USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 713 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 70 THR OG1 : rot -111:sc= 0.1 USER MOD Set 1.2: A 72 HIS :FLIP no HD1:sc= -0.0103 F(o=-1.4,f=0.09) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -0.964 K(o=-0.046,f=-5.1) USER MOD Set 2.2: A 65 TYR OH : rot 137:sc= 0.919 USER MOD Set 3.1: A 51 ASN : amide:sc= -2.23 K(o=-2,f=-2.9) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 174:sc= 0.208 (180deg=-0.488) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Set 4.2: A 41 TYR OH : rot 158:sc= 0 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.161 (180deg=-0.792) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0669) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.19) USER MOD Single : A 10 ASN : amide:sc= -0.475 X(o=-0.47,f=-0.021) USER MOD Single : A 13 MET CE :methyl -170:sc= -9! (180deg=-9.45!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -127:sc= -0.352 (180deg=-2.51!) USER MOD Single : A 18 GLN : amide:sc= -6.12! C(o=-6.1!,f=-5.8!) USER MOD Single : A 19 GLN : amide:sc=-0.000195 X(o=-0.00019,f=0) USER MOD Single : A 24 CYS SG : rot 14:sc= 0.0689 USER MOD Single : A 26 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 29 MET CE :methyl 176:sc= -1.9 (180deg=-2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.1 F(o=-3.1!,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0292 (180deg=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.465 (180deg=-0.927) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0233 (180deg=-0.205) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -0.156 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.13! C(o=-5!,f=-1.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -88:sc= 0.297 USER MOD Single : A 68 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.36) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.026 (180deg=-0.175) USER MOD Single : A 75 TYR OH : rot 165:sc= -0.51 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 80 GLN :FLIP amide:sc= -2.48 F(o=-5.1!,f=-2.5) USER MOD Single : A 88 SER OG : rot 180:sc= -1.48! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.007 14.909 11.361 1.00 0.00 N ATOM 2 CA MET A 1 6.279 14.933 12.131 1.00 0.00 C ATOM 3 C MET A 1 7.465 14.566 11.244 1.00 0.00 C ATOM 4 O MET A 1 8.534 15.169 11.340 1.00 0.00 O ATOM 5 CB MET A 1 6.163 13.946 13.293 1.00 0.00 C ATOM 6 CG MET A 1 7.409 13.879 14.162 1.00 0.00 C ATOM 7 SD MET A 1 7.244 12.705 15.520 1.00 0.00 S ATOM 8 CE MET A 1 5.841 13.394 16.395 1.00 0.00 C ATOM 0 H1 MET A 1 4.238 15.291 11.948 1.00 0.00 H new ATOM 0 H2 MET A 1 5.109 15.489 10.504 1.00 0.00 H new ATOM 0 H3 MET A 1 4.783 13.930 11.092 1.00 0.00 H new ATOM 0 HA MET A 1 6.451 15.941 12.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.312 14.227 13.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.954 12.953 12.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.263 13.598 13.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.619 14.869 14.566 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.986 13.272 17.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.750 14.454 16.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.932 12.875 16.091 1.00 0.00 H new ATOM 20 N SER A 2 7.269 13.574 10.382 1.00 0.00 N ATOM 21 CA SER A 2 8.322 13.127 9.478 1.00 0.00 C ATOM 22 C SER A 2 8.259 13.882 8.155 1.00 0.00 C ATOM 23 O SER A 2 7.178 14.172 7.644 1.00 0.00 O ATOM 24 CB SER A 2 8.204 11.623 9.226 1.00 0.00 C ATOM 25 OG SER A 2 9.219 11.171 8.347 1.00 0.00 O ATOM 0 H SER A 2 6.390 13.064 10.290 1.00 0.00 H new ATOM 0 HA SER A 2 9.283 13.334 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.273 11.086 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.225 11.398 8.802 1.00 0.00 H new ATOM 0 HG SER A 2 9.122 10.206 8.204 1.00 0.00 H new ATOM 31 N ASP A 3 9.428 14.197 7.604 1.00 0.00 N ATOM 32 CA ASP A 3 9.507 14.918 6.340 1.00 0.00 C ATOM 33 C ASP A 3 9.858 13.973 5.196 1.00 0.00 C ATOM 34 O ASP A 3 10.516 14.366 4.233 1.00 0.00 O ATOM 35 CB ASP A 3 10.547 16.037 6.430 1.00 0.00 C ATOM 36 CG ASP A 3 10.215 17.047 7.511 1.00 0.00 C ATOM 37 OD1 ASP A 3 10.129 16.648 8.691 1.00 0.00 O ATOM 38 OD2 ASP A 3 10.043 18.238 7.176 1.00 0.00 O ATOM 0 H ASP A 3 10.332 13.964 8.014 1.00 0.00 H new ATOM 0 HA ASP A 3 8.529 15.356 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.527 15.604 6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.613 16.546 5.469 1.00 0.00 H new ATOM 43 N ARG A 4 9.416 12.725 5.309 1.00 0.00 N ATOM 44 CA ARG A 4 9.684 11.723 4.283 1.00 0.00 C ATOM 45 C ARG A 4 8.384 11.222 3.660 1.00 0.00 C ATOM 46 O ARG A 4 7.319 11.798 3.876 1.00 0.00 O ATOM 47 CB ARG A 4 10.464 10.548 4.879 1.00 0.00 C ATOM 48 CG ARG A 4 11.810 10.945 5.455 1.00 0.00 C ATOM 49 CD ARG A 4 12.701 11.584 4.402 1.00 0.00 C ATOM 50 NE ARG A 4 14.000 11.971 4.947 1.00 0.00 N ATOM 51 CZ ARG A 4 14.960 12.552 4.231 1.00 0.00 C ATOM 52 NH1 ARG A 4 14.772 12.814 2.943 1.00 0.00 N ATOM 53 NH2 ARG A 4 16.113 12.871 4.804 1.00 0.00 N ATOM 0 H ARG A 4 8.871 12.383 6.100 1.00 0.00 H new ATOM 0 HA ARG A 4 10.284 12.190 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.865 10.085 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.616 9.794 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.662 11.642 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.305 10.065 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.847 10.886 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.204 12.463 3.991 1.00 0.00 H new ATOM 0 HE ARG A 4 14.182 11.785 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 4 13.888 12.570 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.512 13.259 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 4 16.264 12.671 5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.849 13.316 4.256 1.00 0.00 H new ATOM 67 N LYS A 5 8.484 10.147 2.885 1.00 0.00 N ATOM 68 CA LYS A 5 7.318 9.567 2.230 1.00 0.00 C ATOM 69 C LYS A 5 7.298 8.051 2.396 1.00 0.00 C ATOM 70 O LYS A 5 7.283 7.308 1.415 1.00 0.00 O ATOM 71 CB LYS A 5 7.308 9.931 0.744 1.00 0.00 C ATOM 72 CG LYS A 5 7.261 11.426 0.482 1.00 0.00 C ATOM 73 CD LYS A 5 7.251 11.730 -1.008 1.00 0.00 C ATOM 74 CE LYS A 5 7.208 13.227 -1.271 1.00 0.00 C ATOM 75 NZ LYS A 5 7.202 13.535 -2.727 1.00 0.00 N ATOM 0 H LYS A 5 9.360 9.660 2.695 1.00 0.00 H new ATOM 0 HA LYS A 5 6.425 9.977 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.198 9.516 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.447 9.461 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.371 11.850 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.123 11.905 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.139 11.303 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.388 11.253 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.318 13.652 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.070 13.703 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.172 14.566 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.063 13.152 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.366 13.103 -3.170 1.00 0.00 H new ATOM 89 N ALA A 6 7.298 7.597 3.646 1.00 0.00 N ATOM 90 CA ALA A 6 7.280 6.169 3.935 1.00 0.00 C ATOM 91 C ALA A 6 7.064 5.908 5.423 1.00 0.00 C ATOM 92 O ALA A 6 8.018 5.710 6.173 1.00 0.00 O ATOM 93 CB ALA A 6 8.572 5.520 3.466 1.00 0.00 C ATOM 0 H ALA A 6 7.310 8.196 4.472 1.00 0.00 H new ATOM 0 HA ALA A 6 6.445 5.726 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.545 4.453 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.682 5.664 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.417 5.977 3.982 1.00 0.00 H new ATOM 99 N VAL A 7 5.802 5.909 5.841 1.00 0.00 N ATOM 100 CA VAL A 7 5.457 5.670 7.237 1.00 0.00 C ATOM 101 C VAL A 7 4.360 4.618 7.352 1.00 0.00 C ATOM 102 O VAL A 7 3.379 4.650 6.611 1.00 0.00 O ATOM 103 CB VAL A 7 4.986 6.965 7.928 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.700 6.714 9.402 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.020 8.069 7.760 1.00 0.00 C ATOM 0 H VAL A 7 5.001 6.073 5.231 1.00 0.00 H new ATOM 0 HA VAL A 7 6.359 5.311 7.733 1.00 0.00 H new ATOM 0 HB VAL A 7 4.061 7.290 7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.369 7.640 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.919 5.960 9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.607 6.362 9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.669 8.975 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.964 7.755 8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.169 8.270 6.699 1.00 0.00 H new ATOM 115 N ILE A 8 4.531 3.682 8.280 1.00 0.00 N ATOM 116 CA ILE A 8 3.550 2.623 8.479 1.00 0.00 C ATOM 117 C ILE A 8 2.713 2.877 9.724 1.00 0.00 C ATOM 118 O ILE A 8 3.117 2.539 10.836 1.00 0.00 O ATOM 119 CB ILE A 8 4.222 1.239 8.608 1.00 0.00 C ATOM 120 CG1 ILE A 8 5.135 0.976 7.412 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.168 0.145 8.726 1.00 0.00 C ATOM 122 CD1 ILE A 8 6.363 1.855 7.393 1.00 0.00 C ATOM 0 H ILE A 8 5.337 3.636 8.904 1.00 0.00 H new ATOM 0 HA ILE A 8 2.908 2.626 7.598 1.00 0.00 H new ATOM 0 HB ILE A 8 4.829 1.232 9.513 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.445 -0.069 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.571 1.131 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.658 -0.824 8.816 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.554 0.325 9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.536 0.151 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.968 1.616 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.061 2.901 7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.948 1.682 8.296 1.00 0.00 H new ATOM 134 N LYS A 9 1.534 3.457 9.530 1.00 0.00 N ATOM 135 CA LYS A 9 0.633 3.733 10.641 1.00 0.00 C ATOM 136 C LYS A 9 0.234 2.436 11.340 1.00 0.00 C ATOM 137 O LYS A 9 -0.228 2.452 12.480 1.00 0.00 O ATOM 138 CB LYS A 9 -0.615 4.463 10.141 1.00 0.00 C ATOM 139 CG LYS A 9 -0.315 5.795 9.472 1.00 0.00 C ATOM 140 CD LYS A 9 -1.583 6.462 8.963 1.00 0.00 C ATOM 141 CE LYS A 9 -2.562 6.737 10.093 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.975 7.628 11.131 1.00 0.00 N ATOM 0 H LYS A 9 1.181 3.744 8.617 1.00 0.00 H new ATOM 0 HA LYS A 9 1.153 4.370 11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.142 3.822 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.288 4.632 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.185 6.455 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.374 5.639 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.328 7.398 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.057 5.823 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.464 7.196 9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.862 5.794 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.725 7.955 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.260 7.104 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.529 8.448 10.673 1.00 0.00 H new ATOM 156 N ASN A 10 0.421 1.315 10.642 1.00 0.00 N ATOM 157 CA ASN A 10 0.089 -0.005 11.177 1.00 0.00 C ATOM 158 C ASN A 10 0.242 -1.062 10.089 1.00 0.00 C