USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 972 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 59 THR OG1 : rot 5:sc= 1.01 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 146:sc= 0.45 (180deg=-0.0164) USER MOD Set 2.1: A 54 ASN : amide:sc= 1.06 K(o=1,f=-5.8) USER MOD Set 2.2: A 64 TYR OH : rot 95:sc= -0.993 USER MOD Set 2.3: A 70 LYS NZ :NH3+ 145:sc= 0.978 (180deg=0) USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= 0.674 F(o=-0.72,f=0.55) USER MOD Set 3.2: A 35 HIS : no HE2:sc= -0.12 K(o=0.55,f=-1.6) USER MOD Set 4.1: A 6 GLN : amide:sc= -0.474 K(o=-0.95,f=-4.2) USER MOD Set 4.2: A 13 CYS SG : rot 83:sc= -0.474 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.351 (180deg=-0.681) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.131 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0.558 (180deg=0.475) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0775 K(o=-0.077,f=-3.9!) USER MOD Single : A 10 CYS SG : rot 100:sc= 0.289 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= -0.192 (180deg=-0.641) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00544 USER MOD Single : A 36 THR OG1 : rot -42:sc= -0.0393 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.692 USER MOD Single : A 40 ASN : amide:sc= -0.033 K(o=-0.033,f=-5.1!) USER MOD Single : A 43 LYS NZ :NH3+ -110:sc= 1.22 (180deg=0.00225) USER MOD Single : A 44 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 49 THR OG1 : rot -75:sc= 1.33 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.265 X(o=0.27,f=-0.16) USER MOD Single : A 60 HIS : no HD1:sc=-0.00177 X(o=-0.0018,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= -0.0135 (180deg=-1.23) USER MOD Single : A 71 ASN : amide:sc= -0.0829 K(o=-0.083,f=-0.81!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.07 X(o=-0.07,f=0) USER MOD Single : A 75 THR OG1 : rot -18:sc= 0.146 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -129:sc= 0.24 (180deg=0.0945) USER MOD Single : A 86 SER OG : rot 78:sc= 0.893 USER MOD Single : A 87 SER OG : rot 79:sc= 0.609 USER MOD Single : A 90 MET CE :methyl -118:sc= -2.04 (180deg=-4.44!) USER MOD Single : A 99 MET CE :methyl -123:sc= -0.346 (180deg=-2) USER MOD Single : A 102 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.646) USER MOD Single : A 104 THR OG1 : rot 150:sc= 0.383 USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0732) USER MOD Single : A 111 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.12) USER MOD Single : A 112 TYR OH : rot 169:sc= 0.25 USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= 0.444 (180deg=0.355) USER MOD Single : A 115 THR OG1 : rot 88:sc= 0.792 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.486 -1.896 0.038 1.00 0.00 N ATOM 2 CA MET A 1 2.272 -1.522 -1.161 1.00 0.00 C ATOM 3 C MET A 1 3.570 -2.343 -1.219 1.00 0.00 C ATOM 4 O MET A 1 3.728 -3.309 -0.454 1.00 0.00 O ATOM 5 CB MET A 1 2.559 0.009 -1.166 1.00 0.00 C ATOM 6 CG MET A 1 3.502 0.524 -0.061 1.00 0.00 C ATOM 7 SD MET A 1 3.709 2.322 -0.103 1.00 0.00 S ATOM 8 CE MET A 1 2.030 2.903 0.168 1.00 0.00 C ATOM 0 H1 MET A 1 0.533 -2.195 -0.251 1.00 0.00 H new ATOM 0 H2 MET A 1 1.959 -2.678 0.533 1.00 0.00 H new ATOM 0 H3 MET A 1 1.413 -1.077 0.675 1.00 0.00 H new ATOM 0 HA MET A 1 1.692 -1.750 -2.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.986 0.275 -2.133 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.609 0.537 -1.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.109 0.230 0.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.476 0.047 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.044 3.973 0.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.432 2.716 -0.724 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.594 2.374 1.015 1.00 0.00 H new ATOM 18 N ILE A 2 4.479 -1.981 -2.151 1.00 0.00 N ATOM 19 CA ILE A 2 5.790 -2.640 -2.283 1.00 0.00 C ATOM 20 C ILE A 2 6.606 -2.458 -1.000 1.00 0.00 C ATOM 21 O ILE A 2 7.052 -1.360 -0.712 1.00 0.00 O ATOM 22 CB ILE A 2 6.625 -2.080 -3.500 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.819 -2.168 -4.829 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.993 -2.800 -3.634 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.508 -1.546 -6.029 1.00 0.00 C ATOM 0 H ILE A 2 4.324 -1.231 -2.825 1.00 0.00 H new ATOM 0 HA ILE A 2 5.593 -3.697 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 2 6.823 -1.028 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.616 -3.217 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.855 -1.680 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.539 -2.388 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.573 -2.653 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.829 -3.866 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.874 -1.654 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.687 -0.488 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.459 -2.049 -6.203 1.00 0.00 H new ATOM 37 N LYS A 3 6.740 -3.527 -0.223 1.00 0.00 N ATOM 38 CA LYS A 3 7.664 -3.590 0.916 1.00 0.00 C ATOM 39 C LYS A 3 9.110 -3.503 0.393 1.00 0.00 C ATOM 40 O LYS A 3 9.742 -4.523 0.087 1.00 0.00 O ATOM 41 CB LYS A 3 7.424 -4.898 1.708 1.00 0.00 C ATOM 42 CG LYS A 3 5.973 -5.096 2.177 1.00 0.00 C ATOM 43 CD LYS A 3 5.558 -4.099 3.275 1.00 0.00 C ATOM 44 CE LYS A 3 4.078 -4.220 3.650 1.00 0.00 C ATOM 45 NZ LYS A 3 3.719 -3.299 4.760 1.00 0.00 N ATOM 0 H LYS A 3 6.207 -4.386 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 3 7.491 -2.754 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.711 -5.745 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.080 -4.907 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.303 -4.989 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.853 -6.113 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.169 -4.266 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.761 -3.084 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.462 -3.998 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.859 -5.247 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.718 -3.431 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.314 -3.505 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.873 -2.316 4.459 1.00 0.00 H new ATOM 59 N PHE A 4 9.584 -2.260 0.232 1.00 0.00 N ATOM 60 CA PHE A 4 10.901 -1.966 -0.337 1.00 0.00 C ATOM 61 C PHE A 4 11.925 -1.957 0.801 1.00 0.00 C ATOM 62 O PHE A 4 12.162 -0.920 1.449 1.00 0.00 O ATOM 63 CB PHE A 4 10.872 -0.616 -1.113 1.00 0.00 C ATOM 64 CG PHE A 4 12.189 -0.248 -1.807 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.629 -0.965 -2.918 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.985 0.806 -1.350 1.00 0.00 C ATOM 67 CE1 PHE A 4 13.821 -0.647 -3.547 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.176 1.121 -1.979 1.00 0.00 C ATOM 69 CZ PHE A 4 14.590 0.399 -3.078 1.00 0.00 C ATOM 0 H PHE A 4 9.059 -1.426 0.496 1.00 0.00 H new ATOM 0 HA PHE A 4 11.185 -2.732 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.082 -0.660 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.608 0.181 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.031 -1.782 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.666 1.382 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.149 -1.217 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.783 1.934 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.516 0.652 -3.572 1.00 0.00 H new ATOM 79 N TYR A 5 12.473 -3.142 1.088 1.00 0.00 N ATOM 80 CA TYR A 5 13.472 -3.302 2.139 1.00 0.00 C ATOM 81 C TYR A 5 14.817 -2.735 1.680 1.00 0.00 C ATOM 82 O TYR A 5 15.203 -2.862 0.501 1.00 0.00 O ATOM 83 CB TYR A 5 13.605 -4.772 2.560 1.00 0.00 C ATOM 84 CG TYR A 5 12.362 -5.330 3.279 1.00 0.00 C ATOM 85 CD1 TYR A 5 11.318 -5.901 2.564 1.00 0.00 C ATOM 86 CD2 TYR A 5 12.244 -5.295 4.674 1.00 0.00 C ATOM 87 CE1 TYR A 5 10.211 -6.423 3.192 1.00 0.00 C ATOM 88 CE2 TYR A 5 11.134 -5.813 5.309 1.00 0.00 C ATOM 89 CZ TYR A 5 10.120 -6.380 4.559 1.00 0.00 C ATOM 90 OH TYR A 5 9.011 -6.905 5.182 1.00 0.00 O ATOM 0 H TYR A 5 12.237 -4.007 0.601 1.00 0.00 H new ATOM 0 HA TYR A 5 13.143 -2.742 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.803 -5.377 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.469 -4.875 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.376 -5.936 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 5 13.035 -4.855 5.263 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.416 -6.865 2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.058 -5.776 6.386 1.00 0.00 H new ATOM 0 HH TYR A 5 9.099 -6.798 6.152 1.00 0.00 H new ATOM 100 N GLN A 6 15.518 -2.135 2.641 1.00 0.00 N ATOM 101 CA GLN A 6 16.766 -1.404 2.424 1.00 0.00 C ATOM 102 C GLN A 6 17.526 -1.327 3.753 1.00 0.00 C ATOM 103 O GLN A 6 17.024 -1.805 4.773 1.00 0.00 O ATOM 104 CB GLN A 6 16.433 0.021 1.894 1.00 0.00 C ATOM 105 CG GLN A 6 15.621 0.888 2.890 1.00 0.00 C ATOM 106 CD GLN A 6 15.146 2.224 2.329 1.00 0.00 C ATOM 107 OE1 GLN A 6 14.856 2.344 1.145 1.00 0.00 O ATOM 108 NE2 GLN A 6 15.077 3.237 3.178 1.00 0.00 N ATOM 0 H GLN A 6 15.226 -2.144 3.618 1.00 0.00 H new ATOM 0 HA GLN A 6 17.389 -1.912 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.364 0.536 1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.871 -0.070 0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.753 0.319 3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.235 1.076 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.327 3.099 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.774 4.155 2.853 1.00 0.00 H new ATOM 117 N TYR A 7 18.736 -0.737 3.736 1.00 0.00 N ATOM 118 CA TYR A 7 19.476 -0.413 4.971 1.00 0.00 C ATOM 119 C TYR A 7 20.704 0.458 4.641 1.00 0.00 C ATOM 120 O TYR A 7 21.663 -0.025 4.016 1.00 0.00 O ATOM 121 CB TYR A 7 19.906 -1.698 5.740 1.00 0.00 C ATOM 122 CG TYR A 7 20.340 -1.450 7.192 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.451 -0.887 8.113 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.612 -1.794 7.652 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.817 -0.673 9.431 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.981 -1.581 8.970 1.00 0.00 C ATOM 127 CZ TYR A 7 21.079 -1.023 9.854 1.00 0.00 C ATOM 128 OH TYR A 7 21.440 -0.821 11.170 1.00 0.00 O ATOM 0 H TYR A 7 19.223 -0.474 2.879 1.00 0.00 H new ATOM 0 HA TYR A 7 18.807 0.148 5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 7 19.076 -2.404 5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.728 -2.171 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.458 -0.613 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.322 -2.234 6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.115 -0.233 10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.972 -1.851 9.305 1.00 0.00 H new ATOM 0 HH TYR A 7 22.363 -1.122 11.306 1.00 0.00 H new ATOM 138 N LYS A 8 20.613 1.753 5.026 1.00 0.00 N ATOM 139 CA LYS A 8 21.714 2.747 4.966 1.00 0.00 C ATOM 140 C LYS A 8 22.048 3.145 3.492 1.00 0.00 C ATOM 141 O LYS A 8 21.384 2.680 2.553 1.00 0.00 O ATOM 142 CB LYS A 8 22.954 2.230 5.790 1.00 0.00 C ATOM 143 CG LYS A 8 24.030 3.292 6.137 1.00 0.00 C ATOM 144 CD LYS A 8 25.133 2.785 7.101 1.00 0.00 C ATOM 145 CE LYS A 8 24.587 2.381 8.483 1.00 0.00 C ATOM 146 NZ LYS A 8 25.677 2.045 9.436 1.00 0.00 N ATOM 0 H LYS A 8 19.749 2.147 5.397 1.00 0.00 H new ATOM 0 HA LYS A 8 21.391 3.674 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.590 1.793 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.431 1.429 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.498 3.634 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.540 4.157 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.635 1.929 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 8 25.884 3.565 7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.989 3.197 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.924 1.523 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.266 1.779 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.233 1.250 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.296 2.871 9.561 1.00 0.00 H new ATOM 160 N ASN A 9 23.023 4.076 3.316 1.00 0.00 N ATOM 161 CA ASN A 9 23.497 4.575 2.002 1.00 0.00 C ATOM 162 C ASN A 9 23.890 3.419 1.052 1.00 0.00 C ATOM 163 O ASN A 9 24.990 2.860 1.153 1.00 0.00 O ATOM 164 CB ASN A 9 24.716 5.537 2.194 1.00 0.00 C ATOM 165 CG ASN A 9 24.449 6.745 3.110 1.00 0.00 C ATOM 166 OD1 ASN A 9 23.633 6.691 4.032 1.00 0.00 O ATOM 167 ND2 ASN A 9 25.160 7.844 2.878 1.00 0.00 N ATOM 0 H ASN A 9 23.510 4.508 4.101 1.00 0.00 H new ATOM 0 HA ASN A 9 22.670 5.118 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 9 25.550 4.966 2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 9 25.029 5.903 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 9 25.036 8.666 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 9 25.830 7.865 2.109 1.00 0.00 H new ATOM 174 N CYS A 10 22.948 3.042 0.175 1.00 0.00 N ATOM 175 CA CYS A 10 23.159 2.040 -0.880 1.00 0.00 C ATOM 176 C CYS A 10 22.653 2.621 -2.209 1.00 0.00 C ATOM 177 O CYS A 10 21.491 3.033 -2.294 1.00 0.00 O ATOM 178 CB CYS A 10 22.405 0.733 -0.525 1.00 0.00 C ATOM 179 SG CYS A 10 22.909 0.005 1.054 1.00 0.00 S ATOM 0 H CYS A 10 22.005 3.430 0.179 1.00 0.00 H new ATOM 0 HA CYS A 10 24.219 1.801 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 10 21.335 0.939 -0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 10 22.567 0.004 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 10 22.043 0.317 1.972 1.00 0.00 H new ATOM 185 N THR A 11 23.521 2.665 -3.238 1.00 0.00 N ATOM 186 CA THR A 11 23.178 3.258 -4.549 1.00 0.00 C ATOM 187 C THR A 11 22.146 2.391 -5.312 1.00 0.00 C ATOM 188 O THR A 11 21.437 2.896 -6.184 1.00 0.00 O ATOM 189 CB THR A 11 24.444 3.520 -5.433 1.00 0.00 C ATOM 190 OG1 THR A 11 24.070 4.258 -6.617 1.00 0.00 O ATOM 191 CG2 THR A 11 25.168 2.218 -5.834 1.00 0.00 C ATOM 0 H THR A 11 24.470 2.295 -3.188 1.00 0.00 H new ATOM 0 HA THR A 11 22.722 4.226 -4.341 1.00 0.00 H new ATOM 0 HB THR A 11 25.141 4.104 -4.832 1.00 0.00 H new ATOM 0 HG1 THR A 11 24.865 4.421 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.038 2.459 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 11 25.490 1.690 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.488 1.584 -6.403 1.00 0.00 H new ATOM 199 N THR A 12 22.083 1.084 -4.972 1.00 0.00 N ATOM 200 CA THR A 12 21.005 0.188 -5.421 1.00 0.00 C ATOM 201 C THR A 12 19.649 0.702 -4.907 1.00 0.00 C ATOM 202 O THR A 12 18.711 0.868 -5.682 1.00 0.00 O ATOM 203 CB THR A 12 21.236 -1.278 -4.926 1.00 0.00 C ATOM 204 OG1 THR A 12 22.408 -1.828 -5.554 1.00 0.00 O ATOM 205 CG2 THR A 12 20.021 -2.187 -5.193 1.00 0.00 C ATOM 0 H THR A 12 22.777 0.627 -4.381 1.00 0.00 H new ATOM 0 HA THR A 12 21.006 0.181 -6.511 1.00 0.00 H new ATOM 0 HB THR A 12 21.378 -1.237 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.548 -2.745 -5.239 