USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 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 -134:sc= -3.2 (180deg=-3.88!) USER MOD Set 1.2: A 80 CYS SG : rot -50:sc= -0.505 USER MOD Set 1.3: A 88 THR OG1 : rot 87:sc= -0.335 USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.143 X(o=-0.26,f=-0.0097) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.115 X(o=-0.26,f=-0.62) USER MOD Set 3.1: A 27 SER OG : rot 86:sc= 0.833 USER MOD Set 3.2: A 61 THR OG1 : rot 67:sc= 0.00606 USER MOD Set 4.1: A 59 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 95 TYR OH : rot 70:sc= 1.02 USER MOD Set 5.1: A 48 THR OG1 : rot 180:sc= -0.234 USER MOD Set 5.2: A 49 THR OG1 : rot 109:sc= 0.0695 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00735) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.624 K(o=-0.62,f=-4.3!) USER MOD Single : A 32 GLN : amide:sc= -0.0656 K(o=-0.066,f=-0.62) USER MOD Single : A 33 CYS SG : rot 74:sc= 0.674 USER MOD Single : A 35 ASN : amide:sc= 1.81 K(o=1.8,f=-4.8!) USER MOD Single : A 37 TYR OH : rot -140:sc= -1.39 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -100:sc= -4.32! USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -0.0138 (180deg=-0.121) 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 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= -0.0204 (180deg=-0.157) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -119:sc= 1.26 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= -5.21! C(o=-5.2!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.029) 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+ -150:sc= -0.681! (180deg=-0.916!) USER MOD Single : A 89 LYS NZ :NH3+ 155:sc= -0.149 (180deg=-0.657) USER MOD Single : A 91 TYR OH : rot -77:sc= 0.673 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= -0.007 (180deg=-0.12) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 161:sc= -2.29 (180deg=-3.14!) USER MOD Single : A 97 GLN : amide:sc= -0.818 K(o=-0.82,f=-5.1!) USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= -2.59! (180deg=-3.89!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.784 -13.540 7.123 1.00 0.00 N ATOM 104 CA LYS A 17 3.975 -13.068 6.487 1.00 0.00 C ATOM 105 C LYS A 17 3.624 -12.211 5.280 1.00 0.00 C ATOM 106 O LYS A 17 4.199 -11.152 5.096 1.00 0.00 O ATOM 107 CB LYS A 17 4.953 -14.198 6.089 1.00 0.00 C ATOM 108 CG LYS A 17 5.746 -14.817 7.250 1.00 0.00 C ATOM 109 CD LYS A 17 4.926 -15.726 8.157 1.00 0.00 C ATOM 110 CE LYS A 17 4.573 -17.045 7.479 1.00 0.00 C ATOM 111 NZ LYS A 17 3.837 -17.949 8.382 1.00 0.00 N ATOM 0 HA LYS A 17 4.500 -12.462 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.388 -14.988 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.659 -13.805 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.580 -15.388 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.174 -14.014 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.486 -15.927 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.010 -15.213 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.970 -16.847 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.486 -17.535 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.616 -18.834 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.422 -18.159 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.953 -17.493 8.685 1.00 0.00 H new ATOM 125 N SER A 18 2.642 -12.633 4.492 1.00 0.00 N ATOM 126 CA SER A 18 2.312 -11.899 3.284 1.00 0.00 C ATOM 127 C SER A 18 1.763 -10.500 3.570 1.00 0.00 C ATOM 128 O SER A 18 2.038 -9.601 2.832 1.00 0.00 O ATOM 129 CB SER A 18 1.393 -12.680 2.366 1.00 0.00 C ATOM 130 OG SER A 18 1.955 -13.950 2.046 1.00 0.00 O ATOM 0 H SER A 18 2.073 -13.462 4.665 1.00 0.00 H new ATOM 0 HA SER A 18 3.255 -11.763 2.755 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.424 -12.817 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.219 -12.114 1.451 1.00 0.00 H new ATOM 0 HG SER A 18 1.345 -14.438 1.454 1.00 0.00 H new ATOM 136 N LYS A 19 1.024 -10.308 4.667 1.00 0.00 N ATOM 137 CA LYS A 19 0.501 -8.980 4.968 1.00 0.00 C ATOM 138 C LYS A 19 1.620 -8.061 5.335 1.00 0.00 C ATOM 139 O LYS A 19 1.635 -6.939 4.898 1.00 0.00 O ATOM 140 CB LYS A 19 -0.590 -8.951 6.067 1.00 0.00 C ATOM 141 CG LYS A 19 -1.785 -9.873 5.819 1.00 0.00 C ATOM 142 CD LYS A 19 -3.025 -9.481 6.618 1.00 0.00 C ATOM 143 CE LYS A 19 -2.766 -9.414 8.104 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.352 -10.719 8.675 1.00 0.00 N ATOM 0 H LYS A 19 0.782 -11.034 5.341 1.00 0.00 H new ATOM 0 HA LYS A 19 0.010 -8.643 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.133 -9.222 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.954 -7.929 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.028 -9.864 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.505 -10.895 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.383 -8.511 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.819 -10.202 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.990 -8.674 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.668 -9.071 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.237 -10.627 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.079 -11.434 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.449 -11.013 8.251 1.00 0.00 H new ATOM 158 N GLU A 20 2.593 -8.553 6.088 1.00 0.00 N ATOM 159 CA GLU A 20 3.694 -7.706 6.469 1.00 0.00 C ATOM 160 C GLU A 20 4.637 -7.453 5.289 1.00 0.00 C ATOM 161 O GLU A 20 5.130 -6.331 5.112 1.00 0.00 O ATOM 162 CB GLU A 20 4.432 -8.196 7.728 1.00 0.00 C ATOM 163 CG GLU A 20 5.031 -9.580 7.644 1.00 0.00 C ATOM 164 CD GLU A 20 5.843 -9.909 8.862 1.00 0.00 C ATOM 165 OE1 GLU A 20 7.040 -9.552 8.895 1.00 0.00 O ATOM 166 OE2 GLU A 20 5.313 -10.514 9.816 1.00 0.00 O ATOM 0 H GLU A 20 2.637 -9.511 6.436 1.00 0.00 H new ATOM 0 HA GLU A 20 3.265 -6.744 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.230 -7.489 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.736 -8.173 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.234 -10.315 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.661 -9.651 6.757 1.00 0.00 H new ATOM 173 N VAL A 21 4.847 -8.466 4.455 1.00 0.00 N ATOM 174 CA VAL A 21 5.677 -8.309 3.267 1.00 0.00 C ATOM 175 C VAL A 21 4.993 -7.371 2.290 1.00 0.00 C ATOM 176 O VAL A 21 5.598 -6.399 1.846 1.00 0.00 O ATOM 177 CB VAL A 21 6.034 -9.665 2.591 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.819 -9.451 1.300 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.847 -10.530 3.541 1.00 0.00 C ATOM 0 H VAL A 21 4.456 -9.400 4.579 1.00 0.00 H new ATOM 0 HA VAL A 21 6.626 -7.876 3.583 1.00 0.00 H new ATOM 0 HB VAL A 21 5.099 -10.170 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.053 -10.417 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.221 -8.863 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.745 -8.920 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.090 -11.475 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.768 -10.012 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.267 -10.724 4.443 1.00 0.00 H new ATOM 189 N PHE A 22 3.706 -7.598 2.055 1.00 0.00 N ATOM 190 CA PHE A 22 2.917 -6.759 1.168 1.00 0.00 C ATOM 191 C PHE A 22 2.897 -5.356 1.679 1.00 0.00 C ATOM 192 O PHE A 22 3.204 -4.427 0.941 1.00 0.00 O ATOM 193 CB PHE A 22 1.458 -7.298 1.033 1.00 0.00 C ATOM 194 CG PHE A 22 0.418 -6.224 0.758 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.373 -5.559 -0.449 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.473 -5.850 1.749 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.537 -4.545 -0.660 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.387 -4.848 1.532 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.420 -4.190 0.329 1.00 0.00 C ATOM 0 H PHE A 22 3.183 -8.367 2.474 1.00 0.00 H new ATOM 0 HA PHE A 22 3.379 -6.779 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.427 -8.032 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.190 -7.821 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.058 -5.835 -1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.449 -6.352 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.555 -4.028 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.083 -4.577 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.135 -3.399 0.161 1.00 0.00 H new ATOM 209 N ARG A 23 2.564 -5.198 2.955 1.00 0.00 N ATOM 210 CA ARG A 23 2.483 -3.872 3.517 1.00 0.00 C ATOM 211 C ARG A 23 3.842 -3.184 3.449 1.00 0.00 C ATOM 212 O ARG A 23 3.900 -1.994 3.280 1.00 0.00 O ATOM 213 CB ARG A 23 1.883 -3.866 4.947 1.00 0.00 C ATOM 214 CG ARG A 23 2.830 -4.273 6.061 1.00 0.00 C ATOM 215 CD ARG A 23 3.472 -3.048 6.706 1.00 0.00 C ATOM 216 NE ARG A 23 4.496 -3.398 7.689 1.00 0.00 N ATOM 217 CZ ARG A 23 4.810 -2.662 8.757 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.062 -1.609 9.101 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.850 -3.002 9.504 1.00 0.00 N ATOM 0 H ARG A 23 2.352 -5.958 3.601 1.00 0.00 H new ATOM 0 HA ARG A 23 1.786 -3.295 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.510 -2.864 5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.023 -4.536 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.287 -4.843 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.605 -4.928 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.917 -2.425 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.699 -2.450 7.190 1.00 0.00 H new ATOM 0 HE ARG A 23 5.008 -4.269 7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.243 -1.362 8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.310 -1.053 9.919 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.406 -3.822 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.095 -2.443 10.322 1.00 0.00 H new ATOM 233 N LYS A 24 4.934 -3.955 3.527 1.00 0.00 N ATOM 234 CA LYS A 24 6.257 -3.375 3.451 1.00 0.00 C ATOM 235 C LYS A 24 6.534 -2.848 2.053 1.00 0.00 C ATOM 236 O LYS A 24 6.924 -1.695 1.894 1.00 0.00 O ATOM 237 CB LYS A 24 7.360 -4.372 3.855 1.00 0.00 C ATOM 238 CG LYS A 24 8.758 -3.745 3.896 1.00 0.00 C ATOM 239 CD LYS A 24 8.841 -2.639 4.952 1.00 0.00 C ATOM 240 CE LYS A 24 10.151 -1.859 4.890 1.00 0.00 C ATOM 241 NZ LYS A 24 11.348 -2.702 5.107 1.00 0.00 N ATOM 0 H LYS A 24 4.917 -4.968 3.641 1.00 0.00 H new ATOM 0 HA LYS A 24 6.276 -2.550 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.125 -4.785 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.363 -5.205 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.498 -4.515 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.004 -3.335 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.007 -1.951 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.733 -3.080 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.230 -1.372 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.131 -1.069 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.203 -2.112 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.294 -3.147 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.390 -3.440 4.376 1.00 0.00 H new ATOM 255 N GLU A 25 6.276 -3.658 1.031 1.00 0.00 N ATOM 256 CA GLU A 25 6.552 -3.238 -0.312 1.00 0.00 C ATOM 257 C GLU A 25 5.574 -2.221 -0.802 1.00 0.00 C ATOM 258 O GLU A 25 5.912 -1.396 -1.641 1.00 0.00 O ATOM 259 CB GLU A 25 6.696 -4.393 -1.273 1.00 0.00 C ATOM 260 CG GLU A 25 5.826 -5.571 -1.038 1.00 0.00 C ATOM 261 CD GLU A 25 6.148 -6.638 -2.027 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.937 -6.428 -3.243 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.690 -7.671 -1.639 1.00 0.00 O ATOM 0 H GLU A 25 5.881 -4.594 1.118 1.00 0.00 H new ATOM 0 HA GLU A 25 7.526 -2.749 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.502 -4.023 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.733 -4.727 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.970 -5.945 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.778 -5.285 -1.126 1.00 0.00 H new ATOM 270 N MET A 26 4.379 -2.265 -0.280 1.00 0.00 N ATOM 271 CA MET A 26 3.379 -1.269 -0.593 1.00 0.00 C ATOM 272 C MET A 26 3.771 0.038 0.073 1.00 0.00 C ATOM 273 O MET A 26 3.655 1.067 -0.525 1.00 0.00 O ATOM 274 CB MET A 26 2.019 -1.714 -0.137 1.00 0.00 C ATOM 275 CG MET A 26 0.870 -0.742 -0.433 1.00 0.00 C ATOM 276 SD MET A 26 -0.178 -1.150 -1.864 1.00 0.00 S ATOM 277 CE MET A 26 0.881 -0.992 -3.311 1.00 0.00 C ATOM 0 H MET A 26 4.067 -2.986 0.371 1.00 0.00 H new ATOM 0 HA MET A 26 3.329 -1.129 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.792 -2.670 -0.608 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.055 -1.889 0.938 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.235 -0.683 0.451 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.292 0.251 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.357 -0.433 -4.086 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.794 -0.464 -3.037 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.134 -1.983 -3.687 1.00 0.00 H new ATOM 287 N SER A 27 4.291 -0.040 1.305 1.00 0.00 N ATOM 288 CA SER A 27 4.785 1.126 1.995 1.00 0.00 C ATOM 289 C SER A 27 5.910 1.707 1.199 1.00 0.00 C ATOM 290 O SER A 27 5.949 2.875 0.980 1.00 0.00 O ATOM 291 CB SER A 27 5.268 0.831 3.435 1.00 0.00 C ATOM 292 OG SER A 27 4.207 0.410 4.284 1.00 0.00 O ATOM 0 H SER A 27 4.374 -0.908 1.834 1.00 0.00 H new ATOM 0 HA SER A 27 3.956 1.828 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.037 0.059 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.730 1.726 3.851 1.00 0.00 H new ATOM 0 HG SER A 27 4.082 -0.558 4.196 1.00 0.00 H new ATOM 298 N GLN A 28 6.777 0.855 0.692 1.00 0.00 N ATOM 299 CA GLN A 28 7.936 1.314 -0.086 1.00 0.00 C ATOM 300 C GLN A 28 7.495 1.917 -1.404 1.00 0.00 C ATOM 301 O GLN A 28 8.003 2.972 -1.821 1.00 0.00 O ATOM 302 CB GLN A 28 8.942 0.192 -0.314 1.00 0.00 C ATOM 303 CG GLN A 28 9.652 -0.281 0.940 1.00 0.00 C ATOM 304 CD GLN A 28 10.706 0.694 1.446 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.602 1.917 1.271 1.00 0.00 O ATOM 306 NE2 GLN A 28 11.735 0.162 2.053 1.00 0.00 N ATOM 0 H GLN A 28 6.712 -0.157 0.798 1.00 0.00 H new ATOM 0 HA GLN A 28 8.435 2.088 0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.426 -0.655 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.688 0.531 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.914 -0.446 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.124 -1.243 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.786 -0.849 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.486 0.758 2.401 1.00 0.00 H new ATOM 315 N PHE A 29 6.574 1.247 -2.046 1.00 0.00 N ATOM 316 CA PHE A 29 5.979 1.689 -3.287 1.00 0.00 C ATOM 317 C PHE A 29 5.305 3.045 -3.090 1.00 0.00 C ATOM 318 O PHE A 29 5.545 3.980 -3.842 1.00 0.00 O ATOM 319 CB PHE A 29 4.969 0.637 -3.750 1.00 0.00 C ATOM 320 CG PHE A 29 4.206 0.977 -4.970 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.734 0.743 -6.217 1.00 0.00 C ATOM 322 CD2 PHE A 29 2.940 1.509 -4.869 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.005 1.036 -7.335 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.223 1.804 -5.981 1.00 0.00 C ATOM 325 CZ PHE A 29 2.750 1.568 -7.204 1.00 0.00 C ATOM 0 H PHE A 29 6.205 0.356 -1.714 1.00 0.00 H new ATOM 0 HA PHE A 29 6.748 1.806 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.500 -0.299 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.263 0.456 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.726 0.327 -6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.514 1.693 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.416 0.849 -8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.233 2.227 -5.891 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.174 1.802 -8.087 1.00 0.00 H new ATOM 335 N ILE A 30 4.484 3.132 -2.073 1.00 0.00 N ATOM 336 CA ILE A 30 3.767 4.337 -1.732 1.00 0.00 C ATOM 337 C ILE A 30 4.707 5.432 -1.339 1.00 0.00 C ATOM 338 O ILE A 30 4.553 6.543 -1.789 1.00 0.00 O ATOM 339 CB ILE A 30 2.714 4.084 -0.644 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.600 3.225 -1.241 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.171 5.395 -0.076 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.598 2.737 -0.247 1.00 0.00 C ATOM 0 H ILE A 30 4.291 2.351 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 30 3.233 4.662 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 30 3.172 3.555 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.083 3.803 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.048 2.365 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.428 5.179 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.988 5.968 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.709 5.974 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.156 2.136 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.099 2.129 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.119 3.589 0.235 1.00 0.00 H new ATOM 354 N VAL A 31 5.680 5.117 -0.509 1.00 0.00 N ATOM 355 CA VAL A 31 6.730 6.069 -0.161 1.00 0.00 C ATOM 356 C VAL A 31 7.354 6.650 -1.428 1.00 0.00 C ATOM 357 O VAL A 31 7.458 7.860 -1.570 1.00 0.00 O ATOM 358 CB VAL A 31 7.810 5.405 0.757 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.115 6.200 0.803 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.260 5.274 2.174 1.00 0.00 C ATOM 0 H VAL A 31 5.771 4.207 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 31 6.284 6.887 0.405 1.00 0.00 H new ATOM 0 HB VAL A 31 8.034 4.426 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.827 5.693 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.531 6.274 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.918 7.200 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.011 4.812 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.012 6.262 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.363 4.654 2.160 1.00 0.00 H new ATOM 370 N GLN A 32 7.695 5.787 -2.360 1.00 0.00 N ATOM 371 CA GLN A 32 8.274 6.185 -3.621 1.00 0.00 C ATOM 372 C GLN A 32 7.317 7.096 -4.386 1.00 0.00 C ATOM 373 O GLN A 32 7.708 8.133 -4.908 1.00 0.00 O ATOM 374 CB GLN A 32 8.562 4.937 -4.429 1.00 0.00 C ATOM 375 CG GLN A 32 9.251 5.180 -5.735 1.00 0.00 C ATOM 376 CD GLN A 32 10.600 5.859 -5.583 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.290 5.706 -4.568 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.999 6.581 -6.590 1.00 0.00 N ATOM 0 H GLN A 32 7.576 4.779 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 32 9.196 6.739 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.177 4.267 -3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.622 4.420 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.386 4.229 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.611 5.796 -6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.403 6.685 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.908 7.043 -6.558 1.00 0.00 H new ATOM 387 N CYS A 33 6.068 6.699 -4.403 1.00 0.00 N ATOM 388 CA CYS A 33 5.013 7.430 -5.059 1.00 0.00 C ATOM 389 C CYS A 33 4.755 8.786 -4.416 1.00 0.00 C ATOM 390 O CYS A 33 4.412 9.728 -5.102 1.00 0.00 O ATOM 391 CB CYS A 33 3.740 6.601 -5.044 1.00 0.00 C ATOM 392 SG CYS A 33 3.844 5.081 -6.014 1.00 0.00 S ATOM 0 H CYS A 33 5.751 5.841 -3.952 1.00 0.00 H new ATOM 0 HA CYS A 33 5.331 7.618 -6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.496 6.346 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.919 7.208 -5.425 1.00 0.00 H new ATOM 0 HG CYS A 33 4.577 4.213 -5.383 1.00 0.00 H new ATOM 398 N LEU A 34 4.901 8.853 -3.105 1.00 0.00 N ATOM 399 CA LEU A 34 4.716 10.084 -2.338 1.00 0.00 C ATOM 400 C LEU A 34 5.926 10.998 -2.400 1.00 0.00 C ATOM 401 O LEU A 34 5.810 12.186 -2.122 1.00 0.00 O ATOM 402 CB LEU A 34 4.394 9.803 -0.879 1.00 0.00 C ATOM 403 CG LEU A 34 3.096 9.093 -0.568 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.951 8.947 0.931 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.918 9.849 -1.138 1.00 0.00 C ATOM 0 H LEU A 34 5.154 8.049 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 34 3.871 10.588 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.208 9.209 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.391 10.755 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 34 3.115 8.106 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.016 8.435 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.786 8.367 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.946 9.934 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.996 9.318 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.883 10.849 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.024 9.926 -2.220 1.00 0.00 H new ATOM 417 N ASN A 35 7.100 10.440 -2.686 1.00 0.00 N ATOM 418 CA ASN A 35 8.311 11.252 -2.883 1.00 0.00 C ATOM 419 C ASN A 35 8.152 12.543 -3.685 1.00 0.00 C ATOM 420 O ASN A 35 8.588 13.587 -3.218 1.00 0.00 O ATOM 421 CB ASN A 35 9.482 10.455 -3.369 1.00 0.00 C ATOM 422 CG ASN A 35 10.238 10.115 -2.178 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.186 10.798 -1.802 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.767 9.169 -1.496 1.00 0.00 N ATOM 0 H ASN A 35 7.244 9.435 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 35 8.517 11.591 -1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.155 9.559 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.088 11.033 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.174 8.942 -0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.978 8.629 -1.850 1.00 0.00 H new ATOM 431 N PRO A 36 7.515 12.532 -4.893 1.00 0.00 N ATOM 432 CA PRO A 36 7.302 13.766 -5.666 1.00 0.00 C ATOM 433 C PRO A 36 6.356 14.746 -4.961 1.00 0.00 C ATOM 434 O PRO A 36 6.362 15.941 -5.243 1.00 0.00 O ATOM 435 CB PRO A 36 6.685 13.288 -6.989 1.00 0.00 C ATOM 436 CG PRO A 36 6.139 11.938 -6.703 1.00 0.00 C ATOM 437 CD PRO A 36 7.001 11.349 -5.623 1.00 0.00 C ATOM 0 HA PRO A 36 8.236 14.312 -5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.900 13.966 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.433 13.250 -7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.100 12.000 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.157 11.315 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.428 10.693 -4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.813 10.753 -6.040 1.00 0.00 H new ATOM 445 N TYR A 37 5.598 14.245 -4.010 1.00 0.00 N ATOM 446 CA TYR A 37 4.630 15.050 -3.313 1.00 0.00 C ATOM 447 C TYR A 37 5.268 15.813 -2.192 1.00 0.00 C ATOM 448 O TYR A 37 4.812 16.868 -1.828 1.00 0.00 O ATOM 449 CB TYR A 37 3.478 14.206 -2.775 1.00 0.00 C ATOM 450 CG TYR A 37 2.625 13.567 -3.837 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.026 12.417 -4.464 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.410 14.115 -4.194 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.254 11.821 -5.420 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.620 13.538 -5.151 1.00 0.00 C ATOM 455 CZ TYR A 37 1.047 12.385 -5.764 1.00 0.00 C ATOM 456 OH TYR A 37 0.266 11.788 -6.717 1.00 0.00 O ATOM 0 H TYR A 37 5.638 13.273 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 37 4.227 15.758 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.885 13.424 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.846 14.834 -2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.973 11.972 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.075 15.019 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.588 10.914 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.326 13.983 -5.421 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.136 12.475 -7.288 1.00 0.00 H new ATOM 466 N ARG A 38 6.342 15.296 -1.657 1.00 0.00 N ATOM 467 CA ARG A 38 6.987 15.958 -0.524 1.00 0.00 C ATOM 468 C ARG A 38 8.004 16.979 -0.995 1.00 0.00 C ATOM 469 O ARG A 38 8.668 17.636 -0.198 1.00 0.00 O ATOM 470 CB ARG A 38 7.644 14.957 0.397 1.00 0.00 C ATOM 471 CG ARG A 38 8.804 14.231 -0.223 1.00 0.00 C ATOM 472 CD ARG A 38 9.452 13.338 0.793 1.00 0.00 C ATOM 473 NE ARG A 38 10.667 12.689 0.309 1.00 0.00 N ATOM 474 CZ ARG A 38 11.804 12.569 1.020 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.945 13.183 2.200 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.811 11.869 0.524 1.00 0.00 N ATOM 0 H ARG A 38 6.792 14.436 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 38 6.207 16.476 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.988 15.473 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.899 14.227 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.462 13.640 -1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.530 14.948 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.692 13.924 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.739 12.573 1.100 1.00 0.00 H new ATOM 0 HE ARG A 38 10.653 12.299 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.185 13.752 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.813 13.082 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.722 11.425 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.676 11.773 1.056 1.00 0.00 H new ATOM 490 N LYS A 39 8.125 17.090 -2.280 1.00 0.00 N ATOM 491 CA LYS A 39 9.010 18.060 -2.889 1.00 0.00 C ATOM 492 C LYS A 39 8.355 19.435 -2.774 1.00 0.00 C ATOM 493 O LYS A 39 7.144 19.549 -2.925 1.00 0.00 O ATOM 494 CB LYS A 39 9.212 17.736 -4.376 1.00 0.00 C ATOM 495 CG LYS A 39 9.708 16.333 -4.660 1.00 0.00 C ATOM 496 CD LYS A 39 11.065 16.065 -4.051 1.00 0.00 C ATOM 497 CE LYS A 39 11.470 14.629 -4.290 1.00 0.00 C ATOM 498 NZ LYS A 39 12.830 14.327 -3.795 1.00 0.00 N ATOM 0 H LYS A 39 7.615 16.513 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 39 9.977 18.040 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.266 17.884 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.922 18.449 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.990 15.611 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.761 16.181 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.806 16.736 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.038 16.270 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.755 13.968 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.421 14.415 -5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.055 13.330 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.519 14.936 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.874 14.503 -2.771 1.00 0.00 H new ATOM 512 N PRO A 40 9.121 20.500 -2.529 1.00 0.00 N ATOM 513 CA PRO A 40 8.560 21.856 -2.422 1.00 0.00 C ATOM 514 C PRO A 40 8.019 22.378 -3.764 1.00 0.00 C ATOM 515 O PRO A 40 7.343 23.410 -3.826 1.00 0.00 O ATOM 516 CB PRO A 40 9.736 22.706 -1.945 1.00 0.00 C ATOM 517 CG PRO A 40 10.953 21.941 -2.345 1.00 0.00 C ATOM 518 CD PRO A 40 10.575 20.484 -2.301 1.00 0.00 C ATOM 0 HA PRO A 40 7.706 21.884 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.722 23.694 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.702 22.857 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.280 22.227 -3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.781 22.148 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.095 19.911 -3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.826 20.033 -1.341 1.00 0.00 H new ATOM 526 N ASP A 41 8.296 21.649 -4.822 1.00 0.00 N ATOM 527 CA ASP A 41 7.872 21.983 -6.135 1.00 0.00 C ATOM 528 C ASP A 41 6.674 21.118 -6.555 1.00 0.00 C ATOM 529 O ASP A 41 6.226 21.179 -7.702 1.00 0.00 O ATOM 530 CB ASP A 41 9.032 21.772 -7.090 1.00 0.00 C ATOM 531 CG ASP A 41 9.586 20.358 -7.090 1.00 0.00 C ATOM 532 OD1 ASP A 41 9.109 19.511 -7.879 1.00 0.00 O ATOM 533 OD2 ASP A 41 10.533 20.086 -6.318 1.00 0.00 O ATOM 0 H ASP A 41 8.838 20.786 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 41 7.557 23.026 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.708 22.024 -8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.833 22.464 -6.831 1.00 0.00 H new ATOM 538 N CYS A 42 6.187 20.312 -5.623 1.00 0.00 N ATOM 539 CA CYS A 42 5.025 19.453 -5.850 1.00 0.00 C ATOM 540 C CYS A 42 3.812 20.253 -6.324 1.00 0.00 C ATOM 541 O CYS A 42 3.469 21.298 -5.752 1.00 0.00 O ATOM 542 CB CYS A 42 4.667 18.674 -4.595 1.00 0.00 C ATOM 543 SG CYS A 42 3.199 17.643 -4.756 1.00 0.00 S ATOM 0 H CYS A 42 6.583 20.232 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 42 5.301 18.751 -6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.512 18.042 -4.320 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.515 19.377 -3.776 1.00 0.00 H new ATOM 0 HG CYS A 42 2.183 18.248 -4.217 1.00 0.00 H new ATOM 549 N LYS A 43 3.171 19.752 -7.361 1.00 0.00 N ATOM 550 CA LYS A 43 2.018 20.400 -7.956 1.00 0.00 C ATOM 551 C LYS A 43 0.771 20.237 -7.110 1.00 0.00 C ATOM 552 O LYS A 43 0.037 21.201 -6.875 1.00 0.00 O ATOM 553 CB LYS A 43 1.753 19.827 -9.350 1.00 0.00 C ATOM 554 CG LYS A 43 2.809 20.160 -10.393 1.00 0.00 C ATOM 555 CD LYS A 43 2.803 21.641 -10.780 1.00 0.00 C ATOM 556 CE LYS A 43 1.486 22.065 -11.445 1.00 0.00 C ATOM 557 NZ LYS A 43 1.200 21.291 -12.681 1.00 0.00 N ATOM 0 H LYS A 43 3.436 18.879 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 43 2.248 21.463 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.671 18.743 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.789 20.195 -9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.793 19.892 -10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.640 19.554 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.969 22.247 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.631 21.840 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.666 21.932 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.530 23.127 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.398 21.722 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.038 21.298 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.964 20.310 -12.429 1.00 0.00 H new ATOM 571 N VAL A 44 0.540 19.045 -6.647 1.00 0.00 N ATOM 572 CA VAL A 44 -0.686 18.731 -5.954 1.00 0.00 C ATOM 573 C VAL A 44 -0.424 17.780 -4.809 1.00 0.00 C ATOM 574 O VAL A 44 0.248 16.772 -4.982 1.00 0.00 O ATOM 575 CB VAL A 44 -1.745 18.141 -6.948 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.222 16.913 -7.681 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.069 17.847 -6.258 1.00 0.00 C ATOM 0 H VAL A 44 1.188 18.263 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.092 19.652 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.929 18.911 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.990 16.539 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.333 17.181 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.968 16.138 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.774 17.440 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.910 17.122 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.472 18.768 -5.837 1.00 0.00 H new ATOM 587 N GLY A 45 -0.944 18.121 -3.652 1.00 0.00 N ATOM 588 CA GLY A 45 -0.756 17.319 -2.475 1.00 0.00 C ATOM 589 C GLY A 45 0.680 17.392 -1.969 1.00 0.00 C ATOM 590 O GLY A 45 1.318 16.377 -1.793 1.00 0.00 O ATOM 0 H GLY A 45 -1.506 18.959 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.436 17.656 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.012 16.283 -2.695 1.00 0.00 H new ATOM 594 N ARG A 46 1.211 18.592 -1.764 1.00 0.00 N ATOM 595 CA ARG A 46 2.565 18.715 -1.266 1.00 0.00 C ATOM 596 C ARG A 46 2.660 18.326 0.203 1.00 0.00 C ATOM 597 O ARG A 46 2.018 18.928 1.060 1.00 0.00 O ATOM 598 CB ARG A 46 3.128 20.120 -1.467 1.00 0.00 C ATOM 599 CG ARG A 46 4.537 20.259 -0.914 1.00 0.00 C ATOM 600 CD ARG A 46 5.140 21.614 -1.181 1.00 0.00 C ATOM 601 NE ARG A 46 4.357 22.714 -0.628 1.00 0.00 N ATOM 602 CZ ARG A 46 4.506 23.247 0.596 1.00 0.00 C ATOM 603 NH1 ARG A 46 5.357 22.709 1.473 1.00 0.00 N ATOM 604 NH2 ARG A 46 3.794 24.316 0.940 1.00 0.00 N ATOM 0 H ARG A 46 0.730 19.476 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 46 3.168 18.021 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.132 20.359 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.475 20.844 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.519 20.080 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.172 19.491 -1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.145 21.646 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.240 21.754 -2.257 1.00 0.00 H new ATOM 0 HE ARG A 46 3.632 23.114 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.901 21.886 1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.463 23.121 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.138 24.727 0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.903 24.725 1.868 1.00 0.00 H new ATOM 618 N ILE A 47 3.454 17.337 0.480 1.00 0.00 N ATOM 619 CA ILE A 47 3.670 16.881 1.825 1.00 0.00 C ATOM 620 C ILE A 47 4.641 17.810 2.525 1.00 0.00 C ATOM 621 O ILE A 47 5.770 18.001 2.077 1.00 0.00 O ATOM 622 CB ILE A 47 4.184 15.426 1.864 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.207 14.515 1.107 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.368 14.976 3.293 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.626 13.070 1.015 1.00 0.00 C ATOM 0 H ILE A 47 3.976 16.817 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 47 2.713 16.895 2.347 1.00 0.00 H new ATOM 0 HB ILE A 47 5.155 15.367 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.234 14.565 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.077 14.905 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.731 13.948 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.092 15.623 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.414 15.031 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.873 12.507 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.583 13.001 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.726 12.656 2.018 1.00 0.00 H new ATOM 637 N THR A 48 4.167 18.406 3.582 1.00 0.00 N ATOM 638 CA THR A 48 4.912 19.356 4.369 1.00 0.00 C ATOM 639 C THR A 48 6.100 18.744 5.082 1.00 0.00 C ATOM 640 O THR A 48 7.235 19.186 4.921 1.00 0.00 O ATOM 641 CB THR A 48 3.982 19.968 5.423 1.00 0.00 C ATOM 642 OG1 THR A 48 3.362 18.906 6.171 1.00 0.00 O ATOM 643 CG2 THR A 48 2.910 20.730 4.757 1.00 0.00 C ATOM 0 H THR A 48 3.224 18.241 3.933 1.00 0.00 H new ATOM 0 HA THR A 48 5.295 20.106 3.677 1.00 0.00 H new ATOM 0 HB THR A 48 4.562 20.621 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.766 19.288 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.251 21.164 5.509 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.349 21.527 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.337 20.064 4.112 1.00 0.00 H new ATOM 651 N THR A 49 5.848 17.712 5.843 1.00 0.00 N ATOM 652 CA THR A 49 6.856 17.203 6.731 1.00 0.00 C ATOM 653 C THR A 49 7.052 15.715 6.516 1.00 0.00 C ATOM 654 O THR A 49 6.170 15.040 6.009 1.00 0.00 O ATOM 655 CB THR A 49 6.411 17.440 8.198 1.00 0.00 C ATOM 656 OG1 THR A 49 5.761 18.714 8.291 1.00 0.00 O ATOM 657 CG2 THR A 49 7.605 17.450 9.147 1.00 0.00 C ATOM 0 H THR A 49 4.960 17.211 5.865 1.00 0.00 H new ATOM 0 HA THR A 49 7.794 17.721 6.528 1.00 0.00 H new ATOM 0 HB THR A 49 5.739 16.630 8.480 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.800 18.582 8.429 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.258 17.618 10.167 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.121 16.491 9.093 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.291 18.248 8.861 1.00 0.00 H new ATOM 665 N THR A 50 8.202 15.232 6.896 1.00 0.00 N ATOM 666 CA THR A 50 8.531 13.838 6.876 1.00 0.00 C ATOM 667 C THR A 50 7.553 13.041 7.722 1.00 0.00 C ATOM 668 O THR A 50 7.115 11.976 7.332 1.00 0.00 O ATOM 669 CB THR A 50 9.976 13.655 7.399 1.00 0.00 C ATOM 670 OG1 THR A 50 10.374 