USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 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 5 LYS NZ :NH3+ 171:sc= -0.713 (180deg=-0.716) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0.531 USER MOD Set 2.2: A 58 TYR OH : rot 9:sc= 0.329 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.61) USER MOD Set 3.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.113 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -90:sc= 1.19 USER MOD Single : A 22 MET CE :methyl 176:sc= -1.89 (180deg=-1.93) USER MOD Single : A 23 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 24 ASN : amide:sc= -0.0879 X(o=-0.088,f=-0.38) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 33 SER OG : rot 180:sc= -0.107 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 26:sc= 0.043 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 170:sc= -0.849 USER MOD Single : A 50 HIS : no HE2:sc= 0.0554 K(o=0.055,f=-0.81) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.059 (180deg=-0.495) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 68 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -60:sc= 1.19 USER MOD Single : A 75 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.19) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.395 7.799 -6.471 1.00 0.00 N ATOM 2 CA MET A 1 -4.519 6.477 -5.803 1.00 0.00 C ATOM 3 C MET A 1 -4.607 6.633 -4.288 1.00 0.00 C ATOM 4 O MET A 1 -4.367 7.714 -3.752 1.00 0.00 O ATOM 5 CB MET A 1 -3.305 5.625 -6.181 1.00 0.00 C ATOM 6 CG MET A 1 -3.662 4.207 -6.595 1.00 0.00 C ATOM 7 SD MET A 1 -4.704 4.154 -8.066 1.00 0.00 S ATOM 8 CE MET A 1 -6.255 3.599 -7.362 1.00 0.00 C ATOM 0 H1 MET A 1 -4.337 7.664 -7.501 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.226 8.382 -6.245 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.535 8.278 -6.136 1.00 0.00 H new ATOM 0 HA MET A 1 -5.436 5.990 -6.135 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.772 6.110 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.621 5.586 -5.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.746 3.646 -6.783 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.177 3.711 -5.772 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.084 4.071 -7.890 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.332 2.516 -7.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.294 3.871 -6.307 1.00 0.00 H new ATOM 20 N ARG A 2 -4.954 5.547 -3.605 1.00 0.00 N ATOM 21 CA ARG A 2 -5.073 5.565 -2.151 1.00 0.00 C ATOM 22 C ARG A 2 -4.497 4.291 -1.541 1.00 0.00 C ATOM 23 O ARG A 2 -4.568 3.220 -2.141 1.00 0.00 O ATOM 24 CB ARG A 2 -6.537 5.726 -1.740 1.00 0.00 C ATOM 25 CG ARG A 2 -7.160 7.033 -2.205 1.00 0.00 C ATOM 26 CD ARG A 2 -8.497 6.806 -2.892 1.00 0.00 C ATOM 27 NE ARG A 2 -8.402 6.965 -4.340 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.448 7.192 -5.133 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.669 7.286 -4.622 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.271 7.324 -6.441 1.00 0.00 N ATOM 0 H ARG A 2 -5.158 4.644 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.503 6.415 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.113 4.894 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.610 5.665 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.298 7.695 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.479 7.537 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.858 5.804 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.231 7.509 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.480 6.898 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.810 7.184 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.466 7.460 -5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.335 7.252 -6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.071 7.498 -7.049 1.00 0.00 H new ATOM 44 N ILE A 3 -3.929 4.416 -0.344 1.00 0.00 N ATOM 45 CA ILE A 3 -3.338 3.276 0.355 1.00 0.00 C ATOM 46 C ILE A 3 -4.254 2.056 0.312 1.00 0.00 C ATOM 47 O ILE A 3 -3.787 0.917 0.340 1.00 0.00 O ATOM 48 CB ILE A 3 -3.024 3.626 1.822 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.413 2.414 2.540 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.276 4.123 2.533 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.430 1.446 3.115 1.00 0.00 C ATOM 0 H ILE A 3 -3.865 5.298 0.164 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.409 3.035 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.291 4.432 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.774 1.876 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.772 2.770 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.035 4.365 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.651 5.014 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.040 3.346 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.911 0.621 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.054 1.964 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.056 1.056 2.312 1.00 0.00 H new ATOM 63 N ASP A 4 -5.557 2.299 0.244 1.00 0.00 N ATOM 64 CA ASP A 4 -6.530 1.214 0.198 1.00 0.00 C ATOM 65 C ASP A 4 -6.360 0.374 -1.065 1.00 0.00 C ATOM 66 O ASP A 4 -6.129 -0.830 -0.990 1.00 0.00 O ATOM 67 CB ASP A 4 -7.957 1.765 0.277 1.00 0.00 C ATOM 68 CG ASP A 4 -8.166 2.984 -0.600 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.393 2.810 -1.816 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.101 4.114 -0.071 1.00 0.00 O ATOM 0 H ASP A 4 -5.964 3.234 0.220 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.353 0.572 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.659 0.986 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.185 2.024 1.311 1.00 0.00 H new ATOM 75 N LYS A 5 -6.483 1.011 -2.224 1.00 0.00 N ATOM 76 CA LYS A 5 -6.350 0.316 -3.502 1.00 0.00 C ATOM 77 C LYS A 5 -4.906 0.324 -4.014 1.00 0.00 C ATOM 78 O LYS A 5 -4.608 -0.275 -5.047 1.00 0.00 O ATOM 79 CB LYS A 5 -7.273 0.954 -4.544 1.00 0.00 C ATOM 80 CG LYS A 5 -8.373 0.026 -5.035 1.00 0.00 C ATOM 81 CD LYS A 5 -9.690 0.765 -5.208 1.00 0.00 C ATOM 82 CE LYS A 5 -9.570 1.889 -6.224 1.00 0.00 C ATOM 83 NZ LYS A 5 -9.664 1.387 -7.622 1.00 0.00 N ATOM 0 H LYS A 5 -6.675 2.009 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.638 -0.723 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.728 1.847 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.676 1.278 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.077 -0.420 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.504 -0.792 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.462 0.065 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.008 1.173 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.357 2.623 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.619 2.403 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.731 2.193 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.817 0.827 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.510 0.790 -7.720 1.00 0.00 H new ATOM 97 N PHE A 6 -4.019 1.018 -3.306 1.00 0.00 N ATOM 98 CA PHE A 6 -2.622 1.112 -3.719 1.00 0.00 C ATOM 99 C PHE A 6 -1.856 -0.184 -3.461 1.00 0.00 C ATOM 100 O PHE A 6 -1.443 -0.867 -4.400 1.00 0.00 O ATOM 101 CB PHE A 6 -1.933 2.270 -2.998 1.00 0.00 C ATOM 102 CG PHE A 6 -0.584 2.610 -3.563 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.470 3.445 -4.663 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.570 2.094 -2.996 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.770 3.760 -5.187 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.813 2.405 -3.515 1.00 0.00 C ATOM 107 CZ PHE A 6 1.913 3.238 -4.611 1.00 0.00 C ATOM 0 H PHE A 6 -4.241 1.521 -2.447 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.617 1.293 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.572 3.151 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.823 2.017 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.361 3.855 -5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.498 1.441 -2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.845 4.412 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.705 1.997 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.883 3.482 -5.018 1.00 0.00 H new ATOM 117 N LEU A 7 -1.647 -0.506 -2.190 1.00 0.00 N ATOM 118 CA LEU A 7 -0.904 -1.706 -1.820 1.00 0.00 C ATOM 119 C LEU A 7 -1.769 -2.962 -1.898 1.00 0.00 C ATOM 120 O LEU A 7 -1.254 -4.079 -1.856 1.00 0.00 O ATOM 121 CB LEU A 7 -0.323 -1.552 -0.413 1.00 0.00 C ATOM 122 CG LEU A 7 -1.349 -1.390 0.710 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.963 -2.734 1.070 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.699 -0.755 1.932 1.00 0.00 C ATOM 0 H LEU A 7 -1.980 0.045 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.092 -1.823 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.293 -2.425 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.338 -0.686 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.145 -0.733 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.690 -2.599 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.460 -3.153 