USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 108 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 3 THR OG1 : rot 180:sc= -0.0504 USER MOD Set 1.2: A 5 SER OG : rot 95:sc= 0.238 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -3.48! (180deg=-4.34!) USER MOD Single : A 2 GLN : amide:sc= 0.00757 X(o=0.0076,f=-0.23) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 0.625 (180deg=0.392) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 19 GLN : amide:sc= -6.26! C(o=-6.3!,f=-9.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.537 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc=-0.00246 (180deg=-0.211) USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= -0.0243 (180deg=-0.289) USER MOD Single : A 30 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.9!) USER MOD Single : A 31 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00295 X(o=-0.0029,f=-0.025) USER MOD Single : A 41 THR OG1 : rot -130:sc= -2.65! USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= -0.441 (180deg=-0.458) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.03 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.951 F(o=-5!,f=-0.95) USER MOD Single : A 63 TYR OH : rot 180:sc= 0.507 USER MOD Single : A 65 THR OG1 : rot 28:sc= -2.31! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.090 9.827 2.919 1.00 0.00 N ATOM 2 CA MET A 1 -0.435 11.116 2.611 1.00 0.00 C ATOM 3 C MET A 1 1.090 11.100 2.447 1.00 0.00 C ATOM 4 O MET A 1 1.841 10.670 3.322 1.00 0.00 O ATOM 5 CB MET A 1 -0.877 12.196 3.608 1.00 0.00 C ATOM 6 CG MET A 1 -0.588 11.770 5.047 1.00 0.00 C ATOM 7 SD MET A 1 -0.967 13.040 6.301 1.00 0.00 S ATOM 8 CE MET A 1 -0.452 12.091 7.716 1.00 0.00 C ATOM 0 H1 MET A 1 -2.121 9.934 2.838 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.763 9.103 2.248 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.847 9.537 3.888 1.00 0.00 H new ATOM 0 HA MET A 1 -0.787 11.355 1.607 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.358 13.130 3.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.943 12.389 3.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.166 10.873 5.270 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.465 11.500 5.128 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.596 12.680 8.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.046 11.179 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.602 11.831 7.616 1.00 0.00 H new ATOM 9 N GLN A 2 1.428 11.425 1.203 1.00 0.00 N ATOM 10 CA GLN A 2 2.775 11.589 0.615 1.00 0.00 C ATOM 11 C GLN A 2 3.690 10.358 0.569 1.00 0.00 C ATOM 12 O GLN A 2 4.274 10.044 -0.468 1.00 0.00 O ATOM 13 CB GLN A 2 3.496 12.800 1.236 1.00 0.00 C ATOM 14 CG GLN A 2 4.595 13.336 0.306 1.00 0.00 C ATOM 15 CD GLN A 2 4.011 13.804 -1.038 1.00 0.00 C ATOM 16 OE1 GLN A 2 3.318 14.815 -1.131 1.00 0.00 O ATOM 17 NE2 GLN A 2 4.198 13.016 -2.072 1.00 0.00 N ATOM 0 H GLN A 2 0.704 11.599 0.506 1.00 0.00 H new ATOM 0 HA GLN A 2 2.565 11.763 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.773 13.590 1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.934 12.513 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.111 14.166 0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.338 12.558 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.776 12.181 -1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.765 13.239 -2.968 1.00 0.00 H new ATOM 19 N THR A 3 3.727 9.651 1.686 1.00 0.00 N ATOM 20 CA THR A 3 4.560 8.456 1.907 1.00 0.00 C ATOM 21 C THR A 3 3.809 7.163 1.609 1.00 0.00 C ATOM 22 O THR A 3 2.634 7.014 1.950 1.00 0.00 O ATOM 23 CB THR A 3 5.165 8.444 3.329 1.00 0.00 C ATOM 24 OG1 THR A 3 5.863 7.224 3.596 1.00 0.00 O ATOM 25 CG2 THR A 3 4.151 8.740 4.443 1.00 0.00 C ATOM 0 H THR A 3 3.162 9.893 2.500 1.00 0.00 H new ATOM 0 HA THR A 3 5.384 8.511 1.196 1.00 0.00 H new ATOM 0 HB THR A 3 5.878 9.268 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.234 7.251 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.654 8.713 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.717 9.728 4.287 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.361 7.990 4.424 1.00 0.00 H new ATOM 28 N LEU A 4 4.624 6.180 1.234 1.00 0.00 N ATOM 29 CA LEU A 4 4.184 4.841 0.823 1.00 0.00 C ATOM 30 C LEU A 4 3.169 4.145 1.732 1.00 0.00 C ATOM 31 O LEU A 4 2.044 3.889 1.314 1.00 0.00 O ATOM 32 CB LEU A 4 5.327 3.874 0.424 1.00 0.00 C ATOM 33 CG LEU A 4 6.675 3.847 1.166 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.526 5.096 0.915 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.560 3.524 2.657 1.00 0.00 C ATOM 0 H LEU A 4 5.637 6.292 1.205 1.00 0.00 H new ATOM 0 HA LEU A 4 3.633 5.087 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.918 2.865 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.551 4.069 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 4 7.209 3.007 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.463 5.015 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.738 5.184 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.983 5.980 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.553 3.524 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.940 4.276 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.105 2.541 2.782 1.00 0.00 H new ATOM 37 N SER A 5 3.459 4.244 3.026 1.00 0.00 N ATOM 38 CA SER A 5 2.682 3.573 4.086 1.00 0.00 C ATOM 39 C SER A 5 1.256 4.097 4.177 1.00 0.00 C ATOM 40 O SER A 5 0.328 3.455 3.676 1.00 0.00 O ATOM 41 CB SER A 5 3.439 3.776 5.404 1.00 0.00 C ATOM 42 OG SER A 5 3.849 5.148 5.540 1.00 0.00 O ATOM 0 H SER A 5 4.242 4.793 3.380 1.00 0.00 H new ATOM 0 HA SER A 5 2.587 2.512 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.803 3.495 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.312 3.124 5.434 1.00 0.00 H new ATOM 0 HG SER A 5 3.184 5.637 6.067 1.00 0.00 H new ATOM 45 N GLU A 6 1.221 5.405 4.348 1.00 0.00 N ATOM 46 CA GLU A 6 0.023 6.262 4.436 1.00 0.00 C ATOM 47 C GLU A 6 -0.840 6.184 3.167 1.00 0.00 C ATOM 48 O GLU A 6 -1.989 5.743 3.236 1.00 0.00 O ATOM 49 CB GLU A 6 0.575 7.669 4.591 1.00 0.00 C ATOM 50 CG GLU A 6 0.309 8.236 5.998 1.00 0.00 C ATOM 51 CD GLU A 6 1.040 7.460 7.101 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.290 7.401 7.034 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.332 6.926 7.973 1.00 0.00 O ATOM 0 H GLU A 6 2.080 5.947 4.437 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.621 5.953 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.648 7.662 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.122 8.321 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.620 9.280 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.763 8.216 6.196 1.00 0.00 H new ATOM 55 N ARG A 7 -0.183 6.438 2.040 1.00 0.00 N ATOM 56 CA ARG A 7 -0.824 6.484 0.728 1.00 0.00 C ATOM 57 C ARG A 7 -1.589 5.190 0.413 1.00 0.00 C ATOM 58 O ARG A 7 -2.822 5.189 0.336 1.00 0.00 O ATOM 59 CB ARG A 7 0.226 6.792 -0.344 1.00 0.00 C ATOM 60 CG ARG A 7 0.654 8.267 -0.413 1.00 0.00 C ATOM 61 CD ARG A 7 -0.492 9.149 -0.914 1.00 0.00 C ATOM 62 NE ARG A 7 0.003 10.462 -1.348 1.00 0.00 N ATOM 63 CZ ARG A 7 -0.631 11.634 -1.213 1.00 0.00 C ATOM 64 NH1 ARG A 7 -1.825 11.719 -0.664 1.00 0.00 N ATOM 65 NH2 ARG A 7 -0.042 12.745 -1.652 1.00 0.00 N ATOM 0 H ARG A 7 0.820 6.620 2.010 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.566 7.282 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.108 6.179 -0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.168 6.495 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.972 8.604 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.513 8.369 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.999 8.656 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.229 9.278 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 7 0.919 10.483 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.293 10.877 -0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.282 12.627 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.880 12.696 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.513 13.644 -1.556 1.00 0.00 H new ATOM 68 N LEU A 8 -0.869 4.072 0.508 1.00 0.00 N ATOM 69 CA LEU A 8 -1.462 2.739 0.311 1.00 0.00 C ATOM 70 C LEU A 8 -2.475 2.328 1.395 1.00 0.00 C ATOM 71 O LEU A 8 -3.616 1.975 1.072 1.00 0.00 O ATOM 72 CB LEU A 8 -0.329 1.708 0.159 1.00 0.00 C ATOM 73 CG LEU A 8 -0.863 0.339 -0.286 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.661 0.397 -1.599 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.311 -0.632 -0.434 1.00 0.00 C ATOM 0 H LEU A 8 0.129 4.058 0.720 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.056 2.778 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.397 2.070 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.197 1.603 1.108 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.556 -0.004 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.010 -0.603 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.518 1.059 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.022 0.776 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.061 -1.607 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.007 -0.250 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.823 -0.732 0.523 1.00 0.00 H new ATOM 77 N LYS A 9 -2.085 2.464 2.668 1.00 0.00 N ATOM 78 CA LYS A 9 -2.922 2.099 3.829 1.00 0.00 C ATOM 79 C LYS A 9 -4.336 2.709 3.812 1.00 0.00 C ATOM 80 O LYS A 9 -5.329 1.988 3.777 1.00 0.00 O ATOM 81 CB LYS A 9 -2.145 2.505 5.094 1.00 0.00 C ATOM 82 CG LYS A 9 -2.862 2.242 6.424 1.00 0.00 C ATOM 83 CD LYS A 9 -1.977 2.625 7.614 1.00 0.00 C ATOM 84 CE LYS A 9 -1.644 4.126 7.661 1.00 0.00 C ATOM 85 NZ LYS A 9 -0.891 4.390 8.890 1.00 0.00 N ATOM 0 H LYS A 9 -1.171 2.834 2.929 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.104 1.025 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.195 1.971 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.913 3.568 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.790 2.812 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.132 1.188 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.480 2.341 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.049 2.055 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.059 4.413 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.558 4.719 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.372 5.286 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.549 4.456 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.217 3.616 9.058 1.00 0.00 H new ATOM 90 N LYS A 10 -4.395 4.027 3.731 1.00 0.00 N ATOM 91 CA LYS A 10 -5.660 4.774 3.741 1.00 0.00 C ATOM 92 C LYS A 10 -6.604 4.489 2.567 1.00 0.00 C ATOM 93 O LYS A 10 -7.829 4.463 2.720 1.00 0.00 O ATOM 94 CB LYS A 10 -5.372 6.268 3.832 1.00 0.00 C ATOM 95 CG LYS A 10 -4.821 6.652 5.206 1.00 0.00 C ATOM 96 CD LYS A 10 -5.940 6.513 6.232 1.00 0.00 C ATOM 97 CE LYS A 10 -5.394 6.539 7.651 1.00 0.00 C ATOM 98 NZ LYS A 10 -6.588 6.429 8.491 1.00 0.00 N ATOM 0 H LYS A 10 -3.568 4.620 3.656 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.197 4.421 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.655 6.549 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.286 6.828 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.982 6.009 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.446 7.675 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.659 7.322 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.477 5.580 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.704 5.714 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.848 7.461 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.310 6.439 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.222 7.231 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.082 5.539 8.277 1.00 0.00 H new ATOM 103 N ARG A 11 -6.005 4.182 1.417 1.00 0.00 N ATOM 104 CA ARG A 11 -6.755 3.808 0.208 1.00 0.00 C ATOM 105 C ARG A 11 -7.442 2.438 0.337 1.00 0.00 C ATOM 106 O ARG A 11 -8.645 2.347 0.114 1.00 0.00 O ATOM 107 CB ARG A 11 -5.771 3.850 -0.968 1.00 0.00 C ATOM 108 CG ARG A 11 -6.428 3.618 -2.338 1.00 0.00 C ATOM 109 CD ARG A 11 -7.340 4.755 -2.770 1.00 0.00 C ATOM 110 NE ARG A 11 -7.953 4.371 -4.059 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.508 5.201 -4.951 1.00 0.00 C ATOM 112 NH1 ARG A 11 -8.591 6.505 -4.744 1.00 0.00 N ATOM 113 NH2 ARG A 11 -8.996 4.699 -6.075 1.00 0.00 N ATOM 0 H ARG A 11 -4.993 4.184 1.292 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.571 4.513 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.270 4.818 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.001 3.094 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.649 3.482 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.004 2.693 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.109 4.935 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.774 5.681 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.953 3.378 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.225 6.909 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.021 7.107 -5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.945 3.695 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.423 5.316 -6.766 1.00 0.00 H new ATOM 116 N ARG A 12 -6.702 1.461 0.862 1.00 0.00 N ATOM 117 CA ARG A 12 -7.219 0.122 1.208 1.00 0.00 C ATOM 118 C ARG A 12 -8.516 0.207 2.031 1.00 0.00 C ATOM 119 O ARG A 12 -9.547 -0.340 1.636 1.00 0.00 O ATOM 120 CB ARG A 12 -6.106 -0.580 1.994 1.00 0.00 C ATOM 121 CG ARG A 12 -6.287 -2.094 2.091 1.00 0.00 C ATOM 122 CD ARG A 12 -5.224 -2.732 2.989 1.00 0.00 C ATOM 123 NE ARG A 12 -3.886 -2.557 2.418 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.897 -1.832 2.936 1.00 0.00 C ATOM 125 NH1 ARG A 12 -2.980 -1.245 4.126 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.754 -1.712 2.279 1.00 0.00 N ATOM 0 H ARG A 12 -5.709 1.572 1.065 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.477 -0.436 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.148 -0.367 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.064 -0.162 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.279 -2.318 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.233 -2.532 1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.262 -2.282 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.436 -3.794 3.112 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.694 -3.037 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.829 -1.341 4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.195 -0.699 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.633 -2.174 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.995 -1.157 2.674 1.00 0.00 H new ATOM 129 N ILE A 13 -8.515 1.140 2.984 1.00 0.00 N ATOM 130 CA ILE A 13 -9.667 1.443 3.860 1.00 0.00 C ATOM 131 C ILE A 13 -10.846 2.021 3.047 1.00 0.00 C ATOM 132 O ILE A 13 -11.978 1.565 3.192 1.00 0.00 O ATOM 133 CB ILE A 13 -9.253 2.414 4.976 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.058 1.861 5.770 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.429 2.673 5.945 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.334 2.901 6.644 1.00 0.00 C ATOM 0 H ILE A 13 -7.701 1.723 3.179 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.999 0.510 4.317 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.965 3.352 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.407 1.049 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.341 1.431 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.111 3.363 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.265 3.107 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.742 1.732 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.506 2.423 7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.950 3.703 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.033 3.315 7.371 1.00 0.00 H new ATOM 138 N ALA A 14 -10.569 3.058 2.259 1.00 0.00 N ATOM 139 CA ALA A 14 -11.556 3.716 1.387 1.00 0.00 C ATOM 140 C ALA A 14 -12.223 2.769 0.358 1.00 0.00 C ATOM 141 O ALA A 14 -13.373 2.974 -0.009 1.00 0.00 O ATOM 142 CB ALA A 14 -10.900 4.903 0.687 1.00 0.00 C ATOM 0 H ALA A 14 -9.640 3.476 2.203 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.368 4.056 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.629 5.392 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.542 5.613 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.060 4.553 0.087 1.00 0.00 H new ATOM 144 N LEU A 15 -11.495 1.732 -0.049 1.00 0.00 N ATOM 145 CA LEU A 15 -12.039 0.654 -0.894 1.00 0.00 C ATOM 146 C LEU A 15 -12.551 -0.589 -0.137 1.00 0.00 C ATOM 147 O LEU A 15 -12.935 -1.578 -0.755 1.00 0.00 O ATOM 148 CB LEU A 15 -11.006 0.277 -1.963 1.00 0.00 C ATOM 149 CG LEU A 15 -10.993 1.324 -3.079 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.728 1.198 -3.926 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.244 1.230 -3.965 1.00 0.00 C ATOM 0 H LEU A 15 -10.512 1.609 0.193 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.938 1.059 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.016 0.203 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.242 -0.703 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.999 2.304 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.740 1.952 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.852 1.346 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.688 0.206 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.196 1.990 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.292 0.242 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.134 1.391 -3.356 1.00 0.00 H new ATOM 153 N LYS A 16 -12.691 -0.434 1.179 1.00 0.00 N ATOM 154 CA LYS A 16 -13.180 -1.460 2.137 1.00 0.00 C ATOM 155 C LYS A 16 -12.470 -2.825 2.028 1.00 0.00 