ATOM 159 O ASN A 10 -0.180 -0.859 8.953 1.00 0.00 O ATOM 160 CB ASN A 10 -1.344 -0.026 11.723 1.00 0.00 C ATOM 161 CG ASN A 10 -1.736 -1.385 12.270 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.106 -1.904 13.190 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.784 -1.971 11.702 1.00 0.00 N ATOM 0 H ASN A 10 0.804 1.296 9.697 1.00 0.00 H new ATOM 0 HA ASN A 10 0.775 -0.226 11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.440 0.721 12.511 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.036 0.256 10.930 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.094 -2.887 12.027 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.278 -1.505 10.941 1.00 0.00 H new ATOM 170 N ALA A 11 0.853 -2.190 10.436 1.00 0.00 N ATOM 171 CA ALA A 11 1.056 -3.261 9.470 1.00 0.00 C ATOM 172 C ALA A 11 1.225 -4.612 10.155 1.00 0.00 C ATOM 173 O ALA A 11 1.908 -4.726 11.171 1.00 0.00 O ATOM 174 CB ALA A 11 2.265 -2.959 8.598 1.00 0.00 C ATOM 0 H ALA A 11 1.213 -2.384 11.370 1.00 0.00 H new ATOM 0 HA ALA A 11 0.166 -3.316 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.407 -3.767 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.104 -2.023 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.153 -2.871 9.225 1.00 0.00 H new ATOM 180 N ASP A 12 0.602 -5.634 9.578 1.00 0.00 N ATOM 181 CA ASP A 12 0.684 -6.986 10.115 1.00 0.00 C ATOM 182 C ASP A 12 0.965 -7.996 9.001 1.00 0.00 C ATOM 183 O ASP A 12 0.851 -9.204 9.203 1.00 0.00 O ATOM 184 CB ASP A 12 -0.617 -7.349 10.835 1.00 0.00 C ATOM 185 CG ASP A 12 -0.564 -8.727 11.469 1.00 0.00 C ATOM 186 OD1 ASP A 12 0.307 -8.949 12.336 1.00 0.00 O ATOM 187 OD2 ASP A 12 -1.396 -9.583 11.101 1.00 0.00 O ATOM 0 H ASP A 12 0.033 -5.550 8.736 1.00 0.00 H new ATOM 0 HA ASP A 12 1.507 -7.021 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.822 -6.606 11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.444 -7.310 10.126 1.00 0.00 H new ATOM 192 N MET A 13 1.333 -7.491 7.824 1.00 0.00 N ATOM 193 CA MET A 13 1.629 -8.348 6.680 1.00 0.00 C ATOM 194 C MET A 13 3.110 -8.721 6.637 1.00 0.00 C ATOM 195 O MET A 13 3.694 -8.849 5.565 1.00 0.00 O ATOM 196 CB MET A 13 1.234 -7.632 5.383 1.00 0.00 C ATOM 197 CG MET A 13 1.391 -8.468 4.129 1.00 0.00 C ATOM 198 SD MET A 13 1.062 -7.510 2.638 1.00 0.00 S ATOM 199 CE MET A 13 -0.635 -7.016 2.923 1.00 0.00 C ATOM 0 H MET A 13 1.433 -6.493 7.639 1.00 0.00 H new ATOM 0 HA MET A 13 1.052 -9.267 6.782 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.195 -7.311 5.462 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.839 -6.731 5.282 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.403 -8.871 4.086 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.710 -9.318 4.172 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.041 -6.569 2.016 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.228 -7.890 3.194 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.671 -6.288 3.733 1.00 0.00 H new ATOM 209 N SER A 14 3.723 -8.885 7.806 1.00 0.00 N ATOM 210 CA SER A 14 5.131 -9.232 7.881 1.00 0.00 C ATOM 211 C SER A 14 5.982 -8.069 7.398 1.00 0.00 C ATOM 212 O SER A 14 5.956 -7.717 6.220 1.00 0.00 O ATOM 213 CB SER A 14 5.432 -10.487 7.057 1.00 0.00 C ATOM 214 OG SER A 14 6.798 -10.852 7.162 1.00 0.00 O ATOM 0 H SER A 14 3.264 -8.782 8.711 1.00 0.00 H new ATOM 0 HA SER A 14 5.375 -9.444 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.805 -11.310 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.180 -10.309 6.012 1.00 0.00 H new ATOM 0 HG SER A 14 6.964 -11.657 6.628 1.00 0.00 H new ATOM 220 N GLU A 15 6.716 -7.475 8.332 1.00 0.00 N ATOM 221 CA GLU A 15 7.592 -6.326 8.056 1.00 0.00 C ATOM 222 C GLU A 15 8.096 -6.306 6.613 1.00 0.00 C ATOM 223 O GLU A 15 8.190 -5.246 5.995 1.00 0.00 O ATOM 224 CB GLU A 15 8.784 -6.334 9.016 1.00 0.00 C ATOM 225 CG GLU A 15 8.386 -6.239 10.480 1.00 0.00 C ATOM 226 CD GLU A 15 9.581 -6.249 11.411 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.343 -7.238 11.392 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.759 -5.264 12.159 1.00 0.00 O ATOM 0 H GLU A 15 6.725 -7.773 9.308 1.00 0.00 H new ATOM 0 HA GLU A 15 6.995 -5.426 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.357 -7.248 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.442 -5.500 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.814 -5.325 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.729 -7.073 10.729 1.00 0.00 H new ATOM 235 N ASP A 16 8.419 -7.479 6.082 1.00 0.00 N ATOM 236 CA ASP A 16 8.913 -7.591 4.712 1.00 0.00 C ATOM 237 C ASP A 16 7.991 -6.874 3.728 1.00 0.00 C ATOM 238 O ASP A 16 8.456 -6.137 2.858 1.00 0.00 O ATOM 239 CB ASP A 16 9.053 -9.063 4.319 1.00 0.00 C ATOM 240 CG ASP A 16 10.024 -9.811 5.210 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.783 -9.866 6.434 1.00 0.00 O ATOM 242 OD2 ASP A 16 11.024 -10.341 4.685 1.00 0.00 O ATOM 0 H ASP A 16 8.348 -8.367 6.578 1.00 0.00 H new ATOM 0 HA ASP A 16 9.891 -7.112 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.076 -9.543 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.389 -9.129 3.284 1.00 0.00 H new ATOM 247 N MET A 17 6.685 -7.088 3.868 1.00 0.00 N ATOM 248 CA MET A 17 5.716 -6.450 2.986 1.00 0.00 C ATOM 249 C MET A 17 5.619 -4.960 3.265 1.00 0.00 C ATOM 250 O MET A 17 5.236 -4.187 2.391 1.00 0.00 O ATOM 251 CB MET A 17 4.340 -7.113 3.102 1.00 0.00 C ATOM 252 CG MET A 17 4.270 -8.483 2.436 1.00 0.00 C ATOM 253 SD MET A 17 5.311 -9.716 3.240 1.00 0.00 S ATOM 254 CE MET A 17 4.902 -11.172 2.278 1.00 0.00 C ATOM 0 H MET A 17 6.277 -7.694 4.579 1.00 0.00 H new ATOM 0 HA MET A 17 6.068 -6.581 1.963 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.082 -7.216 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.591 -6.460 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.237 -8.830 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.570 -8.388 1.392 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.600 -11.977 2.947 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.083 -10.940 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.774 -11.485 1.704 1.00 0.00 H new ATOM 264 N GLN A 18 5.990 -4.545 4.468 1.00 0.00 N ATOM 265 CA GLN A 18 5.964 -3.133 4.797 1.00 0.00 C ATOM 266 C GLN A 18 7.077 -2.427 4.036 1.00 0.00 C ATOM 267 O GLN A 18 6.902 -1.315 3.543 1.00 0.00 O ATOM 268 CB GLN A 18 6.118 -2.935 6.303 1.00 0.00 C ATOM 269 CG GLN A 18 4.935 -3.463 7.092 1.00 0.00 C ATOM 270 CD GLN A 18 5.210 -3.538 8.577 1.00 0.00 C ATOM 271 OE1 GLN A 18 5.508 -2.533 9.220 1.00 0.00 O ATOM 272 NE2 GLN A 18 5.107 -4.740 9.128 1.00 0.00 N ATOM 0 H GLN A 18 6.307 -5.157 5.220 1.00 0.00 H new ATOM 0 HA GLN A 18 5.005 -2.704 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.025 -3.436 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.244 -1.873 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.072 -2.820 6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.672 -4.455 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.857 -5.545 8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.278 -4.860 10.126 1.00 0.00 H new ATOM 281 N GLN A 19 8.215 -3.106 3.919 1.00 0.00 N ATOM 282 CA GLN A 19 9.354 -2.569 3.198 1.00 0.00 C ATOM 283 C GLN A 19 9.181 -2.764 1.696 1.00 0.00 C ATOM 284 O GLN A 19 9.596 -1.923 0.898 1.00 0.00 O ATOM 285 CB GLN A 19 10.641 -3.242 3.672 1.00 0.00 C ATOM 286 CG GLN A 19 11.881 -2.751 2.949 1.00 0.00 C ATOM 287 CD GLN A 19 13.149 -3.423 3.439 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.503 -3.327 4.614 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.843 -4.108 2.537 1.00 0.00 N ATOM 0 H GLN A 19 8.368 -4.032 4.318 1.00 0.00 H new ATOM 0 HA GLN A 19 9.418 -1.500 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.760 -3.068 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.551 -4.319 3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.769 -2.932 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.971 -1.673 3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.513 -4.162 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.706 -4.580 2.808 1.00 0.00 H new ATOM 298 N ASP A 20 8.557 -3.877 1.314 1.00 0.00 N ATOM 299 CA ASP A 20 8.326 -4.171 -0.093 1.00 0.00 C ATOM 300 C ASP A 20 7.199 -3.303 -0.639 1.00 0.00 C ATOM 301 O ASP A 20 7.345 -2.647 -1.670 1.00 0.00 O ATOM 302 CB ASP A 20 7.984 -5.652 -0.279 1.00 0.00 C ATOM 303 CG ASP A 20 7.765 -6.022 -1.733 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.880 -5.129 -2.599 1.00 0.00 O ATOM 305 OD2 ASP A 20 7.476 -7.206 -2.006 1.00 0.00 O ATOM 0 H ASP A 20 8.205 -4.585 1.958 1.00 0.00 H new ATOM 0 HA ASP A 20 9.239 -3.949 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.790 -6.261 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.086 -5.888 0.291 1.00 0.00 H new ATOM 310 N ALA A 21 6.078 -3.304 0.069 1.00 0.00 N ATOM 311 CA ALA A 21 4.917 -2.517 -0.328 1.00 0.00 C ATOM 312 C ALA A 21 5.249 -1.029 -0.374 1.00 0.00 C ATOM 313 O ALA A 21 5.003 -0.365 -1.381 1.00 0.00 O ATOM 314 CB ALA A 21 3.755 -2.771 0.621 1.00 0.00 C ATOM 0 H ALA A 21 5.947 -3.843 0.925 1.00 0.00 H new ATOM 0 HA ALA A 21 4.627 -2.828 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.896 -2.176 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.491 -3.828 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.044 -2.491 1.634 1.00 0.00 H new ATOM 320 N VAL A 22 5.807 -0.504 0.716 1.00 0.00 N ATOM 321 CA VAL A 22 6.163 0.910 0.774 1.00 0.00 C ATOM 322 C VAL A 22 7.148 1.272 -0.336 1.00 0.00 C ATOM 323 O VAL A 22 6.960 2.261 -1.042 1.00 0.00 O ATOM 324 CB VAL A 22 6.761 1.293 2.144 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.214 2.747 2.152 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.748 1.045 3.253 1.00 0.00 C ATOM 0 H VAL A 22 6.020 -1.032 1.562 1.00 0.00 H new ATOM 0 HA VAL A 22 5.242 1.475 0.632 1.00 0.00 H new ATOM 0 HB VAL A 22 7.634 0.665 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.632 2.993 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.974 2.896 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.361 3.395 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.185 1.320 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.857 1.647 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.475 -0.010 3.267 1.00 0.00 H new ATOM 336 N ASP A 23 8.192 0.463 -0.491 1.00 0.00 N ATOM 337 CA ASP A 23 9.192 0.711 -1.525 1.00 0.00 C ATOM 338 C ASP A 23 8.589 0.535 -2.904 1.00 0.00 C ATOM 339 O ASP A 23 8.932 1.263 -3.829 1.00 0.00 O ATOM 340 CB ASP A 23 10.397 -0.215 -1.347 1.00 0.00 C ATOM 341 CG ASP A 23 11.476 0.030 -2.385 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.002 1.162 -2.438 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.794 -0.910 -3.144 1.00 0.00 O ATOM 0 H ASP A 23 8.367 -0.363 0.081 1.00 0.00 H new ATOM 0 HA ASP A 23 9.534 1.741 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.816 -0.073 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.067 -1.252 -1.409 1.00 0.00 H new ATOM 348 N CYS A 24 7.672 -0.411 -3.038 1.00 0.00 N ATOM 349 CA CYS A 24 7.015 -0.629 -4.317 1.00 0.00 C ATOM 350 C CYS A 24 6.132 0.569 -4.622 1.00 0.00 C ATOM 351 O CYS A 24 6.010 0.997 -5.770 