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.179 -3.415 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.441 -0.646 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.115 -1.390 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.305 0.226 1.666 1.00 0.00 H new ATOM 136 N GLN A 8 -3.078 -2.779 -2.014 1.00 0.00 N ATOM 137 CA GLN A 8 -3.997 -3.908 -2.097 1.00 0.00 C ATOM 138 C GLN A 8 -4.224 -4.335 -3.547 1.00 0.00 C ATOM 139 O GLN A 8 -4.771 -5.406 -3.808 1.00 0.00 O ATOM 140 CB GLN A 8 -5.326 -3.548 -1.440 1.00 0.00 C ATOM 141 CG GLN A 8 -5.188 -3.167 0.025 1.00 0.00 C ATOM 142 CD GLN A 8 -6.517 -3.164 0.757 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.604 -3.589 1.910 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.561 -2.685 0.091 1.00 0.00 N ATOM 0 H GLN A 8 -3.526 -1.864 -2.053 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.549 -4.749 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.779 -2.718 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.007 -4.395 -1.526 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.509 -3.865 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.735 -2.178 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.444 -2.343 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.480 -2.659 0.533 1.00 0.00 H new ATOM 153 N SER A 9 -3.803 -3.493 -4.489 1.00 0.00 N ATOM 154 CA SER A 9 -3.965 -3.793 -5.907 1.00 0.00 C ATOM 155 C SER A 9 -2.647 -4.251 -6.523 1.00 0.00 C ATOM 156 O SER A 9 -2.628 -5.108 -7.406 1.00 0.00 O ATOM 157 CB SER A 9 -4.488 -2.565 -6.654 1.00 0.00 C ATOM 158 OG SER A 9 -3.468 -1.594 -6.819 1.00 0.00 O ATOM 0 H SER A 9 -3.349 -2.601 -4.295 1.00 0.00 H new ATOM 0 HA SER A 9 -4.689 -4.603 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.870 -2.865 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.323 -2.130 -6.105 1.00 0.00 H new ATOM 0 HG SER A 9 -3.469 -0.985 -6.051 1.00 0.00 H new ATOM 164 N VAL A 10 -1.546 -3.674 -6.051 1.00 0.00 N ATOM 165 CA VAL A 10 -0.222 -4.022 -6.557 1.00 0.00 C ATOM 166 C VAL A 10 0.044 -5.519 -6.422 1.00 0.00 C ATOM 167 O VAL A 10 0.618 -6.140 -7.317 1.00 0.00 O ATOM 168 CB VAL A 10 0.885 -3.249 -5.816 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.828 -1.767 -6.159 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.776 -3.464 -4.314 1.00 0.00 C ATOM 0 H VAL A 10 -1.544 -2.964 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.206 -3.745 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 10 1.851 -3.634 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.618 -1.239 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.965 -1.636 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.141 -1.363 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.567 -2.910 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.194 -3.111 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.877 -4.526 -4.090 1.00 0.00 H new ATOM 180 N GLY A 11 -0.376 -6.090 -5.299 1.00 0.00 N ATOM 181 CA GLY A 11 -0.174 -7.509 -5.067 1.00 0.00 C ATOM 182 C GLY A 11 0.513 -7.789 -3.745 1.00 0.00 C ATOM 183 O GLY A 11 1.379 -8.660 -3.661 1.00 0.00 O ATOM 0 H GLY A 11 -0.853 -5.596 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.138 -8.018 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.423 -7.925 -5.878 1.00 0.00 H new ATOM 187 N LEU A 12 0.125 -7.051 -2.711 1.00 0.00 N ATOM 188 CA LEU A 12 0.709 -7.224 -1.386 1.00 0.00 C ATOM 189 C LEU A 12 -0.266 -7.939 -0.455 1.00 0.00 C ATOM 190 O LEU A 12 0.028 -9.021 0.055 1.00 0.00 O ATOM 191 CB LEU A 12 1.100 -5.864 -0.797 1.00 0.00 C ATOM 192 CG LEU A 12 2.604 -5.627 -0.663 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.929 -4.151 -0.842 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.104 -6.124 0.685 1.00 0.00 C ATOM 0 H LEU A 12 -0.592 -6.327 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 12 1.605 -7.838 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.678 -5.078 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.643 -5.766 0.188 1.00 0.00 H new ATOM 0 HG LEU A 12 3.112 -6.189 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.004 -4.001 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.606 -3.825 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.410 -3.569 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.177 -5.947 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.589 -5.590 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.905 -7.192 0.776 1.00 0.00 H new ATOM 206 N VAL A 13 -1.425 -7.328 -0.238 1.00 0.00 N ATOM 207 CA VAL A 13 -2.443 -7.904 0.630 1.00 0.00 C ATOM 208 C VAL A 13 -3.812 -7.887 -0.042 1.00 0.00 C ATOM 209 O VAL A 13 -4.663 -7.057 0.279 1.00 0.00 O ATOM 210 CB VAL A 13 -2.533 -7.153 1.973 1.00 0.00 C ATOM 211 CG1 VAL A 13 -1.477 -7.662 2.942 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.394 -5.652 1.761 1.00 0.00 C ATOM 0 H VAL A 13 -1.683 -6.432 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.146 -8.935 0.821 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.514 -7.344 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.556 -7.120 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.631 -8.726 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.486 -7.505 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.460 -5.141 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.429 -5.437 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.193 -5.301 1.108 1.00 0.00 H new ATOM 337 N THR A 20 -12.394 -3.487 4.193 1.00 0.00 N ATOM 338 CA THR A 20 -10.939 -3.395 4.197 1.00 0.00 C ATOM 339 C THR A 20 -10.361 -3.968 5.487 1.00 0.00 C ATOM 340 O THR A 20 -9.439 -4.784 5.456 1.00 0.00 O ATOM 341 CB THR A 20 -10.495 -1.943 4.019 1.00 0.00 C ATOM 342 OG1 THR A 20 -9.082 -1.846 4.019 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.019 -1.021 5.097 1.00 0.00 C ATOM 0 HA THR A 20 -10.561 -3.983 3.361 1.00 0.00 H new ATOM 0 HB THR A 20 -10.911 -1.629 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.818 -0.909 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.667 -0.006 4.911 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.109 -1.034 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.659 -1.357 6.070 1.00 0.00 H new ATOM 351 N ASP A 21 -10.908 -3.540 6.623 1.00 0.00 N ATOM 352 CA ASP A 21 -10.452 -4.013 7.930 1.00 0.00 C ATOM 353 C ASP A 21 -9.116 -3.381 8.322 1.00 0.00 C ATOM 354 O ASP A 21 -8.985 -2.817 9.407 1.00 0.00 O ATOM 355 CB ASP A 21 -10.333 -5.540 7.938 1.00 0.00 C ATOM 356 CG ASP A 21 -11.059 -6.172 9.109 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.054 -5.571 10.204 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.633 -7.266 8.931 1.00 0.00 O ATOM 0 H ASP A 21 -11.671 -2.864 6.665 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.197 -3.710 8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.737 -5.938 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.280 -5.819 7.974 1.00 0.00 H new ATOM 363 N MET A 22 -8.125 -3.490 7.439 1.00 0.00 N ATOM 364 CA MET A 22 -6.794 -2.939 7.693 1.00 0.00 C ATOM 365 C MET A 22 -6.864 -1.533 8.289 1.00 0.00 C ATOM 366 O MET A 22 -6.127 -1.206 9.219 1.00 0.00 O ATOM 367 CB MET A 22 -5.980 -2.910 6.399 1.00 0.00 C ATOM 368 CG MET A 22 -5.808 -4.277 5.758 1.00 0.00 C ATOM 369 SD MET A 22 -4.237 -5.052 6.185 1.00 0.00 S ATOM 370 CE MET A 22 -4.083 -6.253 4.866 1.00 0.00 C ATOM 0 H MET A 22 -8.219 -3.957 6.537 1.00 0.00 H new ATOM 0 HA MET A 22 -6.305 -3.588 8.420 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.467 -2.243 5.688 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.996 -2.489 6.608 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.626 -4.926 6.071 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.877 -4.177 4.675 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.125 -6.765 4.950 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.891 -6.981 4.940 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.140 -5.745 3.903 1.00 0.00 H new ATOM 380 N CYS A 23 -7.747 -0.703 7.744 1.00 0.00 N ATOM 381 CA CYS A 23 -7.902 0.668 8.220 1.00 0.00 C ATOM 382 C CYS A 23 -8.282 0.703 9.700 1.00 0.00 C ATOM 383 O CYS A 23 -8.015 1.684 10.394 1.00 0.00 O ATOM 384 CB CYS A 23 -8.959 1.402 7.390 1.00 0.00 C ATOM 385 SG CYS A 23 -10.653 0.823 7.659 1.00 0.00 S ATOM 0 H CYS A 23 -8.366 -0.955 6.973 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.942 1.172 8.105 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.910 2.466 7.621 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.714 1.293 6.333 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.469 1.508 6.914 1.00 0.00 H new ATOM 391 N ASN A 24 -8.911 -0.367 10.175 1.00 0.00 N ATOM 392 CA ASN A 24 -9.331 -0.448 11.571 1.00 0.00 C ATOM 393 C ASN A 24 -8.243 -1.070 12.443 1.00 0.00 C ATOM 394 O ASN A 24 -7.811 -0.473 13.429 1.00 0.00 O ATOM 395 CB ASN A 24 -10.623 -1.262 11.686 1.00 0.00 C ATOM 396 CG ASN A 24 -11.707 -0.523 12.446 1.00 0.00 C ATOM 397 OD1 ASN A 24 -11.924 0.670 12.238 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.393 -1.231 13.336 1.00 0.00 N ATOM 0 H ASN A 24 -9.141 -1.189 9.616 