USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 12 LYS NZ :NH3+ -129:sc= -0.472 (180deg=-1.35) USER MOD Set 1.2: A 79 SER OG : rot -169:sc= -0.156 USER MOD Single : A 15 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-6.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00363) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0276 (180deg=-0.225) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 20:sc= 0.808 USER MOD Single : A 45 MET CE :methyl 143:sc= -0.87 (180deg=-2.77!) USER MOD Single : A 48 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-5!) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 THR OG1 : rot 33:sc= 0.504 USER MOD Single : A 51 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.5!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 60 THR OG1 : rot -5:sc= 0.372 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.93 F(o=-1.7!,f=-0.93) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 91:sc= 0.293 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.1 F(o=-1.6!,f=-0.1) USER MOD Single : A 77 MET CE :methyl -139:sc= -0.177 (180deg=-1.28) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.854 13.171 -9.925 1.00 0.00 N ATOM 67 CA ASP A 8 -1.151 12.052 -9.308 1.00 0.00 C ATOM 68 C ASP A 8 -1.995 11.420 -8.206 1.00 0.00 C ATOM 69 O ASP A 8 -3.001 11.987 -7.778 1.00 0.00 O ATOM 70 CB ASP A 8 0.190 12.517 -8.738 1.00 0.00 C ATOM 71 CG ASP A 8 0.858 13.563 -9.608 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.281 14.659 -9.768 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.958 13.286 -10.129 1.00 0.00 O ATOM 0 HA ASP A 8 -0.970 11.301 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.035 12.925 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.854 11.659 -8.632 1.00 0.00 H new ATOM 78 N VAL A 9 -1.580 10.243 -7.751 1.00 0.00 N ATOM 79 CA VAL A 9 -2.298 9.534 -6.698 1.00 0.00 C ATOM 80 C VAL A 9 -1.518 9.557 -5.389 1.00 0.00 C ATOM 81 O VAL A 9 -0.471 8.922 -5.267 1.00 0.00 O ATOM 82 CB VAL A 9 -2.572 8.070 -7.093 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.270 7.333 -5.961 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.398 8.009 -8.369 1.00 0.00 C ATOM 0 H VAL A 9 -0.750 9.760 -8.095 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.248 10.050 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.618 7.578 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.455 6.301 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.638 7.347 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.218 7.822 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.582 6.968 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.349 8.517 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.855 8.498 -9.178 1.00 0.00 H new ATOM 94 N ARG A 10 -2.035 10.294 -4.411 1.00 0.00 N ATOM 95 CA ARG A 10 -1.387 10.401 -3.110 1.00 0.00 C ATOM 96 C ARG A 10 -1.596 9.130 -2.292 1.00 0.00 C ATOM 97 O ARG A 10 -2.726 8.684 -2.096 1.00 0.00 O ATOM 98 CB ARG A 10 -1.930 11.609 -2.344 1.00 0.00 C ATOM 99 CG ARG A 10 -0.955 12.171 -1.322 1.00 0.00 C ATOM 100 CD ARG A 10 -1.485 13.448 -0.689 1.00 0.00 C ATOM 101 NE ARG A 10 -1.316 14.604 -1.565 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.216 14.982 -2.465 1.00 0.00 C ATOM 103 NH1 ARG A 10 -3.344 14.299 -2.608 1.00 0.00 N ATOM 104 NH2 ARG A 10 -1.990 16.046 -3.226 1.00 0.00 N ATOM 0 H ARG A 10 -2.901 10.826 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.318 10.534 -3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.189 12.393 -3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.851 11.322 -1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.772 11.428 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.002 12.372 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.542 13.324 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.967 13.628 0.253 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.459 15.151 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.522 13.481 -2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.033 14.592 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.124 16.574 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.682 16.335 -3.917 1.00 0.00 H new ATOM 118 N VAL A 11 -0.497 8.551 -1.817 1.00 0.00 N ATOM 119 CA VAL A 11 -0.560 7.332 -1.020 1.00 0.00 C ATOM 120 C VAL A 11 0.173 7.504 0.306 1.00 0.00 C ATOM 121 O VAL A 11 1.401 7.578 0.344 1.00 0.00 O ATOM 122 CB VAL A 11 0.046 6.135 -1.777 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.012 4.884 -0.912 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.691 5.907 -3.088 1.00 0.00 C ATOM 0 H VAL A 11 0.447 8.907 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.614 7.134 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 11 1.087 6.361 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.444 4.049 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.587 5.055 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.020 4.651 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.250 5.058 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.742 5.702 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.610 6.798 -3.711 1.00 0.00 H new ATOM 134 N LYS A 12 -0.589 7.567 1.393 1.00 0.00 N ATOM 135 CA LYS A 12 -0.013 7.729 2.723 1.00 0.00 C ATOM 136 C LYS A 12 0.314 6.374 3.342 1.00 0.00 C ATOM 137 O LYS A 12 -0.532 5.481 3.390 1.00 0.00 O ATOM 138 CB LYS A 12 -0.979 8.496 3.629 1.00 0.00 C ATOM 139 CG LYS A 12 -0.307 9.131 4.834 1.00 0.00 C ATOM 140 CD LYS A 12 -1.319 9.503 5.905 1.00 0.00 C ATOM 141 CE LYS A 12 -2.196 10.664 5.464 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.378 10.202 4.686 1.00 0.00 N ATOM 0 H LYS A 12 -1.607 7.508 1.379 1.00 0.00 H new ATOM 0 HA LYS A 12 0.912 8.297 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.471 9.274 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.758 7.816 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.426 8.440 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.237 10.022 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.944 8.639 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.797 9.769 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.532 11.218 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.608 11.353 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.439 10.737 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.280 9.189 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.242 10.357 5.243 1.00 0.00 H new ATOM 156 N PHE A 13 1.547 6.228 3.817 1.00 0.00 N ATOM 157 CA PHE A 13 1.985 4.982 4.435 1.00 0.00 C ATOM 158 C PHE A 13 1.880 5.061 5.955 1.00 0.00 C ATOM 159 O PHE A 13 1.802 6.149 6.525 1.00 0.00 O ATOM 160 CB PHE A 13 3.426 4.666 4.028 1.00 0.00 C ATOM 161 CG PHE A 13 3.554 4.162 2.619 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.712 3.170 2.144 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.516 4.682 1.768 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.828 2.704 0.848 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.637 4.221 0.471 1.00 0.00 C ATOM 166 CZ PHE A 13 3.791 3.231 0.010 1.00 0.00 C ATOM 0 H PHE A 13 2.260 6.957 3.786 1.00 0.00 H new ATOM 0 HA PHE A 13 1.331 4.183 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.032 5.565 4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.833 3.920 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.956 2.756 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.179 5.457 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.166 1.929 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.392 4.634 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.882 2.870 -1.004 1.00 0.00 H new ATOM 176 N GLU A 14 1.878 3.901 6.604 1.00 0.00 N ATOM 177 CA GLU A 14 1.781 3.840 8.057 1.00 0.00 C ATOM 178 C GLU A 14 2.480 2.595 8.597 1.00 0.00 C ATOM 179 O GLU A 14 2.144 1.470 8.226 1.00 0.00 O ATOM 180 CB GLU A 14 0.314 3.844 8.493 1.00 0.00 C ATOM 181 CG GLU A 14 -0.257 5.238 8.694 1.00 0.00 C ATOM 182 CD GLU A 14 -1.773 5.253 8.688 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.376 4.824 9.693 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.357 5.695 7.676 1.00 0.00 O ATOM 0 H GLU A 14 1.942 2.992 6.147 1.00 0.00 H new ATOM 0 HA GLU A 14 2.277 4.720 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.281 3.321 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.218 3.284 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.103 5.641 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.112 5.895 7.907 1.00 0.00 H new ATOM 191 N HIS A 15 3.455 2.805 9.476 1.00 0.00 N ATOM 192 CA HIS A 15 4.202 1.701 10.068 1.00 0.00 C ATOM 193 C HIS A 15 4.696 2.066 11.464 1.00 0.00 C ATOM 194 O HIS A 15 5.250 3.145 11.675 1.00 0.00 O ATOM 195 CB HIS A 15 5.386 1.324 9.177 1.00 0.00 C ATOM 196 CG HIS A 15 5.760 -0.124 9.259 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.723 -0.846 10.434 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.178 -0.986 8.303 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.104 -2.088 10.197 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.385 -2.200 8.911 1.00 0.00 N ATOM 0 H HIS A 15 3.746 3.729 9.794 1.00 0.00 H new ATOM 0 HA HIS A 15 3.533 0.845 10.152 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.145 1.571 8.143 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.248 1.930 9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.322 -0.761 7.257 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.174 -2.878 10.930 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.704 -3.050 8.445 1.00 0.00 H new ATOM 209 N ARG A 16 4.491 1.160 12.415 1.00 0.00 N ATOM 210 CA ARG A 16 4.914 1.388 13.791 1.00 0.00 C ATOM 211 C ARG A 16 4.672 2.837 14.202 1.00 0.00 C ATOM 212 O ARG A 16 5.371 3.376 15.058 1.00 0.00 O ATOM 213 CB ARG A 16 6.395 1.041 13.956 1.00 0.00 C ATOM 214 CG ARG A 16 6.683 -0.449 13.888 1.00 0.00 C ATOM 215 CD ARG A 16 8.116 -0.721 13.457 1.00 0.00 C ATOM 216 NE ARG A 16 8.452 -0.036 12.212 1.00 0.00 N ATOM 217 CZ ARG A 16 9.696 0.128 11.776 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.716 -0.342 12.481 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.922 0.763 10.633 1.00 0.00 N ATOM 0 H ARG A 16 4.035 0.262 12.257 1.00 0.00 H new ATOM 0 HA ARG A 16 4.321 0.741 14.438 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.967 