1.00 0.00 O ATOM 352 CB CYS A 24 6.194 -1.918 -4.299 1.00 0.00 C ATOM 353 SG CYS A 24 5.427 -2.324 -5.886 1.00 0.00 S ATOM 0 H CYS A 24 7.369 -1.032 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 24 7.768 -0.736 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.839 -2.743 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.414 -1.830 -3.542 1.00 0.00 H new ATOM 0 HG CYS A 24 5.961 -1.600 -6.824 1.00 0.00 H new ATOM 359 N ALA A 25 5.548 1.127 -3.569 1.00 0.00 N ATOM 360 CA ALA A 25 4.708 2.304 -3.697 1.00 0.00 C ATOM 361 C ALA A 25 5.580 3.543 -3.859 1.00 0.00 C ATOM 362 O ALA A 25 5.156 4.543 -4.438 1.00 0.00 O ATOM 363 CB ALA A 25 3.796 2.442 -2.487 1.00 0.00 C ATOM 0 H ALA A 25 5.643 0.779 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 25 4.080 2.198 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.173 3.330 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.160 1.560 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.400 2.535 -1.585 1.00 0.00 H new ATOM 369 N THR A 26 6.817 3.460 -3.359 1.00 0.00 N ATOM 370 CA THR A 26 7.757 4.564 -3.465 1.00 0.00 C ATOM 371 C THR A 26 8.308 4.640 -4.881 1.00 0.00 C ATOM 372 O THR A 26 8.243 5.687 -5.527 1.00 0.00 O ATOM 373 CB THR A 26 8.901 4.391 -2.462 1.00 0.00 C ATOM 374 OG1 THR A 26 8.404 4.349 -1.136 1.00 0.00 O ATOM 375 CG2 THR A 26 9.931 5.499 -2.529 1.00 0.00 C ATOM 0 H THR A 26 7.184 2.638 -2.879 1.00 0.00 H new ATOM 0 HA THR A 26 7.234 5.493 -3.236 1.00 0.00 H new ATOM 0 HB THR A 26 9.382 3.452 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.184 3.424 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.713 5.314 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.371 5.527 -3.526 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.452 6.455 -2.317 1.00 0.00 H new ATOM 383 N GLN A 27 8.832 3.519 -5.370 1.00 0.00 N ATOM 384 CA GLN A 27 9.370 3.471 -6.724 1.00 0.00 C ATOM 385 C GLN A 27 8.244 3.640 -7.738 1.00 0.00 C ATOM 386 O GLN A 27 8.465 4.110 -8.854 1.00 0.00 O ATOM 387 CB GLN A 27 10.116 2.158 -6.976 1.00 0.00 C ATOM 388 CG GLN A 27 9.229 0.925 -6.930 1.00 0.00 C ATOM 389 CD GLN A 27 9.988 -0.347 -7.255 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.496 -0.512 -8.364 1.00 0.00 O ATOM 391 NE2 GLN A 27 10.075 -1.250 -6.286 1.00 0.00 N ATOM 0 H GLN A 27 8.895 2.641 -4.854 1.00 0.00 H new ATOM 0 HA GLN A 27 10.081 4.289 -6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.600 2.209 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.906 2.053 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.786 0.837 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.408 1.045 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.638 -1.071 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.579 -2.123 -6.446 1.00 0.00 H new ATOM 400 N ALA A 28 7.032 3.264 -7.337 1.00 0.00 N ATOM 401 CA ALA A 28 5.871 3.387 -8.205 1.00 0.00 C ATOM 402 C ALA A 28 5.567 4.853 -8.485 1.00 0.00 C ATOM 403 O ALA A 28 5.518 5.279 -9.638 1.00 0.00 O ATOM 404 CB ALA A 28 4.664 2.707 -7.575 1.00 0.00 C ATOM 0 H ALA A 28 6.832 2.872 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 28 6.094 2.894 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.803 2.808 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.881 1.650 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.442 3.176 -6.616 1.00 0.00 H new ATOM 410 N MET A 29 5.370 5.622 -7.417 1.00 0.00 N ATOM 411 CA MET A 29 5.077 7.045 -7.546 1.00 0.00 C ATOM 412 C MET A 29 6.299 7.806 -8.052 1.00 0.00 C ATOM 413 O MET A 29 6.182 8.924 -8.555 1.00 0.00 O ATOM 414 CB MET A 29 4.626 7.621 -6.203 1.00 0.00 C ATOM 415 CG MET A 29 5.692 7.553 -5.122 1.00 0.00 C ATOM 416 SD MET A 29 5.129 8.230 -3.548 1.00 0.00 S ATOM 417 CE MET A 29 3.724 7.173 -3.208 1.00 0.00 C ATOM 0 H MET A 29 5.408 5.284 -6.455 1.00 0.00 H new ATOM 0 HA MET A 29 4.271 7.159 -8.270 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.330 8.660 -6.344 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.742 7.081 -5.864 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.994 6.515 -4.980 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.575 8.099 -5.453 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.310 7.421 -2.230 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.962 7.323 -3.973 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.043 6.131 -3.213 1.00 0.00 H new ATOM 427 N GLU A 30 7.471 7.190 -7.924 1.00 0.00 N ATOM 428 CA GLU A 30 8.710 7.807 -8.375 1.00 0.00 C ATOM 429 C GLU A 30 8.892 7.591 -9.871 1.00 0.00 C ATOM 430 O GLU A 30 9.186 8.528 -10.615 1.00 0.00 O ATOM 431 CB GLU A 30 9.903 7.224 -7.614 1.00 0.00 C ATOM 432 CG GLU A 30 11.240 7.815 -8.033 1.00 0.00 C ATOM 433 CD GLU A 30 12.405 7.217 -7.270 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.424 7.339 -6.027 1.00 0.00 O ATOM 435 OE2 GLU A 30 13.297 6.626 -7.915 1.00 0.00 O ATOM 0 H GLU A 30 7.586 6.264 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 30 8.656 8.877 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.760 7.392 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.928 6.145 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.387 7.651 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.222 8.893 -7.875 1.00 0.00 H new ATOM 442 N LYS A 31 8.704 6.350 -10.308 1.00 0.00 N ATOM 443 CA LYS A 31 8.838 6.013 -11.718 1.00 0.00 C ATOM 444 C LYS A 31 7.656 6.557 -12.517 1.00 0.00 C ATOM 445 O LYS A 31 7.784 6.858 -13.703 1.00 0.00 O ATOM 446 CB LYS A 31 8.946 4.497 -11.900 1.00 0.00 C ATOM 447 CG LYS A 31 9.138 4.072 -13.348 1.00 0.00 C ATOM 448 CD LYS A 31 9.346 2.570 -13.464 1.00 0.00 C ATOM 449 CE LYS A 31 9.520 2.145 -14.914 1.00 0.00 C ATOM 450 NZ LYS A 31 9.720 0.674 -15.041 1.00 0.00 N ATOM 0 H LYS A 31 8.459 5.564 -9.706 1.00 0.00 H new ATOM 0 HA LYS A 31 9.751 6.475 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.782 4.126 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.044 4.027 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.267 4.366 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.997 4.593 -13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.225 2.277 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.493 2.048 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.642 2.443 -15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.375 2.666 -15.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.835 0.425 -16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.572 0.393 -14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.893 0.176 -14.653 1.00 0.00 H new ATOM 464 N TYR A 32 6.505 6.694 -11.857 1.00 0.00 N ATOM 465 CA TYR A 32 5.311 7.216 -12.515 1.00 0.00 C ATOM 466 C TYR A 32 4.843 8.497 -11.832 1.00 0.00 C ATOM 467 O TYR A 32 5.545 9.044 -10.982 1.00 0.00 O ATOM 468 CB TYR A 32 4.195 6.170 -12.512 1.00 0.00 C ATOM 469 CG TYR A 32 4.591 4.865 -13.166 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.508 4.015 -12.563 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.051 4.486 -14.390 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.876 2.823 -13.159 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.414 3.297 -14.991 1.00 0.00 C ATOM 474 CZ TYR A 32 5.325 2.469 -14.373 1.00 0.00 C ATOM 475 OH TYR A 32 5.689 1.283 -14.969 1.00 0.00 O ATOM 0 H TYR A 32 6.376 6.452 -10.874 1.00 0.00 H new ATOM 0 HA TYR A 32 5.562 7.448 -13.550 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.893 5.975 -11.483 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.325 6.577 -13.028 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.941 4.289 -11.612 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.336 5.132 -14.878 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.591 2.173 -12.677 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.985 3.017 -15.942 1.00 0.00 H new ATOM 0 HH TYR A 32 5.210 1.183 -15.818 1.00 0.00 H new ATOM 485 N ASN A 33 3.660 8.981 -12.207 1.00 0.00 N ATOM 486 CA ASN A 33 3.133 10.208 -11.619 1.00 0.00 C ATOM 487 C ASN A 33 1.607 10.184 -11.528 1.00 0.00 C ATOM 488 O ASN A 33 0.962 11.231 -11.551 1.00 0.00 O ATOM 489 CB ASN A 33 3.585 11.420 -12.441 1.00 0.00 C ATOM 490 CG ASN A 33 3.228 12.762 -11.812 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.748 12.754 -10.568 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 3.401 13.808 -12.437 1.00 0.00 N flip ATOM 0 H ASN A 33 3.056 8.548 -12.906 1.00 0.00 H new ATOM 0 HA ASN A 33 3.527 10.284 -10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.665 11.371 -12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.134 11.363 -13.432 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.770 13.779 -13.387 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.175 14.704 -12.005 1.00 0.00 H new ATOM 499 N ILE A 34 1.027 8.990 -11.416 1.00 0.00 N ATOM 500 CA ILE A 34 -0.417 8.863 -11.311 1.00 0.00 C ATOM 501 C ILE A 34 -0.775 8.153 -10.010 1.00 0.00 C ATOM 502 O ILE A 34 0.105 7.643 -9.320 1.00 0.00 O ATOM 503 CB ILE A 34 -1.005 8.082 -12.506 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.326 8.522 -13.805 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.510 8.294 -12.592 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.876 7.843 -15.041 1.00 0.00 C ATOM 0 H ILE A 34 1.535 8.105 -11.396 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.845 9.865 -11.319 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.818 7.019 -12.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.437 9.601 -13.915 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.742 8.317 -13.734 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.908 7.736 -13.440 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.980 7.942 -11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.721 9.355 -12.724 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.346 8.205 -15.922 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.741 6.765 -14.954 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.938 8.069 -15.138 1.00 0.00 H new ATOM 518 N GLU A 35 -2.055 8.124 -9.668 1.00 0.00 N ATOM 519 CA GLU A 35 -2.492 7.473 -8.440 1.00 0.00 C ATOM 520 C GLU A 35 -3.362 6.257 -8.746 1.00 0.00 C ATOM 521 O GLU A 35 -4.164 5.832 -7.916 1.00 0.00 O ATOM 522 CB GLU A 35 -3.261 8.457 -7.559 1.00 0.00 C ATOM 523 CG GLU A 35 -4.505 9.026 -8.222 1.00 0.00 C ATOM 524 CD GLU A 35 -5.252 9.999 -7.330 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.801 10.229 -6.188 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.292 10.531 -7.773 1.00 0.00 O ATOM 0 H GLU A 35 -2.805 8.541 -10.219 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.605 7.136 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.549 7.955 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.599 9.278 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.221 9.531 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.171 8.208 -8.498 1.00 0.00 H new ATOM 533 N LYS A 36 -3.192 5.700 -9.941 1.00 0.00 N ATOM 534 CA LYS A 36 -3.957 4.532 -10.352 1.00 0.00 C ATOM 535 C LYS A 36 -3.026 3.404 -10.774 1.00 0.00 C ATOM 536 O LYS A 36 -3.167 2.272 -10.314 1.00 0.00 O ATOM 537 CB LYS A 36 -4.910 4.888 -11.494 1.00 0.00 C ATOM 538 CG