USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=28 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 26 MET CE :methyl -121:sc= -3.23 (180deg=-3.61!) USER MOD Set 1.2: A 80 CYS SG : rot 5:sc= -0.144 USER MOD Set 1.3: A 88 THR OG1 : rot 90:sc= -1.11! USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.48 X(o=-1,f=-0.89) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.563 X(o=-1,f=-0.89) USER MOD Set 3.1: A 27 SER OG : rot 95:sc= 0.0148 USER MOD Set 3.2: A 61 THR OG1 : rot 60:sc= -0.419! USER MOD Single : A 17 LYS NZ :NH3+ 139:sc= -0.137 (180deg=-0.613) USER MOD Single : A 18 SER OG : rot -99:sc= 0.942 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.0628 (180deg=-0.389) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.128) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 32 GLN : amide:sc=-0.000308 X(o=-0.00031,f=-0.22) USER MOD Single : A 33 CYS SG : rot 72:sc= 0.477 USER MOD Single : A 35 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.097) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.187 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 70:sc= -3.96! USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= -1.41 (180deg=-3.54!) USER MOD Single : A 48 THR OG1 : rot 89:sc= 0.865 USER MOD Single : A 49 THR OG1 : rot 93:sc= 0.127 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.346 X(o=-0.35,f=0.054) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -104:sc= -0.792 (180deg=-2.74!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -130:sc= 1.11 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=-0.37) USER MOD Single : A 81 ASN : amide:sc= -5.71! C(o=-5.7!,f=-18!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= 0.936 (180deg=-0.982) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.09) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.07) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 90:sc= -0.762 USER MOD Single : A 96 MET CE :methyl 165:sc= -2.06 (180deg=-2.45!) USER MOD Single : A 97 GLN : amide:sc= 0.29 K(o=0.29,f=-4.5!) USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= -0.492 (180deg=-2.68!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.618 USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= -1.5! (180deg=-3.39!) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.576 -13.834 6.740 1.00 0.00 N ATOM 104 CA LYS A 17 3.834 -13.405 6.223 1.00 0.00 C ATOM 105 C LYS A 17 3.570 -12.498 5.028 1.00 0.00 C ATOM 106 O LYS A 17 4.192 -11.463 4.895 1.00 0.00 O ATOM 107 CB LYS A 17 4.699 -14.590 5.813 1.00 0.00 C ATOM 108 CG LYS A 17 4.690 -15.759 6.795 1.00 0.00 C ATOM 109 CD LYS A 17 5.060 -15.338 8.205 1.00 0.00 C ATOM 110 CE LYS A 17 5.187 -16.547 9.122 1.00 0.00 C ATOM 111 NZ LYS A 17 6.190 -17.510 8.624 1.00 0.00 N ATOM 0 HA LYS A 17 4.380 -12.864 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.362 -14.948 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.726 -14.246 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.700 -16.214 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.389 -16.522 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.002 -14.789 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.302 -14.659 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.466 -16.217 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.219 -17.042 9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.749 -17.873 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.707 -18.300 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.821 -17.035 7.947 1.00 0.00 H new ATOM 125 N SER A 18 2.595 -12.861 4.196 1.00 0.00 N ATOM 126 CA SER A 18 2.277 -12.062 3.023 1.00 0.00 C ATOM 127 C SER A 18 1.740 -10.675 3.441 1.00 0.00 C ATOM 128 O SER A 18 1.893 -9.737 2.715 1.00 0.00 O ATOM 129 CB SER A 18 1.304 -12.798 2.068 1.00 0.00 C ATOM 130 OG SER A 18 1.246 -12.187 0.769 1.00 0.00 O ATOM 0 H SER A 18 2.019 -13.695 4.314 1.00 0.00 H new ATOM 0 HA SER A 18 3.199 -11.908 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.617 -13.837 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.306 -12.808 2.507 1.00 0.00 H new ATOM 0 HG SER A 18 0.450 -11.619 0.710 1.00 0.00 H new ATOM 136 N LYS A 19 1.159 -10.569 4.647 1.00 0.00 N ATOM 137 CA LYS A 19 0.669 -9.295 5.192 1.00 0.00 C ATOM 138 C LYS A 19 1.827 -8.392 5.357 1.00 0.00 C ATOM 139 O LYS A 19 1.852 -7.339 4.767 1.00 0.00 O ATOM 140 CB LYS A 19 -0.006 -9.478 6.578 1.00 0.00 C ATOM 141 CG LYS A 19 -1.257 -10.305 6.647 1.00 0.00 C ATOM 142 CD LYS A 19 -2.444 -9.514 6.216 1.00 0.00 C ATOM 143 CE LYS A 19 -3.678 -10.327 6.368 1.00 0.00 C ATOM 144 NZ LYS A 19 -3.989 -10.622 7.780 1.00 0.00 N ATOM 0 H LYS A 19 1.016 -11.364 5.270 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.072 -8.889 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.727 -9.924 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.238 -8.488 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.151 -11.184 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.405 -10.663 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.522 -8.605 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.328 -9.205 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.517 -9.796 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.562 -11.263 5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.993 -10.880 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.398 -11.413 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.796 -9.781 8.361 1.00 0.00 H new ATOM 158 N GLU A 20 2.809 -8.834 6.114 1.00 0.00 N ATOM 159 CA GLU A 20 3.952 -8.020 6.368 1.00 0.00 C ATOM 160 C GLU A 20 4.777 -7.786 5.134 1.00 0.00 C ATOM 161 O GLU A 20 5.209 -6.682 4.913 1.00 0.00 O ATOM 162 CB GLU A 20 4.787 -8.512 7.538 1.00 0.00 C ATOM 163 CG GLU A 20 5.232 -9.948 7.463 1.00 0.00 C ATOM 164 CD GLU A 20 5.986 -10.340 8.687 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.384 -10.373 9.768 1.00 0.00 O ATOM 166 OE2 GLU A 20 7.204 -10.582 8.606 1.00 0.00 O ATOM 0 H GLU A 20 2.828 -9.752 6.558 1.00 0.00 H new ATOM 0 HA GLU A 20 3.561 -7.048 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.672 -7.880 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.212 -8.376 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.363 -10.596 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.860 -10.092 6.584 1.00 0.00 H new ATOM 173 N VAL A 21 4.938 -8.797 4.299 1.00 0.00 N ATOM 174 CA VAL A 21 5.721 -8.642 3.099 1.00 0.00 C ATOM 175 C VAL A 21 5.042 -7.646 2.178 1.00 0.00 C ATOM 176 O VAL A 21 5.676 -6.680 1.749 1.00 0.00 O ATOM 177 CB VAL A 21 6.003 -9.989 2.380 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.817 -9.771 1.123 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.753 -10.934 3.300 1.00 0.00 C ATOM 0 H VAL A 21 4.538 -9.726 4.433 1.00 0.00 H new ATOM 0 HA VAL A 21 6.699 -8.257 3.386 1.00 0.00 H new ATOM 0 HB VAL A 21 5.042 -10.428 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.001 -10.730 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.268 -9.119 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.769 -9.307 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.943 -11.873 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.701 -10.482 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.154 -11.126 4.190 1.00 0.00 H new ATOM 189 N PHE A 22 3.738 -7.820 1.967 1.00 0.00 N ATOM 190 CA PHE A 22 2.946 -6.901 1.147 1.00 0.00 C ATOM 191 C PHE A 22 2.980 -5.525 1.721 1.00 0.00 C ATOM 192 O PHE A 22 3.335 -4.576 1.023 1.00 0.00 O ATOM 193 CB PHE A 22 1.471 -7.375 1.038 1.00 0.00 C ATOM 194 CG PHE A 22 0.461 -6.258 0.759 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.434 -5.599 -0.448 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.432 -5.858 1.735 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.456 -4.573 -0.678 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.322 -4.836 1.502 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.339 -4.189 0.299 1.00 0.00 C ATOM 0 H PHE A 22 3.203 -8.596 2.356 1.00 0.00 H new ATOM 0 HA PHE A 22 3.386 -6.889 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.400 -8.118 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.194 -7.874 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.122 -5.891 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.431 -6.355 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.459 -4.068 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.014 -4.542 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.038 -3.386 0.120 1.00 0.00 H new ATOM 209 N ARG A 23 2.621 -5.398 2.997 1.00 0.00 N ATOM 210 CA ARG A 23 2.605 -4.079 3.591 1.00 0.00 C ATOM 211 C ARG A 23 3.978 -3.422 3.563 1.00 0.00 C ATOM 212 O ARG A 23 4.058 -2.228 3.412 1.00 0.00 O ATOM 213 CB ARG A 23 1.937 -4.046 4.973 1.00 0.00 C ATOM 214 CG ARG A 23 2.664 -4.770 6.076 1.00 0.00 C ATOM 215 CD ARG A 23 3.515 -3.871 6.949 1.00 0.00 C ATOM 216 NE ARG A 23 4.043 -4.638 8.080 1.00 0.00 N ATOM 217 CZ ARG A 23 5.169 -4.385 8.745 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.892 -3.297 8.464 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.557 -5.214 9.716 1.00 0.00 N ATOM 0 H ARG A 23 2.349 -6.164 3.613 1.00 0.00 H new ATOM 0 HA ARG A 23 1.964 -3.464 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.813 -3.005 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.938 -4.473 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.934 -5.282 6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.300 -5.538 5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.336 -3.453 6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.921 -3.032 7.312 1.00 0.00 H new ATOM 0 HE ARG A 23 3.496 -5.442 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.583 -2.653 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.753 -3.110 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.993 -6.033 9.943 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.418 -5.029 10.231 1.00 0.00 H new ATOM 233 N LYS A 24 5.056 -4.210 3.617 1.00 0.00 N ATOM 234 CA LYS A 24 6.382 -3.639 3.541 1.00 0.00 C ATOM 235 C LYS A 24 6.647 -3.060 2.171 1.00 0.00 C ATOM 236 O LYS A 24 6.977 -1.874 2.046 1.00 0.00 O ATOM 237 CB LYS A 24 7.473 -4.625 3.889 1.00 0.00 C ATOM 238 CG LYS A 24 7.572 -4.942 5.364 1.00 0.00 C ATOM 239 CD LYS A 24 8.666 -5.942 5.622 1.00 0.00 C ATOM 240 CE LYS A 24 10.058 -5.384 5.308 1.00 0.00 C ATOM 241 NZ LYS A 24 10.418 -4.246 6.189 1.00 0.00 N ATOM 0 H LYS A 24 5.028 -5.225 3.711 1.00 0.00 H new ATOM 0 HA LYS A 24 6.406 -2.845 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.300 -5.551 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.429 -4.227 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.768 -4.028 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.621 -5.337 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.630 -6.253 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.490 -6.832 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.799 -6.176 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.092 -5.061 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.427 -4.022 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.847 -3.415 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.233 -4.502 7.180 1.00 0.00 H new ATOM 255 N GLU A 25 6.419 -3.864 1.126 1.00 0.00 N ATOM 256 CA GLU A 25 6.704 -3.424 -0.211 1.00 0.00 C ATOM 257 C GLU A 25 5.756 -2.363 -0.687 1.00 0.00 C ATOM 258 O GLU A 25 6.144 -1.505 -1.468 1.00 0.00 O ATOM 259 CB GLU A 25 6.828 -4.569 -1.207 1.00 0.00 C ATOM 260 CG GLU A 25 5.946 -5.756 -1.003 1.00 0.00 C ATOM 261 CD GLU A 25 6.228 -6.812 -2.042 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.990 -6.554 -3.243 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.757 -7.894 -1.697 1.00 0.00 O ATOM 0 H GLU A 25 6.042 -4.809 1.196 1.00 0.00 H new ATOM 0 HA GLU A 25 7.690 -2.962 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.633 -4.172 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.862 -4.913 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.105 -6.167 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.901 -5.453 -1.059 1.00 0.00 H new ATOM 270 N MET A 26 4.542 -2.395 -0.201 1.00 0.00 N ATOM 271 CA MET A 26 3.561 -1.387 -0.540 1.00 0.00 C ATOM 272 C MET A 26 3.887 -0.086 0.165 1.00 0.00 C ATOM 273 O MET A 26 3.761 0.951 -0.418 1.00 0.00 O ATOM 274 CB MET A 26 2.179 -1.845 -0.169 1.00 0.00 C ATOM 275 CG MET A 26 1.057 -0.848 -0.483 1.00 0.00 C ATOM 276 SD MET A 26 -0.035 -1.306 -1.858 1.00 0.00 S ATOM 277 CE MET A 26 0.988 -1.191 -3.340 1.00 0.00 C ATOM 0 H MET A 26 4.203 -3.115 0.438 1.00 0.00 H new ATOM 0 HA MET A 26 3.591 -1.224 -1.617 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.970 -2.779 -0.691 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.160 -2.065 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.449 -0.718 0.413 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.507 0.120 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.548 -0.472 -4.031 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.991 -0.864 -3.065 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.044 -2.168 -3.820 1.00 0.00 H new ATOM 287 N SER A 27 4.344 -0.168 1.421 1.00 0.00 N ATOM 288 CA SER A 27 4.742 1.007 2.162 1.00 0.00 C ATOM 289 C SER A 27 5.857 1.665 1.431 1.00 0.00 C ATOM 290 O SER A 27 5.829 2.843 1.211 1.00 0.00 O ATOM 291 CB SER A 27 5.199 0.692 3.602 1.00 0.00 C ATOM 292 OG SER A 27 4.155 0.138 4.395 1.00 0.00 O ATOM 0 H SER A 27 4.443 -1.044 1.935 1.00 0.00 H new ATOM 0 HA SER A 27 3.871 1.657 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.036 -0.005 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.563 1.605 4.072 1.00 0.00 H new ATOM 0 HG SER A 27 4.215 -0.840 4.378 1.00 0.00 H new ATOM 298 N GLN A 28 6.790 0.862 0.968 1.00 0.00 N ATOM 299 CA GLN A 28 7.963 1.389 0.288 1.00 0.00 C ATOM 300 C GLN A 28 7.597 1.926 -1.085 1.00 0.00 C ATOM 301 O GLN A 28 8.100 2.969 -1.517 1.00 0.00 O ATOM 302 CB GLN A 28 9.055 0.323 0.200 1.00 0.00 C ATOM 303 CG GLN A 28 9.559 -0.129 1.569 1.00 0.00 C ATOM 304 CD GLN A 28 10.629 -1.190 1.488 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.669 -1.977 0.550 1.00 0.00 O ATOM 306 NE2 GLN A 28 11.497 -1.228 2.460 1.00 0.00 N ATOM 0 H GLN A 28 6.764 -0.155 1.047 1.00 0.00 H new ATOM 0 HA GLN A 28 8.356 2.222 0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.669 -0.540 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.892 0.715 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.952 0.734 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.720 -0.512 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.435 -0.557 3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.239 -1.928 2.454 1.00 0.00 H new ATOM 315 N PHE A 29 6.723 1.215 -1.756 1.00 0.00 N ATOM 316 CA PHE A 29 6.184 1.617 -3.041 1.00 0.00 C ATOM 317 C PHE A 29 5.455 2.958 -2.906 1.00 0.00 C ATOM 318 O PHE A 29 5.674 3.875 -3.688 1.00 0.00 O ATOM 319 CB PHE A 29 5.241 0.521 -3.542 1.00 0.00 C ATOM 320 CG PHE A 29 4.526 0.804 -4.810 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.138 0.599 -6.027 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.222 1.253 -4.786 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.458 0.840 -7.191 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.545 1.485 -5.942 1.00 0.00 C ATOM 325 CZ PHE A 29 3.155 1.283 -7.136 1.00 0.00 C ATOM 0 H PHE A 29 6.357 0.324 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 29 6.989 1.749 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.818 -0.395 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.500 0.325 -2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.158 0.247 -6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.733 1.422 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.940 0.684 -8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.522 1.830 -5.909 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.614 1.471 -8.052 1.00 0.00 H new ATOM 335 N ILE A 30 4.611 3.055 -1.903 1.00 0.00 N ATOM 336 CA ILE A 30 3.869 4.262 -1.608 1.00 0.00 C ATOM 337 C ILE A 30 4.798 5.371 -1.207 1.00 0.00 C ATOM 338 O ILE A 30 4.634 6.493 -1.657 1.00 0.00 O ATOM 339 CB ILE A 30 2.791 4.022 -0.537 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.701 3.134 -1.141 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.219 5.349 -0.031 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.682 2.643 -0.161 1.00 0.00 C ATOM 0 H ILE A 30 4.418 2.287 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 30 3.352 4.563 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 30 3.228 3.520 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.191 3.691 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.173 2.274 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.459 5.153 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.019 5.947 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.771 5.893 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.050 2.022 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.175 2.055 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.178 3.494 0.297 1.00 0.00 H new ATOM 354 N VAL A 31 5.770 5.060 -0.367 1.00 0.00 N ATOM 355 CA VAL A 31 6.822 6.019 -0.025 1.00 0.00 C ATOM 356 C VAL A 31 7.429 6.615 -1.299 1.00 0.00 C ATOM 357 O VAL A 31 7.494 7.832 -1.445 1.00 0.00 O ATOM 358 CB VAL A 31 7.925 5.358 0.870 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.198 6.196 0.938 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.385 5.168 2.280 1.00 0.00 C ATOM 0 H VAL A 31 5.858 4.154 0.093 1.00 0.00 H new ATOM 0 HA VAL A 31 6.374 6.826 0.555 1.00 0.00 H new ATOM 0 HB VAL A 31 8.179 4.400 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.931 5.694 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.607 6.318 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.967 7.175 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.151 4.708 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.110 6.136 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.507 4.523 2.249 1.00 0.00 H new ATOM 370 N GLN A 32 7.778 5.749 -2.240 1.00 0.00 N ATOM 371 CA GLN A 32 8.345 6.137 -3.521 1.00 0.00 C ATOM 372 C GLN A 32 7.353 6.993 -4.314 1.00 0.00 C ATOM 373 O GLN A 32 7.724 7.949 -4.998 1.00 0.00 O ATOM 374 CB GLN A 32 8.673 4.861 -4.288 1.00 0.00 C ATOM 375 CG GLN A 32 9.277 5.057 -5.651 1.00 0.00 C ATOM 376 CD GLN A 32 10.589 5.826 -5.650 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.371 5.783 -4.695 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.833 6.535 -6.714 1.00 0.00 N ATOM 0 H GLN A 32 7.673 4.740 -2.131 1.00 0.00 H new ATOM 0 HA GLN A 32 9.245 6.733 -3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.361 4.265 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.758 4.279 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.442 4.080 -6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.561 5.585 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.164 6.547 -7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.693 7.079 -6.778 1.00 0.00 H new ATOM 387 N CYS A 33 6.099 6.623 -4.221 1.00 0.00 N ATOM 388 CA CYS A 33 5.021 7.329 -4.864 1.00 0.00 C ATOM 389 C CYS A 33 4.817 8.720 -4.275 1.00 0.00 C ATOM 390 O CYS A 33 4.501 9.650 -4.995 1.00 0.00 O ATOM 391 CB CYS A 33 3.734 6.524 -4.763 1.00 0.00 C ATOM 392 SG CYS A 33 3.775 4.949 -5.641 1.00 0.00 S ATOM 0 H CYS A 33 5.795 5.809 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 33 5.291 7.454 -5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.519 6.335 -3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.912 7.124 -5.154 1.00 0.00 H new ATOM 0 HG CYS A 33 4.548 4.118 -5.007 1.00 0.00 H new ATOM 398 N LEU A 34 4.993 8.832 -2.981 1.00 0.00 N ATOM 399 CA LEU A 34 4.861 10.091 -2.260 1.00 0.00 C ATOM 400 C LEU A 34 6.108 10.956 -2.384 1.00 0.00 C ATOM 401 O LEU A 34 6.057 12.158 -2.121 1.00 0.00 O ATOM 402 CB LEU A 34 4.547 9.849 -0.793 1.00 0.00 C ATOM 403 CG LEU A 34 3.239 9.142 -0.485 1.00 0.00 C ATOM 404 CD1 LEU A 34 3.105 8.944 1.005 1.00 0.00 C ATOM 405 CD2 LEU A 34 2.059 9.930 -1.013 1.00 0.00 C ATOM 0 H LEU A 34 5.236 8.043 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 34 4.031 10.629 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.360 9.264 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.542 10.812 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 34 3.247 8.171 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.165 8.436 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.936 8.339 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.117 9.913 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.135 9.402 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.042 10.915 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.150 10.041 -2.093 1.00 0.00 H new ATOM 417 N ASN A 35 7.246 10.333 -2.730 1.00 0.00 N ATOM 418 CA ASN A 35 8.511 11.074 -3.018 1.00 0.00 C ATOM 419 C ASN A 35 8.327 12.392 -3.795 1.00 0.00 C ATOM 420 O ASN A 35 8.802 13.427 -3.348 1.00 0.00 O ATOM 421 CB ASN A 35 9.566 10.201 -3.716 1.00 0.00 C ATOM 422 CG ASN A 35 10.414 9.504 -2.749 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.597 9.242 -2.989 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.838 9.180 -1.663 1.00 0.00 N ATOM 0 H ASN A 35 7.329 9.320 -2.820 1.00 0.00 H new ATOM 0 HA ASN A 35 8.873 11.344 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.070 9.472 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.185 10.824 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.356 8.680 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.858 9.420 -1.514 1.00 0.00 H new ATOM 431 N PRO A 36 7.618 12.400 -4.963 1.00 0.00 N ATOM 432 CA PRO A 36 7.403 13.634 -5.731 1.00 0.00 C ATOM 433 C PRO A 36 6.451 14.633 -5.047 1.00 0.00 C ATOM 434 O PRO A 36 6.415 15.808 -5.409 1.00 0.00 O ATOM 435 CB PRO A 36 6.804 13.144 -7.056 1.00 0.00 C ATOM 436 CG PRO A 36 6.182 11.835 -6.732 1.00 0.00 C ATOM 437 CD PRO A 36 7.030 11.229 -5.658 1.00 0.00 C ATOM 0 HA PRO A 36 8.336 14.186 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.066 13.848 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.572 13.038 -7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.155 11.965 -6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.147 11.191 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.437 10.618 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.802 10.583 -6.076 1.00 0.00 H new ATOM 445 N TYR A 37 5.720 14.184 -4.061 1.00 0.00 N ATOM 446 CA TYR A 37 4.751 15.038 -3.395 1.00 0.00 C ATOM 447 C TYR A 37 5.377 15.814 -2.261 1.00 0.00 C ATOM 448 O TYR A 37 4.890 16.865 -1.883 1.00 0.00 O ATOM 449 CB TYR A 37 3.551 14.235 -2.893 1.00 0.00 C ATOM 450 CG TYR A 37 2.724 13.592 -3.985 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.097 12.389 -4.542 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.558 14.187 -4.439 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.349 11.788 -5.524 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.792 13.608 -5.419 1.00 0.00 C ATOM 455 CZ TYR A 37 1.189 12.401 -5.966 1.00 0.00 C ATOM 456 OH TYR A 37 0.427 11.803 -6.953 1.00 0.00 O ATOM 0 H TYR A 37 5.771 13.233 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 37 4.397 15.754 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.908 13.456 -2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.909 14.893 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.000 11.907 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.245 15.128 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.663 10.845 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.112 14.090 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 37 0.526 10.830 -6.898 1.00 0.00 H new ATOM 466 N ARG A 38 6.466 