C ATOM 156 O LYS A 16 -13.016 -3.890 2.326 1.00 0.00 O ATOM 157 CB LYS A 16 -14.699 -1.654 2.006 1.00 0.00 C ATOM 158 CG LYS A 16 -15.495 -0.355 2.154 1.00 0.00 C ATOM 159 CD LYS A 16 -15.340 0.318 3.514 1.00 0.00 C ATOM 160 CE LYS A 16 -15.713 1.777 3.303 1.00 0.00 C ATOM 161 NZ LYS A 16 -15.721 2.482 4.593 1.00 0.00 N ATOM 0 H LYS A 16 -12.460 0.446 1.641 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.935 -1.065 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.918 -2.097 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.033 -2.364 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.180 0.342 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.551 -0.567 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.989 -0.147 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.318 0.225 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.002 2.249 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.695 1.847 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.977 3.479 4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.416 2.038 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.776 2.428 5.024 1.00 0.00 H new ATOM 166 N MET A 17 -11.179 -2.732 1.732 1.00 0.00 N ATOM 167 CA MET A 17 -10.328 -3.898 1.530 1.00 0.00 C ATOM 168 C MET A 17 -9.411 -4.133 2.728 1.00 0.00 C ATOM 169 O MET A 17 -8.931 -3.206 3.394 1.00 0.00 O ATOM 170 CB MET A 17 -9.510 -3.686 0.261 1.00 0.00 C ATOM 171 CG MET A 17 -10.333 -3.978 -0.997 1.00 0.00 C ATOM 172 SD MET A 17 -9.414 -3.625 -2.539 1.00 0.00 S ATOM 173 CE MET A 17 -10.637 -4.094 -3.746 1.00 0.00 C ATOM 0 H MET A 17 -10.691 -1.843 1.625 1.00 0.00 H new ATOM 0 HA MET A 17 -10.953 -4.785 1.427 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.148 -2.659 0.229 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.633 -4.333 0.281 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.638 -5.024 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.244 -3.380 -0.977 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.237 -3.940 -4.748 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.893 -5.145 -3.615 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.531 -3.484 -3.615 1.00 0.00 H new ATOM 175 N THR A 18 -9.238 -5.417 3.013 1.00 0.00 N ATOM 176 CA THR A 18 -8.252 -5.884 3.998 1.00 0.00 C ATOM 177 C THR A 18 -6.964 -6.245 3.247 1.00 0.00 C ATOM 178 O THR A 18 -6.952 -6.549 2.056 1.00 0.00 O ATOM 179 CB THR A 18 -8.745 -7.116 4.763 1.00 0.00 C ATOM 180 OG1 THR A 18 -9.098 -8.146 3.839 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.892 -6.768 5.717 1.00 0.00 C ATOM 0 H THR A 18 -9.771 -6.167 2.574 1.00 0.00 H new ATOM 0 HA THR A 18 -8.084 -5.089 4.725 1.00 0.00 H new ATOM 0 HB THR A 18 -7.936 -7.488 5.392 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.411 -8.933 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.215 -7.667 6.241 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.551 -6.028 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.728 -6.360 5.148 1.00 0.00 H new ATOM 184 N GLN A 19 -5.858 -6.146 3.962 1.00 0.00 N ATOM 185 CA GLN A 19 -4.550 -6.489 3.384 1.00 0.00 C ATOM 186 C GLN A 19 -4.398 -7.936 2.904 1.00 0.00 C ATOM 187 O GLN A 19 -3.774 -8.173 1.867 1.00 0.00 O ATOM 188 CB GLN A 19 -3.467 -6.178 4.391 1.00 0.00 C ATOM 189 CG GLN A 19 -2.397 -5.382 3.636 1.00 0.00 C ATOM 190 CD GLN A 19 -1.246 -5.018 4.550 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.644 -5.840 5.222 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.931 -3.740 4.611 1.00 0.00 N ATOM 0 H GLN A 19 -5.827 -5.836 4.933 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.461 -5.880 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.865 -5.601 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.049 -7.094 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.027 -5.969 2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.838 -4.475 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.441 -3.062 4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.177 -3.429 5.224 1.00 0.00 H new ATOM 194 N THR A 20 -4.872 -8.881 3.718 1.00 0.00 N ATOM 195 CA THR A 20 -5.013 -10.294 3.276 1.00 0.00 C ATOM 196 C THR A 20 -5.765 -10.457 1.946 1.00 0.00 C ATOM 197 O THR A 20 -5.295 -11.180 1.061 1.00 0.00 O ATOM 198 CB THR A 20 -5.596 -11.203 4.365 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.811 -12.504 3.817 1.00 0.00 O ATOM 200 CG2 THR A 20 -6.899 -10.679 5.008 1.00 0.00 C ATOM 0 H THR A 20 -5.166 -8.709 4.680 1.00 0.00 H new ATOM 0 HA THR A 20 -3.992 -10.625 3.089 1.00 0.00 H new ATOM 0 HB THR A 20 -4.864 -11.228 5.172 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.182 -13.092 4.507 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.240 -11.384 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.712 -9.710 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.666 -10.572 4.241 1.00 0.00 H new ATOM 203 N GLU A 21 -6.801 -9.637 1.763 1.00 0.00 N ATOM 204 CA GLU A 21 -7.579 -9.582 0.509 1.00 0.00 C ATOM 205 C GLU A 21 -6.674 -9.126 -0.636 1.00 0.00 C ATOM 206 O GLU A 21 -6.436 -9.876 -1.587 1.00 0.00 O ATOM 207 CB GLU A 21 -8.723 -8.585 0.654 1.00 0.00 C ATOM 208 CG GLU A 21 -9.940 -8.960 -0.187 1.00 0.00 C ATOM 209 CD GLU A 21 -11.076 -7.952 0.025 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.315 -7.585 1.198 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.665 -7.551 -1.009 1.00 0.00 O ATOM 0 H GLU A 21 -7.131 -8.988 2.477 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.978 -10.574 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.016 -8.524 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.375 -7.594 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.665 -8.989 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.280 -9.960 0.081 1.00 0.00 H new ATOM 213 N LEU A 22 -5.997 -7.997 -0.409 1.00 0.00 N ATOM 214 CA LEU A 22 -5.056 -7.403 -1.370 1.00 0.00 C ATOM 215 C LEU A 22 -3.911 -8.354 -1.743 1.00 0.00 C ATOM 216 O LEU A 22 -3.657 -8.556 -2.935 1.00 0.00 O ATOM 217 CB LEU A 22 -4.617 -6.064 -0.762 1.00 0.00 C ATOM 218 CG LEU A 22 -3.417 -5.431 -1.465 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.738 -4.984 -2.888 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.934 -4.253 -0.636 1.00 0.00 C ATOM 0 H LEU A 22 -6.086 -7.462 0.455 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.526 -7.222 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.455 -5.368 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.372 -6.216 0.289 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.635 -6.186 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.850 -4.542 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.054 -5.845 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.539 -4.246 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.077 -3.791 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.736 -3.521 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.642 -4.601 0.355 1.00 0.00 H new ATOM 222 N ALA A 23 -3.372 -9.068 -0.755 1.00 0.00 N ATOM 223 CA ALA A 23 -2.401 -10.159 -0.962 1.00 0.00 C ATOM 224 C ALA A 23 -2.872 -11.226 -1.969 1.00 0.00 C ATOM 225 O ALA A 23 -2.314 -11.299 -3.066 1.00 0.00 O ATOM 226 CB ALA A 23 -2.093 -10.781 0.400 1.00 0.00 C ATOM 0 H ALA A 23 -3.596 -8.908 0.227 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.501 -9.735 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.376 -11.592 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.672 -10.022 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.011 -11.172 0.837 1.00 0.00 H new ATOM 228 N THR A 24 -4.034 -11.806 -1.677 1.00 0.00 N ATOM 229 CA THR A 24 -4.738 -12.819 -2.494 1.00 0.00 C ATOM 230 C THR A 24 -4.917 -12.322 -3.947 1.00 0.00 C ATOM 231 O THR A 24 -4.391 -12.915 -4.876 1.00 0.00 O ATOM 232 CB THR A 24 -6.077 -13.121 -1.776 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.824 -13.653 -0.478 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.977 -14.089 -2.561 1.00 0.00 C ATOM 0 H THR A 24 -4.544 -11.578 -0.824 1.00 0.00 H new ATOM 0 HA THR A 24 -4.164 -13.742 -2.580 1.00 0.00 H new ATOM 0 HB THR A 24 -6.612 -12.174 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.660 -12.919 0.150 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.899 -14.260 -2.005 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.214 -13.658 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.457 -15.037 -2.701 1.00 0.00 H new ATOM 237 N LYS A 25 -5.503 -11.131 -4.073 1.00 0.00 N ATOM 238 CA LYS A 25 -5.688 -10.433 -5.365 1.00 0.00 C ATOM 239 C LYS A 25 -4.400 -10.169 -6.165 1.00 0.00 C ATOM 240 O LYS A 25 -4.345 -10.417 -7.364 1.00 0.00 O ATOM 241 CB LYS A 25 -6.403 -9.100 -5.133 1.00 0.00 C ATOM 242 CG LYS A 25 -7.912 -9.189 -5.334 1.00 0.00 C ATOM 243 CD LYS A 25 -8.600 -9.942 -4.196 1.00 0.00 C ATOM 244 CE LYS A 25 -10.110 -10.046 -4.423 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.722 -8.705 -4.353 1.00 0.00 N ATOM 0 H LYS A 25 -5.870 -10.610 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.281 -11.118 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.197 -8.755 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.995 -8.352 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.328 -8.184 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.123 -9.690 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.174 -10.942 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.407 -9.432 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.310 -10.496 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.555 -10.698 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.754 -8.799 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.352 -8.197 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.491 -8.173 -5.216 1.00 0.00 H new ATOM 250 N ALA A 26 -3.394 -9.637 -5.482 1.00 0.00 N ATOM 251 CA ALA A 26 -2.106 -9.253 -6.094 1.00 0.00 C ATOM 252 C ALA A 26 -1.148 -10.428 -6.398 1.00 0.00 C ATOM 253 O ALA A 26 -0.106 -10.235 -7.033 1.00 0.00 O ATOM 254 CB ALA A 26 -1.415 -8.233 -5.182 1.00 0.00 C ATOM 0 H ALA A 26 -3.439 -9.454 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.344 -8.828 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.461 -7.940 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.050 -7.354 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.241 -8.679 -4.203 1.00 0.00 H new ATOM 256 N GLY A 27 -1.507 -11.621 -5.927 1.00 0.00 N ATOM 257 CA GLY A 27 -0.686 -12.852 -6.008 1.00 0.00 C ATOM 258 C GLY A 27 0.519 -12.853 -5.049 1.00 0.00 C ATOM 259 O GLY A 27 1.497 -13.572 -5.275 1.00 0.00 O ATOM 0 H GLY A 27 -2.402 -11.774 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.316 -13.714 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.327 -12.973 -7.030 1.00 0.00 H new ATOM 261 N VAL A 28 0.378 -12.144 -3.934 1.00 0.00 N ATOM 262 CA VAL A 28 1.433 -12.028 -2.901 1.00 0.00 C ATOM 263 C VAL A 28 0.913 -12.393 -1.502 1.00 0.00 C ATOM 264 O VAL A 28 -0.244 -12.788 -1.329 1.00 0.00 O ATOM 265 CB VAL A 28 2.111 -10.641 -2.923 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.097 -10.525 -4.078 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.138 -9.450 -2.893 1.00 0.00 C ATOM 0 H VAL A 28 -0.471 -11.626 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 28 2.201 -12.760 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 28 2.661 -10.579 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.557 -9.537 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.870 -11.287 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.571 -10.668 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.703 -8.518 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.482 -9.494 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.538 -9.493 -1.984 1.00 0.00 H new ATOM 269 N LYS A 29 1.807 -12.278 -0.528 1.00 0.00 N ATOM 270 CA LYS A 29 1.491 -12.495 0.907 1.00 0.00 C ATOM 271 C LYS A 29 1.236 -11.159 1.605 1.00 0.00 C ATOM 272 O LYS A 29 1.797 -10.134 1.225 1.00 0.00 O ATOM 273 CB LYS A 29 2.658 -13.202 1.630 1.00 0.00 C ATOM 274 CG LYS A 29 2.927 -14.619 1.121 1.00 0.00 C ATOM 275 CD LYS A 29 3.899 -14.641 -0.060 1.00 0.00 C ATOM 276 CE LYS A 29 3.776 -15.943 -0.846 1.00 0.00 C ATOM 277 NZ LYS A 29 2.532 -15.900 -1.638 1.00 0.00 N ATOM 0 H LYS A 29 2.782 -12.031 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 29 0.599 -13.120 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.562 -12.605 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.441 -13.244 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.333 -15.223 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.985 -15.079 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.697 -13.795 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.920 -14.526 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.637 -16.072 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.762 -16.795 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.982 -16.766 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.970 -15.072 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.766 -15.832 -2.649 1.00 0.00 H new ATOM 282 N GLN A 30 0.479 -11.223 2.702 1.00 0.00 N ATOM 283 CA GLN A 30 0.195 -10.030 3.508 1.00 0.00 C ATOM 284 C GLN A 30 1.476 -9.309 3.986 1.00 0.00 C ATOM 285 O GLN A 30 1.634 -8.114 3.743 1.00 0.00 O ATOM 286 CB GLN A 30 -0.725 -10.329 4.705 1.00 0.00 C ATOM 287 CG GLN A 30 -1.182 -9.008 5.332 1.00 0.00 C ATOM 288 CD GLN A 30 -2.173 -9.103 6.494 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.384 -9.152 6.309 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.683 -8.979 7.710 1.00 0.00 N ATOM 0 H GLN A 30 0.053 -12.081 3.052 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.335 -9.355 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.589 -10.909 4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.197 -10.932 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.298 -8.474 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.634 -8.399 4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.674 -8.939 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.313 -8.923 8.510 1.00 0.00 H new ATOM 292 N GLN A 31 2.449 -10.100 4.450 1.00 0.00 N ATOM 293 CA GLN A 31 3.745 -9.606 4.974 1.00 0.00 C ATOM 294 C GLN A 31 4.553 -8.769 3.966 1.00 0.00 C ATOM 295 O GLN A 31 5.053 -7.702 4.318 1.00 0.00 O ATOM 296 CB GLN A 31 4.600 -10.763 5.484 1.00 0.00 C ATOM 297 CG GLN A 31 4.094 -11.347 6.812 1.00 0.00 C ATOM 298 CD GLN A 31 2.725 -12.018 6.738 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.337 -12.672 5.776 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.921 -11.772 7.748 1.00 0.00 N ATOM 0 H GLN A 31 2.366 -11.116 4.476 1.00 0.00 H new ATOM 0 HA GLN A 31 3.488 -8.938 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.620 -11.551 4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.626 -10.419 5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.821 -12.075 7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.051 -10.547 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.253 -11.227 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.965 -12.126 7.736 1.00 0.00 H new ATOM 302 N SER A 32 4.508 -9.181 2.706 1.00 0.00 N ATOM 303 CA SER A 32 5.110 -8.466 1.562 1.00 0.00 C ATOM 304 C SER A 32 4.590 -7.030 1.424 1.00 0.00 C ATOM 305 O SER A 32 5.349 -6.107 1.114 1.00 0.00 O ATOM 306 CB SER A 32 4.755 -9.224 0.285 1.00 0.00 C ATOM 307 OG SER A 32 5.410 -10.490 0.246 1.00 0.00 O ATOM 0 H SER A 32 4.041 -10.045 2.432 1.00 0.00 H new ATOM 0 HA SER A 32 6.186 -8.418 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.676 -9.367 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.043 -8.634 -0.585 1.00 0.00 H new ATOM 0 HG SER A 32 5.167 -10.959 -0.580 1.00 0.00 H new ATOM 310 N ILE A 33 3.290 -6.872 1.669 1.00 0.00 N ATOM 311 CA ILE A 33 2.575 -5.588 1.613 1.00 0.00 C ATOM 312 C ILE A 33 2.708 -4.800 2.938 1.00 0.00 C ATOM 313 O ILE A 33 2.771 -3.573 2.921 1.00 0.00 O ATOM 314 CB ILE A 33 1.093 -5.792 1.280 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.940 -6.748 0.096 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.443 -4.434 0.941 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.474 -7.307 -0.016 1.00 0.00 C ATOM 0 H ILE A 33 2.684 -7.653 1.919 1.00 0.00 H new ATOM 0 HA ILE A 33 3.039 -5.004 0.818 1.00 0.00 H new ATOM 0 HB ILE A 33 0.595 -6.225 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.196 -6.225 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.647 -7.571 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.611 -4.584 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.532 -3.765 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.948 -3.993 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.532 -7.980 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.722 -7.854 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.180 -6.487 -0.151 1.00 0.00 H new ATOM 319 N GLN A 34 2.662 -5.501 4.072 1.00 0.00 N ATOM 320 CA GLN A 34 2.936 -4.876 5.389 1.00 0.00 C ATOM 321 C GLN A 34 4.246 -4.094 5.407 1.00 0.00 C ATOM 322 O GLN A 34 4.302 -3.033 6.019 1.00 0.00 O ATOM 323 CB GLN A 34 3.011 -5.836 6.581 1.00 0.00 C ATOM 324 CG GLN A 34 1.762 -6.713 6.646 1.00 0.00 C ATOM 325 CD GLN A 34 1.449 -7.304 8.020 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.735 -8.458 8.318 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.656 -6.597 8.785 1.00 0.00 N ATOM 0 H GLN A 34 2.440 -6.496 4.117 1.00 0.00 H new ATOM 0 HA GLN A 34 2.065 -4.231 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.898 -6.463 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.112 -5.268 7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.906 -6.122 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.875 -7.531 