LYS A 36 -5.915 5.969 -11.132 1.00 0.00 C ATOM 539 CD LYS A 36 -6.836 6.285 -12.300 1.00 0.00 C ATOM 540 CE LYS A 36 -7.844 7.364 -11.938 1.00 0.00 C ATOM 541 NZ LYS A 36 -7.178 8.638 -11.547 1.00 0.00 N ATOM 0 H LYS A 36 -2.531 6.040 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.547 4.194 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.327 5.219 -12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.448 3.991 -11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.508 5.645 -10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.386 6.873 -10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.243 6.611 -13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.363 5.381 -12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.503 7.545 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.470 7.015 -11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.881 9.404 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.749 8.531 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.438 8.870 -12.240 1.00 0.00 H new ATOM 555 N ASP A 37 -2.059 3.720 -11.629 1.00 0.00 N ATOM 556 CA ASP A 37 -1.101 2.719 -12.072 1.00 0.00 C ATOM 557 C ASP A 37 -0.282 2.248 -10.878 1.00 0.00 C ATOM 558 O ASP A 37 0.209 1.120 -10.842 1.00 0.00 O ATOM 559 CB ASP A 37 -0.174 3.290 -13.147 1.00 0.00 C ATOM 560 CG ASP A 37 0.783 4.327 -12.595 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.309 5.341 -12.047 1.00 0.00 O ATOM 562 OD2 ASP A 37 2.008 4.118 -12.701 1.00 0.00 O ATOM 0 H ASP A 37 -1.920 4.650 -12.024 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.644 1.878 -12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.396 2.478 -13.600 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.774 3.739 -13.939 1.00 0.00 H new ATOM 567 N ILE A 38 -0.152 3.137 -9.895 1.00 0.00 N ATOM 568 CA ILE A 38 0.591 2.844 -8.682 1.00 0.00 C ATOM 569 C ILE A 38 -0.037 1.673 -7.937 1.00 0.00 C ATOM 570 O ILE A 38 0.622 0.667 -7.674 1.00 0.00 O ATOM 571 CB ILE A 38 0.627 4.071 -7.746 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.123 5.311 -8.499 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.510 3.793 -6.539 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.548 5.200 -8.989 1.00 0.00 C ATOM 0 H ILE A 38 -0.557 4.073 -9.921 1.00 0.00 H new ATOM 0 HA ILE A 38 1.609 2.586 -8.976 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.387 4.265 -7.396 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.469 5.492 -9.352 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.041 6.179 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.524 4.668 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.115 2.939 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.524 3.572 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.825 6.116 -9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.214 5.051 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.634 4.353 -9.670 1.00 0.00 H new ATOM 586 N ALA A 39 -1.318 1.809 -7.599 1.00 0.00 N ATOM 587 CA ALA A 39 -2.032 0.760 -6.882 1.00 0.00 C ATOM 588 C ALA A 39 -1.980 -0.561 -7.639 1.00 0.00 C ATOM 589 O ALA A 39 -2.024 -1.634 -7.038 1.00 0.00 O ATOM 590 CB ALA A 39 -3.473 1.174 -6.633 1.00 0.00 C ATOM 0 H ALA A 39 -1.880 2.634 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.538 0.614 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.992 0.380 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.492 2.086 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.970 1.353 -7.586 1.00 0.00 H new ATOM 596 N ALA A 40 -1.881 -0.477 -8.960 1.00 0.00 N ATOM 597 CA ALA A 40 -1.820 -1.668 -9.794 1.00 0.00 C ATOM 598 C ALA A 40 -0.437 -2.298 -9.740 1.00 0.00 C ATOM 599 O ALA A 40 -0.300 -3.518 -9.782 1.00 0.00 O ATOM 600 CB ALA A 40 -2.197 -1.331 -11.229 1.00 0.00 C ATOM 0 H ALA A 40 -1.841 0.403 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.537 -2.392 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.146 -2.232 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.211 -0.932 -11.255 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.504 -0.587 -11.622 1.00 0.00 H new ATOM 606 N TYR A 41 0.590 -1.464 -9.642 1.00 0.00 N ATOM 607 CA TYR A 41 1.958 -1.959 -9.582 1.00 0.00 C ATOM 608 C TYR A 41 2.217 -2.672 -8.262 1.00 0.00 C ATOM 609 O TYR A 41 3.007 -3.613 -8.200 1.00 0.00 O ATOM 610 CB TYR A 41 2.956 -0.815 -9.767 1.00 0.00 C ATOM 611 CG TYR A 41 4.396 -1.274 -9.831 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.832 -2.116 -10.846 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.318 -0.866 -8.876 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.146 -2.539 -10.908 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.635 -1.284 -8.930 1.00 0.00 C ATOM 616 CZ TYR A 41 7.043 -2.119 -9.948 1.00 0.00 C ATOM 617 OH TYR A 41 8.354 -2.536 -10.006 1.00 0.00 O ATOM 0 H TYR A 41 0.503 -0.449 -9.603 1.00 0.00 H new ATOM 0 HA TYR A 41 2.093 -2.673 -10.394 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.714 -0.277 -10.683 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.844 -0.109 -8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.132 -2.446 -11.600 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.001 -0.211 -8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.469 -3.195 -11.703 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.340 -0.958 -8.179 1.00 0.00 H new ATOM 0 HH TYR A 41 8.920 -1.906 -9.512 1.00 0.00 H new ATOM 627 N ILE A 42 1.529 -2.239 -7.210 1.00 0.00 N ATOM 628 CA ILE A 42 1.675 -2.864 -5.905 1.00 0.00 C ATOM 629 C ILE A 42 0.763 -4.078 -5.832 1.00 0.00 C ATOM 630 O ILE A 42 1.160 -5.150 -5.369 1.00 0.00 O ATOM 631 CB ILE A 42 1.346 -1.886 -4.749 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.436 -0.814 -4.614 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.187 -2.638 -3.434 1.00 0.00 C ATOM 634 CD1 ILE A 42 2.504 0.153 -5.775 1.00 0.00 C ATOM 0 H ILE A 42 0.869 -1.462 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 42 2.716 -3.163 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 42 0.402 -1.394 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.264 -0.251 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.403 -1.306 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.956 -1.932 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.376 -3.361 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.114 -3.160 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.300 0.877 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.709 -0.396 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.552 0.676 -5.869 1.00 0.00 H new ATOM 646 N LYS A 43 -0.460 -3.903 -6.321 1.00 0.00 N ATOM 647 CA LYS A 43 -1.433 -4.980 -6.341 1.00 0.00 C ATOM 648 C LYS A 43 -0.974 -6.076 -7.290 1.00 0.00 C ATOM 649 O LYS A 43 -1.243 -7.256 -7.065 1.00 0.00 O ATOM 650 CB LYS A 43 -2.804 -4.453 -6.769 1.00 0.00 C ATOM 651 CG LYS A 43 -3.882 -5.523 -6.807 1.00 0.00 C ATOM 652 CD LYS A 43 -5.227 -4.950 -7.224 1.00 0.00 C ATOM 653 CE LYS A 43 -5.164 -4.336 -8.612 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.765 -5.335 -9.643 1.00 0.00 N ATOM 0 H LYS A 43 -0.798 -3.022 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.519 -5.393 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.111 -3.664 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.718 -4.001 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.590 -6.310 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.972 -5.984 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.980 -5.738 -7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.540 -4.194 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.137 -3.918 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.453 -3.510 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.067 -5.005 -10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.731 -5.451 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.217 -6.248 -9.435 1.00 0.00 H new ATOM 668 N LYS A 44 -0.266 -5.684 -8.350 1.00 0.00 N ATOM 669 CA LYS A 44 0.234 -6.653 -9.321 1.00 0.00 C ATOM 670 C LYS A 44 1.548 -7.269 -8.849 1.00 0.00 C ATOM 671 O LYS A 44 1.775 -8.466 -9.015 1.00 0.00 O ATOM 672 CB LYS A 44 0.421 -6.002 -10.693 1.00 0.00 C ATOM 673 CG LYS A 44 -0.887 -5.654 -11.387 1.00 0.00 C ATOM 674 CD LYS A 44 -1.696 -6.900 -11.707 1.00 0.00 C ATOM 675 CE LYS A 44 -2.997 -6.554 -12.412 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.796 -7.769 -12.732 1.00 0.00 N ATOM 0 H LYS A 44 -0.029 -4.713 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.508 -7.447 -9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.013 -5.094 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.992 -6.676 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.473 -4.992 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.678 -5.108 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.106 -7.566 -12.336 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.913 -7.441 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.586 -5.888 -11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.778 -6.011 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.675 -7.490 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.245 -8.393 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.027 -8.274 -11.853 1.00 0.00 H new ATOM 690 N GLU A 45 2.408 -6.447 -8.253 1.00 0.00 N ATOM 691 CA GLU A 45 3.695 -6.924 -7.755 1.00 0.00 C ATOM 692 C GLU A 45 3.510 -8.111 -6.812 1.00 0.00 C ATOM 693 O GLU A 45 4.195 -9.125 -6.936 1.00 0.00 O ATOM 694 CB GLU A 45 4.441 -5.797 -7.038 1.00 0.00 C ATOM 695 CG GLU A 45 5.781 -6.224 -6.458 1.00 0.00 C ATOM 696 CD GLU A 45 6.738 -6.737 -7.516 1.00 0.00 C ATOM 697 OE1 GLU A 45 7.064 -5.968 -8.445 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.159 -7.909 -7.417 1.00 0.00 O ATOM 0 H GLU A 45 2.238 -5.452 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 45 4.286 -7.252 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.603 -4.977 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.813 -5.411 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.235 -5.378 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.618 -7.002 -5.712 1.00 0.00 H new ATOM 705 N PHE A 46 2.579 -7.976 -5.874 1.00 0.00 N ATOM 706 CA PHE A 46 2.306 -9.041 -4.915 1.00 0.00 C ATOM 707 C PHE A 46 1.420 -10.123 -5.528 1.00 0.00 C ATOM 708 O PHE A 46 1.673 -11.312 -5.362 1.00 0.00 O ATOM 709 CB PHE A 46 1.642 -8.472 -3.660 1.00 0.00 C ATOM 710 CG PHE A 46 2.541 -7.571 -2.862 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.711 -8.058 -2.304 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.215 -6.239 -2.669 1.00 0.00 C ATOM 713 CE1 PHE A 46 4.540 -7.234 -1.566 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.040 -5.408 -1.933 1.00 0.00 C ATOM 715 CZ PHE A 46 4.204 -5.908 -1.381 1.00 0.00 C ATOM 0 H PHE A 46 2.002 -7.143 -5.757 1.00 0.00 H new ATOM 0 HA PHE A 46 3.259 -9.494 -4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.750 -7.917 -3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.313 -9.296 -3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.979 -9.094 -2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.306 -5.844 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.449 -7.627 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.775 -4.371 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.850 -5.262 -0.805 1.00 0.00 H new ATOM 725 N ASP A 47 0.380 -9.702 -6.236 1.00 0.00 N ATOM 726 CA ASP A 47 -0.543 -10.639 -6.869 1.00 0.00 C ATOM 727 C ASP A 47 0.131 -11.425 -7.996 1.00 0.00 C ATOM 728 O ASP A 47 -0.447 -12.370 -8.531 1.00 0.00 O ATOM 729 CB ASP A 47 -1.758 -9.887 -7.417 1.00 0.00 C ATOM 730 CG ASP A 47 -2.804 -10.818 -7.995 1.00 0.00 C ATOM 731 OD1 ASP A 47 -3.352 -11.639 -7.230 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.077 -10.724 -9.210 1.00 0.00 O ATOM 0 H ASP A 47 0.153 -8.719 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.864 -11.352 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.205 -9.294 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.432 -9.189 -8.188 1.00 0.00 H new ATOM 737 N LYS A 48 1.344 -11.022 -8.369 1.00 0.00 N ATOM 738 CA LYS A 48 2.071 -11.684 -9.448 1.00 0.00 C ATOM 739 C LYS A 48 2.781 -12.955 -8.981 1.00 0.00 C ATOM 740 O LYS A 48 3.009 -13.865 -9.779 1.00 0.00 O ATOM 741 CB LYS A 48 3.089 -10.721 -10.068 1.00 0.00 C ATOM 742 CG LYS A 48 3.912 -11.338 -11.186 1.00 0.00 C ATOM 743 CD LYS A 48 3.033 -11.801 -12.337 1.00 0.00 C ATOM 744 CE LYS A 48 2.256 -10.644 -12.946 1.00 0.00 C ATOM 745 NZ LYS A 48 3.161 -9.586 -13.474 1.00 0.00 N ATOM 0 H LYS A 48 1.842 -10.242 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 48 1.334 -11.977 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.562 -9.849 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.762 -10.366 -9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.636 -10.609 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.479 -12.184 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.652 -12.268 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.337 -12.561 -11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.623 -11.016 -13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.595 -10.214 -12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.614 -8.920 -14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.598 -9.075 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.904 -10.023 -14.055 1.00 0.00 H new ATOM 759 N LYS A 49 3.151 -13.022 -7.704 1.00 0.00 N ATOM 760 CA LYS A 49 3.854 -14.200 -7.194 1.00 0.00 C ATOM 761 C LYS A 49 3.566 -14.463 -5.716 1.00 0.00 C ATOM 762 O LYS A 49 4.469 -14.821 -4.958 1.00 0.00 O ATOM 763 CB LYS A 49 5.361 -14.038 -7.403 1.00 0.00 C ATOM 764 CG LYS A 49 5.949 -12.835 -6.684 1.00 0.00 C ATOM 765 CD LYS A 49 7.450 -12.731 -6.905 1.00 0.00 C ATOM 766 CE LYS A 49 7.788 -12.576 -8.378 1.00 0.00 C ATOM 767 NZ LYS A 49 9.255 -12.453 -8.601 1.00 0.00 N ATOM 0 H LYS A 49 2.981 -12.291 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 49 3.486 -15.059 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.866 -14.940 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.564 -13.948 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.464 -11.925 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.742 -12.911 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.842 -11.879 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.939 -13.622 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.408 -13.435 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.285 -11.694 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.444 -12.349 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.614 -11.618 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.733 -13.306 -8.245 1.00 0.00 H new ATOM 781 N TYR A 50 2.312 -14.307 -5.308 1.00 0.00 N ATOM 782 CA TYR A 50 1.932 -14.553 -3.920 1.00 0.00 C ATOM 783 C TYR A 50 0.673 -15.414 -3.841 1.00 0.00 C ATOM 784 O TYR A 50 0.757 -16.638 -3.735 1.00 0.00 O ATOM 785 CB TYR A 50 1.729 -13.238 -3.161 1.00 0.00 C ATOM 786 CG TYR A 50 3.016 -12.498 -2.857 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.845 -12.042 -3.875 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.403 -12.259 -1.543 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.020 -11.370 -3.593 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.575 -11.587 -1.254 1.00 0.00 C ATOM 791 CZ TYR A 50 5.380 -11.146 -2.282 1.00 0.00 C ATOM 792 OH TYR A 50 6.547 -10.478 -1.998 1.00 0.00 O ATOM 0 H TYR A 50 1.545 -14.013 -5.913 1.00 0.00 H new ATOM 0 HA TYR A 50 2.750 -15.097 -3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.078 -12.589 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.212 -13.447 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.567 -12.216 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.776 -12.605 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.653 -11.022 -4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.859 -11.408 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 50 6.653 -10.402 -1.027 1.00 0.00 H new ATOM 802 N ASN A 51 -0.490 -14.772 -3.890 1.00 0.00 N ATOM 803 CA ASN A 51 -1.763 -15.485 -3.822 1.00 0.00 C ATOM 804 C ASN A 51 -2.932 -14.502 -3.890 1.00 0.00 C ATOM 805 O ASN A 51 -3.229 -13.814 -2.914 1.00 0.00 O ATOM 806 CB ASN A 51 -1.846 -16.299 -2.524 1.00 0.00 C ATOM 807 CG ASN A 51 -3.112 -17.141 -2.406 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.379 -17.716 -1.351 1.00 0.00 O ATOM 809 ND2 ASN A 51 -3.888 -17.244 -3.483 1.00 0.00 N ATOM 0 H ASN A 51 -0.578 -13.760 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.823 -16.163 -4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.978 -16.955 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.793 -15.618 -1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.734 -17.813 -3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.637 -16.754 -4.341 1.00 0.00 H new ATOM 816 N PRO A 52 -3.618 -14.421 -5.045 1.00 0.00 N ATOM 817 CA PRO A 52 -4.754 -13.512 -5.216 1.00 0.00 C ATOM 818 C PRO A 52 -5.854 -13.769 -4.184 1.00 0.00 C ATOM 819 O PRO A 52 -5.904 -14.848 -3.594 1.00 0.00 O ATOM 820 CB PRO A 52 -5.266 -13.822 -6.628 1.00 0.00 C ATOM 821 CG PRO A 52 -4.122 -14.478 -7.326 1.00 0.00 C ATOM 822 CD PRO A 52 -3.342 -15.201 -6.265 1.00 0.00 C ATOM 0 HA PRO A 52 -4.462 -12.471 -5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.136 -14.478 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.572 -12.912 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.477 -15.171 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.500 -13.740 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.668 -16.236 -6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.277 -15.224 -6.495 1.00 0.00 H new ATOM 830 N THR A 53 -6.740 -12.789 -3.959 1.00 0.00 N ATOM 831 CA THR A 53 -6.702 -11.496 -4.648 1.00 0.00 C ATOM 832 C THR A 53 -6.350 -10.376 -3.671 1.00 0.00 C ATOM 833 O THR A 53 -6.782 -10.390 -2.519 1.00 0.00 O ATOM 834 CB THR A 53 -8.058 -11.208 -5.297 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.396 -12.226 -6.223 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.101 -9.887 -6.034 1.00 0.00 C ATOM 0 H THR A 53 -7.506 -12.873 -3.291 1.00 0.00 H new ATOM 0 HA THR A 53 -5.934 -11.540 -5.421 1.00 0.00 H new ATOM 0 HB THR A 53 -8.770 -11.169 -4.473 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.266 -12.026 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.090 -9.746 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.892 -9.075 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.352 -9.888 -6.826 1.00 0.00 H new ATOM 844 N TRP A 54 -5.566 -9.410 -4.138 1.00 0.00 N ATOM 845 CA TRP A 54 -5.162 -8.287 -3.299 1.00 0.00 C ATOM 846 C TRP A 54 -5.817 -6.993 -3.772 1.00 0.00 C ATOM 847 O TRP A 54 -5.893 -6.731 -4.972 1.00 0.00 O ATOM 848 CB TRP A 54 -3.642 -8.118 -3.321 1.00 0.00 C ATOM 849 CG TRP A 54 -2.886 -9.356 -2.945 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.854 -10.539 -3.626 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.049 -9.529 -1.798 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.042 -11.436 -2.974 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.537 -10.841 -1.847 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.682 -8.703 -0.734 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.675 -11.339 -0.872 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.832 -9.201 0.229 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.335 -10.506 0.157 1.00 0.00 C ATOM 0 H TRP A 54 -5.199 -9.382 -5.089 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.487 -8.501 -2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.336 -7.807 -4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.366 -7.315 -2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.388 -10.740 -4.543 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.847 -12.390 -3.279 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.057 -7.693 -0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.290 -12.346 -0.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.543 -8.570 1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.330 -10.863 0.929 1.00 0.00 H new ATOM 868 N HIS A 55 -6.280 -6.183 -2.825 1.00 0.00 N ATOM 869 CA HIS A 55 -6.922 -4.913 -3.151 1.00 0.00 C ATOM 870 C HIS A 55 -6.196 -3.745 -2.488 1.00 0.00 C ATOM 871 O HIS A 55 -6.420 -3.452 -1.313 1.00 0.00 O ATOM 872 CB HIS A 55 -8.389 -4.924 -2.712 1.00 0.00 C ATOM 873 CG HIS A 55 -9.241 -5.919 -3.444 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.573 -6.125 -3.148 1.00 0.00 N ATOM 875 CD2 HIS A 55 -8.952 -6.759 -4.465 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.063 -7.049 -3.954 1.00 0.00 C ATOM 877 NE2 HIS A 55 -10.100 -7.449 -4.763 1.00 0.00 N ATOM 0 H HIS A 55 -6.223 -6.383 -1.826 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.873 -4.785 -4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.436 -5.138 -1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.808 -3.928 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.995 -6.866 -4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.079 -7.415 -3.952 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.194 -8.156 -5.492 1.00 0.00 H new ATOM 886 N CYS A 56 -5.333 -3.078 -3.246 1.00 0.00 N ATOM 887 CA CYS A 56 -4.582 -1.937 -2.731 1.00 0.00 C ATOM 888 C CYS A 56 -5.430 -0.671 -2.781 1.00 0.00 C ATOM 889 O CYS A 56 -6.198 -0.469 -3.721 1.00 0.00 O ATOM 890 CB CYS A 56 -3.298 -1.737 -3.540 1.00 0.00 C ATOM 891 SG CYS A 56 -2.277 -0.356 -2.978 1.00 0.00 S ATOM 0 H CYS A 56 -5.135 -3.307 -4.220 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.319 -2.141 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.708 -2.652 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.562 -1.578 -4.586 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.215 -0.271 -3.722 1.00 0.00 H new ATOM 897 N ILE A 57 -5.297 0.179 -1.766 1.00 0.00 N ATOM 898 CA ILE A 57 -6.067 1.417 -1.714 1.00 0.00 C ATOM 899 C ILE A 57 -5.171 2.637 -1.738 1.00 0.00 C ATOM 900 O ILE A 57 -4.095 2.641 -1.142 1.00 0.00 O ATOM 901 CB ILE A 57 -6.930 1.509 -0.454 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.641 0.196 -0.194 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.934 