1.549 13.179 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.745 1.427 14.913 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.504 -0.900 14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.995 -0.922 13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.798 -0.399 14.244 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.259 -1.794 13.330 1.00 0.00 H new ATOM 0 HE ARG A 16 7.690 0.337 11.646 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.546 -0.831 13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.670 -0.215 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.140 1.126 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.878 0.888 10.299 1.00 0.00 H new ATOM 233 N GLY A 17 3.674 3.463 13.583 1.00 0.00 N ATOM 234 CA GLY A 17 3.358 4.844 13.897 1.00 0.00 C ATOM 235 C GLY A 17 3.835 5.806 12.828 1.00 0.00 C ATOM 236 O GLY A 17 3.165 6.794 12.528 1.00 0.00 O ATOM 0 H GLY A 17 3.080 3.038 12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.280 4.948 14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.814 5.110 14.850 1.00 0.00 H new ATOM 240 N GLU A 18 4.998 5.519 12.252 1.00 0.00 N ATOM 241 CA GLU A 18 5.566 6.368 11.211 1.00 0.00 C ATOM 242 C GLU A 18 4.651 6.417 9.990 1.00 0.00 C ATOM 243 O GLU A 18 3.836 5.521 9.774 1.00 0.00 O ATOM 244 CB GLU A 18 6.950 5.859 10.805 1.00 0.00 C ATOM 245 CG GLU A 18 6.914 4.804 9.711 1.00 0.00 C ATOM 246 CD GLU A 18 8.071 3.828 9.804 1.00 0.00 C ATOM 247 OE1 GLU A 18 7.973 2.865 10.593 1.00 0.00 O ATOM 248 OE2 GLU A 18 9.073 4.028 9.087 1.00 0.00 O ATOM 0 H GLU A 18 5.565 4.705 12.489 1.00 0.00 H new ATOM 0 HA GLU A 18 5.662 7.377 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.553 6.702 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.447 5.444 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.974 4.255 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.934 5.294 8.738 1.00 0.00 H new ATOM 255 N LYS A 19 4.792 7.472 9.195 1.00 0.00 N ATOM 256 CA LYS A 19 3.981 7.641 7.995 1.00 0.00 C ATOM 257 C LYS A 19 4.798 8.268 6.870 1.00 0.00 C ATOM 258 O LYS A 19 5.696 9.073 7.116 1.00 0.00 O ATOM 259 CB LYS A 19 2.759 8.511 8.299 1.00 0.00 C ATOM 260 CG LYS A 19 1.932 8.010 9.470 1.00 0.00 C ATOM 261 CD LYS A 19 1.155 9.139 10.127 1.00 0.00 C ATOM 262 CE LYS A 19 0.184 8.612 11.172 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.793 9.654 11.597 1.00 0.00 N ATOM 0 H LYS A 19 5.461 8.224 9.360 1.00 0.00 H new ATOM 0 HA LYS A 19 3.646 6.656 7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.091 9.528 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.127 8.558 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.239 7.243 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.587 7.542 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.850 9.837 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.607 9.695 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.353 7.754 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.741 8.260 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.437 9.256 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.282 10.463 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.342 9.972 10.773 1.00 0.00 H new ATOM 277 N ARG A 20 4.478 7.895 5.635 1.00 0.00 N ATOM 278 CA ARG A 20 5.183 8.421 4.472 1.00 0.00 C ATOM 279 C ARG A 20 4.241 8.550 3.278 1.00 0.00 C ATOM 280 O ARG A 20 3.690 7.558 2.800 1.00 0.00 O ATOM 281 CB ARG A 20 6.361 7.515 4.110 1.00 0.00 C ATOM 282 CG ARG A 20 7.661 7.905 4.793 1.00 0.00 C ATOM 283 CD ARG A 20 8.260 9.160 4.176 1.00 0.00 C ATOM 284 NE ARG A 20 9.131 9.867 5.111 1.00 0.00 N ATOM 285 CZ ARG A 20 10.030 10.771 4.738 1.00 0.00 C ATOM 286 NH1 ARG A 20 10.177 11.075 3.456 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.786 11.372 5.648 1.00 0.00 N ATOM 0 H ARG A 20 3.736 7.231 5.414 1.00 0.00 H new ATOM 0 HA ARG A 20 5.560 9.412 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.114 6.488 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.507 7.537 3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.480 8.071 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.374 7.084 4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.827 8.891 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.458 9.824 3.855 1.00 0.00 H new ATOM 0 HE ARG A 20 9.044 9.655 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.599 10.614 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.868 11.770 3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.677 11.140 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.476 12.066 5.360 1.00 0.00 H new ATOM 301 N ILE A 21 4.061 9.778 2.803 1.00 0.00 N ATOM 302 CA ILE A 21 3.186 10.036 1.666 1.00 0.00 C ATOM 303 C ILE A 21 3.955 9.956 0.352 1.00 0.00 C ATOM 304 O ILE A 21 5.064 10.481 0.236 1.00 0.00 O ATOM 305 CB ILE A 21 2.516 11.418 1.773 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.481 11.422 2.899 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.869 11.797 0.449 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.867 12.782 3.151 1.00 0.00 C ATOM 0 H ILE A 21 4.509 10.609 3.188 1.00 0.00 H new ATOM 0 HA ILE A 21 2.415 9.266 1.680 1.00 0.00 H new ATOM 0 HB ILE A 21 3.281 12.159 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.689 10.714 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.953 11.070 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.400 12.776 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.629 11.831 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.114 11.056 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.143 12.709 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.650 13.489 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.366 13.128 2.247 1.00 0.00 H new ATOM 320 N LEU A 22 3.360 9.298 -0.637 1.00 0.00 N ATOM 321 CA LEU A 22 3.988 9.151 -1.945 1.00 0.00 C ATOM 322 C LEU A 22 3.086 9.697 -3.047 1.00 0.00 C ATOM 323 O LEU A 22 1.915 9.992 -2.813 1.00 0.00 O ATOM 324 CB LEU A 22 4.310 7.680 -2.216 1.00 0.00 C ATOM 325 CG LEU A 22 5.609 7.153 -1.606 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.478 7.031 -0.096 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.982 5.813 -2.221 1.00 0.00 C ATOM 0 H LEU A 22 2.443 8.858 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 22 4.915 9.725 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.485 7.074 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.352 7.531 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 22 6.406 7.864 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.412 6.654 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.259 8.010 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.669 6.341 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.909 5.453 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.186 5.093 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.119 5.931 -3.296 1.00 0.00 H new ATOM 339 N GLN A 23 3.640 9.827 -4.248 1.00 0.00 N ATOM 340 CA GLN A 23 2.884 10.336 -5.386 1.00 0.00 C ATOM 341 C GLN A 23 3.140 9.493 -6.631 1.00 0.00 C ATOM 342 O GLN A 23 4.264 9.428 -7.129 1.00 0.00 O ATOM 343 CB GLN A 23 3.253 11.795 -5.659 1.00 0.00 C ATOM 344 CG GLN A 23 2.600 12.778 -4.701 1.00 0.00 C ATOM 345 CD GLN A 23 2.539 14.186 -5.260 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.453 14.629 -5.956 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.460 14.897 -4.958 1.00 0.00 N ATOM 0 H GLN A 23 4.609 9.587 -4.458 1.00 0.00 H new ATOM 0 HA GLN A 23 1.824 10.276 -5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.336 11.905 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.965 12.049 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.590 12.439 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.155 12.788 -3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.727 14.490 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.364 15.851 -5.306 1.00 0.00 H new ATOM 356 N PHE A 24 2.090 8.848 -7.129 1.00 0.00 N ATOM 357 CA PHE A 24 2.201 8.008 -8.316 1.00 0.00 C ATOM 358 C PHE A 24 1.208 8.446 -9.388 1.00 0.00 C ATOM 359 O PHE A 24 -0.007 8.313 -9.236 1.00 0.00 O ATOM 360 CB PHE A 24 1.963 6.541 -7.952 1.00 0.00 C ATOM 361 CG PHE A 24 2.923 6.015 -6.924 1.00 0.00 C ATOM 362 CD1 PHE A 24 4.125 5.443 -7.308 1.00 0.00 C ATOM 363 CD2 PHE A 24 2.623 6.091 -5.573 1.00 0.00 C ATOM 364 CE1 PHE A 24 5.011 4.958 -6.364 1.00 0.00 C ATOM 365 CE2 PHE A 24 3.505 5.608 -4.625 1.00 0.00 C ATOM 366 CZ PHE A 24 4.700 5.040 -5.021 1.00 0.00 C ATOM 0 H PHE A 24 1.153 8.891 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 24 3.209 8.117 -8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.945 6.428 -7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.040 5.934 -8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.373 5.375 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.689 6.533 -5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.945 4.515 -6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.260 5.675 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.390 4.661 -4.282 1.00 0.00 H new ATOM 376 N PRO A 25 1.735 8.981 -10.499 1.00 0.00 N ATOM 377 CA PRO A 25 0.913 9.449 -11.619 1.00 0.00 C ATOM 378 C PRO A 25 0.247 8.301 -12.370 1.00 0.00 C ATOM 379 O PRO A 25 0.920 7.489 -13.004 1.00 0.00 O ATOM 380 CB PRO A 25 1.919 10.166 -12.522 1.00 0.00 C ATOM 381 CG PRO A 25 3.230 9.533 -12.207 1.00 0.00 C ATOM 382 CD PRO A 25 3.174 9.169 -10.749 1.00 0.00 C ATOM 0 HA PRO A 25 0.092 10.083 -11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.663 10.044 -13.575 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.938 11.237 -12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.395 8.650 -12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.053 10.219 -12.407 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.740 8.261 -10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.591 9.957 -10.122 1.00 0.00 H new ATOM 390 N ARG A 26 -1.078 8.240 -12.293 1.00 0.00 N ATOM 391 CA ARG A 26 -1.835 7.190 -12.965 1.00 0.00 C ATOM 392 C ARG A 26 -1.434 7.087 -14.434 1.00 0.00 C ATOM 393 O ARG A 26 -1.112 8.080 -15.086 1.00 0.00 O ATOM 394 CB ARG A 26 -3.336 7.462 -12.853 1.00 0.00 C ATOM 395 CG ARG A 26 -3.935 7.030 -11.524 1.00 0.00 C ATOM 396 CD ARG A 26 -5.424 7.334 -11.460 1.00 0.00 C ATOM 397 NE ARG A 26 -5.684 8.705 -11.030 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.904 9.210 -10.884 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.969 8.461 -11.132 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.060 10.467 -10.488 1.00 0.00 N ATOM 0 H ARG A 26 -1.650 8.905 -11.772 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.607 6.243 -12.476 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.515 8.528 -12.993 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.852 6.943 -13.661 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.774 5.961 -11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.423 7.541 -10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.870 7.171 -12.441 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.906 6.640 -10.771 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.886 9.308 -10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.853 7.494 -11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.905 8.851 -11.