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.511 0.566 11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.985 -1.506 10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.411 -2.206 12.188 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.133 -0.787 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.179 -2.218 13.476 1.00 0.00 H new ATOM 405 N VAL A 25 -7.810 -2.273 12.079 1.00 0.00 N ATOM 406 CA VAL A 25 -6.778 -2.977 12.833 1.00 0.00 C ATOM 407 C VAL A 25 -5.533 -2.112 13.020 1.00 0.00 C ATOM 408 O VAL A 25 -4.842 -2.212 14.034 1.00 0.00 O ATOM 409 CB VAL A 25 -6.375 -4.295 12.143 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.573 -5.225 12.029 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.771 -4.022 10.774 1.00 0.00 C ATOM 0 H VAL A 25 -8.158 -2.781 11.266 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.206 -3.202 13.810 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.618 -4.786 12.755 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.270 -6.150 11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.955 -5.450 13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.354 -4.742 11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.493 -4.966 10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.502 -3.507 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.885 -3.398 10.885 1.00 0.00 H new ATOM 421 N GLY A 26 -5.255 -1.262 12.037 1.00 0.00 N ATOM 422 CA GLY A 26 -4.095 -0.392 12.116 1.00 0.00 C ATOM 423 C GLY A 26 -3.070 -0.681 11.035 1.00 0.00 C ATOM 424 O GLY A 26 -1.891 -0.367 11.192 1.00 0.00 O ATOM 0 H GLY A 26 -5.811 -1.160 11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.418 0.646 12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.627 -0.505 13.094 1.00 0.00 H new ATOM 428 N ALA A 27 -3.519 -1.278 9.935 1.00 0.00 N ATOM 429 CA ALA A 27 -2.631 -1.603 8.826 1.00 0.00 C ATOM 430 C ALA A 27 -2.738 -0.561 7.720 1.00 0.00 C ATOM 431 O ALA A 27 -2.587 -0.875 6.539 1.00 0.00 O ATOM 432 CB ALA A 27 -2.950 -2.988 8.284 1.00 0.00 C ATOM 0 H ALA A 27 -4.492 -1.546 9.789 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.606 -1.599 9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.279 -3.218 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.818 -3.727 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.982 -3.013 7.933 1.00 0.00 H new ATOM 438 N VAL A 28 -3.001 0.682 8.112 1.00 0.00 N ATOM 439 CA VAL A 28 -3.130 1.776 7.158 1.00 0.00 C ATOM 440 C VAL A 28 -2.567 3.070 7.734 1.00 0.00 C ATOM 441 O VAL A 28 -3.259 3.797 8.448 1.00 0.00 O ATOM 442 CB VAL A 28 -4.602 2.000 6.759 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.710 3.053 5.665 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.239 0.692 6.316 1.00 0.00 C ATOM 0 H VAL A 28 -3.129 0.956 9.086 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.561 1.497 6.271 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.143 2.365 7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.757 3.195 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.296 3.995 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.154 2.724 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.278 0.869 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.696 0.295 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.200 -0.027 7.134 1.00 0.00 H new ATOM 454 N TRP A 29 -1.307 3.351 7.422 1.00 0.00 N ATOM 455 CA TRP A 29 -0.648 4.558 7.910 1.00 0.00 C ATOM 456 C TRP A 29 0.123 5.243 6.786 1.00 0.00 C ATOM 457 O TRP A 29 0.877 4.598 6.056 1.00 0.00 O ATOM 458 CB TRP A 29 0.300 4.215 9.062 1.00 0.00 C ATOM 459 CG TRP A 29 -0.375 4.166 10.399 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.446 3.394 10.752 1.00 0.00 C ATOM 461 CD2 TRP A 29 -0.024 4.920 11.564 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.781 3.623 12.064 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.923 4.555 12.585 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.965 5.867 11.845 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.863 5.106 13.862 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.024 6.412 13.114 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.116 6.031 14.109 1.00 0.00 C ATOM 0 H TRP A 29 -0.721 2.760 6.833 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.414 5.243 8.273 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.765 3.250 8.864 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.101 4.954 9.095 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.955 2.704 10.095 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.544 3.172 12.568 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.670 6.167 11.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.564 4.814 14.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.784 7.145 13.342 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.189 6.475 15.091 1.00 0.00 H new ATOM 478 N LEU A 30 -0.070 6.551 6.650 1.00 0.00 N ATOM 479 CA LEU A 30 0.607 7.318 5.610 1.00 0.00 C ATOM 480 C LEU A 30 1.615 8.291 6.213 1.00 0.00 C ATOM 481 O LEU A 30 1.249 9.190 6.971 1.00 0.00 O ATOM 482 CB LEU A 30 -0.413 8.082 4.765 1.00 0.00 C ATOM 483 CG LEU A 30 -0.018 8.284 3.301 1.00 0.00 C ATOM 484 CD1 LEU A 30 1.290 9.055 3.204 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.097 6.944 2.592 1.00 0.00 C ATOM 0 H LEU A 30 -0.689 7.101 7.246 1.00 0.00 H new ATOM 0 HA LEU A 30 1.146 6.617 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.363 7.549 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.580 9.059 5.219 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.797 8.867 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.556 9.190 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.174 10.030 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.079 8.498 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.379 7.106 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.857 6.336 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.862 6.428 2.632 1.00 0.00 H new ATOM 497 N ASN A 31 2.886 8.107 5.868 1.00 0.00 N ATOM 498 CA ASN A 31 3.951 8.968 6.370 1.00 0.00 C ATOM 499 C ASN A 31 3.964 8.997 7.895 1.00 0.00 C ATOM 500 O ASN A 31 4.061 10.061 8.506 1.00 0.00 O ATOM 501 CB ASN A 31 3.787 10.387 5.821 1.00 0.00 C ATOM 502 CG ASN A 31 5.119 11.053 5.536 1.00 0.00 C ATOM 503 OD1 ASN A 31 5.851 11.423 6.455 1.00 0.00 O ATOM 504 ND2 ASN A 31 5.442 11.209 4.257 1.00 0.00 N ATOM 0 H ASN A 31 3.204 7.367 5.241 1.00 0.00 H new ATOM 0 HA ASN A 31 4.902 8.559 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.197 10.354 4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.229 10.989 6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.326 11.650 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.806 10.888 3.527 1.00 0.00 H new ATOM 511 N GLY A 32 3.864 7.821 8.506 1.00 0.00 N ATOM 512 CA GLY A 32 3.865 7.736 9.954 1.00 0.00 C ATOM 513 C GLY A 32 2.649 8.392 10.575 1.00 0.00 C ATOM 514 O GLY A 32 2.750 9.047 11.613 1.00 0.00 O ATOM 0 H GLY A 32 3.782 6.926 8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.901 6.688 10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.767 8.209 10.342 1.00 0.00 H new ATOM 518 N SER A 33 1.497 8.219 9.937 1.00 0.00 N ATOM 519 CA SER A 33 0.254 8.799 10.432 1.00 0.00 C ATOM 520 C SER A 33 -0.937 7.917 10.074 1.00 0.00 C ATOM 521 O SER A 33 -1.108 7.526 8.919 1.00 0.00 O ATOM 522 CB SER A 33 0.055 10.202 9.856 1.00 0.00 C ATOM 523 OG SER A 33 1.289 10.893 9.760 1.00 0.00 O ATOM 0 H SER A 33 1.398 7.682 9.076 1.00 0.00 H new ATOM 0 HA SER A 33 0.321 8.866 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.404 10.132 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.632 10.764 10.488 1.00 0.00 H new ATOM 0 HG SER A 33 1.136 11.786 9.388 1.00 0.00 H new ATOM 529 N CYS A 34 -1.759 7.606 11.071 1.00 0.00 N ATOM 530 CA CYS A 34 -2.935 6.770 10.861 1.00 0.00 C ATOM 531 C CYS A 34 -3.869 7.393 9.829 1.00 0.00 C ATOM 532 O CYS A 34 -4.153 8.589 9.878 1.00 0.00 O ATOM 533 CB CYS A 34 -3.680 6.559 12.180 1.00 0.00 C ATOM 534 SG CYS A 34 -4.978 5.304 12.102 1.00 0.00 S ATOM 0 H CYS A 34 -1.632 7.921 12.033 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.600 5.804 10.484 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.962 6.276 12.949 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.123 7.505 12.490 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.548 5.197 13.265 1.00 0.00 H new ATOM 540 N ALA A 35 -4.342 6.575 8.896 1.00 0.00 N ATOM 541 CA ALA A 35 -5.243 7.048 7.852 1.00 0.00 C ATOM 542 C ALA A 35 -6.349 6.033 7.580 1.00 0.00 C ATOM 543 O ALA A 35 -6.167 4.833 7.785 1.00 0.00 O ATOM 544 CB ALA A 35 -4.465 7.339 6.578 1.00 0.00 C ATOM 0 H ALA A 35 -4.117 5.582 8.841 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.710 7.970 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.149 7.691 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.716 8.106 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.971 6.429 6.237 1.00 0.00 H new ATOM 550 N LYS A 36 -7.493 6.523 7.117 1.00 0.00 N ATOM 551 CA LYS A 36 -8.628 5.658 6.816 1.00 0.00 C ATOM 