2.637 -0.580 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.460 -0.302 -1.366 1.00 0.00 C ATOM 0 H ILE A 57 -4.669 0.035 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.704 1.397 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.276 1.719 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.901 -0.561 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.295 0.313 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.539 2.688 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.406 3.581 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.580 2.455 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.937 -1.246 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.224 0.434 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.809 -0.454 -2.227 1.00 0.00 H new ATOM 916 N VAL A 58 -5.640 3.667 -2.426 1.00 0.00 N ATOM 917 CA VAL A 58 -4.910 4.914 -2.548 1.00 0.00 C ATOM 918 C VAL A 58 -5.780 6.111 -2.156 1.00 0.00 C ATOM 919 O VAL A 58 -6.528 6.645 -2.975 1.00 0.00 O ATOM 920 CB VAL A 58 -4.402 5.090 -3.988 1.00 0.00 C ATOM 921 CG1 VAL A 58 -5.558 5.259 -4.963 1.00 0.00 C ATOM 922 CG2 VAL A 58 -3.430 6.256 -4.081 1.00 0.00 C ATOM 0 H VAL A 58 -6.536 3.659 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.062 4.872 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.866 4.183 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.167 5.381 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.197 4.377 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.139 6.140 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.084 6.360 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.931 7.173 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.577 6.071 -3.429 1.00 0.00 H new ATOM 932 N GLY A 59 -5.679 6.529 -0.897 1.00 0.00 N ATOM 933 CA GLY A 59 -6.465 7.660 -0.433 1.00 0.00 C ATOM 934 C GLY A 59 -6.442 7.817 1.075 1.00 0.00 C ATOM 935 O GLY A 59 -5.538 8.446 1.625 1.00 0.00 O ATOM 0 H GLY A 59 -5.071 6.108 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.086 8.572 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.496 7.540 -0.765 1.00 0.00 H new ATOM 939 N ARG A 60 -7.442 7.253 1.747 1.00 0.00 N ATOM 940 CA ARG A 60 -7.532 7.347 3.200 1.00 0.00 C ATOM 941 C ARG A 60 -7.639 5.966 3.848 1.00 0.00 C ATOM 942 O ARG A 60 -6.634 5.389 4.261 1.00 0.00 O ATOM 943 CB ARG A 60 -8.724 8.221 3.600 1.00 0.00 C ATOM 944 CG ARG A 60 -8.609 9.660 3.123 1.00 0.00 C ATOM 945 CD ARG A 60 -9.834 10.474 3.508 1.00 0.00 C ATOM 946 NE ARG A 60 -11.057 9.933 2.921 1.00 0.00 N ATOM 947 CZ ARG A 60 -12.264 10.468 3.097 1.00 0.00 C ATOM 948 NH1 ARG A 60 -12.414 11.557 3.842 1.00 0.00 N ATOM 949 NH2 ARG A 60 -13.324 9.912 2.528 1.00 0.00 N ATOM 0 H ARG A 60 -8.199 6.728 1.310 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.614 7.810 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.637 7.784 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.822 8.213 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.718 10.117 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.485 9.677 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.930 10.493 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.701 11.506 3.182 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.982 9.096 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.602 11.989 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.341 11.962 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.215 9.075 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.249 10.321 2.662 1.00 0.00 H new ATOM 963 N ASN A 61 -8.860 5.444 3.947 1.00 0.00 N ATOM 964 CA ASN A 61 -9.081 4.137 4.558 1.00 0.00 C ATOM 965 C ASN A 61 -10.238 3.392 3.894 1.00 0.00 C ATOM 966 O ASN A 61 -10.757 2.422 4.448 1.00 0.00 O ATOM 967 CB ASN A 61 -9.387 4.303 6.054 1.00 0.00 C ATOM 968 CG ASN A 61 -10.802 4.814 6.351 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.562 5.203 5.319 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -11.206 4.872 7.512 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.707 5.904 3.613 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.171 3.553 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.247 3.343 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.664 4.994 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.604 4.568 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.143 5.224 7.709 1.00 0.00 H new ATOM 977 N PHE A 62 -10.668 3.871 2.733 1.00 0.00 N ATOM 978 CA PHE A 62 -11.793 3.267 2.036 1.00 0.00 C ATOM 979 C PHE A 62 -11.414 1.901 1.461 1.00 0.00 C ATOM 980 O PHE A 62 -11.605 1.643 0.274 1.00 0.00 O ATOM 981 CB PHE A 62 -12.278 4.184 0.902 1.00 0.00 C ATOM 982 CG PHE A 62 -11.275 4.335 -0.210 1.00 0.00 C ATOM 983 CD1 PHE A 62 -10.143 5.117 -0.046 1.00 0.00 C ATOM 984 CD2 PHE A 62 -11.453 3.664 -1.410 1.00 0.00 C ATOM 985 CE1 PHE A 62 -9.208 5.225 -1.055 1.00 0.00 C ATOM 986 CE2 PHE A 62 -10.523 3.774 -2.425 1.00 0.00 C ATOM 987 CZ PHE A 62 -9.399 4.552 -2.246 1.00 0.00 C ATOM 0 H PHE A 62 -10.255 4.673 2.257 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.597 3.131 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.206 3.785 0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.507 5.168 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.991 5.648 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.329 3.048 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.328 5.835 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -10.676 3.251 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.668 4.635 -3.037 1.00 0.00 H new ATOM 997 N GLY A 63 -10.864 1.030 2.299 1.00 0.00 N ATOM 998 CA GLY A 63 -10.457 -0.280 1.831 1.00 0.00 C ATOM 999 C GLY A 63 -11.609 -1.252 1.686 1.00 0.00 C ATOM 1000 O GLY A 63 -11.870 -1.741 0.588 1.00 0.00 O ATOM 0 H GLY A 63 -10.694 1.207 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.957 -0.174 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.727 -0.695 2.526 1.00 0.00 H new ATOM 1004 N SER A 64 -12.282 -1.554 2.796 1.00 0.00 N ATOM 1005 CA SER A 64 -13.395 -2.491 2.794 1.00 0.00 C ATOM 1006 C SER A 64 -12.869 -3.917 2.791 1.00 0.00 C ATOM 1007 O SER A 64 -12.180 -4.334 1.861 1.00 0.00 O ATOM 1008 CB SER A 64 -14.323 -2.266 1.594 1.00 0.00 C ATOM 1009 OG SER A 64 -14.771 -0.921 1.542 1.00 0.00 O ATOM 0 H SER A 64 -12.070 -1.158 3.712 1.00 0.00 H new ATOM 0 HA SER A 64 -13.979 -2.321 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.797 -2.514 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.180 -2.936 1.662 1.00 0.00 H new ATOM 0 HG SER A 64 -15.360 -0.802 0.768 1.00 0.00 H new ATOM 1015 N TYR A 65 -13.174 -4.640 3.860 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.729 -6.021 4.030 1.00 0.00 C ATOM 1017 C TYR A 65 -11.223 -6.125 3.864 1.00 0.00 C ATOM 1018 O TYR A 65 -10.724 -6.767 2.940 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.442 -6.986 3.071 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.372 -6.611 1.605 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.297 -5.735 1.046 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -12.380 -7.131 0.779 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -14.236 -5.390 -0.291 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.314 -6.790 -0.558 1.00 0.00 C ATOM 1025 CZ TYR A 65 -13.244 -5.920 -1.088 1.00 0.00 C ATOM 1026 OH TYR A 65 -13.180 -5.577 -2.421 1.00 0.00 O ATOM 0 H TYR A 65 -13.736 -4.288 4.635 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.995 -6.318 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.012 -7.980 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.490 -7.053 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.076 -5.318 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.650 -7.812 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.962 -4.709 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.538 -7.203 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 65 -12.248 -5.403 -2.670 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.508 -5.480 4.773 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.052 -5.479 4.748 1.00 0.00 C ATOM 1038 C VAL A 66 -8.473 -6.576 5.639 1.00 0.00 C ATOM 1039 O VAL A 66 -7.344 -7.022 5.434 1.00 0.00 O ATOM 1040 CB VAL A 66 -8.494 -4.115 5.201 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -6.976 -4.096 5.121 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -9.097 -2.991 4.369 1.00 0.00 C ATOM 0 H VAL A 66 -10.915 -4.947 5.542 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.754 -5.670 3.717 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.775 -3.959 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.607 -3.123 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.568 -4.873 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.664 -4.278 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.693 -2.035 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.850 -3.144 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.180 -2.989 4.491 1.00 0.00 H new ATOM 1052 N THR A 67 -9.242 -7.005 6.633 1.00 0.00 N ATOM 1053 CA THR A 67 -8.782 -8.042 7.552 1.00 0.00 C ATOM 1054 C THR A 67 -9.860 -9.094 7.795 1.00 0.00 C ATOM 1055 O THR A 67 -9.556 -10.269 7.998 1.00 0.00 O ATOM 1056 CB THR A 67 -8.355 -7.404 8.877 1.00 0.00 C ATOM 1057 OG1 THR A 67 -7.320 -6.459 8.665 1.00 0.00 O ATOM 1058 CG2 THR A 67 -7.855 -8.402 9.900 1.00 0.00 C ATOM 0 H THR A 67 -10.181 -6.654 6.823 1.00 0.00 H new ATOM 0 HA THR A 67 -7.928 -8.545 7.098 1.00 0.00 H new ATOM 0 HB THR A 67 -9.256 -6.932 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.451 -6.910 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.571 -7.877 10.812 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.645 -9.119 10.125 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.989 -8.930 9.500 1.00 0.00 H new ATOM 1066 N HIS A 68 -11.118 -8.673 7.771 1.00 0.00 N ATOM 1067 CA HIS A 68 -12.231 -9.590 7.986 1.00 0.00 C ATOM 1068 C HIS A 68 -12.370 -10.590 6.837 1.00 0.00 C ATOM 1069 O HIS A 68 -13.196 -11.500 6.902 1.00 0.00 O ATOM 1070 CB HIS A 68 -13.534 -8.805 8.155 1.00 0.00 C ATOM 1071 CG HIS A 68 -14.733 -9.674 8.379 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -14.849 -10.536 9.449 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -15.874 -9.812 7.663 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -16.008 -11.166 9.382 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -16.649 -10.745 8.308 1.00 0.00 N ATOM 0 H HIS A 68 -11.393 -7.705 7.605 1.00 0.00 H new ATOM 0 HA HIS A 68 -12.025 -10.153 8.896 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.429 -8.121 8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.699 -8.195 7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.128 -9.286 6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.370 -11.901 10.086 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.570 -11.061 8.006 1.00 0.00 H new ATOM 1084 N GLU A 69 -11.574 -10.419 5.782 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.644 -11.314 4.634 1.00 0.00 C ATOM 1086 C GLU A 69 -10.681 -12.492 4.772 1.00 0.00 C ATOM 1087 O GLU A 69 -11.076 -13.645 4.600 1.00 0.00 O ATOM 