USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 770 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 27 SER OG : rot -30:sc= 0.941 USER MOD Set 1.2: A 61 THR OG1 : rot 68:sc= 0.997 USER MOD Set 2.1: A 48 THR OG1 : rot 119:sc= 1.2 USER MOD Set 2.2: A 49 THR OG1 : rot 122:sc= 1.24 USER MOD Set 3.1: A 26 MET CE :methyl -134:sc= -4.28! (180deg=-2.52!) USER MOD Set 3.2: A 80 CYS SG : rot -49:sc= -0.614 USER MOD Set 3.3: A 88 THR OG1 : rot 80:sc= -2.28! USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 0.927 (180deg=-0.702) USER MOD Single : A 18 SER OG : rot -110:sc= 0.426 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.44) USER MOD Single : A 32 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.3) USER MOD Single : A 33 CYS SG : rot 71:sc= 0.627 USER MOD Single : A 35 ASN : amide:sc= 2.26 K(o=2.3,f=-6.9!) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.597 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0179) USER MOD Single : A 42 CYS SG : rot 83:sc= -4.38! USER MOD Single : A 43 LYS NZ :NH3+ 168:sc=-0.00666 (180deg=-0.163) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.06) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc=-0.00768 X(o=-0.0077,f=-0.0071) USER MOD Single : A 65 MET CE :methyl -114:sc= 0 (180deg=-0.0739) USER MOD Single : A 66 ASN : amide:sc= 1.26 K(o=1.3,f=-0.0089) USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0405 (180deg=-0.331) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= -0.953 (180deg=-3.08!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -103:sc= 1.25 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -4.96! C(o=-5!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.27) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0.336 (180deg=0.281) USER MOD Single : A 89 LYS NZ :NH3+ -155:sc= -0.106 (180deg=-0.52) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.0996 (180deg=-0.511) USER MOD Single : A 95 TYR OH : rot 100:sc= -0.0464 USER MOD Single : A 96 MET CE :methyl 165:sc= -1.42 (180deg=-1.81!) USER MOD Single : A 97 GLN : amide:sc= 0.00435 K(o=0.0043,f=-4.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 178:sc= -0.851! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.157 -13.467 7.521 1.00 0.00 N ATOM 104 CA LYS A 17 3.428 -13.055 6.989 1.00 0.00 C ATOM 105 C LYS A 17 3.288 -12.275 5.692 1.00 0.00 C ATOM 106 O LYS A 17 4.034 -11.327 5.457 1.00 0.00 O ATOM 107 CB LYS A 17 4.350 -14.267 6.805 1.00 0.00 C ATOM 108 CG LYS A 17 5.237 -14.558 8.010 1.00 0.00 C ATOM 109 CD LYS A 17 4.448 -14.687 9.304 1.00 0.00 C ATOM 110 CE LYS A 17 5.367 -14.675 10.508 1.00 0.00 C ATOM 111 NZ LYS A 17 6.275 -13.502 10.488 1.00 0.00 N ATOM 0 HA LYS A 17 3.879 -12.378 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.741 -15.146 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.982 -14.101 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.791 -15.480 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.972 -13.760 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.733 -13.868 9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.872 -15.612 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.772 -14.660 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.956 -15.592 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.679 -13.359 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.042 -13.669 9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.741 -12.654 10.208 1.00 0.00 H new ATOM 125 N SER A 18 2.302 -12.627 4.867 1.00 0.00 N ATOM 126 CA SER A 18 2.151 -11.970 3.591 1.00 0.00 C ATOM 127 C SER A 18 1.722 -10.534 3.795 1.00 0.00 C ATOM 128 O SER A 18 2.125 -9.690 3.067 1.00 0.00 O ATOM 129 CB SER A 18 1.173 -12.710 2.647 1.00 0.00 C ATOM 130 OG SER A 18 1.324 -12.279 1.290 1.00 0.00 O ATOM 0 H SER A 18 1.612 -13.352 5.064 1.00 0.00 H new ATOM 0 HA SER A 18 3.124 -11.989 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.348 -13.784 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.148 -12.534 2.973 1.00 0.00 H new ATOM 0 HG SER A 18 0.534 -11.766 1.020 1.00 0.00 H new ATOM 136 N LYS A 19 0.944 -10.258 4.843 1.00 0.00 N ATOM 137 CA LYS A 19 0.505 -8.901 5.110 1.00 0.00 C ATOM 138 C LYS A 19 1.676 -8.054 5.539 1.00 0.00 C ATOM 139 O LYS A 19 1.709 -6.885 5.255 1.00 0.00 O ATOM 140 CB LYS A 19 -0.632 -8.835 6.162 1.00 0.00 C ATOM 141 CG LYS A 19 -1.836 -9.740 5.841 1.00 0.00 C ATOM 142 CD LYS A 19 -3.151 -9.324 6.509 1.00 0.00 C ATOM 143 CE LYS A 19 -3.025 -9.192 7.997 1.00 0.00 C ATOM 144 NZ LYS A 19 -4.342 -9.002 8.654 1.00 0.00 N ATOM 0 H LYS A 19 0.611 -10.953 5.511 1.00 0.00 H new ATOM 0 HA LYS A 19 0.093 -8.507 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.229 -9.115 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.977 -7.804 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.983 -9.755 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.597 -10.759 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.482 -8.374 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.921 -10.060 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.544 -10.083 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.378 -8.347 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.208 -8.915 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.790 -8.137 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.952 -9.820 8.452 1.00 0.00 H new ATOM 158 N GLU A 20 2.654 -8.678 6.191 1.00 0.00 N ATOM 159 CA GLU A 20 3.862 -7.975 6.640 1.00 0.00 C ATOM 160 C GLU A 20 4.672 -7.613 5.431 1.00 0.00 C ATOM 161 O GLU A 20 4.983 -6.442 5.210 1.00 0.00 O ATOM 162 CB GLU A 20 4.721 -8.848 7.538 1.00 0.00 C ATOM 163 CG GLU A 20 3.942 -9.569 8.575 1.00 0.00 C ATOM 164 CD GLU A 20 4.802 -10.410 9.503 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.397 -11.403 9.060 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.894 -10.082 10.704 1.00 0.00 O ATOM 0 H GLU A 20 2.637 -9.671 6.423 1.00 0.00 H new ATOM 0 HA GLU A 20 3.555 -7.094 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.255 -9.574 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.473 -8.227 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.383 -8.845 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.211 -10.213 8.087 1.00 0.00 H new ATOM 173 N VAL A 21 4.948 -8.630 4.619 1.00 0.00 N ATOM 174 CA VAL A 21 5.732 -8.480 3.419 1.00 0.00 C ATOM 175 C VAL A 21 5.044 -7.497 2.512 1.00 0.00 C ATOM 176 O VAL A 21 5.659 -6.548 2.064 1.00 0.00 O ATOM 177 CB VAL A 21 5.929 -9.834 2.680 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.750 -9.657 1.408 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.595 -10.858 3.588 1.00 0.00 C ATOM 0 H VAL A 21 4.627 -9.584 4.786 1.00 0.00 H new ATOM 0 HA VAL A 21 6.721 -8.117 3.697 1.00 0.00 H new ATOM 0 HB VAL A 21 4.940 -10.200 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.870 -10.622 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.237 -8.968 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.731 -9.255 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.721 -11.796 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.570 -10.486 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.971 -11.026 4.466 1.00 0.00 H new ATOM 189 N PHE A 22 3.742 -7.658 2.379 1.00 0.00 N ATOM 190 CA PHE A 22 2.935 -6.822 1.506 1.00 0.00 C ATOM 191 C PHE A 22 2.945 -5.389 1.963 1.00 0.00 C ATOM 192 O PHE A 22 3.231 -4.485 1.176 1.00 0.00 O ATOM 193 CB PHE A 22 1.488 -7.347 1.426 1.00 0.00 C ATOM 194 CG PHE A 22 0.482 -6.306 1.020 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.452 -5.785 -0.260 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.409 -5.821 1.948 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.452 -4.800 -0.591 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.304 -4.852 1.617 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.333 -4.335 0.357 1.00 0.00 C ATOM 0 H PHE A 22 3.210 -8.374 2.874 1.00 0.00 H new ATOM 0 HA PHE A 22 3.375 -6.865 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.450 -8.171 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.205 -7.752 2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.142 -6.153 -1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.398 -6.215 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.469 -4.394 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.998 -4.489 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.045 -3.563 0.104 1.00 0.00 H new ATOM 209 N ARG A 23 2.636 -5.174 3.229 1.00 0.00 N ATOM 210 CA ARG A 23 2.609 -3.827 3.747 1.00 0.00 C ATOM 211 C ARG A 23 3.983 -3.167 3.632 1.00 0.00 C ATOM 212 O ARG A 23 4.068 -1.991 3.446 1.00 0.00 O ATOM 213 CB ARG A 23 1.998 -3.747 5.165 1.00 0.00 C ATOM 214 CG ARG A 23 2.857 -4.245 6.323 1.00 0.00 C ATOM 215 CD ARG A 23 3.612 -3.109 6.996 1.00 0.00 C ATOM 216 NE ARG A 23 4.282 -3.545 8.232 1.00 0.00 N ATOM 217 CZ ARG A 23 4.684 -2.726 9.220 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.557 -1.410 9.096 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.216 -3.233 10.324 1.00 0.00 N ATOM 0 H ARG A 23 2.405 -5.903 3.904 1.00 0.00 H new ATOM 0 HA ARG A 23 1.933 -3.245 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.736 -2.708 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.068 -4.316 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.224 -4.745 7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.567 -4.986 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.353 -2.707 6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.919 -2.300 7.226 1.00 0.00 H new ATOM 0 HE ARG A 23 4.454 -4.544 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.152 -1.014 8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.864 -0.795 9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.320 -4.243 10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.521 -2.613 11.074 1.00 0.00 H new ATOM 233 N LYS A 24 5.048 -3.953 3.682 1.00 0.00 N ATOM 234 CA LYS A 24 6.385 -3.410 3.496 1.00 0.00 C ATOM 235 C LYS A 24 6.624 -2.983 2.051 1.00 0.00 C ATOM 236 O LYS A 24 7.054 -1.851 1.799 1.00 0.00 O ATOM 237 CB LYS A 24 7.451 -4.402 3.935 1.00 0.00 C ATOM 238 CG LYS A 24 7.431 -4.668 5.416 1.00 0.00 C ATOM 239 CD LYS A 24 8.473 -5.676 5.810 1.00 0.00 C ATOM 240 CE LYS A 24 8.377 -5.984 7.281 1.00 0.00 C ATOM 241 NZ LYS A 24 9.402 -6.939 7.718 1.00 0.00 N ATOM 0 H LYS A 24 5.014 -4.959 3.848 1.00 0.00 H new ATOM 0 HA LYS A 24 6.458 -2.524 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.308 -5.341 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.433 -4.021 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.602 -3.737 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.445 -5.030 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.341 -6.590 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.466 -5.292 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.478 -5.060 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.389 -6.388 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.296 -7.120 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.291 -7.831 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.346 -6.544 7.533 1.00 0.00 H new ATOM 255 N GLU A 25 6.289 -3.860 1.093 1.00 0.00 N ATOM 256 CA GLU A 25 6.494 -3.565 -0.313 1.00 0.00 C ATOM 257 C GLU A 25 5.579 -2.462 -0.792 1.00 0.00 C ATOM 258 O GLU A 25 5.941 -1.656 -1.654 1.00 0.00 O ATOM 259 CB GLU A 25 6.409 -4.825 -1.196 1.00 0.00 C ATOM 260 CG GLU A 25 5.386 -5.858 -0.754 1.00 0.00 C ATOM 261 CD GLU A 25 5.421 -7.130 -1.555 1.00 0.00 C ATOM 262 OE1 GLU A 25 6.534 -7.643 -1.809 1.00 0.00 O ATOM 263 OE2 GLU A 25 4.358 -7.638 -1.958 1.00 0.00 O ATOM 0 H GLU A 25 5.876 -4.775 1.276 1.00 0.00 H new ATOM 0 HA GLU A 25 7.514 -3.195 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.175 -4.519 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.391 -5.298 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.555 -6.096 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.389 -5.422 -0.826 1.00 0.00 H new ATOM 270 N MET A 26 4.424 -2.397 -0.221 1.00 0.00 N ATOM 271 CA MET A 26 3.513 -1.354 -0.555 1.00 0.00 C ATOM 272 C MET A 26 3.871 -0.042 0.130 1.00 0.00 C ATOM 273 O MET A 26 3.772 0.987 -0.468 1.00 0.00 O ATOM 274 CB MET A 26 2.105 -1.775 -0.266 1.00 0.00 C ATOM 275 CG MET A 26 1.061 -0.731 -0.662 1.00 0.00 C ATOM 276 SD MET A 26 1.420 0.119 -2.240 1.00 0.00 S ATOM 277 CE MET A 26 0.945 -1.011 -3.531 1.00 0.00 C ATOM 0 H MET A 26 4.087 -3.055 0.481 1.00 0.00 H new ATOM 0 HA MET A 26 3.593 -1.169 -1.626 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.896 -2.704 -0.796 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.009 -1.987 0.799 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.087 -1.216 -0.736 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.987 0.013 0.131 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.730 -1.052 -4.286 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.796 -2.005 -3.108 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.018 -0.669 -3.991 1.00 0.00 H new ATOM 287 N SER A 27 4.330 -0.093 1.370 1.00 0.00 N ATOM 288 CA SER A 27 4.765 1.104 2.035 1.00 0.00 C ATOM 289 C SER A 27 5.908 1.703 1.286 1.00 0.00 C ATOM 290 O SER A 27 5.954 2.891 1.116 1.00 0.00 O ATOM 291 CB SER A 27 5.124 0.902 3.521 1.00 0.00 C ATOM 292 OG SER A 27 3.958 0.679 4.309 1.00 0.00 O ATOM 0 H SER A 27 4.407 -0.946 1.924 1.00 0.00 H new ATOM 0 HA SER A 27 3.917 1.789 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.801 0.054 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.654 1.779 3.892 1.00 0.00 H new ATOM 0 HG SER A 27 3.197 1.147 3.907 1.00 0.00 H new ATOM 298 N GLN A 28 6.786 0.871 0.754 1.00 0.00 N ATOM 299 CA GLN A 28 7.925 1.400 0.023 1.00 0.00 C ATOM 300 C GLN A 28 7.517 1.954 -1.322 1.00 0.00 C ATOM 301 O GLN A 28 8.003 3.002 -1.756 1.00 0.00 O ATOM 302 CB GLN A 28 9.029 0.381 -0.130 1.00 0.00 C ATOM 303 CG GLN A 28 8.658 -0.891 -0.797 1.00 0.00 C ATOM 304 CD GLN A 28 9.797 -1.870 -0.880 1.00 0.00 C ATOM 305 OE1 GLN A 28 9.998 -2.687 0.017 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.547 -1.804 -1.940 1.00 0.00 N ATOM 0 H GLN A 28 6.737 -0.146 0.811 1.00 0.00 H new ATOM 0 HA GLN A 28 8.320 2.222 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.842 0.839 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.419 0.147 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.831 -1.350 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.299 -0.675 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.349 -1.112 -2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.334 -2.444 -2.049 1.00 0.00 H new ATOM 315 N PHE A 29 6.681 1.220 -1.985 1.00 0.00 N ATOM 316 CA PHE A 29 6.062 1.655 -3.244 1.00 0.00 C ATOM 317 C PHE A 29 5.322 2.995 -3.048 1.00 0.00 C ATOM 318 O PHE A 29 5.516 3.931 -3.820 1.00 0.00 O ATOM 319 CB PHE A 29 5.109 0.571 -3.783 1.00 0.00 C ATOM 320 CG PHE A 29 4.366 0.944 -5.033 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.958 0.803 -6.269 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.064 1.426 -4.966 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.267 1.133 -7.411 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.376 1.749 -6.108 1.00 0.00 C ATOM 325 CZ PHE A 29 2.975 1.604 -7.321 1.00 0.00 C ATOM 0 H PHE A 29 6.391 0.290 -1.684 1.00 0.00 H new ATOM 0 HA PHE A 29 6.849 1.808 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.685 -0.334 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.384 0.327 -3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.970 0.432 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.589 1.548 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.736 1.023 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.363 2.117 -6.044 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.434 1.860 -8.220 1.00 0.00 H new ATOM 335 N ILE A 30 4.497 3.071 -2.015 1.00 0.00 N ATOM 336 CA ILE A 30 3.768 4.283 -1.672 1.00 0.00 C ATOM 337 C ILE A 30 4.720 5.387 -1.315 1.00 0.00 C ATOM 338 O ILE A 30 4.545 6.502 -1.760 1.00 0.00 O ATOM 339 CB ILE A 30 2.741 4.060 -0.536 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.610 3.184 -1.048 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.197 5.392 -0.018 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.649 2.729 0.011 1.00 0.00 C ATOM 0 H ILE A 30 4.313 2.289 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 30 3.201 4.573 -2.557 1.00 0.00 H new ATOM 0 HB ILE A 30 3.237 3.561 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.058 3.734 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.038 2.307 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.478 5.206 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.019 5.995 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.706 5.926 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.125 2.110 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.184 2.149 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.189 3.598 0.482 1.00 0.00 H new ATOM 354 N VAL A 31 5.722 5.076 -0.509 1.00 0.00 N ATOM 355 CA VAL A 31 6.781 6.038 -0.203 1.00 0.00 C ATOM 356 C VAL A 31 7.360 6.617 -1.494 1.00 0.00 C ATOM 357 O VAL A 31 7.453 7.831 -1.646 1.00 0.00 O ATOM 358 CB VAL A 31 7.897 5.389 0.684 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.208 6.179 0.662 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.403 5.295 2.125 1.00 0.00 C ATOM 0 H VAL A 31 5.829 4.170 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 31 6.347 6.856 0.372 1.00 0.00 H new ATOM 0 HB VAL A 31 8.101 4.401 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.943 5.681 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.584 6.231 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.031 7.188 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.177 4.844 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.175 6.294 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.504 4.680 2.162 1.00 0.00 H new ATOM 370 N GLN A 32 7.665 5.747 -2.437 1.00 0.00 N ATOM 371 CA GLN A 32 8.207 6.131 -3.733 1.00 0.00 C ATOM 372 C GLN A 32 7.213 7.050 -4.459 1.00 0.00 C ATOM 373 O GLN A 32 7.586 8.077 -5.023 1.00 0.00 O ATOM 374 CB GLN A 32 8.475 4.841 -4.537 1.00 0.00 C ATOM 375 CG GLN A 32 9.333 4.990 -5.783 1.00 0.00 C ATOM 376 CD GLN A 32 8.626 5.623 -6.963 1.00 0.00 C ATOM 377 OE1 GLN A 32 7.422 5.468 -7.139 1.00 0.00 O ATOM 378 NE2 GLN A 32 9.355 6.341 -7.761 1.00 0.00 N ATOM 0 H GLN A 32 7.543 4.740 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 32 9.140 6.684 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.954 4.119 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.516 4.416 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.208 5.591 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.695 4.005 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.354 6.447 -7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.929 6.799 -8.567 1.00 0.00 H new ATOM 387 N CYS A 33 5.959 6.668 -4.402 1.00 0.00 N ATOM 388 CA CYS A 33 4.874 7.401 -5.011 1.00 0.00 C ATOM 389 C CYS A 33 4.660 8.764 -4.365 1.00 0.00 C ATOM 390 O CYS A 33 4.317 9.712 -5.040 1.00 0.00 O ATOM 391 CB CYS A 33 3.600 6.581 -4.925 1.00 0.00 C ATOM 392 SG CYS A 33 3.658 5.045 -5.864 1.00 0.00 S ATOM 0 H CYS A 33 5.658 5.821 -3.921 1.00 0.00 H new ATOM 0 HA CYS A 33 5.138 7.578 -6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.398 6.349 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.766 7.184 -5.284 1.00 0.00 H new ATOM 0 HG CYS A 33 4.456 4.205 -5.274 1.00 0.00 H new ATOM 398 N LEU A 34 4.842 8.838 -3.063 1.00 0.00 N ATOM 399 CA LEU A 34 4.696 10.081 -2.317 1.00 0.00 C ATOM 400 C LEU A 34 5.926 10.969 -2.426 1.00 0.00 C ATOM 401 O LEU A 34 5.859 12.161 -2.128 1.00 0.00 O ATOM 402 CB LEU A 34 4.376 9.825 -0.855 1.00 0.00 C ATOM 403 CG LEU A 34 3.078 9.095 -0.557 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.885 8.994 0.930 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.899 9.800 -1.183 1.00 0.00 C ATOM 0 H LEU A 34 5.097 8.037 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 34 3.857 10.607 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.196 9.251 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.352 10.785 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 34 3.140 8.095 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.953 8.470 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.718 8.444 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.844 9.995 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.984 9.254 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.827 10.812 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.033 9.843 -2.264 1.00 0.00 H new ATOM 417 N ASN A 35 7.067 10.379 -2.784 1.00 0.00 N ATOM 418 CA ASN A 35 8.287 11.138 -3.062 1.00 0.00 C ATOM 419 C ASN A 35 8.113 12.436 -3.841 1.00 0.00 C ATOM 420 O ASN A 35 8.576 13.459 -3.380 1.00 0.00 O ATOM 421 CB ASN A 35 9.370 10.284 -3.656 1.00 0.00 C ATOM 422 CG ASN A 35 10.253 9.942 -2.562 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.290 10.566 -2.361 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.798 9.078 -1.759 1.00 0.00 N ATOM 0 H ASN A 35 7.172 9.370 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 35 8.601 11.464 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.953 9.388 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.907 10.822 -4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.299 8.871 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.930 8.588 -1.975 1.00 0.00 H new ATOM 431 N PRO A 36 7.420 12.453 -5.007 1.00 0.00 N ATOM 432 CA PRO A 36 7.223 13.697 -5.762 1.00 0.00 C ATOM 433 C PRO A 36 6.334 14.701 -5.022 1.00 0.00 C ATOM 434 O PRO A 36 6.376 15.897 -5.295 1.00 0.00 O ATOM 435 CB PRO A 36 6.553 13.243 -7.068 1.00 0.00 C ATOM 436 CG PRO A 36 5.948 11.923 -6.754 1.00 0.00 C ATOM 437 CD PRO A 36 6.819 11.297 -5.708 1.00 0.00 C ATOM 0 HA PRO A 36 8.167 14.218 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.795 13.957 -7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.280 13.161 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.927 12.040 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.899 11.296 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.240 10.674 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.582 10.659 -6.153 1.00 0.00 H new ATOM 445 N TYR A 37 5.589 14.227 -4.051 1.00 0.00 N ATOM 446 CA TYR A 37 4.656 15.067 -3.342 1.00 0.00 C ATOM 447 C TYR A 37 5.340 15.816 -2.233 1.00 0.00 C ATOM 448 O TYR A 37 4.910 16.886 -1.846 1.00 0.00 O ATOM 449 CB TYR A 37 3.479 14.261 -2.791 1.00 0.00 C ATOM 450 CG TYR A 37 2.610 13.632 -3.850 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.963 12.443 -4.430 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.429 14.231 -4.257 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.188 11.856 -5.389 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.634 13.660 -5.217 1.00 0.00 C ATOM 455 CZ TYR A 37 1.020 12.466 -5.786 1.00 0.00 C ATOM 456 OH TYR A 37 0.243 11.883 -6.760 1.00 0.00 O ATOM 0 H TYR A 37 5.612 13.258 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 37 4.263 15.789 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.864 13.476 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.863 14.915 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.877 11.957 -4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.129 15.167 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.490 10.919 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.284 14.140 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 37 0.351 10.910 -6.725 1.00 0.00 H new ATOM 466 N ARG A 38 6.425 15.275 -1.734 1.00 0.00 N ATOM 467 CA ARG A 38 7.132 15.926 -0.634 1.00 0.00 C ATOM 468 C ARG A 38 8.140 16.930 -1.158 1.00 0.00 C ATOM 