USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 849 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 79 MET CE :methyl 141:sc= -0.876 (180deg=-4.11!) USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= -6.02! C(o=-10!,f=-6.9!) USER MOD Set 2.1: A 51 MET CE :methyl 164:sc= -1.66 (180deg=-2!) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 MET CE :methyl -166:sc= -0.545 (180deg=-1.48!) USER MOD Set 3.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HE2:sc= -7.72! C(o=-8.3!,f=-10!) USER MOD Set 4.2: A 21 GLN :FLIP amide:sc= -0.632 F(o=-9.7,f=-8.3) USER MOD Single : A 1 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 1 GLN N :NH3+ -146:sc= -0.182 (180deg=-0.988) USER MOD Single : A 3 ASN : amide:sc= -4.21! C(o=-4.2!,f=-7.7!) USER MOD Single : A 4 GLN :FLIP amide:sc= -1.02! C(o=-2.5!,f=-1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -140:sc= -0.0202 (180deg=-1.35!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.0243 (180deg=-0.655) USER MOD Single : A 31 MET CE :methyl 169:sc= -7.39! (180deg=-7.99!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 166:sc= 0.966 USER MOD Single : A 36 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.76) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -4.09 F(o=-9.2!,f=-4.1) USER MOD Single : A 46 GLN :FLIP amide:sc= -2.46 F(o=-7.1!,f=-2.5) USER MOD Single : A 47 GLN :FLIP amide:sc= -4.77! C(o=-9.5!,f=-4.8!) USER MOD Single : A 49 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -4.84! C(o=-6.5!,f=-4.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -44:sc= -3.52 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0724 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0267) USER MOD Single : A 74 SER OG : rot 92:sc= 0.00753 USER MOD Single : A 77 TYR OH : rot 41:sc= -2.68! USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -1.47 (180deg=-2.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 116 GLN :FLIP amide:sc= -2.33! C(o=-3.1!,f=-2.3!) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 ASN :FLIP amide:sc= -0.455 F(o=-1.1,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.412 1.567 -2.516 1.00 0.00 N ATOM 2 CA GLN A 1 3.807 1.466 -2.929 1.00 0.00 C ATOM 3 C GLN A 1 4.729 1.390 -1.717 1.00 0.00 C ATOM 4 O GLN A 1 5.400 2.363 -1.373 1.00 0.00 O ATOM 5 CB GLN A 1 4.191 2.662 -3.802 1.00 0.00 C ATOM 6 CG GLN A 1 3.331 2.807 -5.048 1.00 0.00 C ATOM 7 CD GLN A 1 2.917 4.242 -5.308 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.491 5.176 -4.748 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.916 4.424 -6.162 1.00 0.00 N ATOM 0 H1 GLN A 1 1.810 1.066 -3.200 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.297 1.139 -1.575 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.133 2.568 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 1 3.922 0.550 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.114 3.574 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.235 2.563 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.881 2.430 -5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.439 2.189 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 1 1.469 3.620 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.594 5.368 -6.377 1.00 0.00 H new ATOM 18 N ILE A 2 4.758 0.227 -1.074 1.00 0.00 N ATOM 19 CA ILE A 2 5.599 0.024 0.099 1.00 0.00 C ATOM 20 C ILE A 2 6.394 -1.272 -0.012 1.00 0.00 C ATOM 21 O ILE A 2 6.192 -2.205 0.764 1.00 0.00 O ATOM 22 CB ILE A 2 4.763 -0.009 1.392 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.121 1.357 1.646 1.00 0.00 C ATOM 24 CG2 ILE A 2 5.629 -0.421 2.573 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.103 2.407 2.117 1.00 0.00 C ATOM 0 H ILE A 2 4.209 -0.588 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 2 6.288 0.867 0.143 1.00 0.00 H new ATOM 0 HB ILE A 2 3.969 -0.746 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.645 1.702 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.334 1.247 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.024 -0.440 