552 C LYS A 36 -8.397 4.895 5.515 1.00 0.00 C ATOM 553 O LYS A 36 -7.277 4.843 5.005 1.00 0.00 O ATOM 554 CB LYS A 36 -9.913 6.485 6.720 1.00 0.00 C ATOM 555 CG LYS A 36 -11.094 5.858 7.442 1.00 0.00 C ATOM 556 CD LYS A 36 -10.982 6.034 8.947 1.00 0.00 C ATOM 557 CE LYS A 36 -12.349 6.010 9.613 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.853 4.621 9.796 1.00 0.00 N ATOM 0 H LYS A 36 -7.659 7.514 6.942 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.731 4.935 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.729 7.476 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.170 6.621 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.020 6.312 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.147 4.796 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.360 5.241 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.485 6.978 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.289 6.505 10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.057 6.577 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.787 4.648 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.934 4.156 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.190 4.087 10.394 1.00 0.00 H new ATOM 572 N ALA A 37 -9.462 4.305 4.981 1.00 0.00 N ATOM 573 CA ALA A 37 -9.372 3.546 3.740 1.00 0.00 C ATOM 574 C ALA A 37 -9.791 4.396 2.545 1.00 0.00 C ATOM 575 O ALA A 37 -10.253 3.872 1.531 1.00 0.00 O ATOM 576 CB ALA A 37 -10.229 2.293 3.826 1.00 0.00 C ATOM 0 H ALA A 37 -10.396 4.338 5.389 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.332 3.253 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.153 1.735 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.881 1.670 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.268 2.574 3.997 1.00 0.00 H new ATOM 582 N SER A 38 -9.625 5.708 2.669 1.00 0.00 N ATOM 583 CA SER A 38 -9.986 6.629 1.597 1.00 0.00 C ATOM 584 C SER A 38 -9.044 7.828 1.566 1.00 0.00 C ATOM 585 O SER A 38 -9.416 8.909 1.109 1.00 0.00 O ATOM 586 CB SER A 38 -11.428 7.108 1.771 1.00 0.00 C ATOM 587 OG SER A 38 -12.337 6.236 1.121 1.00 0.00 O ATOM 0 H SER A 38 -9.243 6.158 3.501 1.00 0.00 H new ATOM 0 HA SER A 38 -9.897 6.095 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.670 7.165 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.532 8.114 1.366 1.00 0.00 H new ATOM 0 HG SER A 38 -11.947 5.339 1.065 1.00 0.00 H new ATOM 593 N LYS A 39 -7.823 7.633 2.054 1.00 0.00 N ATOM 594 CA LYS A 39 -6.832 8.701 2.077 1.00 0.00 C ATOM 595 C LYS A 39 -5.991 8.689 0.805 1.00 0.00 C ATOM 596 O LYS A 39 -5.225 7.757 0.563 1.00 0.00 O ATOM 597 CB LYS A 39 -5.929 8.560 3.306 1.00 0.00 C ATOM 598 CG LYS A 39 -5.760 9.855 4.086 1.00 0.00 C ATOM 599 CD LYS A 39 -4.292 10.178 4.324 1.00 0.00 C ATOM 600 CE LYS A 39 -4.064 10.757 5.710 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.648 12.186 5.654 1.00 0.00 N ATOM 0 H LYS A 39 -7.497 6.746 2.438 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.359 9.653 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.344 7.799 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.948 8.206 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.229 10.673 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.275 9.774 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.696 9.273 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.948 10.888 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.979 10.668 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.299 10.176 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.503 12.543 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.761 12.269 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.389 12.745 5.186 1.00 0.00 H new ATOM 615 N GLU A 40 -6.143 9.730 -0.007 1.00 0.00 N ATOM 616 CA GLU A 40 -5.400 9.839 -1.257 1.00 0.00 C ATOM 617 C GLU A 40 -3.896 9.855 -1.001 1.00 0.00 C ATOM 618 O GLU A 40 -3.432 10.396 0.003 1.00 0.00 O ATOM 619 CB GLU A 40 -5.814 11.103 -2.012 1.00 0.00 C ATOM 620 CG GLU A 40 -5.894 10.914 -3.518 1.00 0.00 C ATOM 621 CD GLU A 40 -7.266 11.237 -4.077 1.00 0.00 C ATOM 622 OE1 GLU A 40 -7.739 12.374 -3.869 1.00 0.00 O ATOM 623 OE2 GLU A 40 -7.868 10.353 -4.722 1.00 0.00 O ATOM 0 H GLU A 40 -6.774 10.510 0.178 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.635 8.966 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.785 11.434 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.101 11.898 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.151 11.550 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.639 9.883 -3.765 1.00 0.00 H new ATOM 630 N VAL A 41 -3.141 9.258 -1.917 1.00 0.00 N ATOM 631 CA VAL A 41 -1.689 9.203 -1.795 1.00 0.00 C ATOM 632 C VAL A 41 -1.015 9.924 -2.956 1.00 0.00 C ATOM 633 O VAL A 41 -1.684 10.470 -3.834 1.00 0.00 O ATOM 634 CB VAL A 41 -1.184 7.749 -1.745 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.679 7.054 -0.486 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.619 6.990 -2.988 1.00 0.00 C ATOM 0 H VAL A 41 -3.511 8.805 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.430 9.701 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.094 7.763 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.312 6.028 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.311 7.586 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.769 7.050 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.253 5.965 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.707 6.984 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.209 7.476 -3.873 1.00 0.00 H new ATOM 646 N LYS A 42 0.314 9.924 -2.957 1.00 0.00 N ATOM 647 CA LYS A 42 1.078 10.579 -4.012 1.00 0.00 C ATOM 648 C LYS A 42 2.430 9.902 -4.208 1.00 0.00 C ATOM 649 O LYS A 42 2.808 9.015 -3.442 1.00 0.00 O ATOM 650 CB LYS A 42 1.278 12.058 -3.681 1.00 0.00 C ATOM 651 CG LYS A 42 1.900 12.296 -2.315 1.00 0.00 C ATOM 652 CD LYS A 42 2.264 13.758 -2.114 1.00 0.00 C ATOM 653 CE LYS A 42 1.187 14.502 -1.339 1.00 0.00 C ATOM 654 NZ LYS A 42 0.776 15.759 -2.024 1.00 0.00 N ATOM 0 H LYS A 42 0.884 9.478 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 42 0.513 10.494 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.912 12.510 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.314 12.565 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.203 11.984 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.793 11.680 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.211 13.827 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.410 14.234 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.318 13.856 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.555 14.737 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.041 16.235 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.599 16.387 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.400 15.533 -2.967 1.00 0.00 H new ATOM 668 N ALA A 43 3.155 10.326 -5.238 1.00 0.00 N ATOM 669 CA ALA A 43 4.467 9.763 -5.534 1.00 0.00 C ATOM 670 C ALA A 43 5.501 10.214 -4.509 1.00 0.00 C ATOM 671 O ALA A 43 5.455 11.344 -4.023 1.00 0.00 O ATOM 672 CB ALA A 43 4.904 10.154 -6.937 1.00 0.00 C ATOM 0 H ALA A 43 2.856 11.058 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 43 4.391 8.677 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.885 9.727 -7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.183 9.776 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.958 11.240 -7.012 1.00 0.00 H new ATOM 678 N GLY A 44 6.433 9.324 -4.185 1.00 0.00 N ATOM 679 CA GLY A 44 7.464 9.650 -3.219 1.00 0.00 C ATOM 680 C GLY A 44 6.929 9.719 -1.803 1.00 0.00 C ATOM 681 O GLY A 44 7.455 10.456 -0.968 1.00 0.00 O ATOM 0 H GLY A 44 6.492 8.383 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.255 8.902 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.914 10.607 -3.481 1.00 0.00 H new ATOM 685 N ASP A 45 5.880 8.951 -1.531 1.00 0.00 N ATOM 686 CA ASP A 45 5.272 8.928 -0.205 1.00 0.00 C ATOM 687 C ASP A 45 5.593 7.626 0.520 1.00 0.00 C ATOM 688 O ASP A 45 6.087 6.673 -0.084 1.00 0.00 O ATOM 689 CB ASP A 45 3.755 9.105 -0.313 1.00 0.00 C ATOM 690 CG ASP A 45 3.323 10.540 -0.079 1.00 0.00 C ATOM 691 OD1 ASP A 45 4.174 11.445 -0.207 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.134 10.758 0.233 1.00 0.00 O ATOM 0 H ASP A 45 5.433 8.336 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 45 5.688 9.755 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.424 8.785 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.264 8.457 0.413 1.00 0.00 H new ATOM 697 N THR A 46 5.311 7.591 1.818 1.00 0.00 N ATOM 698 CA THR A 46 5.571 6.405 2.625 1.00 0.00 C ATOM 699 C THR A 46 4.289 5.613 2.861 1.00 0.00 C ATOM 700 O THR A 46 3.222 6.187 3.081 1.00 0.00 O ATOM 701 CB THR A 46 6.191 6.801 3.966 1.00 0.00 C ATOM 702 OG1 THR A 46 6.922 8.008 3.844 1.00 0.00 O ATOM 703 CG2 THR A 46 7.128 5.752 4.522 1.00 0.00 C ATOM 0 H THR A 46 4.902 8.371 2.333 1.00 0.00 H new ATOM 0 HA THR A 46 6.272 5.773 2.079 1.00 0.00 H new ATOM 0 HB THR A 46 5.351 6.916 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.309 8.245 