15.314 -1.732 1.00 0.00 N ATOM 467 CA ARG A 38 7.128 15.992 -0.610 1.00 0.00 C ATOM 468 C ARG A 38 8.118 17.035 -1.114 1.00 0.00 C ATOM 469 O ARG A 38 8.771 17.733 -0.324 1.00 0.00 O ATOM 470 CB ARG A 38 7.836 14.999 0.294 1.00 0.00 C ATOM 471 CG ARG A 38 8.962 14.283 -0.394 1.00 0.00 C ATOM 472 CD ARG A 38 9.700 13.369 0.544 1.00 0.00 C ATOM 473 NE ARG A 38 10.844 12.748 -0.117 1.00 0.00 N ATOM 474 CZ ARG A 38 11.490 11.660 0.311 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.141 11.075 1.461 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.506 11.177 -0.399 1.00 0.00 N ATOM 0 H ARG A 38 6.919 14.455 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 38 6.354 16.494 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.225 15.523 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.114 14.267 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.568 13.705 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.656 15.013 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.040 13.933 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.024 12.596 0.910 1.00 0.00 H new ATOM 0 HE ARG A 38 11.178 13.181 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.377 11.459 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.638 10.244 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.788 11.637 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.003 10.347 -0.078 1.00 0.00 H new ATOM 490 N LYS A 39 8.226 17.124 -2.422 1.00 0.00 N ATOM 491 CA LYS A 39 9.087 18.096 -3.054 1.00 0.00 C ATOM 492 C LYS A 39 8.475 19.465 -2.820 1.00 0.00 C ATOM 493 O LYS A 39 7.262 19.624 -2.959 1.00 0.00 O ATOM 494 CB LYS A 39 9.165 17.850 -4.569 1.00 0.00 C ATOM 495 CG LYS A 39 9.593 16.452 -4.975 1.00 0.00 C ATOM 496 CD LYS A 39 11.002 16.125 -4.543 1.00 0.00 C ATOM 497 CE LYS A 39 11.350 14.699 -4.928 1.00 0.00 C ATOM 498 NZ LYS A 39 12.716 14.319 -4.522 1.00 0.00 N ATOM 0 H LYS A 39 7.720 16.525 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 39 10.091 18.023 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.187 18.054 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.863 18.567 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.906 15.726 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.517 16.354 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.703 16.817 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.098 16.252 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.635 14.017 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.250 14.583 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.903 13.337 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.403 14.950 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.807 14.402 -3.489 1.00 0.00 H new ATOM 512 N PRO A 40 9.273 20.471 -2.486 1.00 0.00 N ATOM 513 CA PRO A 40 8.766 21.819 -2.199 1.00 0.00 C ATOM 514 C PRO A 40 8.089 22.503 -3.403 1.00 0.00 C ATOM 515 O PRO A 40 7.423 23.519 -3.253 1.00 0.00 O ATOM 516 CB PRO A 40 9.997 22.599 -1.754 1.00 0.00 C ATOM 517 CG PRO A 40 11.169 21.820 -2.243 1.00 0.00 C ATOM 518 CD PRO A 40 10.736 20.385 -2.319 1.00 0.00 C ATOM 0 HA PRO A 40 7.980 21.777 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.994 23.606 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.022 22.704 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.491 22.179 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.017 21.933 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.205 19.869 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.005 19.837 -1.416 1.00 0.00 H new ATOM 526 N ASP A 41 8.232 21.927 -4.574 1.00 0.00 N ATOM 527 CA ASP A 41 7.624 22.494 -5.768 1.00 0.00 C ATOM 528 C ASP A 41 6.515 21.567 -6.296 1.00 0.00 C ATOM 529 O ASP A 41 6.072 21.682 -7.434 1.00 0.00 O ATOM 530 CB ASP A 41 8.704 22.765 -6.823 1.00 0.00 C ATOM 531 CG ASP A 41 8.215 23.529 -8.033 1.00 0.00 C ATOM 532 OD1 ASP A 41 7.659 24.643 -7.874 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.399 23.049 -9.165 1.00 0.00 O ATOM 0 H ASP A 41 8.761 21.069 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 41 7.155 23.447 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.516 23.324 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.120 21.813 -7.153 1.00 0.00 H new ATOM 538 N CYS A 42 6.085 20.634 -5.440 1.00 0.00 N ATOM 539 CA CYS A 42 4.977 19.750 -5.763 1.00 0.00 C ATOM 540 C CYS A 42 3.733 20.571 -6.095 1.00 0.00 C ATOM 541 O CYS A 42 3.351 21.507 -5.351 1.00 0.00 O ATOM 542 CB CYS A 42 4.690 18.782 -4.631 1.00 0.00 C ATOM 543 SG CYS A 42 3.347 17.627 -4.968 1.00 0.00 S ATOM 0 H CYS A 42 6.493 20.477 -4.518 1.00 0.00 H new ATOM 0 HA CYS A 42 5.258 19.160 -6.636 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.596 18.215 -4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.448 19.351 -3.734 1.00 0.00 H new ATOM 0 HG CYS A 42 3.724 16.776 -5.876 1.00 0.00 H new ATOM 549 N LYS A 43 3.131 20.230 -7.208 1.00 0.00 N ATOM 550 CA LYS A 43 2.024 20.936 -7.752 1.00 0.00 C ATOM 551 C LYS A 43 0.724 20.594 -7.042 1.00 0.00 C ATOM 552 O LYS A 43 -0.119 21.470 -6.824 1.00 0.00 O ATOM 553 CB LYS A 43 1.926 20.576 -9.206 1.00 0.00 C ATOM 554 CG LYS A 43 0.944 21.398 -9.979 1.00 0.00 C ATOM 555 CD LYS A 43 0.899 20.998 -11.437 1.00 0.00 C ATOM 556 CE LYS A 43 2.136 21.427 -12.263 1.00 0.00 C ATOM 557 NZ LYS A 43 3.376 20.667 -11.950 1.00 0.00 N ATOM 0 H LYS A 43 3.416 19.427 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 43 2.182 22.006 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.910 20.683 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.648 19.525 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.048 21.286 -9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.210 22.452 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.795 19.915 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.008 21.431 -11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.909 21.309 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.321 22.488 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.893 20.468 -12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.977 21.230 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.126 19.771 -11.485 1.00 0.00 H new ATOM 571 N VAL A 44 0.569 19.352 -6.666 1.00 0.00 N ATOM 572 CA VAL A 44 -0.663 18.903 -6.057 1.00 0.00 C ATOM 573 C VAL A 44 -0.380 17.916 -4.937 1.00 0.00 C ATOM 574 O VAL A 44 0.350 16.950 -5.129 1.00 0.00 O ATOM 575 CB VAL A 44 -1.636 18.284 -7.119 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.027 17.092 -7.851 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.981 17.925 -6.501 1.00 0.00 C ATOM 0 H VAL A 44 1.281 18.629 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.159 19.774 -5.628 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.806 19.057 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.744 16.704 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.123 17.408 -8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.778 16.312 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.630 17.499 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.832 17.197 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.444 18.822 -6.091 1.00 0.00 H new ATOM 587 N GLY A 45 -0.937 18.187 -3.777 1.00 0.00 N ATOM 588 CA GLY A 45 -0.744 17.332 -2.635 1.00 0.00 C ATOM 589 C GLY A 45 0.682 17.410 -2.124 1.00 0.00 C ATOM 590 O GLY A 45 1.334 16.402 -1.933 1.00 0.00 O ATOM 0 H GLY A 45 -1.530 18.999 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.433 17.620 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.980 16.303 -2.904 1.00 0.00 H new ATOM 594 N ARG A 46 1.186 18.607 -1.926 1.00 0.00 N ATOM 595 CA ARG A 46 2.533 18.773 -1.451 1.00 0.00 C ATOM 596 C ARG A 46 2.622 18.463 0.032 1.00 0.00 C ATOM 597 O ARG A 46 1.963 19.111 0.865 1.00 0.00 O ATOM 598 CB ARG A 46 3.024 20.179 -1.740 1.00 0.00 C ATOM 599 CG ARG A 46 4.474 20.418 -1.375 1.00 0.00 C ATOM 600 CD ARG A 46 4.945 21.759 -1.892 1.00 0.00 C ATOM 601 NE ARG A 46 4.217 22.892 -1.314 1.00 0.00 N ATOM 602 CZ ARG A 46 3.783 23.953 -2.022 1.00 0.00 C ATOM 603 NH1 ARG A 46 3.878 23.957 -3.352 1.00 0.00 N ATOM 604 NH2 ARG A 46 3.223 24.985 -1.407 1.00 0.00 N ATOM 0 H ARG A 46 0.680 19.478 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 46 3.176 18.069 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.889 20.388 -2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.402 20.888 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.592 20.379 -0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.094 19.624 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.008 21.871 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.836 21.781 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 46 4.027 22.876 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.280 23.155 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.548 24.762 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.119 24.979 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.896 25.785 -1.948 1.00 0.00 H new ATOM 618 N ILE A 47 3.410 17.476 0.351 1.00 0.00 N ATOM 619 CA ILE A 47 3.598 17.041 1.706 1.00 0.00 C ATOM 620 C ILE A 47 4.408 18.058 2.493 1.00 0.00 C ATOM 621 O ILE A 47 5.544 18.386 2.149 1.00 0.00 O ATOM 622 CB ILE A 47 4.222 15.623 1.784 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.350 14.640 0.977 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.351 15.188 3.228 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.884 13.231 0.895 1.00 0.00 C ATOM 0 H ILE A 47 3.948 16.943 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 47 2.613 16.970 2.166 1.00 0.00 H new ATOM 0 HB ILE A 47 5.223 15.635 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.356 14.610 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.234 15.028 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.790 14.191 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.991 15.889 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.365 15.170 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.201 12.617 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.864 13.241 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.972 12.816 1.899 1.00 0.00 H new ATOM 637 N THR A 48 3.771 18.565 3.509 1.00 0.00 N ATOM 638 CA THR A 48 4.286 19.573 4.391 1.00 0.00 C ATOM 639 C THR A 48 5.565 19.160 5.111 1.00 0.00 C ATOM 640 O THR A 48 6.562 19.895 5.097 1.00 0.00 O ATOM 641 CB THR A 48 3.189 19.897 5.411 1.00 0.00 C ATOM 642 OG1 THR A 48 2.665 18.662 5.921 1.00 0.00 O ATOM 643 CG2 THR A 48 2.074 20.573 4.719 1.00 0.00 C ATOM 0 H THR A 48 2.827 18.270 3.758 1.00 0.00 H new ATOM 0 HA THR A 48 4.556 20.444 3.793 1.00 0.00 H new ATOM 0 HB THR A 48 3.601 20.522 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.186 18.384 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.288 20.807 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.435 21.495 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.674 19.917 3.946 1.00 0.00 H new ATOM 651 N THR A 49 5.544 18.002 5.721 1.00 0.00 N ATOM 652 CA THR A 49 6.674 17.574 6.527 1.00 0.00 C ATOM 653 C THR A 49 6.899 16.070 6.376 1.00 0.00 C ATOM 654 O THR A 49 6.018 15.351 5.933 1.00 0.00 O ATOM 655 CB THR A 49 6.410 17.894 8.028 1.00 0.00 C ATOM 656 OG1 THR A 49 5.764 19.173 8.149 1.00 0.00 O ATOM 657 CG2 THR A 49 7.710 17.942 8.827 1.00 0.00 C ATOM 0 H THR A 49 4.769 17.340 5.680 1.00 0.00 H new ATOM 0 HA THR A 49 7.559 18.109 6.184 1.00 0.00 H new ATOM 0 HB THR A 49 5.776 17.101 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.792 19.048 8.166 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.488 18.168 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.212 16.977 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.360 18.716 8.419 1.00 0.00 H new ATOM 665 N THR A 50 8.067 15.621 6.753 1.00 0.00 N ATOM 666 CA THR A 50 8.443 14.239 6.742 1.00 0.00 C ATOM 667 C THR A 50 