469 O ARG A 38 8.799 17.627 -0.393 1.00 0.00 O ATOM 470 CB ARG A 38 7.825 14.909 0.266 1.00 0.00 C ATOM 471 CG ARG A 38 8.908 14.113 -0.427 1.00 0.00 C ATOM 472 CD ARG A 38 9.615 13.192 0.536 1.00 0.00 C ATOM 473 NE ARG A 38 10.695 12.427 -0.116 1.00 0.00 N ATOM 474 CZ ARG A 38 11.986 12.382 0.285 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.413 13.121 1.306 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.843 11.606 -0.359 1.00 0.00 N ATOM 0 H ARG A 38 6.840 14.401 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 38 6.387 16.454 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.260 15.430 1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.078 14.220 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.471 13.529 -1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.630 14.794 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.031 13.777 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.893 12.500 0.971 1.00 0.00 H new ATOM 0 HE ARG A 38 10.446 11.884 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.763 13.733 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.390 13.075 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.528 11.047 -1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.818 11.567 -0.062 1.00 0.00 H new ATOM 490 N LYS A 39 8.263 16.990 -2.450 1.00 0.00 N ATOM 491 CA LYS A 39 9.185 17.899 -3.077 1.00 0.00 C ATOM 492 C LYS A 39 8.570 19.287 -3.103 1.00 0.00 C ATOM 493 O LYS A 39 7.370 19.421 -3.299 1.00 0.00 O ATOM 494 CB LYS A 39 9.523 17.431 -4.497 1.00 0.00 C ATOM 495 CG LYS A 39 10.034 15.996 -4.567 1.00 0.00 C ATOM 496 CD LYS A 39 11.175 15.762 -3.589 1.00 0.00 C ATOM 497 CE LYS A 39 11.617 14.306 -3.570 1.00 0.00 C ATOM 498 NZ LYS A 39 12.224 13.884 -4.839 1.00 0.00 N ATOM 0 H LYS A 39 7.730 16.413 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 39 10.113 17.925 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.633 17.521 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.276 18.096 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.218 15.307 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.371 15.778 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.020 16.394 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.862 16.059 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.333 14.158 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.757 13.672 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.553 12.901 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.518 13.950 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.031 14.502 -5.060 1.00 0.00 H new ATOM 512 N PRO A 40 9.365 20.344 -2.908 1.00 0.00 N ATOM 513 CA PRO A 40 8.849 21.718 -2.872 1.00 0.00 C ATOM 514 C PRO A 40 8.336 22.220 -4.227 1.00 0.00 C ATOM 515 O PRO A 40 7.779 23.307 -4.331 1.00 0.00 O ATOM 516 CB PRO A 40 10.031 22.543 -2.401 1.00 0.00 C ATOM 517 CG PRO A 40 11.232 21.741 -2.777 1.00 0.00 C ATOM 518 CD PRO A 40 10.824 20.299 -2.680 1.00 0.00 C ATOM 0 HA PRO A 40 7.979 21.788 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.045 23.523 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.990 22.713 -1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.561 21.985 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.067 21.955 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.329 19.687 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.066 19.877 -1.705 1.00 0.00 H new ATOM 526 N ASP A 41 8.530 21.431 -5.252 1.00 0.00 N ATOM 527 CA ASP A 41 8.057 21.728 -6.557 1.00 0.00 C ATOM 528 C ASP A 41 6.741 21.003 -6.824 1.00 0.00 C ATOM 529 O ASP A 41 6.195 21.069 -7.926 1.00 0.00 O ATOM 530 CB ASP A 41 9.108 21.320 -7.575 1.00 0.00 C ATOM 531 CG ASP A 41 9.549 19.879 -7.441 1.00 0.00 C ATOM 532 OD1 ASP A 41 10.489 19.618 -6.657 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.978 18.984 -8.112 1.00 0.00 O ATOM 0 H ASP A 41 9.034 20.547 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 41 7.874 22.799 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.712 21.479 -8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.977 21.969 -7.469 1.00 0.00 H new ATOM 538 N CYS A 42 6.241 20.312 -5.809 1.00 0.00 N ATOM 539 CA CYS A 42 4.988 19.609 -5.920 1.00 0.00 C ATOM 540 C CYS A 42 3.837 20.598 -6.040 1.00 0.00 C ATOM 541 O CYS A 42 3.675 21.507 -5.203 1.00 0.00 O ATOM 542 CB CYS A 42 4.759 18.674 -4.742 1.00 0.00 C ATOM 543 SG CYS A 42 3.271 17.673 -4.897 1.00 0.00 S ATOM 0 H CYS A 42 6.693 20.228 -4.898 1.00 0.00 H new ATOM 0 HA CYS A 42 5.031 18.998 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.621 18.015 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.697 19.264 -3.827 1.00 0.00 H new ATOM 0 HG CYS A 42 3.524 16.630 -5.630 1.00 0.00 H new ATOM 549 N LYS A 43 3.070 20.440 -7.081 1.00 0.00 N ATOM 550 CA LYS A 43 1.958 21.312 -7.351 1.00 0.00 C ATOM 551 C LYS A 43 0.686 20.810 -6.675 1.00 0.00 C ATOM 552 O LYS A 43 -0.148 21.604 -6.234 1.00 0.00 O ATOM 553 CB LYS A 43 1.772 21.423 -8.869 1.00 0.00 C ATOM 554 CG LYS A 43 0.617 22.292 -9.342 1.00 0.00 C ATOM 555 CD LYS A 43 0.682 23.705 -8.777 1.00 0.00 C ATOM 556 CE LYS A 43 -0.371 24.600 -9.414 1.00 0.00 C ATOM 557 NZ LYS A 43 -1.734 24.031 -9.321 1.00 0.00 N ATOM 0 H LYS A 43 3.198 19.700 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 43 2.167 22.300 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.694 21.814 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.633 20.420 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.624 22.339 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.325 21.830 -9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.533 23.675 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.673 24.124 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.355 25.576 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.119 24.761 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.432 24.757 -9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.818 23.222 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.912 23.713 -8.347 1.00 0.00 H new ATOM 571 N VAL A 44 0.560 19.515 -6.549 1.00 0.00 N ATOM 572 CA VAL A 44 -0.649 18.943 -6.005 1.00 0.00 C ATOM 573 C VAL A 44 -0.347 17.955 -4.888 1.00 0.00 C ATOM 574 O VAL A 44 0.360 16.977 -5.086 1.00 0.00 O ATOM 575 CB VAL A 44 -1.542 18.296 -7.112 1.00 0.00 C ATOM 576 CG1 VAL A 44 -0.833 17.165 -7.859 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.876 17.842 -6.542 1.00 0.00 C ATOM 0 H VAL A 44 1.275 18.837 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.221 19.764 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.738 19.072 -7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.501 16.754 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.065 17.553 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.556 16.381 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.477 17.396 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.705 17.105 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.404 18.699 -6.125 1.00 0.00 H new ATOM 587 N GLY A 45 -0.877 18.237 -3.726 1.00 0.00 N ATOM 588 CA GLY A 45 -0.675 17.399 -2.579 1.00 0.00 C ATOM 589 C GLY A 45 0.750 17.477 -2.063 1.00 0.00 C ATOM 590 O GLY A 45 1.359 16.461 -1.792 1.00 0.00 O ATOM 0 H GLY A 45 -1.461 19.055 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.364 17.695 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.911 16.367 -2.838 1.00 0.00 H new ATOM 594 N ARG A 46 1.306 18.684 -1.938 1.00 0.00 N ATOM 595 CA ARG A 46 2.647 18.819 -1.422 1.00 0.00 C ATOM 596 C ARG A 46 2.684 18.486 0.051 1.00 0.00 C ATOM 597 O ARG A 46 2.006 19.118 0.859 1.00 0.00 O ATOM 598 CB ARG A 46 3.212 20.213 -1.668 1.00 0.00 C ATOM 599 CG ARG A 46 4.618 20.387 -1.124 1.00 0.00 C ATOM 600 CD ARG A 46 5.400 21.477 -1.830 1.00 0.00 C ATOM 601 NE ARG A 46 4.784 22.809 -1.814 1.00 0.00 N ATOM 602 CZ ARG A 46 5.353 23.902 -1.270 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.394 23.780 -0.466 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.857 25.107 -1.506 1.00 0.00 N ATOM 0 H ARG A 46 0.848 19.561 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 46 3.277 18.111 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.215 20.414 -2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.556 20.952 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.563 20.619 -0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.156 19.444 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.387 21.547 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.551 21.178 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 46 3.865 22.914 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.770 22.856 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.822 24.610 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.038 25.213 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.294 25.929 -1.090 1.00 0.00 H new ATOM 618 N ILE A 47 3.459 17.504 0.383 1.00 0.00 N ATOM 619 CA ILE A 47 3.569 17.039 1.724 1.00 0.00 C ATOM 620 C ILE A 47 4.287 18.037 2.599 1.00 0.00 C ATOM 621 O ILE A 47 5.403 18.481 2.306 1.00 0.00 O ATOM 622 CB ILE A 47 4.189 15.620 1.813 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.350 14.646 0.954 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.266 15.169 3.261 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.875 13.238 0.877 1.00 0.00 C ATOM 0 H ILE A 47 4.042 16.996 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 47 2.554 16.946 2.111 1.00 0.00 H new ATOM 0 HB ILE A 47 5.207 15.634 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.336 14.617 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.282 15.046 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.703 14.172 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.886 15.864 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.264 15.147 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.215 12.637 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.876 13.246 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.915 12.809 1.878 1.00 0.00 H new ATOM 637 N THR A 48 3.588 18.430 3.613 1.00 0.00 N ATOM 638 CA THR A 48 4.023 19.350 4.615 1.00 0.00 C ATOM 639 C THR A 48 5.273 18.895 5.340 1.00 0.00 C ATOM 640 O THR A 48 6.340 19.511 5.237 1.00 0.00 O ATOM 641 CB THR A 48 2.902 19.484 5.634 1.00 0.00 C ATOM 642 OG1 THR A 48 2.358 18.165 5.870 1.00 0.00 O ATOM 643 CG2 THR A 48 1.828 20.358 5.111 1.00 0.00 C ATOM 0 H THR A 48 2.638 18.096 3.775 1.00 0.00 H new ATOM 0 HA THR A 48 4.261 20.293 4.123 1.00 0.00 H new ATOM 0 HB THR A 48 3.292 19.922 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.472 17.928 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.034 20.443 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.234 21.347 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.424 19.929 4.194 1.00 0.00 H new ATOM 651 N THR A 49 5.153 17.804 6.024 1.00 0.00 N ATOM 652 CA THR A 49 6.188 17.373 6.910 1.00 0.00 C ATOM 653 C THR A 49 6.559 15.949 6.593 1.00 0.00 C ATOM 654 O THR A 49 5.739 15.196 6.091 1.00 0.00 O ATOM 655 CB THR A 49 5.675 17.416 8.367 1.00 0.00 C ATOM 656 OG1 THR A 49 4.712 18.475 8.508 1.00 0.00 O ATOM 657 CG2 THR A 49 6.821 17.660 9.341 1.00 0.00 C ATOM 0 H THR A 49 4.340 17.189 5.986 1.00 0.00 H new ATOM 0 HA THR A 49 7.050 18.029 6.790 1.00 0.00 H new ATOM 0 HB THR A 49 5.216 16.454 8.595 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.864 18.105 8.831 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.434 17.686 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.552 16.857 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.298 18.612 9.110 1.00 0.00 H new ATOM 665 N THR A 50 7.762 15.591 6.897 1.00 0.00 N ATOM 666 CA THR A 50 8.246 14.252 6.755 1.00 0.00 C ATOM 667 C THR A 50 7.394 13.278 7.569 1.00 0.00 C ATOM 668 O THR A 50 7.066 12.199 7.111 1.00 0.00 O ATOM 669 CB THR A 50 9.731 14.203 7.203 