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.042 -1.413 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.442 0.294 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.579 3.349 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.561 2.083 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.877 2.546 1.362 1.00 0.00 H new ATOM 37 N ASN A 3 7.301 -1.322 -0.982 1.00 0.00 N ATOM 38 CA ASN A 3 8.129 -2.503 -1.194 1.00 0.00 C ATOM 39 C ASN A 3 9.574 -2.237 -0.783 1.00 0.00 C ATOM 40 O ASN A 3 9.895 -1.166 -0.268 1.00 0.00 O ATOM 41 CB ASN A 3 8.077 -2.932 -2.662 1.00 0.00 C ATOM 42 CG ASN A 3 7.473 -4.311 -2.841 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.939 -5.104 -3.659 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.429 -4.604 -2.073 1.00 0.00 N ATOM 0 H ASN A 3 7.481 -0.558 -1.634 1.00 0.00 H new ATOM 0 HA ASN A 3 7.735 -3.307 -0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.494 -2.207 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.085 -2.924 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.981 -5.517 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.076 -3.916 -1.408 1.00 0.00 H new ATOM 51 N GLN A 4 10.440 -3.218 -1.014 1.00 0.00 N ATOM 52 CA GLN A 4 11.851 -3.089 -0.667 1.00 0.00 C ATOM 53 C GLN A 4 12.536 -2.052 -1.550 1.00 0.00 C ATOM 54 O GLN A 4 11.904 -1.440 -2.412 1.00 0.00 O ATOM 55 CB GLN A 4 12.557 -4.439 -0.803 1.00 0.00 C ATOM 56 CG GLN A 4 11.743 -5.607 -0.270 1.00 0.00 C ATOM 57 CD GLN A 4 10.894 -6.263 -1.341 1.00 0.00 C ATOM 58 OE1 GLN A 4 9.586 -6.049 -1.274 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 11.409 -6.956 -2.219 1.00 0.00 N flip ATOM 0 H GLN A 4 10.190 -4.111 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 4 11.915 -2.756 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.786 -4.616 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.508 -4.397 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.417 -6.349 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.098 -5.258 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.420 -7.094 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.825 -7.392 -2.933 1.00 0.00 H new ATOM 68 N VAL A 5 13.833 -1.859 -1.331 1.00 0.00 N ATOM 69 CA VAL A 5 14.604 -0.896 -2.108 1.00 0.00 C ATOM 70 C VAL A 5 16.071 -1.304 -2.187 1.00 0.00 C ATOM 71 O VAL A 5 16.489 -2.281 -1.566 1.00 0.00 O ATOM 72 CB VAL A 5 14.508 0.518 -1.505 1.00 0.00 C ATOM 73 CG1 VAL A 5 15.809 0.894 -0.813 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.154 1.533 -2.582 1.00 0.00 C ATOM 0 H VAL A 5 14.372 -2.357 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 5 14.178 -0.884 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 5 13.714 0.522 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.722 1.896 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.015 0.182 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 5 16.625 0.873 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.090 2.527 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.924 1.529 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.194 1.272 -3.027 1.00 0.00 H new ATOM 84 N ARG A 6 16.849 -0.547 -2.954 1.00 0.00 N ATOM 85 CA ARG A 6 18.271 -0.830 -3.115 1.00 0.00 C ATOM 86 C ARG A 6 19.006 0.384 -3.676 1.00 0.00 C ATOM 87 O ARG A 6 19.124 0.563 -4.888 1.00 0.00 O ATOM 88 CB ARG A 6 18.472 -2.033 -4.038 1.00 0.00 C ATOM 89 CG ARG A 6 19.893 -2.571 -4.036 1.00 0.00 C ATOM 90 CD ARG A 6 20.307 -3.055 -5.417 1.00 0.00 C ATOM 91 NE ARG A 6 21.222 -4.192 -5.347 1.00 0.00 N ATOM 92 CZ ARG A 6 20.841 -5.422 -5.022 1.00 0.00 C ATOM 93 NH1 ARG A 6 19.571 -5.674 -4.739 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.733 -6.404 -4.980 1.00 0.00 N ATOM 0 H ARG A 6 16.519 0.266 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 6 18.684 -1.062 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.791 -2.829 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.201 -1.749 -5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.578 -1.792 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.972 -3.392 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 6 19.420 -3.338 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 6 20.784 -2.239 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 6 22.207 -4.032 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.883 -4.922 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.282 -6.620 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.711 -6.214 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.440 -7.349 -4.730 1.00 0.00 H new ATOM 108 N PRO A 7 19.513 1.238 -2.774 1.00 0.00 N ATOM 109 CA PRO A 7 20.245 2.449 -3.155 1.00 0.00 C ATOM 110 C PRO A 7 21.606 2.135 -3.767 1.00 0.00 C ATOM 111 O PRO A 7 22.375 1.342 -3.223 1.00 0.00 O ATOM 112 CB PRO A 7 20.415 3.194 -1.828 1.00 0.00 C ATOM 113 CG PRO A 7 20.357 2.130 -0.787 1.00 0.00 C ATOM 114 CD PRO A 7 19.410 1.087 -1.313 1.00 0.00 C ATOM 0 HA PRO A 7 19.716 3.022 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.363 3.730 -1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.626 3.932 -1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.345 1.705 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 7 20.006 2.532 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.696 0.086 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.392 1.255 -0.962 1.00 0.00 H new ATOM 122 N LYS A 8 21.899 2.762 -4.901 1.00 0.00 N ATOM 123 CA LYS A 8 23.168 2.551 -5.587 1.00 0.00 C ATOM 124 C LYS A 8 24.301 3.281 -4.872 1.00 0.00 C ATOM 125 O LYS A 8 24.125 3.786 -3.763 1.00 0.00 O ATOM 126 CB LYS A 8 23.073 3.032 -7.038 1.00 0.00 C ATOM 127 CG LYS A 8 23.932 2.231 -8.001 1.00 0.00 C ATOM 128 CD LYS A 8 23.120 1.720 -9.179 1.00 0.00 C ATOM 129 CE LYS A 8 23.937 0.781 -10.054 1.00 0.00 C ATOM 130 NZ LYS A 8 23.115 0.178 -11.139 1.00 0.00 N ATOM 0 H LYS A 8 21.274 3.421 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 8 23.384 1.483 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.034 2.980 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.370 4.080 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.750 2.853 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.381 1.389 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.234 1.200 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.771 2.563 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.772 1.328 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.363 -0.011 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.708 -0.455 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.333 -0.365 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.729 0.932 -11.742 1.00 0.00 H new ATOM 144 N LEU A 9 25.462 3.334 -5.515 1.00 0.00 N ATOM 145 CA LEU A 9 26.624 4.004 -4.940 1.00 0.00 C ATOM 146 C LEU A 9 26.318 5.469 -4.646 1.00 0.00 C ATOM 147 O LEU A 9 26.402 5.929 -3.507 1.00 0.00 O ATOM 148 CB LEU A 9 27.818 3.902 -5.891 1.00 0.00 C ATOM 149 CG LEU A 9 28.765 5.102 -5.910 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.420 5.287 -4.550 1.00 0.00 C ATOM 151 CD2 LEU A 9 29.820 4.931 -6.993 1.00 0.00 C ATOM 0 H LEU A 9 25.624 2.922 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 9 26.871 3.508 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.393 3.015 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.440 3.747 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 9 28.183 5.996 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.091 6.146 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.651 5.456 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.988 4.392 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 9 30.485 5.794 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 9 30.398 4.027 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.334 4.849 -7.965 1.00 0.00 H new ATOM 163 N PRO A 10 25.952 6.219 -5.695 1.00 0.00 N ATOM 164 CA PRO A 10 25.622 7.643 -5.574 1.00 0.00 C ATOM 165 C PRO A 10 24.313 7.873 -4.827 1.00 0.00 C ATOM 166 O PRO A 10 23.912 9.014 -4.594 1.00 0.00 O ATOM 167 CB PRO A 10 25.497 8.103 -7.028 1.00 0.00 C ATOM 168 CG PRO A 10 25.140 