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.233 -3.193 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.149 -1.790 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 12 19.821 -2.222 -6.264 1.00 0.00 H new ATOM 213 N CYS A 13 19.590 0.966 -3.586 1.00 0.00 N ATOM 214 CA CYS A 13 18.389 1.503 -2.916 1.00 0.00 C ATOM 215 C CYS A 13 17.984 2.866 -3.513 1.00 0.00 C ATOM 216 O CYS A 13 16.801 3.129 -3.701 1.00 0.00 O ATOM 217 CB CYS A 13 18.635 1.639 -1.397 1.00 0.00 C ATOM 218 SG CYS A 13 17.309 2.475 -0.498 1.00 0.00 S ATOM 0 H CYS A 13 20.375 0.812 -2.953 1.00 0.00 H new ATOM 0 HA CYS A 13 17.571 0.802 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.774 0.644 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.565 2.185 -1.239 1.00 0.00 H new ATOM 0 HG CYS A 13 16.362 1.625 -0.232 1.00 0.00 H new ATOM 224 N LYS A 14 18.988 3.702 -3.836 1.00 0.00 N ATOM 225 CA LYS A 14 18.772 5.041 -4.421 1.00 0.00 C ATOM 226 C LYS A 14 18.111 4.957 -5.814 1.00 0.00 C ATOM 227 O LYS A 14 17.072 5.576 -6.046 1.00 0.00 O ATOM 228 CB LYS A 14 20.114 5.823 -4.510 1.00 0.00 C ATOM 229 CG LYS A 14 20.734 6.220 -3.145 1.00 0.00 C ATOM 230 CD LYS A 14 19.839 7.191 -2.331 1.00 0.00 C ATOM 231 CE LYS A 14 19.604 8.531 -3.055 1.00 0.00 C ATOM 232 NZ LYS A 14 18.691 9.424 -2.301 1.00 0.00 N ATOM 0 H LYS A 14 19.972 3.470 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 14 18.091 5.578 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.835 5.216 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.951 6.728 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.911 5.319 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.705 6.686 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.878 6.715 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.303 7.382 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.560 9.034 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.187 8.339 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.563 10.313 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.770 8.957 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.100 9.630 -1.367 1.00 0.00 H new ATOM 246 N LYS A 15 18.714 4.162 -6.714 1.00 0.00 N ATOM 247 CA LYS A 15 18.281 4.070 -8.128 1.00 0.00 C ATOM 248 C LYS A 15 16.962 3.290 -8.276 1.00 0.00 C ATOM 249 O LYS A 15 16.132 3.632 -9.119 1.00 0.00 O ATOM 250 CB LYS A 15 19.380 3.409 -8.995 1.00 0.00 C ATOM 251 CG LYS A 15 20.712 4.191 -9.060 1.00 0.00 C ATOM 252 CD LYS A 15 21.746 3.529 -10.004 1.00 0.00 C ATOM 253 CE LYS A 15 21.259 3.471 -11.465 1.00 0.00 C ATOM 254 NZ LYS A 15 22.272 2.885 -12.377 1.00 0.00 N ATOM 0 H LYS A 15 19.511 3.567 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 15 18.111 5.089 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.580 2.411 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.998 3.285 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.516 5.208 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.135 4.265 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.683 4.085 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.957 2.518 -9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.344 2.882 -11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.010 4.477 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.897 2.868 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.138 3.461 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.492 1.915 -12.074 1.00 0.00 H new ATOM 268 N ALA A 16 16.796 2.240 -7.456 1.00 0.00 N ATOM 269 CA ALA A 16 15.579 1.400 -7.454 1.00 0.00 C ATOM 270 C ALA A 16 14.382 2.200 -6.924 1.00 0.00 C ATOM 271 O ALA A 16 13.290 2.158 -7.503 1.00 0.00 O ATOM 272 CB ALA A 16 15.796 0.129 -6.623 1.00 0.00 C ATOM 0 H ALA A 16 17.497 1.947 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 16 15.366 1.098 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.888 -0.474 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.619 -0.446 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.035 0.403 -5.595 1.00 0.00 H new ATOM 278 N ALA A 17 14.618 2.954 -5.831 1.00 0.00 N ATOM 279 CA ALA A 17 13.616 3.873 -5.257 1.00 0.00 C ATOM 280 C ALA A 17 13.255 4.978 -6.252 1.00 0.00 C ATOM 281 O ALA A 17 12.100 5.351 -6.367 1.00 0.00 O ATOM 282 CB ALA A 17 14.126 4.511 -3.962 1.00 0.00 C ATOM 0 H ALA A 17 15.503 2.943 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 17 12.727 3.282 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.366 5.183 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.340 3.731 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.036 5.075 -4.168 1.00 0.00 H new ATOM 288 N LYS A 18 14.277 5.480 -6.968 1.00 0.00 N ATOM 289 CA LYS A 18 14.125 6.546 -7.975 1.00 0.00 C ATOM 290 C LYS A 18 13.324 6.048 -9.192 1.00 0.00 C ATOM 291 O LYS A 18 12.542 6.789 -9.748 1.00 0.00 O ATOM 292 CB LYS A 18 15.523 7.064 -8.431 1.00 0.00 C ATOM 293 CG LYS A 18 15.550 8.148 -9.554 1.00 0.00 C ATOM 294 CD LYS A 18 15.135 9.587 -9.103 1.00 0.00 C ATOM 295 CE LYS A 18 13.611 9.827 -9.022 1.00 0.00 C ATOM 296 NZ LYS A 18 12.931 9.607 -10.332 1.00 0.00 N ATOM 0 H LYS A 18 15.238 5.155 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 18 13.574 7.367 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.035 7.469 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.105 6.208 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.556 8.191 -9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.886 7.831 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.572 9.786 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.566 10.308 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.180 9.160 -8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.424 10.847 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.336 10.430 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.645 9.482 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.337 8.756 -10.276 1.00 0.00 H new ATOM 310 N PHE A 19 13.527 4.777 -9.568 1.00 0.00 N ATOM 311 CA PHE A 19 12.895 4.148 -10.750 1.00 0.00 C ATOM 312 C PHE A 19 11.384 3.950 -10.490 1.00 0.00 C ATOM 313 O PHE A 19 10.528 4.290 -11.330 1.00 0.00 O ATOM 314 CB PHE A 19 13.615 2.797 -11.027 1.00 0.00 C ATOM 315 CG PHE A 19 13.307 2.128 -12.365 1.00 0.00 C ATOM 316 CD1 PHE A 19 13.443 2.828 -13.564 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.935 0.788 -12.430 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.207 2.208 -14.779 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.695 0.173 -13.645 1.00 0.00 C ATOM 320 CZ PHE A 19 12.834 0.882 -14.820 1.00 0.00 C ATOM 0 H PHE A 19 14.142 4.144 -9.057 1.00 0.00 H new ATOM 0 HA PHE A 19 12.993 4.785 -11.629 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.690 2.964 -10.968 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.356 2.101 -10.229 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.736 3.867 -13.544 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.832 0.220 -11.517 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.316 2.765 -15.698 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.398 -0.865 -13.674 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.651 0.400 -15.769 1.00 0.00 H new ATOM 330 N LEU A 20 11.094 3.433 -9.285 1.00 0.00 N ATOM 331 CA LEU A 20 9.728 3.267 -8.765 1.00 0.00 C ATOM 332 C LEU A 20 9.027 4.642 -8.654 1.00 0.00 C ATOM 333 O LEU A 20 7.968 4.854 -9.239 1.00 0.00 O ATOM 334 CB LEU A 20 9.793 2.536 -7.390 1.00 0.00 C ATOM 335 CG LEU A 20 10.214 1.030 -7.457 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.499 0.445 -6.054 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.146 0.198 -8.196 1.00 0.00 C ATOM 0 H LEU A 20 11.813 3.114 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 20 9.137 2.659 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.497 3.065 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.815 2.603 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 20 11.145 0.977 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.788 -0.602 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.309 1.004 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.602 0.520 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.458 -0.846 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.195 0.275 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.029 0.576 -9.211 1.00 0.00 H new ATOM 349 N ASP A 21 9.687 5.581 -7.957 1.00 0.00 N ATOM 350 CA ASP A 21 9.210 6.979 -7.759 1.00 0.00 C ATOM 351 C ASP A 21 9.022 7.726 -9.101 1.00 0.00 C ATOM 352 O ASP A 21 8.140 8.585 -9.224 1.00 0.00 O ATOM 353 CB ASP A 21 10.218 7.743 -6.850 1.00 0.00 C ATOM 354 CG ASP A 21 9.903 9.240 -6.650 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.046 9.575 -5.802 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.528 10.095 -7.325 1.00 0.00 O ATOM 0 H ASP A 21 10.582 5.397 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 21 8.233 6.938 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.245 7.258 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.215 7.650 -7.280 1.00 0.00 H new ATOM 361 N GLU A 22 9.855 7.373 -10.095 1.00 0.00 N ATOM 362 CA GLU A 22 9.818 7.964 -11.447 1.00 0.00 C ATOM 363 C GLU A 22 8.490 7.623 -12.132 1.00 0.00 C ATOM 364 O GLU A 22 7.769 8.509 -12.608 1.00 0.00 O ATOM 365 CB GLU A 22 11.013 7.436 -12.295 1.00 0.00 C ATOM 366 CG GLU A 22 11.129 8.033 -13.704 1.00 0.00 C ATOM 367 CD GLU A 22 11.312 9.563 -13.693 1.00 0.00 C ATOM 368 OE1 GLU A 22 12.399 10.045 -13.280 1.00 0.00 O ATOM 369 OE2 GLU A 22 10.374 10.294 -14.081 1.00 0.00 O ATOM 0 H GLU A 22 10.579 6.664 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 22 9.902 9.047 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.938 7.638 -11.755 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.925 6.353 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.973 7.575 -14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.234 7.783 -14.274 1.00 0.00 H new ATOM 376 N TYR A 23 8.165 6.323 -12.131 1.00 0.00 N ATOM 377 CA TYR A 23 6.898 5.802 -12.686 1.00 0.00 C ATOM 378 C TYR A 23 5.700 6.010 -11.725 1.00 0.00 C ATOM 379 O TYR A 23 4.576 5.598 -12.036 1.00 0.00 O ATOM 380 CB TYR A 23 7.076 4.313 -13.049 1.00 0.00 C ATOM 381 CG TYR A 23 7.906 4.058 -14.322 1.00 0.00 C ATOM 382 CD1 TYR A 23 9.280 4.332 -14.369 1.00 0.00 C ATOM 383 CD2 TYR A 23 7.319 3.514 -15.472 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.026 4.074 -15.507 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.062 3.258 -16.607 1.00 0.00 C ATOM 386 CZ TYR A 23 9.415 3.537 -16.618 1.00 0.00 C ATOM 387 OH TYR A 23 10.157 3.275 -17.753 1.00 0.00 O ATOM 0 H TYR A 23 8.771 5.598 -11.746 1.00 0.00 H new ATOM 0 HA TYR A 23 6.662 6.369 -13.587 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.553 3.803 -12.212 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.091 3.864 -13.177 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.766 4.752 -13.501 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.262 3.290 -15.470 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.083 4.293 -15.523 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.587 2.841 -17.483 1.00 0.00 H new ATOM 0 HH TYR A 23 9.575 2.897 -18.445 1.00 0.00 H new ATOM 397 N GLY A 24 5.952 6.655 -10.563 1.00 0.00 N ATOM 398 CA GLY A 24 4.896 7.007 -9.606 1.00 0.00 C ATOM 399 C GLY A 24 4.280 5.791 -8.923 1.00 0.00 C ATOM 400 O GLY A 24 3.064 5.724 -8.723 1.00 0.00 O ATOM 0 H GLY A 24 6.887 6.941 -10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.308 7.673 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.113 7.561 -10.125 1.00 0.00 H new ATOM 404 N VAL A 25 5.137 4.823 -8.590 1.00 0.00 N ATOM 405 CA VAL A 25 4.749 3.536 -7.993 1.00 0.00 C ATOM 406 C VAL A 25 4.960 3.565 -6.470 1.00 0.00 C ATOM 407 O VAL A 25 5.999 4.040 -5.990 1.00 0.00 O ATOM 408 CB VAL A 25 5.577 2.366 -8.635 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.174 0.989 -8.068 1.00 0.00 C ATOM 410 CG2 VAL A 25 5.436 2.392 -10.170 1.00 0.00 C ATOM 0 H VAL A 25 6.144 4.911 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 25 3.691 3.366 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 25 6.624 2.522 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.773 0.211 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.345 0.974 -6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.118 0.807 -8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.015 1.576 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.387 2.276 -10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.807 3.343 -10.553 1.00 0.00 H new ATOM 420 N SER A 26 3.964 3.053 -5.732 1.00 0.00 N ATOM 421 CA SER A 26 3.971 3.037 -4.265 1.00 0.00 C ATOM 422 C SER A 26 4.949 1.979 -3.714 1.00 0.00 C ATOM 423 O SER A 26 4.706 0.777 -3.831 1.00 0.00 O ATOM 424 CB SER A 26 2.544 2.775 -3.745 1.00 0.00 C ATOM 425 OG SER A 26 1.647 3.784 -4.173 1.00 0.00 O ATOM 0 H SER A 26 3.127 2.637 -6.140 1.00 0.00 H new ATOM 0 HA SER A 26 4.313 4.010 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.198 1.804 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.554 2.732 -2.656 1.00 0.00 H new ATOM 0 HG SER A 26 0.750 3.591 -3.830 1.00 0.00 H new ATOM 431 N TYR A 27 6.062 2.448 -3.133 1.00 0.00 N ATOM 432 CA TYR A 27 7.021 1.595 -2.409 1.00 0.00 C ATOM 433 C TYR A 27 7.147 2.080 -0.950 1.00 0.00 C ATOM 434 O TYR A 27 6.841 3.237 -0.632 1.00 0.00 O ATOM 435 CB TYR A 27 8.400 1.563 -3.123 1.00 0.00 C ATOM 436 CG TYR A 27 9.157 2.902 -3.170 1.00 0.00 C ATOM 437 CD1 TYR A 27 8.849 3.875 -4.122 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.183 3.188 -2.262 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.531 5.075 -4.166 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.864 4.388 -2.306 1.00 0.00 C ATOM 441 CZ TYR A 27 10.534 5.329 -3.258 1.00 0.00 C ATOM 442 OH TYR A 27 11.215 6.532 -3.304 1.00 0.00 O ATOM 0 H TYR A 27 6.325 3.433 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 27 6.647 0.571 -2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.030 0.827 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.252 1.214 -4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.063 3.686 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.447 2.456 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.278 5.814 -4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.653 4.589 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 27 11.891 6.553 -2.594 1.00 0.00 H new ATOM 452 N GLU A 28 7.629 1.191 -0.084 1.00 0.00 N ATOM 453 CA GLU A 28 7.692 1.395 1.369 1.00 0.00 C ATOM 454 C GLU A 28 9.151 1.243 1.822 1.00 0.00 C ATOM 455 O GLU A 28 9.622 0.112 1.938 1.00 0.00 O ATOM 456 CB GLU A 28 6.770 0.355 2.073 1.00 0.00 C ATOM 457 CG GLU A 28 6.707 0.465 3.608 1.00 0.00 C ATOM 458 CD GLU A 28 5.698 -0.510 4.246 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.534 -0.579 3.767 1.00 0.00 O ATOM 460 OE2 GLU A 28 6.047 -1.219 5.218 1.00 0.00 O ATOM 0 