7.517 13.411 7.640 1.00 0.00 C ATOM 668 O THR A 50 7.130 12.308 7.290 1.00 0.00 O ATOM 669 CB THR A 50 9.915 14.125 7.210 1.00 0.00 C ATOM 670 OG1 THR A 50 10.393 12.778 7.143 1.00 0.00 O ATOM 671 CG2 THR A 50 10.125 14.693 8.604 1.00 0.00 C ATOM 0 H THR A 50 8.809 16.235 7.089 1.00 0.00 H new ATOM 0 HA THR A 50 8.348 13.843 5.731 1.00 0.00 H new ATOM 0 HB THR A 50 10.499 14.729 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.325 12.746 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.173 14.589 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.850 15.748 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.503 14.150 9.316 1.00 0.00 H new ATOM 679 N GLU A 51 7.149 13.978 8.790 1.00 0.00 N ATOM 680 CA GLU A 51 6.203 13.340 9.715 1.00 0.00 C ATOM 681 C GLU A 51 4.872 13.092 9.013 1.00 0.00 C ATOM 682 O GLU A 51 4.248 12.036 9.185 1.00 0.00 O ATOM 683 CB GLU A 51 6.002 14.180 10.987 1.00 0.00 C ATOM 684 CG GLU A 51 5.563 15.615 10.713 1.00 0.00 C ATOM 685 CD GLU A 51 5.188 16.379 11.951 1.00 0.00 C ATOM 686 OE1 GLU A 51 4.007 16.359 12.338 1.00 0.00 O ATOM 687 OE2 GLU A 51 6.066 17.038 12.550 1.00 0.00 O ATOM 0 H GLU A 51 7.493 14.884 9.107 1.00 0.00 H new ATOM 0 HA GLU A 51 6.624 12.383 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.256 13.696 11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.934 14.196 11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.370 16.141 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.711 15.601 10.033 1.00 0.00 H new ATOM 694 N ASP A 52 4.499 14.024 8.165 1.00 0.00 N ATOM 695 CA ASP A 52 3.262 13.969 7.420 1.00 0.00 C ATOM 696 C ASP A 52 3.387 12.974 6.312 1.00 0.00 C ATOM 697 O ASP A 52 2.471 12.207 6.042 1.00 0.00 O ATOM 698 CB ASP A 52 2.974 15.335 6.831 1.00 0.00 C ATOM 699 CG ASP A 52 2.650 16.386 7.865 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.562 16.345 8.469 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.481 17.301 8.068 1.00 0.00 O ATOM 0 H ASP A 52 5.057 14.856 7.971 1.00 0.00 H new ATOM 0 HA ASP A 52 2.451 13.673 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.839 15.661 6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.139 15.252 6.136 1.00 0.00 H new ATOM 706 N PHE A 53 4.545 12.974 5.705 1.00 0.00 N ATOM 707 CA PHE A 53 4.908 12.033 4.665 1.00 0.00 C ATOM 708 C PHE A 53 4.764 10.594 5.214 1.00 0.00 C ATOM 709 O PHE A 53 4.126 9.741 4.598 1.00 0.00 O ATOM 710 CB PHE A 53 6.359 12.302 4.203 1.00 0.00 C ATOM 711 CG PHE A 53 6.916 11.308 3.232 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.533 10.155 3.681 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.822 11.523 1.882 1.00 0.00 C ATOM 714 CE1 PHE A 53 8.038 9.240 2.800 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.330 10.614 0.989 1.00 0.00 C ATOM 716 CZ PHE A 53 7.934 9.472 1.443 1.00 0.00 C ATOM 0 H PHE A 53 5.284 13.643 5.922 1.00 0.00 H new ATOM 0 HA PHE A 53 4.248 12.152 3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.400 13.292 3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.004 12.328 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.617 9.975 4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.342 12.419 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.515 8.342 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.254 10.799 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.329 8.753 0.740 1.00 0.00 H new ATOM 726 N LYS A 54 5.342 10.369 6.379 1.00 0.00 N ATOM 727 CA LYS A 54 5.293 9.085 7.056 1.00 0.00 C ATOM 728 C LYS A 54 3.879 8.712 7.429 1.00 0.00 C ATOM 729 O LYS A 54 3.456 7.569 7.224 1.00 0.00 O ATOM 730 CB LYS A 54 6.173 9.120 8.303 1.00 0.00 C ATOM 731 CG LYS A 54 7.657 9.221 7.981 1.00 0.00 C ATOM 732 CD LYS A 54 8.515 9.329 9.228 1.00 0.00 C ATOM 733 CE LYS A 54 8.328 8.140 10.163 1.00 0.00 C ATOM 734 NZ LYS A 54 9.232 8.210 11.323 1.00 0.00 N ATOM 0 H LYS A 54 5.865 11.081 6.889 1.00 0.00 H new ATOM 0 HA LYS A 54 5.669 8.327 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.883 9.969 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.995 8.220 8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.962 8.345 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.830 10.091 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.564 9.400 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.267 10.248 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.295 8.108 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.510 7.215 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.075 7.384 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.219 8.215 10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.042 9.080 11.860 1.00 0.00 H new ATOM 748 N HIS A 55 3.129 9.694 7.910 1.00 0.00 N ATOM 749 CA HIS A 55 1.735 9.508 8.310 1.00 0.00 C ATOM 750 C HIS A 55 0.939 9.069 7.111 1.00 0.00 C ATOM 751 O HIS A 55 0.201 8.095 7.174 1.00 0.00 O ATOM 752 CB HIS A 55 1.164 10.832 8.876 1.00 0.00 C ATOM 753 CG HIS A 55 -0.322 10.837 9.218 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.821 10.681 10.490 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.408 11.020 8.423 1.00 0.00 C ATOM 756 CE1 HIS A 55 -2.136 10.764 10.468 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.519 10.968 9.221 1.00 0.00 N ATOM 0 H HIS A 55 3.469 10.647 8.035 1.00 0.00 H new ATOM 0 HA HIS A 55 1.674 8.747 9.088 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.723 11.088 9.776 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.350 11.623 8.149 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.397 11.178 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.789 10.680 11.324 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.483 11.070 8.905 1.00 0.00 H new ATOM 765 N LEU A 56 1.097 9.775 6.035 1.00 0.00 N ATOM 766 CA LEU A 56 0.365 9.478 4.848 1.00 0.00 C ATOM 767 C LEU A 56 0.775 8.149 4.253 1.00 0.00 C ATOM 768 O LEU A 56 -0.095 7.381 3.850 1.00 0.00 O ATOM 769 CB LEU A 56 0.484 10.574 3.802 1.00 0.00 C ATOM 770 CG LEU A 56 -0.815 11.088 3.177 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.594 11.596 1.765 1.00 0.00 C ATOM 772 CD2 LEU A 56 -1.995 10.126 3.323 1.00 0.00 C ATOM 0 H LEU A 56 1.733 10.568 5.957 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.681 9.416 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.998 11.421 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.123 10.207 2.999 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.121 11.954 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.539 11.952 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.126 12.414 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.211 10.787 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.879 10.560 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.755 9.180 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.193 9.951 4.380 1.00 0.00 H new ATOM 784 N ALA A 57 2.081 7.853 4.219 1.00 0.00 N ATOM 785 CA ALA A 57 2.547 6.565 3.691 1.00 0.00 C ATOM 786 C ALA A 57 1.891 5.431 4.471 1.00 0.00 C ATOM 787 O ALA A 57 1.441 4.432 3.886 1.00 0.00 O ATOM 788 CB ALA A 57 4.060 6.455 3.694 1.00 0.00 C ATOM 0 H ALA A 57 2.821 8.475 4.544 1.00 0.00 H new ATOM 0 HA ALA A 57 2.248 6.492 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.355 5.485 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.484 7.246 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.430 6.555 4.714 1.00 0.00 H new ATOM 794 N ARG A 58 1.757 5.648 5.768 1.00 0.00 N ATOM 795 CA ARG A 58 1.083 4.694 6.664 1.00 0.00 C ATOM 796 C ARG A 58 -0.348 4.491 6.232 1.00 0.00 C ATOM 797 O ARG A 58 -0.776 3.365 5.895 1.00 0.00 O ATOM 798 CB ARG A 58 1.091 5.194 8.121 1.00 0.00 C ATOM 799 CG ARG A 58 2.425 5.114 8.814 1.00 0.00 C ATOM 800 CD ARG A 58 2.851 3.689 8.874 1.00 0.00 C ATOM 801 NE ARG A 58 4.084 3.478 9.628 1.00 0.00 N ATOM 802 CZ ARG A 58 4.665 2.286 9.820 1.00 0.00 C ATOM 803 NH1 ARG A 58 4.140 1.187 9.272 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.780 2.202 10.527 1.00 0.00 N ATOM 0 H ARG A 58 2.107 6.483 6.238 1.00 0.00 H new ATOM 0 HA ARG A 58 1.629 3.752 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.753 6.230 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.366 4.614 8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.165 5.707 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.353 5.529 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.054 3.099 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.988 3.316 7.859 1.00 0.00 H new ATOM 0 HE ARG A 58 4.535 4.296 10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.294 1.254 8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.585 0.281 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.196 3.044 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.224 1.295 10.674 1.00 0.00 H new ATOM 818 N LYS A 59 -1.047 5.593 6.206 1.00 0.00 N ATOM 819 CA LYS A 59 -2.459 5.668 5.871 1.00 0.00 C ATOM 820 C LYS A 59 -2.767 5.012 4.531 1.00 0.00 C ATOM 821 O LYS A 59 -3.706 4.233 4.412 1.00 0.00 O ATOM 822 CB LYS A 59 -2.878 7.139 5.828 1.00 0.00 C ATOM 823 CG LYS A 59 -2.832 7.853 7.178 1.00 0.00 C ATOM 824 CD LYS A 59 -4.141 7.756 7.940 1.00 0.00 C ATOM 825 CE LYS A 59 -5.207 8.573 7.237 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.479 8.602 7.952 1.00 0.00 N ATOM 0 H LYS A 59 -0.641 6.503 6.425 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.018 5.128 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.229 7.668 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.892 7.203 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.032 7.425 7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.586 8.903 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.455 6.715 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.006 8.117 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.847 9.594 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.368 8.165 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.164 9.176 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.843 7.633 8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.338 9.018 8.895 1.00 0.00 H new ATOM 840 N LEU A 60 -1.995 5.338 3.528 1.00 0.00 N ATOM 841 CA LEU A 60 -2.244 4.846 2.180 1.00 0.00 C ATOM 842 C LEU A 60 -1.959 3.383 2.046 1.00 0.00 C ATOM 843 O LEU A 60 -2.744 2.658 1.425 1.00 0.00 O ATOM 844 CB LEU A 60 -1.465 5.674 1.210 1.00 0.00 C ATOM 845 CG LEU A 60 -1.832 7.127 1.317 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.790 8.032 0.703 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.198 7.372 0.723 1.00 0.00 C ATOM 0 H LEU A 60 -1.180 5.946 3.611 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.306 4.949 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.398 5.551 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.653 5.323 0.195 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.868 7.377 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.104 9.071 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.163 7.888 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.676 7.791 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.448 8.429 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.195 7.084 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.939 6.779 1.259 1.00 0.00 H new ATOM 859 N THR A 61 -0.854 2.942 2.657 1.00 0.00 N ATOM 860 CA THR A 61 -0.505 1.522 2.651 1.00 0.00 C ATOM 861 C THR A 61 -1.631 0.745 3.261 1.00 0.00 C ATOM 862 O THR A 61 -2.041 -0.300 2.772 1.00 0.00 O ATOM 863 CB THR A 61 0.781 1.253 3.469 1.00 0.00 C ATOM 864 OG1 THR A 61 1.864 2.020 2.939 1.00 0.00 O ATOM 865 CG2 THR A 61 1.146 -0.228 3.437 1.00 0.00 C ATOM 0 H THR A 61 -0.195 3.541 3.155 1.00 0.00 H new ATOM 0 HA THR A 61 -0.330 1.216 1.619 1.00 0.00 H new ATOM 0 HB THR A 61 0.594 1.545 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.646 2.974 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.053 -0.392 