12.276 7.404 1.00 0.00 O ATOM 671 CG2 THR A 50 10.181 14.267 8.782 1.00 0.00 C ATOM 0 H THR A 50 8.961 15.821 7.240 1.00 0.00 H new ATOM 0 HA THR A 50 8.463 13.466 5.854 1.00 0.00 H new ATOM 0 HB THR A 50 10.614 14.195 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.292 12.202 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.212 14.110 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.973 15.336 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.505 13.793 9.494 1.00 0.00 H new ATOM 679 N GLU A 51 7.186 13.602 8.862 1.00 0.00 N ATOM 680 CA GLU A 51 6.216 12.998 9.763 1.00 0.00 C ATOM 681 C GLU A 51 4.905 12.834 9.035 1.00 0.00 C ATOM 682 O GLU A 51 4.248 11.794 9.137 1.00 0.00 O ATOM 683 CB GLU A 51 5.997 13.873 10.961 1.00 0.00 C ATOM 684 CG GLU A 51 7.232 14.193 11.753 1.00 0.00 C ATOM 685 CD GLU A 51 6.914 15.184 12.823 1.00 0.00 C ATOM 686 OE1 GLU A 51 6.368 14.788 13.873 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.140 16.382 12.615 1.00 0.00 O ATOM 0 H GLU A 51 7.554 14.494 9.191 1.00 0.00 H new ATOM 0 HA GLU A 51 6.595 12.030 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.544 14.808 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.278 13.386 11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.634 13.283 12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.003 14.593 11.094 1.00 0.00 H new ATOM 694 N ASP A 52 4.564 13.830 8.252 1.00 0.00 N ATOM 695 CA ASP A 52 3.331 13.835 7.492 1.00 0.00 C ATOM 696 C ASP A 52 3.408 12.830 6.391 1.00 0.00 C ATOM 697 O ASP A 52 2.466 12.074 6.150 1.00 0.00 O ATOM 698 CB ASP A 52 3.071 15.238 6.921 1.00 0.00 C ATOM 699 CG ASP A 52 2.508 16.199 7.934 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.266 16.273 8.083 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.292 16.911 8.599 1.00 0.00 O ATOM 0 H ASP A 52 5.135 14.665 8.122 1.00 0.00 H new ATOM 0 HA ASP A 52 2.504 13.569 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.004 15.641 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.379 15.159 6.082 1.00 0.00 H new ATOM 706 N PHE A 53 4.556 12.794 5.766 1.00 0.00 N ATOM 707 CA PHE A 53 4.868 11.867 4.717 1.00 0.00 C ATOM 708 C PHE A 53 4.695 10.414 5.227 1.00 0.00 C ATOM 709 O PHE A 53 3.995 9.612 4.619 1.00 0.00 O ATOM 710 CB PHE A 53 6.306 12.122 4.244 1.00 0.00 C ATOM 711 CG PHE A 53 6.810 11.158 3.242 1.00 0.00 C ATOM 712 CD1 PHE A 53 6.639 11.394 1.906 1.00 0.00 C ATOM 713 CD2 PHE A 53 7.453 10.007 3.643 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.093 10.504 0.978 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.908 9.112 2.727 1.00 0.00 C ATOM 716 CZ PHE A 53 7.725 9.362 1.381 1.00 0.00 C ATOM 0 H PHE A 53 5.322 13.431 5.983 1.00 0.00 H new ATOM 0 HA PHE A 53 4.189 12.007 3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.362 13.126 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.967 12.103 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.139 12.295 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.597 9.814 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.953 10.702 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.409 8.211 3.049 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.082 8.655 0.647 1.00 0.00 H new ATOM 726 N LYS A 54 5.314 10.132 6.352 1.00 0.00 N ATOM 727 CA LYS A 54 5.270 8.824 6.992 1.00 0.00 C ATOM 728 C LYS A 54 3.855 8.451 7.383 1.00 0.00 C ATOM 729 O LYS A 54 3.409 7.327 7.146 1.00 0.00 O ATOM 730 CB LYS A 54 6.164 8.847 8.232 1.00 0.00 C ATOM 731 CG LYS A 54 7.648 8.956 7.896 1.00 0.00 C ATOM 732 CD LYS A 54 8.489 9.277 9.117 1.00 0.00 C ATOM 733 CE LYS A 54 8.394 8.210 10.193 1.00 0.00 C ATOM 734 NZ LYS A 54 9.137 8.605 11.402 1.00 0.00 N ATOM 0 H LYS A 54 5.874 10.815 6.862 1.00 0.00 H new ATOM 0 HA LYS A 54 5.628 8.076 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.878 9.688 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.994 7.940 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.990 8.018 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.793 9.731 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.530 9.391 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.170 10.234 9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.348 8.037 10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.789 7.269 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.054 7.857 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.139 8.746 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.743 9.491 11.778 1.00 0.00 H new ATOM 748 N HIS A 55 3.129 9.423 7.899 1.00 0.00 N ATOM 749 CA HIS A 55 1.754 9.244 8.370 1.00 0.00 C ATOM 750 C HIS A 55 0.863 8.861 7.198 1.00 0.00 C ATOM 751 O HIS A 55 0.113 7.874 7.257 1.00 0.00 O ATOM 752 CB HIS A 55 1.286 10.564 9.016 1.00 0.00 C ATOM 753 CG HIS A 55 -0.121 10.614 9.559 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.411 10.486 10.899 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.310 10.858 8.943 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.700 10.639 11.091 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.275 10.869 9.919 1.00 0.00 N ATOM 0 H HIS A 55 3.475 10.376 8.008 1.00 0.00 H new ATOM 0 HA HIS A 55 1.699 8.446 9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.970 10.800 9.831 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.389 11.356 8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.465 11.014 7.886 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.207 10.586 12.043 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.271 11.028 9.767 1.00 0.00 H new ATOM 765 N LEU A 56 0.967 9.603 6.140 1.00 0.00 N ATOM 766 CA LEU A 56 0.164 9.345 4.990 1.00 0.00 C ATOM 767 C LEU A 56 0.578 8.083 4.300 1.00 0.00 C ATOM 768 O LEU A 56 -0.284 7.320 3.873 1.00 0.00 O ATOM 769 CB LEU A 56 0.210 10.460 4.012 1.00 0.00 C ATOM 770 CG LEU A 56 -0.939 10.436 3.022 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.281 10.687 3.694 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.692 11.384 1.911 1.00 0.00 C ATOM 0 H LEU A 56 1.603 10.395 6.051 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.857 9.240 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.197 11.408 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.152 10.417 3.466 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.991 9.432 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.073 10.660 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.463 9.916 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.270 11.665 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.528 11.351 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.592 12.394 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.226 11.106 1.392 1.00 0.00 H new ATOM 784 N ALA A 57 1.890 7.832 4.203 1.00 0.00 N ATOM 785 CA ALA A 57 2.377 6.575 3.610 1.00 0.00 C ATOM 786 C ALA A 57 1.748 5.395 4.347 1.00 0.00 C ATOM 787 O ALA A 57 1.298 4.420 3.721 1.00 0.00 O ATOM 788 CB ALA A 57 3.895 6.488 3.608 1.00 0.00 C ATOM 0 H ALA A 57 2.622 8.467 4.520 1.00 0.00 H new ATOM 0 HA ALA A 57 2.074 6.547 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.205 5.543 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.306 7.315 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.264 6.543 4.632 1.00 0.00 H new ATOM 794 N ARG A 58 1.625 5.540 5.669 1.00 0.00 N ATOM 795 CA ARG A 58 0.985 4.516 6.491 1.00 0.00 C ATOM 796 C ARG A 58 -0.457 4.390 6.141 1.00 0.00 C ATOM 797 O ARG A 58 -0.962 3.271 5.938 1.00 0.00 O ATOM 798 CB ARG A 58 1.115 4.784 8.001 1.00 0.00 C ATOM 799 CG ARG A 58 2.526 4.755 8.509 1.00 0.00 C ATOM 800 CD ARG A 58 3.219 3.544 7.973 1.00 0.00 C ATOM 801 NE ARG A 58 4.579 3.409 8.491 1.00 0.00 N ATOM 802 CZ ARG A 58 5.546 2.630 7.986 1.00 0.00 C ATOM 803 NH1 ARG A 58 5.318 1.869 6.909 1.00 0.00 N ATOM 804 NH2 ARG A 58 6.746 2.617 8.565 1.00 0.00 N ATOM 0 H ARG A 58 1.959 6.352 6.188 1.00 0.00 H new ATOM 0 HA ARG A 58 1.510 3.585 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.680 5.758 8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.530 4.041 8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.054 5.657 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.532 4.739 9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.644 2.655 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.251 3.598 6.885 1.00 0.00 H new ATOM 0 HE ARG A 58 4.815 3.960 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.401 1.878 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.062 1.280 6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.923 3.197 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.488 2.027 8.188 1.00 0.00 H new ATOM 818 N LYS A 59 -1.113 5.526 5.995 1.00 0.00 N ATOM 819 CA LYS A 59 -2.530 5.520 5.730 1.00 0.00 C ATOM 820 C LYS A 59 -2.854 4.843 4.428 1.00 0.00 C ATOM 821 O LYS A 59 -3.758 4.016 4.342 1.00 0.00 O ATOM 822 CB LYS A 59 -3.124 6.903 5.651 1.00 0.00 C ATOM 823 CG LYS A 59 -3.392 7.630 6.946 1.00 0.00 C ATOM 824 CD LYS A 59 -4.372 8.766 6.669 1.00 0.00 C ATOM 825 CE LYS A 59 -5.745 8.197 6.269 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.626 9.186 5.662 1.00 0.00 N ATOM 0 H LYS A 59 -0.689 6.452 6.055 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.958 4.979 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.455 7.521 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.065 6.832 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.805 6.945 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.463 8.023 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.474 9.392 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.987 9.402 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.599 7.373 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.230 7.783 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.597 8.815 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.606 10.061 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.305 9.389 4.694 1.00 0.00 H new ATOM 840 N LEU A 60 -2.144 5.226 3.420 1.00 0.00 N ATOM 841 CA LEU A 60 -2.386 4.769 2.080 1.00 0.00 C ATOM 842 C LEU A 60 -2.119 3.311 1.952 1.00 0.00 C ATOM 843 O LEU A 60 -2.945 2.577 1.406 1.00 0.00 O ATOM 844 CB LEU A 60 -1.558 5.593 1.157 1.00 0.00 C ATOM 845 CG LEU A 60 -1.889 7.058 1.282 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.802 7.947 0.721 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.223 7.346 0.651 1.00 0.00 C ATOM 0 H LEU A 60 -1.363 5.878 3.499 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.436 4.895 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.502 5.437 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.722 5.268 0.130 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.951 7.292 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.091 8.992 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.129 7.767 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.660 7.724 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.450 8.408 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.192 7.077 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.996 6.762 1.151 1.00 0.00 H new ATOM 859 N THR A 61 -0.992 2.888 2.517 1.00 0.00 N ATOM 860 CA THR A 61 -0.623 1.493 2.530 1.00 0.00 C ATOM 861 C THR A 61 -1.717 0.691 3.171 1.00 0.00 C ATOM 862 O THR A 61 -2.151 -0.335 2.652 1.00 0.00 O ATOM 863 CB THR A 61 0.692 1.283 3.327 1.00 0.00 C ATOM 864 OG1 THR A 61 1.750 2.029 2.715 1.00 0.00 O ATOM 865 CG2 THR A 61 1.077 -0.188 3.381 1.00 0.00 C ATOM 0 H THR A 61 -0.319 3.504 2.973 1.00 0.00 H new ATOM 0 HA THR A 61 -0.471 1.165 1.502 1.00 0.00 H new ATOM 0 HB THR A 61 0.529 1.633 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.570 2.988 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.002 -0.301 3.946 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.283 -0.754 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.222 -0.564 2.368 1.00 0.00 H