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.243 11.046 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.997 10.854 -10.376 1.00 0.00 H new ATOM 414 N PRO A 27 -1.454 5.857 -14.968 1.00 0.00 N ATOM 415 CA PRO A 27 -1.836 4.667 -14.201 1.00 0.00 C ATOM 416 C PRO A 27 -0.797 4.299 -13.147 1.00 0.00 C ATOM 417 O PRO A 27 0.407 4.370 -13.396 1.00 0.00 O ATOM 418 CB PRO A 27 -1.927 3.572 -15.267 1.00 0.00 C ATOM 419 CG PRO A 27 -1.023 4.031 -16.360 1.00 0.00 C ATOM 420 CD PRO A 27 -1.105 5.532 -16.361 1.00 0.00 C ATOM 0 HA PRO A 27 -2.762 4.819 -13.647 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.611 2.607 -14.871 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.950 3.451 -15.624 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.000 3.696 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.334 3.622 -17.321 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.158 5.986 -16.654 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.861 5.892 -17.059 1.00 0.00 H new ATOM 428 N VAL A 28 -1.270 3.905 -11.969 1.00 0.00 N ATOM 429 CA VAL A 28 -0.382 3.524 -10.877 1.00 0.00 C ATOM 430 C VAL A 28 -0.022 2.045 -10.952 1.00 0.00 C ATOM 431 O VAL A 28 -0.861 1.206 -11.281 1.00 0.00 O ATOM 432 CB VAL A 28 -1.020 3.817 -9.506 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.074 3.426 -8.382 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.408 5.284 -9.402 1.00 0.00 C ATOM 0 H VAL A 28 -2.263 3.841 -11.746 1.00 0.00 H new ATOM 0 HA VAL A 28 0.524 4.121 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.925 3.218 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.542 3.640 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.148 2.361 -8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.851 3.996 -8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.857 5.473 -8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.520 5.905 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.126 5.527 -10.186 1.00 0.00 H new ATOM 444 N LYS A 29 1.232 1.730 -10.645 1.00 0.00 N ATOM 445 CA LYS A 29 1.705 0.352 -10.676 1.00 0.00 C ATOM 446 C LYS A 29 1.974 -0.162 -9.265 1.00 0.00 C ATOM 447 O LYS A 29 2.687 0.473 -8.487 1.00 0.00 O ATOM 448 CB LYS A 29 2.977 0.246 -11.520 1.00 0.00 C ATOM 449 CG LYS A 29 2.808 0.753 -12.942 1.00 0.00 C ATOM 450 CD LYS A 29 2.082 -0.260 -13.812 1.00 0.00 C ATOM 451 CE LYS A 29 1.354 0.415 -14.964 1.00 0.00 C ATOM 452 NZ LYS A 29 2.298 1.083 -15.902 1.00 0.00 N ATOM 0 H LYS A 29 1.940 2.412 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 29 0.926 -0.263 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.773 0.810 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.297 -0.796 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.252 1.690 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.786 0.968 -13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.797 -0.982 -14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.368 -0.817 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.767 -0.326 -15.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.653 1.150 -14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.764 1.517 -16.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.829 1.819 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.962 0.380 -16.286 1.00 0.00 H new ATOM 466 N LEU A 30 1.402 -1.317 -8.942 1.00 0.00 N ATOM 467 CA LEU A 30 1.581 -1.917 -7.625 1.00 0.00 C ATOM 468 C LEU A 30 3.061 -2.003 -7.262 1.00 0.00 C ATOM 469 O LEU A 30 3.456 -1.669 -6.146 1.00 0.00 O ATOM 470 CB LEU A 30 0.954 -3.312 -7.588 1.00 0.00 C ATOM 471 CG LEU A 30 1.178 -4.116 -6.307 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.523 -3.424 -5.122 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.642 -5.531 -6.465 1.00 0.00 C ATOM 0 H LEU A 30 0.810 -1.856 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 30 1.082 -1.282 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.120 -3.210 -7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.346 -3.887 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 30 2.250 -4.175 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.693 -4.010 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.955 -2.431 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.549 -3.334 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.810 -6.089 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.427 -5.494 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.158 -6.026 -7.288 1.00 0.00 H new ATOM 485 N GLU A 31 3.873 -2.451 -8.215 1.00 0.00 N ATOM 486 CA GLU A 31 5.309 -2.579 -7.995 1.00 0.00 C ATOM 487 C GLU A 31 5.913 -1.248 -7.556 1.00 0.00 C ATOM 488 O GLU A 31 6.755 -1.203 -6.659 1.00 0.00 O ATOM 489 CB GLU A 31 6.000 -3.070 -9.269 1.00 0.00 C ATOM 490 CG GLU A 31 6.322 -1.959 -10.254 1.00 0.00 C ATOM 491 CD GLU A 31 6.859 -2.484 -11.571 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.350 -3.519 -12.050 1.00 0.00 O ATOM 493 OE2 GLU A 31 7.788 -1.859 -12.124 1.00 0.00 O ATOM 0 H GLU A 31 3.561 -2.731 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 31 5.466 -3.309 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.923 -3.582 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.361 -3.804 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.423 -1.372 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.055 -1.286 -9.810 1.00 0.00 H new ATOM 500 N ASP A 32 5.477 -0.168 -8.196 1.00 0.00 N ATOM 501 CA ASP A 32 5.974 1.164 -7.872 1.00 0.00 C ATOM 502 C ASP A 32 5.730 1.492 -6.402 1.00 0.00 C ATOM 503 O ASP A 32 6.636 1.935 -5.695 1.00 0.00 O ATOM 504 CB ASP A 32 5.301 2.212 -8.760 1.00 0.00 C ATOM 505 CG ASP A 32 6.067 2.460 -10.044 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.180 3.022 -9.972 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.554 2.092 -11.121 1.00 0.00 O ATOM 0 H ASP A 32 4.781 -0.189 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 32 7.048 1.179 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.290 1.884 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.210 3.147 -8.208 1.00 0.00 H new ATOM 512 N LEU A 33 4.501 1.274 -5.948 1.00 0.00 N ATOM 513 CA LEU A 33 4.137 1.547 -4.563 1.00 0.00 C ATOM 514 C LEU A 33 5.090 0.846 -3.600 1.00 0.00 C ATOM 515 O LEU A 33 5.606 1.459 -2.665 1.00 0.00 O ATOM 516 CB LEU A 33 2.700 1.096 -4.293 1.00 0.00 C ATOM 517 CG LEU A 33 1.600 2.071 -4.715 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.326 1.319 -5.067 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.335 3.086 -3.613 1.00 0.00 C ATOM 0 H LEU A 33 3.739 0.909 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 33 4.211 2.622 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.535 0.149 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.596 0.902 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 33 1.938 2.607 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.445 2.029 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.524 0.632 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.016 0.755 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.549 3.772 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.019 2.567 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.246 3.648 -3.409 1.00 0.00 H new ATOM 531 N ARG A 34 5.322 -0.440 -3.838 1.00 0.00 N ATOM 532 CA ARG A 34 6.215 -1.225 -2.993 1.00 0.00 C ATOM 533 C ARG A 34 7.652 -0.722 -3.107 1.00 0.00 C ATOM 534 O ARG A 34 8.285 -0.391 -2.105 1.00 0.00 O ATOM 535 CB ARG A 34 6.149 -2.703 -3.379 1.00 0.00 C ATOM 536 CG ARG A 34 4.740 -3.273 -3.370 1.00 0.00 C ATOM 537 CD ARG A 34 4.730 -4.742 -3.761 1.00 0.00 C ATOM 538 NE ARG A 34 5.146 -5.605 -2.659 1.00 0.00 N ATOM 539 CZ ARG A 34 4.872 -6.903 -2.599 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.186 -7.486 -3.573 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.285 -7.622 -1.563 1.00 0.00 N ATOM 0 H ARG A 34 4.904 -0.961 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 34 5.889 -1.112 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.576 -2.829 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.769 -3.278 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.306 -3.157 -2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.113 -2.708 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.728 -5.024 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.394 -4.895 -4.612 1.00 0.00 H new ATOM 0 HE ARG A 34 5.676 -5.188 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.867 -6.937 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.977 -8.483 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.813 -7.178 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.074 -8.619 -1.518 1.00 0.00 H new ATOM 555 N SER A 35 8.159 -0.669 -4.334 1.00 0.00 N ATOM 556 CA SER A 35 9.522 -0.211 -4.578 1.00 0.00 C ATOM 557 C SER A 35 9.840 1.022 -3.738 1.00 0.00 C ATOM 558 O SER A 35 10.776 1.018 -2.937 1.00 0.00 O ATOM 559 CB SER A 35 9.718 0.105 -6.062 1.00 0.00 C ATOM 560 OG SER A 35 11.075 -0.046 -6.441 1.00 0.00 O ATOM 0 H SER A 35 7.647 -0.937 -5.174 1.00 0.00 H new ATOM 0 HA SER A 35 10.204 -1.011 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.094 -0.556 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.392 1.125 -6.266 1.00 0.00 H new ATOM 0 HG SER A 35 11.173 0.160 -7.394 1.00 0.00 H new ATOM 566 N LYS A 36 9.054 