6.871 -7.786 1.00 0.00 C ATOM 169 CD PRO A 10 25.830 5.737 -7.081 1.00 0.00 C ATOM 0 HA PRO A 10 26.374 8.189 -5.004 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.730 8.870 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.431 8.533 -7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.060 6.722 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.467 6.942 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.249 4.817 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.805 5.525 -7.520 1.00 0.00 H new ATOM 177 N LEU A 11 23.650 6.784 -4.454 1.00 0.00 N ATOM 178 CA LEU A 11 22.385 6.867 -3.732 1.00 0.00 C ATOM 179 C LEU A 11 22.553 6.417 -2.285 1.00 0.00 C ATOM 180 O LEU A 11 21.798 6.828 -1.403 1.00 0.00 O ATOM 181 CB LEU A 11 21.323 6.012 -4.425 1.00 0.00 C ATOM 182 CG LEU A 11 20.339 6.761 -5.324 1.00 0.00 C ATOM 183 CD1 LEU A 11 21.072 7.427 -6.478 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.267 5.815 -5.845 1.00 0.00 C ATOM 0 H LEU A 11 23.967 5.833 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 11 22.062 7.908 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.829 5.256 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.755 5.484 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 11 19.854 7.537 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 11 20.356 7.955 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 11 21.802 8.135 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.585 6.668 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.575 6.365 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.735 5.017 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.722 5.385 -5.005 1.00 0.00 H new ATOM 196 N LEU A 12 23.550 5.571 -2.046 1.00 0.00 N ATOM 197 CA LEU A 12 23.819 5.066 -0.704 1.00 0.00 C ATOM 198 C LEU A 12 24.225 6.199 0.233 1.00 0.00 C ATOM 199 O LEU A 12 23.725 6.302 1.353 1.00 0.00 O ATOM 200 CB LEU A 12 24.921 4.006 -0.749 1.00 0.00 C ATOM 201 CG LEU A 12 24.733 2.803 0.177 1.00 0.00 C ATOM 202 CD1 LEU A 12 26.078 2.306 0.685 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.822 3.163 1.341 1.00 0.00 C ATOM 0 H LEU A 12 24.185 5.221 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 12 22.904 4.614 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.005 3.642 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.869 4.485 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 12 24.263 2.001 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.925 1.450 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.699 2.008 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.575 3.103 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.700 2.295 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.264 3.981 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.849 3.471 0.959 1.00 0.00 H new ATOM 215 N LYS A 13 25.134 7.049 -0.234 1.00 0.00 N ATOM 216 CA LYS A 13 25.605 8.177 0.560 1.00 0.00 C ATOM 217 C LYS A 13 24.442 9.066 0.988 1.00 0.00 C ATOM 218 O LYS A 13 24.487 9.698 2.043 1.00 0.00 O ATOM 219 CB LYS A 13 26.621 8.998 -0.237 1.00 0.00 C ATOM 220 CG LYS A 13 26.273 9.134 -1.709 1.00 0.00 C ATOM 221 CD LYS A 13 26.253 10.589 -2.146 1.00 0.00 C ATOM 222 CE LYS A 13 26.925 10.775 -3.498 1.00 0.00 C ATOM 223 NZ LYS A 13 27.535 12.126 -3.633 1.00 0.00 N ATOM 0 H LYS A 13 25.559 6.978 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 13 26.086 7.783 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.697 9.992 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.603 8.533 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.999 8.584 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.298 8.684 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.222 10.940 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.759 11.201 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.695 10.014 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.192 10.627 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.983 12.213 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.797 12.852 