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.331 -0.813 3.863 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.315 -0.539 2.406 1.00 0.00 H new ATOM 873 N HIS A 62 -2.164 1.316 4.291 1.00 0.00 N ATOM 874 CA HIS A 62 -3.204 0.695 5.034 1.00 0.00 C ATOM 875 C HIS A 62 -4.534 0.719 4.261 1.00 0.00 C ATOM 876 O HIS A 62 -5.277 -0.245 4.297 1.00 0.00 O ATOM 877 CB HIS A 62 -3.305 1.358 6.398 1.00 0.00 C ATOM 878 CG HIS A 62 -4.291 0.770 7.339 1.00 0.00 C ATOM 879 ND1 HIS A 62 -4.120 -0.450 7.947 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.467 1.249 7.783 1.00 0.00 C ATOM 881 CE1 HIS A 62 -5.137 -0.702 8.718 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.982 0.314 8.639 1.00 0.00 N ATOM 0 H HIS A 62 -1.886 2.233 4.641 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.968 -0.358 5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.322 1.327 6.868 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.555 2.409 6.251 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.919 2.193 7.515 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.269 -1.589 9.320 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.870 0.388 9.135 1.00 0.00 H new ATOM 890 N GLY A 63 -4.798 1.782 3.536 1.00 0.00 N ATOM 891 CA GLY A 63 -6.051 1.895 2.810 1.00 0.00 C ATOM 892 C GLY A 63 -6.166 0.945 1.637 1.00 0.00 C ATOM 893 O GLY A 63 -7.212 0.341 1.451 1.00 0.00 O ATOM 0 H GLY A 63 -4.169 2.578 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.876 1.710 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.160 2.918 2.449 1.00 0.00 H new ATOM 897 N VAL A 64 -5.089 0.776 0.866 1.00 0.00 N ATOM 898 CA VAL A 64 -5.119 -0.158 -0.294 1.00 0.00 C ATOM 899 C VAL A 64 -5.264 -1.572 0.233 1.00 0.00 C ATOM 900 O VAL A 64 -6.032 -2.392 -0.294 1.00 0.00 O ATOM 901 CB VAL A 64 -3.832 -0.057 -1.169 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.842 -1.093 -2.315 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.693 1.349 -1.733 1.00 0.00 C ATOM 0 H VAL A 64 -4.199 1.254 1.007 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.962 0.113 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.976 -0.275 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.930 -0.993 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.896 -2.098 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.707 -0.920 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.791 1.409 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.563 1.582 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.625 2.065 -0.914 1.00 0.00 H new ATOM 913 N MET A 65 -4.620 -1.770 1.349 1.00 0.00 N ATOM 914 CA MET A 65 -4.597 -3.022 2.049 1.00 0.00 C ATOM 915 C MET A 65 -6.006 -3.362 2.510 1.00 0.00 C ATOM 916 O MET A 65 -6.480 -4.473 2.307 1.00 0.00 O ATOM 917 CB MET A 65 -3.634 -2.913 3.210 1.00 0.00 C ATOM 918 CG MET A 65 -3.540 -4.100 4.095 1.00 0.00 C ATOM 919 SD MET A 65 -2.177 -3.896 5.248 1.00 0.00 S ATOM 920 CE MET A 65 -2.529 -5.217 6.350 1.00 0.00 C ATOM 0 H MET A 65 -4.079 -1.039 1.811 1.00 0.00 H new ATOM 0 HA MET A 65 -4.256 -3.827 1.398 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.641 -2.702 2.813 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.924 -2.055 3.817 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.474 -4.232 4.642 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.391 -4.999 3.497 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.777 -5.243 7.139 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.514 -5.069 6.792 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.514 -6.160 5.804 1.00 0.00 H new ATOM 930 N ASN A 66 -6.681 -2.373 3.078 1.00 0.00 N ATOM 931 CA ASN A 66 -8.058 -2.496 3.502 1.00 0.00 C ATOM 932 C ASN A 66 -8.978 -2.754 2.329 1.00 0.00 C ATOM 933 O ASN A 66 -9.867 -3.575 2.430 1.00 0.00 O ATOM 934 CB ASN A 66 -8.508 -1.247 4.233 1.00 0.00 C ATOM 935 CG ASN A 66 -7.978 -1.118 5.623 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.725 -2.107 6.319 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.812 0.087 6.053 1.00 0.00 N ATOM 0 H ASN A 66 -6.278 -1.453 3.257 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.113 -3.349 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.200 -0.374 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.597 -1.236 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.461 0.248 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.032 0.879 5.449 1.00 0.00 H new ATOM 944 N LYS A 67 -8.754 -2.061 1.221 1.00 0.00 N ATOM 945 CA LYS A 67 -9.582 -2.200 0.025 1.00 0.00 C ATOM 946 C LYS A 67 -9.572 -3.618 -0.465 1.00 0.00 C ATOM 947 O LYS A 67 -10.634 -4.230 -0.696 1.00 0.00 O ATOM 948 CB LYS A 67 -9.116 -1.266 -1.106 1.00 0.00 C ATOM 949 CG LYS A 67 -9.308 0.224 -0.850 1.00 0.00 C ATOM 950 CD LYS A 67 -10.779 0.619 -0.805 1.00 0.00 C ATOM 951 CE LYS A 67 -10.923 2.113 -0.573 1.00 0.00 C ATOM 952 NZ LYS A 67 -12.325 2.567 -0.636 1.00 0.00 N ATOM 0 H LYS A 67 -7.995 -1.387 1.123 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.597 -1.918 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.058 -1.451 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.652 -1.532 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.833 0.492 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.805 0.792 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.265 0.342 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.284 0.071 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.507 2.367 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.338 2.650 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.365 3.593 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.718 2.352 -1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.882 2.077 0.093 1.00 0.00 H new ATOM 966 N GLU A 68 -8.409 -4.176 -0.598 1.00 0.00 N ATOM 967 CA GLU A 68 -8.357 -5.480 -1.071 1.00 0.00 C ATOM 968 C GLU A 68 -8.744 -6.482 -0.042 1.00 0.00 C ATOM 969 O GLU A 68 -9.472 -7.383 -0.331 1.00 0.00 O ATOM 970 CB GLU A 68 -7.112 -5.760 -1.828 1.00 0.00 C ATOM 971 CG GLU A 68 -5.800 -5.460 -1.157 1.00 0.00 C ATOM 972 CD GLU A 68 -4.733 -5.552 -2.191 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.646 -4.613 -3.026 1.00 0.00 O ATOM 974 OE2 GLU A 68 -4.073 -6.606 -2.283 1.00 0.00 O ATOM 0 H GLU A 68 -7.512 -3.741 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.137 -5.591 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.116 -6.816 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.150 -5.192 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.817 -4.465 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.612 -6.168 -0.349 1.00 0.00 H new ATOM 981 N LEU A 69 -8.351 -6.291 1.169 1.00 0.00 N ATOM 982 CA LEU A 69 -8.813 -7.168 2.230 1.00 0.00 C ATOM 983 C LEU A 69 -10.338 -7.137 2.419 1.00 0.00 C ATOM 984 O LEU A 69 -10.899 -8.058 2.977 1.00 0.00 O ATOM 985 CB LEU A 69 -8.075 -6.945 3.544 1.00 0.00 C ATOM 986 CG LEU A 69 -6.606 -7.349 3.542 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.951 -7.005 4.866 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.469 -8.835 3.237 1.00 0.00 C ATOM 0 H LEU A 69 -7.718 -5.548 1.465 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.565 -8.176 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.144 -5.889 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.587 -7.502 4.328 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.093 -6.788 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.903 -7.302 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.019 -5.931 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.460 -7.534 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.415 -9.111 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.996 -9.412 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.898 -9.046 2.258 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.999 -6.076 2.004 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.445 -6.033 2.111 1.00 0.00 C ATOM 1002 C LYS A 70 -13.129 -6.582 0.847 1.00 0.00 C ATOM 1003 O LYS A 70 -14.278 -7.013 0.902 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.941 -4.626 2.452 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.812 -3.639 1.353 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.283 -2.247 1.709 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.781 -2.137 2.064 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.143 -2.648 3.421 1.00 0.00 N ATOM 0 H LYS A 70 -10.569 -5.246 1.597 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.725 -6.687 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.989 -4.687 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.388 -4.260 3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.767 -3.589 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.380 -3.994 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.697 -1.886 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.074 -1.583 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.081 -1.091 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.358 -2.685 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.604 -3.576 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.282 -2.744 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.795 -1.981 3.881 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.436 -6.542 -0.296 1.00 0.00 N ATOM 1023 CA TYR A 71 -13.006 -7.076 -1.563 1.00 0.00 C ATOM 1024 C TYR A 71 -12.560 -8.515 -1.832 1.00 0.00 C ATOM 1025 O TYR A 71 -13.259 -9.293 -2.481 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.600 -6.183 -2.762 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.079 -4.738 -2.673 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.951 -4.336 -1.678 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.640 -3.779 -3.573 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.373 -3.057 -1.565 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.063 -2.465 -3.470 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.931 -2.109 -2.458 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.356 -0.803 -2.339 1.00 0.00 O ATOM 0 H TYR A 71 -11.496 -6.155 -0.383 1.00 0.00 H new ATOM 0 HA TYR A 71 -14.090 -7.070 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.513 -6.186 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.994 -6.626 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.306 -5.068 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.960 -4.060 -4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.056 -2.780 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.717 -1.725 -4.176 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.950 -0.261 -3.047 1.00 0.00 H new ATOM 1043 N CYS A 72 -11.433 -8.853 -1.305 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.802 -10.148 -1.491 1.00 0.00 C ATOM 1045 C CYS A 72 -11.025 -10.962 -0.264 1.00 0.00 C ATOM 1046 O CYS A 72 -11.368 -12.147 -0.337 1.00 0.00 O ATOM 1047 CB CYS A 72 -9.299 -9.953 -1.687 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.848 -9.009 -3.152 1.00 0.00 S ATOM 0 H CYS A 72 -10.894 -8.225 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.225 -10.648 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.894 -9.450 -0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.823 -10.932 -1.742 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.935 -9.651 -3.818 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.788 -10.309 0.888 1.00 0.00 N ATOM 1055 CA LYS A 73 -10.989 -10.863 2.232 1.00 0.00 C ATOM 1056 C LYS A 73 -9.936 -11.885 2.610 1.00 0.00 C ATOM 1057 O LYS A 73 -9.398 -11.860 3.719 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.407 -11.387 2.386 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.438 -10.289 2.145 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.844 -10.812 2.120 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.226 -11.447 3.452 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.607 -11.952 3.466 1.00 0.00 N ATOM 0 H LYS A 73 -10.440 -9.350 0.906 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.861 -10.051 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.573 -12.204 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.538 -11.797 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.349 -9.534 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.222 -9.794 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.532 -9.998 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.946 -11.548 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.542 -12.267 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.104 -10.712 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.813 -12.373 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.266 -11.167 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.720 -12.674 2.726 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.633 -12.738 1.694 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.627 -13.737 1.855 1.00 0.00 C ATOM 1078 C ASN A 74 -7.304 -13.150 1.400 1.00 0.00 C ATOM 1079 O ASN A 74 -7.148 -12.787 0.236 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.988 -14.963 1.018 1.00 0.00 C ATOM 1081 CG ASN A 74 -10.289 -15.608 1.464 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.611 -15.649 2.657 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -11.074 -16.042 0.527 1.00 0.00 N ATOM 0 H ASN A 74 -10.091 -12.763 0.783 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.552 -14.046 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.070 -14.673 -0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.182 -15.694 1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.986 -16.431 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.779 -15.994 -0.448 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.325 -13.028 2.305 1.00 0.00 N ATOM 1091 CA PRO A 75 -5.015 -12.426 1.993 1.00 0.00 C ATOM 1092 C PRO A 75 -4.115 -13.265 1.133 1.00 0.00 C ATOM 1093 O PRO A 75 -2.945 -12.956 0.945 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.355 -12.263 3.296 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.040 -13.215 4.247 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.421 -13.432 3.721 1.00 0.00 C ATOM 0 HA PRO A 75 -5.187 -11.509 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.291 -12.487 3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.440 -11.235 3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.497 -14.158 4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.071 -12.800 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.728 -14.473 3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.154 -12.831 4.260 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.668 -14.277 0.601 1.00 0.00 N ATOM 1105 CA GLU A 76 -4.010 -15.173 -0.311 1.00 0.00 C ATOM 1106 C GLU A 76 -3.852 -14.443 -1.670 1.00 0.00 C ATOM 1107 O GLU A 76 -3.189 -14.909 -2.598 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.879 -16.410 -0.413 1.00 0.00 C ATOM 1109 CG GLU A 76 -4.323 -17.586 -1.167 1.00 0.00 C ATOM 1110 CD GLU A 76 -5.348 -18.675 -1.211 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.571 -19.343 -0.181 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -6.032 -18.817 -2.242 1.00 0.00 O ATOM 0 H GLU A 76 -5.638 -14.533 0.785 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.015 -15.470 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.115 -16.740 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.820 -16.123 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.049 -17.287 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.414 -17.946 -0.684 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.444 -13.272 -1.720 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.435 -12.397 -2.889 1.00 0.00 C ATOM 1121 C ASP A 77 -3.669 -11.124 -2.568 1.00 0.00 C ATOM 1122 O ASP A 77 -3.189 -10.419 -3.465 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.883 -12.039 -3.274 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.974 -11.036 -4.414 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.747 -11.407 -5.588 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.305 -9.871 -4.171 1.00 0.00 O ATOM 0 H ASP A 77 -4.962 -12.883 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.952 -12.911 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.411 -12.949 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.394 -11.633 -2.401 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.459 -10.916 -1.277 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.891 -9.735 -0.746 1.00 0.00 C ATOM 1133 C LEU A 78 -1.403 -9.779 -0.968 1.00 0.00 C ATOM 1134 O LEU A 78 -0.647 -10.451 -0.239 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.191 -9.686 0.731 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.751 -8.456 1.432 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.641 -7.282 1.090 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.618 -8.663 2.914 1.00 0.00 C ATOM 0 H LEU A 78 -3.696 -11.605 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.304 -8.850 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.267 -9.797 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.718 -10.544 1.209 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.751 -8.216 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.293 -6.395 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.607 -7.100 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.666 -7.503 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.294 -7.734 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.581 -8.961 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.882 -9.444 3.108 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.019 -9.142 -1.990 1.00 0.00 N ATOM 1151 CA GLU A 79 0.298 -9.097 -2.447 1.00 0.00 C ATOM 1152 C GLU A 79 0.508 -7.756 -3.061 1.00 0.00 C ATOM 1153 O GLU A 79 -0.388 -7.249 -3.694 1.00 0.00 O ATOM 1154 CB GLU A 79 0.385 -10.122 -3.526 1.00 0.00 C ATOM 1155 CG GLU A 79 1.697 -10.245 -4.170 1.00 0.00 C ATOM 1156 CD GLU A 79 2.745 -10.613 -3.187 1.00 0.00 C ATOM 1157 OE1 GLU A 79 2.863 -11.799 -2.838 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.460 -9.718 -2.739 1.00 0.00 O ATOM 0 H GLU A 79 -1.660 -8.601 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 79 1.027 -9.273 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.112 -11.091 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.356 -9.885 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.650 -11.000 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.960 -9.302 -4.649 1.00 0.00 H new ATOM 1165 N CYS A 80 1.686 -7.211 -2.939 1.00 0.00 N ATOM 1166 CA CYS A 80 1.981 -5.938 -3.563 1.00 0.00 C ATOM 1167 C CYS A 80 2.366 -6.233 -4.981 1.00 0.00 C ATOM 1168 O CYS A 80 3.527 -6.190 -5.370 1.00 0.00 O ATOM 1169 CB CYS A 80 3.084 -5.139 -2.811 1.00 0.00 C ATOM 1170 SG CYS A 80 3.532 -3.542 -3.547 1.00 0.00 S ATOM 0 H CYS A 80 2.460 -7.621 -2.416 1.00 0.00 H new ATOM 0 HA CYS A 80 1.104 -5.291 -3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.749 -4.967 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.980 -5.757 -2.753 1.00 0.00 H new ATOM 0 HG CYS A 80 2.750 -3.295 -4.556 1.00 0.00 H new ATOM 1176 N ASN A 81 1.385 -6.635 -5.732 1.00 0.00 N ATOM 1177 CA ASN A 81 1.617 -7.081 -7.069 1.00 0.00 C ATOM 1178 C ASN A 81 1.318 -5.954 -8.010 1.00 0.00 C ATOM 1179 O ASN A 81 1.031 -4.863 -7.585 1.00 0.00 O ATOM 1180 CB ASN A 81 0.768 -8.288 -7.433 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.726 -7.940 -7.513 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.176 -7.427 -8.439 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.449 -8.221 -6.560 1.00 0.00 N ATOM 0 H ASN A 81 0.409 -6.662 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 81 2.660 -7.387 -7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.099 -8.688 -8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.918 -9.073 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.444 -7.999 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.054 -8.676 -5.737 1.00 0.00 H new ATOM 1190 N GLU A 82 1.295 -6.273 -9.263 1.00 0.00 N ATOM 1191 CA GLU A 82 1.067 -5.349 -10.352 1.00 0.00 C ATOM 1192 C GLU A 82 -0.274 -4.643 -10.198 1.00 0.00 C ATOM 1193 O GLU A 82 -0.344 -3.424 -10.183 1.00 0.00 O ATOM 1194 CB GLU A 82 1.002 -6.166 -11.568 1.00 0.00 C ATOM 1195 CG GLU A 82 2.238 -6.962 -11.861 1.00 0.00 C ATOM 1196 CD GLU A 82 2.019 -7.872 -13.017 1.00 0.00 C ATOM 1197 OE1 GLU A 82 1.229 -8.834 -12.879 1.00 0.00 O ATOM 1198 OE2 GLU A 82 2.623 -7.651 -14.082 1.00 0.00 O ATOM 0 H GLU A 82 1.441 -7.231 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 82 1.855 -4.596 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.158 -6.851 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.799 -5.513 -12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.068 -6.288 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.518 -7.544 -10.983 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.310 -5.462 -10.076 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.689 -5.056 -9.853 1.00 0.00 C ATOM 1207 C ASN A 83 -2.715 -4.117 -8.698 1.00 0.00 C ATOM 1208 O ASN A 83 -3.208 -2.985 -8.806 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.549 -6.303 -9.479 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.992 -5.974 -9.116 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.575 -5.029 -9.625 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.570 -6.750 -8.236 1.00 0.00 N ATOM 0 H ASN A 83 -1.206 -6.475 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.085 -4.588 -10.754 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.546 -6.999 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.081 -6.815 -8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.535 -6.574 -7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.056 -7.531 -7.829 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.107 -4.554 -7.606 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.126 -3.755 -6.398 1.00 0.00 C ATOM 1221 C VAL A 84 -1.388 -2.442 -6.580 1.00 0.00 C ATOM 1222 O VAL A 84 -1.921 -1.379 -6.251 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.622 -4.542 -5.210 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.568 -3.709 -3.962 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.528 -5.685 -4.989 1.00 0.00 C ATOM 0 H VAL A 84 -1.605 -5.439 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.164 -3.497 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.608 -4.877 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.200 -4.316 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.898 -2.864 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.567 -3.342 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.180 -6.265 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.535 -5.318 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.539 -6.317 -5.877 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.205 -2.517 -7.160 1.00 0.00 N ATOM 1236 CA LYS A 85 0.603 -1.335 -7.444 1.00 0.00 C ATOM 1237 C LYS A 85 -0.169 -0.355 -8.258 1.00 0.00 C ATOM 1238 O LYS A 85 -0.277 0.793 -7.882 1.00 0.00 O ATOM 1239 CB LYS A 85 1.882 -1.700 -8.171 1.00 0.00 C ATOM 1240 CG LYS A 85 2.797 -2.505 -7.322 1.00 0.00 C ATOM 1241 CD LYS A 85 3.998 -2.991 -8.068 1.00 0.00 C ATOM 1242 CE LYS A 85 4.662 -4.015 -7.219 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.886 -4.579 -7.810 1.00 0.00 N ATOM 0 H LYS A 85 0.227 -3.395 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 85 0.865 -0.883 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.638 -2.261 -9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.390 -0.790 -8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.121 -1.904 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.254 -3.360 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.707 -3.418 -9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.679 -2.166 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.908 -3.569 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.958 -4.824 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.292 -5.284 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.656 -5.034 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.577 -3.818 -7.970 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.768 -0.857 -9.317 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.570 -0.070 -10.258 1.00 0.00 C ATOM 1259 C HIS A 86 -2.615 0.735 -9.490 1.00 0.00 C ATOM 1260 O HIS A 86 -2.665 1.997 -9.560 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.244 -1.023 -11.281 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.187 -0.374 -12.261 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.417 -0.904 -12.577 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -3.064 0.743 -13.011 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -5.009 -0.148 -13.471 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.211 0.862 -13.755 1.00 0.00 N ATOM 0 H HIS A 86 -0.716 -1.846 -9.562 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.931 0.627 -10.801 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.462 -1.534 -11.843 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.792 -1.787 -10.730 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.220 1.417 -13.023 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.984 -0.323 -13.901 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.413 1.610 -14.419 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.369 0.004 -8.685 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.456 0.562 -7.884 1.00 0.00 C ATOM 1276 C LYS A 87 -3.926 1.599 -6.953 1.00 0.00 C ATOM 1277 O LYS A 87 -4.513 2.643 -6.798 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.152 -0.490 -7.067 1.00 0.00 C ATOM 1279 CG LYS A 87 -5.928 -1.509 -7.844 1.00 0.00 C ATOM 1280 CD LYS A 87 -5.913 -2.821 -7.104 1.00 0.00 C ATOM 1281 CE LYS A 87 -6.499 -2.733 -5.691 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.353 -4.004 -4.926 1.00 0.00 N ATOM 0 H LYS A 87 -3.246 -1.001 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.172 0.997 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.406 -1.010 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.831 0.005 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.954 -1.170 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.494 -1.634 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.475 -3.558 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.886 -3.182 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.005 -1.928 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.555 -2.472 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.278 -4.287 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.997 -4.750 -5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.682 -3.863 -4.144 1.00 0.00 H new ATOM 1296 N THR A 88 -2.789 1.328 -6.436 1.00 0.00 N ATOM 1297 CA THR A 88 -2.223 2.079 -5.417 1.00 0.00 C ATOM 1298 C THR A 88 -1.737 3.397 -5.889 1.00 0.00 C ATOM 1299 O THR A 88 -2.249 4.395 -5.473 1.00 0.00 O ATOM 1300 CB THR A 88 -1.111 1.290 -4.810 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.668 0.195 -4.122 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.270 2.138 -3.913 1.00 0.00 C ATOM 0 H THR A 88 -2.213 0.540 -6.734 1.00 0.00 H new ATOM 0 HA THR A 88 -2.990 2.288 -4.671 1.00 0.00 H new ATOM 0 HB THR A 88 -0.448 0.924 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.744 -0.569 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.531 1.534 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.161 2.959 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.887 2.541 -3.110 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.810 3.398 -6.800 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.267 4.634 -7.281 1.00 0.00 C ATOM 1312 C LYS A 89 -1.321 5.519 -7.936 1.00 0.00 C ATOM 1313 O LYS A 89 -1.307 6.742 -7.761 1.00 0.00 O ATOM 1314 CB LYS A 89 0.994 4.407 -8.130 1.00 0.00 C ATOM 1315 CG LYS A 89 0.953 3.166 -8.980 1.00 0.00 C ATOM 1316 CD LYS A 89 0.090 3.278 -10.164 1.00 0.00 C ATOM 1317 CE LYS A 89 0.846 3.953 -11.310 1.00 0.00 C ATOM 1318 NZ LYS A 89 0.075 4.030 -12.560 1.00 0.00 N ATOM 0 H LYS A 89 -0.414 2.559 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 89 0.067 5.208 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.143 5.272 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.858 4.352 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.966 2.926 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.608 2.332 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.245 2.288 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.802 3.854 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.128 4.961 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.770 3.406 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.689 4.372 -13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.288 3.086 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.722 4.686 -12.436 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.279 4.893 -8.635 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.400 5.672 -9.193 1.00 0.00 C ATOM 1334 C GLU A 90 -4.324 6.202 -8.092 1.00 0.00 C ATOM 1335 O GLU A 90 -4.834 7.352 -8.168 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.195 4.888 -10.216 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.425 4.603 -11.485 1.00 0.00 C ATOM 1338 CD GLU A 90 -2.821 5.862 -12.076 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -3.564 6.742 -12.541 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -1.585 6.003 -12.054 1.00 0.00 O ATOM 0 H GLU A 90 -2.306 3.891 -8.824 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.952 6.523 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.512 3.944 -9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.099 5.443 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.633 3.885 -11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.089 4.141 -12.216 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.493 5.411 -7.042 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.328 5.808 -5.921 1.00 0.00 C ATOM 1349 C TYR A 91 -4.669 6.956 -5.238 1.00 0.00 C ATOM 1350 O TYR A 91 -5.303 7.931 -4.953 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.554 4.643 -4.937 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.939 5.051 -3.533 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.189 5.579 -3.238 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.030 4.891 -2.499 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.515 5.940 -1.945 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.338 5.244 -1.217 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.585 5.772 -0.934 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.908 6.129 0.366 1.00 0.00 O ATOM 0 H TYR A 91 -4.063 4.491 -6.944 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.312 6.100 -6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.335 3.997 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.642 4.048 -4.888 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.914 5.709 -4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.055 4.477 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.489 6.351 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.612 5.112 -0.428 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.146 5.947 0.954 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.374 6.812 -5.002 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.538 7.852 -4.401 1.00 0.00 C ATOM 1370 C ILE A 92 -2.706 9.162 -5.117 1.00 0.00 C ATOM 1371 O ILE A 92 -2.987 10.166 -4.471 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.045 7.472 -4.443 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.766 6.190 -3.644 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.174 8.642 -3.968 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.532 6.375 -2.205 1.00 0.00 C ATOM 0 H ILE A 92 -2.862 5.958 -5.224 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.862 7.949 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.780 7.261 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.610 5.513 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.106 5.698 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.876 8.352 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.336 9.503 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.442 8.903 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.346 5.407 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.333 7.021 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.410 6.834 -1.750 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.518 9.150 -6.433 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.679 10.355 -7.226 1.00 0.00 C ATOM 1389 C LYS A 93 -4.010 10.980 -6.927 1.00 0.00 C ATOM 1390 O LYS A 93 -4.080 12.086 -6.353 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.593 10.046 -8.714 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.243 9.560 -9.172 1.00 0.00 C ATOM 1393 CD LYS A 93 -1.299 9.142 -10.618 1.00 0.00 C ATOM 1394 CE LYS A 93 0.045 8.654 -11.099 1.00 0.00 C ATOM 1395 NZ LYS A 93 -0.039 8.128 -12.463 1.00 0.00 N ATOM 0 H LYS A 93 -2.255 8.322 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.875 11.044 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.340 9.291 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.852 10.944 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.502 10.349 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.924 8.720 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.041 8.353 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.623 9.984 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.765 9.472 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.414 7.877 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.893 8.196 -12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.338 7.132 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.732 8.682 -13.007 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.053 10.192 -7.123 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.401 10.709 -7.014 1.00 0.00 C ATOM 1411 C LYS A 94 -6.646 11.200 -5.604 1.00 0.00 C ATOM 1412 O LYS A 94 -7.299 12.222 -5.388 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.448 9.654 -7.387 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.881 10.145 -7.240 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.887 9.010 -7.262 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.290 9.550 -7.058 1.00 0.00 C ATOM 1417 NZ LYS A 94 -12.292 8.482 -6.878 1.00 0.00 N ATOM 0 H LYS A 94 -4.991 9.201 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.499 11.536 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.284 9.339 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.307 8.775 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.979 10.696 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.107 10.843 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.828 8.480 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.650 8.289 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.300 10.203 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.568 10.162 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.232 8.907 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.305 7.873 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.046 7.913 -6.043 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.092 10.489 -4.668 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.226 10.807 -3.317 1.00 0.00 C ATOM 1433 C TYR A 95 -5.582 12.150 -2.994 1.00 0.00 C ATOM 1434 O TYR A 95 -6.193 12.995 -2.416 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.617 