H GLU A 28 7.997 0.286 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 28 7.344 2.393 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.761 0.461 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.112 -0.646 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.698 0.274 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.439 1.485 3.882 1.00 0.00 H new ATOM 467 N PRO A 29 9.909 2.374 2.014 1.00 0.00 N ATOM 468 CA PRO A 29 11.321 2.335 2.463 1.00 0.00 C ATOM 469 C PRO A 29 11.439 1.895 3.937 1.00 0.00 C ATOM 470 O PRO A 29 11.268 2.705 4.857 1.00 0.00 O ATOM 471 CB PRO A 29 11.828 3.801 2.244 1.00 0.00 C ATOM 472 CG PRO A 29 10.758 4.467 1.431 1.00 0.00 C ATOM 473 CD PRO A 29 9.469 3.774 1.799 1.00 0.00 C ATOM 0 HA PRO A 29 11.915 1.607 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.977 4.313 3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.785 3.813 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.706 5.533 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.962 4.373 0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.020 4.201 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.727 3.849 1.004 1.00 0.00 H new ATOM 481 N ILE A 30 11.691 0.591 4.150 1.00 0.00 N ATOM 482 CA ILE A 30 11.781 -0.017 5.496 1.00 0.00 C ATOM 483 C ILE A 30 13.129 -0.731 5.671 1.00 0.00 C ATOM 484 O ILE A 30 13.639 -1.354 4.739 1.00 0.00 O ATOM 485 CB ILE A 30 10.575 -1.011 5.770 1.00 0.00 C ATOM 486 CG1 ILE A 30 10.264 -1.875 4.495 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.321 -0.239 6.260 1.00 0.00 C ATOM 488 CD1 ILE A 30 9.095 -2.837 4.618 1.00 0.00 C ATOM 0 H ILE A 30 11.839 -0.076 3.393 1.00 0.00 H new ATOM 0 HA ILE A 30 11.714 0.785 6.231 1.00 0.00 H new ATOM 0 HB ILE A 30 10.868 -1.695 6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.069 -1.201 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.156 -2.447 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.508 -0.942 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.557 0.289 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.016 0.480 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.971 -3.381 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.289 -3.544 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.185 -2.278 4.836 1.00 0.00 H new ATOM 500 N ASP A 31 13.710 -0.603 6.875 1.00 0.00 N ATOM 501 CA ASP A 31 14.992 -1.239 7.225 1.00 0.00 C ATOM 502 C ASP A 31 14.814 -2.760 7.312 1.00 0.00 C ATOM 503 O ASP A 31 13.885 -3.240 7.961 1.00 0.00 O ATOM 504 CB ASP A 31 15.536 -0.707 8.567 1.00 0.00 C ATOM 505 CG ASP A 31 15.770 0.811 8.574 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.829 1.569 8.908 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.891 1.257 8.243 1.00 0.00 O ATOM 0 H ASP A 31 13.304 -0.055 7.634 1.00 0.00 H new ATOM 0 HA ASP A 31 15.711 -0.995 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.835 -0.962 9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.474 -1.212 8.796 1.00 0.00 H new ATOM 512 N ILE A 32 15.732 -3.494 6.674 1.00 0.00 N ATOM 513 CA ILE A 32 15.666 -4.962 6.549 1.00 0.00 C ATOM 514 C ILE A 32 15.916 -5.663 7.902 1.00 0.00 C ATOM 515 O ILE A 32 15.363 -6.730 8.161 1.00 0.00 O ATOM 516 CB ILE A 32 16.708 -5.472 5.477 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.532 -6.999 5.173 1.00 0.00 C ATOM 518 CG2 ILE A 32 18.158 -5.154 5.899 1.00 0.00 C ATOM 519 CD1 ILE A 32 15.276 -7.343 4.402 1.00 0.00 C ATOM 0 H ILE A 32 16.551 -3.086 6.224 1.00 0.00 H new ATOM 0 HA ILE A 32 14.658 -5.216 6.221 1.00 0.00 H new ATOM 0 HB ILE A 32 16.504 -4.929 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.397 -7.346 4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.526 -7.546 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.847 -5.519 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.277 -4.076 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.376 -5.642 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.235 -8.419 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.402 -7.030 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.286 -6.827 3.442 1.00 0.00 H new ATOM 531 N VAL A 33 16.768 -5.048 8.751 1.00 0.00 N ATOM 532 CA VAL A 33 17.202 -5.644 10.041 1.00 0.00 C ATOM 533 C VAL A 33 16.466 -5.019 11.243 1.00 0.00 C ATOM 534 O VAL A 33 16.172 -5.703 12.230 1.00 0.00 O ATOM 535 CB VAL A 33 18.764 -5.524 10.225 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.227 -4.057 10.291 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.272 -6.327 11.450 1.00 0.00 C ATOM 0 H VAL A 33 17.174 -4.131 8.567 1.00 0.00 H new ATOM 0 HA VAL A 33 16.938 -6.701 10.007 1.00 0.00 H new ATOM 0 HB VAL A 33 19.213 -5.969 9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.309 -4.022 10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.954 -3.547 9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.747 -3.561 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.353 -6.214 11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.795 -5.951 12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.026 -7.381 11.321 1.00 0.00 H new ATOM 547 N GLN A 34 16.173 -3.713 11.152 1.00 0.00 N ATOM 548 CA GLN A 34 15.484 -2.968 12.223 1.00 0.00 C ATOM 549 C GLN A 34 13.981 -3.309 12.199 1.00 0.00 C ATOM 550 O GLN A 34 13.335 -3.445 13.247 1.00 0.00 O ATOM 551 CB GLN A 34 15.713 -1.447 12.033 1.00 0.00 C ATOM 552 CG GLN A 34 15.230 -0.555 13.192 1.00 0.00 C ATOM 553 CD GLN A 34 15.297 0.938 12.857 1.00 0.00 C ATOM 554 OE1 GLN A 34 16.442 1.559 13.098 1.00 0.00 O flip ATOM 555 NE2 GLN A 34 14.335 1.519 12.358 1.00 0.00 N flip ATOM 0 H GLN A 34 16.405 -3.143 10.338 1.00 0.00 H new ATOM 0 HA GLN A 34 15.889 -3.255 13.194 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.779 -1.273 11.883 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.208 -1.132 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.204 -0.820 13.446 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.838 -0.753 14.075 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.467 1.012 12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.405 2.508 12.117 1.00 0.00 H new ATOM 564 N HIS A 35 13.448 -3.453 10.973 1.00 0.00 N ATOM 565 CA HIS A 35 12.046 -3.829 10.723 1.00 0.00 C ATOM 566 C HIS A 35 12.024 -5.175 9.961 1.00 0.00 C ATOM 567 O HIS A 35 11.437 -5.275 8.876 1.00 0.00 O ATOM 568 CB HIS A 35 11.312 -2.712 9.903 1.00 0.00 C ATOM 569 CG HIS A 35 11.328 -1.337 10.525 1.00 0.00 C ATOM 570 ND1 HIS A 35 10.213 -0.735 11.076 1.00 0.00 N ATOM 571 CD2 HIS A 35 12.328 -0.432 10.651 1.00 0.00 C ATOM 572 CE1 HIS A 35 10.533 0.469 11.512 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.810 0.675 11.266 1.00 0.00 N ATOM 0 H HIS A 35 13.985 -3.310 10.118 1.00 0.00 H new ATOM 0 HA HIS A 35 11.520 -3.938 11.671 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.768 -2.651 8.915 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.275 -3.014 9.757 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.286 -1.156 11.136 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.350 -0.561 10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.861 1.167 11.990 1.00 0.00 H new ATOM 582 N THR A 36 12.711 -6.204 10.515 1.00 0.00 N ATOM 583 CA THR A 36 12.679 -7.567 9.947 1.00 0.00 C ATOM 584 C THR A 36 11.280 -8.176 10.193 1.00 0.00 C ATOM 585 O THR A 36 10.814 -8.167 11.341 1.00 0.00 O ATOM 586 CB THR A 36 13.769 -8.523 10.576 1.00 0.00 C ATOM 587 OG1 THR A 36 14.992 -7.819 10.754 1.00 0.00 O ATOM 588 CG2 THR A 36 14.044 -9.756 9.681 1.00 0.00 C ATOM 0 H THR A 36 13.290 -6.113 11.350 1.00 0.00 H new ATOM 0 HA THR A 36 12.898 -7.481 8.883 1.00 0.00 H new ATOM 0 HB THR A 36 13.377 -8.865 11.534 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.164 -7.258 9.969 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.799 -10.386 10.151 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.124 -10.326 9.554 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.403 -9.425 8.706 1.00 0.00 H new ATOM 596 N PRO A 37 10.571 -8.677 9.140 1.00 0.00 N ATOM 597 CA PRO A 37 9.256 -9.325 9.315 1.00 0.00 C ATOM 598 C PRO A 37 9.395 -10.739 9.923 1.00 0.00 C ATOM 599 O PRO A 37 10.505 -11.300 9.973 1.00 0.00 O ATOM 600 CB PRO A 37 8.696 -9.346 7.876 1.00 0.00 C ATOM 601 CG PRO A 37 9.904 -9.463 7.011 1.00 0.00 C ATOM 602 CD PRO A 37 10.986 -8.659 7.708 1.00 0.00 C ATOM 0 HA PRO A 37 8.600 -8.805 10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.017 -10.185 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.135 -8.438 7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.203 -10.505 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.709 -9.074 6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.970 -9.108 7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.042 -7.642 7.320 1.00 0.00 H new ATOM 610 N THR A 38 8.271 -11.291 10.405 1.00 0.00 N ATOM 611 CA THR A 38 8.237 -12.621 11.041 1.00 0.00 C ATOM 612 C THR A 38 8.397 -13.747 10.003 1.00 0.00 C ATOM 613 O THR A 38 8.314 -13.514 8.786 1.00 0.00 O ATOM 614 CB THR A 38 6.903 -12.842 11.832 1.00 0.00 C ATOM 615 OG1 THR A 38 5.777 -12.686 10.949 1.00 0.00 O ATOM 616 CG2 THR A 38 6.763 -11.881 13.028 1.00 0.00 C ATOM 0 H THR A 38 7.361 -10.831 10.366 1.00 0.00 H new ATOM 0 HA THR A 38 9.076 -12.655 11.736 1.00 0.00 H new ATOM 0 HB THR A 38 6.928 -13.857 12.229 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.950 -12.668 11.474 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.822 -12.075 13.543 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.593 -12.036 13.718 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.775 -10.851 12.671 1.00 0.00 H new ATOM 624 N ILE A 39 8.597 -14.973 10.521 1.00 0.00 N ATOM 625 CA ILE A 39 8.595 -16.221 9.720 1.00 0.00 C ATOM 626 C ILE A 39 7.262 -16.344 8.950 1.00 0.00 C ATOM 627 O ILE A 39 7.223 -16.827 7.816 1.00 0.00 O ATOM 628 CB ILE A 39 8.779 -17.480 10.659 1.00 0.00 C ATOM 629 CG1 ILE A 39 9.995 -17.287 11.623 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.936 -18.786 9.839 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.107 -18.317 12.733 1.00 0.00 C ATOM 0 H ILE A 39 8.766 -15.131 11.514 1.00 0.00 H new ATOM 0 HA ILE A 39 9.424 -16.183 9.013 1.00 0.00 H new ATOM 0 HB ILE A 39 7.874 -17.571 11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.912 -17.309 11.035 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.928 -16.296 12.073 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.060 -19.629 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.047 -18.941 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.811 -18.708 9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.981 -18.097 13.347 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.211 -18.283 13.352 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.210 -19.311 12.298 1.00 0.00 H new ATOM 643 N ASN A 40 6.188 -15.847 9.605 1.00 0.00 N ATOM 644 CA ASN A 40 4.807 -15.840 9.082 1.00 0.00 C ATOM 645 C ASN A 40 4.740 -14.995 7.796 1.00 0.00 C ATOM 646 O ASN A 40 4.206 -15.433 6.770 1.00 0.00 O ATOM 647 CB ASN A 40 3.809 -15.242 10.129 1.00 0.00 C ATOM 648 CG ASN A 40 3.940 -15.784 11.561 1.00 0.00 C ATOM 649 OD1 ASN A 40 5.032 -16.104 12.029 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.833 -15.864 12.285 1.00 0.00 N ATOM 0 H ASN A 40 6.262 -15.431 10.533 1.00 0.00 H new ATOM 0 HA ASN A 40 4.524 -16.872 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.944 -14.161 10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.793 -15.428 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.877 -16.196 13.249 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.937 -15.594 11.879 1.00 0.00 H new ATOM 657 N GLU A 41 5.313 -13.782 7.872 1.00 0.00 N ATOM 658 CA GLU A 41 5.316 -12.824 6.757 1.00 0.00 C ATOM 659 C GLU A 41 6.113 -13.367 5.564 1.00 0.00 C ATOM 660 O GLU A 41 5.630 -13.334 4.429 1.00 0.00 O ATOM 661 CB GLU A 41 5.915 -11.478 7.207 1.00 0.00 C ATOM 662 CG GLU A 41 5.118 -10.744 8.295 1.00 0.00 C ATOM 663 CD GLU A 41 3.677 -10.419 7.876 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.482 -9.823 6.792 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.728 -10.754 8.617 1.00 0.00 O ATOM 0 H GLU A 41 5.786 -13.440 8.708 1.00 0.00 H new ATOM 0 HA GLU A 41 4.282 -12.674 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.926 -11.652 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.999 -10.826 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.098 -11.356 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.633 -9.818 8.550 1.00 0.00 H new ATOM 672 N PHE A 42 7.327 -13.880 5.850 1.00 0.00 N ATOM 673 CA PHE A 42 8.205 -14.462 4.826 1.00 0.00 C ATOM 674 C PHE A 42 7.494 -15.628 4.087 1.00 0.00 C ATOM 675 O PHE A 42 7.373 -15.591 2.864 1.00 0.00 O ATOM 676 CB PHE A 42 9.557 -14.924 5.432 1.00 0.00 C ATOM 677 CG PHE A 42 10.603 -13.824 5.671 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.220 -13.187 4.588 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.004 -13.464 6.956 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.193 -12.222 4.788 1.00 0.00 C ATOM 681 CE2 PHE A 42 11.985 -12.506 7.152 1.00 0.00 C ATOM 682 CZ PHE A 42 12.580 -11.887 6.070 1.00 0.00 C ATOM 0 H PHE A 42 7.720 -13.901 6.791 1.00 0.00 H new ATOM 0 HA PHE A 42 8.425 -13.683 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.356 -15.418 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.992 -15.672 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.933 -13.452 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.544 -13.938 7.810 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.649 -11.731 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.286 -12.242 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.346 -11.142 6.227 1.00 0.00 H new ATOM 692 N LYS A 43 6.954 -16.616 4.834 1.00 0.00 N ATOM 693 CA LYS A 43 6.308 -17.806 4.212 1.00 0.00 C ATOM 694 C LYS A 43 5.087 -17.412 3.359 1.00 0.00 C ATOM 695 O LYS A 43 4.835 -18.032 2.316 1.00 0.00 O ATOM 696 CB LYS A 43 5.916 -18.874 5.267 1.00 0.00 C ATOM 697 CG LYS A 43 4.863 -18.449 6.309 1.00 0.00 C ATOM 698 CD LYS A 43 4.586 -19.543 7.365 1.00 0.00 C ATOM 699 CE LYS A 43 5.843 -19.952 8.150 1.00 0.00 C ATOM 700 NZ LYS A 43 5.587 -21.061 9.100 1.00 0.00 N ATOM 0 H LYS A 43 6.949 -16.620 5.854 1.00 0.00 H new ATOM 0 HA LYS A 43 7.052 -18.251 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.542 -19.753 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.818 -19.179 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.202 -17.543 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.933 -18.201 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.830 -19.184 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.172 -20.421 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.623 -20.251 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.221 -19.089 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.637 -20.702 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.641 -21.457 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.303 -21.804 8.968 1.00 0.00 H new ATOM 714 N THR A 44 4.361 -16.362 3.798 1.00 0.00 N ATOM 715 CA THR A 44 3.225 -15.816 3.041 1.00 0.00 C ATOM 716 C THR A 44 3.701 -15.270 1.678 1.00 0.00 C ATOM 717 O THR A 44 3.262 -15.750 0.631 1.00 0.00 O ATOM 718 CB THR A 44 2.484 -14.689 3.831 1.00 0.00 C ATOM 719 OG1 THR A 44 2.031 -15.203 5.095 1.00 0.00 O ATOM 720 CG2 THR A 44 1.274 -14.123 3.050 1.00 0.00 C ATOM 0 H THR A 44 4.546 -15.877 4.676 1.00 0.00 H new ATOM 0 HA THR A 44 2.521 -16.632 2.882 1.00 0.00 H new ATOM 0 HB THR A 44 3.195 -13.876 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.785 -15.248 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.792 -13.343 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.616 -13.703 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.560 -14.923 2.855 1.00 0.00 H new ATOM 728 N ILE A 45 4.664 -14.322 1.714 1.00 0.00 N ATOM 729 CA ILE A 45 5.115 -13.596 0.512 1.00 0.00 C ATOM 730 C ILE A 45 5.775 -14.543 -0.507 1.00 0.00 C ATOM 731 O ILE A 45 5.720 -14.284 -1.680 1.00 0.00 O ATOM 732 CB ILE A 45 6.081 -12.384 0.840 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.481 -12.870 1.367 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.407 -11.387 1.822 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.453 -11.768 1.773 1.00 0.00 C ATOM 0 H ILE A 45 5.144 -14.043 2.569 1.00 0.00 H new ATOM 0 HA ILE A 45 4.213 -13.175 0.068 1.00 0.00 H new ATOM 0 HB ILE A 45 6.270 -11.853 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.319 -13.521 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.950 -13.476 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.091 -10.564 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.494 -10.995 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.163 -11.901 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.385 -12.214 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.655 -11.127 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.015 -11.173 2.575 1.00 0.00 H new ATOM 747 N ILE A 46 6.372 -15.650 -0.038 1.00 0.00 N ATOM 748 CA ILE A 46 7.025 -16.653 -0.916 1.00 0.00 C ATOM 749 C ILE A 46 5.996 -17.606 -1.546 1.00 0.00 C ATOM 750 O ILE A 46 6.152 -18.021 -2.696 1.00 0.00 O ATOM 751 CB ILE A 46 8.109 -17.443 -0.104 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.198 -16.444 0.388 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.748 -18.605 -0.921 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.960 -16.900 1.589 1.00 0.00 C ATOM 0 H ILE A 46 6.420 -15.881 0.954 1.00 0.00 H new ATOM 0 HA ILE A 46 7.515 -16.128 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 46 7.618 -17.912 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.901 -16.263 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.722 -15.490 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.491 -19.116 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.973 -19.312 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.229 -18.202 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.696 -16.144 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.272 -17.053 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.469 -17.837 1.363 1.00 0.00 H new ATOM 766 N ALA A 47 4.941 -17.942 -0.790 1.00 0.00 N ATOM 767 CA ALA A 47 3.821 -18.758 -1.316 1.00 0.00 C ATOM 768 C ALA A 47 2.943 -17.937 -2.290 1.00 0.00 C ATOM 769 O ALA A 47 2.253 -18.504 -3.144 1.00 0.00 O ATOM 770 CB ALA A 47 2.985 -19.321 -0.156 1.00 0.00 C ATOM 0 H ALA A 47 4.834 -17.665 0.186 1.00 0.00 H new ATOM 0 HA ALA A 47 4.237 -19.594 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.165 -19.919 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.615 -19.946 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.581 -18.498 0.434 1.00 0.00 H new ATOM 776 N ASN A 48 2.981 -16.598 -2.143 1.00 0.00 N ATOM 777 CA ASN A 48 2.197 -15.658 -2.971 1.00 0.00 C ATOM 778 C ASN A 48 2.969 -15.254 -4.249 1.00 0.00 C ATOM 779 O ASN A 48 2.405 -15.282 -5.349 1.00 0.00 O ATOM 780 CB ASN A 48 1.813 -14.406 -2.131 1.00 0.00 C ATOM 781 CG ASN A 48 0.734 -14.640 -1.050 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.675 -15.832 -0.465 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.039 -13.736 -0.726 1.00 0.00 N flip ATOM 0 H ASN A 48 3.560 -16.135 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 48 1.284 -16.160 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.712 -14.024 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.462 -13.628 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.019 -12.827 -1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.737 -13.897 0.001 1.00 0.00 H new ATOM 790 N THR A 49 4.256 -14.874 -4.100 1.00 0.00 N ATOM 791 CA THR A 49 5.110 -14.471 -5.241 1.00 0.00 C ATOM 792 C THR A 49 5.599 -15.695 -6.016 1.00 0.00 C ATOM 793 O THR A 49 5.645 -15.692 -7.255 1.00 0.00 O ATOM 794 CB THR A 49 6.366 -13.641 -4.797 1.00 0.00 C ATOM 795 OG1 THR A 49 7.202 -14.433 -3.933 1.00 0.00 O ATOM 796 CG2 THR A 49 5.990 -12.334 -4.080 1.00 0.00 C ATOM 0 H THR A 49 4.729 -14.837 -3.197 1.00 0.00 H new ATOM 0 HA THR A 49 4.482 -13.843 -5.872 1.00 0.00 H new ATOM 0 HB THR A 49 6.905 -13.375 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.790 -14.495 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.897 -11.801 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.397 -11.710 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.409 -12.563 -3.187 1.00 0.00 H new ATOM 804 N GLY A 50 5.942 -16.747 -5.265 1.00 0.00 N ATOM 805 CA GLY A 50 6.628 -17.911 -5.807 1.00 0.00 C ATOM 806 C GLY A 50 8.105 -17.629 -6.033 1.00 0.00 C ATOM 807 O GLY A 50 8.692 -18.105 -7.016 1.00 0.00 O ATOM 0 H GLY A 50 5.749 -16.810 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.517 -18.752 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.164 -18.203 -6.749 1.00 0.00 H new ATOM 811 N VAL A 51 8.706 -16.826 -5.127 1.00 0.00 N ATOM 812 CA VAL A 51 10.135 -16.476 -5.202 1.00 0.00 C ATOM 813 C VAL A 51 10.982 -17.615 -4.620 1.00 0.00 C ATOM 814 O VAL A 51 10.488 -18.422 -3.819 1.00 0.00 O ATOM 815 CB VAL A 51 10.449 -15.117 -4.448 1.00 0.00 C ATOM 816 CG1 VAL A 51 10.252 -15.235 -2.917 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.862 -14.560 -4.793 1.00 0.00 C ATOM 0 H VAL A 51 8.218 -16.409 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 51 10.390 -16.333 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 51 9.719 -14.395 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.479 -14.279 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.219 -15.508 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.919 -16.001 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.028 -13.629 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.620 -15.288 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.928 -14.373 -5.865 1.00 0.00 H new ATOM 827 N GLU A 52 12.239 -17.695 -5.065 1.00 0.00 N ATOM 828 CA GLU A 52 13.237 -18.584 -4.477 1.00 0.00 C ATOM 829 C GLU A 52 13.567 -18.083 -3.049 1.00 0.00 C ATOM 830 O GLU A 52 14.010 -16.939 -2.885 1.00 0.00 O ATOM 831 CB GLU A 52 14.504 -18.593 -5.372 1.00 0.00 C ATOM 832 CG GLU A 52 15.581 -19.613 -4.970 1.00 0.00 C ATOM 833 CD GLU A 52 16.859 -19.491 -5.817 1.00 0.00 C ATOM 834 OE1 GLU A 52 16.876 -19.994 -6.964 1.00 0.00 O ATOM 835 OE2 GLU A 52 17.842 -18.872 -5.348 1.00 0.00 O ATOM 0 H GLU A 52 12.591 -17.142 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 52 12.856 -19.603 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.202 -18.793 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.946 -17.597 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.832 -19.475 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.177 -20.620 -5.071 1.00 0.00 H new ATOM 842 N ILE A 53 13.319 -18.925 -2.030 1.00 0.00 N ATOM 843 CA ILE A 53 13.608 -18.587 -0.615 1.00 0.00 C ATOM 844 C ILE A 53 15.150 -18.455 -0.426 1.00 0.00 C ATOM 845 O ILE A 53 15.627 -17.665 0.394 1.00 0.00 O ATOM 846 CB ILE A 53 12.956 -19.669 0.363 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.737 -19.136 1.823 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.736 -20.999 0.368 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.961 -18.970 2.695 1.00 0.00 C ATOM 0 H ILE A 53 12.916 -19.853 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 53 13.157 -17.629 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 53 11.966 -19.866 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.237 -18.170 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.052 -19.815 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.253 -21.701 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.748 -21.418 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.759 -20.819 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.662 -18.595 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.458 -19.933 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.646 -18.262 2.229 1.00 0.00 H new ATOM 861 N ASN A 54 15.909 -19.203 -1.253 1.00 0.00 N ATOM 862 CA ASN A 54 17.381 -19.225 -1.207 1.00 0.00 C ATOM 863 C ASN A 54 17.996 -17.851 -1.574 1.00 0.00 C ATOM 864 O ASN A 54 18.925 -17.398 -0.899 1.00 0.00 O ATOM 865 CB ASN A 54 17.920 -20.349 -2.132 1.00 0.00 C ATOM 866 CG ASN A 54 19.448 -20.372 -2.234 1.00 0.00 C ATOM 867 OD1 ASN A 54 20.125 -20.988 -1.418 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.994 -19.701 -3.237 1.00 0.00 N ATOM 0 H ASN A 54 15.515 -19.809 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 54 17.684 -19.436 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.574 -21.313 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.499 -20.222 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 54 21.008 -19.686 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.401 -19.199 -3.898 1.00 0.00 H new ATOM 875 N LYS A 55 17.470 -17.188 -2.637 1.00 0.00 N ATOM 876 CA LYS A 55 18.013 -15.876 -3.104 1.00 0.00 C ATOM 877 C LYS A 55 17.678 -14.728 -2.130 1.00 0.00 C ATOM 878 O LYS A 55 18.251 -13.635 -2.242 1.00 0.00 O ATOM 879 CB LYS A 55 17.526 -15.506 -4.534 1.00 0.00 C ATOM 880 CG LYS A 55 16.009 -15.237 -4.673 1.00 0.00 C ATOM 881 CD LYS A 55 15.622 -14.652 -6.055 1.00 0.00 C ATOM 882 CE LYS A 55 16.072 -15.531 -7.244 1.00 0.00 C ATOM 883 NZ LYS A 55 15.604 -14.997 -8.552 1.00 0.00 N ATOM 0 H LYS A 55 16.680 -17.532 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 55 19.095 -16.003 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 55 18.066 -14.619 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.797 -16.315 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.464 -16.168 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.695 -14.546 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.540 -14.524 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.064 -13.661 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.160 -15.600 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.690 -16.543 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.930 -15.620 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.565 -14.956 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.989 -14.042 -8.695 1.00 0.00 H new ATOM 897 N LEU A 56 16.739 -14.978 -1.189 1.00 0.00 N ATOM 898 CA LEU A 56 16.394 -14.006 -0.135 1.00 0.00 C ATOM 899 C LEU A 56 17.547 -13.862 0.866 1.00 0.00 C ATOM 900 O LEU A 56 17.682 -12.827 1.503 1.00 0.00 O ATOM 901 CB LEU A 56 15.109 -14.417 0.609 1.00 0.00 C ATOM 902 CG LEU A 56 13.828 -14.579 -0.261 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.607 -14.875 0.624 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.582 -13.344 -1.143 1.00 0.00 C ATOM 0 H LEU A 56 16.208 -15.847 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 56 16.219 -13.046 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.297 -15.361 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.907 -13.673 1.379 1.00 0.00 H new ATOM 0 HG LEU A 56 13.984 -15.428 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.722 -14.985 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.775 -15.798 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.457 -14.053 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.680 -13.494 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.459 -12.464 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.433 -13.197 -1.808 1.00 0.00 H new ATOM 916 N PHE A 57 18.358 -14.933 1.010 1.00 0.00 N ATOM 917 CA PHE A 57 19.617 -14.888 1.787 1.00 0.00 C ATOM 918 C PHE A 57 20.588 -13.869 1.177 1.00 0.00 C ATOM 919 O PHE A 57 20.456 -13.497 0.011 1.00 0.00 O ATOM 920 CB PHE A 57 20.284 -16.286 1.874 1.00 0.00 C ATOM 921 CG PHE A 57 19.607 -17.240 2.859 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.507 -18.005 2.481 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.070 -17.357 4.177 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.894 -18.855 3.379 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.453 -18.210 5.074 1.00 0.00 C ATOM 926 CZ PHE A 57 18.369 -18.958 4.676 1.00 0.00 C ATOM 0 H PHE A 57 18.162 -15.844 0.596 1.00 0.00 H new ATOM 0 HA PHE A 57 19.369 -14.575 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.280 -16.741 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.327 -16.162 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.129 -17.932 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.920 -16.773 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 57 17.042 -19.441 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.822 -18.289 6.086 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.888 -19.626 5.375 1.00 0.00 H new ATOM 936 N ASN A 58 21.610 -13.493 1.963 1.00 0.00 N ATOM 937 CA ASN A 58 22.534 -12.367 1.669 1.00 0.00 C ATOM 938 C ASN A 58 23.596 -12.731 0.573 1.00 0.00 C ATOM 939 O ASN A 58 24.688 -12.136 0.529 1.00 0.00 O ATOM 940 CB ASN A 58 23.196 -11.944 3.022 1.00 0.00 C ATOM 941 CG ASN A 58 23.887 -10.573 2.999 1.00 0.00 C ATOM 942 OD1 ASN A 58 25.100 -10.461 2.786 1.00 0.00 O ATOM 943 ND2 ASN A 58 23.108 -9.518 3.210 1.00 0.00 N ATOM 0 H ASN A 58 21.828 -13.967 2.839 1.00 0.00 H new ATOM 0 HA ASN A 58 21.978 -11.531 1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 58 22.431 -11.937 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.929 -12.700 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.507 -8.579 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 58 22.111 -9.647 3.383 1.00 0.00 H new ATOM 950 N THR A 59 23.233 -13.679 -0.344 1.00 0.00 N ATOM 951 CA THR A 59 24.112 -14.227 -1.408 1.00 0.00 C ATOM 952 C THR A 59 25.468 -14.681 -0.827 1.00 0.00 C ATOM 953 O THR A 59 25.544 -14.962 0.363 1.00 0.00 O ATOM 954 CB THR A 59 24.248 -13.233 -2.634 1.00 0.00 C ATOM 955 OG1 THR A 59 24.665 -11.920 -2.212 1.00 0.00 O ATOM 956 CG2 THR A 59 