1.00 0.00 C ATOM 670 OG1 THR A 50 10.296 12.898 7.021 1.00 0.00 O ATOM 671 CG2 THR A 50 9.919 14.665 8.639 1.00 0.00 C ATOM 0 H THR A 50 8.459 16.240 7.263 1.00 0.00 H new ATOM 0 HA THR A 50 8.176 13.949 5.710 1.00 0.00 H new ATOM 0 HB THR A 50 10.265 14.902 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.232 12.903 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.975 14.612 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.572 15.693 8.739 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.345 14.022 9.306 1.00 0.00 H new ATOM 679 N GLU A 51 7.008 13.698 8.755 1.00 0.00 N ATOM 680 CA GLU A 51 6.149 12.908 9.618 1.00 0.00 C ATOM 681 C GLU A 51 4.781 12.732 8.999 1.00 0.00 C ATOM 682 O GLU A 51 4.141 11.694 9.168 1.00 0.00 O ATOM 683 CB GLU A 51 6.049 13.542 10.990 1.00 0.00 C ATOM 684 CG GLU A 51 7.398 13.736 11.646 1.00 0.00 C ATOM 685 CD GLU A 51 8.172 12.447 11.756 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.910 11.661 12.688 1.00 0.00 O ATOM 687 OE2 GLU A 51 9.056 12.190 10.913 1.00 0.00 O ATOM 0 H GLU A 51 7.280 14.598 9.151 1.00 0.00 H new ATOM 0 HA GLU A 51 6.592 11.919 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.550 14.507 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.426 12.917 11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.978 14.458 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.258 14.159 12.641 1.00 0.00 H new ATOM 694 N ASP A 52 4.358 13.717 8.240 1.00 0.00 N ATOM 695 CA ASP A 52 3.091 13.659 7.547 1.00 0.00 C ATOM 696 C ASP A 52 3.197 12.773 6.355 1.00 0.00 C ATOM 697 O ASP A 52 2.275 12.026 6.054 1.00 0.00 O ATOM 698 CB ASP A 52 2.642 15.042 7.121 1.00 0.00 C ATOM 699 CG ASP A 52 2.107 15.865 8.270 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.351 15.328 9.109 1.00 0.00 O ATOM 701 OD2 ASP A 52 2.489 17.057 8.394 1.00 0.00 O ATOM 0 H ASP A 52 4.881 14.579 8.086 1.00 0.00 H new ATOM 0 HA ASP A 52 2.349 13.251 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.481 15.567 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.870 14.949 6.357 1.00 0.00 H new ATOM 706 N PHE A 53 4.341 12.839 5.706 1.00 0.00 N ATOM 707 CA PHE A 53 4.698 11.957 4.601 1.00 0.00 C ATOM 708 C PHE A 53 4.577 10.496 5.082 1.00 0.00 C ATOM 709 O PHE A 53 3.893 9.680 4.472 1.00 0.00 O ATOM 710 CB PHE A 53 6.148 12.265 4.145 1.00 0.00 C ATOM 711 CG PHE A 53 6.751 11.268 3.187 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.408 10.143 3.668 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.663 11.446 1.830 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.953 9.227 2.816 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.211 10.531 0.962 1.00 0.00 C ATOM 716 CZ PHE A 53 7.853 9.423 1.449 1.00 0.00 C ATOM 0 H PHE A 53 5.067 13.519 5.932 1.00 0.00 H new ATOM 0 HA PHE A 53 4.030 12.114 3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.162 13.249 3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.784 12.325 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.489 9.991 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.157 12.316 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.459 8.356 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.135 10.686 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.281 8.703 0.767 1.00 0.00 H new ATOM 726 N LYS A 54 5.222 10.221 6.199 1.00 0.00 N ATOM 727 CA LYS A 54 5.225 8.906 6.823 1.00 0.00 C ATOM 728 C LYS A 54 3.825 8.493 7.239 1.00 0.00 C ATOM 729 O LYS A 54 3.413 7.362 6.998 1.00 0.00 O ATOM 730 CB LYS A 54 6.151 8.934 8.034 1.00 0.00 C ATOM 731 CG LYS A 54 7.589 9.241 7.655 1.00 0.00 C ATOM 732 CD LYS A 54 8.442 9.487 8.864 1.00 0.00 C ATOM 733 CE LYS A 54 9.818 9.989 8.469 1.00 0.00 C ATOM 734 NZ LYS A 54 10.604 10.412 9.641 1.00 0.00 N ATOM 0 H LYS A 54 5.769 10.915 6.709 1.00 0.00 H new ATOM 0 HA LYS A 54 5.583 8.172 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.797 9.683 8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.110 7.971 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.000 8.409 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.615 10.117 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.957 10.217 9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.539 8.566 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.353 9.202 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.715 10.827 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.447 10.932 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.023 11.028 10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.898 9.574 10.183 1.00 0.00 H new ATOM 748 N HIS A 55 3.068 9.444 7.790 1.00 0.00 N ATOM 749 CA HIS A 55 1.687 9.214 8.247 1.00 0.00 C ATOM 750 C HIS A 55 0.850 8.774 7.079 1.00 0.00 C ATOM 751 O HIS A 55 0.128 7.775 7.152 1.00 0.00 O ATOM 752 CB HIS A 55 1.115 10.514 8.854 1.00 0.00 C ATOM 753 CG HIS A 55 -0.351 10.490 9.251 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.803 10.104 10.494 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.458 10.867 8.557 1.00 0.00 C ATOM 756 CE1 HIS A 55 -2.110 10.241 10.552 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.536 10.704 9.389 1.00 0.00 N ATOM 0 H HIS A 55 3.392 10.400 7.934 1.00 0.00 H new ATOM 0 HA HIS A 55 1.676 8.438 9.012 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.703 10.766 9.736 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.260 11.319 8.134 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.484 11.228 7.539 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.731 10.014 11.406 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.507 10.907 9.150 1.00 0.00 H new ATOM 765 N LEU A 56 0.966 9.502 6.012 1.00 0.00 N ATOM 766 CA LEU A 56 0.231 9.214 4.840 1.00 0.00 C ATOM 767 C LEU A 56 0.666 7.916 4.219 1.00 0.00 C ATOM 768 O LEU A 56 -0.178 7.078 3.955 1.00 0.00 O ATOM 769 CB LEU A 56 0.306 10.334 3.812 1.00 0.00 C ATOM 770 CG LEU A 56 -1.004 11.002 3.396 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.879 11.638 2.021 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.229 10.101 3.529 1.00 0.00 C ATOM 0 H LEU A 56 1.578 10.314 5.939 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.809 9.122 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.967 11.107 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.779 9.935 2.915 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.184 11.803 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.825 12.106 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.093 12.393 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.629 10.872 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.118 10.647 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.103 9.220 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.342 9.791 4.568 1.00 0.00 H new ATOM 784 N ALA A 57 1.982 7.715 4.039 1.00 0.00 N ATOM 785 CA ALA A 57 2.493 6.490 3.402 1.00 0.00 C ATOM 786 C ALA A 57 1.944 5.261 4.104 1.00 0.00 C ATOM 787 O ALA A 57 1.437 4.319 3.461 1.00 0.00 O ATOM 788 CB ALA A 57 4.011 6.463 3.359 1.00 0.00 C ATOM 0 H ALA A 57 2.704 8.377 4.322 1.00 0.00 H new ATOM 0 HA ALA A 57 2.146 6.484 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.345 5.542 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.374 7.319 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.405 6.508 4.374 1.00 0.00 H new ATOM 794 N ARG A 58 1.948 5.327 5.409 1.00 0.00 N ATOM 795 CA ARG A 58 1.479 4.218 6.238 1.00 0.00 C ATOM 796 C ARG A 58 -0.006 4.024 6.087 1.00 0.00 C ATOM 797 O ARG A 58 -0.478 2.905 5.836 1.00 0.00 O ATOM 798 CB ARG A 58 1.800 4.459 7.699 1.00 0.00 C ATOM 799 CG ARG A 58 3.269 4.499 7.998 1.00 0.00 C ATOM 800 CD ARG A 58 3.509 4.928 9.417 1.00 0.00 C ATOM 801 NE ARG A 58 4.946 5.030 9.697 1.00 0.00 N ATOM 802 CZ ARG A 58 5.507 5.677 10.717 1.00 0.00 C ATOM 803 NH1 ARG A 58 4.754 6.307 11.606 1.00 0.00 N ATOM 804 NH2 ARG A 58 6.831 5.702 10.834 1.00 0.00 N ATOM 0 H ARG A 58 2.271 6.138 5.936 1.00 0.00 H new ATOM 0 HA ARG A 58 1.996 3.320 5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.350 5.402 8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.338 3.673 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.706 3.515 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.766 5.188 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.030 5.891 9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.051 4.212 10.100 1.00 0.00 H new ATOM 0 HE ARG A 58 5.576 4.560 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.738 6.298 11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.190 6.801 12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.413 5.227 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.265 6.196 11.614 1.00 0.00 H new ATOM 818 N LYS A 59 -0.744 5.115 6.200 1.00 0.00 N ATOM 819 CA LYS A 59 -2.174 5.049 6.137 1.00 0.00 C ATOM 820 C LYS A 59 -2.651 4.541 4.772 1.00 0.00 C ATOM 821 O LYS A 59 -3.564 3.731 4.685 1.00 0.00 O ATOM 822 CB LYS A 59 -2.816 6.401 6.436 1.00 0.00 C ATOM 823 CG LYS A 59 -4.328 6.339 6.378 1.00 0.00 C ATOM 824 CD LYS A 59 -4.976 7.663 6.644 1.00 0.00 C ATOM 825 CE LYS A 59 -6.474 7.506 6.581 1.00 0.00 C ATOM 826 NZ LYS A 59 -7.175 8.734 6.920 1.00 0.00 N ATOM 0 H LYS A 59 -0.366 6.053 6.336 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.488 4.341 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.505 6.739 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.456 7.139 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.635 5.981 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.685 5.612 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.679 8.036 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.645 8.397 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.762 7.192 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.783 6.714 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.201 8.575 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.923 9.022 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.903 9.484 6.253 1.00 0.00 H new ATOM 840 N LEU A 60 -2.022 5.018 3.722 1.00 0.00 N ATOM 841 CA LEU A 60 -2.378 4.640 2.361 1.00 0.00 C ATOM 842 C LEU A 60 -2.089 3.182 2.129 1.00 0.00 C ATOM 843 O LEU A 60 -2.878 2.481 1.484 1.00 0.00 O ATOM 844 CB LEU A 60 -1.641 5.534 1.394 1.00 0.00 C ATOM 845 CG LEU A 60 -1.993 6.996 1.590 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.955 7.926 0.986 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.374 7.289 1.052 1.00 0.00 C ATOM 0 H LEU A 60 -1.248 5.680 3.781 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.447 4.776 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.567 5.399 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.879 5.238 0.373 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.995 7.188 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.253 8.961 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.012 7.746 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.878 7.739 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.607 8.343 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.406 7.059 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.107 6.677 1.578 1.00 0.00 H new ATOM 859 N THR A 61 -0.966 2.723 2.698 1.00 0.00 N ATOM 860 CA THR A 61 -0.617 1.305 2.664 1.00 0.00 C ATOM 861 C THR A 61 -1.738 0.529 3.294 1.00 0.00 C ATOM 862 O THR A 61 -2.234 -0.456 2.754 1.00 0.00 O ATOM 863 CB THR A 61 0.681 1.016 3.475 1.00 0.00 C ATOM 864 OG1 THR A 61 1.791 1.757 2.945 1.00 0.00 O ATOM 865 CG2 THR A 61 1.016 -0.469 3.454 1.00 0.00 C ATOM 0 H THR A 61 -0.290 3.313 3.184 1.00 0.00 H new ATOM 0 HA THR A 61 -0.453 1.016 1.626 1.00 0.00 H new ATOM 0 HB THR A 61 0.499 1.328 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.651 2.714 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.926 -0.645 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.195 -1.034 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.167 -0.793 2.424 1.00 0.00 H new ATOM 873 N HIS A 62 -2.191 1.063 4.390 1.00 0.00 N ATOM 874 CA HIS A 62 -3.189 0.429 5.202 1.00 0.00 C ATOM 875 C HIS A 62 -4.560 0.440 4.501 1.00 0.00 C ATOM 876 O HIS A 62 -5.331 -0.519 4.621 1.00 0.00 O ATOM 877 CB HIS A 62 -3.216 1.087 6.600 1.00 0.00 C ATOM 878 CG HIS A 62 -4.250 0.589 7.583 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.948 -0.220 8.662 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.570 0.864 7.689 1.00 0.00 C ATOM 881 CE1 HIS A 62 -5.029 -0.416 9.383 1.00 0.00 C ATOM 882 NE2 HIS A 62 -6.034 0.231 8.814 1.00 0.00 N ATOM 0 H HIS A 62 -1.874 1.963 4.750 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.934 -0.622 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.232 0.959 7.052 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.368 2.158 6.465 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.152 1.471 7.012 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.088 -1.005 10.286 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.995 0.255 9.156 1.00 0.00 H new ATOM 890 N GLY A 63 -4.849 1.496 3.773 1.00 0.00 N ATOM 891 CA GLY A 63 -6.108 1.596 3.081 1.00 0.00 C ATOM 892 C GLY A 63 -6.201 0.655 1.909 1.00 0.00 C ATOM 893 O GLY A 63 -7.182 -0.054 1.787 1.00 0.00 O ATOM 0 H GLY A 63 -4.228 2.295 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.919 1.384 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.246 2.619 2.732 1.00 0.00 H new ATOM 897 N VAL A 64 -5.139 0.584 1.082 1.00 0.00 N ATOM 898 CA VAL A 64 -5.148 -0.310 -0.112 1.00 0.00 C ATOM 899 C VAL A 64 -5.229 -1.745 0.356 1.00 0.00 C ATOM 900 O VAL A 64 -5.961 -2.555 -0.202 1.00 0.00 O ATOM 901 CB VAL A 64 -3.893 -0.126 -1.026 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.882 -1.153 -2.188 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.852 1.290 -1.582 1.00 0.00 C ATOM 0 H VAL A 64 -4.279 1.118 1.207 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.015 -0.043 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.007 -0.300 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.996 -0.997 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.867 -2.164 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.776 -1.022 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.974 1.406 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.751 1.477 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.802 2.003 -0.759 1.00 0.00 H new ATOM 913 N MET A 65 -4.568 -1.973 1.463 1.00 0.00 N ATOM 914 CA MET A 65 -4.511 -3.260 2.125 1.00 0.00 C ATOM 915 C MET A 65 -5.922 -3.684 2.505 1.00 0.00 C ATOM 916 O MET A 65 -6.375 -4.747 2.151 1.00 0.00 O ATOM 917 CB MET A 65 -3.641 -3.132 3.359 1.00 0.00 C ATOM 918 CG MET A 65 -3.586 -4.327 4.260 1.00 0.00 C ATOM 919 SD MET A 65 -2.496 -3.988 5.647 1.00 0.00 S ATOM 920 CE MET A 65 -2.934 -5.307 6.720 1.00 0.00 C ATOM 0 H MET A 65 -4.037 -1.248 1.946 1.00 0.00 H new ATOM 0 HA MET A 65 -4.084 -4.015 1.465 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.626 -2.898 3.039 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.996 -2.281 3.941 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.586 -4.569 4.621 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.228 -5.195 3.707 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.412 -4.906 7.614 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.625 -5.977 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.037 -5.858 7.004 1.00 0.00 H new ATOM 930 N ASN A 66 -6.619 -2.796 3.157 1.00 0.00 N ATOM 931 CA ASN A 66 -7.980 -3.021 3.587 1.00 0.00 C ATOM 932 C ASN A 66 -8.921 -3.177 2.417 1.00 0.00 C ATOM 933 O ASN A 66 -9.817 -4.010 2.455 1.00 0.00 O ATOM 934 CB ASN A 66 -8.435 -1.904 4.509 1.00 0.00 C ATOM 935 CG ASN A 66 -8.157 -2.195 5.951 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.998 -2.744 6.667 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.991 -1.850 6.392 1.00 0.00 N ATOM 0 H ASN A 66 -6.255 -1.878 3.411 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.002 -3.959 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.934 -0.978 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.504 -1.741 4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.740 -2.030 7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.323 -1.398 5.768 1.00 0.00 H new ATOM 944 N LYS A 67 -8.715 -2.385 1.380 1.00 0.00 N ATOM 945 CA LYS A 67 -9.517 -2.448 0.173 1.00 0.00 C ATOM 946 C LYS A 67 -9.426 -3.811 -0.443 1.00 0.00 C ATOM 947 O LYS A 67 -10.434 -4.430 -0.751 1.00 0.00 O ATOM 948 CB LYS A 67 -9.085 -1.392 -0.845 1.00 0.00 C ATOM 949 CG LYS A 67 -9.257 0.032 -0.373 1.00 0.00 C ATOM 950 CD LYS A 67 -8.765 1.023 -1.410 1.00 0.00 C ATOM 951 CE LYS A 67 -8.863 2.450 -0.901 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.225 2.776 -0.441 1.00 0.00 N ATOM 0 H LYS A 67 -7.982 -1.676 1.352 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.550 -2.246 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.037 -1.555 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.659 -1.531 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.309 0.221 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.710 0.176 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.731 0.798 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.352 0.919 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.159 2.592 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.573 3.139 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.310 3.804 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.916 2.459 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.411 2.296 0.462 1.00 0.00 H new ATOM 966 N GLU A 68 -8.242 -4.317 -0.584 1.00 0.00 N ATOM 967 CA GLU A 68 -8.113 -5.589 -1.148 1.00 0.00 C ATOM 968 C GLU A 68 -8.481 -6.676 -0.197 1.00 0.00 C ATOM 969 O GLU A 68 -9.077 -7.624 -0.584 1.00 0.00 O ATOM 970 CB GLU A 68 -6.829 -5.769 -1.867 1.00 0.00 C ATOM 971 CG GLU A 68 -5.568 -5.490 -1.113 1.00 0.00 C ATOM 972 CD GLU A 68 -4.446 -5.491 -2.087 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.452 -4.608 -2.981 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.622 -6.424 -2.057 1.00 0.00 O ATOM 0 H GLU A 68 -7.370 -3.862 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.860 -5.673 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.786 -6.798 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.844 -5.126 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.632 -4.528 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.407 -6.246 -0.345 1.00 0.00 H new ATOM 981 N LEU A 69 -8.203 -6.520 1.055 1.00 0.00 N ATOM 982 CA LEU A 69 -8.699 -7.491 2.037 1.00 0.00 C ATOM 983 C LEU A 69 -10.236 -7.555 2.039 1.00 0.00 C ATOM 984 O LEU A 69 -10.809 -8.590 2.380 1.00 0.00 O ATOM 985 CB LEU A 69 -8.187 -7.194 3.460 1.00 0.00 C ATOM 986 CG LEU A 69 -6.851 -7.805 3.915 1.00 0.00 C ATOM 987 CD1 LEU A 69 -7.001 -9.289 4.187 1.00 0.00 C ATOM 988 CD2 LEU A 69 -5.772 -7.605 2.893 1.00 0.00 C ATOM 0 H LEU A 69 -7.649 -5.755 1.440 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.306 -8.461 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.105 -6.112 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.954 -7.522 4.161 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.566 -7.290 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.043 -9.699 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.742 -9.442 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.326 -9.795 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.844 -8.051 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.065 -8.080 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.622 -6.538 2.727 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.902 -6.474 1.644 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.343 -6.473 1.606 1.00 0.00 C ATOM 1002 C LYS A 70 -12.896 -6.882 0.233 1.00 0.00 C ATOM 1003 O LYS A 70 -14.043 -7.310 0.129 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.916 -5.122 2.098 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.682 -3.951 1.197 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.235 -2.633 1.742 1.00 0.00 C ATOM 1007 CE LYS A 70 -12.461 -2.075 2.947 1.00 0.00 C ATOM 1008 NZ LYS A 70 -12.686 -2.802 4.219 1.00 0.00 N ATOM 0 H LYS A 70 -10.464 -5.601 1.350 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.684 -7.240 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.990 -5.236 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.484 -4.899 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.611 -3.843 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.139 -4.153 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.227 -1.891 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.276 -2.780 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.396 -2.094 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.739 -1.030 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.736 -2.121 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.579 -3.332 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.901 -3.464 4.384 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.087 -6.749 -0.819 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.527 -7.148 -2.179 1.00 0.00 C ATOM 1024 C TYR A 71 -12.019 -8.544 -2.525 1.00 0.00 C ATOM 1025 O TYR A 71 -12.703 -9.325 -3.169 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.043 -6.142 -3.262 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.502 -4.701 -3.067 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.419 -4.377 -2.093 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -11.993 -3.671 -3.845 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -13.828 -3.100 -1.876 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.400 -2.364 -3.644 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.319 -2.081 -2.654 1.00 0.00 C ATOM 1033 OH TYR A 71 -13.725 -0.774 -2.446 1.00 0.00 O ATOM 0 H TYR A 71 -11.139 -6.376 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.617 -7.148 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.953 -6.158 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.390 -6.488 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.828 -5.166 -1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.270 -3.892 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.547 -2.884 -1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.001 -1.570 -4.258 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.267 -0.184 -3.081 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.849 -8.849 -2.054 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.165 -10.095 -2.341 1.00 0.00 C ATOM 1045 C CYS A 72 -10.563 -11.115 -1.343 1.00 0.00 C ATOM 1046 O CYS A 72 -10.893 -12.249 -1.702 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.637 -9.901 -2.295 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.925 -9.020 -3.702 1.00 0.00 S ATOM 0 H CYS A 72 -10.320 -8.228 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.444 -10.424 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.384 -9.360 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.165 -10.881 -2.225 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.347 -9.869 -4.499 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.497 -10.714 -0.062 1.00 0.00 N ATOM 1055 CA LYS A 73 -10.881 -11.540 1.088 1.00 0.00 C ATOM 1056 C LYS A 73 -9.868 -12.660 1.367 1.00 0.00 C ATOM 1057 O LYS A 73 -9.626 -13.006 2.516 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.303 -12.062 0.911 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.324 -10.939 0.808 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.532 -11.384 0.034 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.575 -10.288 -0.053 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.764 -10.728 -0.808 1.00 0.00 N ATOM 0 H LYS A 73 -10.168 -9.786 0.205 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.867 -10.910 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.352 -12.678 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.558 -12.706 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.623 -10.621 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.873 -10.075 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.232 -11.681 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.966 -12.263 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.872 -9.987 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.142 -9.411 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.457 -9.953 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.484 -10.991 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.191 -11.550 -0.335 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.279 -13.204 0.323 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.249 -14.209 0.455 1.00 0.00 C ATOM 1078 C ASN A 74 -6.898 -13.539 0.336 1.00 0.00 C ATOM 1079 O ASN A 74 -6.543 -13.049 -0.732 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.351 -15.304 -0.628 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.693 -15.993 -0.674 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -9.946 -16.928 0.077 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.544 -15.579 -1.582 1.00 0.00 N ATOM 0 H ASN A 74 -9.502 -12.960 -0.642 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.376 -14.687 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.148 -14.858 -1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.576 -16.050 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.449 -16.039 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.300 -14.797 -2.191 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.122 -13.471 1.426 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.778 -12.854 1.410 1.00 0.00 C ATOM 1092 C PRO A 75 -3.735 -13.676 0.703 1.00 0.00 C ATOM 1093 O PRO A 75 -2.591 -13.286 0.572 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.398 -12.727 2.813 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.257 -13.739 3.564 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.501 -13.932 2.773 1.00 0.00 C ATOM 0 HA PRO A 75 -4.826 -11.909 0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.337 -12.934 2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.576 -11.715 3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.725 -14.683 3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.490 -13.378 4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.816 -14.975 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.330 -13.351 3.178 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.150 -14.793 0.256 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.387 -15.665 -0.601 1.00 0.00 C ATOM 1106 C GLU A 76 -3.252 -14.979 -1.990 1.00 0.00 C ATOM 1107 O GLU A 76 -2.550 -15.437 -2.893 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.145 -16.983 -0.693 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.410 -18.131 -1.335 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.273 -19.356 -1.367 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.519 -19.951 -0.301 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.769 -19.716 -2.447 1.00 0.00 O ATOM 0 H GLU A 76 -5.075 -15.161 0.477 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.385 -15.858 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.435 -17.282 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.065 -16.811 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.115 -17.860 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.494 -18.339 -0.782 1.00 0.00 H new ATOM 1119 N ASP A 77 -3.922 -13.854 -2.098 1.00 0.00 N ATOM 1120 CA ASP A 77 -3.937 -13.012 -3.277 1.00 0.00 C ATOM 1121 C ASP A 77 -3.313 -11.654 -2.929 1.00 0.00 C ATOM 1122 O ASP A 77 -3.031 -10.844 -3.796 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.392 -12.827 -3.744 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.536 -12.045 -5.034 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.159 -12.571 -6.098 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.106 -10.940 -5.018 1.00 0.00 O ATOM 0 H ASP A 77 -4.494 -13.485 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.362 -13.474 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.847 -13.809 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.952 -12.318 -2.959 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.012 -11.467 -1.649 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.515 -10.234 -1.118 1.00 0.00 C ATOM 1133 C LEU A 78 -1.006 -10.154 -1.318 1.00 0.00 C ATOM 1134 O LEU A 78 -0.218 -10.767 -0.590 1.00 0.00 O ATOM 1135 CB LEU A 78 -2.869 -10.187 0.347 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.382 -9.027 1.142 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.097 -7.757 0.802 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.454 -9.308 2.594 1.00 0.00 C ATOM 0 H LEU A 78 -3.115 -12.198 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.962 -9.383 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.955 -10.217 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.488 -11.096 0.813 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.336 -8.879 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.703 -6.943 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.947 -7.526 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.162 -7.875 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.092 -8.443 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.487 -9.513 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.836 -10.175 2.828 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.660 -9.461 -2.333 1.00 0.00 N ATOM 1151 CA GLU A 79 0.675 -9.232 -2.790 1.00 0.00 C ATOM 1152 C GLU A 79 0.707 -7.812 -3.266 1.00 0.00 C ATOM 1153 O GLU A 79 -0.279 -7.349 -3.819 1.00 0.00 O ATOM 1154 CB GLU A 79 0.857 -10.114 -3.998 1.00 0.00 C ATOM 1155 CG GLU A 79 2.122 -9.950 -4.801 1.00 0.00 C ATOM 1156 CD GLU A 79 3.377 -10.415 -4.128 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.333 -11.394 -3.364 1.00 0.00 O ATOM 1158 OE2 GLU A 79 4.449 -9.854 -4.414 1.00 0.00 O ATOM 0 H GLU A 79 -1.352 -8.997 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 79 1.430 -9.425 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.802 -11.151 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.012 -9.947 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.010 -10.495 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.236 -8.896 -5.056 1.00 0.00 H new ATOM 1165 N CYS A 80 1.812 -7.153 -3.130 1.00 0.00 N ATOM 1166 CA CYS A 80 1.945 -5.826 -3.660 1.00 0.00 C ATOM 1167 C CYS A 80 2.371 -5.992 -5.089 1.00 0.00 C ATOM 1168 O CYS A 80 3.553 -5.869 -5.457 1.00 0.00 O ATOM 1169 CB CYS A 80 2.914 -4.945 -2.841 1.00 0.00 C ATOM 1170 SG CYS A 80 3.302 -3.338 -3.572 1.00 0.00 S ATOM 0 H CYS A 80 2.641 -7.510 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 80 0.999 -5.289 -3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.484 -4.782 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.844 -5.494 -2.697 1.00 0.00 H new ATOM 0 HG CYS A 80 3.640 -3.498 -4.817 1.00 0.00 H new ATOM 1176 N ASN A 81 1.421 -6.408 -5.880 1.00 0.00 N ATOM 1177 CA ASN A 81 1.687 -6.748 -7.240 1.00 0.00 C ATOM 1178 C ASN A 81 1.298 -5.610 -8.123 1.00 0.00 C ATOM 1179 O ASN A 81 0.864 -4.592 -7.657 1.00 0.00 O ATOM 1180 CB ASN A 81 0.920 -7.982 -7.672 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.588 -7.717 -7.723 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.078 -7.213 -8.632 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.281 -8.025 -6.755 1.00 0.00 N ATOM 0 H ASN A 81 0.447 -6.519 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 81 2.753 -6.957 -7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.268 -8.302 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.124 -8.799 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.283 -7.833 -6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.854 -8.473 -5.944 1.00 0.00 H new ATOM 1190 N GLU A 82 1.414 -5.854 -9.382 1.00 0.00 N ATOM 1191 CA GLU A 82 1.071 -4.957 -10.465 1.00 0.00 C ATOM 1192 C GLU A 82 -0.338 -4.361 -10.335 1.00 0.00 C ATOM 1193 O GLU A 82 -0.501 -3.143 -10.369 1.00 0.00 O ATOM 1194 CB GLU A 82 1.168 -5.757 -11.696 1.00 0.00 C ATOM 1195 CG GLU A 82 2.577 -6.208 -11.999 1.00 0.00 C ATOM 1196 CD GLU A 82 3.501 -5.057 -12.293 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.498 -4.555 -13.418 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.245 -4.614 -11.386 1.00 0.00 O ATOM 0 H GLU A 82 1.776 -6.746 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 82 1.748 -4.103 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.524 -6.632 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.792 -5.170 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.964 -6.773 -11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.562 -6.885 -12.853 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.326 -5.240 -10.203 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.739 -4.891 -9.944 1.00 0.00 C ATOM 1207 C ASN A 83 -2.781 -3.969 -8.782 1.00 0.00 C ATOM 1208 O ASN A 83 -3.356 -2.868 -8.841 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.578 -6.140 -9.510 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.732 -7.218 -10.556 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -3.723 -6.961 -11.761 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -3.883 -8.438 -10.108 1.00 0.00 N ATOM 0 H ASN A 83 -1.173 -6.246 -10.273 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.145 -4.464 -10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.113 -6.579 -8.627 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.571 -5.803 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.998 -9.211 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.886 -8.616 -9.104 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.123 -4.399 -7.708 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.152 -3.636 -6.484 1.00 0.00 C ATOM 1221 C VAL A 84 -1.496 -2.281 -6.661 1.00 0.00 C ATOM 1222 O VAL A 84 -2.068 -1.262 -6.277 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.567 -4.416 -5.325 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.508 -3.583 -4.073 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.413 -5.616 -5.087 1.00 0.00 C ATOM 0 H VAL A 84 -1.575 -5.258 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.197 -3.449 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.547 -4.707 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.083 -4.175 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.884 -2.706 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.514 -3.264 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.005 -6.189 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.430 -5.303 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.425 -6.236 -5.983 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.337 -2.273 -7.293 1.00 0.00 N ATOM 1236 CA LYS A 85 0.385 -1.032 -7.588 1.00 0.00 C ATOM 1237 C LYS A 85 -0.490 -0.100 -8.351 1.00 0.00 C ATOM 1238 O LYS A 85 -0.630 1.043 -7.977 1.00 0.00 O ATOM 1239 CB LYS A 85 1.602 -1.300 -8.429 1.00 0.00 C ATOM 1240 CG LYS A 85 2.617 -2.162 -7.782 1.00 0.00 C ATOM 1241 CD LYS A 85 3.702 -2.476 -8.750 1.00 0.00 C ATOM 1242 CE LYS A 85 4.585 -3.525 -8.195 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.598 -3.945 -9.168 1.00 0.00 N ATOM 0 H LYS A 85 0.135 -3.117 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 85 0.682 -0.595 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.288 -1.768 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.065 -0.348 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.031 -1.659 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.154 -3.083 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.273 -2.812 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.281 -1.578 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.075 -3.151 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.986 -4.386 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.178 -4.705 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.129 -4.293 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.206 -3.136 -9.407 1.00 0.00 H new ATOM 1257 N HIS A 86 -1.127 -0.647 -9.380 1.00 0.00 N ATOM 1258 CA HIS A 86 -2.015 0.087 -10.283 1.00 0.00 C ATOM 1259 C HIS A 86 -3.023 0.867 -9.469 1.00 0.00 C ATOM 1260 O HIS A 86 -3.075 2.121 -9.504 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.722 -0.911 -11.227 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.628 -0.301 -12.254 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.922 -0.717 -12.456 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -3.389 0.640 -13.178 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -5.442 -0.065 -13.465 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.534 0.774 -13.933 1.00 0.00 N ATOM 0 H HIS A 86 -1.041 -1.635 -9.618 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.440 0.789 -10.887 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.961 -1.497 -11.742 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.304 -1.606 -10.622 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.469 1.191 -13.307 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.443 -0.191 -13.850 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.659 1.412 -14.719 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.714 0.125 -8.648 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.773 0.654 -7.805 1.00 0.00 C ATOM 1276 C LYS A 87 -4.209 1.676 -6.853 1.00 0.00 C ATOM 1277 O LYS A 87 -4.806 2.711 -6.626 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.438 -0.430 -6.989 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.057 -1.571 -7.773 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.706 -2.561 -6.821 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.672 -3.244 -5.902 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.287 -4.048 -4.827 1.00 0.00 N ATOM 0 H LYS A 87 -3.563 -0.878 -8.538 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.514 1.104 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.699 -0.846 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.216 0.029 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.800 -1.184 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.293 -2.072 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.447 -2.045 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.238 -3.320 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.029 -3.886 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.033 -2.482 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.547 -4.574 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.782 -3.419 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.966 -4.718 -5.240 1.00 0.00 H new ATOM 1296 N THR A 88 -3.045 1.407 -6.383 1.00 0.00 N ATOM 1297 CA THR A 88 -2.453 2.146 -5.377 1.00 0.00 C ATOM 1298 C THR A 88 -2.006 3.474 -5.848 1.00 0.00 C ATOM 1299 O THR A 88 -2.494 4.456 -5.373 1.00 0.00 O ATOM 1300 CB THR A 88 -1.312 1.371 -4.807 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.829 0.248 -4.101 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.463 2.233 -3.931 1.00 0.00 C ATOM 0 H THR A 88 -2.472 0.631 -6.715 1.00 0.00 H new ATOM 0 HA THR A 88 -3.197 2.328 -4.602 1.00 0.00 H new ATOM 0 HB THR A 88 -0.669 1.017 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.052 -0.464 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.361 1.643 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.064 3.063 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.065 2.622 -3.110 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.128 3.509 -6.804 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.626 4.757 -7.255 1.00 0.00 C ATOM 1312 C LYS A 89 -1.715 5.638 -7.873 1.00 0.00 C ATOM 1313 O LYS A 89 -1.694 6.868 -7.721 1.00 0.00 O ATOM 1314 CB LYS A 89 0.621 4.598 -8.123 1.00 0.00 C ATOM 1315 CG LYS A 89 0.598 3.453 -9.108 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.437 3.604 -10.146 1.00 0.00 C ATOM 1317 CE LYS A 89 -0.131 2.773 -11.371 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.067 3.225 -12.084 1.00 0.00 N ATOM 0 H LYS A 89 -0.750 2.690 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.291 5.306 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.776 5.524 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.482 4.471 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.574 3.373 -9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.430 2.521 -8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.405 3.309 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.517 4.653 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.000 1.732 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.984 2.806 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.005 2.939 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.137 4.261 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.910 2.796 -11.652 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.699 4.998 -8.537 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.852 5.750 -9.035 1.00 0.00 C ATOM 1334 C GLU A 90 -4.695 6.289 -7.874 1.00 0.00 C ATOM 1335 O GLU A 90 -5.196 7.432 -7.920 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.734 4.936 -9.953 1.00 0.00 C ATOM 1337 CG GLU A 90 -4.081 4.480 -11.236 1.00 0.00 C ATOM 1338 CD GLU A 90 -5.085 3.864 -12.163 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.621 2.796 -11.855 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -5.387 4.475 -13.209 1.00 0.00 O ATOM 0 H GLU A 90 -2.715 3.997 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.443 6.578 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.083 4.058 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.615 5.528 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.602 5.328 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.297 3.757 -11.012 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.788 5.504 -6.802 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.553 5.903 -5.635 1.00 0.00 C ATOM 1349 C TYR A 91 -4.847 7.035 -4.976 1.00 0.00 C ATOM 1350 O TYR A 91 -5.441 8.015 -4.667 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.712 4.734 -4.645 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.086 5.124 -3.234 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.297 5.735 -2.942 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.208 4.877 -2.193 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.617 6.084 -1.648 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.514 5.215 -0.906 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.723 5.820 -0.630 1.00 0.00 C ATOM 1358 OH TYR A 91 -7.045 6.158 0.670 1.00 0.00 O ATOM 0 H TYR A 91 -4.342 4.590 -6.723 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.552 6.207 -5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.473 4.056 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.775 4.177 -4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.997 5.939 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.259 4.406 -2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.561 6.561 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.814 5.010 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.309 5.904 1.266 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.561 6.854 -4.780 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.670 7.848 -4.191 1.00 0.00 C ATOM 1370 C ILE A 92 -2.792 9.175 -4.860 1.00 0.00 C ATOM 1371 O ILE A 92 -3.064 10.169 -4.178 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.203 7.387 -4.265 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.980 6.154 -3.392 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.246 8.533 -3.902 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.666 6.437 -1.988 1.00 0.00 C ATOM 0 H ILE A 92 -3.084 5.988 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.971 7.953 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.982 7.101 -5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.875 5.534 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.167 5.567 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.784 8.180 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.388 9.360 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.454 8.873 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.525 5.499 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.248 7.028 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.487 6.994 -1.537 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.582 9.210 -6.169 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.665 10.454 -6.858 1.00 0.00 C ATOM 1389 C LYS A 93 -4.030 11.050 -6.649 1.00 0.00 C ATOM 1390 O LYS A 93 -4.137 12.146 -6.123 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.284 10.366 -8.364 1.00 0.00 C ATOM 1392 CG LYS A 93 -3.196 9.519 -9.235 1.00 0.00 C ATOM 1393 CD LYS A 93 -2.817 9.624 -10.701 1.00 0.00 C ATOM 1394 CE LYS A 93 -3.823 8.905 -11.581 1.00 0.00 C ATOM 1395 NZ LYS A 93 -3.544 9.102 -13.017 1.00 0.00 N ATOM 0 H LYS A 93 -2.359 8.401 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.914 11.117 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.261 11.377 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.272 9.969 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.141 8.478 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.229 9.839 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.761 10.673 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.826 9.198 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.808 7.839 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.826 9.266 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.255 8.594 -13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.583 10.117 -13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.597 8.734 -13.240 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.063 10.248 -6.834 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.408 10.768 -6.791 1.00 0.00 C ATOM 1411 C LYS A 94 -6.739 11.235 -5.377 1.00 0.00 C ATOM 1412 O LYS A 94 -7.503 12.188 -5.171 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.398 9.714 -7.259 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.820 10.203 -7.358 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.757 9.079 -7.725 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.158 9.594 -7.948 1.00 0.00 C ATOM 1417 NZ LYS A 94 -11.217 10.544 -9.073 1.00 0.00 N ATOM 0 H LYS A 94 -4.994 9.246 -7.013 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.481 11.622 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.084 9.345 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.363 8.869 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.125 10.639 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.885 10.993 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.400 8.583 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.762 8.332 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.827 8.756 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.515 10.082 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.199 10.629 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.876 11.475 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.618 10.199 -9.850 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.155 10.563 -4.420 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.314 10.904 -3.074 1.00 0.00 C ATOM 1433 C TYR A 95 -5.681 12.263 -2.781 1.00 0.00 C ATOM 1434 O TYR A 95 -6.325 13.139 -2.252 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.713 9.804 -2.211 