2.077 -3.925 1.00 0.00 N ATOM 567 CA LYS A 36 9.249 3.317 -3.184 1.00 0.00 C ATOM 568 C LYS A 36 9.282 3.055 -1.682 1.00 0.00 C ATOM 569 O LYS A 36 10.301 3.272 -1.027 1.00 0.00 O ATOM 570 CB LYS A 36 8.135 4.313 -3.515 1.00 0.00 C ATOM 571 CG LYS A 36 8.082 4.703 -4.982 1.00 0.00 C ATOM 572 CD LYS A 36 9.194 5.674 -5.340 1.00 0.00 C ATOM 573 CE LYS A 36 8.890 7.078 -4.840 1.00 0.00 C ATOM 574 NZ LYS A 36 9.624 8.115 -5.618 1.00 0.00 N ATOM 0 H LYS A 36 8.276 2.098 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 36 10.208 3.741 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.176 3.881 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.273 5.212 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.165 3.809 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.116 5.156 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.133 5.328 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.328 5.693 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.818 7.264 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.160 7.155 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.390 9.058 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.648 7.953 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.347 8.059 -6.619 1.00 0.00 H new ATOM 588 N ALA A 37 8.162 2.586 -1.143 1.00 0.00 N ATOM 589 CA ALA A 37 8.064 2.290 0.281 1.00 0.00 C ATOM 590 C ALA A 37 9.295 1.534 0.770 1.00 0.00 C ATOM 591 O ALA A 37 9.747 1.727 1.899 1.00 0.00 O ATOM 592 CB ALA A 37 6.802 1.492 0.569 1.00 0.00 C ATOM 0 H ALA A 37 7.309 2.403 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 37 8.013 3.235 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.742 1.278 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.929 2.070 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.829 0.555 0.012 1.00 0.00 H new ATOM 598 N LYS A 38 9.832 0.672 -0.086 1.00 0.00 N ATOM 599 CA LYS A 38 11.011 -0.115 0.258 1.00 0.00 C ATOM 600 C LYS A 38 12.256 0.765 0.308 1.00 0.00 C ATOM 601 O LYS A 38 13.146 0.550 1.131 1.00 0.00 O ATOM 602 CB LYS A 38 11.211 -1.243 -0.757 1.00 0.00 C ATOM 603 CG LYS A 38 12.433 -2.101 -0.479 1.00 0.00 C ATOM 604 CD LYS A 38 12.763 -2.999 -1.660 1.00 0.00 C ATOM 605 CE LYS A 38 14.250 -3.314 -1.721 1.00 0.00 C ATOM 606 NZ LYS A 38 15.055 -2.122 -2.106 1.00 0.00 N ATOM 0 H LYS A 38 9.470 0.500 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 38 10.853 -0.548 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.325 -1.878 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.299 -0.812 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.286 -1.460 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.256 -2.712 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.196 -3.927 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.454 -2.513 -2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.584 -3.679 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.422 -4.116 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.976 -2.430 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.549 -1.582 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.204 -1.519 -1.272 1.00 0.00 H new ATOM 620 N ILE A 39 12.311 1.756 -0.576 1.00 0.00 N ATOM 621 CA ILE A 39 13.446 2.669 -0.630 1.00 0.00 C ATOM 622 C ILE A 39 13.376 3.699 0.492 1.00 0.00 C ATOM 623 O ILE A 39 14.395 4.064 1.077 1.00 0.00 O ATOM 624 CB ILE A 39 13.514 3.403 -1.982 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.671 2.398 -3.126 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.662 4.401 -1.986 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.081 2.874 -4.434 1.00 0.00 C ATOM 0 H ILE A 39 11.583 1.947 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 39 14.344 2.064 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 39 12.582 3.950 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.731 2.187 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.195 1.460 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.697 4.912 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.511 5.133 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.602 3.875 -1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.229 2.112 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.014 3.058 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.574 3.796 -4.741 1.00 0.00 H new ATOM 639 N ALA A 40 12.167 4.163 0.788 1.00 0.00 N ATOM 640 CA ALA A 40 11.963 5.148 1.843 1.00 0.00 C ATOM 641 C ALA A 40 12.277 4.558 3.213 1.00 0.00 C ATOM 642 O ALA A 40 12.968 5.176 4.023 1.00 0.00 O ATOM 643 CB ALA A 40 10.536 5.673 1.806 1.00 0.00 C ATOM 0 H ALA A 40 11.313 3.872 0.312 1.00 0.00 H new ATOM 0 HA ALA A 40 12.648 5.978 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.398 6.408 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.346 6.141 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.840 4.847 1.952 1.00 0.00 H new ATOM 649 N PHE A 41 11.764 3.359 3.467 1.00 0.00 N ATOM 650 CA PHE A 41 11.988 2.685 4.741 1.00 0.00 C ATOM 651 C PHE A 41 13.273 1.863 4.703 1.00 0.00 C ATOM 652 O PHE A 41 14.015 1.805 5.683 1.00 0.00 O ATOM 653 CB PHE A 41 10.801 1.782 5.081 1.00 0.00 C ATOM 654 CG PHE A 41 9.540 2.538 5.384 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.010 3.426 4.462 1.00 0.00 C ATOM 656 CD2 PHE A 41 8.883 2.361 6.592 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.849 4.124 4.738 1.00 0.00 C ATOM 658 CE2 PHE A 41 7.722 3.055 6.873 1.00 0.00 C ATOM 659 CZ PHE A 41 7.205 3.938 5.946 1.00 0.00 C ATOM 0 H PHE A 41 11.190 2.834 2.807 1.00 0.00 H new ATOM 0 HA PHE A 41 12.088 3.447 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.618 1.106 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.060 1.164 5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.510 3.575 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.283 1.673 7.322 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.446 4.813 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.219 2.907 7.817 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.298 4.483 6.165 1.00 0.00 H new ATOM 669 N GLY A 42 13.529 1.228 3.563 1.00 0.00 N ATOM 670 CA GLY A 42 14.724 0.417 3.418 1.00 0.00 C ATOM 671 C GLY A 42 14.528 -0.999 3.920 1.00 0.00 C ATOM 672 O GLY A 42 15.409 -1.561 4.570 1.00 0.00 O ATOM 0 H GLY A 42 12.930 1.261 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.016 0.390 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.544 0.883 3.965 1.00 0.00 H new ATOM 676 N GLN A 43 13.369 -1.576 3.621 1.00 0.00 N ATOM 677 CA GLN A 43 13.059 -2.936 4.049 1.00 0.00 C ATOM 678 C GLN A 43 11.820 -3.463 3.334 1.00 0.00 C ATOM 679 O GLN A 43 10.884 -2.713 3.058 1.00 0.00 O ATOM 680 CB GLN A 43 12.846 -2.980 5.563 1.00 0.00 C ATOM 681 CG GLN A 43 14.120 -3.244 6.350 1.00 0.00 C ATOM 682 CD GLN A 43 13.851 -3.874 7.702 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.081 -5.067 7.901 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.362 -3.073 8.641 1.00 0.00 N ATOM 0 H GLN A 43 12.629 -1.124 3.084 1.00 0.00 H new ATOM 0 HA GLN A 43 13.904 -3.573 3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.418 -2.032 5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.117 -3.756 5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.771 -3.899 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.656 -2.306 6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.187 -2.090 8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.162 -3.440 9.571 1.00 0.00 H new ATOM 693 N SER A 44 11.821 -4.759 3.036 1.00 0.00 N ATOM 694 CA SER A 44 10.698 -5.386 2.349 1.00 0.00 C ATOM 695 C SER A 44 9.472 -5.447 3.255 1.00 0.00 C ATOM 696 O SER A 44 9.478 -6.126 4.281 1.00 0.00 O ATOM 697 CB SER A 44 11.077 -6.795 1.889 1.00 0.00 C ATOM 698 OG SER A 44 11.146 -7.688 2.987 1.00 0.00 O ATOM 0 H SER A 44 12.587 -5.395 3.260 1.00 0.00 H new ATOM 0 HA SER A 44 10.453 -4.780 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.343 -7.156 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.039 -6.768 1.377 1.00 0.00 H new ATOM 0 HG SER A 44 10.642 -7.318 3.742 1.00 0.00 H new ATOM 704 N MET A 45 8.422 -4.731 2.867 1.00 0.00 N ATOM 705 CA MET A 45 7.187 -4.704 3.643 1.00 0.00 C ATOM 706 C MET A 45 5.968 -4.774 2.729 1.00 0.00 C ATOM 707 O MET A 45 5.981 -4.240 1.620 1.00 0.00 O ATOM 708 CB MET A 45 7.125 -3.437 4.499 1.00 0.00 C ATOM 709 CG MET A 45 7.428 -2.165 3.724 1.00 0.00 C ATOM 710 SD MET A 45 7.908 -0.796 4.795 1.00 0.00 S ATOM 711 CE MET A 45 9.192 -1.569 5.776 1.00 0.00 C ATOM 0 H MET A 45 8.401 -4.162 2.021 1.00 0.00 H new ATOM 0 HA MET A 45 7.179 -5.576 4.296 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.132 -3.355 4.941 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.834 -3.529 5.322 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.229 -2.361 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.549 -1.878 3.146 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.986 -0.847 5.970 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.772 -1.910 6.722 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.601 -2.421 5.233 1.00 0.00 H new ATOM 721 N ASP A 46 4.918 -5.436 3.201 1.00 0.00 N ATOM 722 CA ASP A 46 3.691 -5.575 2.425 1.00 0.00 C ATOM 723 C ASP A 46 2.881 -4.283 2.452 1.00 0.00 C ATOM 724 O ASP A 46 3.111 -3.411 3.292 1.00 0.00 O ATOM 725 CB ASP A 46 2.848 -6.731 2.968 1.00 0.00 C ATOM 726 CG ASP A 46 3.370 -8.084 2.528 1.00 0.00 C ATOM 727 OD1 ASP A 46 3.018 -8.522 1.413 1.00 0.00 O ATOM 728 OD2 ASP A 46 4.130 -8.707 3.300 1.00 0.00 O ATOM 0 H ASP A 46 4.891 -5.885 4.117 1.00 0.00 H new ATOM 0 HA ASP A 46 3.966 -5.789 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.834 -6.687 4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.818 -6.615 2.631 1.00 0.00 H new ATOM 733 N LEU A 47 1.934 -4.164 1.528 1.00 0.00 N ATOM 734 CA LEU A 47 1.091 -2.977 1.444 1.00 0.00 C ATOM 735 C LEU A 47 -0.375 -3.334 1.667 1.00 0.00 C ATOM 736 O LEU A 47 -1.030 -3.893 0.787 1.00 0.00 O ATOM 737 CB LEU A 47 1.262 -2.301 0.083 1.00 0.00 C ATOM 738 CG LEU A 47 2.379 -1.262 -0.015 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.738 -1.922 0.160 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.309 -0.527 -1.346 1.00 0.00 C ATOM 0 H LEU A 47 1.731 -4.876 0.826 1.00 0.00 H new ATOM 0 HA LEU A 47 1.401 -2.285 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.446 -3.074 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.321 -1.819 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 47 2.244 -0.535 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.521 -1.167 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.786 -2.402 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.882 -2.671 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.112 0.209 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.418 -1.241 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.347 -0.021 -1.432 1.00 0.00 H new ATOM 752 N HIS A 48 -0.886 -3.005 2.850 1.00 0.00 N ATOM 753 CA HIS A 48 -2.276 -3.289 3.188 1.00 0.00 C ATOM 754 C HIS A 48 -3.087 -1.999 3.279 1.00 0.00 C ATOM 755 O HIS A 48 -2.896 -1.198 4.194 1.00 0.00 O ATOM 756 CB HIS A 48 -2.356 -4.050 4.511 1.00 0.00 C ATOM 757 CG HIS A 48 -1.841 -5.454 4.427 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.719 -5.802 3.705 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.301 -6.600 4.981 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.512 -7.102 3.817 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.458 -7.610 4.587 1.00 0.00 N ATOM 0 H HIS A 48 -0.358 -2.542 3.590 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.698 -3.908 2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.788 -3.508 5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.393 -4.072 4.846 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.169 -6.701 5.615 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.294 -7.655 3.357 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.548 -8.592 4.847 1.00 0.00 H new ATOM 770 N TYR A 49 -3.990 -1.806 2.325 1.00 0.00 N ATOM 771 CA TYR A 49 -4.827 -0.612 2.296 1.00 0.00 C ATOM 772 C TYR A 49 -6.245 -0.930 2.761 1.00 0.00 C ATOM 773 O TYR A 49 -6.854 -1.905 2.319 1.00 0.00 O ATOM 774 CB TYR A 49 -4.862 -0.022 0.885 1.00 0.00 C ATOM 775 CG TYR A 49 -6.038 -0.494 0.060 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.998 -1.710 -0.612 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.190 0.275 -0.048 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.070 -2.145 -1.367 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.267 -0.152 -0.799 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.202 -1.363 -1.457 1.00 0.00 C ATOM 781 OH TYR A 49 -9.273 -1.792 -2.208 1.00 0.00 O ATOM 0 H TYR A 49 -4.162 -2.460 1.562 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.395 0.120 2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.892 1.065 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.938 -0.283 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.113 -2.326 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.244 1.224 0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.022 -3.092 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.155 0.458 -0.871 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.103 -1.439 -1.825 1.00 0.00 H new ATOM 791 N THR A 50 -6.766 -0.098 3.658 1.00 0.00 N ATOM 792 CA THR A 50 -8.112 -0.288 4.185 1.00 0.00 C ATOM 793 C THR A 50 -9.113 0.615 3.476 1.00 0.00 C ATOM 794 O THR A 50 -8.970 1.837 3.476 1.00 0.00 O ATOM 795 CB THR A 50 -8.167 -0.008 5.699 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.951 1.386 5.947 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.121 -0.828 6.440 1.00 0.00 C ATOM 0 H THR A 50 -6.276 0.714 4.034 1.00 0.00 H new ATOM 0 HA THR A 50 -8.377 -1.330 4.006 1.00 0.00 H new ATOM 0 HB THR A 50 -9.154 -0.293 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.327 1.911 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.179 -0.613 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.305 -1.889 6.273 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.128 -0.570 6.072 1.00 0.00 H new ATOM 805 N ASN A 51 -10.129 0.006 2.873 1.00 0.00 N ATOM 806 CA ASN A 51 -11.156 0.757 2.159 1.00 0.00 C ATOM 807 C ASN A 51 -12.031 1.542 3.132 1.00 0.00 C ATOM 808 O ASN A 51 -12.152 2.761 3.028 1.00 0.00 O ATOM 809 CB ASN A 51 -12.022 -0.189 1.326 1.00 0.00 C ATOM 810 CG ASN A 51 -13.335 0.445 0.909 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.527 1.653 1.052 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.247 -0.368 0.390 1.00 0.00 N ATOM 0 H ASN A 51 -10.263 -1.005 2.864 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.659 1.463 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.470 -0.494 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.224 -1.093 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.149 0.002 0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.045 -1.363 0.290 1.00 0.00 H new ATOM 819 N ASN A 52 -12.638 0.832 4.078 1.00 0.00 N ATOM 820 CA ASN A 52 -13.502 1.461 5.070 1.00 0.00 C ATOM 821 C ASN A 52 -13.177 0.958 6.472 1.00 0.00 C ATOM 822 O ASN A 52 -12.750 1.725 7.334 1.00 0.00 O ATOM 823 CB ASN A 52 -14.972 1.186 4.745 1.00 0.00 C ATOM 824 CG ASN A 52 -15.898 2.242 5.316 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.151 2.276 6.520 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.410 3.111 4.451 1.00 0.00 N ATOM 0 H ASN A 52 -12.547 -0.179 4.178 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.325 2.536 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.100 1.141 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.252 0.209 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.040 3.844 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.173 3.045 3.461 1.00 0.00 H new ATOM 833 N GLU A 53 -13.382 -0.337 6.693 1.00 0.00 N ATOM 834 CA GLU A 53 -13.111 -0.943 7.991 1.00 0.00 C ATOM 835 C GLU A 53 -12.246 -2.192 7.839 1.00 0.00 C ATOM 836 O GLU A 53 -11.466 -2.532 8.729 1.00 0.00 O ATOM 837 CB GLU A 53 -14.421 -1.299 8.696 1.00 0.00 C ATOM 838 CG GLU A 53 -15.178 -0.090 9.220 1.00 0.00 C ATOM 839 CD GLU A 53 -16.078 -0.429 10.393 1.00 0.00 C ATOM 840 OE1 GLU A 53 -15.550 -0.648 11.503 1.00 0.00 O ATOM 841 OE2 GLU A 53 -17.311 -0.475 10.199 1.00 0.00 O ATOM 0 H GLU A 53 -13.735 -0.986 5.990 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.567 -0.217 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.060 -1.845 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.206 -1.971 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.465 0.677 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.779 0.334 8.416 1.00 0.00 H new ATOM 848 N LEU A 54 -12.392 -2.870 6.706 1.00 0.00 N ATOM 849 CA LEU A 54 -11.626 -4.082 6.436 1.00 0.00 C ATOM 850 C LEU A 54 -10.232 -3.741 5.920 1.00 0.00 C ATOM 851 O LEU A 54 -9.874 -2.570 5.794 1.00 0.00 O ATOM 852 CB LEU A 54 -12.360 -4.956 5.418 1.00 0.00 C ATOM 853 CG LEU A 54 -13.478 -5.839 5.973 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.806 -5.099 5.946 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.572 -7.138 5.185 1.00 0.00 C ATOM 0 H LEU A 54 -13.033 -2.601 5.960 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.522 -4.633 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.783 -4.308 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.629 -5.597 4.925 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.243 -6.082 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.590 -5.743 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.733 -4.198 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.049 -4.825 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.373 -7.754 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.783 -6.915 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.627 -7.676 5.257 1.00 0.00 H new ATOM 867 N VAL A 55 -9.448 -4.772 5.622 1.00 0.00 N ATOM 868 CA VAL A 55 -8.094 -4.582 5.116 1.00 0.00 C ATOM 869 C VAL A 55 -7.852 -5.420 3.865 1.00 0.00 C ATOM 870 O VAL A 55 -8.153 -6.614 3.838 1.00 0.00 O ATOM 871 CB VAL A 55 -7.041 -4.950 6.178 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.639 -4.662 5.663 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.307 -4.198 7.474 1.00 0.00 C ATOM 0 H VAL A 55 -9.727 -5.748 5.722 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.995 -3.525 4.867 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.114 -6.018 6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.909 -4.928 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.454 -5.250 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.548 -3.601 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.554 -4.470 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.262 -3.125 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.296 -4.460 7.850 1.00 0.00 H new ATOM 883 N ILE A 56 -7.307 -4.787 2.832 1.00 0.00 N ATOM 884 CA ILE A 56 -7.023 -5.474 1.579 1.00 0.00 C ATOM 885 C ILE A 56 -5.531 -5.446 1.262 1.00 0.00 C ATOM 886 O ILE A 56 -4.974 -4.420 0.870 1.00 0.00 O ATOM 887 CB ILE A 56 -7.797 -4.848 0.405 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.260 -4.621 0.793 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.702 -5.736 -0.827 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.507 -3.290 1.468 1.00 0.00 C ATOM 0 H ILE A 56 -7.053 -3.799 2.838 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.346 -6.507 1.706 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.349 -3.883 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.879 -4.686 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.579 -5.422 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.254 -5.279 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.656 -5.851 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.127 -6.715 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.565 -3.198 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.915 -3.230 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.220 -2.482 0.795 1.00 0.00 H new ATOM 902 N PRO A 57 -4.868 -6.599 1.433 1.00 0.00 N ATOM 903 CA PRO A 57 -3.432 -6.733 1.168 1.00 0.00 C ATOM 904 C PRO A 57 -3.107 -6.653 -0.319 1.00 0.00 C ATOM 905 O PRO A 57 -3.284 -7.623 -1.057 1.00 0.00 O ATOM 906 CB PRO A 57 -3.100 -8.124 1.714 1.00 0.00 C ATOM 907 CG PRO A 57 -4.385 -8.874 1.649 1.00 0.00 C ATOM 908 CD PRO A 57 -5.468 -7.861 1.897 1.00 0.00 C ATOM 0 HA PRO A 57 -2.856 -5.930 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.328 -8.609 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.725 -8.069 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.511 -9.350 