USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -96:sc= 1.28 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.955 USER MOD Set 2.1: A 57 ASN : amide:sc= -1.21 K(o=-1.6,f=-13!) USER MOD Set 2.2: A 60 MET CE :methyl 147:sc= -0.441 (180deg=-2.71!) USER MOD Single : A 21 SER OG : rot 137:sc= 0.844 USER MOD Single : A 25 ASN : amide:sc= -1.17 K(o=-1.2,f=-9.7!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -118:sc= -1.01 (180deg=-1.88) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 55 LYS NZ :NH3+ -112:sc=-0.00213 (180deg=-0.0468) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -72:sc= 0.617 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 100:sc= 0.166 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.946 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.16) USER MOD Single : A 94 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.76) USER MOD Single : A 97 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.033 -10.149 -0.616 1.00 0.00 N ATOM 106 CA LEU A 11 25.498 -11.086 -1.633 1.00 0.00 C ATOM 107 C LEU A 11 24.770 -12.421 -1.518 1.00 0.00 C ATOM 108 O LEU A 11 24.195 -12.911 -2.490 1.00 0.00 O ATOM 109 CB LEU A 11 27.007 -11.302 -1.503 1.00 0.00 C ATOM 110 CG LEU A 11 27.669 -12.102 -2.626 1.00 0.00 C ATOM 111 CD1 LEU A 11 29.177 -11.907 -2.602 1.00 0.00 C ATOM 112 CD2 LEU A 11 27.318 -13.577 -2.509 1.00 0.00 C ATOM 0 HA LEU A 11 25.281 -10.659 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.490 -10.327 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.201 -11.810 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 11 27.291 -11.734 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.631 -12.484 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 11 29.409 -10.851 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.573 -12.247 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 11 27.798 -14.130 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.667 -13.959 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.237 -13.700 -2.577 1.00 0.00 H new ATOM 124 N TRP A 12 24.795 -13.001 -0.324 1.00 0.00 N ATOM 125 CA TRP A 12 24.135 -14.279 -0.081 1.00 0.00 C ATOM 126 C TRP A 12 22.792 -14.343 -0.800 1.00 0.00 C ATOM 127 O TRP A 12 22.361 -15.411 -1.233 1.00 0.00 O ATOM 128 CB TRP A 12 23.934 -14.496 1.420 1.00 0.00 C ATOM 129 CG TRP A 12 22.790 -13.711 1.986 1.00 0.00 C ATOM 130 CD1 TRP A 12 22.856 -12.497 2.607 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.408 -14.088 1.983 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.599 -12.096 2.991 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.694 -13.054 2.619 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.705 -15.196 1.504 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.312 -13.099 2.788 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.335 -15.240 1.673 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.650 -14.196 2.310 1.00 0.00 C ATOM 0 H TRP A 12 25.265 -12.607 0.491 1.00 0.00 H new ATOM 0 HA TRP A 12 24.775 -15.070 -0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.765 -15.556 1.607 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.849 -14.221 1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.763 -11.934 2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.376 -11.226 3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.224 -16.004 1.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 18.782 -12.296 3.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.782 -16.093 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.578 -14.259 2.426 1.00 0.00 H new ATOM 148 N GLU A 13 22.137 -13.193 -0.925 1.00 0.00 N ATOM 149 CA GLU A 13 20.842 -13.121 -1.592 1.00 0.00 C ATOM 150 C GLU A 13 21.014 -13.045 -3.106 1.00 0.00 C ATOM 151 O GLU A 13 20.235 -13.627 -3.861 1.00 0.00 O ATOM 152 CB GLU A 13 20.054 -11.907 -1.095 1.00 0.00 C ATOM 153 CG GLU A 13 19.045 -12.239 -0.009 1.00 0.00 C ATOM 154 CD GLU A 13 17.629 -11.855 -0.391 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.467 -10.969 -1.256 1.00 0.00 O ATOM 156 OE2 GLU A 13 16.682 -12.440 0.175 1.00 0.00 O ATOM 0 H GLU A 13 22.481 -12.299 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 13 20.287 -14.028 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 13 20.753 -11.162 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.532 -11.453 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.083 -13.308 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.322 -11.722 0.910 1.00 0.00 H new ATOM 163 N PHE A 14 22.040 -12.322 -3.544 1.00 0.00 N ATOM 164 CA PHE A 14 22.314 -12.167 -4.967 1.00 0.00 C ATOM 165 C PHE A 14 22.500 -13.526 -5.636 1.00 0.00 C ATOM 166 O PHE A 14 21.751 -13.891 -6.543 1.00 0.00 O ATOM 167 CB PHE A 14 23.562 -11.308 -5.177 1.00 0.00 C ATOM 168 CG PHE A 14 24.277 -11.594 -6.467 1.00 0.00 C ATOM 169 CD1 PHE A 14 23.937 -10.918 -7.628 1.00 0.00 C ATOM 170 CD2 PHE A 14 25.289 -12.539 -6.519 1.00 0.00 C ATOM 171 CE1 PHE A 14 24.593 -11.180 -8.816 1.00 0.00 C ATOM 172 CE2 PHE A 14 25.949 -12.805 -7.704 1.00 0.00 C ATOM 173 CZ PHE A 14 25.600 -12.123 -8.854 1.00 0.00 C ATOM 0 H PHE A 14 22.695 -11.834 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 14 21.458 -11.670 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.277 -10.256 -5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.249 -11.470 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 14 23.151 -10.178 -7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 14 25.566 -13.074 -5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 14 24.318 -10.647 -9.714 1.00 0.00 H new ATOM 0 HE2 PHE A 14 26.736 -13.544 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.115 -12.328 -9.781 1.00 0.00 H new ATOM 183 N VAL A 15 23.503 -14.270 -5.182 1.00 0.00 N ATOM 184 CA VAL A 15 23.788 -15.589 -5.736 1.00 0.00 C ATOM 185 C VAL A 15 22.605 -16.531 -5.547 1.00 0.00 C ATOM 186 O VAL A 15 22.278 -17.319 -6.434 1.00 0.00 O ATOM 187 CB VAL A 15 25.036 -16.213 -5.084 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.926 -16.168 -3.568 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.234 -17.640 -5.571 1.00 0.00 C ATOM 0 H VAL A 15 24.132 -13.982 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 15 23.973 -15.452 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 15 25.908 -15.629 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.817 -16.613 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.837 -15.132 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.045 -16.726 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.120 -18.065 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.361 -18.238 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.363 -17.641 -6.653 1.00 0.00 H new ATOM 199 N ARG A 16 21.966 -16.444 -4.385 1.00 0.00 N ATOM 200 CA ARG A 16 20.818 -17.290 -4.078 1.00 0.00 C ATOM 201 C ARG A 16 19.709 -17.095 -5.108 1.00 0.00 C ATOM 202 O ARG A 16 19.077 -18.057 -5.544 1.00 0.00 O ATOM 203 CB ARG A 16 20.289 -16.980 -2.677 1.00 0.00 C ATOM 204 CG ARG A 16 19.021 -17.739 -2.324 1.00 0.00 C ATOM 205 CD ARG A 16 17.898 -16.794 -1.927 1.00 0.00 C ATOM 206 NE ARG A 16 17.672 -15.759 -2.932 1.00 0.00 N ATOM 207 CZ ARG A 16 16.719 -14.839 -2.839 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.908 -14.824 -1.790 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.577 -13.930 -3.795 1.00 0.00 N ATOM 0 H ARG A 16 22.224 -15.796 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 16 21.144 -18.329 -4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.061 -17.218 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.096 -15.910 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.707 -18.341 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.225 -18.428 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.980 -17.363 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.139 -16.326 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 16 18.280 -15.742 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.015 -15.520 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.177 -14.116 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.200 -13.937 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.845 -13.224 -3.723 1.00 0.00 H new ATOM 223 N ASP A 17 19.478 -15.844 -5.490 1.00 0.00 N ATOM 224 CA ASP A 17 18.445 -15.522 -6.469 1.00 0.00 C ATOM 225 C ASP A 17 18.627 -16.343 -7.741 1.00 0.00 C ATOM 226 O ASP A 17 17.691 -16.988 -8.215 1.00 0.00 O ATOM 227 CB ASP A 17 18.476 -14.029 -6.801 1.00 0.00 C ATOM 228 CG ASP A 17 17.167 -13.541 -7.391 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.939 -13.768 -8.598 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.372 -12.930 -6.647 1.00 0.00 O ATOM 0 H ASP A 17 19.991 -15.036 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 17 17.477 -15.770 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.697 -13.463 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.284 -13.833 -7.505 1.00 0.00 H new ATOM 235 N LEU A 18 19.836 -16.314 -8.290 1.00 0.00 N ATOM 236 CA LEU A 18 20.141 -17.056 -9.509 1.00 0.00 C ATOM 237 C LEU A 18 19.574 -18.470 -9.442 1.00 0.00 C ATOM 238 O LEU A 18 19.016 -18.973 -10.419 1.00 0.00 O ATOM 239 CB LEU A 18 21.654 -17.111 -9.731 1.00 0.00 C ATOM 240 CG LEU A 18 22.239 -16.028 -10.638 1.00 0.00 C ATOM 241 CD1 LEU A 18 22.125 -14.661 -9.981 1.00 0.00 C ATOM 242 CD2 LEU A 18 23.690 -16.341 -10.974 1.00 0.00 C ATOM 0 H LEU A 18 20.621 -15.785 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 18 19.675 -16.537 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.146 -17.049 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.904 -18.084 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 18 21.667 -16.010 -11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.547 -13.903 -10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.076 -14.434 -9.792 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.671 -14.664 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 24.090 -15.560 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 24.275 -16.387 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.746 -17.301 -11.488 1.00 0.00 H new ATOM 254 N LEU A 19 19.718 -19.106 -8.285 1.00 0.00 N ATOM 255 CA LEU A 19 19.217 -20.462 -8.090 1.00 0.00 C ATOM 256 C LEU A 19 17.702 -20.513 -8.259 1.00 0.00 C ATOM 257 O LEU A 19 17.163 -21.458 -8.836 1.00 0.00 O ATOM 258 CB LEU A 19 19.604 -20.974 -6.701 1.00 0.00 C ATOM 259 CG LEU A 19 21.064 -21.394 -6.524 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.383 -21.605 -5.052 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.357 -22.656 -7.321 1.00 0.00 C ATOM 0 H LEU A 19 20.178 -18.705 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 19 19.670 -21.103 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.380 -20.194 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.970 -21.827 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 19 21.701 -20.594 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.426 -21.903 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.213 -20.677 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.739 -22.386 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.400 -22.940 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.712 -23.463 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.168 -22.471 -8.378 1.00 0.00 H new ATOM 273 N LEU A 20 17.021 -19.490 -7.755 1.00 0.00 N ATOM 274 CA LEU A 20 15.567 -19.416 -7.852 1.00 0.00 C ATOM 275 C LEU A 20 15.143 -18.654 -9.104 1.00 0.00 C ATOM 276 O LEU A 20 13.958 -18.587 -9.430 1.00 0.00 O ATOM 277 CB LEU A 20 14.987 -18.741 -6.609 1.00 0.00 C ATOM 278 CG LEU A 20 15.682 -19.061 -5.285 