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.678 10.167 -0.761 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.832 10.117 0.017 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.519 10.621 -0.183 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.819 10.524 1.334 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.499 11.015 1.124 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.647 10.975 1.880 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.610 11.404 3.180 1.00 0.00 O ATOM 0 H TYR A 95 -5.552 9.756 -4.580 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.375 10.993 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.292 8.889 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.700 9.591 -2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.751 9.754 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.613 10.667 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.721 10.488 1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.576 11.360 1.567 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.247 10.693 3.749 1.00 0.00 H new ATOM 1452 N MET A 96 -4.437 12.438 -3.155 1.00 0.00 N ATOM 1453 CA MET A 96 -3.742 13.655 -2.873 1.00 0.00 C ATOM 1454 C MET A 96 -4.319 14.843 -3.618 1.00 0.00 C ATOM 1455 O MET A 96 -4.161 15.990 -3.185 1.00 0.00 O ATOM 1456 CB MET A 96 -2.265 13.499 -3.122 1.00 0.00 C ATOM 1457 CG MET A 96 -1.693 12.303 -2.379 1.00 0.00 C ATOM 1458 SD MET A 96 0.022 12.439 -1.974 1.00 0.00 S ATOM 1459 CE MET A 96 -0.064 13.858 -0.928 1.00 0.00 C ATOM 0 H MET A 96 -3.887 11.742 -3.659 1.00 0.00 H new ATOM 0 HA MET A 96 -3.884 13.868 -1.813 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.086 13.383 -4.191 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.745 14.405 -2.809 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.260 12.159 -1.459 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.839 11.410 -2.987 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.862 13.949 -0.361 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.206 14.751 -1.537 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.902 13.752 -0.239 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.040 14.569 -4.715 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.683 15.644 -5.479 1.00 0.00 C ATOM 1471 C GLN A 97 -6.772 16.328 -4.644 1.00 0.00 C ATOM 1472 O GLN A 97 -7.199 17.449 -4.958 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.290 15.161 -6.809 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.390 14.279 -7.664 1.00 0.00 C ATOM 1475 CD GLN A 97 -3.972 14.792 -7.849 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.671 15.531 -8.779 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.084 14.349 -6.986 1.00 0.00 N ATOM 0 H GLN A 97 -5.190 13.631 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.893 16.356 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.205 14.611 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.575 16.034 -7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.345 13.288 -7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.849 14.162 -8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.375 13.735 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.105 14.619 -7.078 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.214 15.663 -3.575 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.254 16.221 -2.731 1.00 0.00 C ATOM 1488 C LYS A 98 -7.699 17.313 -1.834 1.00 0.00 C ATOM 1489 O LYS A 98 -8.410 18.244 -1.480 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.994 15.146 -1.878 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.261 14.627 -0.611 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.066 14.902 0.668 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.191 16.400 0.919 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.232 16.765 1.888 1.00 0.00 N ATOM 0 H LYS A 98 -6.869 14.749 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.992 16.652 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.954 15.560 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.208 14.292 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.085 13.555 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.284 15.105 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.058 14.460 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.579 14.426 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.232 16.778 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.401 16.899 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.253 17.798 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.157 16.436 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.025 16.319 2.805 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.427 17.201 -1.464 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.830 18.176 -0.564 1.00 0.00 C ATOM 1510 C PHE A 99 -5.641 19.496 -1.283 1.00 0.00 C ATOM 1511 O PHE A 99 -5.782 20.571 -0.694 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.488 17.705 -0.001 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.541 16.507 0.904 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.162 16.581 2.147 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.917 15.323 0.541 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.168 15.490 2.995 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.925 14.236 1.391 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.553 14.326 2.614 1.00 0.00 C ATOM 0 H PHE A 99 -5.800 16.457 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.515 18.299 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.826 17.477 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.036 18.531 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.643 17.499 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.420 15.251 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.656 15.554 3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.440 13.317 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.561 13.473 3.277 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.317 19.407 -2.546 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.145 20.558 -3.347 1.00 0.00 C ATOM 1530 C GLY A 100 -3.704 20.816 -3.563 1.00 0.00 C ATOM 1531 O GLY A 100 -2.979 19.944 -4.009 1.00 0.00 O ATOM 0 H GLY A 100 -5.168 18.525 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.646 20.422 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.608 21.419 -2.865 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.269 21.967 -3.189 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.892 22.343 -3.368 1.00 0.00 C ATOM 1537 C ALA A 101 -1.006 21.708 -2.309 1.00 0.00 C ATOM 1538 O ALA A 101 0.080 21.187 -2.616 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.752 23.847 -3.342 1.00 0.00 C ATOM 0 H ALA A 101 -3.849 22.682 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.565 21.976 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.705 24.117 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.347 24.282 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.103 24.229 -2.383 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.457 21.715 -1.076 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.648 21.196 0.006 1.00 0.00 C ATOM 1547 C VAL A 102 -1.414 20.069 0.671 1.00 0.00 C ATOM 1548 O VAL A 102 -2.644 20.061 0.680 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.316 22.258 1.080 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.964 21.947 1.825 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.331 23.671 0.534 1.00 0.00 C ATOM 0 H VAL A 102 -2.371 22.071 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 102 0.296 20.860 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.123 22.205 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.151 22.723 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.869 20.983 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.795 21.911 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.091 24.372 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.408 23.761 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.321 23.897 0.138 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.685 19.157 1.223 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.220 18.033 1.912 1.00 0.00 C ATOM 1563 C TYR A 103 -1.527 18.423 3.340 1.00 0.00 C ATOM 1564 O TYR A 103 -0.647 18.570 4.166 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.252 16.819 1.798 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.386 15.724 2.856 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.597 15.348 3.357 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.727 15.089 3.348 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.706 14.393 4.326 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.634 14.115 4.311 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.585 13.777 4.802 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.681 12.829 5.801 1.00 0.00 O ATOM 0 H TYR A 103 0.335 19.176 1.205 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.158 17.717 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.394 16.363 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.770 17.196 1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.492 15.818 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.700 15.362 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.677 14.125 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.523 13.622 4.675 1.00 0.00 H new ATOM 0 HH TYR A 103 0.209 12.469 5.997 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.773 18.641 3.578 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.273 18.975 4.876 1.00 0.00 C ATOM 1584 C LYS A 104 -4.125 17.824 5.404 1.00 0.00 C ATOM 1585 O LYS A 104 -5.313 17.758 5.123 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.098 20.254 4.793 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.291 21.487 4.389 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.180 22.708 4.201 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.135 22.528 3.029 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.046 23.684 2.863 1.00 0.00 N ATOM 0 H LYS A 104 -3.496 18.592 2.860 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.440 19.140 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.904 20.108 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.563 20.438 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.542 21.697 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.754 21.282 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.751 22.888 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.560 23.589 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.560 22.387 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.724 21.623 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.677 23.516 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.614 23.805 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.487 24.545 2.693 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.530 16.884 6.159 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.240 15.681 6.653 1.00 0.00 C ATOM 1606 C PRO A 105 -5.388 16.028 7.596 1.00 0.00 C ATOM 1607 O PRO A 105 -6.268 15.211 7.859 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.168 14.887 7.386 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.079 15.854 7.645 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.134 16.912 6.594 1.00 0.00 C ATOM 0 HA PRO A 105 -4.700 15.128 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.554 14.470 8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.816 14.050 6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.191 16.296 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.112 15.351 7.628 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.856 17.888 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.452 16.697 5.771 1.00 0.00 H new