0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.413 -9.666 2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.377 -8.101 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.739 -7.813 2.952 1.00 0.00 H new ATOM 916 N LEU A 58 -2.630 -5.492 -0.754 1.00 0.00 N ATOM 917 CA LEU A 58 -2.279 -5.285 -2.155 1.00 0.00 C ATOM 918 C LEU A 58 -1.161 -6.231 -2.581 1.00 0.00 C ATOM 919 O LEU A 58 0.016 -5.970 -2.334 1.00 0.00 O ATOM 920 CB LEU A 58 -1.851 -3.835 -2.385 1.00 0.00 C ATOM 921 CG LEU A 58 -2.978 -2.803 -2.440 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.492 -1.454 -1.934 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.520 -2.680 -3.857 1.00 0.00 C ATOM 0 H LEU A 58 -2.477 -4.679 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.160 -5.497 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.163 -3.550 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.294 -3.786 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.786 -3.141 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.308 -0.733 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.153 -1.553 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.666 -1.108 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.321 -1.941 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.720 -2.366 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.908 -3.645 -4.183 1.00 0.00 H new ATOM 935 N THR A 59 -1.538 -7.331 -3.227 1.00 0.00 N ATOM 936 CA THR A 59 -0.568 -8.315 -3.689 1.00 0.00 C ATOM 937 C THR A 59 -0.486 -8.334 -5.211 1.00 0.00 C ATOM 938 O THR A 59 0.601 -8.419 -5.784 1.00 0.00 O ATOM 939 CB THR A 59 -0.919 -9.729 -3.188 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.189 -10.133 -3.713 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.957 -9.770 -1.668 1.00 0.00 C ATOM 0 H THR A 59 -2.508 -7.562 -3.442 1.00 0.00 H new ATOM 0 HA THR A 59 0.398 -8.022 -3.279 1.00 0.00 H new ATOM 0 HB THR A 59 -0.147 -10.416 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.404 -11.033 -3.392 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.207 -10.778 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.019 -9.490 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.711 -9.072 -1.304 1.00 0.00 H new ATOM 949 N THR A 60 -1.642 -8.254 -5.862 1.00 0.00 N ATOM 950 CA THR A 60 -1.701 -8.262 -7.318 1.00 0.00 C ATOM 951 C THR A 60 -2.195 -6.923 -7.856 1.00 0.00 C ATOM 952 O THR A 60 -2.833 -6.154 -7.138 1.00 0.00 O ATOM 953 CB THR A 60 -2.623 -9.382 -7.837 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.957 -9.178 -7.359 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.121 -10.746 -7.390 1.00 0.00 C ATOM 0 H THR A 60 -2.550 -8.183 -5.404 1.00 0.00 H new ATOM 0 HA THR A 60 -0.687 -8.442 -7.674 1.00 0.00 H new ATOM 0 HB THR A 60 -2.619 -9.351 -8.927 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.970 -8.420 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.788 -11.521 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.116 -10.910 -7.780 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.099 -10.786 -6.301 1.00 0.00 H new ATOM 963 N GLN A 61 -1.896 -6.653 -9.123 1.00 0.00 N ATOM 964 CA GLN A 61 -2.310 -5.406 -9.755 1.00 0.00 C ATOM 965 C GLN A 61 -3.822 -5.228 -9.669 1.00 0.00 C ATOM 966 O GLN A 61 -4.311 -4.160 -9.302 1.00 0.00 O ATOM 967 CB GLN A 61 -1.864 -5.380 -11.218 1.00 0.00 C ATOM 968 CG GLN A 61 -2.229 -4.094 -11.942 1.00 0.00 C ATOM 969 CD GLN A 61 -1.169 -3.020 -11.797 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.591 -1.816 -11.430 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 0.018 -3.270 -12.011 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.369 -7.280 -9.731 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.835 -4.582 -9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.784 -5.518 -11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.315 -6.223 -11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.381 -4.308 -13.000 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.176 -3.719 -11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.299 -4.210 -12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.720 -2.537 -11.908 1.00 0.00 H new ATOM 980 N ASP A 62 -4.557 -6.281 -10.010 1.00 0.00 N ATOM 981 CA ASP A 62 -6.014 -6.241 -9.971 1.00 0.00 C ATOM 982 C ASP A 62 -6.504 -5.483 -8.741 1.00 0.00 C ATOM 983 O ASP A 62 -7.436 -4.684 -8.824 1.00 0.00 O ATOM 984 CB ASP A 62 -6.584 -7.661 -9.972 1.00 0.00 C ATOM 985 CG ASP A 62 -6.792 -8.201 -11.373 1.00 0.00 C ATOM 986 OD1 ASP A 62 -6.965 -7.386 -12.303 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.782 -9.439 -11.540 1.00 0.00 O ATOM 0 H ASP A 62 -4.168 -7.173 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.363 -5.717 -10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.908 -8.321 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.534 -7.668 -9.438 1.00 0.00 H new ATOM 992 N ASP A 63 -5.871 -5.741 -7.603 1.00 0.00 N ATOM 993 CA ASP A 63 -6.242 -5.084 -6.355 1.00 0.00 C ATOM 994 C ASP A 63 -5.971 -3.584 -6.430 1.00 0.00 C ATOM 995 O ASP A 63 -6.849 -2.769 -6.145 1.00 0.00 O ATOM 996 CB ASP A 63 -5.474 -5.695 -5.183 1.00 0.00 C ATOM 997 CG ASP A 63 -5.747 -7.178 -5.022 1.00 0.00 C ATOM 998 OD1 ASP A 63 -5.626 -7.915 -6.023 1.00 0.00 O ATOM 999 OD2 ASP A 63 -6.082 -7.601 -3.896 1.00 0.00 O ATOM 0 H ASP A 63 -5.098 -6.401 -7.518 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.310 -5.236 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.406 -5.539 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.747 -5.176 -4.264 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.750 -3.227 -6.814 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.363 -1.825 -6.925 1.00 0.00 C ATOM 1006 C LEU A 64 -5.334 -1.061 -7.819 1.00 0.00 C ATOM 1007 O LEU A 64 -5.913 -0.056 -7.406 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.942 -1.711 -7.482 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.498 -0.311 -7.906 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.573 0.652 -6.731 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.089 -0.349 -8.478 1.00 0.00 C ATOM 0 H LEU A 64 -4.012 -3.889 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.393 -1.385 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.247 -2.078 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.856 -2.374 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.175 0.044 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.253 1.643 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.599 0.702 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.921 0.302 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.789 0.656 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.399 -0.725 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.067 -1.006 -9.348 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.510 -1.546 -9.043 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.414 -0.910 -9.994 1.00 0.00 C ATOM 1025 C ASP A 65 -7.792 -0.696 -9.375 1.00 0.00 C ATOM 1026 O ASP A 65 -8.418 0.346 -9.571 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.537 -1.760 -11.260 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.808 -0.924 -12.495 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.929 -0.384 -12.612 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -5.900 -0.808 -13.344 1.00 0.00 O ATOM 0 H ASP A 65 -5.039 -2.377 -9.400 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.999 0.063 -10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.618 -2.328 -11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.342 -2.484 -11.131 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.259 -1.689 -8.626 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.562 -1.611 -7.977 1.00 0.00 C ATOM 1037 C LYS A 66 -9.499 -0.729 -6.734 1.00 0.00 C ATOM 1038 O LYS A 66 -10.523 -0.252 -6.247 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.051 -3.011 -7.597 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.843 -3.697 -8.697 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.488 -4.981 -8.201 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.109 -5.770 -9.344 1.00 0.00 C ATOM 1043 NZ LYS A 66 -12.224 -7.218 -9.019 1.00 0.00 N ATOM 0 H LYS A 66 -7.754 -2.558 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.264 -1.166 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.191 -3.630 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.672 -2.940 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.614 -3.021 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.184 -3.920 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.740 -5.594 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.254 -4.743 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.097 -5.368 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.504 -5.646 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.652 -7.721 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.278 -7.608 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.823 -7.338 -8.177 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.289 -0.516 -6.226 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.093 0.312 -5.043 1.00 0.00 C ATOM 1059 C ALA A 67 -7.915 1.778 -5.421 1.00 0.00 C ATOM 1060 O ALA A 67 -8.243 2.675 -4.644 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.891 -0.179 -4.249 1.00 0.00 C ATOM 0 H ALA A 67 -7.431 -0.905 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.985 0.230 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.756 0.448 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.057 -1.210 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.998 -0.127 -4.872 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.394 2.016 -6.621 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.174 3.375 -7.103 1.00 0.00 C ATOM 1069 C VAL A 68 -8.457 3.972 -7.668 1.00 0.00 C ATOM 1070 O VAL A 68 -8.680 5.179 -7.584 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.081 3.415 -8.187 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.905 4.830 -8.716 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.768 2.875 -7.640 1.00 0.00 C ATOM 0 H VAL A 68 -7.117 1.286 -7.277 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.848 3.966 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.392 2.779 -9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.129 4.839 -9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.844 5.176 -9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.616 5.491 -7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.007 2.911 -8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.449 3.483 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.906 1.844 -7.315 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.298 3.118 -8.243 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.560 3.563 -8.823 1.00 0.00 C ATOM 1085 C GLU A 69 -11.558 3.936 -7.731 1.00 0.00 C ATOM 1086 O GLU A 69 -12.301 4.911 -7.860 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.150 2.470 -9.717 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.673 1.270 -8.945 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.471 0.319 -9.817 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.693 0.532 -9.963 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -11.873 -0.638 -10.352 1.00 0.00 O ATOM 0 H GLU A 69 -9.129 2.115 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.361 4.448 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.962 2.894 -10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.387 2.135 -10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.834 0.734 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.300 1.616 -8.123 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.572 3.155 -6.657 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.479 3.401 -5.542 1.00 0.00 C ATOM 1100 C LEU A 70 -12.096 4.679 -4.801 1.00 0.00 C ATOM 1101 O LEU A 70 -12.961 5.418 -4.329 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.467 2.215 -4.577 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.428 2.272 -3.456 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -11.939 3.114 -2.297 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.076 0.869 -2.984 1.00 0.00 C ATOM 0 H LEU A 70 -10.965 2.345 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.485 3.523 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.455 2.130 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.301 1.305 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.524 2.740 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.187 3.143 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.140 4.127 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.857 2.676 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.336 0.929 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.973 0.375 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.667 0.297 -3.817 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.796 4.932 -4.704 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.297 6.122 -4.022 1.00 0.00 C ATOM 1119 C LEU A 71 -10.807 7.391 -4.698 1.00 0.00 C ATOM 1120 O LEU A 71 -11.347 8.282 -4.042 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.768 6.120 -4.003 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.095 7.491 -3.934 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.395 8.167 -2.605 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.594 7.360 -4.141 1.00 0.00 C ATOM 0 H LEU A 71 -10.068 4.330 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.667 6.105 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.436 5.531 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.414 5.609 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.498 8.113 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.908 9.142 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.472 8.296 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.021 7.548 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.132 8.346 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.174 6.721 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.399 6.919 -5.119 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.633 7.465 -6.013 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.078 8.623 -6.780 1.00 0.00 C ATOM 1138 C ASP A 72 -12.575 8.855 -6.594 1.00 0.00 C ATOM 1139 O ASP A 72 -12.993 9.897 -6.089 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.760 8.433 -8.263 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.551 9.750 -8.984 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.554 10.447 -9.247 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.386 10.084 -9.286 1.00 0.00 O ATOM 0 H ASP A 72 -10.187 6.737 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.544 9.499 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.864 7.821 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.574 7.887 -8.739 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.376 7.878 -7.006 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.825 7.977 -6.887 1.00 0.00 C ATOM 1150 C ARG A 73 -15.230 8.343 -5.462 1.00 0.00 C ATOM 1151 O ARG A 73 -16.169 9.110 -5.250 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.483 6.656 -7.292 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.214 5.519 -6.321 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.819 4.213 -6.811 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.277 4.271 -6.864 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.052 3.201 -7.004 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.509 1.995 -7.105 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.371 3.335 -7.044 1.00 0.00 N ATOM 0 H ARG A 73 -13.046 7.009 -7.425 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.166 8.766 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.560 6.806 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.125 6.370 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.139 5.397 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.627 5.768 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.429 3.982 -7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.512 3.401 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.726 5.184 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.495 1.888 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.105 1.175 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.792 4.261 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.964 2.512 -7.152 1.00 0.00 H new ATOM 1172 N SER A 74 -14.515 7.788 -4.488 1.00 0.00 N ATOM 1173 CA SER A 74 -14.802 8.053 -3.083 1.00 0.00 C ATOM 1174 C SER A 74 -14.496 9.505 -2.730 1.00 0.00 C ATOM 1175 O SER A 74 -13.379 9.835 -2.331 1.00 0.00 O ATOM 1176 CB SER A 74 -13.988 7.116 -2.189 1.00 0.00 C ATOM 1177 OG SER A 74 -14.633 5.862 -2.042 1.00 0.00 O ATOM 0 H SER A 74 -13.733 7.152 -4.646 1.00 0.00 H new ATOM 0 HA SER A 74 -15.864 7.873 -2.914 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.996 6.970 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.848 7.573 -1.210 1.00 0.00 H new ATOM 0 HG SER A 74 -14.323 5.251 -2.742 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.496 10.367 -2.879 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.334 11.784 -2.575 1.00 0.00 C ATOM 1185 C ILE A 75 -14.795 11.985 -1.163 1.00 0.00 C ATOM 1186 O ILE A 75 -13.870 12.768 -0.946 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.665 12.545 -2.718 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.207 12.407 -4.142 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.478 14.011 -2.357 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -18.657 12.816 -4.280 1.00 0.00 C ATOM 0 H ILE A 75 -16.426 10.110 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.618 12.182 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.390 12.111 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -16.601 13.016 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.098 11.372 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.427 14.536 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.132 14.091 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.740 14.458 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -18.973 12.692 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.274 12.191 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.770 13.860 -3.989 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.379 11.272 -0.206 1.00 0.00 N ATOM 1203 CA HIS A 76 -14.956 11.370 1.187 1.00 0.00 C ATOM 1204 C HIS A 76 -13.509 10.913 1.348 1.00 0.00 C ATOM 1205 O HIS A 76 -12.706 11.582 1.998 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.871 10.532 2.080 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.111 9.147 1.561 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -16.914 8.701 0.567 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.486 8.031 2.077 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.761 7.339 0.501 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.894 6.959 1.422 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.146 10.620 -0.369 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.024 12.415 1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.433 10.467 3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.828 11.042 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.774 8.033 2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.268 6.684 -0.192 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.591 6.001 1.598 1.00 0.00 H new ATOM 1220 N MET A 77 -13.185 9.769 0.754 1.00 0.00 N ATOM 1221 CA MET A 77 -11.835 9.223 0.833 1.00 0.00 C ATOM 1222 C MET A 77 -10.808 10.244 0.356 1.00 0.00 C ATOM 1223 O MET A 77 -10.714 10.537 -0.836 1.00 0.00 O ATOM 1224 CB MET A 77 -11.729 7.947 -0.004 1.00 0.00 C ATOM 1225 CG MET A 77 -10.361 7.288 0.063 1.00 0.00 C ATOM 1226 SD MET A 77 -10.234 6.086 1.402 1.00 0.00 S ATOM 1227 CE MET A 77 -9.622 4.655 0.515 1.00 0.00 C ATOM 0 H MET A 77 -13.838 9.202 0.213 1.00 0.00 H new ATOM 0 HA MET A 77 -11.626 8.984 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.483 7.236 0.335 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.959 8.184 -1.043 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.154 6.793 -0.886 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.598 8.055 0.195 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.127 3.759 0.877 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.818 4.776 -0.550 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.549 4.558 0.678 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.038 10.784 1.295 