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.963 -18.385 -4.128 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.748 -20.566 -5.068 1.00 0.00 C ATOM 0 H LEU A 20 17.452 -18.700 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 20 15.180 -20.433 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.015 -17.662 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.938 -19.023 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 20 16.700 -18.675 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.472 -18.624 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.968 -17.305 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.934 -18.740 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.246 -20.776 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.738 -20.975 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.308 -21.027 -5.882 1.00 0.00 H new ATOM 292 N SER A 21 16.119 -18.083 -9.802 1.00 0.00 N ATOM 293 CA SER A 21 15.847 -17.324 -11.017 1.00 0.00 C ATOM 294 C SER A 21 16.596 -17.917 -12.207 1.00 0.00 C ATOM 295 O SER A 21 17.670 -17.454 -12.590 1.00 0.00 O ATOM 296 CB SER A 21 16.244 -15.859 -10.829 1.00 0.00 C ATOM 297 OG SER A 21 15.172 -15.105 -10.290 1.00 0.00 O ATOM 0 H SER A 21 17.105 -18.131 -9.547 1.00 0.00 H new ATOM 0 HA SER A 21 14.777 -17.380 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.107 -15.795 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.546 -15.435 -11.787 1.00 0.00 H new ATOM 0 HG SER A 21 15.512 -14.504 -9.595 1.00 0.00 H new ATOM 303 N PRO A 22 16.016 -18.967 -12.806 1.00 0.00 N ATOM 304 CA PRO A 22 16.609 -19.647 -13.962 1.00 0.00 C ATOM 305 C PRO A 22 16.577 -18.786 -15.220 1.00 0.00 C ATOM 306 O PRO A 22 17.183 -19.131 -16.234 1.00 0.00 O ATOM 307 CB PRO A 22 15.726 -20.884 -14.138 1.00 0.00 C ATOM 308 CG PRO A 22 14.416 -20.503 -13.540 1.00 0.00 C ATOM 309 CD PRO A 22 14.735 -19.572 -12.403 1.00 0.00 C ATOM 0 HA PRO A 22 17.662 -19.878 -13.803 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.619 -21.147 -15.190 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.154 -21.751 -13.634 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.778 -20.015 -14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.878 -21.382 -13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.959 -18.818 -12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.823 -20.108 -11.458 1.00 0.00 H new ATOM 317 N GLU A 23 15.867 -17.665 -15.147 1.00 0.00 N ATOM 318 CA GLU A 23 15.756 -16.755 -16.281 1.00 0.00 C ATOM 319 C GLU A 23 16.980 -15.848 -16.372 1.00 0.00 C ATOM 320 O GLU A 23 17.332 -15.372 -17.451 1.00 0.00 O ATOM 321 CB GLU A 23 14.487 -15.909 -16.163 1.00 0.00 C ATOM 322 CG GLU A 23 13.213 -16.676 -16.471 1.00 0.00 C ATOM 323 CD GLU A 23 12.007 -15.769 -16.621 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.992 -14.692 -15.991 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.078 -16.137 -17.371 1.00 0.00 O ATOM 0 H GLU A 23 15.360 -17.365 -14.314 1.00 0.00 H new ATOM 0 HA GLU A 23 15.700 -17.353 -17.190 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.423 -15.505 -15.153 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.563 -15.059 -16.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.350 -17.247 -17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.025 -17.395 -15.674 1.00 0.00 H new ATOM 332 N GLU A 24 17.621 -15.613 -15.232 1.00 0.00 N ATOM 333 CA GLU A 24 18.804 -14.762 -15.183 1.00 0.00 C ATOM 334 C GLU A 24 20.076 -15.601 -15.101 1.00 0.00 C ATOM 335 O GLU A 24 21.052 -15.337 -15.802 1.00 0.00 O ATOM 336 CB GLU A 24 18.728 -13.813 -13.985 1.00 0.00 C ATOM 337 CG GLU A 24 18.250 -12.417 -14.344 1.00 0.00 C ATOM 338 CD GLU A 24 19.326 -11.365 -14.155 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.128 -11.499 -13.207 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.365 -10.407 -14.956 1.00 0.00 O ATOM 0 H GLU A 24 17.341 -16.000 -14.330 1.00 0.00 H new ATOM 0 HA GLU A 24 18.835 -14.175 -16.101 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.056 -14.237 -13.238 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.713 -13.743 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.916 -12.407 -15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.387 -12.163 -13.729 1.00 0.00 H new ATOM 347 N ASN A 25 20.055 -16.613 -14.241 1.00 0.00 N ATOM 348 CA ASN A 25 21.207 -17.491 -14.065 1.00 0.00 C ATOM 349 C ASN A 25 21.469 -18.303 -15.331 1.00 0.00 C ATOM 350 O ASN A 25 20.588 -19.009 -15.821 1.00 0.00 O ATOM 351 CB ASN A 25 20.981 -18.432 -12.880 1.00 0.00 C ATOM 352 CG ASN A 25 22.137 -19.393 -12.676 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.257 -19.137 -13.120 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.870 -20.505 -12.003 1.00 0.00 N ATOM 0 H ASN A 25 19.254 -16.846 -13.655 1.00 0.00 H new ATOM 0 HA ASN A 25 22.080 -16.869 -13.865 1.00 0.00 H new ATOM 0 HB2 ASN A 25 20.837 -17.843 -11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.064 -18.999 -13.040 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.608 -21.189 -11.835 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.927 -20.676 -11.653 1.00 0.00 H new ATOM 361 N CYS A 26 22.686 -18.197 -15.852 1.00 0.00 N ATOM 362 CA CYS A 26 23.066 -18.921 -17.061 1.00 0.00 C ATOM 363 C CYS A 26 24.158 -19.942 -16.762 1.00 0.00 C ATOM 364 O CYS A 26 25.346 -19.655 -16.901 1.00 0.00 O ATOM 365 CB CYS A 26 23.544 -17.944 -18.136 1.00 0.00 C ATOM 366 SG CYS A 26 23.524 -18.624 -19.812 1.00 0.00 S ATOM 0 H CYS A 26 23.427 -17.617 -15.457 1.00 0.00 H new ATOM 0 HA CYS A 26 22.188 -19.452 -17.428 1.00 0.00 H new ATOM 0 HB2 CYS A 26 22.915 -17.054 -18.109 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.558 -17.625 -17.897 1.00 0.00 H new ATOM 0 HG CYS A 26 23.943 -17.723 -20.651 1.00 0.00 H new ATOM 372 N GLY A 27 23.747 -21.137 -16.348 1.00 0.00 N ATOM 373 CA GLY A 27 24.703 -22.183 -16.035 1.00 0.00 C ATOM 374 C GLY A 27 25.802 -21.705 -15.107 1.00 0.00 C ATOM 375 O GLY A 27 26.929 -22.197 -15.163 1.00 0.00 O ATOM 0 H GLY A 27 22.769 -21.399 -16.224 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.181 -23.022 -15.574 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.147 -22.553 -16.959 1.00 0.00 H new ATOM 379 N ILE A 28 25.475 -20.741 -14.252 1.00 0.00 N ATOM 380 CA ILE A 28 26.443 -20.196 -13.309 1.00 0.00 C ATOM 381 C ILE A 28 26.470 -21.008 -12.018 1.00 0.00 C ATOM 382 O ILE A 28 27.503 -21.106 -11.355 1.00 0.00 O ATOM 383 CB ILE A 28 26.134 -18.726 -12.971 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.830 -17.940 -14.248 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.299 -18.098 -12.221 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.348 -16.529 -13.989 1.00 0.00 C ATOM 0 H ILE A 28 24.547 -20.322 -14.193 1.00 0.00 H new ATOM 0 HA ILE A 28 27.419 -20.252 -13.791 1.00 0.00 H new ATOM 0 HB ILE A 28 25.254 -18.694 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.729 -17.901 -14.864 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.073 -18.474 -14.822 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.065 -17.059 -11.989 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.473 -18.646 -11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.195 -18.139 -12.841 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.152 -16.031 -14.939 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.432 -16.560 -13.400 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.113 -15.978 -13.442 1.00 0.00 H new ATOM 398 N LEU A 29 25.328 -21.589 -11.667 1.00 0.00 N ATOM 399 CA LEU A 29 25.220 -22.395 -10.456 1.00 0.00 C ATOM 400 C LEU A 29 24.413 -23.663 -10.716 1.00 0.00 C ATOM 401 O LEU A 29 23.835 -23.832 -11.788 1.00 0.00 O ATOM 402 CB LEU A 29 24.569 -21.582 -9.336 1.00 0.00 C ATOM 403 CG LEU A 29 25.130 -20.178 -9.112 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.005 -19.190 -8.845 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.126 -20.178 -7.961 1.00 0.00 C ATOM 0 H LEU A 29 24.464 -21.517 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 29 26.225 -22.684 -10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.504 -21.496 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.664 -22.142 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 29 25.652 -19.868 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.423 -18.196 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.329 -19.168 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.455 -19.497 -7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.515 -19.170 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.629 -20.509 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.949 -20.855 -8.192 1.00 0.00 H new ATOM 417 N GLU A 30 24.378 -24.549 -9.725 1.00 0.00 N ATOM 418 CA GLU A 30 23.640 -25.801 -9.847 1.00 0.00 C ATOM 419 C GLU A 30 23.044 -26.214 -8.505 1.00 0.00 C ATOM 420 O GLU A 30 23.638 -25.981 -7.452 1.00 0.00 O ATOM 421 CB GLU A 30 24.555 -26.909 -10.374 1.00 0.00 C ATOM 422 CG GLU A 30 24.450 -27.123 -11.874 1.00 0.00 C ATOM 423 CD GLU A 30 24.625 -28.577 -12.269 1.00 0.00 C ATOM 424 OE1 GLU A 30 25.182 -29.348 -11.460 1.00 0.00 O ATOM 425 OE2 GLU A 30 24.205 -28.943 -13.387 1.00 0.00 O ATOM 0 H GLU A 30 24.851 -24.423 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 30 22.825 -25.645 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.587 -26.667 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.313 -27.842 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.479 -26.771 -12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.206 -26.520 -12.377 1.00 0.00 H new ATOM 432 N TRP A 31 21.866 -26.827 -8.551 1.00 0.00 N ATOM 433 CA TRP A 31 21.188 -27.272 -7.338 1.00 0.00 C ATOM 434 C TRP A 31 21.598 -28.695 -6.977 1.00 0.00 C ATOM 435 O TRP A 31 21.106 -29.659 -7.561 1.00 0.00 O ATOM 436 CB TRP A 31 19.672 -27.195 -7.520 1.00 0.00 C ATOM 437 CG TRP A 31 19.079 -25.909 -7.031 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.298 -25.043 -7.743 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.220 -25.342 -5.724 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.946 -23.972 -6.956 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.499 -24.133 -5.713 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.885 -25.740 -4.560 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.425 -23.320 -4.585 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.811 -24.932 -3.442 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.085 -23.734 -3.460 1.00 0.00 C ATOM 0 H TRP A 31 21.361 -27.027 -9.414 1.00 0.00 H new ATOM 0 HA TRP A 31 21.483 -26.611 -6.523 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.434 -27.318 -8.576 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.207 -28.026 -6.989 1.00 0.00 H new ATOM 0 HD1 TRP A 31 18.001 -25.180 -8.772 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.367 -23.185 -7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.446 -26.662 -4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.867 -22.396 -4.