9.695 -2.512 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.527 10.014 -1.073 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.652 9.986 -0.263 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.333 10.406 -0.529 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.570 10.326 1.055 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.247 10.747 0.770 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.361 10.707 1.569 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.260 11.069 2.880 1.00 0.00 O ATOM 0 H TYR A 95 -5.527 9.659 -4.848 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.282 10.907 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.211 8.790 -2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.620 9.479 -2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.604 9.692 -0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.450 10.442 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.447 10.295 1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.298 11.053 1.185 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.057 10.279 3.423 1.00 0.00 H new ATOM 1452 N MET A 96 -4.364 12.342 -3.393 1.00 0.00 N ATOM 1453 CA MET A 96 -3.678 13.562 -3.090 1.00 0.00 C ATOM 1454 C MET A 96 -4.285 14.755 -3.797 1.00 0.00 C ATOM 1455 O MET A 96 -4.082 15.899 -3.380 1.00 0.00 O ATOM 1456 CB MET A 96 -2.213 13.431 -3.371 1.00 0.00 C ATOM 1457 CG MET A 96 -1.605 12.238 -2.644 1.00 0.00 C ATOM 1458 SD MET A 96 0.085 12.441 -2.167 1.00 0.00 S ATOM 1459 CE MET A 96 -0.099 13.858 -1.128 1.00 0.00 C ATOM 0 H MET A 96 -3.821 11.667 -3.932 1.00 0.00 H new ATOM 0 HA MET A 96 -3.799 13.748 -2.023 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.057 13.322 -4.444 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.701 14.343 -3.065 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.197 12.034 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.683 11.361 -3.286 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.799 13.985 -0.523 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.249 14.744 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.961 13.721 -0.475 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.071 14.484 -4.839 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.746 15.561 -5.563 1.00 0.00 C ATOM 1471 C GLN A 97 -6.797 16.252 -4.690 1.00 0.00 C ATOM 1472 O GLN A 97 -7.213 17.374 -4.981 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.399 15.083 -6.865 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.505 14.265 -7.776 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.127 14.851 -7.983 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.893 15.653 -8.887 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.193 14.399 -7.173 1.00 0.00 N ATOM 0 H GLN A 97 -5.254 13.546 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.966 16.277 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.277 14.487 -6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.752 15.955 -7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.402 13.262 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.992 14.160 -8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.434 13.735 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.229 14.713 -7.281 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.218 15.589 -3.616 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.247 16.141 -2.759 1.00 0.00 C ATOM 1488 C LYS A 98 -7.711 17.186 -1.804 1.00 0.00 C ATOM 1489 O LYS A 98 -8.452 18.046 -1.375 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.003 15.011 -2.023 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.236 14.270 -0.948 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.225 14.950 0.433 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.617 15.243 0.990 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.207 16.521 0.515 1.00 0.00 N ATOM 0 H LYS A 98 -6.863 14.678 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.960 16.663 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.897 15.439 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.337 14.285 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.663 13.273 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.206 14.142 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.690 14.313 1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.669 15.885 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.284 14.425 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.564 15.263 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.507 17.090 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.497 17.049 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.030 16.320 -0.088 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.427 17.097 -1.464 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.833 18.046 -0.519 1.00 0.00 C ATOM 1510 C PHE A 99 -5.652 19.412 -1.165 1.00 0.00 C ATOM 1511 O PHE A 99 -5.767 20.454 -0.512 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.488 17.549 0.029 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.553 16.309 0.881 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.243 16.307 2.098 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.908 15.144 0.477 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.287 15.152 2.876 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.956 14.004 1.254 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.651 14.013 2.445 1.00 0.00 C ATOM 0 H PHE A 99 -5.784 16.390 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.526 18.133 0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.822 17.356 -0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.037 18.349 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.743 17.203 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.363 15.132 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.820 15.152 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.450 13.107 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.696 13.116 3.045 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.362 19.398 -2.441 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.188 20.596 -3.175 1.00 0.00 C ATOM 1530 C GLY A 100 -3.748 20.840 -3.443 1.00 0.00 C ATOM 1531 O GLY A 100 -3.059 19.983 -3.985 1.00 0.00 O ATOM 0 H GLY A 100 -5.242 18.546 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.733 20.534 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.607 21.434 -2.618 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.279 21.961 -3.021 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.905 22.332 -3.229 1.00 0.00 C ATOM 1537 C ALA A 101 -1.017 21.630 -2.220 1.00 0.00 C ATOM 1538 O ALA A 101 0.013 21.066 -2.573 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.751 23.836 -3.133 1.00 0.00 C ATOM 0 H ALA A 101 -3.831 22.656 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.599 22.021 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.707 24.106 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.369 24.314 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.066 24.172 -2.145 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.436 21.625 -0.981 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.684 21.021 0.071 1.00 0.00 C ATOM 1547 C VAL A 102 -1.467 19.940 0.755 1.00 0.00 C ATOM 1548 O VAL A 102 -2.694 19.973 0.791 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.190 22.025 1.107 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.147 22.592 0.729 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -1.193 23.148 1.323 1.00 0.00 C ATOM 0 H VAL A 102 -2.315 22.045 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 102 0.192 20.585 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.080 21.481 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.469 23.304 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.877 21.786 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.068 23.099 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.806 23.843 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.356 23.676 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.137 22.730 1.673 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.745 19.006 1.308 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.279 17.885 1.980 1.00 0.00 C ATOM 1563 C TYR A 103 -1.690 18.272 3.386 1.00 0.00 C ATOM 1564 O TYR A 103 -0.862 18.618 4.228 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.250 16.739 1.943 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.438 15.643 2.961 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.665 15.127 3.231 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.636 15.143 3.651 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.840 14.159 4.168 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.478 14.156 4.589 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.765 13.676 4.846 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.946 12.707 5.803 1.00 0.00 O ATOM 0 H TYR A 103 0.275 19.018 1.295 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.181 17.529 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.271 16.291 0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.744 17.166 2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.523 15.495 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.623 15.533 3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.828 13.775 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.334 13.764 5.118 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.080 12.468 6.195 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.965 18.243 3.602 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.554 18.559 4.860 1.00 0.00 C ATOM 1584 C LYS A 104 -4.460 17.414 5.330 1.00 0.00 C ATOM 1585 O LYS A 104 -5.646 17.380 5.038 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.272 19.885 4.751 1.00 0.00 C ATOM 1587 CG LYS A 104 -5.184 20.022 3.555 1.00 0.00 C ATOM 1588 CD LYS A 104 -5.785 21.417 3.450 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.804 22.489 2.943 1.00 0.00 C ATOM 1590 NZ LYS A 104 -3.723 22.834 3.899 1.00 0.00 N ATOM 0 H LYS A 104 -3.645 17.991 2.885 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.785 18.667 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.860 20.038 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.529 20.681 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.625 19.799 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.986 19.287 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.644 21.381 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.157 21.715 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.353 22.140 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.364 23.393 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.510 23.850 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.030 22.609 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.869 22.285 3.671 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.881 16.434 6.048 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.570 15.169 6.429 1.00 0.00 C ATOM 1606 C PRO A 105 -5.822 15.376 7.271 1.00 0.00 C ATOM 1607 O PRO A 105 -6.651 14.487 7.397 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.519 14.378 7.198 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.482 15.380 7.589 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.502 16.476 6.555 1.00 0.00 C ATOM 0 HA PRO A 105 -4.936 14.653 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.952 13.897 8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.091 13.589 6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.692 15.783 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.497 14.915 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.263 17.446 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.776 16.295 5.762 1.00 0.00 H new