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.016 11.773 0.972 1.00 0.00 C ATOM 1239 C LYS A 78 -7.890 11.145 0.157 1.00 0.00 C ATOM 1240 O LYS A 78 -7.505 11.665 -0.891 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.449 12.388 2.254 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.368 13.415 2.893 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.116 14.809 2.341 1.00 0.00 C ATOM 1244 CE LYS A 78 -8.023 15.527 3.118 1.00 0.00 C ATOM 1245 NZ LYS A 78 -7.874 16.943 2.684 1.00 0.00 N ATOM 0 H LYS A 78 -10.102 10.553 2.286 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.481 12.557 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.252 11.592 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.492 12.859 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.407 13.135 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.218 13.417 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.832 14.740 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.037 15.391 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.254 15.496 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.077 15.004 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.120 17.398 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.629 16.972 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.769 17.449 2.838 1.00 0.00 H new ATOM 1259 N SER A 79 -7.367 10.024 0.643 1.00 0.00 N ATOM 1260 CA SER A 79 -6.284 9.326 -0.040 1.00 0.00 C ATOM 1261 C SER A 79 -6.363 7.823 0.209 1.00 0.00 C ATOM 1262 O SER A 79 -7.224 7.350 0.953 1.00 0.00 O ATOM 1263 CB SER A 79 -4.930 9.862 0.427 1.00 0.00 C ATOM 1264 OG SER A 79 -4.748 9.646 1.816 1.00 0.00 O ATOM 0 H SER A 79 -7.676 9.579 1.508 1.00 0.00 H new ATOM 0 HA SER A 79 -6.388 9.504 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.130 9.372 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.863 10.928 0.210 1.00 0.00 H new ATOM 0 HG SER A 79 -3.963 10.145 2.125 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.460 7.078 -0.417 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.425 5.627 -0.264 1.00 0.00 C ATOM 1272 C LEU A 80 -4.606 5.228 0.959 1.00 0.00 C ATOM 1273 O LEU A 80 -3.381 5.123 0.892 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.841 4.976 -1.518 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.933 3.452 -1.589 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.367 3.015 -1.846 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.007 2.910 -2.668 1.00 0.00 C ATOM 0 H LEU A 80 -4.742 7.454 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.448 5.277 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.349 5.391 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.792 5.260 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.617 3.044 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.413 1.927 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.006 3.370 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.711 3.434 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.086 1.823 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.291 3.326 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.979 3.191 -2.440 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.291 5.005 2.076 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.628 4.613 3.315 1.00 0.00 C ATOM 1291 C LYS A 81 -3.894 3.288 3.143 1.00 0.00 C ATOM 1292 O LYS A 81 -4.484 2.290 2.727 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.649 4.500 4.449 1.00 0.00 C ATOM 1294 CG LYS A 81 -5.018 4.328 5.820 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.998 4.666 6.931 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.367 4.489 8.304 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.092 5.260 9.351 1.00 0.00 N ATOM 0 H LYS A 81 -6.305 5.089 2.149 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.898 5.382 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.273 5.393 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.306 3.653 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.674 3.300 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.140 4.969 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.339 5.695 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.878 4.027 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.364 3.432 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.327 4.812 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.631 5.113 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.074 6.272 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.078 4.934 9.402 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.605 3.284 3.467 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.792 2.080 3.351 1.00 0.00 C ATOM 1313 C ILE A 82 -1.190 1.692 4.697 1.00 0.00 C ATOM 1314 O ILE A 82 -0.953 2.545 5.554 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.657 2.264 2.327 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.230 2.640 0.959 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.178 0.996 2.228 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.093 1.558 0.349 1.00 0.00 C ATOM 0 H ILE A 82 -2.102 4.101 3.812 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.453 1.284 3.009 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.012 3.075 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.820 3.551 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.408 2.865 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.976 1.142 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.612 0.769 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.455 0.167 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.465 1.892 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.502 0.652 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.935 1.349 1.009 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.941 0.399 4.877 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.364 -0.103 6.119 1.00 0.00 C ATOM 1332 C LEU A 83 0.815 -1.029 5.836 1.00 0.00 C ATOM 1333 O LEU A 83 0.633 -2.182 5.442 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.425 -0.845 6.934 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.460 0.030 7.642 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.800 0.865 8.729 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.176 0.925 6.641 1.00 0.00 C ATOM 0 H LEU A 83 -1.130 -0.320 4.179 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.003 0.750 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.951 -1.530 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.919 -1.453 7.684 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.198 -0.621 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.552 1.481 9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.334 0.206 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.040 1.507 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.909 1.541 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.450 1.568 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.683 0.308 5.899 1.00 0.00 H new ATOM 1349 N LEU A 84 2.024 -0.518 6.040 1.00 0.00 N ATOM 1350 CA LEU A 84 3.234 -1.299 5.810 1.00 0.00 C ATOM 1351 C LEU A 84 3.442 -2.322 6.922 1.00 0.00 C ATOM 1352 O LEU A 84 3.485 -1.972 8.101 1.00 0.00 O ATOM 1353 CB LEU A 84 4.451 -0.377 5.715 1.00 0.00 C ATOM 1354 CG LEU A 84 4.400 0.691 4.621 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.466 1.749 4.859 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.573 0.056 3.249 1.00 0.00 C ATOM 0 H LEU A 84 2.192 0.434 6.364 1.00 0.00 H new ATOM 0 HA LEU A 84 3.117 -1.833 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.580 0.121 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.336 -0.992 5.553 1.00 0.00 H new ATOM 0 HG LEU A 84 3.424 1.174 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.415 2.501 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.298 2.224 5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.451 1.282 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.534 0.830 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.536 -0.453 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.773 -0.664 3.078 1.00 0.00 H new ATOM 1368 N VAL A 85 3.574 -3.588 6.538 1.00 0.00 N ATOM 1369 CA VAL A 85 3.782 -4.662 7.502 1.00 0.00 C ATOM 1370 C VAL A 85 5.074 -5.417 7.214 1.00 0.00 C ATOM 1371 O VAL A 85 5.246 -5.984 6.134 1.00 0.00 O ATOM 1372 CB VAL A 85 2.606 -5.657 7.495 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.849 -6.777 8.495 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.299 -4.939 7.793 1.00 0.00 C ATOM 0 H VAL A 85 3.541 -3.895 5.566 1.00 0.00 H new ATOM 0 HA VAL A 85 3.849 -4.196 8.485 1.00 0.00 H new ATOM 0 HB VAL A 85 2.532 -6.099 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.008 -7.470 8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.763 -7.308 8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.950 -6.356 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.479 -5.657 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.358 -4.468 8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.122 -4.176 7.035 1.00 0.00 H new ATOM 1384 N ILE A 86 5.980 -5.421 8.186 1.00 0.00 N ATOM 1385 CA ILE A 86 7.257 -6.108 8.037 1.00 0.00 C ATOM 1386 C ILE A 86 7.055 -7.555 7.601 1.00 0.00 C ATOM 1387 O ILE A 86 6.081 -8.200 7.986 1.00 0.00 O ATOM 1388 CB ILE A 86 8.064 -6.087 9.349 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.267 -4.647 9.825 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.403 -6.782 9.158 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.144 -3.825 8.906 1.00 0.00 C ATOM 0 H ILE A 86 5.853 -4.956 9.085 1.00 0.00 H new ATOM 0 HA ILE A 86 7.815 -5.574 7.268 1.00 0.00 H new ATOM 0 HB ILE A 86 7.503 -6.626 10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.295 -4.162 9.916 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.710 -4.661 10.821 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.962 -6.759 10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.236 -7.817 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.972 -6.269 8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.244 -2.816 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.129 -4.286 8.834 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.691 -3.780 7.915 1.00 0.00 H new