22.920 -13.114 -3.412 1.00 0.00 C ATOM 0 H THR A 59 22.299 -14.088 -0.358 1.00 0.00 H new ATOM 0 HA THR A 59 23.638 -15.121 -1.814 1.00 0.00 H new ATOM 0 HB THR A 59 25.012 -13.653 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 59 24.859 -11.931 -1.251 1.00 0.00 H new ATOM 0 HG21 THR A 59 23.048 -12.425 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 59 22.632 -14.094 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.141 -12.739 -2.748 1.00 0.00 H new ATOM 964 N HIS A 60 26.532 -14.776 -1.637 1.00 0.00 N ATOM 965 CA HIS A 60 27.887 -15.114 -1.120 1.00 0.00 C ATOM 966 C HIS A 60 28.585 -13.853 -0.544 1.00 0.00 C ATOM 967 O HIS A 60 29.781 -13.624 -0.763 1.00 0.00 O ATOM 968 CB HIS A 60 28.721 -15.796 -2.240 1.00 0.00 C ATOM 969 CG HIS A 60 28.278 -17.200 -2.569 1.00 0.00 C ATOM 970 ND1 HIS A 60 29.132 -18.277 -2.539 1.00 0.00 N ATOM 971 CD2 HIS A 60 27.072 -17.696 -2.941 1.00 0.00 C ATOM 972 CE1 HIS A 60 28.482 -19.368 -2.874 1.00 0.00 C ATOM 973 NE2 HIS A 60 27.227 -19.042 -3.114 1.00 0.00 N ATOM 0 H HIS A 60 26.493 -14.627 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 60 27.797 -15.823 -0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.664 -15.187 -3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 60 29.768 -15.818 -1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 60 26.160 -17.133 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 60 28.903 -20.360 -2.941 1.00 0.00 H new ATOM 0 HE2 HIS A 60 26.489 -19.692 -3.386 1.00 0.00 H new ATOM 982 N GLY A 61 27.820 -13.071 0.255 1.00 0.00 N ATOM 983 CA GLY A 61 28.312 -11.858 0.896 1.00 0.00 C ATOM 984 C GLY A 61 28.929 -12.154 2.254 1.00 0.00 C ATOM 985 O GLY A 61 28.361 -11.784 3.293 1.00 0.00 O ATOM 0 H GLY A 61 26.843 -13.277 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 61 29.054 -11.382 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 61 27.492 -11.150 1.015 1.00 0.00 H new ATOM 989 N ALA A 62 30.074 -12.877 2.211 1.00 0.00 N ATOM 990 CA ALA A 62 30.919 -13.229 3.380 1.00 0.00 C ATOM 991 C ALA A 62 30.257 -14.270 4.319 1.00 0.00 C ATOM 992 O ALA A 62 30.659 -15.435 4.346 1.00 0.00 O ATOM 993 CB ALA A 62 31.366 -11.973 4.159 1.00 0.00 C ATOM 0 H ALA A 62 30.447 -13.243 1.335 1.00 0.00 H new ATOM 0 HA ALA A 62 31.810 -13.707 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 62 31.982 -12.271 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 62 31.943 -11.323 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 62 30.488 -11.437 4.519 1.00 0.00 H new ATOM 999 N LYS A 63 29.222 -13.832 5.051 1.00 0.00 N ATOM 1000 CA LYS A 63 28.622 -14.587 6.167 1.00 0.00 C ATOM 1001 C LYS A 63 27.987 -15.918 5.726 1.00 0.00 C ATOM 1002 O LYS A 63 28.088 -16.893 6.431 1.00 0.00 O ATOM 1003 CB LYS A 63 27.583 -13.711 6.889 1.00 0.00 C ATOM 1004 CG LYS A 63 28.149 -12.358 7.405 1.00 0.00 C ATOM 1005 CD LYS A 63 27.043 -11.331 7.750 1.00 0.00 C ATOM 1006 CE LYS A 63 26.173 -10.995 6.527 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.202 -9.910 6.812 1.00 0.00 N ATOM 0 H LYS A 63 28.771 -12.933 4.884 1.00 0.00 H new ATOM 0 HA LYS A 63 29.432 -14.844 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.755 -13.511 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.175 -14.268 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.758 -12.539 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.808 -11.933 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.413 -11.729 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.501 -10.419 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.814 -10.698 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.635 -11.888 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.245 -10.225 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.229 -9.677 7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.450 -9.067 6.256 1.00 0.00 H new ATOM 1021 N TYR A 64 27.344 -15.944 4.555 1.00 0.00 N ATOM 1022 CA TYR A 64 26.636 -17.148 4.028 1.00 0.00 C ATOM 1023 C TYR A 64 27.531 -18.418 4.018 1.00 0.00 C ATOM 1024 O TYR A 64 27.051 -19.537 4.267 1.00 0.00 O ATOM 1025 CB TYR A 64 26.125 -16.825 2.613 1.00 0.00 C ATOM 1026 CG TYR A 64 25.105 -17.809 2.009 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.864 -18.013 2.615 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.368 -18.497 0.816 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.932 -18.867 2.060 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.434 -19.354 0.263 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.218 -19.533 0.889 1.00 0.00 C ATOM 1032 OH TYR A 64 22.284 -20.377 0.337 1.00 0.00 O ATOM 0 H TYR A 64 27.291 -15.137 3.933 1.00 0.00 H new ATOM 0 HA TYR A 64 25.803 -17.379 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.673 -15.834 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.984 -16.771 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.629 -17.494 3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.317 -18.355 0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.978 -19.013 2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.655 -19.880 -0.654 1.00 0.00 H new ATOM 0 HH TYR A 64 21.761 -19.892 -0.335 1.00 0.00 H new ATOM 1042 N ARG A 65 28.842 -18.224 3.755 1.00 0.00 N ATOM 1043 CA ARG A 65 29.847 -19.317 3.763 1.00 0.00 C ATOM 1044 C ARG A 65 30.566 -19.375 5.127 1.00 0.00 C ATOM 1045 O ARG A 65 31.027 -20.444 5.552 1.00 0.00 O ATOM 1046 CB ARG A 65 30.863 -19.150 2.577 1.00 0.00 C ATOM 1047 CG ARG A 65 31.863 -17.947 2.662 1.00 0.00 C ATOM 1048 CD ARG A 65 33.176 -18.280 3.417 1.00 0.00 C ATOM 1049 NE ARG A 65 34.006 -17.092 3.704 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.721 -16.898 4.831 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.714 -17.811 5.808 1.00 0.00 N ATOM 1052 NH2 ARG A 65 35.453 -15.807 4.974 1.00 0.00 N ATOM 0 H ARG A 65 29.235 -17.310 3.532 1.00 0.00 H new ATOM 0 HA ARG A 65 29.332 -20.267 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.444 -20.069 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.293 -19.052 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 65 32.108 -17.618 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.371 -17.111 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.931 -18.778 4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 65 33.758 -18.986 2.824 1.00 0.00 H new ATOM 0 HE ARG A 65 34.041 -16.361 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.164 -18.664 5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 65 35.258 -17.654 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 65 35.478 -15.109 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.993 -15.663 5.828 1.00 0.00 H new ATOM 1066 N GLU A 66 30.661 -18.202 5.793 1.00 0.00 N ATOM 1067 CA GLU A 66 31.332 -18.040 7.103 1.00 0.00 C ATOM 1068 C GLU A 66 30.621 -18.881 8.179 1.00 0.00 C ATOM 1069 O GLU A 66 31.265 -19.530 9.006 1.00 0.00 O ATOM 1070 CB GLU A 66 31.337 -16.539 7.517 1.00 0.00 C ATOM 1071 CG GLU A 66 32.123 -16.200 8.801 1.00 0.00 C ATOM 1072 CD GLU A 66 33.645 -16.378 8.648 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.317 -15.434 8.183 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.170 -17.470 8.963 1.00 0.00 O ATOM 0 H GLU A 66 30.270 -17.332 5.432 1.00 0.00 H new ATOM 0 HA GLU A 66 32.361 -18.388 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.752 -15.956 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.305 -16.214 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.912 -15.170 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.770 -16.835 9.613 1.00 0.00 H new ATOM 1081 N LEU A 67 29.284 -18.843 8.143 1.00 0.00 N ATOM 1082 CA LEU A 67 28.413 -19.633 9.019 1.00 0.00 C ATOM 1083 C LEU A 67 28.309 -21.066 8.458 1.00 0.00 C ATOM 1084 O LEU A 67 28.076 -22.020 9.209 1.00 0.00 O ATOM 1085 CB LEU A 67 26.980 -18.998 9.110 1.00 0.00 C ATOM 1086 CG LEU A 67 26.872 -17.434 9.205 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.417 -16.981 9.464 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.839 -16.826 10.238 1.00 0.00 C ATOM 0 H LEU A 67 28.768 -18.251 7.492 1.00 0.00 H new ATOM 0 HA LEU A 67 28.841 -19.649 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.416 -19.319 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.482 -19.421 9.983 1.00 0.00 H new ATOM 0 HG LEU A 67 27.178 -17.049 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.380 -15.893 9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.779 -17.322 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.065 -17.408 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.717 -15.743 10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.620 -17.233 11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.865 -17.071 9.964 1.00 0.00 H new ATOM 1100 N ASP A 68 28.490 -21.167 7.110 1.00 0.00 N ATOM 1101 CA ASP A 68 28.366 -22.414 6.326 1.00 0.00 C ATOM 1102 C ASP A 68 26.899 -22.868 6.353 1.00 0.00 C ATOM 1103 O ASP A 68 26.572 -24.036 6.623 1.00 0.00 O ATOM 1104 CB ASP A 68 29.390 -23.494 6.831 1.00 0.00 C ATOM 1105 CG ASP A 68 29.524 -24.744 5.942 1.00 0.00 C ATOM 1106 OD1 ASP A 68 29.609 -24.605 4.700 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.578 -25.875 6.481 1.00 0.00 O ATOM 0 H ASP A 68 28.731 -20.361 6.533 1.00 0.00 H new ATOM 0 HA ASP A 68 28.630 -22.247 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.370 -23.026 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.095 -23.810 7.831 1.00 0.00 H new ATOM 1112 N LEU A 69 26.009 -21.887 6.058 1.00 0.00 N ATOM 1113 CA LEU A 69 24.563 -22.102 6.036 1.00 0.00 C ATOM 1114 C LEU A 69 24.172 -23.065 4.922 1.00 0.00 C ATOM 1115 O LEU A 69 23.395 -23.949 5.159 1.00 0.00 O ATOM 1116 CB LEU A 69 23.757 -20.785 5.860 1.00 0.00 C ATOM 1117 CG LEU A 69 23.829 -19.751 7.022 1.00 0.00 C ATOM 1118 CD1 LEU A 69 22.969 -18.508 6.701 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.406 -20.381 8.370 1.00 0.00 C ATOM 0 H LEU A 69 26.285 -20.932 5.831 1.00 0.00 H new ATOM 0 HA LEU A 69 24.312 -22.527 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.102 -20.296 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.710 -21.047 5.704 1.00 0.00 H new ATOM 0 HG LEU A 69 24.867 -19.435 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.033 -17.798 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.335 -18.038 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.931 -18.810 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.469 -19.630 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.381 -20.745 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.070 -21.212 8.607 1.00 0.00 H new ATOM 1131 N LYS A 70 24.721 -22.891 3.711 1.00 0.00 N ATOM 1132 CA LYS A 70 24.309 -23.670 2.509 1.00 0.00 C ATOM 1133 C LYS A 70 24.351 -25.205 2.764 1.00 0.00 C ATOM 1134 O LYS A 70 23.451 -25.964 2.341 1.00 0.00 O ATOM 1135 CB LYS A 70 25.215 -23.297 1.316 1.00 0.00 C ATOM 1136 CG LYS A 70 24.731 -23.826 -0.054 1.00 0.00 C ATOM 1137 CD LYS A 70 23.332 -23.301 -0.446 1.00 0.00 C ATOM 1138 CE LYS A 70 22.924 -23.697 -1.874 1.00 0.00 C ATOM 1139 NZ LYS A 70 21.614 -23.119 -2.264 1.00 0.00 N ATOM 0 H LYS A 70 25.460 -22.213 3.526 1.00 0.00 H new ATOM 0 HA LYS A 70 23.275 -23.412 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.294 -22.211 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.217 -23.681 1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.449 -23.538 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.710 -24.916 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.594 -23.687 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.319 -22.215 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.689 -23.363 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.876 -24.783 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.628 -22.879 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.861 -23.813 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.434 -22.259 -1.707 1.00 0.00 H new ATOM 1153 N ASN A 71 25.387 -25.609 3.513 1.00 0.00 N ATOM 1154 CA ASN A 71 25.633 -27.005 3.920 1.00 0.00 C ATOM 1155 C ASN A 71 24.484 -27.531 4.820 1.00 0.00 C ATOM 1156 O ASN A 71 24.069 -28.693 4.685 1.00 0.00 O ATOM 1157 CB ASN A 71 26.997 -27.059 4.650 1.00 0.00 C ATOM 1158 CG ASN A 71 27.536 -28.460 4.994 1.00 0.00 C ATOM 1159 OD1 ASN A 71 26.793 -29.419 5.189 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.850 -28.570 5.123 1.00 0.00 N ATOM 0 H ASN A 71 26.094 -24.962 3.862 1.00 0.00 H new ATOM 0 HA ASN A 71 25.663 -27.652 3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 71 27.736 -26.552 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 71 26.912 -26.489 5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.263 -29.464 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.448 -27.761 4.956 1.00 0.00 H new ATOM 1167 N LYS A 72 23.972 -26.680 5.736 1.00 0.00 N ATOM 1168 CA LYS A 72 22.808 -27.040 6.579 1.00 0.00 C ATOM 1169 C LYS A 72 21.484 -26.804 5.814 1.00 0.00 C ATOM 1170 O LYS A 72 20.533 -27.536 6.038 1.00 0.00 O ATOM 1171 CB LYS A 72 22.822 -26.278 7.952 1.00 0.00 C ATOM 1172 CG LYS A 72 22.542 -24.768 7.885 1.00 0.00 C ATOM 1173 CD LYS A 72 22.660 -24.048 9.252 1.00 0.00 C ATOM 1174 CE LYS A 72 21.472 -24.310 10.186 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.616 -23.644 11.509 1.00 0.00 N ATOM 0 H LYS A 72 24.342 -25.746 5.911 1.00 0.00 H new ATOM 0 HA LYS A 72 22.882 -28.103 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.081 -26.736 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.796 -26.427 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.238 -24.310 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.539 -24.611 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.577 -24.370 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.749 -22.975 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.557 -23.962 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.364 -25.384 10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.785 -23.856 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.473 -23.994 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.691 -22.616 11.374 1.00 0.00 H new ATOM 1189 N LEU A 73 21.451 -25.834 4.857 1.00 0.00 N ATOM 1190 CA LEU A 73 20.199 -25.402 4.171 1.00 0.00 C ATOM 1191 C LEU A 73 19.639 -26.512 3.286 1.00 0.00 C ATOM 1192 O LEU A 73 18.419 -26.698 3.203 1.00 0.00 O ATOM 1193 CB LEU A 73 20.384 -24.105 3.320 1.00 0.00 C ATOM 1194 CG LEU A 73 20.726 -22.786 4.089 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.688 -21.550 3.163 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.834 -22.592 5.326 1.00 0.00 C ATOM 0 H LEU A 73 22.283 -25.334 4.542 1.00 0.00 H new ATOM 0 HA LEU A 73 19.490 -25.178 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.176 -24.288 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.467 -23.938 2.755 1.00 0.00 H new ATOM 0 HG LEU A 73 21.751 -22.890 