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.423 -5.637 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.271 -7.006 9.637 1.00 0.00 H new ATOM 329 N LEU A 35 5.231 -4.563 4.653 1.00 0.00 N ATOM 330 CA LEU A 35 6.513 -3.855 4.460 1.00 0.00 C ATOM 331 C LEU A 35 6.358 -2.392 3.962 1.00 0.00 C ATOM 332 O LEU A 35 7.072 -1.489 4.415 1.00 0.00 O ATOM 333 CB LEU A 35 7.359 -4.711 3.534 1.00 0.00 C ATOM 334 CG LEU A 35 8.033 -5.822 4.346 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.410 -6.976 3.435 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.249 -5.297 5.124 1.00 0.00 C ATOM 0 H LEU A 35 5.174 -5.449 4.151 1.00 0.00 H new ATOM 0 HA LEU A 35 7.008 -3.733 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.737 -5.144 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.113 -4.097 3.040 1.00 0.00 H new ATOM 0 HG LEU A 35 7.321 -6.186 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.888 -7.761 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.513 -7.373 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.100 -6.624 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.701 -6.113 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.980 -4.891 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.930 -4.514 5.812 1.00 0.00 H new ATOM 338 N ILE A 36 5.358 -2.176 3.123 1.00 0.00 N ATOM 339 CA ILE A 36 4.932 -0.839 2.651 1.00 0.00 C ATOM 340 C ILE A 36 4.231 -0.092 3.804 1.00 0.00 C ATOM 341 O ILE A 36 4.789 0.859 4.343 1.00 0.00 O ATOM 342 CB ILE A 36 4.008 -0.950 1.426 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.521 -1.993 0.418 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.836 0.448 0.793 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.591 -2.307 -0.759 1.00 0.00 C ATOM 0 H ILE A 36 4.797 -2.934 2.733 1.00 0.00 H new ATOM 0 HA ILE A 36 5.812 -0.276 2.341 1.00 0.00 H new ATOM 0 HB ILE A 36 3.029 -1.306 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.474 -1.645 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.720 -2.920 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.182 0.376 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.395 1.126 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.809 0.830 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.057 -3.054 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.644 -2.693 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.410 -1.398 -1.332 1.00 0.00 H new ATOM 347 N GLU A 37 3.159 -0.717 4.305 1.00 0.00 N ATOM 348 CA GLU A 37 2.284 -0.231 5.389 1.00 0.00 C ATOM 349 C GLU A 37 3.049 0.235 6.655 1.00 0.00 C ATOM 350 O GLU A 37 2.728 1.258 7.256 1.00 0.00 O ATOM 351 CB GLU A 37 1.326 -1.366 5.731 1.00 0.00 C ATOM 352 CG GLU A 37 0.262 -0.971 6.772 1.00 0.00 C ATOM 353 CD GLU A 37 -0.388 -2.163 7.489 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.294 -3.202 7.664 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.559 -1.992 7.872 1.00 0.00 O ATOM 0 H GLU A 37 2.859 -1.624 3.949 1.00 0.00 H new ATOM 0 HA GLU A 37 1.759 0.657 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.828 -1.699 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.898 -2.213 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.721 -0.320 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.516 -0.390 6.277 1.00 0.00 H new ATOM 357 N ALA A 38 4.029 -0.584 7.053 1.00 0.00 N ATOM 358 CA ALA A 38 4.939 -0.354 8.199 1.00 0.00 C ATOM 359 C ALA A 38 5.865 0.878 8.062 1.00 0.00 C ATOM 360 O ALA A 38 6.396 1.367 9.048 1.00 0.00 O ATOM 361 CB ALA A 38 5.772 -1.629 8.385 1.00 0.00 C ATOM 0 H ALA A 38 4.224 -1.462 6.572 1.00 0.00 H new ATOM 0 HA ALA A 38 4.321 -0.131 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.457 -1.497 9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.109 -2.470 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.343 -1.826 7.478 1.00 0.00 H new ATOM 363 N GLY A 39 6.044 1.326 6.818 1.00 0.00 N ATOM 364 CA GLY A 39 6.857 2.505 6.460 1.00 0.00 C ATOM 365 C GLY A 39 8.332 2.171 6.160 1.00 0.00 C ATOM 366 O GLY A 39 9.204 2.987 6.448 1.00 0.00 O ATOM 0 H GLY A 39 5.621 0.873 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.418 2.987 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.815 3.226 7.277 1.00 0.00 H new ATOM 368 N VAL A 40 8.568 1.057 5.470 1.00 0.00 N ATOM 369 CA VAL A 40 9.944 0.554 5.270 1.00 0.00 C ATOM 370 C VAL A 40 10.298 0.538 3.774 1.00 0.00 C ATOM 371 O VAL A 40 11.193 1.249 3.312 1.00 0.00 O ATOM 372 CB VAL A 40 10.119 -0.815 5.955 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.544 -1.373 5.799 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.817 -0.736 7.464 1.00 0.00 C ATOM 0 H VAL A 40 7.841 0.485 5.041 1.00 0.00 H new ATOM 0 HA VAL A 40 10.654 1.230 5.746 1.00 0.00 H new ATOM 0 HB VAL A 40 9.411 -1.478 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.613 -2.339 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.773 -1.496 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.257 -0.680 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.951 -1.720 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.497 -0.026 7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.789 -0.406 7.613 1.00 0.00 H new ATOM 376 N THR A 41 9.528 -0.226 3.021 1.00 0.00 N ATOM 377 CA THR A 41 9.813 -0.510 1.597 1.00 0.00 C ATOM 378 C THR A 41 9.392 0.654 0.688 1.00 0.00 C ATOM 379 O THR A 41 8.241 0.799 0.302 1.00 0.00 O ATOM 380 CB THR A 41 9.132 -1.816 1.174 1.00 0.00 C ATOM 381 OG1 THR A 41 9.372 -2.811 2.171 1.00 0.00 O ATOM 382 CG2 THR A 41 9.730 -2.347 -0.131 1.00 0.00 C ATOM 0 H THR A 41 8.680 -0.676 3.367 1.00 0.00 H new ATOM 0 HA THR A 41 10.891 -0.626 1.485 1.00 0.00 H new ATOM 0 HB THR A 41 8.069 -1.613 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.701 -3.629 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.230 -3.274 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.592 -1.609 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.794 -2.536 0.007 1.00 0.00 H new ATOM 385 N LYS A 42 10.391 1.487 0.437 1.00 0.00 N ATOM 386 CA LYS A 42 10.285 2.638 -0.489 1.00 0.00 C ATOM 387 C LYS A 42 9.872 2.259 -1.916 1.00 0.00 C ATOM 388 O LYS A 42 9.058 2.947 -2.539 1.00 0.00 O ATOM 389 CB LYS A 42 11.641 3.366 -0.459 1.00 0.00 C ATOM 390 CG LYS A 42 11.559 4.719 -1.156 1.00 0.00 C ATOM 391 CD LYS A 42 12.881 5.476 -1.052 1.00 0.00 C ATOM 392 CE LYS A 42 12.803 6.805 -1.801 1.00 0.00 C ATOM 393 NZ LYS A 42 12.732 6.549 -3.246 1.00 0.00 N ATOM 0 H LYS A 42 11.311 1.395 0.867 1.00 0.00 H new ATOM 0 HA LYS A 42 9.479 3.289 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.958 3.506 0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.398 2.750 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.301 4.575 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.761 5.313 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.121 5.657 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.687 4.868 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.927 7.367 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.676 7.416 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.662 7.453 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.589 6.045 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.895 5.968 -3.455 1.00 0.00 H new ATOM 398 N ARG A 43 10.518 1.231 -2.459 1.00 0.00 N ATOM 399 CA ARG A 43 10.231 0.711 -3.806 1.00 0.00 C ATOM 400 C ARG A 43 9.950 -0.800 -3.785 1.00 0.00 C ATOM 401 O ARG A 43 10.872 -1.607 -3.790 1.00 0.00 O ATOM 402 CB ARG A 43 11.394 0.988 -4.760 1.00 0.00 C ATOM 403 CG ARG A 43 11.614 2.482 -4.942 1.00 0.00 C ATOM 404 CD ARG A 43 12.787 2.625 -5.896 1.00 0.00 C ATOM 405 NE ARG A 43 13.065 4.054 -6.051 1.00 0.00 N ATOM 406 CZ ARG A 43 14.274 4.598 -6.063 1.00 0.00 C ATOM 407 NH1 ARG A 43 15.370 3.837 -6.023 1.00 0.00 N ATOM 408 NH2 ARG A 43 14.396 5.904 -6.183 1.00 0.00 N ATOM 0 H ARG A 43 11.263 0.727 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 43 9.339 1.229 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.303 0.529 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.192 0.527 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.722 2.960 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.828 2.963 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.662 2.106 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.552 2.174 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 43 12.267 4.680 -6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.284 2.821 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.293 4.271 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.564 6.488 -6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.322 6.331 -6.193 1.00 0.00 H new ATOM 411 N PRO A 44 8.675 -1.164 -3.587 1.00 0.00 N ATOM 412 CA PRO A 44 8.268 -2.568 -3.711 1.00 0.00 C ATOM 413 C PRO A 44 8.201 -3.028 -5.165 1.00 0.00 C ATOM 414 O PRO A 44 7.519 -2.429 -5.988 1.00 0.00 O ATOM 415 