new ATOM 873 N HIS A 62 -2.224 1.207 4.259 1.00 0.00 N ATOM 874 CA HIS A 62 -3.180 0.444 5.010 1.00 0.00 C ATOM 875 C HIS A 62 -4.569 0.505 4.341 1.00 0.00 C ATOM 876 O HIS A 62 -5.353 -0.423 4.457 1.00 0.00 O ATOM 877 CB HIS A 62 -3.213 0.898 6.481 1.00 0.00 C ATOM 878 CG HIS A 62 -3.884 -0.071 7.430 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.200 -0.706 8.446 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.159 -0.523 7.509 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.013 -1.505 9.098 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.216 -1.416 8.552 1.00 0.00 N ATOM 0 H HIS A 62 -1.998 2.127 4.636 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.871 -0.601 5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.190 1.065 6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.728 1.857 6.539 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.980 -0.234 6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.746 -2.129 9.938 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.046 -1.925 8.855 1.00 0.00 H new ATOM 890 N GLY A 63 -4.860 1.579 3.628 1.00 0.00 N ATOM 891 CA GLY A 63 -6.145 1.692 2.962 1.00 0.00 C ATOM 892 C GLY A 63 -6.241 0.788 1.761 1.00 0.00 C ATOM 893 O GLY A 63 -7.268 0.161 1.558 1.00 0.00 O ATOM 0 H GLY A 63 -4.235 2.374 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.940 1.446 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.303 2.725 2.652 1.00 0.00 H new ATOM 897 N VAL A 64 -5.147 0.671 0.997 1.00 0.00 N ATOM 898 CA VAL A 64 -5.116 -0.230 -0.184 1.00 0.00 C ATOM 899 C VAL A 64 -5.281 -1.647 0.308 1.00 0.00 C ATOM 900 O VAL A 64 -6.051 -2.439 -0.246 1.00 0.00 O ATOM 901 CB VAL A 64 -3.777 -0.123 -0.975 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.745 -1.128 -2.132 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.589 1.287 -1.511 1.00 0.00 C ATOM 0 H VAL A 64 -4.278 1.178 1.164 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.920 0.061 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.961 -0.355 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.801 -1.034 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.839 -2.140 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.572 -0.925 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.650 1.345 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.415 1.536 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.567 1.992 -0.680 1.00 0.00 H new ATOM 913 N MET A 65 -4.647 -1.869 1.429 1.00 0.00 N ATOM 914 CA MET A 65 -4.635 -3.129 2.125 1.00 0.00 C ATOM 915 C MET A 65 -6.065 -3.522 2.488 1.00 0.00 C ATOM 916 O MET A 65 -6.494 -4.625 2.213 1.00 0.00 O ATOM 917 CB MET A 65 -3.768 -2.982 3.358 1.00 0.00 C ATOM 918 CG MET A 65 -3.733 -4.141 4.280 1.00 0.00 C ATOM 919 SD MET A 65 -2.696 -3.748 5.690 1.00 0.00 S ATOM 920 CE MET A 65 -3.004 -5.160 6.687 1.00 0.00 C ATOM 0 H MET A 65 -4.103 -1.147 1.902 1.00 0.00 H new ATOM 0 HA MET A 65 -4.223 -3.919 1.497 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.748 -2.771 3.036 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.113 -2.111 3.916 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.742 -4.386 4.613 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.346 -5.019 3.763 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.434 -5.083 7.613 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.068 -5.217 6.919 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.702 -6.058 6.149 1.00 0.00 H new ATOM 930 N ASN A 66 -6.801 -2.583 3.063 1.00 0.00 N ATOM 931 CA ASN A 66 -8.200 -2.772 3.422 1.00 0.00 C ATOM 932 C ASN A 66 -9.058 -3.045 2.196 1.00 0.00 C ATOM 933 O ASN A 66 -9.890 -3.945 2.207 1.00 0.00 O ATOM 934 CB ASN A 66 -8.726 -1.537 4.105 1.00 0.00 C ATOM 935 CG ASN A 66 -8.238 -1.318 5.494 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.915 -2.251 6.240 1.00 0.00 O ATOM 937 ND2 ASN A 66 -8.201 -0.087 5.863 1.00 0.00 N ATOM 0 H ASN A 66 -6.441 -1.658 3.296 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.253 -3.631 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.459 -0.668 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.815 -1.589 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.896 0.154 6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.477 0.649 5.213 1.00 0.00 H new ATOM 944 N LYS A 67 -8.846 -2.271 1.154 1.00 0.00 N ATOM 945 CA LYS A 67 -9.617 -2.379 -0.071 1.00 0.00 C ATOM 946 C LYS A 67 -9.472 -3.758 -0.690 1.00 0.00 C ATOM 947 O LYS A 67 -10.469 -4.415 -1.089 1.00 0.00 O ATOM 948 CB LYS A 67 -9.211 -1.276 -1.063 1.00 0.00 C ATOM 949 CG LYS A 67 -9.494 0.137 -0.550 1.00 0.00 C ATOM 950 CD LYS A 67 -8.896 1.227 -1.448 1.00 0.00 C ATOM 951 CE LYS A 67 -9.564 1.308 -2.813 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.998 1.651 -2.721 1.00 0.00 N ATOM 0 H LYS A 67 -8.131 -1.544 1.130 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.670 -2.241 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.147 -1.369 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.744 -1.427 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.572 0.283 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.090 0.241 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.986 2.191 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.831 1.036 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.053 2.055 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.454 0.352 -3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.358 1.893 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.526 0.837 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.120 2.465 -2.085 1.00 0.00 H new ATOM 966 N GLU A 68 -8.273 -4.242 -0.737 1.00 0.00 N ATOM 967 CA GLU A 68 -8.095 -5.504 -1.288 1.00 0.00 C ATOM 968 C GLU A 68 -8.430 -6.591 -0.334 1.00 0.00 C ATOM 969 O GLU A 68 -8.936 -7.556 -0.735 1.00 0.00 O ATOM 970 CB GLU A 68 -6.790 -5.652 -1.949 1.00 0.00 C ATOM 971 CG GLU A 68 -5.587 -5.421 -1.103 1.00 0.00 C ATOM 972 CD GLU A 68 -4.401 -5.418 -1.979 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.252 -4.421 -2.721 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.678 -6.434 -2.034 1.00 0.00 O ATOM 0 H GLU A 68 -7.429 -3.777 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.823 -5.608 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.729 -6.659 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.753 -4.960 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.671 -4.472 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.499 -6.201 -0.347 1.00 0.00 H new ATOM 981 N LEU A 69 -8.170 -6.426 0.933 1.00 0.00 N ATOM 982 CA LEU A 69 -8.642 -7.406 1.912 1.00 0.00 C ATOM 983 C LEU A 69 -10.171 -7.518 1.939 1.00 0.00 C ATOM 984 O LEU A 69 -10.713 -8.539 2.379 1.00 0.00 O ATOM 985 CB LEU A 69 -8.080 -7.153 3.316 1.00 0.00 C ATOM 986 CG LEU A 69 -6.585 -7.435 3.503 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.133 -7.038 4.893 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.286 -8.904 3.263 1.00 0.00 C ATOM 0 H LEU A 69 -7.645 -5.643 1.322 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.253 -8.368 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.269 -6.112 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.636 -7.767 4.024 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.036 -6.839 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.069 -7.247 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.311 -5.973 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.693 -7.608 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.220 -9.085 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.851 -9.511 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.572 -9.172 2.246 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.880 -6.483 1.523 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.314 -6.583 1.457 1.00 0.00 C ATOM 1002 C LYS A 70 -12.765 -7.239 0.165 1.00 0.00 C ATOM 1003 O LYS A 70 -13.749 -7.968 0.143 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.995 -5.252 1.710 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.874 -4.264 0.643 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.594 -3.034 1.016 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.452 -2.045 -0.061 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.951 -0.724 0.337 1.00 0.00 N ATOM 0 H LYS A 70 -10.491 -5.586 1.233 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.632 -7.237 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.054 -5.436 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.585 -4.823 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.823 -4.040 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.280 -4.666 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.648 -3.253 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.196 -2.634 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.402 -1.966 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.995 -2.388 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.832 -0.056 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.959 -0.793 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.416 -0.385 1.162 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.022 -7.016 -0.913 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.361 -7.637 -2.204 1.00 0.00 C ATOM 1024 C TYR A 71 -11.677 -8.984 -2.409 1.00 0.00 C ATOM 1025 O TYR A 71 -12.073 -9.795 -3.262 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.095 -6.665 -3.358 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.112 -5.527 -3.402 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -14.066 -5.382 -2.394 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -13.135 -4.621 -4.443 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.994 -4.395 -2.417 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -14.074 -3.608 -4.476 1.00 0.00 C ATOM 1032 CZ TYR A 71 -15.004 -3.502 -3.460 1.00 0.00 C ATOM 1033 OH TYR A 71 -15.951 -2.497 -3.496 1.00 0.00 O ATOM 0 H TYR A 71 -11.193 -6.422 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.429 -7.853 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.092 -6.250 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.121 -7.209 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.065 -6.079 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.411 -4.705 -5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.720 -4.311 -1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.081 -2.902 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.819 -1.951 -4.299 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.679 -9.204 -1.634 1.00 0.00 N ATOM 1044 CA CYS A 72 -9.943 -10.423 -1.571 1.00 0.00 C ATOM 1045 C CYS A 72 -9.968 -10.897 -0.140 1.00 0.00 C ATOM 1046 O CYS A 72 -9.161 -10.474 0.694 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.493 -10.210 -2.026 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.317 -9.719 -3.753 1.00 0.00 S ATOM 0 H CYS A 72 -10.329 -8.498 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.392 -11.163 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.036 -9.447 -1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.935 -11.133 -1.865 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.623 -10.615 -4.390 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.920 -11.742 0.158 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.109 -12.270 1.497 1.00 0.00 C ATOM 1056 C LYS A 73 -10.064 -13.317 1.801 1.00 0.00 C ATOM 1057 O LYS A 73 -9.954 -13.826 2.924 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.501 -12.860 1.614 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.620 -11.842 1.323 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.664 -10.689 2.335 1.00 0.00 C ATOM 1061 CE LYS A 73 -13.942 -11.165 3.757 1.00 0.00 C ATOM 1062 NZ LYS A 73 -14.076 -10.032 4.704 1.00 0.00 N ATOM 0 H LYS A 73 -11.595 -12.090 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.001 -11.462 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.592 -13.698 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.635 -13.260 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.480 -11.434 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.581 -12.357 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.714 -10.156 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.435 -9.978 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.857 -11.758 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.134 -11.819 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.264 -10.398 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.194 -9.480 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.863 -9.422 4.406 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.306 -13.631 0.801 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.266 -14.582 0.897 1.00 0.00 C ATOM 1078 C ASN A 74 -6.950 -13.872 0.626 1.00 0.00 C ATOM 1079 O ASN A 74 -6.653 -13.525 -0.513 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.505 -15.713 -0.109 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.891 -16.328 0.043 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.839 -15.946 -0.652 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.043 -17.206 0.984 1.00 0.00 N ATOM 0 H ASN A 74 -9.402 -13.218 -0.126 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.237 -15.026 1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.388 -15.328 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.748 -16.486 0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.965 -17.602 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.241 -17.501 1.541 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.148 -13.601 1.678 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.873 -12.865 1.551 1.00 0.00 C ATOM 1092 C PRO A 75 -3.763 -13.623 0.893 1.00 0.00 C ATOM 1093 O PRO A 75 -2.628 -13.174 0.836 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.461 -12.578 2.937 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.197 -13.560 3.810 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.441 -13.954 3.081 1.00 0.00 C ATOM 0 HA PRO A 75 -5.043 -11.993 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.383 -12.688 3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.708 -11.553 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.577 -14.433 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.441 -13.111 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.650 -15.018 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.312 -13.417 3.456 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.087 -14.747 0.405 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.218 -15.532 -0.407 1.00 0.00 C ATOM 1106 C GLU A 76 -3.077 -14.839 -1.779 1.00 0.00 C ATOM 1107 O GLU A 76 -2.266 -15.215 -2.619 1.00 0.00 O ATOM 1108 CB GLU A 76 -3.803 -16.936 -0.555 1.00 0.00 C ATOM 1109 CG GLU A 76 -2.781 -17.989 -0.910 1.00 0.00 C ATOM 1110 CD GLU A 76 -1.735 -18.134 0.174 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -0.779 -17.334 0.198 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -1.886 -19.015 1.035 1.00 0.00 O ATOM 0 H GLU A 76 -4.999 -15.176 0.558 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.232 -15.621 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.290 -17.216 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.575 -16.918 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.281 -18.945 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.298 -17.726 -1.851 1.00 0.00 H new ATOM 1119 N ASP A 77 -3.873 -13.794 -1.945 1.00 0.00 N ATOM 1120 CA ASP A 77 -3.907 -12.968 -3.153 1.00 0.00 C ATOM 1121 C ASP A 77 -3.492 -11.536 -2.783 1.00 0.00 C ATOM 1122 O ASP A 77 -3.411 -10.640 -3.627 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.323 -13.001 -3.763 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.470 -12.221 -5.064 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -4.833 -12.585 -6.068 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.274 -11.268 -5.122 1.00 0.00 O ATOM 0 H ASP A 77 -4.531 -13.485 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.212 -13.353 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.603 -14.039 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.028 -12.602 -3.034 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.183 -11.347 -1.511 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.776 -10.091 -0.981 1.00 0.00 C ATOM 1133 C LEU A 78 -1.280 -9.973 -1.192 1.00 0.00 C ATOM 1134 O LEU A 78 -0.471 -10.566 -0.473 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.100 -10.062 0.488 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.697 -8.843 1.243 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.621 -7.677 1.017 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.525 -9.132 2.681 1.00 0.00 C ATOM 0 H LEU A 78 -3.214 -12.092 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.288 -9.263 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.177 -10.190 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.626 -10.924 0.957 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.729 -8.541 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.273 -6.820 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.631 -7.421 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.629 -7.944 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.231 -8.221 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.465 -9.499 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.752 -9.890 2.810 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.950 -9.294 -2.210 1.00 0.00 N ATOM 1151 CA GLU A 79 0.371 -9.130 -2.667 1.00 0.00 C ATOM 1152 C GLU A 79 0.492 -7.745 -3.214 1.00 0.00 C ATOM 1153 O GLU A 79 -0.446 -7.253 -3.799 1.00 0.00 O ATOM 1154 CB GLU A 79 0.534 -10.091 -3.810 1.00 0.00 C ATOM 1155 CG GLU A 79 1.836 -10.033 -4.527 1.00 0.00 C ATOM 1156 CD GLU A 79 2.981 -10.447 -3.663 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.517 -9.598 -2.925 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.353 -11.611 -3.691 1.00 0.00 O ATOM 0 H GLU A 79 -1.635 -8.805 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 79 1.106 -9.298 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.395 -11.103 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.264 -9.908 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.794 -10.679 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.004 -9.018 -4.887 1.00 0.00 H new ATOM 1165 N CYS A 80 1.649 -7.149 -3.092 1.00 0.00 N ATOM 1166 CA CYS A 80 1.893 -5.855 -3.690 1.00 0.00 C ATOM 1167 C CYS A 80 2.276 -6.114 -5.129 1.00 0.00 C ATOM 1168 O CYS A 80 3.436 -6.007 -5.531 1.00 0.00 O ATOM 1169 CB CYS A 80 2.983 -5.041 -2.932 1.00 0.00 C ATOM 1170 SG CYS A 80 3.452 -3.462 -3.691 1.00 0.00 S ATOM 0 H CYS A 80 2.443 -7.538 -2.583 1.00 0.00 H new ATOM 0 HA CYS A 80 0.998 -5.235 -3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.627 -4.846 -1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.876 -5.660 -2.842 1.00 0.00 H new ATOM 0 HG CYS A 80 3.724 -3.649 -4.948 1.00 0.00 H new ATOM 1176 N ASN A 81 1.304 -6.548 -5.880 1.00 0.00 N ATOM 1177 CA ASN A 81 1.545 -6.969 -7.241 1.00 0.00 C ATOM 1178 C ASN A 81 1.227 -5.824 -8.162 1.00 0.00 C ATOM 1179 O ASN A 81 0.926 -4.744 -7.707 1.00 0.00 O ATOM 1180 CB ASN A 81 0.696 -8.168 -7.628 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.797 -7.801 -7.691 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.255 -7.284 -8.613 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.506 -8.058 -6.725 1.00 0.00 N ATOM 0 H ASN A 81 0.333 -6.622 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 81 2.591 -7.263 -7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.020 -8.548 -8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.845 -8.970 -6.905 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.496 -7.814 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.106 -8.516 -5.906 1.00 0.00 H new ATOM 1190 N GLU A 82 1.222 -6.108 -9.436 1.00 0.00 N ATOM 1191 CA GLU A 82 0.935 -5.165 -10.494 1.00 0.00 C ATOM 1192 C GLU A 82 -0.411 -4.472 -10.299 1.00 0.00 C ATOM 1193 O GLU A 82 -0.486 -3.258 -10.261 1.00 0.00 O ATOM 1194 CB GLU A 82 0.874 -5.921 -11.763 1.00 0.00 C ATOM 1195 CG GLU A 82 2.173 -6.545 -12.194 1.00 0.00 C ATOM 1196 CD GLU A 82 2.073 -7.148 -13.562 1.00 0.00 C ATOM 1197 OE1 GLU A 82 1.628 -8.305 -13.684 1.00 0.00 O ATOM 1198 OE2 GLU A 82 2.437 -6.469 -14.546 1.00 0.00 O ATOM 0 H GLU A 82 1.427 -7.044 -9.785 1.00 0.00 H new ATOM 0 HA GLU A 82 1.714 -4.402 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.126 -6.707 -11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.531 -5.251 -12.551 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.959 -5.790 -12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.462 -7.314 -11.478 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.448 -5.289 -10.172 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.825 -4.878 -9.901 1.00 0.00 C ATOM 1207 C ASN A 83 -2.832 -3.975 -8.737 1.00 0.00 C ATOM 1208 O ASN A 83 -3.394 -2.870 -8.787 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.695 -6.121 -9.548 1.00 0.00 C ATOM 1210 CG ASN A 83 -5.101 -5.774 -9.072 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.343 -5.614 -7.876 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -6.027 -5.654 -9.988 1.00 0.00 N ATOM 0 H ASN A 83 -1.352 -6.301 -10.258 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.227 -4.383 -10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.767 -6.763 -10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.191 -6.697 -8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.983 -5.421 -9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.793 -5.793 -10.971 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.164 -4.417 -7.686 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.147 -3.646 -6.478 1.00 0.00 C ATOM 1221 C VAL A 84 -1.439 -2.320 -6.668 1.00 0.00 C ATOM 1222 O VAL A 84 -1.991 -1.279 -6.336 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.594 -4.437 -5.319 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.442 -3.597 -4.089 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.525 -5.541 -5.035 1.00 0.00 C ATOM 0 H VAL A 84 -1.638 -5.291 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.181 -3.410 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.605 -4.807 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.041 -4.207 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.760 -2.772 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.414 -3.200 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.147 -6.130 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.504 -5.135 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.614 -6.177 -5.916 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.263 -2.365 -7.259 1.00 0.00 N ATOM 1236 CA LYS A 85 0.527 -1.166 -7.534 1.00 0.00 C ATOM 1237 C LYS A 85 -0.263 -0.184 -8.329 1.00 0.00 C ATOM 1238 O LYS A 85 -0.418 0.948 -7.921 1.00 0.00 O ATOM 1239 CB LYS A 85 1.772 -1.515 -8.306 1.00 0.00 C ATOM 1240 CG LYS A 85 2.712 -2.376 -7.547 1.00 0.00 C ATOM 1241 CD LYS A 85 3.832 -2.830 -8.416 1.00 0.00 C ATOM 1242 CE LYS A 85 4.600 -3.885 -7.711 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.680 -4.435 -8.538 1.00 0.00 N ATOM 0 H LYS A 85 0.179 -3.231 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 85 0.800 -0.727 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.489 -2.023 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.283 -0.596 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.108 -1.826 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.180 -3.241 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.443 -3.215 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.483 -1.990 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.021 -3.473 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.924 -4.689 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.188 -5.168 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.278 -4.853 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.341 -3.675 -8.797 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.816 -0.672 -9.415 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.602 0.106 -10.363 1.00 0.00 C ATOM 1259 C HIS A 86 -2.696 0.862 -9.616 1.00 0.00 C ATOM 1260 O HIS A 86 -2.802 2.093 -9.670 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.219 -0.857 -11.395 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.083 -0.222 -12.433 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -4.306 -0.722 -12.784 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.874 0.842 -13.225 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.816 -0.004 -13.746 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.969 0.961 -14.040 1.00 0.00 N ATOM 0 H HIS A 86 -0.732 -1.654 -9.678 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.971 0.831 -10.877 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.411 -1.390 -11.897 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.810 -1.602 -10.862 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.005 1.484 -13.220 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.771 -0.172 -14.221 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.105 1.676 -14.754 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.425 0.113 -8.860 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.539 0.584 -8.078 1.00 0.00 C ATOM 1276 C LYS A 87 -4.080 1.607 -7.065 1.00 0.00 C ATOM 1277 O LYS A 87 -4.723 2.634 -6.870 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.167 -0.608 -7.417 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.305 -0.343 -6.482 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.768 -1.649 -5.877 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.665 -2.302 -5.034 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.056 -3.592 -4.452 1.00 0.00 N ATOM 0 H LYS A 87 -3.261 -0.889 -8.760 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.274 1.080 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.519 -1.282 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.391 -1.138 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.993 0.345 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.126 0.135 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.646 -1.472 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.072 -2.331 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.781 -2.446 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.382 -1.621 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.552 -3.735 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.081 -3.598 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.812 -4.358 -5.111 1.00 0.00 H new ATOM 1296 N THR A 88 -2.951 1.367 -6.532 1.00 0.00 N ATOM 1297 CA THR A 88 -2.427 2.118 -5.498 1.00 0.00 C ATOM 1298 C THR A 88 -1.966 3.445 -5.959 1.00 0.00 C ATOM 1299 O THR A 88 -2.482 4.423 -5.523 1.00 0.00 O ATOM 1300 CB THR A 88 -1.319 1.356 -4.863 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.877 0.252 -4.187 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.527 2.225 -3.942 1.00 0.00 C ATOM 0 H THR A 88 -2.346 0.601 -6.828 1.00 0.00 H new ATOM 0 HA THR A 88 -3.212 2.302 -4.764 1.00 0.00 H new ATOM 0 HB THR A 88 -0.624 1.002 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.959 -0.503 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.276 1.641 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.101 3.057 -4.503 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.178 2.612 -3.158 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.034 3.480 -6.862 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.535 4.742 -7.337 1.00 0.00 C ATOM 1312 C LYS A 89 -1.637 5.605 -7.983 1.00 0.00 C ATOM 1313 O LYS A 89 -1.628 6.841 -7.842 1.00 0.00 O ATOM 1314 CB LYS A 89 0.723 4.563 -8.207 1.00 0.00 C ATOM 1315 CG LYS A 89 0.669 3.370 -9.124 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.268 3.540 -10.226 1.00 0.00 C ATOM 1317 CE LYS A 89 0.334 4.348 -11.360 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.490 3.652 -11.985 1.00 0.00 N ATOM 0 H LYS A 89 -0.604 2.658 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.210 5.318 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.869 5.462 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.592 4.469 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.665 3.183 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.387 2.489 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.572 2.562 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.168 4.037 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.428 4.536 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.656 5.319 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.606 3.982 -12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.354 3.860 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.320 2.626 -11.983 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.622 4.942 -8.650 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.786 5.686 -9.182 1.00 0.00 C ATOM 1334 C GLU A 90 -4.612 6.251 -8.030 1.00 0.00 C ATOM 1335 O GLU A 90 -5.049 7.434 -8.062 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.704 4.840 -10.071 1.00 0.00 C ATOM 1337 CG GLU A 90 -4.062 4.277 -11.317 1.00 0.00 C ATOM 1338 CD GLU A 90 -5.086 3.714 -12.276 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.872 2.818 -11.886 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -5.127 4.170 -13.442 1.00 0.00 O ATOM 0 H GLU A 90 -2.632 3.937 -8.824 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.374 6.482 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.094 4.012 -9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.558 5.450 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.490 5.060 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.356 3.494 -11.039 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.730 5.450 -6.968 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.501 5.822 -5.805 1.00 0.00 C ATOM 1349 C TYR A 91 -4.829 6.969 -5.140 1.00 0.00 C ATOM 1350 O TYR A 91 -5.451 7.929 -4.851 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.624 4.635 -4.832 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.980 4.982 -3.392 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.188 5.567 -3.063 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.099 4.676 -2.359 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.514 5.834 -1.751 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.411 4.949 -1.046 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.625 5.527 -0.747 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.967 5.771 0.566 1.00 0.00 O ATOM 0 H TYR A 91 -4.291 4.532 -6.901 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.508 6.107 -6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.381 3.953 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.678 4.093 -4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.887 5.819 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.151 4.215 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.466 6.284 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.711 4.712 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.876 6.728 0.755 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.543 6.830 -4.940 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.682 7.844 -4.319 1.00 0.00 C ATOM 1370 C ILE A 92 -2.818 9.179 -4.982 1.00 0.00 C ATOM 1371 O ILE A 92 -3.063 10.171 -4.298 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.215 7.413 -4.384 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -1.011 6.129 -3.584 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.286 8.547 -3.924 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.596 6.307 -2.193 1.00 0.00 C ATOM 0 H ILE A 92 -3.036 5.987 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.003 7.936 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.951 7.199 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.943 5.563 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.262 5.521 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.750 8.214 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.424 9.415 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.525 8.818 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.481 5.332 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.354 6.840 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.352 6.882 -1.659 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.631 9.216 -6.295 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.760 10.458 -7.012 1.00 0.00 C ATOM 1389 C LYS A 93 -4.120 11.051 -6.738 1.00 0.00 C ATOM 1390 O LYS A 93 -4.226 12.137 -6.142 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.528 10.273 -8.520 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.109 9.840 -8.881 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.924 9.744 -10.386 1.00 0.00 C ATOM 1394 CE LYS A 93 0.501 9.338 -10.770 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.515 10.321 -10.324 1.00 0.00 N ATOM 0 H LYS A 93 -2.393 8.408 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.990 11.145 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.231 9.530 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.752 11.210 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.394 10.553 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.895 8.874 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.628 9.017 -10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.161 10.706 -10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.727 8.365 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.563 9.224 -11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.438 10.079 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.235 11.273 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.585 10.301 -9.287 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.140 10.243 -6.949 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.513 10.715 -6.850 1.00 0.00 C ATOM 1411 C LYS A 94 -6.812 11.134 -5.419 1.00 0.00 C ATOM 1412 O LYS A 94 -7.577 12.069 -5.170 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.471 9.615 -7.305 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.957 9.941 -7.200 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.810 8.746 -7.623 1.00 0.00 C ATOM 1416 CE LYS A 94 -9.596 7.536 -6.708 1.00 0.00 C ATOM 1417 NZ LYS A 94 -10.330 6.348 -7.174 1.00 0.00 N ATOM 0 H LYS A 94 -5.047 9.256 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.648 11.581 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.245 9.369 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.272 8.720 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.200 10.221 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.190 10.800 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.863 9.029 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.567 8.472 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.532 7.306 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.918 7.786 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.155 5.555 -6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.348 6.557 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.006 6.092 -8.128 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.202 10.437 -4.505 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.327 10.703 -3.137 1.00 0.00 C ATOM 1433 C TYR A 95 -5.749 12.070 -2.816 1.00 0.00 C ATOM 1434 O TYR A 95 -6.430 12.907 -2.311 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.610 