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.253 12.259 -2.892 1.00 0.00 H new ATOM 237 N ILE A 14 23.400 9.107 0.164 1.00 0.00 N ATOM 238 CA ILE A 14 22.224 9.916 0.459 1.00 0.00 C ATOM 239 C ILE A 14 21.546 9.451 1.743 1.00 0.00 C ATOM 240 O ILE A 14 21.338 10.237 2.668 1.00 0.00 O ATOM 241 CB ILE A 14 21.204 9.868 -0.694 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.900 10.130 -2.031 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.094 10.881 -0.460 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.946 10.494 -3.147 1.00 0.00 C ATOM 0 H ILE A 14 23.347 8.589 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 14 22.570 10.942 0.584 1.00 0.00 H new ATOM 0 HB ILE A 14 20.760 8.873 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.622 10.936 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.462 9.242 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.381 10.836 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.584 10.652 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.521 11.882 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.508 10.666 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.239 9.679 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.402 11.400 -2.880 1.00 0.00 H new ATOM 256 N LEU A 15 21.204 8.168 1.794 1.00 0.00 N ATOM 257 CA LEU A 15 20.551 7.596 2.966 1.00 0.00 C ATOM 258 C LEU A 15 21.488 7.602 4.170 1.00 0.00 C ATOM 259 O LEU A 15 21.080 7.927 5.286 1.00 0.00 O ATOM 260 CB LEU A 15 20.090 6.168 2.672 1.00 0.00 C ATOM 261 CG LEU A 15 18.955 6.024 1.657 1.00 0.00 C ATOM 262 CD1 LEU A 15 17.708 6.744 2.146 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.384 6.559 0.298 1.00 0.00 C ATOM 0 H LEU A 15 21.368 7.504 1.037 1.00 0.00 H new ATOM 0 HA LEU A 15 19.682 8.210 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.947 5.598 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.773 5.710 3.609 1.00 0.00 H new ATOM 0 HG LEU A 15 18.720 4.965 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.911 6.631 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.389 6.315 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.929 7.803 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.564 6.449 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.646 7.613 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.249 5.999 -0.057 1.00 0.00 H new ATOM 275 N HIS A 16 22.746 7.244 3.935 1.00 0.00 N ATOM 276 CA HIS A 16 23.743 7.211 5.000 1.00 0.00 C ATOM 277 C HIS A 16 23.838 8.565 5.697 1.00 0.00 C ATOM 278 O HIS A 16 23.796 8.646 6.924 1.00 0.00 O ATOM 279 CB HIS A 16 25.109 6.817 4.436 1.00 0.00 C ATOM 280 CG HIS A 16 25.293 5.337 4.293 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.515 4.714 4.435 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.402 4.356 4.021 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.367 3.414 4.254 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.094 3.170 4.002 1.00 0.00 N ATOM 0 H HIS A 16 23.100 6.973 3.017 1.00 0.00 H new ATOM 0 HA HIS A 16 23.432 6.466 5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.240 7.287 3.461 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.889 7.211 5.087 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.395 5.184 4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.343 4.482 3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.154 2.676 4.304 1.00 0.00 H new ATOM 292 N ALA A 17 23.968 9.624 4.905 1.00 0.00 N ATOM 293 CA ALA A 17 24.068 10.974 5.447 1.00 0.00 C ATOM 294 C ALA A 17 22.784 11.374 6.165 1.00 0.00 C ATOM 295 O ALA A 17 22.752 12.365 6.894 1.00 0.00 O ATOM 296 CB ALA A 17 24.385 11.965 4.337 1.00 0.00 C ATOM 0 H ALA A 17 24.007 9.574 3.887 1.00 0.00 H new ATOM 0 HA ALA A 17 24.879 10.988 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.457 12.969 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.333 11.698 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.592 11.939 3.589 1.00 0.00 H new ATOM 302 N ALA A 18 21.726 10.598 5.953 1.00 0.00 N ATOM 303 CA ALA A 18 20.440 