CB PRO A 44 6.923 -2.650 -2.990 1.00 0.00 C ATOM 416 CG PRO A 44 6.380 -1.223 -2.970 1.00 0.00 C ATOM 417 CD PRO A 44 7.633 -0.358 -2.909 1.00 0.00 C ATOM 0 HA PRO A 44 8.996 -3.246 -3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.240 -3.322 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.044 -3.038 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.788 -1.008 -3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.734 -1.053 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.481 0.597 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.911 -0.135 -1.879 1.00 0.00 H new ATOM 418 N ARG A 45 8.911 -4.115 -5.462 1.00 0.00 N ATOM 419 CA ARG A 45 8.906 -4.746 -6.802 1.00 0.00 C ATOM 420 C ARG A 45 7.484 -5.076 -7.301 1.00 0.00 C ATOM 421 O ARG A 45 7.058 -4.636 -8.364 1.00 0.00 O ATOM 422 CB ARG A 45 9.738 -6.047 -6.820 1.00 0.00 C ATOM 423 CG ARG A 45 11.266 -5.867 -6.751 1.00 0.00 C ATOM 424 CD ARG A 45 11.817 -5.407 -5.386 1.00 0.00 C ATOM 425 NE ARG A 45 11.417 -6.330 -4.305 1.00 0.00 N ATOM 426 CZ ARG A 45 10.886 -5.961 -3.137 1.00 0.00 C ATOM 427 NH1 ARG A 45 10.909 -4.705 -2.716 1.00 0.00 N ATOM 428 NH2 ARG A 45 10.499 -6.881 -2.267 1.00 0.00 N ATOM 0 H ARG A 45 9.510 -4.591 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 45 9.351 -4.008 -7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.426 -6.667 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.497 -6.598 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.739 -6.813 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.564 -5.141 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.904 -5.348 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.452 -4.404 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 45 11.557 -7.328 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.343 -3.982 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.493 -4.461 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.607 -7.871 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.093 -6.600 -1.374 1.00 0.00 H new ATOM 431 N PHE A 46 6.719 -5.710 -6.409 1.00 0.00 N ATOM 432 CA PHE A 46 5.295 -6.079 -6.591 1.00 0.00 C ATOM 433 C PHE A 46 4.284 -4.920 -6.537 1.00 0.00 C ATOM 434 O PHE A 46 3.066 -5.166 -6.562 1.00 0.00 O ATOM 435 CB PHE A 46 4.897 -7.178 -5.597 1.00 0.00 C ATOM 436 CG PHE A 46 5.632 -7.146 -4.237 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.581 -5.993 -3.419 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.342 -8.294 -3.831 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.235 -5.996 -2.164 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.002 -8.304 -2.579 1.00 0.00 C ATOM 441 CZ PHE A 46 6.938 -7.150 -1.758 1.00 0.00 C ATOM 0 H PHE A 46 7.081 -5.996 -5.499 1.00 0.00 H new ATOM 0 HA PHE A 46 5.239 -6.443 -7.617 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.825 -7.105 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.075 -8.147 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.046 -5.115 -3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.382 -9.162 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.196 -5.126 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.547 -9.178 -2.254 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.438 -7.154 -0.801 1.00 0.00 H new ATOM 443 N LEU A 47 4.756 -3.682 -6.648 1.00 0.00 N ATOM 444 CA LEU A 47 3.897 -2.482 -6.542 1.00 0.00 C ATOM 445 C LEU A 47 2.754 -2.449 -7.566 1.00 0.00 C ATOM 446 O LEU A 47 1.611 -2.220 -7.196 1.00 0.00 O ATOM 447 CB LEU A 47 4.724 -1.172 -6.537 1.00 0.00 C ATOM 448 CG LEU A 47 5.171 -0.582 -7.888 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.712 0.824 -7.696 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.193 -1.446 -8.643 1.00 0.00 C ATOM 0 H LEU A 47 5.740 -3.471 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 47 3.409 -2.556 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.138 -0.412 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.618 -1.346 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 47 4.278 -0.558 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.024 1.228 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.934 1.458 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.567 0.796 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.456 -0.961 -9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.089 -1.566 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.760 -2.425 -8.849 1.00 0.00 H new ATOM 452 N PHE A 48 3.046 -2.956 -8.766 1.00 0.00 N ATOM 453 CA PHE A 48 2.096 -3.076 -9.888 1.00 0.00 C ATOM 454 C PHE A 48 0.883 -3.947 -9.559 1.00 0.00 C ATOM 455 O PHE A 48 -0.269 -3.561 -9.772 1.00 0.00 O ATOM 456 CB PHE A 48 2.857 -3.667 -11.077 1.00 0.00 C ATOM 457 CG PHE A 48 2.060 -3.500 -12.379 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.977 -2.218 -12.977 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.358 -4.606 -12.909 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.166 -2.041 -14.118 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.547 -4.429 -14.050 1.00 0.00 C ATOM 462 CZ PHE A 48 0.465 -3.146 -14.648 1.00 0.00 C ATOM 0 H PHE A 48 3.976 -3.306 -8.996 1.00 0.00 H new ATOM 0 HA PHE A 48 1.702 -2.085 -10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.825 -3.176 -11.174 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.052 -4.725 -10.899 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.528 -1.386 -12.564 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.441 -5.578 -12.445 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.082 -1.069 -14.582 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.005 -5.261 -14.463 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.147 -3.011 -15.528 1.00 0.00 H new ATOM 464 N GLU A 49 1.195 -5.150 -9.064 1.00 0.00 N ATOM 465 CA GLU A 49 0.217 -6.163 -8.614 1.00 0.00 C ATOM 466 C GLU A 49 -0.677 -5.623 -7.506 1.00 0.00 C ATOM 467 O GLU A 49 -1.879 -5.469 -7.709 1.00 0.00 O ATOM 468 CB GLU A 49 0.952 -7.428 -8.142 1.00 0.00 C ATOM 469 CG GLU A 49 1.444 -8.331 -9.275 1.00 0.00 C ATOM 470 CD GLU A 49 2.489 -7.686 -10.199 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.362 -6.948 -9.673 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.354 -7.883 -11.419 1.00 0.00 O ATOM 0 H GLU A 49 2.161 -5.460 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.423 -6.414 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.806 -7.132 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.285 -8.003 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.870 -9.236 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.588 -8.638 -9.875 1.00 0.00 H new ATOM 474 N ILE A 50 -0.032 -5.108 -6.450 1.00 0.00 N ATOM 475 CA ILE A 50 -0.716 -4.487 -5.299 1.00 0.00 C ATOM 476 C ILE A 50 -1.657 -3.365 -5.748 1.00 0.00 C ATOM 477 O ILE A 50 -2.874 -3.459 -5.541 1.00 0.00 O ATOM 478 CB ILE A 50 0.341 -4.066 -4.250 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.030 -5.337 -3.733 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.274 -3.280 -3.091 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.323 -5.083 -2.942 1.00 0.00 C ATOM 0 H ILE A 50 0.985 -5.109 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.373 -5.207 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 50 1.063 -3.401 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.331 -5.881 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.259 -5.982 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.507 -3.007 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.747 -2.376 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.021 -3.896 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.742 -6.034 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.043 -4.568 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.102 -4.466 -2.071 1.00 0.00 H new ATOM 483 N ALA A 51 -1.151 -2.491 -6.615 1.00 0.00 N ATOM 484 CA ALA A 51 -1.904 -1.380 -7.194 1.00 0.00 C ATOM 485 C ALA A 51 -3.156 -1.788 -7.979 1.00 0.00 C ATOM 486 O ALA A 51 -4.243 -1.334 -7.646 1.00 0.00 O ATOM 487 CB ALA A 51 -0.989 -0.537 -8.081 1.00 0.00 C ATOM 0 H ALA A 51 -0.186 -2.536 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.267 -0.801 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.557 0.289 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.167 -0.141 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.589 -1.156 -8.884 1.00 0.00 H new ATOM 489 N MET A 52 -3.007 -2.682 -8.957 1.00 0.00 N ATOM 490 CA MET A 52 -4.145 -3.175 -9.750 1.00 0.00 C ATOM 491 C MET A 52 -5.181 -3.961 -8.937 1.00 0.00 C ATOM 492 O MET A 52 -6.364 -3.649 -8.967 1.00 0.00 O ATOM 493 CB MET A 52 -3.624 -3.962 -10.944 1.00 0.00 C ATOM 494 CG MET A 52 -2.871 -3.028 -11.905 1.00 0.00 C ATOM 495 SD MET A 52 -3.885 -1.649 -12.537 1.00 0.00 S ATOM 496 CE MET A 52 -2.686 -0.338 -12.464 1.00 0.00 C ATOM 0 H MET A 52 -2.108 -3.084 -9.223 1.00 0.00 H new