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.322 -25.229 -2.538 1.00 0.00 H new ATOM 0 HH2 TRP A 31 19.045 -23.125 -2.569 1.00 0.00 H new ATOM 456 N GLU A 32 22.502 -28.818 -6.010 1.00 0.00 N ATOM 457 CA GLU A 32 22.978 -30.125 -5.572 1.00 0.00 C ATOM 458 C GLU A 32 22.000 -30.758 -4.586 1.00 0.00 C ATOM 459 O GLU A 32 21.954 -31.979 -4.437 1.00 0.00 O ATOM 460 CB GLU A 32 24.360 -30.000 -4.927 1.00 0.00 C ATOM 461 CG GLU A 32 25.486 -29.821 -5.931 1.00 0.00 C ATOM 462 CD GLU A 32 25.470 -30.877 -7.020 1.00 0.00 C ATOM 463 OE1 GLU A 32 24.903 -31.964 -6.784 1.00 0.00 O ATOM 464 OE2 GLU A 32 26.024 -30.614 -8.108 1.00 0.00 O ATOM 0 H GLU A 32 22.919 -28.029 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 32 23.051 -30.769 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.357 -29.152 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.555 -30.891 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.408 -28.834 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.442 -29.857 -5.409 1.00 0.00 H new ATOM 471 N ASP A 33 21.220 -29.918 -3.915 1.00 0.00 N ATOM 472 CA ASP A 33 20.242 -30.393 -2.943 1.00 0.00 C ATOM 473 C ASP A 33 19.262 -29.285 -2.571 1.00 0.00 C ATOM 474 O ASP A 33 19.602 -28.367 -1.824 1.00 0.00 O ATOM 475 CB ASP A 33 20.948 -30.910 -1.688 1.00 0.00 C ATOM 476 CG ASP A 33 21.029 -32.423 -1.651 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.966 -33.076 -1.711 1.00 0.00 O ATOM 478 OD2 ASP A 33 22.155 -32.954 -1.562 1.00 0.00 O ATOM 0 H ASP A 33 21.246 -28.904 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 33 19.682 -31.210 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.955 -30.494 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.417 -30.556 -0.804 1.00 0.00 H new ATOM 483 N ARG A 34 18.045 -29.376 -3.097 1.00 0.00 N ATOM 484 CA ARG A 34 17.017 -28.380 -2.822 1.00 0.00 C ATOM 485 C ARG A 34 16.556 -28.461 -1.370 1.00 0.00 C ATOM 486 O ARG A 34 16.206 -27.450 -0.763 1.00 0.00 O ATOM 487 CB ARG A 34 15.824 -28.576 -3.759 1.00 0.00 C ATOM 488 CG ARG A 34 16.164 -28.384 -5.228 1.00 0.00 C ATOM 489 CD ARG A 34 16.380 -26.916 -5.562 1.00 0.00 C ATOM 490 NE ARG A 34 15.205 -26.106 -5.253 1.00 0.00 N ATOM 491 CZ ARG A 34 14.145 -26.013 -6.049 1.00 0.00 C ATOM 492 NH1 ARG A 34 14.114 -26.677 -7.196 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.114 -25.255 -5.698 1.00 0.00 N ATOM 0 H ARG A 34 17.747 -30.130 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 34 17.447 -27.393 -2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.422 -29.579 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.037 -27.875 -3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.063 -28.950 -5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.359 -28.784 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.237 -26.539 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.621 -26.817 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 34 15.197 -25.583 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.905 -27.261 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.299 -26.604 -7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.134 -24.743 -4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.301 -25.185 -6.310 1.00 0.00 H new ATOM 507 N GLU A 35 16.559 -29.671 -0.820 1.00 0.00 N ATOM 508 CA GLU A 35 16.139 -29.884 0.560 1.00 0.00 C ATOM 509 C GLU A 35 17.148 -29.282 1.534 1.00 0.00 C ATOM 510 O GLU A 35 16.782 -28.528 2.435 1.00 0.00 O ATOM 511 CB GLU A 35 15.972 -31.378 0.842 1.00 0.00 C ATOM 512 CG GLU A 35 14.603 -31.919 0.464 1.00 0.00 C ATOM 513 CD GLU A 35 13.515 -31.473 1.421 1.00 0.00 C ATOM 514 OE1 GLU A 35 13.701 -30.435 2.089 1.00 0.00 O ATOM 515 OE2 GLU A 35 12.477 -32.164 1.502 1.00 0.00 O ATOM 0 H GLU A 35 16.848 -30.519 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 35 15.180 -29.386 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.736 -31.930 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.146 -31.561 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.352 -31.590 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.640 -33.008 0.444 1.00 0.00 H new ATOM 522 N GLN A 36 18.419 -29.621 1.345 1.00 0.00 N ATOM 523 CA GLN A 36 19.481 -29.115 2.208 1.00 0.00 C ATOM 524 C GLN A 36 19.848 -27.683 1.836 1.00 0.00 C ATOM 525 O GLN A 36 20.284 -26.903 2.682 1.00 0.00 O ATOM 526 CB GLN A 36 20.716 -30.013 2.112 1.00 0.00 C ATOM 527 CG GLN A 36 20.397 -31.497 2.188 1.00 0.00 C ATOM 528 CD GLN A 36 21.393 -32.265 3.033 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.299 -32.914 2.510 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.231 -32.196 4.350 1.00 0.00 N ATOM 0 H GLN A 36 18.739 -30.243 0.603 1.00 0.00 H new ATOM 0 HA GLN A 36 19.115 -29.121 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.232 -29.808 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.405 -29.756 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.397 -31.629 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.383 -31.914 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.466 -31.646 4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.871 -32.693 4.969 1.00 0.00 H new ATOM 539 N GLY A 37 19.669 -27.343 0.563 1.00 0.00 N ATOM 540 CA GLY A 37 19.988 -26.004 0.101 1.00 0.00 C ATOM 541 C GLY A 37 21.407 -25.893 -0.421 1.00 0.00 C ATOM 542 O GLY A 37 21.975 -24.802 -0.465 1.00 0.00 O ATOM 0 H GLY A 37 19.309 -27.970 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.291 -25.719 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.849 -25.298 0.920 1.00 0.00 H new ATOM 546 N ILE A 38 21.981 -27.025 -0.814 1.00 0.00 N ATOM 547 CA ILE A 38 23.343 -27.049 -1.334 1.00 0.00 C ATOM 548 C ILE A 38 23.371 -26.693 -2.817 1.00 0.00 C ATOM 549 O ILE A 38 22.535 -27.155 -3.594 1.00 0.00 O ATOM 550 CB ILE A 38 23.996 -28.430 -1.137 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.974 -28.822 0.342 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.422 -28.422 -1.667 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.985 -30.317 0.571 1.00 0.00 C ATOM 0 H ILE A 38 21.525 -27.937 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 38 23.909 -26.305 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 38 23.425 -29.169 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.837 -28.380 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.085 -28.398 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.870 -29.405 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.414 -28.182 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 38 26.005 -27.674 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.968 -30.521 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.108 -30.763 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.887 -30.745 0.134 1.00 0.00 H new ATOM 565 N PHE A 39 24.341 -25.871 -3.203 1.00 0.00 N ATOM 566 CA PHE A 39 24.480 -25.453 -4.594 1.00 0.00 C ATOM 567 C PHE A 39 25.949 -25.416 -5.006 1.00 0.00 C ATOM 568 O PHE A 39 26.833 -25.217 -4.174 1.00 0.00 O ATOM 569 CB PHE A 39 23.846 -24.076 -4.800 1.00 0.00 C ATOM 570 CG PHE A 39 24.575 -22.968 -4.096 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.373 -22.737 -2.745 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.464 -22.158 -4.785 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.043 -21.717 -2.095 1.00 0.00 C ATOM 574 CE2 PHE A 39 26.137 -21.137 -4.140 1.00 0.00 C ATOM 575 CZ PHE A 39 25.927 -20.918 -2.793 1.00 0.00 C ATOM 0 H PHE A 39 25.042 -25.481 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 39 23.963 -26.181 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.812 -23.857 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.815 -24.103 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.685 -23.360 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.633 -22.326 -5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.875 -21.545 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.826 -20.512 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.453 -20.123 -2.286 1.00 0.00 H new ATOM 585 N ARG A 40 26.199 -25.610 -6.297 1.00 0.00 N ATOM 586 CA ARG A 40 27.560 -25.601 -6.820 1.00 0.00 C ATOM 587 C ARG A 40 27.787 -24.393 -7.725 1.00 0.00 C ATOM 588 O ARG A 40 26.865 -23.921 -8.391 1.00 0.00 O ATOM 589 CB ARG A 40 27.840 -26.891 -7.594 1.00 0.00 C ATOM 590 CG ARG A 40 29.168 -26.881 -8.334 1.00 0.00 C ATOM 591 CD ARG A 40 29.326 -28.114 -9.210 1.00 0.00 C ATOM 592 NE ARG A 40 30.447 -27.985 -10.138 1.00 0.00 N ATOM 593 CZ ARG A 40 31.703 -28.274 -9.818 1.00 0.00 C ATOM 594 NH1 ARG A 40 31.998 -28.706 -8.600 1.00 0.00 N ATOM 595 NH2 ARG A 40 32.668 -28.132 -10.718 1.00 0.00 N ATOM 0 H ARG A 40 25.478 -25.775 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 40 28.246 -25.535 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.827 -27.731 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.036 -27.057 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.236 -25.984 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.986 -26.837 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.476 -28.990 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.407 -28.280 -9.772 1.00 0.00 H new ATOM 0 HE ARG A 40 30.254 -27.655 -11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 40 31.259 -28.817 -7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 40 32.964 -28.927 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.445 -27.801 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 40 33.632 -28.354 -10.471 1.00 0.00 H new ATOM 609 N VAL A 41 29.020 -23.897 -7.743 1.00 0.00 N ATOM 610 CA VAL A 41 29.368 -22.744 -8.565 1.00 0.00 C ATOM 611 C VAL A 41 29.999 -23.180 -9.883 1.00 0.00 C ATOM 612 O VAL A 41 31.219 -23.141 -10.042 1.00 0.00 O ATOM 613 CB VAL A 41 30.340 -21.803 -7.829 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.710 -20.621 -8.713 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.731 -21.329 -6.518 1.00 0.00 C ATOM 0 H VAL A 41 29.795 -24.276 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 41 28.441 -22.208 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 41 31.252 -22.355 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.397 -19.967 -8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.189 -20.983 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.809 -20.065 -8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.431 -20.665 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.804 -20.793 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.521 -22.189 -5.882 1.00 0.00 H new ATOM 625 N VAL A 42 29.160 -23.595 -10.826 1.00 0.00 N ATOM 626 CA VAL A 42 29.635 -24.037 -12.132 1.00 0.00 C ATOM 627 C VAL A 42 30.613 -23.032 -12.730 1.00 0.00 C ATOM 628 O VAL A 42 31.682 -23.402 -13.216 1.00 0.00 O ATOM 629 CB VAL A 42 28.467 -24.246 -13.113 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.975 -24.780 -14.443 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.429 -25.184 -12.514 1.00 0.00 C ATOM 0 H VAL A 42 28.147 -23.635 -10.710 1.00 0.00 H new ATOM 0 HA VAL A 42 30.145 -24.988 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 42 27.991 -23.282 -13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.135 -24.921 -15.123 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.677 -24.068 -14.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.477 -25.734 -14.284 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.611 -25.320 -13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.890 -26.149 -12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.042 -24.756 -11.589 1.00 0.00 H new ATOM 641 N LYS A 43 30.241 -21.757 -12.690 1.00 0.00 N ATOM 642 CA LYS A 43 31.085 -20.696 -13.226 1.00 0.00 C ATOM 643 C LYS A 43 31.526 -19.741 -12.121 1.00 0.00 C ATOM 644 O LYS A 43 30.819 -18.788 -11.792 1.00 0.00 O ATOM 645 CB LYS A 43 30.338 -19.922 -14.315 1.00 0.00 C ATOM 646 CG LYS A 43 30.034 -20.752 -15.550 1.00 0.00 C ATOM 647 CD LYS A 43 29.066 -20.036 -16.478 1.00 0.00 C ATOM 648 CE LYS A 43 28.721 -20.890 -17.689 1.00 0.00 C ATOM 649 NZ LYS A 43 29.602 -20.586 -18.850 1.00 0.00 N ATOM 0 H LYS A 43 29.360 -21.433 -12.291 1.00 0.00 H new ATOM 0 HA LYS A 43 31.972 -21.157 -13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.403 -19.543 -13.903 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.932 -19.056 -14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.960 -20.965 -16.083 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.611 -21.711 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.154 -19.789 -15.934 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.506 -19.095 -16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.814 -21.944 -17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.681 -20.721 -17.