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.931 -20.657 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.415 -21.674 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.691 -21.446 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.106 -21.664 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.790 -22.545 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.973 -23.430 6.010 1.00 0.00 H new ATOM 1208 N GLN A 74 20.553 -27.239 2.628 1.00 0.00 N ATOM 1209 CA GLN A 74 20.198 -28.365 1.740 1.00 0.00 C ATOM 1210 C GLN A 74 19.507 -29.520 2.507 1.00 0.00 C ATOM 1211 O GLN A 74 18.696 -30.254 1.926 1.00 0.00 O ATOM 1212 CB GLN A 74 21.465 -28.878 1.009 1.00 0.00 C ATOM 1213 CG GLN A 74 22.559 -29.417 1.945 1.00 0.00 C ATOM 1214 CD GLN A 74 23.774 -29.965 1.201 1.00 0.00 C ATOM 1215 OE1 GLN A 74 23.828 -31.145 0.852 1.00 0.00 O ATOM 1216 NE2 GLN A 74 24.765 -29.114 0.972 1.00 0.00 N ATOM 0 H GLN A 74 21.556 -27.067 2.693 1.00 0.00 H new ATOM 0 HA GLN A 74 19.480 -27.996 1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 74 21.176 -29.667 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 74 21.881 -28.066 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 74 22.881 -28.619 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 74 22.138 -30.205 2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.684 -28.144 1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 74 25.608 -29.430 0.492 1.00 0.00 H new ATOM 1225 N THR A 75 19.818 -29.663 3.818 1.00 0.00 N ATOM 1226 CA THR A 75 19.320 -30.789 4.636 1.00 0.00 C ATOM 1227 C THR A 75 18.197 -30.356 5.610 1.00 0.00 C ATOM 1228 O THR A 75 17.478 -31.215 6.135 1.00 0.00 O ATOM 1229 CB THR A 75 20.497 -31.521 5.391 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.021 -32.696 6.086 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.235 -30.610 6.389 1.00 0.00 C ATOM 0 H THR A 75 20.412 -29.010 4.329 1.00 0.00 H new ATOM 0 HA THR A 75 18.876 -31.507 3.947 1.00 0.00 H new ATOM 0 HB THR A 75 21.207 -31.810 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.047 -32.645 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.032 -31.173 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.663 -29.760 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.533 -30.252 7.142 1.00 0.00 H new ATOM 1239 N LEU A 76 18.034 -29.030 5.858 1.00 0.00 N ATOM 1240 CA LEU A 76 16.882 -28.516 6.638 1.00 0.00 C ATOM 1241 C LEU A 76 15.746 -28.055 5.711 1.00 0.00 C ATOM 1242 O LEU A 76 15.930 -27.933 4.491 1.00 0.00 O ATOM 1243 CB LEU A 76 17.300 -27.410 7.670 1.00 0.00 C ATOM 1244 CG LEU A 76 18.054 -26.116 7.190 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.213 -25.193 6.304 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.609 -25.332 8.395 1.00 0.00 C ATOM 0 H LEU A 76 18.677 -28.308 5.533 1.00 0.00 H new ATOM 0 HA LEU A 76 16.499 -29.346 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.392 -27.084 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 76 17.929 -27.890 8.419 1.00 0.00 H new ATOM 0 HG LEU A 76 18.874 -26.470 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.806 -24.325 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 16.901 -25.732 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.332 -24.864 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.127 -24.440 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.787 -25.039 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.306 -25.961 8.949 1.00 0.00 H new ATOM 1258 N SER A 77 14.583 -27.772 6.316 1.00 0.00 N ATOM 1259 CA SER A 77 13.365 -27.366 5.596 1.00 0.00 C ATOM 1260 C SER A 77 13.408 -25.873 5.232 1.00 0.00 C ATOM 1261 O SER A 77 14.179 -25.107 5.816 1.00 0.00 O ATOM 1262 CB SER A 77 12.143 -27.669 6.484 1.00 0.00 C ATOM 1263 OG SER A 77 12.148 -29.026 6.889 1.00 0.00 O ATOM 0 H SER A 77 14.459 -27.819 7.327 1.00 0.00 H new ATOM 0 HA SER A 77 13.295 -27.927 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.154 -27.022 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.226 -27.450 5.937 1.00 0.00 H new ATOM 0 HG SER A 77 11.367 -29.202 7.454 1.00 0.00 H new ATOM 1269 N ASP A 78 12.564 -25.458 4.275 1.00 0.00 N ATOM 1270 CA ASP A 78 12.472 -24.043 3.860 1.00 0.00 C ATOM 1271 C ASP A 78 11.974 -23.162 5.014 1.00 0.00 C ATOM 1272 O ASP A 78 12.313 -21.985 5.078 1.00 0.00 O ATOM 1273 CB ASP A 78 11.570 -23.886 2.616 1.00 0.00 C ATOM 1274 CG ASP A 78 12.104 -24.651 1.390 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.292 -24.467 1.039 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.359 -25.456 0.790 1.00 0.00 O ATOM 0 H ASP A 78 11.933 -26.081 3.771 1.00 0.00 H new ATOM 0 HA ASP A 78 13.474 -23.709 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.568 -24.243 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.482 -22.828 2.368 1.00 0.00 H new ATOM 1281 N ASP A 79 11.202 -23.769 5.941 1.00 0.00 N ATOM 1282 CA ASP A 79 10.699 -23.090 7.155 1.00 0.00 C ATOM 1283 C ASP A 79 11.858 -22.676 8.088 1.00 0.00 C ATOM 1284 O ASP A 79 11.815 -21.622 8.719 1.00 0.00 O ATOM 1285 CB ASP A 79 9.699 -24.004 7.908 1.00 0.00 C ATOM 1286 CG ASP A 79 8.879 -23.254 8.977 1.00 0.00 C ATOM 1287 OD1 ASP A 79 7.800 -22.726 8.635 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.297 -23.192 10.158 1.00 0.00 O ATOM 0 H ASP A 79 10.910 -24.744 5.869 1.00 0.00 H new ATOM 0 HA ASP A 79 10.182 -22.183 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.018 -24.457 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.247 -24.817 8.384 1.00 0.00 H new ATOM 1293 N GLU A 80 12.898 -23.522 8.144 1.00 0.00 N ATOM 1294 CA GLU A 80 14.100 -23.288 8.971 1.00 0.00 C ATOM 1295 C GLU A 80 15.009 -22.218 8.335 1.00 0.00 C ATOM 1296 O GLU A 80 15.684 -21.444 9.044 1.00 0.00 O ATOM 1297 CB GLU A 80 14.833 -24.629 9.178 1.00 0.00 C ATOM 1298 CG GLU A 80 13.969 -25.699 9.874 1.00 0.00 C ATOM 1299 CD GLU A 80 14.686 -27.042 10.051 1.00 0.00 C ATOM 1300 OE1 GLU A 80 15.655 -27.105 10.838 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.298 -28.040 9.397 1.00 0.00 O ATOM 0 H GLU A 80 12.932 -24.394 7.615 1.00 0.00 H new ATOM 0 HA GLU A 80 13.807 -22.900 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.159 -25.009 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.731 -24.456 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.663 -25.328 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.060 -25.855 9.293 1.00 0.00 H new ATOM 1308 N LYS A 81 14.986 -22.158 6.988 1.00 0.00 N ATOM 1309 CA LYS A 81 15.631 -21.074 6.221 1.00 0.00 C ATOM 1310 C LYS A 81 14.967 -19.721 6.568 1.00 0.00 C ATOM 1311 O LYS A 81 15.647 -18.702 6.757 1.00 0.00 O ATOM 1312 CB LYS A 81 15.510 -21.331 4.699 1.00 0.00 C ATOM 1313 CG LYS A 81 16.127 -22.641 4.183 1.00 0.00 C ATOM 1314 CD LYS A 81 16.043 -22.771 2.647 1.00 0.00 C ATOM 1315 CE LYS A 81 16.614 -24.098 2.127 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.849 -25.280 2.617 1.00 0.00 N ATOM 0 H LYS A 81 14.523 -22.855 6.405 1.00 0.00 H new ATOM 0 HA LYS A 81 16.687 -21.046 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.453 -21.321 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.979 -20.500 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.171 -22.693 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.615 -23.486 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.002 -22.683 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.584 -21.944 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.606 -24.091 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.655 -24.189 2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.506 -25.972 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.167 -24.976 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.340 -25.717 1.823 1.00 0.00 H new ATOM 1330 N LEU A 82 13.622 -19.755 6.656 1.00 0.00 N ATOM 1331 CA LEU A 82 12.791 -18.598 7.043 1.00 0.00 C ATOM 1332 C LEU A 82 13.144 -18.121 8.457 1.00 0.00 C ATOM 1333 O LEU A 82 13.224 -16.917 8.697 1.00 0.00 O ATOM 1334 CB LEU A 82 11.289 -18.976 6.987 1.00 0.00 C ATOM 1335 CG LEU A 82 10.731 -19.362 5.585 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.311 -19.947 5.675 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.763 -18.164 4.650 1.00 0.00 C ATOM 0 H LEU A 82 13.077 -20.595 6.458 1.00 0.00 H new ATOM 0 HA LEU A 82 12.990 -17.790 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.120 -19.812 7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.709 -18.135 7.367 1.00 0.00 H new ATOM 0 HG LEU A 82 11.376 -20.140 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.959 -20.203 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.325 -20.843 6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.641 -19.210 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.369 -18.453 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.152 -17.362 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.790 -17.817 4.538 1.00 0.00 H new ATOM 1349 N GLU A 83 13.350 -19.092 9.380 1.00 0.00 N ATOM 1350 CA GLU A 83 13.748 -18.801 10.774 1.00 0.00 C ATOM 1351 C GLU A 83 15.064 -18.002 10.810 1.00 0.00 C ATOM 1352 O GLU A 83 15.166 -17.012 11.526 1.00 0.00 O ATOM 1353 CB GLU A 83 13.893 -20.101 11.617 1.00 0.00 C ATOM 1354 CG GLU A 83 12.604 -20.934 11.741 1.00 0.00 C ATOM 1355 CD GLU A 83 12.739 -22.126 12.702 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.199 -23.208 12.278 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.394 -21.987 13.893 1.00 0.00 O ATOM 0 H GLU A 83 13.246 -20.087 9.180 1.00 0.00 H new ATOM 0 HA GLU A 83 12.953 -18.200 11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.670 -20.722 11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.234 -19.833 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.795 -20.289 12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.321 -21.302 10.755 1.00 0.00 H new ATOM 1364 N LEU A 84 16.046 -18.431 9.996 1.00 0.00 N ATOM 1365 CA LEU A 84 17.358 -17.746 9.882 1.00 0.00 C ATOM 1366 C LEU A 84 17.199 -16.287 9.376 1.00 0.00 C ATOM 1367 O LEU A 84 17.790 -15.352 9.945 1.00 0.00 O ATOM 1368 CB LEU A 84 18.293 -18.559 8.950 1.00 0.00 C ATOM 1369 CG LEU A 84 18.660 -19.993 9.466 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.336 -20.834 8.371 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.547 -19.923 10.731 1.00 0.00 C ATOM 0 H LEU A 84 15.959 -19.255 9.401 1.00 0.00 H new ATOM 0 HA LEU A 84 17.805 -17.692 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.817 -18.651 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.214 -17.995 8.803 1.00 0.00 H new ATOM 0 HG LEU A 84 17.726 -20.488 9.734 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.575 -21.821 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.660 -20.937 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.252 -20.341 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.785 -20.933 11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.470 -19.391 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.013 -19.396 11.521 1.00 0.00 H new ATOM 1383 N LEU A 85 16.359 -16.109 8.333 1.00 0.00 N ATOM 1384 CA LEU A 85 16.076 -14.781 7.735 1.00 0.00 C ATOM 1385 C LEU A 85 15.336 -13.849 8.728 1.00 0.00 C ATOM 1386 O LEU A 85 15.581 -12.642 8.770 1.00 0.00 O ATOM 1387 CB LEU A 85 15.224 -14.933 6.442 1.00 0.00 C ATOM 1388 CG LEU A 85 15.895 -15.681 5.247 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.927 -15.789 4.049 1.00 0.00 C ATOM 1390 CD2 LEU A 85 17.218 -15.004 4.828 1.00 0.00 C ATOM 0 H LEU A 85 15.859 -16.876 7.882 1.00 0.00 H new ATOM 0 HA LEU A 85 17.037 -14.330 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.304 -15.458 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.938 -13.937 6.103 1.00 0.00 H new ATOM 0 HG LEU A 85 16.133 -16.690 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.419 -16.314 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.036 -16.340 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.642 -14.790 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.658 -15.551 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.020 -13.976 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.911 -15.007 5.670 1.00 0.00 H new ATOM 1402 N SER A 86 14.425 -14.435 9.522 1.00 0.00 N ATOM 1403 CA SER A 86 13.583 -13.696 10.482 1.00 0.00 C ATOM 1404 C SER A 86 14.379 -13.308 11.736 1.00 0.00 C ATOM 1405 O SER A 86 14.122 -12.266 12.349 1.00 0.00 O ATOM 1406 CB SER A 86 12.367 -14.553 10.864 1.00 0.00 C ATOM 1407 OG SER A 86 11.584 -14.863 9.728 1.00 0.00 O ATOM 0 H SER A 86 14.250 -15.440 9.517 1.00 0.00 H new ATOM 0 HA SER A 86 13.243 -12.775 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.703 -15.474 11.340 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.758 -14.020 11.595 1.00 0.00 H new ATOM 0 HG SER A 86 12.013 -15.585 9.222 1.00 0.00 H new ATOM 1413 N SER A 87 15.337 -14.171 12.109 1.00 0.00 N ATOM 1414 CA SER A 87 16.228 -13.936 13.252 1.00 0.00 C ATOM 1415 C SER A 87 17.259 -12.858 12.920 1.00 0.00 C ATOM 1416 O SER A 87 17.658 -12.087 13.803 1.00 0.00 O ATOM 1417 CB SER A 87 16.945 -15.239 13.675 1.00 0.00 C ATOM 1418 OG SER A 87 16.026 -16.195 14.167 1.00 0.00 O ATOM 0 H SER A 87 15.514 -15.051 11.625 1.00 0.00 H new ATOM 0 HA SER A 87 15.615 -13.593 14.085 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.483 -15.654 12.823 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.687 -15.016 14.442 1.00 0.00 H new ATOM 0 HG SER A 87 15.577 -16.635 13.415 1.00 0.00 H new ATOM 1424 N ASP A 88 17.692 -12.809 11.642 1.00 0.00 N ATOM 1425 CA ASP A 88 18.754 -11.892 11.218 1.00 0.00 C ATOM 1426 C ASP A 88 18.391 -11.221 9.877 1.00 0.00 C ATOM 1427 O ASP A 88 18.372 -11.882 8.833 1.00 0.00 O ATOM 1428 CB ASP A 88 20.082 -12.680 11.103 1.00 0.00 C ATOM 1429 CG ASP A 88 21.322 -11.799 11.251 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.569 -10.961 10.377 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.056 -11.932 12.252 1.00 0.00 O ATOM 0 H ASP A 88 17.320 -13.394 10.894 1.00 0.00 H new ATOM 0 HA ASP A 88 18.870 -11.100 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.103 -13.457 11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.115 -13.183 10.137 1.00 0.00 H new ATOM 1436 N GLY A 89 18.121 -9.901 9.921 1.00 0.00 N ATOM 1437 CA GLY A 89 17.835 -9.116 8.717 1.00 0.00 C ATOM 1438 C GLY A 89 19.056 -8.881 7.827 1.00 0.00 C ATOM 1439 O GLY A 89 18.910 -8.558 6.648 1.00 0.00 O ATOM 0 H GLY A 89 18.097 -9.360 10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.067 -9.627 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.422 -8.152 9.013 1.00 0.00 H new ATOM 1443 N MET A 90 20.267 -9.034 8.396 1.00 0.00 N ATOM 1444 CA MET A 90 21.526 -8.952 7.626 1.00 0.00 C ATOM 1445 C MET A 90 21.786 -10.272 6.877 1.00 0.00 C ATOM 1446 O MET A 90 22.571 -10.301 5.926 1.00 0.00 O ATOM 1447 CB MET A 90 22.722 -8.614 8.551 1.00 0.00 C ATOM 1448 CG MET A 90 22.611 -7.317 9.373 1.00 0.00 