ATOM 0 HA MET A 52 -4.696 -2.305 -10.106 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.961 -4.757 -10.604 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.454 -4.440 -11.465 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.999 -2.621 -11.393 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.501 -3.611 -12.748 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.138 0.589 -12.817 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.350 -0.209 -11.435 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.833 -0.589 -13.095 1.00 0.00 H new ATOM 498 N ALA A 53 -4.667 -4.772 -8.015 1.00 0.00 N ATOM 499 CA ALA A 53 -5.466 -5.561 -7.051 1.00 0.00 C ATOM 500 C ALA A 53 -6.361 -4.668 -6.163 1.00 0.00 C ATOM 501 O ALA A 53 -7.520 -4.992 -5.892 1.00 0.00 O ATOM 502 CB ALA A 53 -4.491 -6.343 -6.180 1.00 0.00 C ATOM 0 H ALA A 53 -3.662 -4.909 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.133 -6.225 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.047 -6.938 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.891 -7.003 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.836 -5.649 -5.653 1.00 0.00 H new ATOM 504 N LEU A 54 -5.760 -3.573 -5.714 1.00 0.00 N ATOM 505 CA LEU A 54 -6.381 -2.539 -4.871 1.00 0.00 C ATOM 506 C LEU A 54 -7.263 -1.554 -5.666 1.00 0.00 C ATOM 507 O LEU A 54 -8.270 -1.090 -5.158 1.00 0.00 O ATOM 508 CB LEU A 54 -5.211 -1.829 -4.186 1.00 0.00 C ATOM 509 CG LEU A 54 -5.468 -1.198 -2.806 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.270 0.092 -2.899 1.00 0.00 C ATOM 511 CD2 LEU A 54 -6.083 -2.182 -1.806 1.00 0.00 C ATOM 0 H LEU A 54 -4.785 -3.365 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.069 -2.986 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.398 -2.547 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.858 -1.043 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.486 -0.934 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.424 0.497 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.725 0.816 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.236 -0.113 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.241 -1.680 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.038 -2.541 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.408 -3.026 -1.664 1.00 0.00 H new ATOM 513 N ASN A 55 -6.947 -1.405 -6.957 1.00 0.00 N ATOM 514 CA ASN A 55 -7.455 -0.371 -7.889 1.00 0.00 C ATOM 515 C ASN A 55 -6.962 1.042 -7.505 1.00 0.00 C ATOM 516 O ASN A 55 -7.715 1.952 -7.161 1.00 0.00 O ATOM 517 CB ASN A 55 -8.971 -0.436 -8.091 1.00 0.00 C ATOM 518 CG ASN A 55 -9.387 -1.718 -8.842 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.499 -1.757 -10.054 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.661 -2.778 -8.106 1.00 0.00 N ATOM 0 H ASN A 55 -6.291 -2.037 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.025 -0.599 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.470 -0.402 -7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.302 0.439 -8.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.970 -3.642 -8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.564 -2.734 -7.092 1.00 0.00 H new ATOM 522 N CYS A 56 -5.635 1.117 -7.446 1.00 0.00 N ATOM 523 CA CYS A 56 -4.871 2.347 -7.194 1.00 0.00 C ATOM 524 C CYS A 56 -3.627 2.425 -8.104 1.00 0.00 C ATOM 525 O CYS A 56 -3.325 1.505 -8.864 1.00 0.00 O ATOM 526 CB CYS A 56 -4.489 2.489 -5.720 1.00 0.00 C ATOM 527 SG CYS A 56 -3.366 1.201 -5.062 1.00 0.00 S ATOM 0 H CYS A 56 -5.038 0.300 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.520 3.187 -7.440 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.019 3.462 -5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.402 2.487 -5.125 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.121 1.439 -3.808 1.00 0.00 H new ATOM 529 N ASP A 57 -2.883 3.517 -7.963 1.00 0.00 N ATOM 530 CA ASP A 57 -1.723 3.834 -8.817 1.00 0.00 C ATOM 531 C ASP A 57 -0.396 3.348 -8.198 1.00 0.00 C ATOM 532 O ASP A 57 -0.076 3.769 -7.078 1.00 0.00 O ATOM 533 CB ASP A 57 -1.721 5.347 -9.076 1.00 0.00 C ATOM 534 CG ASP A 57 -0.672 5.813 -10.078 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.525 5.626 -9.774 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.078 6.371 -11.123 1.00 0.00 O ATOM 0 H ASP A 57 -3.063 4.221 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.810 3.302 -9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.706 5.643 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.558 5.865 -8.131 1.00 0.00 H new ATOM 538 N PRO A 58 0.456 2.678 -8.992 1.00 0.00 N ATOM 539 CA PRO A 58 1.796 2.196 -8.562 1.00 0.00 C ATOM 540 C PRO A 58 2.707 3.291 -7.982 1.00 0.00 C ATOM 541 O PRO A 58 3.058 3.251 -6.805 1.00 0.00 O ATOM 542 CB PRO A 58 2.421 1.590 -9.822 1.00 0.00 C ATOM 543 CG PRO A 58 1.216 1.126 -10.639 1.00 0.00 C ATOM 544 CD PRO A 58 0.170 2.216 -10.365 1.00 0.00 C ATOM 0 HA PRO A 58 1.685 1.484 -7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.015 2.324 -10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.084 0.759 -9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.453 1.052 -11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.867 0.143 -10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.253 3.033 -11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.843 1.822 -10.447 1.00 0.00 H new ATOM 545 N VAL A 59 2.946 4.341 -8.776 1.00 0.00 N ATOM 546 CA VAL A 59 3.855 5.454 -8.431 1.00 0.00 C ATOM 547 C VAL A 59 3.353 6.209 -7.176 1.00 0.00 C ATOM 548 O VAL A 59 4.114 6.489 -6.261 1.00 0.00 O ATOM 549 CB VAL A 59 3.995 6.379 -9.647 1.00 0.00 C ATOM 550 CG1 VAL A 59 4.995 7.516 -9.433 1.00 0.00 C ATOM 551 CG2 VAL A 59 4.495 5.613 -10.883 1.00 0.00 C ATOM 0 H VAL A 59 2.509 4.448 -9.692 1.00 0.00 H new ATOM 0 HA VAL A 59 4.841 5.062 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 59 2.993 6.783 -9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.044 8.131 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.674 8.129 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.980 7.099 -9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.582 6.299 -11.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.470 5.174 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.788 4.822 -11.131 1.00 0.00 H new ATOM 553 N TRP A 60 2.032 6.366 -7.088 1.00 0.00 N ATOM 554 CA TRP A 60 1.354 6.979 -5.940 1.00 0.00 C ATOM 555 C TRP A 60 1.457 6.193 -4.639 1.00 0.00 C ATOM 556 O TRP A 60 1.818 6.775 -3.614 1.00 0.00 O ATOM 557 CB TRP A 60 -0.104 7.219 -6.319 1.00 0.00 C ATOM 558 CG TRP A 60 -0.901 7.921 -5.227 1.00 0.00 C ATOM 559 CD1 TRP A 60 -0.941 9.225 -4.957 1.00 0.00 C ATOM 560 CD2 TRP A 60 -1.832 7.291 -4.411 1.00 0.00 C ATOM 561 NE1 TRP A 60 -1.849 9.465 -4.014 1.00 0.00 N ATOM 562 CE2 TRP A 60 -2.429 8.322 -3.653 1.00 0.00 C ATOM 563 CE3 TRP A 60 -2.175 5.940 -4.212 1.00 0.00 C ATOM 564 CZ2 TRP A 60 -3.412 8.006 -2.692 1.00 0.00 C ATOM 565 CZ3 TRP A 60 -3.137 5.631 -3.233 1.00 0.00 C ATOM 566 CH2 TRP A 60 -3.758 6.659 -2.480 1.00 0.00 C ATOM 0 H TRP A 60 1.391 6.067 -7.823 1.00 0.00 H new ATOM 0 HA TRP A 60 1.868 7.916 -5.727 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.142 7.818 -7.229 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.576 6.263 -6.546 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.328 9.976 -5.433 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.067 10.383 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.711 5.160 -4.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.894 8.789 -2.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.405 4.600 -3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.502 6.406 -1.739 1.00 0.00 H new ATOM 569 N LEU A 61 1.196 4.884 -4.693 1.00 0.00 N ATOM 570 CA LEU A 61 1.268 4.036 -3.478 1.00 0.00 C ATOM 571 C LEU A 61 2.675 3.994 -2.847 1.00 0.00 C ATOM 572 O LEU A 61 2.818 3.502 -1.731 1.00 0.00 O ATOM 573 CB LEU A 61 0.651 2.641 -3.675 1.00 0.00 C ATOM 574 CG LEU A 61 1.418 1.621 -4.527 1.00 0.00 C ATOM 575 CD1 LEU A 61 2.554 0.937 -3.765 1.00 0.00 C ATOM 576 CD2 LEU A 61 0.443 0.518 -4.936 1.00 0.00 C ATOM 0 H LEU A 61 0.936 4.386 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 61 0.635 4.532 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.498 2.203 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.335 2.773 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 61 1.843 2.163 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.057 0.228 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.268 1.687 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.147 0.408 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.964 -0.221 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.043 0.037 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.375 0.951 -5.513 1.00 0.00 H new ATOM 578 N GLN A 62 3.690 4.361 -3.628 1.00 0.00 N ATOM 579 CA GLN A 62 5.069 4.481 -3.124 1.00 0.00 C ATOM 580 