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.534 6.094 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.582 4.821 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.944 5.584 3.819 1.00 0.00 H new ATOM 711 N ILE A 47 4.403 4.290 2.817 1.00 0.00 N ATOM 712 CA ILE A 47 3.257 3.415 3.029 1.00 0.00 C ATOM 713 C ILE A 47 3.508 2.472 4.203 1.00 0.00 C ATOM 714 O ILE A 47 4.185 1.457 4.062 1.00 0.00 O ATOM 715 CB ILE A 47 2.954 2.586 1.762 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.725 3.511 0.567 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.742 1.691 1.983 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.533 4.428 0.732 1.00 0.00 C ATOM 0 H ILE A 47 5.279 3.800 2.636 1.00 0.00 H new ATOM 0 HA ILE A 47 2.397 4.046 3.253 1.00 0.00 H new ATOM 0 HB ILE A 47 3.814 1.950 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.619 4.115 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.586 2.906 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.545 1.115 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.939 1.010 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.873 2.306 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.431 5.055 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.630 3.831 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.678 5.059 1.609 1.00 0.00 H new ATOM 730 N SER A 48 2.961 2.818 5.362 1.00 0.00 N ATOM 731 CA SER A 48 3.135 2.004 6.560 1.00 0.00 C ATOM 732 C SER A 48 2.117 0.868 6.615 1.00 0.00 C ATOM 733 O SER A 48 0.978 1.018 6.175 1.00 0.00 O ATOM 734 CB SER A 48 3.016 2.878 7.811 1.00 0.00 C ATOM 735 OG SER A 48 2.675 2.103 8.949 1.00 0.00 O ATOM 0 H SER A 48 2.394 3.655 5.498 1.00 0.00 H new ATOM 0 HA SER A 48 4.130 1.561 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.960 3.393 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.259 3.646 7.651 1.00 0.00 H new ATOM 0 HG SER A 48 2.763 2.651 9.756 1.00 0.00 H new ATOM 741 N LEU A 49 2.540 -0.266 7.166 1.00 0.00 N ATOM 742 CA LEU A 49 1.675 -1.432 7.292 1.00 0.00 C ATOM 743 C LEU A 49 1.900 -2.122 8.634 1.00 0.00 C ATOM 744 O LEU A 49 3.004 -2.098 9.175 1.00 0.00 O ATOM 745 CB LEU A 49 1.938 -2.419 6.151 1.00 0.00 C ATOM 746 CG LEU A 49 1.075 -2.218 4.903 1.00 0.00 C ATOM 747 CD1 LEU A 49 -0.401 -2.191 5.271 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.471 -0.939 4.179 1.00 0.00 C ATOM 0 H LEU A 49 3.482 -0.401 7.534 1.00 0.00 H new ATOM 0 HA LEU A 49 0.640 -1.096 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.987 -2.346 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.779 -3.431 6.524 1.00 0.00 H new ATOM 0 HG LEU A 49 1.244 -3.059 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.998 -2.047 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.676 -3.135 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.588 -1.371 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.846 -0.813 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.333 -0.087 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.517 -1.000 3.879 1.00 0.00 H new ATOM 760 N HIS A 50 0.848 -2.733 9.168 1.00 0.00 N ATOM 761 CA HIS A 50 0.939 -3.425 10.449 1.00 0.00 C ATOM 762 C HIS A 50 1.185 -4.918 10.251 1.00 0.00 C ATOM 763 O HIS A 50 0.595 -5.543 9.371 1.00 0.00 O ATOM 764 CB HIS A 50 -0.341 -3.211 11.260 1.00 0.00 C ATOM 765 CG HIS A 50 -0.097 -3.031 12.726 1.00 0.00 C ATOM 766 ND1 HIS A 50 -0.417 -1.875 13.407 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.440 -3.869 13.645 1.00 0.00 C ATOM 768 CE1 HIS A 50 -0.086 -2.010 14.679 1.00 0.00 C ATOM 769 NE2 HIS A 50 0.435 -3.211 14.849 1.00 0.00 N ATOM 0 H HIS A 50 -0.075 -2.763 8.735 1.00 0.00 H new ATOM 0 HA HIS A 50 1.784 -3.008 10.997 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.862 -2.334 10.876 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.002 -4.065 11.112 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.843 -1.046 12.993 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.804 -4.869 13.464 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.219 -1.264 15.449 1.00 0.00 H new ATOM 778 N TYR A 51 2.059 -5.482 11.080 1.00 0.00 N ATOM 779 CA TYR A 51 2.384 -6.902 11.000 1.00 0.00 C ATOM 780 C TYR A 51 2.392 -7.538 12.388 1.00 0.00 C ATOM 781 O TYR A 51 2.093 -6.880 13.384 1.00 0.00 O ATOM 782 CB TYR A 51 3.744 -7.101 10.327 1.00 0.00 C ATOM 783 CG TYR A 51 3.711 -6.904 8.828 1.00 0.00 C ATOM 784 CD1 TYR A 51 3.573 -5.635 8.279 1.00 0.00 C ATOM 785 CD2 TYR A 51 3.815 -7.986 7.963 1.00 0.00 C ATOM 786 CE1 TYR A 51 3.542 -5.451 6.910 1.00 0.00 C ATOM 787 CE2 TYR A 51 3.785 -7.810 6.593 1.00 0.00 C ATOM 788 CZ TYR A 51 3.647 -6.540 6.071 1.00 0.00 C ATOM 789 OH TYR A 51 3.616 -6.361 4.707 1.00 0.00 O ATOM 0 H TYR A 51 2.555 -4.977 11.815 1.00 0.00 H new ATOM 0 HA TYR A 51 1.616 -7.390 10.400 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.461 -6.404 10.761 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.105 -8.106 10.545 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.489 -4.779 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.921 -8.981 8.368 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.436 -4.458 6.499 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.869 -8.662 5.934 1.00 0.00 H new ATOM 0 HH TYR A 51 3.703 -7.229 4.261 1.00 0.00 H new ATOM 799 N LEU A 52 2.731 -8.821 12.443 1.00 0.00 N ATOM 800 CA LEU A 52 2.775 -9.549 13.707 1.00 0.00 C ATOM 801 C LEU A 52 4.152 -9.440 14.353 1.00 0.00 C ATOM 802 O LEU A 52 4.269 -9.348 15.575 1.00 0.00 O ATOM 803 CB LEU A 52 2.420 -11.020 13.485 1.00 0.00 C ATOM 804 CG LEU A 52 1.310 -11.271 12.464 1.00 0.00 C ATOM 805 CD1 LEU A 52 1.448 -12.659 11.856 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.055 -11.104 13.112 1.00 0.00 C ATOM 0 H LEU A 52 2.980 -9.379 11.627 1.00 0.00 H new ATOM 0 HA LEU A 52 2.043 -9.102 14.379 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.316 -11.550 13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.120 -11.454 14.439 1.00 0.00 H new ATOM 0 HG LEU A 52 1.403 -10.536 11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.650 -12.820 11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.413 -12.743 11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.380 -13.410 12.644 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.834 -11.286 12.372 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.159 -11.816 13.931 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.152 -10.090 13.499 1.00 0.00 H new ATOM 818 N LYS A 53 5.193 -9.449 13.525 1.00 0.00 N ATOM 819 CA LYS A 53 6.561 -9.350 14.019 1.00 0.00 C ATOM 820 C LYS A 53 7.040 -7.899 14.028 1.00 0.00 C ATOM 821 O LYS A 53 8.242 -7.635 14.069 1.00 0.00 O ATOM 822 CB LYS A 53 7.498 -10.201 13.159 1.00 0.00 C ATOM 823 CG LYS A 53 7.604 -9.724 11.719 1.00 0.00 C ATOM 824 CD LYS A 53 6.782 -10.593 10.781 1.00 0.00 C ATOM 825 CE LYS A 53 7.490 -11.902 10.469 1.00 0.00 C ATOM 826 NZ LYS A 53 8.762 -11.682 9.727 1.00 0.00 N ATOM 0 H LYS A 53 5.115 -9.524 12.511 1.00 0.00 H new ATOM 0 HA LYS A 53 6.575 -9.723 15.043 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.491 -10.199 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.147 -11.233 13.166 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.263 -8.691 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.648 -9.737 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.812 -10.802 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.592 -10.051 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.699 -12.432 11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.831 -12.539 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.012 -12.545 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.642 -10.894 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.521 -11.453 10.400 1.00 0.00 H new ATOM 840 N GLY A 54 6.096 -6.963 13.991 1.00 0.00 N ATOM 841 CA GLY A 54 6.449 -5.555 13.997 1.00 0.00 C ATOM 842 C GLY A 54 5.687 -4.764 12.953 1.00 0.00 C ATOM 843 O GLY A 54 4.573 -5.131 12.579 1.00 0.00 O ATOM 0 H GLY A 54 5.095 -7.154 13.957 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.248 -5.137 14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.519 -5.451 13.818 1.00 0.00 H new ATOM 847 N ILE A 55 6.288 -3.677 12.481 1.00 0.00 N ATOM 848 CA ILE A 55 5.658 -2.834 11.473 1.00 0.00 C ATOM 849 C ILE A 55 6.567 -2.654 10.265 1.00 0.00 C ATOM 850 O ILE A 55 7.734 -2.289 10.401 1.00 0.00 O ATOM 851 CB ILE A 55 5.305 -1.443 12.036 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.684 -1.570 13.429 1.00 0.00 C ATOM 853 CG2 ILE A 55 4.359 -0.715 11.092 1.00 0.00 C ATOM 854 CD1 ILE A 55 3.335 -2.257 13.431 1.00 0.00 C ATOM 0 H ILE A 55 7.210 -3.360 12.780 1.00 0.00 H new ATOM 0 HA ILE A 55 4.741 -3.340 11.171 1.00 0.00 H new ATOM 0 HB ILE A 55 6.222 -0.861 12.123 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.366 -2.126 14.072 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.576 -0.575 13.862 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.119 0.266 11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.837 -0.594 10.120 