C ATOM 1449 SD MET A 90 22.952 -5.797 8.433 1.00 0.00 S ATOM 1450 CE MET A 90 21.431 -5.500 7.542 1.00 0.00 C ATOM 0 H MET A 90 20.402 -9.216 9.391 1.00 0.00 H new ATOM 0 HA MET A 90 21.423 -8.149 6.896 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.864 -9.445 9.242 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.621 -8.553 7.938 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.607 -7.252 9.792 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.304 -7.373 10.212 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.623 -5.542 6.470 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.698 -6.261 7.809 1.00 0.00 H new ATOM 0 HE3 MET A 90 21.043 -4.515 7.803 1.00 0.00 H new ATOM 1460 N LEU A 91 21.155 -11.368 7.348 1.00 0.00 N ATOM 1461 CA LEU A 91 21.128 -12.657 6.622 1.00 0.00 C ATOM 1462 C LEU A 91 20.206 -12.584 5.403 1.00 0.00 C ATOM 1463 O LEU A 91 20.343 -13.389 4.484 1.00 0.00 O ATOM 1464 CB LEU A 91 20.716 -13.841 7.563 1.00 0.00 C ATOM 1465 CG LEU A 91 21.887 -14.538 8.324 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.381 -15.705 9.207 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.961 -15.014 7.324 1.00 0.00 C ATOM 0 H LEU A 91 20.653 -11.386 8.236 1.00 0.00 H new ATOM 0 HA LEU A 91 22.141 -12.853 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 91 20.002 -13.467 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.197 -14.591 6.967 1.00 0.00 H new ATOM 0 HG LEU A 91 22.339 -13.807 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.225 -16.165 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.673 -15.324 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.889 -16.449 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.773 -15.499 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.518 -15.722 6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.352 -14.157 6.775 1.00 0.00 H new ATOM 1479 N VAL A 92 19.258 -11.632 5.418 1.00 0.00 N ATOM 1480 CA VAL A 92 18.434 -11.314 4.231 1.00 0.00 C ATOM 1481 C VAL A 92 19.190 -10.277 3.363 1.00 0.00 C ATOM 1482 O VAL A 92 20.091 -9.577 3.859 1.00 0.00 O ATOM 1483 CB VAL A 92 17.001 -10.744 4.609 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.995 -10.864 3.425 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.436 -11.409 5.875 1.00 0.00 C ATOM 0 H VAL A 92 19.040 -11.066 6.238 1.00 0.00 H new ATOM 0 HA VAL A 92 18.271 -12.242 3.683 1.00 0.00 H new ATOM 0 HB VAL A 92 17.136 -9.684 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.028 -10.462 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.370 -10.301 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.882 -11.912 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.455 -10.991 6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.344 -12.483 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 92 17.108 -11.226 6.713 1.00 0.00 H new ATOM 1495 N LYS A 93 18.844 -10.207 2.065 1.00 0.00 N ATOM 1496 CA LYS A 93 19.324 -9.142 1.174 1.00 0.00 C ATOM 1497 C LYS A 93 18.790 -7.789 1.665 1.00 0.00 C ATOM 1498 O LYS A 93 17.567 -7.628 1.805 1.00 0.00 O ATOM 1499 CB LYS A 93 18.857 -9.381 -0.289 1.00 0.00 C ATOM 1500 CG LYS A 93 19.440 -10.643 -0.968 1.00 0.00 C ATOM 1501 CD LYS A 93 20.967 -10.571 -1.229 1.00 0.00 C ATOM 1502 CE LYS A 93 21.365 -9.535 -2.291 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.827 -9.566 -2.562 1.00 0.00 N ATOM 0 H LYS A 93 18.229 -10.882 1.610 1.00 0.00 H new ATOM 0 HA LYS A 93 20.414 -9.145 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.769 -9.452 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.125 -8.510 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.229 -11.510 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.927 -10.803 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.475 -10.334 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.319 -11.554 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.819 -9.730 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.077 -8.539 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.999 -9.350 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.305 -8.858 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 23.201 -10.511 -2.343 1.00 0.00 H new ATOM 1517 N ARG A 94 19.707 -6.847 1.955 1.00 0.00 N ATOM 1518 CA ARG A 94 19.336 -5.459 2.272 1.00 0.00 C ATOM 1519 C ARG A 94 18.477 -4.840 1.132 1.00 0.00 C ATOM 1520 O ARG A 94 17.406 -4.336 1.427 1.00 0.00 O ATOM 1521 CB ARG A 94 20.578 -4.580 2.607 1.00 0.00 C ATOM 1522 CG ARG A 94 21.299 -4.974 3.915 1.00 0.00 C ATOM 1523 CD ARG A 94 22.485 -4.054 4.263 1.00 0.00 C ATOM 1524 NE ARG A 94 23.644 -4.281 3.389 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.748 -3.523 3.357 1.00 0.00 C ATOM 1526 NH1 ARG A 94 24.809 -2.353 3.990 1.00 0.00 N ATOM 1527 NH2 ARG A 94 25.786 -3.928 2.660 1.00 0.00 N ATOM 0 H ARG A 94 20.711 -7.024 1.976 1.00 0.00 H new ATOM 0 HA ARG A 94 18.724 -5.482 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.287 -4.643 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.264 -3.539 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.582 -4.956 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.658 -6.000 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.170 -3.014 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.777 -4.219 5.300 1.00 0.00 H new ATOM 0 HE ARG A 94 23.605 -5.080 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.003 -2.015 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 94 25.662 -1.795 3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 94 25.745 -4.811 2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.632 -3.359 2.628 1.00 0.00 H new ATOM 1541 N PRO A 95 18.893 -4.891 -0.190 1.00 0.00 N ATOM 1542 CA PRO A 95 18.004 -4.470 -1.293 1.00 0.00 C ATOM 1543 C PRO A 95 17.007 -5.590 -1.715 1.00 0.00 C ATOM 1544 O PRO A 95 17.378 -6.580 -2.374 1.00 0.00 O ATOM 1545 CB PRO A 95 19.000 -4.120 -2.417 1.00 0.00 C ATOM 1546 CG PRO A 95 20.155 -5.049 -2.210 1.00 0.00 C ATOM 1547 CD PRO A 95 20.233 -5.304 -0.716 1.00 0.00 C ATOM 0 HA PRO A 95 17.354 -3.638 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.551 -4.260 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.315 -3.078 -2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.008 -5.981 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 95 21.081 -4.607 -2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.436 -6.354 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 95 21.034 -4.725 -0.257 1.00 0.00 H new ATOM 1555 N LEU A 96 15.746 -5.427 -1.286 1.00 0.00 N ATOM 1556 CA LEU A 96 14.618 -6.304 -1.671 1.00 0.00 C ATOM 1557 C LEU A 96 13.367 -5.428 -1.828 1.00 0.00 C ATOM 1558 O LEU A 96 13.266 -4.360 -1.224 1.00 0.00 O ATOM 1559 CB LEU A 96 14.440 -7.455 -0.610 1.00 0.00 C ATOM 1560 CG LEU A 96 13.205 -8.438 -0.757 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.513 -9.839 -0.169 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.920 -7.900 -0.102 1.00 0.00 C ATOM 0 H LEU A 96 15.473 -4.675 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 96 14.808 -6.800 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.347 -8.059 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.379 -6.991 0.374 1.00 0.00 H new ATOM 0 HG LEU A 96 13.034 -8.517 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.642 -10.483 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.362 -10.275 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.751 -9.745 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.113 -8.620 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.092 -7.745 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.644 -6.953 -0.566 1.00 0.00 H new ATOM 1574 N ALA A 97 12.438 -5.873 -2.672 1.00 0.00 N ATOM 1575 CA ALA A 97 11.154 -5.200 -2.898 1.00 0.00 C ATOM 1576 C ALA A 97 10.085 -6.273 -3.140 1.00 0.00 C ATOM 1577 O ALA A 97 10.151 -6.963 -4.142 1.00 0.00 O ATOM 1578 CB ALA A 97 11.284 -4.244 -4.094 1.00 0.00 C ATOM 0 H ALA A 97 12.554 -6.721 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 97 10.863 -4.606 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.331 -3.743 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.053 -3.501 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.560 -4.810 -4.984 1.00 0.00 H new ATOM 1584 N VAL A 98 9.130 -6.449 -2.208 1.00 0.00 N ATOM 1585 CA VAL A 98 8.082 -7.502 -2.322 1.00 0.00 C ATOM 1586 C VAL A 98 6.672 -6.884 -2.191 1.00 0.00 C ATOM 1587 O VAL A 98 6.454 -6.005 -1.371 1.00 0.00 O ATOM 1588 CB VAL A 98 8.295 -8.662 -1.268 1.00 0.00 C ATOM 1589 CG1 VAL A 98 8.204 -8.169 0.198 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.331 -9.847 -1.529 1.00 0.00 C ATOM 0 H VAL A 98 9.055 -5.880 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 98 8.171 -7.949 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 98 9.315 -9.021 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.358 -9.009 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.970 -7.414 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.220 -7.736 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.504 -10.627 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.300 -9.500 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.510 -10.249 -2.526 1.00 0.00 H new ATOM 1600 N MET A 99 5.727 -7.348 -3.028 1.00 0.00 N ATOM 1601 CA MET A 99 4.363 -6.798 -3.105 1.00 0.00 C ATOM 1602 C MET A 99 3.381 -7.888 -3.564 1.00 0.00 C ATOM 1603 O MET A 99 3.186 -8.079 -4.773 1.00 0.00 O ATOM 1604 CB MET A 99 4.364 -5.611 -4.091 1.00 0.00 C ATOM 1605 CG MET A 99 3.104 -4.724 -4.089 1.00 0.00 C ATOM 1606 SD MET A 99 1.769 -5.377 -5.117 1.00 0.00 S ATOM 1607 CE MET A 99 2.518 -5.324 -6.755 1.00 0.00 C ATOM 0 H MET A 99 5.890 -8.120 -3.674 1.00 0.00 H new ATOM 0 HA MET A 99 4.043 -6.450 -2.123 1.00 0.00 H new ATOM 0 HB2 MET A 99 5.226 -4.982 -3.869 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.506 -6.002 -5.098 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.746 -4.616 -3.065 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.369 -3.727 -4.440 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.896 -4.724 -7.420 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.511 -4.879 -6.687 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.601 -6.336 -7.150 1.00 0.00 H new ATOM 1617 N GLY A 100 2.801 -8.616 -2.597 1.00 0.00 N ATOM 1618 CA GLY A 100 1.810 -9.658 -2.889 1.00 0.00 C ATOM 1619 C GLY A 100 2.363 -10.811 -3.731 1.00 0.00 C ATOM 1620 O GLY A 100 2.991 -11.723 -3.192 1.00 0.00 O ATOM 0 H GLY A 100 3.004 -8.500 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.427 -10.056 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.966 -9.209 -3.413 1.00 0.00 H new ATOM 1624 N ASP A 101 2.156 -10.743 -5.066 1.00 0.00 N ATOM 1625 CA ASP A 101 2.591 -11.792 -6.022 1.00 0.00 C ATOM 1626 C ASP A 101 3.861 -11.371 -6.790 1.00 0.00 C ATOM 1627 O ASP A 101 4.487 -12.191 -7.463 1.00 0.00 O ATOM 1628 CB ASP A 101 1.456 -12.118 -7.031 1.00 0.00 C ATOM 1629 CG ASP A 101 1.254 -11.034 -8.113 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.754 -9.932 -7.790 1.00 0.00 O ATOM 1631 OD2 ASP A 101 1.621 -11.278 -9.289 1.00 0.00 O ATOM 0 H ASP A 101 1.682 -9.958 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 101 2.823 -12.683 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.677 -13.068 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.523 -12.250 -6.484 1.00 0.00 H new ATOM 1636 N LYS A 102 4.234 -10.092 -6.673 1.00 0.00 N ATOM 1637 CA LYS A 102 5.368 -9.497 -7.397 1.00 0.00 C ATOM 1638 C LYS A 102 6.557 -9.309 -6.432 1.00 0.00 C ATOM 1639 O LYS A 102 6.339 -9.016 -5.260 1.00 0.00 O ATOM 1640 CB LYS A 102 4.924 -8.133 -7.982 1.00 0.00 C ATOM 1641 CG LYS A 102 3.800 -8.187 -9.043 1.00 0.00 C ATOM 1642 CD LYS A 102 4.192 -8.979 -10.314 1.00 0.00 C ATOM 1643 CE LYS A 102 3.202 -8.755 -11.476 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.803 -9.123 -11.122 1.00 0.00 N ATOM 0 H LYS A 102 3.752 -9.430 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 102 5.683 -10.153 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.592 -7.498 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.794 -7.650 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.914 -8.641 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.529 -7.170 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.192 -8.682 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.235 -10.042 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.232 -7.708 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.521 -9.343 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.287 -9.396 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.812 -9.922 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.331 -8.309 -10.679 1.00 0.00 H new ATOM 1658 N ILE A 103 7.808 -9.462 -6.924 1.00 0.00 N ATOM 1659 CA ILE A 103 9.025 -9.276 -6.083 1.00 0.00 C ATOM 1660 C ILE A 103 10.297 -9.085 -6.959 1.00 0.00 C ATOM 1661 O ILE A 103 10.389 -9.651 -8.055 1.00 0.00 O ATOM 1662 CB ILE A 103 9.225 -10.498 -5.096 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.418 -10.262 -4.101 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.398 -11.818 -5.882 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.559 -11.310 -3.006 1.00 0.00 C ATOM 0 H ILE A 103 8.006 -9.712 -7.893 1.00 0.00 H new ATOM 0 HA ILE A 103 8.876 -8.371 -5.494 1.00 0.00 H new ATOM 0 HB ILE A 103 8.322 -10.581 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.346 -10.227 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.294 -9.285 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.534 -12.643 -5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.511 -11.999 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.272 -11.744 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.409 -11.061 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.650 -11.332 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.719 -12.289 -3.458 1.00 0.00 H new ATOM 1677 N THR A 104 11.253 -8.263 -6.475 1.00 0.00 N ATOM 1678 CA THR A 104 12.580 -8.061 -7.090 1.00 0.00 C ATOM 1679 C THR A 104 13.677 -8.106 -5.999 1.00 0.00 C ATOM 1680 O THR A 104 13.492 -7.551 -4.911 1.00 0.00 O ATOM 1681 CB THR A 104 12.658 -6.690 -7.844 1.00 0.00 C ATOM 1682 OG1 THR A 104 12.209 -5.630 -6.983 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.827 -6.680 -9.137 1.00 0.00 C ATOM 0 H THR A 104 11.120 -7.710 -5.628 1.00 0.00 H new ATOM 0 HA THR A 104 12.738 -8.862 -7.813 1.00 0.00 H new ATOM 0 HB THR A 104 13.701 -6.538 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.670 -4.798 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.916 -5.707 -9.619 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.194 -7.454 -9.811 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.781 -6.872 -8.899 1.00 0.00 H new ATOM 1691 N LEU A 105 14.809 -8.782 -6.305 1.00 0.00 N ATOM 1692 CA LEU A 105 15.986 -8.882 -5.399 1.00 0.00 C ATOM 1693 C LEU A 105 17.203 -8.178 -6.024 1.00 0.00 C ATOM 1694 O LEU A 105 17.358 -8.173 -7.257 1.00 0.00 O ATOM 1695 CB LEU A 105 16.334 -10.381 -5.092 1.00 0.00 C ATOM 1696 CG LEU A 105 15.657 -11.033 -3.853 1.00 0.00 C ATOM 1697 CD1 LEU A 105 16.121 -10.350 -2.562 1.00 0.00 C ATOM 1698 CD2 LEU A 105 14.125 -11.038 -3.977 1.00 0.00 C ATOM 0 H LEU A 105 14.936 -9.276 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 105 15.732 -8.389 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 105 16.074 -10.974 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.414 -10.457 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 105 15.970 -12.076 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.636 -10.821 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 105 17.202 -10.449 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.855 -9.293 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.690 -11.502 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.764 -10.013 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.833 -11.602 -4.863 1.00 0.00 H new ATOM 1710 N GLY A 106 18.066 -7.610 -5.151 1.00 0.00 N ATOM 1711 CA GLY A 106 19.323 -6.979 -5.567 1.00 0.00 C ATOM 1712 C GLY A 106 19.106 -5.741 -6.431 1.00 0.00 C ATOM 1713 O GLY A 106 18.340 -4.848 -6.050 1.00 0.00 O ATOM 0 H GLY A 106 17.905 -7.580 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.896 -6.703 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.921 -7.702 -6.121 1.00 0.00 H new ATOM 1717 N PHE A 107 19.770 -5.697 -7.603 1.00 0.00 N ATOM 1718 CA PHE A 107 19.631 -4.591 -8.565 1.00 0.00 C ATOM 1719 C PHE A 107 19.614 -5.145 -9.995 1.00 0.00 C ATOM 1720 O PHE A 107 20.669 -5.434 -10.571 1.00 0.00 O ATOM 1721 CB PHE A 107 20.781 -3.558 -8.405 1.00 0.00 C ATOM 1722 CG PHE A 107 20.607 -2.296 -9.257 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.602 -1.373 -8.960 1.00 0.00 C ATOM 1724 CD2 PHE A 107 21.432 -2.038 -10.356 1.00 0.00 C ATOM 1725 CE1 PHE A 107 19.430 -0.240 -9.730 1.00 0.00 C ATOM 1726 CE2 PHE A 107 21.256 -0.902 -11.125 1.00 0.00 C ATOM 1727 CZ PHE A 107 20.256 -0.006 -10.812 1.00 0.00 C ATOM 0 H PHE A 107 20.415 -6.426 -7.907 1.00 0.00 H new ATOM 0 HA PHE A 107 18.690 -4.079 -8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.853 -3.269 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.724 -4.036 -8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.950 -1.548 -8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 107 22.217 -2.735 -10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.648 0.464 -9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 107 21.902 -0.717 -11.971 1.00 0.00 H new ATOM 0 HZ PHE A 107 20.118 0.880 -11.414 1.00 0.00 H new ATOM 1737 N LYS A 108 18.410 -5.332 -10.541 1.00 0.00 N ATOM 1738 CA LYS A 108 18.206 -5.689 -11.953 1.00 0.00 C ATOM 1739 C LYS A 108 17.106 -4.796 -12.522 1.00 0.00 C ATOM 1740 O LYS A 108 15.926 -5.062 -12.291 1.00 0.00 O ATOM 1741 CB LYS A 108 17.828 -7.190 -12.120 1.00 0.00 C ATOM 1742 CG LYS A 108 18.959 -8.183 -11.786 1.00 0.00 C ATOM 1743 CD LYS A 108 18.532 -9.651 -11.983 1.00 0.00 C ATOM 1744 CE LYS A 108 19.676 -10.643 -11.717 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.784 -10.496 -12.700 1.00 0.00 N ATOM 0 H LYS A 108 17.541 -5.240 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 108 19.138 -5.535 -12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.972 -7.408 -11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.509 -7.357 -13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.822 -7.971 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 108 19.275 -8.035 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.700 -9.875 -11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.169 -9.786 -13.002 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.063 -10.488 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.289 -11.661 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.460 -11.277 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.397 -10.517 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.270 -9.590 -12.542 1.00 0.00 H new ATOM 1759 N GLU A 109 17.505 -3.727 -13.244 1.00 0.00 N ATOM 1760 CA GLU A 109 16.567 -2.774 -13.889 1.00 0.00 C ATOM 1761 C GLU A 109 15.554 -3.519 -14.787 1.00 0.00 C ATOM 1762 O GLU A 109 14.399 -3.094 -14.922 1.00 0.00 O ATOM 1763 CB GLU A 109 17.367 -1.742 -14.726 1.00 0.00 C ATOM 1764 CG GLU A 109 16.527 -0.638 -15.407 1.00 0.00 C ATOM 1765 CD GLU A 109 17.326 0.195 -16.427 1.00 0.00 C ATOM 1766 OE1 GLU A 109 18.057 1.121 -16.018 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.252 -0.103 -17.643 1.00 0.00 O ATOM 0 H GLU A 109 18.487 -3.497 -13.398 1.00 0.00 H new ATOM 0 HA GLU A 109 16.009 -2.254 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.102 -1.266 -14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.922 -2.278 -15.496 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.676 -1.097 -15.910 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.124 0.026 -14.642 1.00 0.00 H new ATOM 1774 N ASP A 110 16.010 -4.659 -15.359 1.00 0.00 N ATOM 1775 CA ASP A 110 15.171 -5.557 -16.167 1.00 0.00 C ATOM 1776 C ASP A 110 14.004 -6.089 -15.320 1.00 0.00 C ATOM 1777 O ASP A 110 12.846 -5.901 -15.675 1.00 0.00 O ATOM 1778 CB ASP A 110 16.010 -6.733 -16.729 1.00 0.00 C ATOM 1779 CG ASP A 110 15.167 -7.805 -17.467 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.752 -7.562 -18.624 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.936 -8.903 -16.904 1.00 0.00 O ATOM 0 H ASP A 110 16.975 -4.977 -15.269 1.00 0.00 H new ATOM 0 HA ASP A 110 14.769 -4.993 -17.009 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.759 -6.338 -17.415 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.548 -7.208 -15.909 1.00 0.00 H new ATOM 1786 N GLN A 111 14.336 -6.720 -14.183 1.00 0.00 N ATOM 1787 CA GLN A 111 13.344 -7.267 -13.254 1.00 0.00 C ATOM 1788 C GLN A 111 12.428 -6.175 -12.668 1.00 0.00 C ATOM 1789 O GLN A 111 11.247 -6.420 -12.466 1.00 0.00 O ATOM 1790 CB GLN A 111 14.053 -8.067 -12.132 1.00 0.00 C ATOM 1791 CG GLN A 111 14.745 -9.351 -12.629 1.00 0.00 C ATOM 1792 CD GLN A 111 13.759 -10.415 -13.117 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.385 -10.454 -14.288 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.313 -11.278 -12.214 1.00 0.00 N ATOM 0 H GLN A 111 15.301 -6.864 -13.885 1.00 0.00 H new ATOM 0 HA GLN A 111 12.699 -7.943 -13.816 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.795 -7.427 -11.655 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.321 -8.331 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.428 -9.098 -13.440 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.349 -9.767 -11.822 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.641 -11.222 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.642 -11.998 -12.484 1.00 0.00 H new ATOM 1803 N TYR A 112 12.963 -4.962 -12.426 1.00 0.00 N ATOM 1804 CA TYR A 112 12.163 -3.842 -11.877 1.00 0.00 C ATOM 1805 C TYR A 112 11.059 -3.393 -12.880 1.00 0.00 C ATOM 1806 O TYR A 112 9.886 -3.255 -12.495 1.00 0.00 O ATOM 1807 CB TYR A 112 13.078 -2.657 -11.431 1.00 0.00 C ATOM 1808 CG TYR A 112 13.773 -2.868 -10.060 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.078 -2.674 -8.862 1.00 0.00 C ATOM 1810 CD2 TYR A 112 15.108 -3.282 -9.962 1.00 0.00 C ATOM 1811 CE1 TYR A 112 13.678 -2.888 -7.632 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.714 -3.491 -8.731 1.00 0.00 C ATOM 1813 CZ TYR A 112 14.995 -3.296 -7.572 1.00 0.00 C ATOM 1814 OH TYR A 112 15.585 -3.522 -6.341 1.00 0.00 O ATOM 0 H TYR A 112 13.941 -4.730 -12.600 1.00 0.00 H new ATOM 0 HA TYR A 112 11.652 -4.199 -10.983 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.842 -2.497 -12.192 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.479 -1.748 -11.385 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.049 -2.349 -8.897 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.678 -3.442 -10.865 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.116 -2.736 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.746 -3.806 -8.682 1.00 0.00 H new ATOM 0 HH TYR A 112 16.448 -3.968 -6.469 1.00 0.00 H new ATOM 1824 N LYS A 113 11.415 -3.230 -14.175 1.00 0.00 N ATOM 1825 CA LYS A 113 10.423 -2.860 -15.221 1.00 0.00 C ATOM 1826 C LYS A 113 9.511 -4.050 -15.586 1.00 0.00 C ATOM 1827 O LYS A 113 8.384 -3.863 -16.048 1.00 0.00 O ATOM 1828 CB LYS A 113 11.114 -2.236 -16.485 1.00 0.00 C ATOM 1829 CG LYS A 113 12.128 -3.129 -17.260 1.00 0.00 C ATOM 1830 CD LYS A 113 11.473 -4.161 -18.219 1.00 0.00 C ATOM 1831 CE LYS A 113 12.502 -5.081 -18.900 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.865 -6.142 -19.724 1.00 0.00 N ATOM 0 H LYS A 113 12.367 -3.346 -14.521 1.00 0.00 H new ATOM 0 HA LYS A 113 9.782 -2.086 -14.800 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.332 -1.932 -17.181 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.633 -1.330 -16.173 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.793 -2.486 -17.837 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.748 -3.663 -16.540 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.763 -4.770 -17.660 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.905 -3.630 -18.983 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.158 -4.481 -19.531 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.129 -5.545 -18.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.580 -6.578 -20.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.456 -6.867 -19.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.113 -5.724 -20.308 1.00 0.00 H new ATOM 1846 N GLU A 114 10.026 -5.270 -15.375 1.00 0.00 N ATOM 1847 CA GLU A 114 9.325 -6.523 -15.722 1.00 0.00 C ATOM 1848 C GLU A 114 8.185 -6.792 -14.733 1.00 0.00 C ATOM 1849 O GLU A 114 7.055 -7.117 -15.116 1.00 0.00 O ATOM 1850 CB GLU A 114 10.340 -7.703 -15.692 1.00 0.00 C ATOM 1851 CG GLU A 114 9.841 -9.026 -16.300 1.00 0.00 C ATOM 1852 CD GLU A 114 9.551 -8.923 -17.806 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.475 -8.575 -18.578 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.402 -9.189 -18.230 1.00 0.00 O ATOM 0 H GLU A 114 10.944 -5.420 -14.957 1.00 0.00 H new ATOM 0 HA GLU A 114 8.900 -6.428 -16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.241 -7.397 -16.223 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.627 -7.885 -14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.588 -9.802 -16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.935 -9.339 -15.782 1.00 0.00 H new ATOM 1861 N THR A 115 8.513 -6.604 -13.455 1.00 0.00 N ATOM 1862 CA THR A 115 7.691 -7.041 -12.326 1.00 0.00 C ATOM 1863 C THR A 115 6.709 -5.937 -11.880 1.00 0.00 C ATOM 1864 O THR A 115 5.534 -6.212 -11.624 1.00 0.00 O ATOM 1865 CB THR A 115 8.638 -7.466 -11.154 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.555 -8.473 -11.627 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.898 -8.005 -9.930 1.00 0.00 C ATOM 0 H THR A 115 9.373 -6.135 -13.170 1.00 0.00 H new ATOM 0 HA THR A 115 7.083 -7.892 -12.631 1.00 0.00 H new ATOM 0 HB THR A 115 9.162 -6.565 -10.835 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.347 -8.041 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.619 -8.279 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.228 -7.238 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.318 -8.884 -10.213 1.00 0.00 H new ATOM 1875 N TRP A 116 7.195 -4.684 -11.805 1.00 0.00 N ATOM 1876 CA TRP A 116 6.406 -3.560 -11.260 1.00 0.00 C ATOM 1877 C TRP A 116 5.695 -2.774 -12.374 1.00 0.00 C ATOM 1878 O TRP A 116 4.578 -2.281 -12.188 1.00 0.00 O ATOM 1879 CB TRP A 116 7.323 -2.598 -10.452 1.00 0.00 C ATOM 1880 CG TRP A 116 8.208 -3.285 -9.431 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.571 -3.238 -9.357 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.790 -4.131 -8.354 1.00 0.00 C ATOM 1883 NE1 TRP A 116 10.015 -3.983 -8.302 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.944 -4.545 -7.677 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.552 -4.573 -7.892 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.899 -5.374 -6.569 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.513 -5.398 -6.796 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.679 -5.793 -6.143 1.00 0.00 C ATOM 0 H TRP A 116 8.131 -4.423 -12.115 1.00 0.00 H new ATOM 0 HA TRP A 116 5.647 -3.983 -10.602 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.954 -2.047 -11.149 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.699 -1.866 -9.940 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.207 -2.690 -10.036 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.990 -4.099 -8.027 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.640 -4.272 -8.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.803 -5.677 -6.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.559 -5.749 -6.432 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.612 -6.443 -5.283 1.00 0.00 H new ATOM 1899 N LEU A 117 6.364 -2.661 -13.532 1.00 0.00 N ATOM 1900 CA LEU A 117 6.009 -1.685 -14.588 1.00 0.00 C ATOM 1901 C LEU A 117 5.523 -2.396 -15.868 1.00 0.00 C ATOM 1902 O LEU A 117 5.178 -3.582 -15.822 1.00 0.00 O ATOM 1903 CB LEU A 117 7.267 -0.808 -14.872 1.00 0.00 C ATOM 1904 CG LEU A 117 7.952 -0.194 -13.608 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.220 0.590 -13.973 1.00 0.00 C ATOM 1906 CD2 LEU A 117 6.966 0.675 -12.812 1.00 0.00 C ATOM 0 H LEU A 117 7.168 -3.242 -13.768 1.00 0.00 H new ATOM 0 HA LEU A 117 5.185 -1.057 -14.251 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.000 -1.415 -15.404 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.980 0.004 -15.540 1.00 0.00 H new ATOM 0 HG LEU A 117 8.259 -1.022 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.667 1.001 -13.068 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.933 -0.076 -14.459 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.962 1.403 -14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.469 1.089 -11.938 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.606 1.488 -13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.122 0.065 -12.489 1.00 0.00 H new ATOM 1918 N ALA A 118 5.482 -1.624 -16.988 1.00 0.00 N ATOM 1919 CA ALA A 118 5.150 -2.103 -18.344 1.00 0.00 C ATOM 1920 C ALA A 118 3.655 -2.505 -18.458 1.00 0.00 C ATOM 1921 O ALA A 118 2.818 -1.612 -18.726 1.00 0.00 O ATOM 1922 CB ALA A 118 6.109 -3.230 -18.808 1.00 0.00 C ATOM 1923 OXT ALA A 118 3.314 -3.695 -18.268 1.00 0.00 O ATOM 0 H ALA A 118 5.686 -0.625 -16.964 1.00 0.00 H new ATOM 0 HA ALA A 118 5.301 -1.271 -19.031 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.831 -3.555 -19.811 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.132 -2.855 -18.819 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.039 -4.073 -18.121 1.00 0.00 H new TER 1929 ALA A 118