 6.780 -5.930 1.00 4.50 H new ATOM 0 HB2 LYS A 100 12.421 7.294 -5.110 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.073 7.357 -3.485 1.00 23.44 H new ATOM 0 HG2 LYS A 100 14.285 9.072 -5.652 1.00 42.32 H new ATOM 0 HG3 LYS A 100 12.769 9.551 -4.916 1.00 42.32 H new ATOM 0 HD2 LYS A 100 15.372 9.146 -3.383 1.00 74.15 H new ATOM 0 HD3 LYS A 100 14.774 10.695 -3.945 1.00 74.15 H new ATOM 0 HE2 LYS A 100 12.638 10.242 -2.608 1.00 14.21 H new ATOM 0 HE3 LYS A 100 13.445 8.846 -1.922 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 13.627 10.755 -0.490 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 15.164 10.301 -1.052 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 14.382 11.654 -1.717 1.00 55.41 H new ATOM 1712 N ARG A 101 15.472 5.939 -2.797 1.00 13.00 N ATOM 1713 CA ARG A 101 16.531 5.957 -1.793 1.00 21.24 C ATOM 1714 C ARG A 101 17.730 5.152 -2.291 1.00 32.44 C ATOM 1715 O ARG A 101 18.866 5.542 -2.045 1.00 41.23 O ATOM 1716 CB ARG A 101 15.996 5.421 -0.451 1.00 43.10 C ATOM 1717 CG ARG A 101 14.846 6.257 0.157 1.00 13.42 C ATOM 1718 CD ARG A 101 15.292 7.628 0.683 1.00 31.55 C ATOM 1719 NE ARG A 101 16.168 7.482 1.845 1.00 14.22 N ATOM 1720 CZ ARG A 101 16.615 8.411 2.690 1.00 32.10 C ATOM 1721 NH1 ARG A 101 16.340 9.707 2.557 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 17.359 8.001 3.703 1.00 74.22 N ATOM 0 H ARG A 101 14.638 5.424 -2.514 1.00 13.00 H new ATOM 0 HA ARG A 101 16.864 6.982 -1.628 1.00 21.24 H new ATOM 0 HB2 ARG A 101 15.649 4.398 -0.595 1.00 43.10 H new ATOM 0 HB3 ARG A 101 16.818 5.381 0.264 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.074 6.401 -0.599 1.00 13.42 H new ATOM 0 HG3 ARG A 101 14.392 5.695 0.973 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.814 8.172 -0.105 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.418 8.220 0.954 1.00 31.55 H new ATOM 0 HE ARG A 101 16.483 6.531 2.037 1.00 14.22 H new ATOM 0 HH11 ARG A 101 15.762 10.029 1.780 1.00 32.33 H new ATOM 0 HH12 ARG A 101 16.707 10.378 3.232 1.00 32.33 H new ATOM 0 HH21 ARG A 101 17.569 7.009 3.813 1.00 74.22 H new ATOM 0 HH22 ARG A 101 17.723 8.677 4.375 1.00 74.22 H new