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.443 -1.294 10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.956 -2.311 14.452 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.637 -1.690 12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.439 -3.265 13.028 1.00 0.00 H new ATOM 866 N GLU A 56 6.022 -2.906 9.081 1.00 0.00 N ATOM 867 CA GLU A 56 6.781 -2.764 7.845 1.00 0.00 C ATOM 868 C GLU A 56 6.164 -1.693 6.957 1.00 0.00 C ATOM 869 O GLU A 56 4.977 -1.745 6.638 1.00 0.00 O ATOM 870 CB GLU A 56 6.838 -4.093 7.094 1.00 0.00 C ATOM 871 CG GLU A 56 7.674 -5.153 7.792 1.00 0.00 C ATOM 872 CD GLU A 56 8.967 -5.453 7.059 1.00 0.00 C ATOM 873 OE1 GLU A 56 8.962 -5.429 5.810 1.00 0.00 O ATOM 874 OE2 GLU A 56 9.986 -5.712 7.735 1.00 0.00 O ATOM 0 H GLU A 56 5.057 -3.210 8.951 1.00 0.00 H new ATOM 0 HA GLU A 56 7.796 -2.463 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.824 -4.470 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.244 -3.920 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.903 -4.821 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.091 -6.069 7.882 1.00 0.00 H new ATOM 881 N GLU A 57 6.977 -0.721 6.564 1.00 0.00 N ATOM 882 CA GLU A 57 6.507 0.367 5.714 1.00 0.00 C ATOM 883 C GLU A 57 7.176 0.326 4.345 1.00 0.00 C ATOM 884 O GLU A 57 8.239 -0.273 4.176 1.00 0.00 O ATOM 885 CB GLU A 57 6.770 1.717 6.385 1.00 0.00 C ATOM 886 CG GLU A 57 8.146 1.826 7.017 1.00 0.00 C ATOM 887 CD GLU A 57 8.205 1.203 8.398 1.00 0.00 C ATOM 888 OE1 GLU A 57 7.137 1.058 9.029 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.319 0.860 8.848 1.00 0.00 O ATOM 0 H GLU A 57 7.963 -0.663 6.819 1.00 0.00 H new ATOM 0 HA GLU A 57 5.434 0.241 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.656 2.509 5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.013 1.885 7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.878 1.340 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.429 2.877 7.084 1.00 0.00 H new ATOM 896 N TYR A 58 6.543 0.970 3.372 1.00 0.00 N ATOM 897 CA TYR A 58 7.059 1.019 2.012 1.00 0.00 C ATOM 898 C TYR A 58 7.173 2.463 1.535 1.00 0.00 C ATOM 899 O TYR A 58 6.857 3.397 2.272 1.00 0.00 O ATOM 900 CB TYR A 58 6.154 0.225 1.069 1.00 0.00 C ATOM 901 CG TYR A 58 5.897 -1.194 1.523 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.190 -1.454 2.691 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.363 -2.274 0.783 1.00 0.00 C ATOM 904 CE1 TYR A 58 4.954 -2.751 3.108 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.130 -3.573 1.194 1.00 0.00 C ATOM 906 CZ TYR A 58 5.426 -3.806 2.356 1.00 0.00 C ATOM 907 OH TYR A 58 5.193 -5.098 2.768 1.00 0.00 O ATOM 0 H TYR A 58 5.663 1.470 3.503 1.00 0.00 H new ATOM 0 HA TYR A 58 8.052 0.570 2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.201 0.744 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.607 0.203 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.819 -0.630 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.916 -2.096 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.403 -2.937 4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.498 -4.402 0.607 1.00 0.00 H new ATOM 0 HH TYR A 58 4.566 -5.093 3.522 1.00 0.00 H new ATOM 917 N THR A 59 7.627 2.638 0.301 1.00 0.00 N ATOM 918 CA THR A 59 7.783 3.969 -0.273 1.00 0.00 C ATOM 919 C THR A 59 7.326 3.994 -1.728 1.00 0.00 C ATOM 920 O THR A 59 7.802 3.213 -2.551 1.00 0.00 O ATOM 921 CB THR A 59 9.242 4.419 -0.177 1.00 0.00 C ATOM 922 OG1 THR A 59 9.686 4.395 1.167 1.00 0.00 O ATOM 923 CG2 THR A 59 9.474 5.816 -0.713 1.00 0.00 C ATOM 0 H THR A 59 7.894 1.876 -0.322 1.00 0.00 H new ATOM 0 HA THR A 59 7.158 4.657 0.295 1.00 0.00 H new ATOM 0 HB THR A 59 9.803 3.714 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.621 4.684 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.529 6.073 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.187 5.855 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.873 6.528 -0.146 1.00 0.00 H new ATOM 931 N ILE A 60 6.404 4.900 -2.037 1.00 0.00 N ATOM 932 CA ILE A 60 5.884 5.029 -3.392 1.00 0.00 C ATOM 933 C ILE A 60 6.870 5.769 -4.290 1.00 0.00 C ATOM 934 O ILE A 60 7.274 6.893 -3.990 1.00 0.00 O ATOM 935 CB ILE A 60 4.535 5.772 -3.410 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.577 5.162 -2.385 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.924 5.732 -4.803 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.239 5.867 -2.313 1.00 0.00 C ATOM 0 H ILE A 60 6.002 5.555 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 60 5.737 4.018 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 60 4.709 6.814 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.413 4.113 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.046 5.188 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.971 6.262 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.601 6.210 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.761 4.696 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.611 5.381 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.392 6.910 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.749 5.818 -3.286 1.00 0.00 H new ATOM 950 N LEU A 61 7.254 5.132 -5.390 1.00 0.00 N ATOM 951 CA LEU A 61 8.192 5.729 -6.332 1.00 0.00 C ATOM 952 C LEU A 61 7.459 6.536 -7.403 1.00 0.00 C ATOM 953 O LEU A 61 8.056 7.374 -8.078 1.00 0.00 O ATOM 954 CB LEU A 61 9.045 4.644 -6.991 1.00 0.00 C ATOM 955 CG LEU A 61 9.909 3.829 -6.027 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.712 2.782 -6.784 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.833 4.745 -5.238 1.00 0.00 C ATOM 0 H LEU A 61 6.930 4.201 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 61 8.840 6.406 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.387 3.963 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.694 5.112 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 61 9.252 3.315 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.320 2.212 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.032 2.108 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.360 3.275 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.441 4.150 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.483 5.286 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.238 5.457 -4.666 1.00 0.00 H new ATOM 969 N GLN A 62 6.161 6.279 -7.554 1.00 0.00 N ATOM 970 CA GLN A 62 5.353 6.982 -8.542 1.00 0.00 C ATOM 971 C GLN A 62 3.897 6.533 -8.473 1.00 0.00 C ATOM 972 O GLN A 62 3.576 5.532 -7.832 1.00 0.00 O ATOM 973 CB GLN A 62 5.906 6.743 -9.950 1.00 0.00 C ATOM 974 CG GLN A 62 5.854 7.974 -10.840 1.00 0.00 C ATOM 975 CD GLN A 62 7.226 8.405 -11.322 1.00 0.00 C ATOM 976 OE1 GLN A 62 7.981 7.606 -11.876 1.00 0.00 O ATOM 977 NE2 GLN A 62 7.555 9.674 -11.113 1.00 0.00 N ATOM 0 H GLN A 62 5.649 5.589 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 62 5.398 8.048 -8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.939 6.404 -9.873 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.341 5.939 -10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.219 7.768 -11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.391 8.795 -10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.898 10.302 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.465 10.021 -11.416 1.00 0.00 H new ATOM 986 N ILE A 63 3.020 7.279 -9.136 1.00 0.00 N ATOM 987 CA ILE A 63 1.598 6.959 -9.149 1.00 0.00 C ATOM 988 C ILE A 63 1.078 6.816 -10.578 1.00 0.00 C ATOM 989 O ILE A 63 0.633 7.790 -11.184 1.00 0.00 O ATOM 990 CB ILE A 63 0.773 8.037 -8.420 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.386 8.341 -7.052 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.672 7.587 -8.270 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.353 7.166 -6.099 1.00 0.00 C ATOM 0 H ILE A 63 3.270 8.110 -9.672 1.00 0.00 H new ATOM 0 HA ILE A 63 1.483 6.009 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 63 0.789 8.950 -9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.420 8.658 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.852 9.178 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.242 8.359 -7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.104 7.416 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.707 6.663 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.804 7.455 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.320 6.862 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.911 6.334 -6.528 1.00 0.00 H new ATOM 1005 N PRO A 64 1.129 5.594 -11.136 1.00 0.00 N ATOM 1006 CA PRO A 64 0.660 5.330 -12.500 1.00 0.00 C ATOM 1007 C PRO A 64 -0.855 5.450 -12.633 1.00 0.00 C ATOM 1008 O PRO A 64 -1.389 5.485 -13.742 1.00 0.00 O ATOM 1009 CB PRO A 64 1.106 3.889 -12.760 1.00 0.00 C ATOM 1010 CG PRO A 64 1.206 3.275 -11.406 1.00 0.00 C ATOM 1011 CD PRO A 64 1.645 4.376 -10.483 1.00 0.00 C ATOM 0 HA PRO A 64 1.063 6.051 -13.211 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.387 3.358 -13.384 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.063 3.858 -13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.247 2.863 -11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.923 2.454 -11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.232 4.250 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.730 4.405 -10.379 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.544 5.514 -11.498 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.998 5.630 -11.492 1.00 0.00 C ATOM 1021 C ALA A 65 -3.648 4.426 -12.163 1.00 0.00 C ATOM 1022 O ALA A 65 -4.523 4.574 -13.016 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.425 6.919 -12.180 1.00 0.00 C ATOM 0 H ALA A 65 -1.119 5.488 -10.571 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.333 5.656 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.512 6.994 -12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.997 7.772 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.072 6.915 -13.211 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.212 3.232 -11.774 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.751 2.000 -12.338 1.00 0.00 C ATOM 1031 C LEU A 66 -4.761 1.361 -11.388 1.00 0.00 C ATOM 1032 O LEU A 66 -4.957 1.831 -10.267 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.619 1.015 -12.641 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.171 0.972 -14.102 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.808 2.366 -14.591 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -0.995 0.022 -14.269 1.00 0.00 C ATOM 0 H LEU A 66 -2.487 3.092 -11.070 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.264 2.249 -13.267 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.760 1.271 -12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.939 0.016 -12.346 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.000 0.603 -14.707 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.492 2.315 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.677 3.019 -14.507 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.995 2.764 -13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.688 0.003 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.163 0.362 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.290 -0.980 -13.959 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.398 0.288 -11.845 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.386 -0.416 -11.037 1.00 0.00 C ATOM 1050 C LYS A 67 -5.792 -1.684 -10.433 1.00 0.00 C ATOM 1051 O LYS A 67 -6.095 -2.044 -9.296 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.610 -0.766 -11.884 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.822 -1.179 -11.063 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.446 0.012 -10.355 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.473 0.708 -11.234 1.00 0.00 C ATOM 1056 NZ LYS A 67 -10.541 2.169 -10.959 1.00 0.00 N ATOM 0 H LYS A 67 -5.247 -0.113 -12.771 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.691 0.243 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.874 0.095 -12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.350 -1.576 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.562 -1.646 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.527 -1.927 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.921 -0.320 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.666 0.720 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.222 0.547 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.454 0.262 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.253 2.606 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.806 2.323 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.612 2.600 -11.141 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.943 -2.357 -11.203 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.304 -3.586 -10.746 1.00 0.00 C ATOM 1072 C ASN A 68 -2.993 -3.824 -11.488 1.00 0.00 C ATOM 1073 O ASN A 68 -2.993 -4.211 -12.657 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.241 -4.779 -10.946 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.663 -4.945 -12.392 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -5.879 -3.965 -13.105 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.784 -6.192 -12.833 1.00 0.00 N ATOM 0 H ASN A 68 -4.681 -2.072 -12.147 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.086 -3.480 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.744 -5.689 -10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.127 -4.650 -10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.066 -6.367 -13.798 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.595 -6.975 -12.207 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.879 -3.591 -10.802 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.562 -3.779 -11.398 1.00 0.00 C ATOM 1086 C VAL A 69 -0.095 -5.227 -11.252 1.00 0.00 C ATOM 1087 O VAL A 69 0.166 -5.692 -10.143 1.00 0.00 O ATOM 1088 CB VAL A 69 0.482 -2.849 -10.754 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.797 -2.913 -11.514 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.040 -1.421 -10.697 1.00 0.00 C ATOM 0 H VAL A 69 -1.862 -3.272 -9.833 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.654 -3.533 -12.456 1.00 0.00 H new ATOM 0 HB VAL A 69 0.663 -3.188 -9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.522 -2.249 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.177 -3.934 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.636 -2.602 -12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.711 -0.777 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.251 -1.070 -11.707 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.954 -1.391 -10.104 1.00 0.00 H new ATOM 1100 N PRO A 70 0.019 -5.965 -12.373 1.00 0.00 N ATOM 1101 CA PRO A 70 0.458 -7.365 -12.354 1.00 0.00 C ATOM 1102 C PRO A 70 1.794 -7.543 -11.642 1.00 0.00 C ATOM 1103 O PRO A 70 2.515 -6.574 -11.404 1.00 0.00 O ATOM 1104 CB PRO A 70 0.591 -7.721 -13.838 1.00 0.00 C ATOM 1105 CG PRO A 70 -0.312 -6.769 -14.540 1.00 0.00 C ATOM 1106 CD PRO A 70 -0.270 -5.496 -13.743 1.00 0.00 C ATOM 0 HA PRO A 70 -0.241 -8.002 -11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.621 -7.614 -14.180 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.299 -8.754 -14.025 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.020 -6.599 -15.564 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.327 -7.162 -14.595 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.502 -4.818 -14.108 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.217 -4.958 -13.793 1.00 0.00 H new ATOM 1114 N ARG A 71 2.119 -8.787 -11.307 1.00 0.00 N ATOM 1115 CA ARG A 71 3.369 -9.091 -10.622 1.00 0.00 C ATOM 1116 C ARG A 71 4.555 -8.973 -11.575 1.00 0.00 C ATOM 1117 O ARG A 71 5.091 -9.977 -12.043 1.00 0.00 O ATOM 1118 CB ARG A 71 3.318 -10.501 -10.027 1.00 0.00 C ATOM 1119 CG ARG A 71 4.220 -10.681 -8.816 1.00 0.00 C ATOM 1120 CD ARG A 71 3.418 -10.968 -7.556 1.00 0.00 C ATOM 1121 NE ARG A 71 3.935 -10.240 -6.400 1.00 0.00 N ATOM 1122 CZ ARG A 71 3.692 -8.952 -6.165 1.00 0.00 C ATOM 1123 NH1 ARG A 71 2.940 -8.248 -7.001 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.202 -8.368 -5.090 1.00 0.00 N ATOM 0 H ARG A 71 1.534 -9.600 -11.499 1.00 0.00 H new ATOM 0 HA ARG A 71 3.499 -8.367 -9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.291 -10.730 -9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.604 -11.221 -10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.916 -11.500 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.818 -9.781 -8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.376 -10.695 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.438 -12.038 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 71 4.516 -10.748 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.544 -8.693 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.757 -7.262 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.780 -8.905 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.016 -7.381 -4.909 1.00 0.00 H new ATOM 1138 N LYS A 72 4.960 -7.738 -11.857 1.00 0.00 N ATOM 1139 CA LYS A 72 6.082 -7.488 -12.754 1.00 0.00 C ATOM 1140 C LYS A 72 6.385 -5.996 -12.842 1.00 0.00 C ATOM 1141 O LYS A 72 7.545 -5.585 -12.809 1.00 0.00 O ATOM 1142 CB LYS A 72 5.784 -8.048 -14.147 1.00 0.00 C ATOM 1143 CG LYS A 72 6.914 -8.888 -14.719 1.00 0.00 C ATOM 1144 CD LYS A 72 6.387 -10.108 -15.461 1.00 0.00 C ATOM 1145 CE LYS A 72 7.124 -11.374 -15.054 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.622 -12.132 -16.235 1.00 0.00 N ATOM 0 H LYS A 72 4.528 -6.896 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 72 6.959 -7.993 -12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.879 -8.654 -14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.578 -7.220 -14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.513 -8.280 -15.397 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.573 -9.209 -13.913 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.322 -10.225 -15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.492 -9.955 -16.535 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.964 -11.114 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.458 -12.009 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.118 -12.988 -15.