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.336 -21.188 -19.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.494 -19.586 -19.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.592 -20.771 -18.592 1.00 0.00 H new ATOM 663 N SER A 44 32.699 -20.002 -11.553 1.00 0.00 N ATOM 664 CA SER A 44 33.233 -19.167 -10.483 1.00 0.00 C ATOM 665 C SER A 44 33.577 -17.774 -11.002 1.00 0.00 C ATOM 666 O SER A 44 33.555 -16.799 -10.252 1.00 0.00 O ATOM 667 CB SER A 44 34.475 -19.818 -9.872 1.00 0.00 C ATOM 668 OG SER A 44 35.516 -19.927 -10.827 1.00 0.00 O ATOM 0 H SER A 44 33.298 -20.785 -11.816 1.00 0.00 H new ATOM 0 HA SER A 44 32.467 -19.070 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.818 -19.228 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.221 -20.807 -9.492 1.00 0.00 H new ATOM 0 HG SER A 44 36.299 -20.345 -10.411 1.00 0.00 H new ATOM 674 N GLU A 45 33.895 -17.691 -12.290 1.00 0.00 N ATOM 675 CA GLU A 45 34.245 -16.418 -12.909 1.00 0.00 C ATOM 676 C GLU A 45 32.994 -15.604 -13.223 1.00 0.00 C ATOM 677 O GLU A 45 32.971 -14.387 -13.041 1.00 0.00 O ATOM 678 CB GLU A 45 35.049 -16.652 -14.190 1.00 0.00 C ATOM 679 CG GLU A 45 34.258 -17.344 -15.287 1.00 0.00 C ATOM 680 CD GLU A 45 35.138 -18.155 -16.218 1.00 0.00 C ATOM 681 OE1 GLU A 45 36.308 -17.767 -16.416 1.00 0.00 O ATOM 682 OE2 GLU A 45 34.657 -19.178 -16.748 1.00 0.00 O ATOM 0 H GLU A 45 33.917 -18.489 -12.924 1.00 0.00 H new ATOM 0 HA GLU A 45 34.856 -15.856 -12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.409 -15.693 -14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.927 -17.252 -13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.513 -17.999 -14.835 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.716 -16.596 -15.866 1.00 0.00 H new ATOM 689 N ALA A 46 31.955 -16.284 -13.696 1.00 0.00 N ATOM 690 CA ALA A 46 30.700 -15.625 -14.034 1.00 0.00 C ATOM 691 C ALA A 46 29.987 -15.126 -12.782 1.00 0.00 C ATOM 692 O ALA A 46 29.368 -14.061 -12.790 1.00 0.00 O ATOM 693 CB ALA A 46 29.800 -16.573 -14.814 1.00 0.00 C ATOM 0 H ALA A 46 31.958 -17.292 -13.854 1.00 0.00 H new ATOM 0 HA ALA A 46 30.928 -14.761 -14.658 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.866 -16.068 -15.060 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.301 -16.877 -15.733 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.588 -17.454 -14.208 1.00 0.00 H new ATOM 699 N LEU A 47 30.078 -15.901 -11.707 1.00 0.00 N ATOM 700 CA LEU A 47 29.441 -15.537 -10.446 1.00 0.00 C ATOM 701 C LEU A 47 30.007 -14.228 -9.907 1.00 0.00 C ATOM 702 O LEU A 47 29.268 -13.376 -9.414 1.00 0.00 O ATOM 703 CB LEU A 47 29.632 -16.651 -9.415 1.00 0.00 C ATOM 704 CG LEU A 47 29.355 -16.274 -7.959 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.879 -15.971 -7.758 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.806 -17.387 -7.025 1.00 0.00 C ATOM 0 H LEU A 47 30.586 -16.785 -11.683 1.00 0.00 H new ATOM 0 HA LEU A 47 28.376 -15.401 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 47 28.981 -17.483 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.658 -17.013 -9.487 1.00 0.00 H new ATOM 0 HG LEU A 47 29.924 -15.375 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.701 -15.705 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.588 -15.140 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.289 -16.851 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.601 -17.101 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.265 -18.303 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.876 -17.555 -7.149 1.00 0.00 H new ATOM 718 N ALA A 48 31.324 -14.073 -10.007 1.00 0.00 N ATOM 719 CA ALA A 48 31.989 -12.865 -9.534 1.00 0.00 C ATOM 720 C ALA A 48 31.703 -11.684 -10.455 1.00 0.00 C ATOM 721 O ALA A 48 31.365 -10.593 -9.996 1.00 0.00 O ATOM 722 CB ALA A 48 33.488 -13.099 -9.421 1.00 0.00 C ATOM 0 H ALA A 48 31.951 -14.769 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 48 31.594 -12.625 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.973 -12.189 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.678 -13.909 -8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.889 -13.367 -10.398 1.00 0.00 H new ATOM 728 N LYS A 49 31.842 -11.909 -11.757 1.00 0.00 N ATOM 729 CA LYS A 49 31.599 -10.863 -12.745 1.00 0.00 C ATOM 730 C LYS A 49 30.213 -10.252 -12.559 1.00 0.00 C ATOM 731 O LYS A 49 30.066 -9.032 -12.507 1.00 0.00 O ATOM 732 CB LYS A 49 31.733 -11.429 -14.160 1.00 0.00 C ATOM 733 CG LYS A 49 32.979 -10.956 -14.889 1.00 0.00 C ATOM 734 CD LYS A 49 33.804 -12.125 -15.399 1.00 0.00 C ATOM 735 CE LYS A 49 35.047 -11.651 -16.135 1.00 0.00 C ATOM 736 NZ LYS A 49 36.058 -12.735 -16.273 1.00 0.00 N ATOM 0 H LYS A 49 32.122 -12.806 -12.153 1.00 0.00 H new ATOM 0 HA LYS A 49 32.344 -10.081 -12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.744 -12.518 -14.107 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.854 -11.147 -14.740 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.692 -10.319 -15.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.585 -10.347 -14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 49 34.095 -12.759 -14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 49 33.196 -12.737 -16.066 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.767 -11.288 -17.124 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.487 -10.810 -15.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.890 -12.371 -16.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 36.345 -13.065 -15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 35.647 -13.528 -16.806 1.00 0.00 H new ATOM 750 N MET A 50 29.202 -11.109 -12.459 1.00 0.00 N ATOM 751 CA MET A 50 27.829 -10.652 -12.276 1.00 0.00 C ATOM 752 C MET A 50 27.681 -9.885 -10.966 1.00 0.00 C ATOM 753 O MET A 50 27.214 -8.746 -10.952 1.00 0.00 O ATOM 754 CB MET A 50 26.867 -11.840 -12.297 1.00 0.00 C ATOM 755 CG MET A 50 26.327 -12.162 -13.682 1.00 0.00 C ATOM 756 SD MET A 50 24.577 -11.764 -13.855 1.00 0.00 S ATOM 757 CE MET A 50 23.858 -12.866 -12.641 1.00 0.00 C ATOM 0 H MET A 50 29.307 -12.123 -12.502 1.00 0.00 H new ATOM 0 HA MET A 50 27.583 -9.980 -13.099 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.379 -12.718 -11.902 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.031 -11.632 -11.630 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.897 -11.608 -14.428 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.477 -13.222 -13.889 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.189 -13.568 -13.138 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.651 -13.417 -12.135 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.296 -12.285 -11.910 1.00 0.00 H new ATOM 767 N TRP A 51 28.081 -10.517 -9.868 1.00 0.00 N ATOM 768 CA TRP A 51 27.992 -9.893 -8.553 1.00 0.00 C ATOM 769 C TRP A 51 28.576 -8.485 -8.577 1.00 0.00 C ATOM 770 O TRP A 51 27.915 -7.522 -8.193 1.00 0.00 O ATOM 771 CB TRP A 51 28.723 -10.744 -7.512 1.00 0.00 C ATOM 772 CG TRP A 51 28.811 -10.090 -6.166 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.932 -9.936 -5.401 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.734 -9.504 -5.426 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.617 -9.290 -4.230 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.275 -9.014 -4.222 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.367 -9.345 -5.665 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.495 -8.377 -3.261 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.593 -8.713 -4.710 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.159 -8.234 -3.520 1.00 0.00 C ATOM 0 H TRP A 51 28.470 -11.460 -9.862 1.00 0.00 H new ATOM 0 HA TRP A 51 26.939 -9.824 -8.282 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.210 -11.701 -7.410 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.730 -10.958 -7.870 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.921 -10.273 -5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.275 -9.054 -3.487 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.923 -9.709 -6.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.929 -8.009 -2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.535 -8.586 -4.883 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.528 -7.743 -2.794 1.00 0.00 H new ATOM 791 N GLY A 52 29.821 -8.373 -9.031 1.00 0.00 N ATOM 792 CA GLY A 52 30.473 -7.078 -9.097 1.00 0.00 C ATOM 793 C GLY A 52 29.590 -6.016 -9.722 1.00 0.00 C ATOM 794 O GLY A 52 29.500 -4.898 -9.215 1.00 0.00 O ATOM 0 H GLY A 52 30.389 -9.156 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.756 -6.765 -8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.393 -7.167 -9.674 1.00 0.00 H new ATOM 798 N GLN A 53 28.938 -6.365 -10.826 1.00 0.00 N ATOM 799 CA GLN A 53 28.060 -5.431 -11.522 1.00 0.00 C ATOM 800 C GLN A 53 27.014 -4.858 -10.573 1.00 0.00 C ATOM 801 O GLN A 53 26.609 -3.702 -10.704 1.00 0.00 O ATOM 802 CB GLN A 53 27.372 -6.126 -12.699 1.00 0.00 C ATOM 803 CG GLN A 53 28.328 -6.529 -13.810 1.00 0.00 C ATOM 804 CD GLN A 53 27.784 -6.216 -15.190 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.508 -5.061 -15.514 1.00 0.00 O ATOM 806 NE2 GLN A 53 27.627 -7.247 -16.012 1.00 0.00 N ATOM 0 H GLN A 53 29.001 -7.287 -11.258 1.00 0.00 H new ATOM 0 HA GLN A 53 28.670 -4.610 -11.900 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.856 -7.014 -12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.611 -5.461 -13.109 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.278 -6.012 -13.672 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.533 -7.597 -13.738 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.869 -8.188 -15.702 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.265 -7.098 -16.954 1.00 0.00 H new ATOM 815 N ARG A 54 26.579 -5.672 -9.617 1.00 0.00 N ATOM 816 CA ARG A 54 25.579 -5.246 -8.646 1.00 0.00 C ATOM 817 C ARG A 54 26.165 -4.229 -7.671 1.00 0.00 C ATOM 818 O ARG A 54 25.484 -3.294 -7.248 1.00 0.00 O ATOM 819 CB ARG A 54 25.038 -6.452 -7.876 1.00 0.00 C ATOM 820 CG ARG A 54 24.852 -7.691 -8.737 1.00 0.00 C ATOM 821 CD ARG A 54 24.017 -7.391 -9.972 1.00 0.00 C ATOM 822 NE ARG A 54 22.587 -7.539 -9.716 1.00 0.00 N ATOM 823 CZ ARG A 54 21.666 -7.544 -10.672 1.00 0.00 C ATOM 824 NH1 ARG A 54 22.023 -7.411 -11.942 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.384 -7.684 -10.360 1.00 0.00 N ATOM 0 H ARG A 54 26.904 -6.631 -9.494 1.00 0.00 H new ATOM 0 HA ARG A 54 24.761 -4.773 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.720 -6.687 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.082 -6.186 -7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.826 -8.075 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.369 -8.473 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.221 -6.375 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.312 -8.061 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 54 22.279 -7.644 -8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.008 -7.305 -12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.313 -7.415 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.105 -7.788 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.678 -7.688 -11.096 1.00 0.00 H new ATOM 839 N LYS A 55 27.432 -4.417 -7.319 1.00 0.00 N ATOM 840 CA LYS A 55 28.112 -3.517 -6.395 1.00 0.00 C ATOM 841 C LYS A 55 28.931 -2.477 -7.153 1.00 0.00 C ATOM 842 O LYS A 55 29.734 -1.753 -6.563 