1088 CB GLU A 69 -11.379 -10.557 3.323 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.926 -10.160 3.096 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.444 -9.065 4.027 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -10.269 -8.524 4.792 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -8.240 -8.740 3.978 1.00 0.00 O ATOM 0 H GLU A 69 -10.880 -9.676 5.701 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.658 -11.714 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.706 -11.178 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.993 -9.657 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.294 -11.039 3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.806 -9.828 2.065 1.00 0.00 H new ATOM 1099 N THR A 70 -9.418 -12.207 5.068 1.00 0.00 N ATOM 1100 CA THR A 70 -8.416 -13.266 5.206 1.00 0.00 C ATOM 1101 C THR A 70 -7.554 -13.069 6.444 1.00 0.00 C ATOM 1102 O THR A 70 -7.272 -14.020 7.169 1.00 0.00 O ATOM 1103 CB THR A 70 -7.518 -13.301 3.968 1.00 0.00 C ATOM 1104 OG1 THR A 70 -6.843 -14.543 3.874 1.00 0.00 O ATOM 1105 CG2 THR A 70 -6.463 -12.216 3.955 1.00 0.00 C ATOM 0 H THR A 70 -9.063 -11.263 5.216 1.00 0.00 H new ATOM 0 HA THR A 70 -8.950 -14.211 5.308 1.00 0.00 H new ATOM 0 HB THR A 70 -8.191 -13.144 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.886 -14.408 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.864 -12.302 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.946 -11.239 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.819 -12.324 4.828 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.125 -11.822 6.637 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.255 -11.415 7.754 1.00 0.00 C ATOM 1115 C LYS A 71 -4.853 -11.097 7.236 1.00 0.00 C ATOM 1116 O LYS A 71 -3.856 -11.320 7.924 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.161 -12.482 8.858 1.00 0.00 C ATOM 1118 CG LYS A 71 -7.481 -12.773 9.558 1.00 0.00 C ATOM 1119 CD LYS A 71 -8.005 -11.554 10.297 1.00 0.00 C ATOM 1120 CE LYS A 71 -7.025 -11.075 11.356 1.00 0.00 C ATOM 1121 NZ LYS A 71 -6.742 -12.129 12.369 1.00 0.00 N ATOM 0 H LYS A 71 -7.372 -11.051 6.016 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.707 -10.527 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.782 -13.407 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.433 -12.157 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.218 -13.098 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.347 -13.595 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.194 -10.750 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.959 -11.795 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.094 -10.772 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.430 -10.193 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.224 -11.712 13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.638 -12.532 12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.166 -12.880 11.937 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.791 -10.577 6.013 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.523 -10.223 5.381 1.00 0.00 C ATOM 1137 C HIS A 72 -3.566 -8.791 4.858 1.00 0.00 C ATOM 1138 O HIS A 72 -3.773 -8.559 3.667 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.225 -11.186 4.231 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.950 -12.589 4.674 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.644 -13.735 4.470 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -1.851 -12.937 5.427 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -2.955 -14.743 5.099 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -1.877 -14.237 5.668 1.00 0.00 N flip ATOM 0 H HIS A 72 -5.611 -10.390 5.436 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.732 -10.298 6.127 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.072 -11.191 3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.365 -10.816 3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.087 -12.254 5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.248 -15.782 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.183 -14.759 6.202 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.388 -7.833 5.758 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.424 -6.420 5.391 1.00 0.00 C ATOM 1155 C PHE A 73 -2.091 -5.730 5.684 1.00 0.00 C ATOM 1156 O PHE A 73 -1.215 -6.301 6.330 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.521 -5.713 6.177 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.122 -5.445 7.596 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.031 -6.470 8.523 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.790 -4.165 7.986 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.622 -6.214 9.817 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.383 -3.897 9.274 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.298 -4.924 10.195 1.00 0.00 C ATOM 0 H PHE A 73 -3.217 -8.007 6.748 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.621 -6.362 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.766 -4.771 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.424 -6.323 6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.282 -7.479 8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.850 -3.359 7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.555 -7.020 10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.131 -2.887 9.564 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.980 -4.720 11.207 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.960 -4.484 5.228 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.747 -3.704 5.461 1.00 0.00 C ATOM 1175 C ILE A 74 -0.961 -2.231 5.100 1.00 0.00 C ATOM 1176 O ILE A 74 -1.109 -1.887 3.927 1.00 0.00 O ATOM 1177 CB ILE A 74 0.442 -4.258 4.650 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.725 -3.505 5.001 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.165 -4.167 3.156 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.942 -4.011 4.258 1.00 0.00 C ATOM 0 H ILE A 74 -2.679 -3.995 4.696 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.517 -3.783 6.524 1.00 0.00 H new ATOM 0 HB ILE A 74 0.573 -5.308 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.588 -2.446 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.903 -3.586 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.017 -4.563 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.726 -4.747 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.005 -3.125 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.816 -3.432 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.104 -5.062 4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.784 -3.904 3.185 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.975 -1.360 6.110 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.166 0.073 5.881 1.00 0.00 C ATOM 1194 C TYR A 75 0.162 0.816 5.845 1.00 0.00 C ATOM 1195 O TYR A 75 1.147 0.385 6.445 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.049 0.696 6.967 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.507 0.320 6.874 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.907 -0.999 6.980 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.485 1.290 6.688 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.243 -1.350 6.902 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.822 0.951 6.608 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.196 -0.371 6.716 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.526 -0.716 6.640 1.00 0.00 O ATOM 0 H TYR A 75 -0.857 -1.620 7.089 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.657 0.170 4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.670 0.395 7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.962 1.781 6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.164 -1.769 7.126 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.195 2.327 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.538 -2.386 6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.569 1.717 6.462 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.079 0.086 6.749 1.00 0.00 H new ATOM 1213 N PHE A 76 0.168 1.948 5.153 1.00 0.00 N ATOM 1214 CA PHE A 76 1.359 2.780 5.050 1.00 0.00 C ATOM 1215 C PHE A 76 1.026 4.122 4.405 1.00 0.00 C ATOM 1216 O PHE A 76 0.477 4.183 3.303 1.00 0.00 O ATOM 1217 CB PHE A 76 2.473 2.051 4.286 1.00 0.00 C ATOM 1218 CG PHE A 76 2.066 1.509 2.945 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.879 2.352 1.862 1.00 0.00 C ATOM 1220 CD2 PHE A 76 1.876 0.146 2.769 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.511 1.848 0.629 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.507 -0.363 1.540 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.326 0.488 0.468 1.00 0.00 C ATOM 0 H PHE A 76 -0.643 2.312 4.653 1.00 0.00 H new ATOM 0 HA PHE A 76 1.727 2.977 6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.308 2.737 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.837 1.227 4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.022 3.416 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.018 -0.525 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.368 2.516 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.360 -1.426 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.040 0.091 -0.495 1.00 0.00 H new ATOM 1233 N TYR A 77 1.345 5.198 5.118 1.00 0.00 N ATOM 1234 CA TYR A 77 1.075 6.549 4.643 1.00 0.00 C ATOM 1235 C TYR A 77 2.239 7.065 3.803 1.00 0.00 C ATOM 1236 O TYR A 77 3.387 7.058 4.246 1.00 0.00 O ATOM 1237 CB TYR A 77 0.835 7.479 5.836 1.00 0.00 C ATOM 1238 CG TYR A 77 0.381 8.869 5.455 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.807 9.067 4.762 1.00 0.00 C ATOM 1240 CD2 TYR A 77 1.137 9.985 5.797 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -1.228 10.338 4.419 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.720 11.258 5.456 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.462 11.429 4.769 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.882 12.695 4.432 1.00 0.00 O ATOM 0 H TYR A 77 1.794 5.158 6.033 1.00 0.00 H new ATOM 0 HA TYR A 77 0.182 6.528 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.086 7.030 6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.756 7.555 6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.411 8.215 4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.063 9.855 6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.153 10.476 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.318 12.115 5.727 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.230 13.352 4.753 1.00 0.00 H new ATOM 1254 N LEU A 78 1.937 7.503 2.585 1.00 0.00 N ATOM 1255 CA LEU A 78 2.964 8.013 1.684 1.00 0.00 C ATOM 1256 C LEU A 78 2.648 9.435 1.236 1.00 0.00 C ATOM 1257 O LEU A 78 1.524 9.737 0.836 1.00 0.00 O ATOM 1258 CB LEU A 78 3.095 7.101 0.464 1.00 0.00 C ATOM 1259 CG LEU A 78 3.460 5.650 0.781 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.542 4.831 -0.498 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.773 5.583 1.548 1.00 0.00 C ATOM 0 H LEU A 78 0.992 7.515 2.200 1.00 0.00 H new ATOM 0 HA LEU A 78 3.909 8.028 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.152 7.112 