9.598 -2.382 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.632 9.731 -0.889 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -4.837 10.643 -0.246 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -6.465 8.950 -0.138 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -4.856 10.772 1.114 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -6.502 9.060 1.228 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.696 9.969 1.854 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.699 10.042 3.222 1.00 0.00 O ATOM 0 H TYR A 95 -5.590 9.649 -4.717 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.375 10.723 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.060 8.643 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.572 9.567 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.181 11.274 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.106 8.233 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.220 11.495 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.164 8.432 1.806 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.091 10.895 3.503 1.00 0.00 H new ATOM 1452 N MET A 96 -4.499 12.289 -3.155 1.00 0.00 N ATOM 1453 CA MET A 96 -3.830 13.506 -2.819 1.00 0.00 C ATOM 1454 C MET A 96 -4.425 14.721 -3.497 1.00 0.00 C ATOM 1455 O MET A 96 -4.224 15.853 -3.045 1.00 0.00 O ATOM 1456 CB MET A 96 -2.356 13.393 -3.058 1.00 0.00 C ATOM 1457 CG MET A 96 -1.742 12.223 -2.302 1.00 0.00 C ATOM 1458 SD MET A 96 -0.067 12.497 -1.795 1.00 0.00 S ATOM 1459 CE MET A 96 -0.315 13.956 -0.827 1.00 0.00 C ATOM 0 H MET A 96 -3.925 11.623 -3.672 1.00 0.00 H new ATOM 0 HA MET A 96 -3.986 13.663 -1.752 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.170 13.272 -4.125 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.867 14.318 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.349 12.014 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.780 11.335 -2.933 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.533 14.096 -0.157 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.403 14.819 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.228 13.853 -0.240 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.201 14.480 -4.553 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.908 15.565 -5.235 1.00 0.00 C ATOM 1471 C GLN A 97 -6.925 16.212 -4.295 1.00 0.00 C ATOM 1472 O GLN A 97 -7.310 17.359 -4.479 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.614 15.103 -6.520 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.752 14.299 -7.473 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.392 14.906 -7.728 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.208 15.708 -8.638 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.419 14.483 -6.939 1.00 0.00 N ATOM 0 H GLN A 97 -5.356 13.554 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.151 16.295 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.481 14.503 -6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.989 15.981 -7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.621 13.295 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.277 14.195 -8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.620 13.815 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.468 14.825 -7.075 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.303 15.489 -3.248 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.284 15.972 -2.309 1.00 0.00 C ATOM 1488 C LYS A 98 -7.686 17.033 -1.384 1.00 0.00 C ATOM 1489 O LYS A 98 -8.417 17.742 -0.692 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.840 14.831 -1.459 1.00 0.00 C ATOM 1491 CG LYS A 98 -7.914 14.351 -0.339 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.688 14.026 0.915 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.323 15.266 1.591 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.405 15.961 0.843 1.00 0.00 N ATOM 0 H LYS A 98 -6.937 14.561 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.092 16.415 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.783 15.153 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.064 13.987 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.368 13.468 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.174 15.121 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.475 13.313 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.023 13.536 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.723 14.958 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.530 15.987 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.010 16.481 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.985 16.628 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.978 15.261 0.330 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.369 17.090 -1.323 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.699 18.047 -0.471 1.00 0.00 C ATOM 1510 C PHE A 99 -5.523 19.379 -1.178 1.00 0.00 C ATOM 1511 O PHE A 99 -5.577 20.439 -0.554 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.348 17.518 0.014 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.417 16.294 0.888 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.064 16.340 2.108 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.798 15.114 0.508 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.110 15.234 2.932 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.836 13.999 1.329 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.501 14.063 2.548 1.00 0.00 C ATOM 0 H PHE A 99 -5.744 16.484 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.333 18.201 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.731 17.290 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.842 18.311 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.541 17.256 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.280 15.063 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.625 15.289 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.351 13.084 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.539 13.196 3.191 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.317 19.326 -2.465 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.148 20.511 -3.225 1.00 0.00 C ATOM 1530 C GLY A 100 -3.703 20.789 -3.439 1.00 0.00 C ATOM 1531 O GLY A 100 -2.985 19.977 -4.004 1.00 0.00 O ATOM 0 H GLY A 100 -5.264 18.462 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.651 20.409 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.614 21.351 -2.709 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.257 21.881 -2.944 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.891 22.275 -3.113 1.00 0.00 C ATOM 1537 C ALA A 101 -1.002 21.614 -2.070 1.00 0.00 C ATOM 1538 O ALA A 101 0.077 21.098 -2.398 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.773 23.780 -3.051 1.00 0.00 C ATOM 0 H ALA A 101 -3.823 22.537 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.552 21.942 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.730 24.069 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.374 24.225 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.130 24.133 -2.084 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.458 21.573 -0.835 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.632 21.038 0.244 1.00 0.00 C ATOM 1547 C VAL A 102 -1.381 19.896 0.901 1.00 0.00 C ATOM 1548 O VAL A 102 -2.605 19.857 0.881 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.300 22.093 1.324 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.006 21.802 2.016 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.358 23.511 0.800 1.00 0.00 C ATOM 0 H VAL A 102 -2.382 21.897 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 102 0.310 20.709 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.087 22.014 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.199 22.569 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.952 20.826 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.813 21.800 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.116 24.206 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.361 23.629 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.361 23.721 0.429 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.643 18.989 1.469 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.175 17.859 2.151 1.00 0.00 C ATOM 1563 C TYR A 103 -1.598 18.263 3.543 1.00 0.00 C ATOM 1564 O TYR A 103 -0.769 18.514 4.436 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.162 16.694 2.136 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.366 15.620 3.188 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.601 15.122 3.480 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.699 15.130 3.890 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.781 14.174 4.451 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.537 14.169 4.859 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.704 13.696 5.139 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.877 12.757 6.136 1.00 0.00 O ATOM 0 H TYR A 103 0.376 19.021 1.467 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.065 17.495 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.195 16.223 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.839 17.108 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.458 15.484 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.689 15.506 3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.772 13.806 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.395 13.791 5.396 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.006 12.525 6.522 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.874 18.391 3.690 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.486 18.742 4.938 1.00 0.00 C ATOM 1584 C LYS A 104 -4.354 17.576 5.434 1.00 0.00 C ATOM 1585 O LYS A 104 -5.517 17.487 5.076 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.362 19.960 4.722 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.660 21.108 4.033 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.648 22.165 3.641 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.011 23.274 2.850 1.00 0.00 C ATOM 1590 NZ LYS A 104 -5.020 24.238 2.388 1.00 0.00 N ATOM 0 H LYS A 104 -3.541 18.252 2.931 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.717 18.957 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.230 19.670 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.735 20.302 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.907 21.533 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.137 20.744 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.446 21.713 3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.109 22.579 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.270 23.785 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.482 22.857 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.555 24.993 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.713 23.752 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.507 24.651 3.209 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.795 16.656 6.236 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.536 15.487 6.757 1.00 0.00 C ATOM 1606 C PRO A 105 -5.675 15.904 7.691 1.00 0.00 C ATOM 1607 O PRO A 105 -6.633 15.185 7.890 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.480 14.692 7.513 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.405 15.663 7.790 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.412 16.668 6.689 1.00 0.00 C ATOM 0 HA PRO A 105 -5.012 14.916 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.884 14.275 8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.114 13.855 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.566 16.148 8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.439 15.160 7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.113 17.655 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.724 16.394 5.889 1.00 0.00 H new