1.00 0.00 O ATOM 843 CB LYS A 55 29.020 -4.310 -5.453 1.00 0.00 C ATOM 844 CG LYS A 55 28.264 -5.231 -4.512 1.00 0.00 C ATOM 845 CD LYS A 55 28.378 -4.770 -3.069 1.00 0.00 C ATOM 846 CE LYS A 55 27.279 -3.781 -2.712 1.00 0.00 C ATOM 847 NZ LYS A 55 27.703 -2.372 -2.946 1.00 0.00 N ATOM 0 H LYS A 55 28.009 -5.186 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 55 27.354 -2.999 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.716 -4.903 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.616 -3.613 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.214 -5.266 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.654 -6.245 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.323 -5.633 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 55 29.352 -4.307 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.390 -3.996 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 55 27.002 -3.908 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 27.791 -1.880 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.621 -2.362 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 26.993 -1.889 -3.533 1.00 0.00 H new ATOM 861 N LYS A 56 28.723 -2.406 -8.464 1.00 0.00 N ATOM 862 CA LYS A 56 29.440 -1.453 -9.303 1.00 0.00 C ATOM 863 C LYS A 56 30.948 -1.643 -9.175 1.00 0.00 C ATOM 864 O LYS A 56 31.723 -0.722 -9.430 1.00 0.00 O ATOM 865 CB LYS A 56 29.061 -0.021 -8.921 1.00 0.00 C ATOM 866 CG LYS A 56 27.909 0.542 -9.735 1.00 0.00 C ATOM 867 CD LYS A 56 28.356 1.707 -10.602 1.00 0.00 C ATOM 868 CE LYS A 56 27.169 2.425 -11.225 1.00 0.00 C ATOM 869 NZ LYS A 56 27.305 2.543 -12.703 1.00 0.00 N ATOM 0 H LYS A 56 28.063 -2.998 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 56 29.156 -1.633 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.795 0.006 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.932 0.622 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.490 -0.242 -10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 56 27.115 0.870 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.933 2.409 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.017 1.344 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 56 26.252 1.885 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 56 27.076 3.419 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.476 3.038 -13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 28.166 3.080 -12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 27.368 1.594 -13.123 1.00 0.00 H new ATOM 883 N ASN A 57 31.357 -2.844 -8.780 1.00 0.00 N ATOM 884 CA ASN A 57 32.773 -3.155 -8.620 1.00 0.00 C ATOM 885 C ASN A 57 33.336 -3.795 -9.885 1.00 0.00 C ATOM 886 O ASN A 57 33.272 -5.013 -10.058 1.00 0.00 O ATOM 887 CB ASN A 57 32.980 -4.089 -7.426 1.00 0.00 C ATOM 888 CG ASN A 57 34.444 -4.398 -7.180 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.290 -4.183 -8.049 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.750 -4.904 -5.991 1.00 0.00 N ATOM 0 H ASN A 57 30.728 -3.618 -8.565 1.00 0.00 H new ATOM 0 HA ASN A 57 33.306 -2.222 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.553 -3.633 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.439 -5.020 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.719 -5.131 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 57 34.016 -5.066 -5.301 1.00 0.00 H new ATOM 897 N ASP A 58 33.889 -2.968 -10.765 1.00 0.00 N ATOM 898 CA ASP A 58 34.465 -3.453 -12.014 1.00 0.00 C ATOM 899 C ASP A 58 35.636 -4.392 -11.743 1.00 0.00 C ATOM 900 O ASP A 58 36.032 -5.172 -12.609 1.00 0.00 O ATOM 901 CB ASP A 58 34.927 -2.278 -12.877 1.00 0.00 C ATOM 902 CG ASP A 58 35.687 -2.729 -14.109 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.312 -3.768 -14.691 1.00 0.00 O ATOM 904 OD2 ASP A 58 36.656 -2.041 -14.492 1.00 0.00 O ATOM 0 H ASP A 58 33.951 -1.958 -10.637 1.00 0.00 H new ATOM 0 HA ASP A 58 33.695 -4.007 -12.550 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.060 -1.692 -13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.562 -1.621 -12.282 1.00 0.00 H new ATOM 909 N ARG A 59 36.186 -4.311 -10.536 1.00 0.00 N ATOM 910 CA ARG A 59 37.313 -5.152 -10.152 1.00 0.00 C ATOM 911 C ARG A 59 36.849 -6.323 -9.290 1.00 0.00 C ATOM 912 O ARG A 59 37.566 -6.770 -8.395 1.00 0.00 O ATOM 913 CB ARG A 59 38.357 -4.330 -9.394 1.00 0.00 C ATOM 914 CG ARG A 59 38.906 -3.159 -10.192 1.00 0.00 C ATOM 915 CD ARG A 59 40.154 -2.579 -9.545 1.00 0.00 C ATOM 916 NE ARG A 59 41.259 -3.533 -9.536 1.00 0.00 N ATOM 917 CZ ARG A 59 42.475 -3.246 -9.083 1.00 0.00 C ATOM 918 NH1 ARG A 59 42.739 -2.038 -8.605 1.00 0.00 N ATOM 919 NH2 ARG A 59 43.429 -4.168 -9.108 1.00 0.00 N ATOM 0 H ARG A 59 35.869 -3.671 -9.807 1.00 0.00 H new ATOM 0 HA ARG A 59 37.764 -5.548 -11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.912 -3.954 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 59 39.182 -4.982 -9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.139 -3.485 -11.206 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.144 -2.384 -10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.456 -1.680 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 59 39.926 -2.279 -8.522 1.00 0.00 H new ATOM 0 HE ARG A 59 41.088 -4.471 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 59 42.008 -1.327 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 59 43.673 -1.820 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 59 43.230 -5.098 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 59 44.362 -3.946 -8.760 1.00 0.00 H new ATOM 933 N MET A 60 35.646 -6.815 -9.567 1.00 0.00 N ATOM 934 CA MET A 60 35.087 -7.934 -8.818 1.00 0.00 C ATOM 935 C MET A 60 35.588 -9.263 -9.371 1.00 0.00 C ATOM 936 O MET A 60 35.564 -9.494 -10.581 1.00 0.00 O ATOM 937 CB MET A 60 33.558 -7.893 -8.864 1.00 0.00 C ATOM 938 CG MET A 60 32.897 -9.069 -8.164 1.00 0.00 C ATOM 939 SD MET A 60 33.446 -9.259 -6.456 1.00 0.00 S ATOM 940 CE MET A 60 32.521 -7.950 -5.656 1.00 0.00 C ATOM 0 H MET A 60 35.040 -6.456 -10.305 1.00 0.00 H new ATOM 0 HA MET A 60 35.415 -7.845 -7.782 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.214 -6.967 -8.404 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.234 -7.872 -9.905 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.815 -8.936 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 60 33.114 -9.984 -8.715 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.265 -8.254 -4.641 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.127 -7.045 -5.622 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.608 -7.754 -6.218 1.00 0.00 H new ATOM 950 N THR A 61 36.043 -10.137 -8.478 1.00 0.00 N ATOM 951 CA THR A 61 36.552 -11.443 -8.878 1.00 0.00 C ATOM 952 C THR A 61 36.325 -12.480 -7.783 1.00 0.00 C ATOM 953 O THR A 61 36.370 -12.162 -6.595 1.00 0.00 O ATOM 954 CB THR A 61 38.055 -11.384 -9.208 1.00 0.00 C ATOM 955 OG1 THR A 61 38.554 -12.702 -9.462 1.00 0.00 O ATOM 956 CG2 THR A 61 38.836 -10.752 -8.066 1.00 0.00 C ATOM 0 H THR A 61 36.069 -9.964 -7.473 1.00 0.00 H new ATOM 0 HA THR A 61 36.002 -11.735 -9.773 1.00 0.00 H new ATOM 0 HB THR A 61 38.184 -10.770 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.510 -12.655 -9.673 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.895 -10.721 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.475 -9.738 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.699 -11.343 -7.161 1.00 0.00 H new ATOM 964 N TYR A 62 36.080 -13.720 -8.191 1.00 0.00 N ATOM 965 CA TYR A 62 35.844 -14.804 -7.245 1.00 0.00 C ATOM 966 C TYR A 62 36.776 -14.689 -6.042 1.00 0.00 C ATOM 967 O TYR A 62 36.348 -14.827 -4.897 1.00 0.00 O ATOM 968 CB TYR A 62 36.040 -16.158 -7.928 1.00 0.00 C ATOM 969 CG TYR A 62 35.330 -17.296 -7.231 1.00 0.00 C ATOM 970 CD1 TYR A 62 34.015 -17.163 -6.804 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.975 -18.505 -6.998 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.362 -18.200 -6.165 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.330 -19.548 -6.362 1.00 0.00 C ATOM 974 CZ TYR A 62 34.024 -19.391 -5.947 1.00 0.00 C ATOM 975 OH TYR A 62 33.379 -20.427 -5.312 1.00 0.00 O ATOM 0 H TYR A 62 36.040 -14.000 -9.171 1.00 0.00 H new ATOM 0 HA TYR A 62 34.815 -14.728 -6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.682 -16.092 -8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.106 -16.381 -7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.494 -16.233 -6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.998 -18.631 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.340 -18.079 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.846 -20.481 -6.191 1.00 0.00 H new ATOM 0 HH TYR A 62 33.605 -20.417 -4.358 1.00 0.00 H new ATOM 985 N GLU A 63 38.053 -14.435 -6.313 1.00 0.00 N ATOM 986 CA GLU A 63 39.046 -14.302 -5.253 1.00 0.00 C ATOM 987 C GLU A 63 38.578 -13.313 -4.190 1.00 0.00 C ATOM 988 O GLU A 63 38.751 -13.542 -2.993 1.00 0.00 O ATOM 989 CB GLU A 63 40.386 -13.846 -5.835 1.00 0.00 C ATOM 990 CG GLU A 63 41.261 -14.991 -6.318 1.00 0.00 C ATOM 991 CD GLU A 63 42.501 -14.511 -7.046 1.00 0.00 C ATOM 992 OE1 GLU A 63 43.391 -13.934 -6.387 1.00 0.00 O ATOM 993 OE2 GLU A 63 42.580 -14.711 -8.277 1.00 0.00 O ATOM 0 H GLU A 63 38.424 -14.317 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 63 39.174 -15.278 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.199 -13.167 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.928 -13.280 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.558 -15.601 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.680 -15.632 -6.981 1.00 0.00 H new ATOM 1000 N LYS A 64 37.983 -12.211 -4.636 1.00 0.00 N ATOM 1001 CA LYS A 64 37.489 -11.186 -3.724 1.00 0.00 C ATOM 1002 C LYS A 64 36.107 -11.552 -3.192 1.00 0.00 C ATOM 1003 O LYS A 64 35.848 -11.459 -1.991 1.00 0.00 O ATOM 1004 CB LYS A 64 37.432 -9.830 -4.432 1.00 0.00 C ATOM 1005 CG LYS A 64 38.789 -9.325 -4.888 1.00 0.00 C ATOM 1006 CD LYS A 64 38.671 -8.007 -5.635 1.00 0.00 C ATOM 1007 CE LYS A 64 39.893 -7.747 -6.504 1.00 0.00 C ATOM 1008 NZ LYS A 64 40.579 -6.480 -6.131 1.00 0.00 N ATOM 0 H LYS A 64 37.831 -12.005 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 64 38.178 -11.121 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.773 -9.909 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.988 -9.096 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.440 -9.197 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.257 -10.069 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.776 -8.019 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.551 -7.192 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.590 -8.579 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.592 -7.702 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.406 -6.339 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.922 -5.682 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 40.889 -6.532 -5.140 1.00 0.00 H new ATOM 1022 N LEU A 65 35.223 -11.970 -4.091 1.00 0.00 N ATOM 1023 CA LEU A 65 33.867 -12.352 -3.712 1.00 0.00 C ATOM 1024 C LEU A 65 33.886 -13.350 -2.559 1.00 0.00 C ATOM 1025 O LEU A 65 33.144 -13.205 -1.587 1.00 0.00 O ATOM 1026 CB LEU A 65 33.131 -12.953 -4.910 1.00 0.00 C ATOM 1027 CG LEU A 65 31.766 -13.576 -4.616 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.779 -13.248 -5.726 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.893 -15.082 -4.441 1.00 0.00 C ATOM 0 H LEU A 65 35.421 -12.053 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 65 33.341 -11.455 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.998 -12.172 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.768 -13.717 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 65 31.388 -13.153 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.813 -13.700 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.665 -12.167 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.151 -13.642 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.912 -15.508 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.293 -15.522 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.566 -15.296 -3.610 1.00 0.00 H new ATOM 1041 N SER A 66 34.740 -14.362 -2.672 1.00 0.00 N ATOM 1042 CA SER A 66 34.854 -15.386 -1.640 1.00 0.00 C ATOM 1043 C SER A 66 34.884 -14.755 -0.251 1.00 0.00 C ATOM 1044 O SER A 66 34.380 -15.330 0.715 1.00 0.00 O ATOM 1045 CB SER A 66 36.115 -16.223 -1.859 1.00 0.00 C ATOM 1046 OG SER A 66 37.282 -15.430 -1.734 1.00 0.00 O ATOM 0 H SER A 66 35.363 -14.495 -3.468 1.00 0.00 H new ATOM 0 HA SER A 66 33.980 -16.034 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 66 36.145 -17.037 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 66 36.085 -16.678 -2.849 1.00 0.00 H new ATOM 0 HG SER A 66 37.361 -14.839 -2.512 1.00 0.00 H new ATOM 1052 N ARG A 67 35.478 -13.570 -0.158 1.00 0.00 N ATOM 1053 CA ARG A 67 35.576 -12.861 1.112 1.00 0.00 C ATOM 1054 C ARG A 67 34.234 -12.862 1.839 1.00 0.00 C ATOM 1055 O ARG A 67 34.173 -13.076 3.049 1.00 0.00 O ATOM 1056 CB ARG A 67 36.044 -11.423 0.883 1.00 0.00 C ATOM 1057 CG ARG A 67 34.912 -10.455 0.580 1.00 0.00 C ATOM 1058 CD ARG A 67 35.402 -9.016 0.550 1.00 0.00 C ATOM 1059 NE ARG A 67 34.418 -8.091 1.107 1.00 0.00 N ATOM 1060 CZ ARG A 67 33.274 -7.785 0.504 1.00 0.00 C ATOM 1061 NH1 ARG A 67 32.972 -8.328 -0.667 1.00 0.00 N ATOM 1062 NH2 ARG A 67 32.430 -6.935 1.074 1.00 0.00 N ATOM 0 H ARG A 67 35.899 -13.080 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 67 36.307 -13.378 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.578 -11.078 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.754 -11.408 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.463 -10.708 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.131 -10.559 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.332 -8.938 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.627 -8.731 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 67 34.620 -7.657 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 67 33.618 -8.983 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 67 32.093 -8.091 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 67 32.659 -6.516 1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 67 31.552 -6.700 0.611 1.00 0.00 H new ATOM 1076 N ALA A 68 33.162 -12.619 1.092 1.00 0.00 N ATOM 1077 CA ALA A 68 31.822 -12.592 1.665 1.00 0.00 C ATOM 1078 C ALA A 68 31.329 -14.002 1.973 1.00 0.00 C ATOM 1079 O ALA A 68 30.612 -14.220 2.951 1.00 0.00 O ATOM 1080 CB ALA A 68 30.859 -11.888 0.721 1.00 0.00 C ATOM 0 H ALA A 68 33.196 -12.438 0.089 1.00 0.00 H new ATOM 0 HA ALA A 68 31.865 -12.037 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.862 -11.875 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.196 -10.865 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.829 -12.419 -0.230 1.00 0.00 H new ATOM 1086 N LEU A 69 31.717 -14.956 1.134 1.00 0.00 N ATOM 1087 CA LEU A 69 31.313 -16.346 1.316 1.00 0.00 C ATOM 1088 C LEU A 69 31.877 -16.910 2.616 1.00 0.00 C ATOM 1089 O LEU A 69 31.180 -17.604 3.357 1.00 0.00 O ATOM 1090 CB LEU A 69 31.782 -17.193 0.133 1.00 0.00 C ATOM 1091 CG LEU A 69 31.366 -16.700 -1.253 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.858 -17.654 -2.330 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.855 -16.539 -1.330 1.00 0.00 C ATOM 0 H LEU A 69 32.311 -14.793 0.321 1.00 0.00 H new ATOM 0 HA LEU A 69 30.225 -16.379 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.870 -17.253 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.403 -18.206 0.265 1.00 0.00 H new ATOM 0 HG LEU A 69 31.825 -15.726 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.552 -17.286 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.945 -17.718 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.430 -18.642 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.577 -16.187 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.377 -17.499 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.528 -15.815 -0.584 1.00 0.00 H new ATOM 1105 N ARG A 70 33.142 -16.607 2.888 1.00 0.00 N ATOM 1106 CA ARG A 70 33.799 -17.083 4.099 1.00 0.00 C ATOM 1107 C ARG A 70 33.316 -16.307 5.321 1.00 0.00 C ATOM 1108 O ARG A 70 33.455 -16.765 6.455 1.00 0.00 O ATOM 1109 CB ARG A 70 35.317 -16.953 3.966 1.00 0.00 C ATOM 1110 CG ARG A 70 35.894 -17.728 2.792 1.00 0.00 C ATOM 1111 CD ARG A 70 36.566 -19.013 3.249 1.00 0.00 C ATOM 1112 NE ARG A 70 38.005 -18.998 2.997 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.545 -19.231 1.806 1.00 0.00 C ATOM 1114 NH1 ARG A 70 37.770 -19.495 0.763 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.863 -19.199 1.656 1.00 0.00 N ATOM 0 H ARG A 70 33.733 -16.034 2.286 1.00 0.00 H new ATOM 0 HA ARG A 70 33.542 -18.134 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.575 -15.900 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.785 -17.302 4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.099 -17.964 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.617 -17.106 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.386 -19.157 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.116 -19.861 2.732 1.00 0.00 H new ATOM 0 HE ARG A 70 38.629 -18.798 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 70 36.756 -19.520 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 70 38.187 -19.674 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.463 -18.995 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.277 -19.378 0.741 1.00 0.00 H new ATOM 1129 N TYR A 71 32.751 -15.129 5.081 1.00 0.00 N ATOM 1130 CA TYR A 71 32.250 -14.287 6.161 1.00 0.00 C ATOM 1131 C TYR A 71 30.809 -14.646 6.508 1.00 0.00 C ATOM 1132 O TYR A 71 30.297 -14.260 7.559 1.00 0.00 O ATOM 1133 CB TYR A 71 32.340 -12.811 5.770 1.00 0.00 C ATOM 1134 CG TYR A 71 31.372 -11.925 6.521 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.523 -11.697 7.883 1.00 0.00 C ATOM 1136 CD2 TYR A 71 30.306 -11.318 5.869 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.641 -10.889 8.574 1.00 0.00 C ATOM 1138 CE2 TYR A 71 29.420 -10.507 6.551 1.00 0.00 C ATOM 1139 CZ TYR A 71 29.591 -10.296 7.904 1.00 0.00 C ATOM 1140 OH TYR A 71 28.710 -9.490 8.587 1.00 0.00 O ATOM 0 H TYR A 71 32.628 -14.735 4.148 1.00 0.00 H new ATOM 0 HA TYR A 71 32.870 -14.461 7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.356 -12.458 5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.152 -12.715 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 71 32.344 -12.159 8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.168 -11.483 4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 71 30.773 -10.722 9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 71 28.598 -10.041 6.028 1.00 0.00 H new ATOM 0 HH TYR A 71 28.030 -9.150 7.968 1.00 0.00 H new ATOM 1150 N TYR A 72 30.160 -15.388 5.618 1.00 0.00 N ATOM 1151 CA TYR A 72 28.777 -15.798 5.827 1.00 0.00 C ATOM 1152 C TYR A 72 28.700 -16.987 6.781 1.00 0.00 C ATOM 1153 O TYR A 72 27.619 -17.363 7.236 1.00 0.00 O ATOM 1154 CB TYR A 72 28.121 -16.157 4.493 1.00 0.00 C ATOM 1155 CG TYR A 72 27.641 -14.955 3.711 1.00 0.00 C ATOM 1156 CD1 TYR A 72 26.930 -13.936 4.334 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.897 -14.839 2.351 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.489 -12.836 3.624 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.461 -13.742 1.633 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.757 -12.743 2.274 1.00 0.00 C ATOM 1161 OH TYR A 72 26.320 -11.650 1.562 1.00 0.00 O ATOM 0 H TYR A 72 30.570 -15.718 4.744 1.00 0.00 H new ATOM 0 HA TYR A 72 28.240 -14.961 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.834 -16.714 3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.276 -16.819 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.719 -14.005 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.446 -15.620 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 72 25.937 -12.053 4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.670 -13.667 0.576 1.00 0.00 H new ATOM 0 HH TYR A 72 27.060 -11.019 1.444 1.00 0.00 H new ATOM 1171 N TYR A 73 29.853 -17.574 7.078 1.00 0.00 N ATOM 1172 CA TYR A 73 29.918 -18.721 7.975 1.00 0.00 C ATOM 1173 C TYR A 73 29.672 -18.297 9.420 1.00 0.00 C ATOM 1174 O TYR A 73 28.784 -18.823 10.091 1.00 0.00 O ATOM 1175 CB TYR A 73 31.279 -19.410 7.859 1.00 0.00 C ATOM 1176 CG TYR A 73 31.564 -19.960 6.480 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.558 -20.550 5.725 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.838 -19.888 5.932 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.814 -21.055 4.465 1.00 0.00 C ATOM 1180 CE2 TYR A 73 33.103 -20.388 4.672 1.00 0.00 C ATOM 1181 CZ TYR A 73 32.088 -20.972 3.942 1.00 0.00 C ATOM 1182 OH TYR A 73 32.347 -21.472 2.687 1.00 0.00 O ATOM 0 H TYR A 73 30.756 -17.274 6.711 1.00 0.00 H new ATOM 0 HA TYR A 73 29.137 -19.423 7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.061 -18.699 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.328 -20.224 8.583 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.559 -20.615 6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.635 -19.433 6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 73 30.021 -21.512 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 73 34.099 -20.322 4.260 1.00 0.00 H new ATOM 0 HH TYR A 73 33.292 -21.333 2.468 1.00 0.00 H new ATOM 1192 N LYS A 74 30.464 -17.341 9.893 1.00 0.00 N ATOM 1193 CA LYS A 74 30.334 -16.843 11.257 1.00 0.00 C ATOM 1194 C LYS A 74 28.910 -16.367 11.528 1.00 0.00 C ATOM 1195 O LYS A 74 28.342 -16.645 12.585 1.00 0.00 O ATOM 1196 CB LYS A 74 31.320 -15.699 11.501 1.00 0.00 C ATOM 1197 CG LYS A 74 31.354 -14.676 10.379 1.00 0.00 C ATOM 1198 CD LYS A 74 32.779 -14.285 10.023 1.00 0.00 C ATOM 1199 CE LYS A 74 33.258 -13.105 10.854 1.00 0.00 C ATOM 1200 NZ LYS A 74 34.743 -13.056 10.944 1.00 0.00 N ATOM 0 H LYS A 74 31.204 -16.895 9.351 1.00 0.00 H new ATOM 0 HA LYS A 74 30.562 -17.662 11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 74 31.057 -15.196 12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 74 32.319 -16.114 11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 74 30.857 -15.084 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 74 30.796 -13.788 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.441 -15.136 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 74 32.834 -14.032 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 74 32.890 -12.178 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 74 32.836 -13.172 11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 35.029 -12.238 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.093 -13.929 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 35.146 -12.967 9.989 1.00 0.00 H new ATOM 1214 N THR A 75 28.337 -15.650 10.566 1.00 0.00 N ATOM 1215 CA THR A 75 26.980 -15.137 10.701 1.00 0.00 C ATOM 1216 C THR A 75 25.952 -16.251 10.540 1.00 0.00 C ATOM 1217 O THR A 75 24.810 -16.124 10.981 1.00 0.00 O ATOM 1218 CB THR A 75 26.691 -14.034 9.666 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.438 -14.619 8.384 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.861 -13.066 9.565 1.00 0.00 C ATOM 0 H THR A 75 28.792 -15.412 9.685 1.00 0.00 H new ATOM 0 HA THR A 75 26.900 -14.715 11.703 1.00 0.00 H new ATOM 0 HB THR A 75 25.810 -13.482 9.993 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.569 -13.945 7.685 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.634 -12.296 8.828 1.00 0.00 H new ATOM 0 HG22 THR A 75 28.033 -12.600 10.535 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.756 -13.608 9.259 1.00 0.00 H new ATOM 1228 N GLY A 76 26.365 -17.344 9.906 1.00 0.00 N ATOM 1229 CA GLY A 76 25.467 -18.465 9.698 1.00 0.00 C ATOM 1230 C GLY A 76 24.799 -18.429 8.338 1.00 0.00 C ATOM 1231 O GLY A 76 24.177 -19.406 7.919 1.00 0.00 O ATOM 0 H GLY A 76 27.305 -17.473 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.024 -19.396 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.702 -18.463 10.475 1.00 0.00 H new ATOM 1235 N ILE A 77 24.928 -17.302 7.647 1.00 0.00 N ATOM 1236 CA ILE A 77 24.332 -17.143 6.326 1.00 0.00 C ATOM 1237 C ILE A 77 24.699 -18.309 5.414 1.00 0.00 C ATOM 1238 O ILE A 77 23.856 -18.828 4.681 1.00 0.00 O ATOM 1239 CB ILE A 77 24.775 -15.827 5.662 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.229 -14.628 6.441 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.311 -15.781 4.214 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.755 -14.378 6.209 1.00 0.00 C ATOM 0 H ILE A 77 25.440 -16.485 7.980 1.00 0.00 H new ATOM 0 HA ILE A 77 23.252 -17.122 6.468 1.00 0.00 H new ATOM 0 HB ILE A 77 25.864 -15.780 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.399 -14.789 7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.789 -13.736 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.632 -14.844 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.744 -16.618 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.224 -15.848 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.436 -13.514 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.581 -14.186 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.184 -15.254 6.517 1.00 0.00 H new ATOM 1254 N LEU A 78 25.963 -18.717 5.465 1.00 0.00 N ATOM 1255 CA LEU A 78 26.443 -19.823 4.644 1.00 0.00 C ATOM 1256 C LEU A 78 26.870 -21.001 5.514 1.00 0.00 C ATOM 1257 O LEU A 78 27.026 -20.864 6.727 1.00 0.00 O ATOM 1258 CB LEU A 78 27.614 -19.367 3.773 1.00 0.00 C ATOM 1259 CG LEU A 78 27.254 -18.858 2.376 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.493 -18.348 1.658 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.579 -19.955 1.567 1.00 0.00 C ATOM 0 H LEU A 78 26.673 -18.299 6.066 1.00 0.00 H new ATOM 0 HA LEU A 78 25.625 -20.147 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.146 -18.575 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.308 -20.201 3.666 1.00 0.00 H new ATOM 0 HG LEU A 78 26.554 -18.029 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.217 -17.990 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.934 -17.531 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.218 -19.157 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.330 -19.575 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.255 -20.805 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.668 -20.272 2.074 1.00 0.00 H new ATOM 1273 N GLU A 79 27.060 -22.157 4.885 1.00 0.00 N ATOM 1274 CA GLU A 79 27.471 -23.358 5.602 1.00 0.00 C ATOM 1275 C GLU A 79 28.761 -23.926 5.018 1.00 0.00 C ATOM 1276 O GLU A 79 28.831 -24.240 3.829 1.00 0.00 O ATOM 1277 CB GLU A 79 26.365 -24.414 5.550 1.00 0.00 C ATOM 1278 CG GLU A 79 25.588 -24.547 6.849 1.00 0.00 C ATOM 1279 CD GLU A 79 25.777 -25.901 7.505 1.00 0.00 C ATOM 1280 OE1 GLU A 79 26.847 -26.513 7.306 1.00 0.00 O ATOM 1281 OE2 GLU A 79 24.854 -26.348 8.218 1.00 0.00 O ATOM 0 H GLU A 79 26.936 -22.287 3.881 1.00 0.00 H new ATOM 0 HA GLU A 79 27.653 -23.085 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.673 -24.163 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.807 -25.379 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.905 -23.765 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.528 -24.388 6.652 1.00 0.00 H new ATOM 1288 N ARG A 80 29.779 -24.056 5.862 1.00 0.00 N ATOM 1289 CA ARG A 80 31.067 -24.585 5.429 1.00 0.00 C ATOM 1290 C ARG A 80 30.889 -25.896 4.669 1.00 0.00 C ATOM 1291 O ARG A 80 30.194 -26.802 5.129 1.00 0.00 O ATOM 1292 CB ARG A 80 31.984 -24.801 6.634 1.00 0.00 C ATOM 1293 CG ARG A 80 33.417 -24.352 6.398 1.00 0.00 C ATOM 1294 CD ARG A 80 33.812 -23.229 7.344 1.00 0.00 C ATOM 1295 NE ARG A 80 35.214 -23.316 7.742 1.00 0.00 N ATOM 1296 CZ ARG A 80 35.820 -22.410 8.501 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.150 -21.355 8.944 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.100 -22.559 8.821 1.00 0.00 N ATOM 0 H ARG A 80 29.737 -23.802 6.849 1.00 0.00 H new ATOM 0 HA ARG A 80 31.524 -23.857 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.579 -24.260 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.982 -25.859 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.091 -25.198 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.529 -24.017 5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.631 -22.268 6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.180 -23.264 8.232 1.00 0.00 H new ATOM 0 HE ARG A 80 35.758 -24.116 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.166 -21.237 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.618 -20.661 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.619 -23.370 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 80 37.564 -21.863 9.404 1.00 0.00 H new ATOM 1312 N VAL A 81 31.522 -25.990 3.504 1.00 0.00 N ATOM 1313 CA VAL A 81 31.434 -27.190 2.681 1.00 0.00 C ATOM 1314 C VAL A 81 32.815 -27.780 2.420 1.00 0.00 C ATOM 1315 O VAL A 81 33.785 -27.049 2.213 1.00 0.00 O ATOM 1316 CB VAL A 81 30.750 -26.897 1.332 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.536 -28.184 0.551 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.431 -26.171 1.551 1.00 0.00 C ATOM 0 H VAL A 81 32.101 -25.249 3.109 1.00 0.00 H new ATOM 0 HA VAL A 81 30.833 -27.910 3.236 1.00 0.00 H new ATOM 0 HB VAL A 81 31.403 -26.249 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.052 -27.957 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.498 -28.660 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 81 29.904 -28.859 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.961 -25.972 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.770 -26.792 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.616 -25.229 2.066 1.00 0.00 H new ATOM 1328 N ASP A 82 32.898 -29.105 2.431 1.00 0.00 N ATOM 1329 CA ASP A 82 34.161 -29.795 2.194 1.00 0.00 C ATOM 1330 C ASP A 82 34.221 -30.346 0.773 1.00 0.00 C ATOM 1331 O ASP A 82 34.814 -31.397 0.529 1.00 0.00 O ATOM 1332 CB ASP A 82 34.345 -30.929 3.203 1.00 0.00 C ATOM 1333 CG ASP A 82 34.725 -30.423 4.580 1.00 0.00 C ATOM 1334 OD1 ASP A 82 35.125 -29.245 4.691 1.00 0.00 O ATOM 1335 OD2 ASP A 82 34.623 -31.205 5.548 1.00 0.00 O ATOM 0 H ASP A 82 32.105 -29.724 2.602 1.00 0.00 H new ATOM 0 HA ASP A 82 34.969 -29.074 2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.421 -31.503 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.117 -31.610 2.843 1.00 0.00 H new ATOM 1340 N ARG A 83 33.602 -29.631 -0.161 1.00 0.00 N ATOM 1341 CA ARG A 83 33.583 -30.050 -1.557 1.00 0.00 C ATOM 1342 C ARG A 83 34.244 -29.003 -2.448 1.00 0.00 C ATOM 1343 O ARG A 83 34.671 -27.950 -1.974 1.00 0.00 O ATOM 1344 CB ARG A 83 32.145 -30.293 -2.019 1.00 0.00 C ATOM 1345 CG ARG A 83 31.650 -31.706 -1.753 1.00 0.00 C ATOM 1346 CD ARG A 83 30.190 -31.714 -1.329 1.00 0.00 C ATOM 1347 NE ARG A 83 30.006 -32.304 -0.006 1.00 0.00 N ATOM 1348 CZ ARG A 83 30.012 -33.613 0.222 1.00 0.00 C ATOM 1349 NH1 ARG A 83 30.191 -34.463 -0.780 1.00 0.00 N ATOM 1350 NH2 ARG A 83 29.839 -34.074 1.454 1.00 0.00 N ATOM 0 H ARG A 83 33.107 -28.759 0.024 1.00 0.00 H new ATOM 0 HA ARG A 83 34.146 -30.980 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.486 -29.586 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.076 -30.088 -3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 83 31.772 -32.311 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.259 -32.165 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 83 29.808 -30.693 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 83 29.604 -32.272 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 83 29.865 -31.677 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 83 30.325 -34.112 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 83 30.195 -35.467 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 83 29.701 -33.423 2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.844 -35.079 1.628 1.00 0.00 H new ATOM 1364 N ARG A 84 34.326 -29.300 -3.741 1.00 0.00 N ATOM 1365 CA ARG A 84 34.937 -28.385 -4.698 1.00 0.00 C ATOM 1366 C ARG A 84 33.884 -27.486 -5.339 1.00 0.00 C ATOM 1367 O ARG A 84 32.912 -27.969 -5.922 1.00 0.00 O ATOM 1368 CB ARG A 84 35.682 -29.169 -5.780 1.00 0.00 C ATOM 1369 CG ARG A 84 36.181 -28.302 -6.925 1.00 0.00 C ATOM 1370 CD ARG A 84 37.678 -28.053 -6.823 1.00 0.00 C ATOM 1371 NE ARG A 84 38.268 -27.732 -8.120 1.00 0.00 N ATOM 1372 CZ ARG A 84 39.571 -27.561 -8.312 1.00 0.00 C ATOM 1373 NH1 ARG A 84 40.416 -27.681 -7.297 1.00 0.00 N ATOM 1374 NH2 ARG A 84 40.032 -27.270 -9.522 1.00 0.00 N ATOM 0 H ARG A 84 33.977 -30.167 -4.150 1.00 0.00 H new ATOM 0 HA ARG A 84 35.647 -27.757 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.531 -29.681 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.021 -29.939 -6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 84 35.955 -28.787 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 84 35.651 -27.349 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.863 -27.234 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.166 -28.937 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 84 37.645 -27.634 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 84 40.066 -27.905 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 84 41.416 -27.549 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 84 39.385 -27.177 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 84 41.033 -27.139 -9.668 1.00 0.00 H new ATOM 1388 N LEU A 85 34.083 -26.178 -5.226 1.00 0.00 N ATOM 1389 CA LEU A 85 33.151 -25.210 -5.795 1.00 0.00 C ATOM 1390 C LEU A 85 31.714 -25.552 -5.415 1.00 0.00 C ATOM 1391 O LEU A 85 30.791 -25.371 -6.210 1.00 0.00 O ATOM 1392 CB LEU A 85 33.293 -25.170 -7.317 1.00 0.00 C ATOM 1393 CG LEU A 85 34.264 -24.128 -7.873 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.624 -24.255 -7.204 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.395 -24.273 -9.382 1.00 0.00 C ATOM 0 H LEU A 85 34.881 -25.763 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 85 33.391 -24.228 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.613 -26.154 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.309 -24.988 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 85 33.866 -23.137 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.302 -23.505 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.517 -24.101 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.029 -25.250 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.090 -23.523 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.770 -25.268 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.420 -24.131 -9.847 1.00 0.00 H new ATOM 1407 N VAL A 86 31.530 -26.045 -4.195 1.00 0.00 N ATOM 1408 CA VAL A 86 30.205 -26.408 -3.708 1.00 0.00 C ATOM 1409 C VAL A 86 29.910 -25.744 -2.368 1.00 0.00 C ATOM 1410 O VAL A 86 30.565 -26.028 -1.365 1.00 0.00 O ATOM 1411 CB VAL A 86 30.062 -27.934 -3.554 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.838 -28.275 -2.718 1.00 0.00 C ATOM 1413 CG2 VAL A 86 29.988 -28.602 -4.919 1.00 0.00 C ATOM 0 H VAL A 86 32.283 -26.202 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 