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.854 7.514 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 78 2.677 5.227 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.803 3.801 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.577 4.851 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.305 5.253 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.015 4.543 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.568 6.024 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.677 6.135 2.483 1.00 0.00 H new ATOM 1273 N GLY A 79 3.652 10.305 1.304 1.00 0.00 N ATOM 1274 CA GLY A 79 3.467 11.688 0.899 1.00 0.00 C ATOM 1275 C GLY A 79 2.304 12.356 1.605 1.00 0.00 C ATOM 1276 O GLY A 79 2.431 12.788 2.751 1.00 0.00 O ATOM 0 H GLY A 79 4.590 10.077 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.380 12.247 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.304 11.728 -0.178 1.00 0.00 H new ATOM 1280 N GLN A 80 1.169 12.444 0.920 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.020 13.066 1.487 1.00 0.00 C ATOM 1282 C GLN A 80 -1.256 12.203 1.248 1.00 0.00 C ATOM 1283 O GLN A 80 -2.380 12.704 1.238 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.238 14.461 0.888 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.471 14.459 -0.619 1.00 0.00 C ATOM 1286 CD GLN A 80 0.757 14.077 -1.440 1.00 0.00 C ATOM 1287 OE1 GLN A 80 1.944 14.141 -0.841 1.00 0.00 O flip ATOM 1288 NE2 GLN A 80 0.637 13.757 -2.623 1.00 0.00 N flip ATOM 0 H GLN A 80 1.048 12.092 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 80 0.136 13.161 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.094 14.926 1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.631 15.081 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.279 13.765 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.805 15.450 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.289 13.718 -3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.463 13.530 -3.176 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.040 10.905 1.052 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.140 9.977 0.811 1.00 0.00 C ATOM 1299 C VAL A 81 -1.906 8.652 1.530 1.00 0.00 C ATOM 1300 O VAL A 81 -0.797 8.118 1.525 1.00 0.00 O ATOM 1301 CB VAL A 81 -2.325 9.710 -0.695 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -3.524 8.804 -0.942 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -2.471 11.020 -1.455 1.00 0.00 C ATOM 0 H VAL A 81 -0.116 10.473 1.055 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.044 10.443 1.203 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.436 9.198 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.634 8.630 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.372 7.852 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.426 9.281 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.601 10.812 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.340 11.562 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.577 11.626 -1.311 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.961 8.126 2.145 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.875 6.863 2.867 1.00 0.00 C ATOM 1315 C ALA A 82 -3.207 5.686 1.955 1.00 0.00 C ATOM 1316 O ALA A 82 -4.238 5.681 1.283 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.805 6.881 4.071 1.00 0.00 C ATOM 0 H ALA A 82 -3.886 8.556 2.157 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.850 6.739 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.731 5.932 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.520 7.694 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.831 7.031 3.736 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.326 4.692 1.939 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.522 3.507 1.110 1.00 0.00 C ATOM 1325 C ILE A 83 -2.610 2.256 1.978 1.00 0.00 C ATOM 1326 O ILE A 83 -1.836 2.093 2.922 1.00 0.00 O ATOM 1327 CB ILE A 83 -1.368 3.351 0.095 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -1.299 4.577 -0.813 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.531 2.081 -0.733 1.00 0.00 C ATOM 1330 CD1 ILE A 83 -0.145 4.542 -1.793 1.00 0.00 C ATOM 0 H ILE A 83 -1.468 4.683 2.491 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.458 3.631 0.565 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.434 3.269 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.233 4.661 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.214 5.471 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.704 1.998 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.533 1.214 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.473 2.122 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.159 5.444 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.796 4.490 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.240 3.667 -2.436 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.547 1.369 1.656 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.704 0.134 2.424 1.00 0.00 C ATOM 1344 C LEU A 84 -3.877 -1.073 1.510 1.00 0.00 C ATOM 1345 O LEU A 84 -4.884 -1.205 0.815 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.889 0.224 3.394 1.00 0.00 C ATOM 1347 CG LEU A 84 -6.242 0.544 2.759 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -7.367 -0.169 3.504 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.479 2.046 2.751 1.00 0.00 C ATOM 0 H LEU A 84 -4.201 1.477 0.881 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.789 0.004 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.973 -0.724 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.668 0.988 4.139 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.233 0.187 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.322 0.071 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.204 -1.246 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.379 0.158 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.446 2.259 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.469 2.421 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.692 2.535 2.177 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.892 -1.961 1.535 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.934 -3.173 0.731 1.00 0.00 C ATOM 1363 C LEU A 85 -3.390 -4.340 1.589 1.00 0.00 C ATOM 1364 O LEU A 85 -3.016 -4.441 2.756 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.558 -3.470 0.130 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.455 -4.791 -0.636 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.487 -4.843 -1.753 1.00 0.00 C ATOM 1368 CD2 LEU A 85 -0.051 -4.972 -1.193 1.00 0.00 C ATOM 0 H LEU A 85 -2.052 -1.863 2.106 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.641 -3.027 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.289 -2.656 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.821 -3.476 0.933 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.659 -5.609 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.398 -5.789 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.487 -4.758 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.315 -4.019 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.006 -5.916 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.181 -4.150 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.667 -4.980 -0.373 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.207 -5.219 1.023 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.695 -6.359 1.779 1.00 0.00 C ATOM 1382 C PHE A 86 -5.108 -7.502 0.865 1.00 0.00 C ATOM 1383 O PHE A 86 -5.716 -7.297 -0.184 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.863 -5.939 2.672 1.00 0.00 C ATOM 1385 CG PHE A 86 -7.098 -5.526 1.920 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -7.866 -6.462 1.246 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.495 -4.198 1.896 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -9.005 -6.083 0.562 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.631 -3.812 1.213 1.00 0.00 C ATOM 1390 CZ PHE A 86 -9.389 -4.755 0.545 1.00 0.00 C ATOM 0 H PHE A 86 -4.540 -5.165 0.060 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.879 -6.718 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.115 -6.767 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.543 -5.111 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.571 -7.501 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.909 -3.456 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -9.595 -6.823 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.927 -2.773 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.279 -4.455 0.011 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.775 -8.710 1.293 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.107 -9.911 0.546 1.00 0.00 C ATOM 1402 C LYS A 87 -6.417 -10.483 1.064 1.00 0.00 C ATOM 1403 O LYS A 87 -6.782 -10.257 2.214 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.970 -10.934 0.679 1.00 0.00 C ATOM 1405 CG LYS A 87 -4.243 -12.284 0.033 1.00 0.00 C ATOM 1406 CD LYS A 87 -5.016 -13.211 0.959 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.161 -14.601 0.359 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.838 -15.241 0.113 1.00 0.00 N ATOM 0 H LYS A 87 -4.270 -8.884 2.162 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.228 -9.669 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.068 -10.512 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.763 -11.090 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.807 -12.138 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.298 -12.752 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.504 -13.279 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.003 -12.792 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.748 -15.227 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.713 -14.536 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.980 -16.223 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.329 -14.713 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.281 -15.235 0.991 1.00 0.00 H new ATOM 1422 N SER A 88 -7.126 -11.216 0.217 1.00 0.00 N ATOM 1423 CA SER A 88 -8.396 -11.807 0.621 1.00 0.00 C ATOM 1424 C SER A 88 -8.417 -13.301 0.320 1.00 0.00 C ATOM 1425 O SER A 88 -7.798 -13.760 -0.639 1.00 0.00 O ATOM 1426 CB SER A 88 -9.555 -11.116 -0.095 1.00 0.00 C ATOM 1427 OG SER A 88 -9.440 -9.705 -0.017 1.00 0.00 O ATOM 0 H SER A 88 -6.848 -11.415 -0.744 1.00 0.00 H new ATOM 0 HA SER A 88 -8.508 -11.667 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.575 -11.424 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.499 -11.431 0.349 1.00 0.00 H new ATOM 0 HG SER A 88 -10.194 -9.289 -0.485 1.00 0.00 H new ATOM 1433 N GLY A 89 -9.132 -14.056 1.148 1.00 0.00 N ATOM 1434 CA GLY A 89 -9.221 -15.492 0.954 1.00 0.00 C ATOM 1435 C GLY A 89 -10.628 -16.018 1.155 1.00 0.00 C ATOM 1436 O GLY A 89 -11.468 -15.828 0.251 1.00 0.00 O ATOM 1437 OXT GLY A 89 -10.891 -16.621 2.218 1.00 0.00 O ATOM 0 H GLY A 89 -9.651 -13.699 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.884 -15.741 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.547 -15.992 1.649 1.00 0.00 H new TER 1441 GLY A 89