C GLN A 62 5.604 5.913 -2.912 1.00 0.00 C ATOM 581 O GLN A 62 6.317 6.145 -1.931 1.00 0.00 O ATOM 582 CB GLN A 62 5.992 3.603 -3.972 1.00 0.00 C ATOM 583 CG GLN A 62 6.146 4.051 -5.426 1.00 0.00 C ATOM 584 CD GLN A 62 7.412 3.521 -6.113 1.00 0.00 C ATOM 585 OE1 GLN A 62 8.489 3.317 -5.382 1.00 0.00 O flip ATOM 586 NE2 GLN A 62 7.496 3.438 -7.335 1.00 0.00 N flip ATOM 0 H GLN A 62 3.588 4.583 -4.618 1.00 0.00 H new ATOM 0 HA GLN A 62 5.051 4.112 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.978 3.581 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.611 2.582 -3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.274 3.722 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.156 5.140 -5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.671 3.593 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.391 3.214 -7.771 1.00 0.00 H new ATOM 588 N TYR A 63 5.222 6.866 -3.767 1.00 0.00 N ATOM 589 CA TYR A 63 5.762 8.247 -3.757 1.00 0.00 C ATOM 590 C TYR A 63 4.773 9.384 -3.432 1.00 0.00 C ATOM 591 O TYR A 63 5.196 10.529 -3.228 1.00 0.00 O ATOM 592 CB TYR A 63 6.338 8.579 -5.141 1.00 0.00 C ATOM 593 CG TYR A 63 7.534 7.733 -5.574 1.00 0.00 C ATOM 594 CD1 TYR A 63 8.646 7.555 -4.737 1.00 0.00 C ATOM 595 CD2 TYR A 63 7.514 7.257 -6.905 1.00 0.00 C ATOM 596 CE1 TYR A 63 9.789 6.889 -5.241 1.00 0.00 C ATOM 597 CE2 TYR A 63 8.640 6.594 -7.413 1.00 0.00 C ATOM 598 CZ TYR A 63 9.756 6.413 -6.568 1.00 0.00 C ATOM 599 OH TYR A 63 10.828 5.723 -7.056 1.00 0.00 O ATOM 0 H TYR A 63 4.525 6.709 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 63 6.493 8.221 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.547 8.465 -5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.634 9.628 -5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.630 7.921 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.641 7.403 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 63 10.665 6.749 -4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.653 6.229 -8.430 1.00 0.00 H new ATOM 0 HH TYR A 63 10.653 5.461 -7.984 1.00 0.00 H new ATOM 602 N GLY A 64 3.474 9.103 -3.562 1.00 0.00 N ATOM 603 CA GLY A 64 2.405 10.104 -3.439 1.00 0.00 C ATOM 604 C GLY A 64 2.230 11.041 -4.638 1.00 0.00 C ATOM 605 O GLY A 64 2.049 12.241 -4.465 1.00 0.00 O ATOM 0 H GLY A 64 3.128 8.164 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.463 9.583 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.600 10.709 -2.554 1.00 0.00 H new ATOM 607 N THR A 65 2.199 10.463 -5.833 1.00 0.00 N ATOM 608 CA THR A 65 2.105 11.211 -7.105 1.00 0.00 C ATOM 609 C THR A 65 0.998 10.717 -8.050 1.00 0.00 C ATOM 610 O THR A 65 0.479 9.612 -7.917 1.00 0.00 O ATOM 611 CB THR A 65 3.466 11.167 -7.805 1.00 0.00 C ATOM 612 OG1 THR A 65 4.029 9.848 -7.711 1.00 0.00 O ATOM 613 CG2 THR A 65 4.418 12.231 -7.237 1.00 0.00 C ATOM 0 H THR A 65 2.238 9.452 -5.960 1.00 0.00 H new ATOM 0 HA THR A 65 1.827 12.234 -6.852 1.00 0.00 H new ATOM 0 HB THR A 65 3.321 11.399 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.307 9.188 -7.643 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.376 12.175 -7.754 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.985 13.221 -7.381 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.569 12.053 -6.172 1.00 0.00 H new ATOM 616 N LYS A 66 0.548 11.611 -8.924 1.00 0.00 N ATOM 617 CA LYS A 66 -0.469 11.388 -9.990 1.00 0.00 C ATOM 618 C LYS A 66 -1.930 11.348 -9.535 1.00 0.00 C ATOM 619 O LYS A 66 -2.738 12.147 -9.995 1.00 0.00 O ATOM 620 CB LYS A 66 -0.208 10.143 -10.837 1.00 0.00 C ATOM 621 CG LYS A 66 1.111 10.206 -11.589 1.00 0.00 C ATOM 622 CD LYS A 66 1.324 8.886 -12.324 1.00 0.00 C ATOM 623 CE LYS A 66 2.721 8.884 -12.924 1.00 0.00 C ATOM 624 NZ LYS A 66 2.917 7.589 -13.579 1.00 0.00 N ATOM 0 H LYS A 66 0.892 12.571 -8.922 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.337 12.290 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.212 9.264 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.022 10.018 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.102 11.035 -12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.932 10.388 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.206 8.048 -11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.576 8.764 -13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.831 9.697 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.471 9.039 -12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.867 7.554 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.822 6.827 -12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.202 7.465 -14.324 1.00 0.00 H new ATOM 629 N ARG A 67 -2.237 10.397 -8.667 1.00 0.00 N ATOM 630 CA ARG A 67 -3.612 10.085 -8.258 1.00 0.00 C ATOM 631 C ARG A 67 -4.204 11.165 -7.356 1.00 0.00 C ATOM 632 O ARG A 67 -3.659 11.446 -6.285 1.00 0.00 O ATOM 633 CB ARG A 67 -3.595 8.717 -7.556 1.00 0.00 C ATOM 634 CG ARG A 67 -4.976 8.066 -7.532 1.00 0.00 C ATOM 635 CD ARG A 67 -4.810 6.576 -7.243 1.00 0.00 C ATOM 636 NE ARG A 67 -6.000 5.829 -7.670 1.00 0.00 N ATOM 637 CZ ARG A 67 -6.346 5.490 -8.921 1.00 0.00 C ATOM 638 NH1 ARG A 67 -5.897 6.111 -10.001 1.00 0.00 N ATOM 639 NH2 ARG A 67 -7.402 4.711 -9.095 1.00 0.00 N ATOM 0 H ARG A 67 -1.536 9.809 -8.217 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.253 10.050 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.893 8.057 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.234 8.839 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.600 8.532 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.479 8.212 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.930 6.196 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.642 6.424 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.637 5.534 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.251 6.894 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.197 5.806 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.932 4.383 -8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.686 4.439 -10.036 1.00 0.00 H new ATOM 642 N GLY A 68 -5.260 11.805 -7.850 1.00 0.00 N ATOM 643 CA GLY A 68 -6.039 12.831 -7.123 1.00 0.00 C ATOM 644 C GLY A 68 -6.840 12.303 -5.924 1.00 0.00 C ATOM 645 O GLY A 68 -8.031 12.558 -5.794 1.00 0.00 O ATOM 0 H GLY A 68 -5.615 11.628 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.356 13.605 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.728 13.306 -7.821 1.00 0.00 H new ATOM 647 N LYS A 69 -6.134 11.653 -5.004 1.00 0.00 N ATOM 648 CA LYS A 69 -6.718 11.090 -3.776 1.00 0.00 C ATOM 649 C LYS A 69 -5.854 11.485 -2.564 1.00 0.00 C ATOM 650 O LYS A 69 -4.662 11.195 -2.509 1.00 0.00 O ATOM 651 CB LYS A 69 -6.805 9.561 -3.887 1.00 0.00 C ATOM 652 CG LYS A 69 -7.607 8.941 -2.727 1.00 0.00 C ATOM 653 CD LYS A 69 -9.093 9.274 -2.861 1.00 0.00 C ATOM 654 CE LYS A 69 -9.880 8.746 -1.667 1.00 0.00 C ATOM 655 NZ LYS A 69 -11.293 8.891 -2.013 1.00 0.00 N ATOM 0 H LYS A 69 -5.129 11.497 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.724 11.488 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.272 9.293 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.799 9.141 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.470 7.860 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.229 9.316 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.222 10.354 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.485 8.840 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.633 7.703 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.641 9.308 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.880 8.544 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.507 9.894 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.499 8.339 -2.870 1.00 0.00 H new ATOM 660 N ALA A 70 -6.516 12.128 -1.620 1.00 0.00 N ATOM 661 CA ALA A 70 -5.914 12.585 -0.349 1.00 0.00 C ATOM 662 C ALA A 70 -5.859 11.520 0.773 1.00 0.00 C ATOM 663 O ALA A 70 -5.884 11.825 1.967 1.00 0.00 O ATOM 664 CB ALA A 70 -6.674 13.845 0.093 1.00 0.00 C ATOM 0 H ALA A 70 -7.506 12.359 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.862 12.800 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.256 14.212 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.578 14.615 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.727 13.603 0.235 1.00 0.00 H new ATOM 666 N ALA A 71 -5.742 10.256 0.370 1.00 0.00 N ATOM 667 CA ALA A 71 -5.633 9.119 1.300 1.00 0.00 C ATOM 668 C ALA A 71 -4.184 8.815 1.728 1.00 0.00 C ATOM 669 O ALA A 71 -3.911 8.900 2.946 1.00 0.00 O ATOM 670 CB ALA A 71 -6.280 7.882 0.658 1.00 0.00 C ATOM 0 H ALA A 71 -5.719 9.984 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.160 9.392 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.203 7.036 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.330 8.087 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.766 7.645 -0.273 1.00 0.00 H new TER 672 ALA A 71