86 29.489 -26.056 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 86 30.943 -28.313 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.754 -29.357 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.937 -27.828 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 86 27.944 -27.884 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 86 29.887 -29.680 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.126 -28.219 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 86 30.898 -28.386 -5.479 1.00 0.00 H new ATOM 1423 N TYR A 87 28.920 -24.858 -2.358 1.00 0.00 N ATOM 1424 CA TYR A 87 28.539 -24.151 -1.141 1.00 0.00 C ATOM 1425 C TYR A 87 27.119 -24.515 -0.721 1.00 0.00 C ATOM 1426 O TYR A 87 26.389 -25.175 -1.462 1.00 0.00 O ATOM 1427 CB TYR A 87 28.650 -22.640 -1.348 1.00 0.00 C ATOM 1428 CG TYR A 87 30.047 -22.177 -1.696 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.661 -22.582 -2.875 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.753 -21.336 -0.845 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.938 -22.162 -3.196 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.029 -20.910 -1.158 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.617 -21.326 -2.335 1.00 0.00 C ATOM 1434 OH TYR A 87 33.889 -20.905 -2.650 1.00 0.00 O ATOM 0 H TYR A 87 28.367 -24.612 -3.179 1.00 0.00 H new ATOM 0 HA TYR A 87 29.222 -24.453 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.968 -22.340 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.324 -22.133 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 87 30.131 -23.236 -3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.296 -21.010 0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.401 -22.487 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.563 -20.255 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 87 34.226 -20.320 -1.939 1.00 0.00 H new ATOM 1444 N LYS A 88 26.731 -24.079 0.473 1.00 0.00 N ATOM 1445 CA LYS A 88 25.398 -24.356 0.993 1.00 0.00 C ATOM 1446 C LYS A 88 24.922 -23.225 1.899 1.00 0.00 C ATOM 1447 O LYS A 88 25.637 -22.798 2.805 1.00 0.00 O ATOM 1448 CB LYS A 88 25.394 -25.677 1.766 1.00 0.00 C ATOM 1449 CG LYS A 88 24.073 -25.976 2.453 1.00 0.00 C ATOM 1450 CD LYS A 88 24.265 -26.869 3.668 1.00 0.00 C ATOM 1451 CE LYS A 88 23.118 -27.856 3.821 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.579 -27.868 5.209 1.00 0.00 N ATOM 0 H LYS A 88 27.322 -23.532 1.099 1.00 0.00 H new ATOM 0 HA LYS A 88 24.715 -24.434 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.629 -26.490 1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.186 -25.653 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.601 -25.042 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.397 -26.460 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.205 -27.413 3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.339 -26.254 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.321 -27.598 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 88 23.461 -28.856 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.799 -28.553 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.333 -28.139 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.228 -26.920 5.453 1.00 0.00 H new ATOM 1466 N PHE A 89 23.709 -22.743 1.648 1.00 0.00 N ATOM 1467 CA PHE A 89 23.137 -21.661 2.441 1.00 0.00 C ATOM 1468 C PHE A 89 22.723 -22.160 3.823 1.00 0.00 C ATOM 1469 O PHE A 89 22.035 -23.172 3.949 1.00 0.00 O ATOM 1470 CB PHE A 89 21.929 -21.057 1.722 1.00 0.00 C ATOM 1471 CG PHE A 89 22.274 -20.409 0.411 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.702 -19.092 0.366 1.00 0.00 C ATOM 1473 CD2 PHE A 89 22.170 -21.116 -0.775 1.00 0.00 C ATOM 1474 CE1 PHE A 89 23.021 -18.492 -0.838 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.488 -20.523 -1.982 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.913 -19.209 -2.014 1.00 0.00 C ATOM 0 H PHE A 89 23.103 -23.085 0.902 1.00 0.00 H new ATOM 0 HA PHE A 89 23.900 -20.892 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.191 -21.840 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.462 -20.317 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.787 -18.527 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.836 -22.143 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.354 -17.465 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 89 22.404 -21.086 -2.900 1.00 0.00 H new ATOM 0 HZ PHE A 89 23.160 -18.743 -2.956 1.00 0.00 H new ATOM 1486 N GLY A 90 23.149 -21.441 4.857 1.00 0.00 N ATOM 1487 CA GLY A 90 22.814 -21.825 6.215 1.00 0.00 C ATOM 1488 C GLY A 90 21.372 -21.517 6.566 1.00 0.00 C ATOM 1489 O GLY A 90 20.527 -21.371 5.683 1.00 0.00 O ATOM 0 H GLY A 90 23.720 -20.600 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.996 -22.892 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.473 -21.304 6.910 1.00 0.00 H new ATOM 1493 N LYS A 91 21.087 -21.420 7.861 1.00 0.00 N ATOM 1494 CA LYS A 91 19.737 -21.128 8.328 1.00 0.00 C ATOM 1495 C LYS A 91 19.469 -19.627 8.313 1.00 0.00 C ATOM 1496 O LYS A 91 18.341 -19.191 8.085 1.00 0.00 O ATOM 1497 CB LYS A 91 19.535 -21.679 9.741 1.00 0.00 C ATOM 1498 CG LYS A 91 20.501 -22.793 10.104 1.00 0.00 C ATOM 1499 CD LYS A 91 19.808 -23.903 10.877 1.00 0.00 C ATOM 1500 CE LYS A 91 20.682 -24.424 12.008 1.00 0.00 C ATOM 1501 NZ LYS A 91 20.348 -23.780 13.309 1.00 0.00 N ATOM 0 H LYS A 91 21.774 -21.540 8.606 1.00 0.00 H new ATOM 0 HA LYS A 91 19.032 -21.611 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.646 -20.866 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.514 -22.050 9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.943 -23.202 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.317 -22.387 10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.867 -23.532 11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.562 -24.721 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.558 -25.503 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 91 21.730 -24.241 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.965 -24.162 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.490 -22.752 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.355 -23.976 13.548 1.00 0.00 H new ATOM 1515 N ASN A 92 20.513 -18.841 8.555 1.00 0.00 N ATOM 1516 CA ASN A 92 20.389 -17.388 8.568 1.00 0.00 C ATOM 1517 C ASN A 92 19.845 -16.876 7.237 1.00 0.00 C ATOM 1518 O ASN A 92 19.093 -15.904 7.195 1.00 0.00 O ATOM 1519 CB ASN A 92 21.745 -16.742 8.859 1.00 0.00 C ATOM 1520 CG ASN A 92 21.900 -16.355 10.317 1.00 0.00 C ATOM 1521 OD1 ASN A 92 21.626 -15.217 10.701 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.340 -17.302 11.137 1.00 0.00 N ATOM 0 H ASN A 92 21.454 -19.186 8.745 1.00 0.00 H new ATOM 0 HA ASN A 92 19.687 -17.116 9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.541 -17.434 8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.863 -15.855 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.463 -17.100 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 92 22.555 -18.231 10.775 1.00 0.00 H new ATOM 1529 N ALA A 93 20.232 -17.540 6.152 1.00 0.00 N ATOM 1530 CA ALA A 93 19.782 -17.154 4.820 1.00 0.00 C ATOM 1531 C ALA A 93 18.344 -17.599 4.577 1.00 0.00 C ATOM 1532 O ALA A 93 18.078 -18.780 4.354 1.00 0.00 O ATOM 1533 CB ALA A 93 20.704 -17.740 3.761 1.00 0.00 C ATOM 0 H ALA A 93 20.856 -18.347 6.170 1.00 0.00 H new ATOM 0 HA ALA A 93 19.815 -16.067 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.356 -17.444 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.717 -17.369 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.700 -18.827 3.836 1.00 0.00 H new ATOM 1539 N HIS A 94 17.418 -16.645 4.622 1.00 0.00 N ATOM 1540 CA HIS A 94 16.006 -16.939 4.407 1.00 0.00 C ATOM 1541 C HIS A 94 15.563 -16.489 3.018 1.00 0.00 C ATOM 1542 O HIS A 94 15.663 -15.312 2.674 1.00 0.00 O ATOM 1543 CB HIS A 94 15.152 -16.254 5.474 1.00 0.00 C ATOM 1544 CG HIS A 94 15.398 -14.781 5.583 1.00 0.00 C ATOM 1545 ND1 HIS A 94 14.647 -13.841 4.908 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.316 -14.086 6.294 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.095 -12.632 5.198 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.107 -12.753 6.038 1.00 0.00 N ATOM 0 H HIS A 94 17.621 -15.662 4.805 1.00 0.00 H new ATOM 0 HA HIS A 94 15.870 -18.018 4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.099 -16.422 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.349 -16.719 6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.073 -14.502 6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.701 -11.703 4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.646 -11.982 6.432 1.00 0.00 H new ATOM 1556 N GLY A 95 15.074 -17.436 2.222 1.00 0.00 N ATOM 1557 CA GLY A 95 14.624 -17.117 0.880 1.00 0.00 C ATOM 1558 C GLY A 95 14.587 -18.334 -0.023 1.00 0.00 C ATOM 1559 O GLY A 95 13.692 -18.468 -0.858 1.00 0.00 O ATOM 0 H GLY A 95 14.982 -18.418 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.629 -16.674 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.286 -16.367 0.447 1.00 0.00 H new ATOM 1563 N TRP A 96 15.561 -19.221 0.142 1.00 0.00 N ATOM 1564 CA TRP A 96 15.637 -20.432 -0.667 1.00 0.00 C ATOM 1565 C TRP A 96 14.796 -21.547 -0.057 1.00 0.00 C ATOM 1566 O TRP A 96 13.953 -22.140 -0.731 1.00 0.00 O ATOM 1567 CB TRP A 96 17.090 -20.888 -0.804 1.00 0.00 C ATOM 1568 CG TRP A 96 17.744 -21.190 0.511 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.363 -20.300 1.342 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.846 -22.470 1.144 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.843 -20.949 2.453 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.538 -22.281 2.356 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.418 -23.757 0.805 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.811 -23.332 3.228 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.691 -24.798 1.672 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.381 -24.581 2.872 1.00 0.00 C ATOM 0 H TRP A 96 16.309 -19.125 0.829 1.00 0.00 H new ATOM 0 HA TRP A 96 15.241 -20.204 -1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 96 17.126 -21.778 -1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.660 -20.113 -1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.461 -19.241 1.153 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.345 -20.510 3.225 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.884 -23.934 -0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.344 -23.167 4.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.367 -25.797 1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.577 -25.416 3.529 1.00 0.00 H new ATOM 1587 N GLN A 97 15.030 -21.828 1.221 1.00 0.00 N ATOM 1588 CA GLN A 97 14.293 -22.874 1.920 1.00 0.00 C ATOM 1589 C GLN A 97 12.789 -22.672 1.771 1.00 0.00 C ATOM 1590 O GLN A 97 12.314 -21.544 1.645 1.00 0.00 O ATOM 1591 CB GLN A 97 14.673 -22.892 3.402 1.00 0.00 C ATOM 1592 CG GLN A 97 13.712 -22.113 4.286 1.00 0.00 C ATOM 1593 CD GLN A 97 14.390 -21.525 5.508 1.00 0.00 C ATOM 1594 OE1 GLN A 97 13.906 -21.670 6.630 1.00 0.00 O ATOM 1595 NE2 GLN A 97 15.517 -20.856 5.295 1.00 0.00 N ATOM 0 H GLN A 97 15.724 -21.346 1.793 1.00 0.00 H new ATOM 0 HA GLN A 97 14.559 -23.832 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.713 -23.926 3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.675 -22.479 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.259 -21.310 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.903 -22.771 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.882 -20.761 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.018 -20.438 6.079 1.00 0.00 H new