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.819 -12.403 -16.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.277 -11.535 -16.779 1.00 0.00 H new ATOM 1160 N ASP A 73 5.335 -5.189 -12.955 1.00 0.00 N ATOM 1161 CA ASP A 73 5.490 -3.742 -13.047 1.00 0.00 C ATOM 1162 C ASP A 73 5.217 -3.078 -11.702 1.00 0.00 C ATOM 1163 O ASP A 73 4.764 -1.935 -11.643 1.00 0.00 O ATOM 1164 CB ASP A 73 4.546 -3.175 -14.110 1.00 0.00 C ATOM 1165 CG ASP A 73 4.904 -3.638 -15.508 1.00 0.00 C ATOM 1166 OD1 ASP A 73 6.039 -3.366 -15.952 1.00 0.00 O ATOM 1167 OD2 ASP A 73 4.048 -4.273 -16.159 1.00 0.00 O ATOM 0 H ASP A 73 4.368 -5.512 -12.985 1.00 0.00 H new ATOM 0 HA ASP A 73 6.520 -3.529 -13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.524 -3.476 -13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.574 -2.086 -14.073 1.00 0.00 H new ATOM 1172 N THR A 74 5.495 -3.802 -10.623 1.00 0.00 N ATOM 1173 CA THR A 74 5.279 -3.283 -9.277 1.00 0.00 C ATOM 1174 C THR A 74 6.599 -3.172 -8.520 1.00 0.00 C ATOM 1175 O THR A 74 6.645 -3.358 -7.303 1.00 0.00 O ATOM 1176 CB THR A 74 4.312 -4.186 -8.509 1.00 0.00 C ATOM 1177 OG1 THR A 74 4.197 -3.766 -7.161 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.727 -5.641 -8.504 1.00 0.00 C ATOM 0 H THR A 74 5.870 -4.750 -10.654 1.00 0.00 H new ATOM 0 HA THR A 74 4.844 -2.287 -9.363 1.00 0.00 H new ATOM 0 HB THR A 74 3.359 -4.100 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.077 -3.801 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.998 -6.225 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.775 -6.009 -9.529 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.707 -5.738 -8.037 1.00 0.00 H new ATOM 1186 N HIS A 75 7.669 -2.869 -9.246 1.00 0.00 N ATOM 1187 CA HIS A 75 8.991 -2.735 -8.643 1.00 0.00 C ATOM 1188 C HIS A 75 9.451 -1.281 -8.647 1.00 0.00 C ATOM 1189 O HIS A 75 10.263 -0.875 -7.814 1.00 0.00 O ATOM 1190 CB HIS A 75 10.005 -3.606 -9.385 1.00 0.00 C ATOM 1191 CG HIS A 75 11.137 -4.070 -8.524 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.951 -4.707 -7.315 1.00 0.00 N ATOM 1193 CD2 HIS A 75 12.477 -3.988 -8.700 1.00 0.00 C ATOM 1194 CE1 HIS A 75 12.126 -4.995 -6.785 1.00 0.00 C ATOM 1195 NE2 HIS A 75 13.068 -4.571 -7.606 1.00 0.00 N ATOM 0 H HIS A 75 7.648 -2.711 -10.254 1.00 0.00 H new ATOM 0 HA HIS A 75 8.923 -3.070 -7.608 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.493 -4.475 -9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.407 -3.044 -10.228 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.986 -3.546 -9.544 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.288 -5.493 -5.840 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.072 -4.662 -7.453 1.00 0.00 H new ATOM 1204 N LEU A 76 8.932 -0.501 -9.589 1.00 0.00 N ATOM 1205 CA LEU A 76 9.295 0.908 -9.698 1.00 0.00 C ATOM 1206 C LEU A 76 8.157 1.810 -9.224 1.00 0.00 C ATOM 1207 O LEU A 76 8.116 2.996 -9.553 1.00 0.00 O ATOM 1208 CB LEU A 76 9.662 1.242 -11.145 1.00 0.00 C ATOM 1209 CG LEU A 76 11.159 1.212 -11.454 1.00 0.00 C ATOM 1210 CD1 LEU A 76 11.399 0.749 -12.884 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.778 2.583 -11.225 1.00 0.00 C ATOM 0 H LEU A 76 8.260 -0.819 -10.287 1.00 0.00 H new ATOM 0 HA LEU A 76 10.158 1.087 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.156 0.537 -11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.277 2.234 -11.382 1.00 0.00 H new ATOM 0 HG LEU A 76 11.636 0.502 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.470 0.734 -13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.990 -0.253 -13.015 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.909 1.434 -13.575 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.844 2.543 -11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.297 3.313 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.637 2.877 -10.185 1.00 0.00 H new ATOM 1223 N TYR A 77 7.234 1.245 -8.450 1.00 0.00 N ATOM 1224 CA TYR A 77 6.100 2.003 -7.935 1.00 0.00 C ATOM 1225 C TYR A 77 6.108 2.028 -6.409 1.00 0.00 C ATOM 1226 O TYR A 77 5.754 3.033 -5.793 1.00 0.00 O ATOM 1227 CB TYR A 77 4.788 1.403 -8.440 1.00 0.00 C ATOM 1228 CG TYR A 77 4.568 1.594 -9.924 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.832 2.815 -10.532 1.00 0.00 C ATOM 1230 CD2 TYR A 77 4.098 0.554 -10.716 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.633 2.994 -11.888 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.897 0.725 -12.072 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.166 1.947 -12.654 1.00 0.00 C ATOM 1234 OH TYR A 77 3.968 2.122 -14.004 1.00 0.00 O ATOM 0 H TYR A 77 7.250 0.265 -8.166 1.00 0.00 H new ATOM 0 HA TYR A 77 6.186 3.028 -8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.774 0.337 -8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.958 1.855 -7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.199 3.637 -9.936 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.886 -0.404 -10.264 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.842 3.950 -12.345 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.531 -0.094 -12.674 1.00 0.00 H new ATOM 0 HH TYR A 77 3.638 1.287 -14.397 1.00 0.00 H new ATOM 1244 N ILE A 78 6.514 0.915 -5.805 1.00 0.00 N ATOM 1245 CA ILE A 78 6.568 0.811 -4.352 1.00 0.00 C ATOM 1246 C ILE A 78 7.630 -0.193 -3.914 1.00 0.00 C ATOM 1247 O ILE A 78 7.789 -1.250 -4.525 1.00 0.00 O ATOM 1248 CB ILE A 78 5.202 0.394 -3.768 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.258 0.373 -2.238 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.785 -0.965 -4.308 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.894 0.379 -1.583 1.00 0.00 C ATOM 0 H ILE A 78 6.810 0.073 -6.300 1.00 0.00 H new ATOM 0 HA ILE A 78 6.829 1.798 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 78 4.456 1.128 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.803 -0.514 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.822 1.239 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.819 -1.244 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.706 -0.916 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.531 -1.711 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.011 0.363 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.353 1.279 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.334 -0.501 -1.900 1.00 0.00 H new ATOM 1263 N ALA A 79 8.355 0.145 -2.853 1.00 0.00 N ATOM 1264 CA ALA A 79 9.401 -0.728 -2.334 1.00 0.00 C ATOM 1265 C ALA A 79 9.488 -0.635 -0.811 1.00 0.00 C ATOM 1266 O ALA A 79 9.424 0.455 -0.245 1.00 0.00 O ATOM 1267 CB ALA A 79 10.740 -0.375 -2.963 1.00 0.00 C ATOM 0 H ALA A 79 8.237 1.016 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 79 9.148 -1.755 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.513 -1.034 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.678 -0.497 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.991 0.660 -2.729 1.00 0.00 H new ATOM 1273 N PRO A 80 9.636 -1.782 -0.122 1.00 0.00 N ATOM 1274 CA PRO A 80 9.731 -1.816 1.341 1.00 0.00 C ATOM 1275 C PRO A 80 10.843 -0.916 1.870 1.00 0.00 C ATOM 1276 O PRO A 80 11.991 -1.010 1.435 1.00 0.00 O ATOM 1277 CB PRO A 80 10.041 -3.282 1.651 1.00 0.00 C ATOM 1278 CG PRO A 80 9.534 -4.038 0.473 1.00 0.00 C ATOM 1279 CD PRO A 80 9.723 -3.132 -0.711 1.00 0.00 C ATOM 0 HA PRO A 80 8.818 -1.453 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.111 -3.439 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.549 -3.604 2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.082 -4.971 0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.484 -4.301 0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.685 -3.298 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.954 -3.292 -1.467 1.00 0.00 H new ATOM 1287 N LYS A 81 10.496 -0.045 2.813 1.00 0.00 N ATOM 1288 CA LYS A 81 11.466 0.870 3.403 1.00 0.00 C ATOM 1289 C LYS A 81 11.849 0.421 4.810 1.00 0.00 C ATOM 1290 O LYS A 81 11.140 0.702 5.777 1.00 0.00 O ATOM 1291 CB LYS A 81 10.900 2.291 3.445 1.00 0.00 C ATOM 1292 CG LYS A 81 11.934 3.347 3.797 1.00 0.00 C ATOM 1293 CD LYS A 81 11.833 3.763 5.257 1.00 0.00 C ATOM 1294 CE LYS A 81 13.139 4.358 5.757 1.00 0.00 C ATOM 1295 NZ LYS A 81 13.404 5.697 5.161 1.00 0.00 N ATOM 0 H LYS A 81 9.550 0.046 3.184 1.00 0.00 H new ATOM 0 HA LYS A 81 12.361 0.862 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.466 2.529 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.091 2.329 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.933 2.960 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.796 4.220 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.031 4.492 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.569 2.898 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.106 4.444 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.961 3.684 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.304 6.068 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.461 5.611 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.633 6.348 5.413 1.00 0.00 H new