10.871 6.581 1.00 0.00 C ATOM 304 C ALA A 18 20.258 10.037 7.845 1.00 0.00 C ATOM 305 O ALA A 18 19.172 9.996 8.423 1.00 0.00 O ATOM 306 CB ALA A 18 19.306 10.602 5.602 1.00 0.00 C ATOM 0 H ALA A 18 21.735 9.775 5.351 1.00 0.00 H new ATOM 0 HA ALA A 18 20.419 11.923 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.351 10.810 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.419 11.245 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.335 9.558 5.290 1.00 0.00 H new ATOM 312 N GLY A 19 21.329 9.373 8.270 1.00 0.00 N ATOM 313 CA GLY A 19 21.265 8.548 9.462 1.00 0.00 C ATOM 314 C GLY A 19 21.094 7.077 9.141 1.00 0.00 C ATOM 315 O GLY A 19 20.829 6.268 10.030 1.00 0.00 O ATOM 0 H GLY A 19 22.239 9.392 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.176 8.686 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.435 8.880 10.085 1.00 0.00 H new ATOM 319 N ALA A 20 21.244 6.729 7.867 1.00 0.00 N ATOM 320 CA ALA A 20 21.104 5.345 7.432 1.00 0.00 C ATOM 321 C ALA A 20 22.458 4.646 7.381 1.00 0.00 C ATOM 322 O ALA A 20 23.493 5.259 7.646 1.00 0.00 O ATOM 323 CB ALA A 20 20.426 5.286 6.071 1.00 0.00 C ATOM 0 H ALA A 20 21.462 7.387 7.118 1.00 0.00 H new ATOM 0 HA ALA A 20 20.482 4.823 8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.328 4.246 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.437 5.740 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.027 5.829 5.341 1.00 0.00 H new ATOM 329 N GLN A 21 22.444 3.362 7.041 1.00 0.00 N ATOM 330 CA GLN A 21 23.672 2.580 6.957 1.00 0.00 C ATOM 331 C GLN A 21 23.364 1.107 6.710 1.00 0.00 C ATOM 332 O GLN A 21 22.663 0.469 7.494 1.00 0.00 O ATOM 333 CB GLN A 21 24.487 2.733 8.243 1.00 0.00 C ATOM 334 CG GLN A 21 25.941 3.104 8.000 1.00 0.00 C ATOM 335 CD GLN A 21 26.291 4.478 8.538 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.037 5.509 7.740 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 26.784 4.612 9.658 1.00 0.00 N flip ATOM 0 H GLN A 21 21.596 2.841 6.819 1.00 0.00 H new ATOM 0 HA GLN A 21 24.256 2.956 6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.025 3.498 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.448 1.798 8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.585 2.360 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.146 3.074 6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 21 26.963 3.792 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.014 5.543 10.006 1.00 0.00 H new ATOM 346 N GLY A 22 23.892 0.573 5.612 1.00 0.00 N ATOM 347 CA GLY A 22 23.662 -0.821 5.281 1.00 0.00 C ATOM 348 C GLY A 22 23.740 -1.082 3.790 1.00 0.00 C ATOM 349 O GLY A 22 24.825 -1.089 3.211 1.00 0.00 O ATOM 0 H GLY A 22 24.475 1.081 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.398 -1.440 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.681 -1.122 5.649 1.00 0.00 H new ATOM 353 N GLU A 23 22.585 -1.300 3.167 1.00 0.00 N ATOM 354 CA GLU A 23 22.529 -1.566 1.735 1.00 0.00 C ATOM 355 C GLU A 23 21.091 -1.803 1.281 1.00 0.00 C ATOM 356 O GLU A 23 20.718 -1.457 0.161 1.00 0.00 O ATOM 357 CB GLU A 23 23.392 -2.780 1.385 1.00 0.00 C ATOM 358 CG GLU A 23 24.646 -2.430 0.601 1.00 0.00 C ATOM 359 CD GLU A 23 25.663 -3.554 0.596 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.280 -4.702 0.287 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.844 -3.286 0.901 1.00 0.00 O ATOM 0 H GLU A 23 21.677 -1.297 3.632 1.00 0.00 H new ATOM 0 HA GLU A 23 22.917 -0.691 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.679 -3.288 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.796 -3.484 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.372 -2.188 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.100 -1.536 1.029 1.00 0.00 H new ATOM 368 N MET A 24 20.290 -2.395 2.161 1.00 0.00 N ATOM 369 CA MET A 24 18.893 -2.677 1.852 1.00 0.00 C ATOM 370 C MET A 24 17.964 -1.787 2.671 1.00 0.00 C ATOM 371 O MET A 24 18.233 -1.500 3.838 1.00 0.00 O ATOM 372 CB MET A 24 18.576 -4.150 2.121 1.00 0.00 C ATOM 373 CG MET A 24 19.803 -4.984 2.452 1.00 0.00 C ATOM 374 SD MET A 24 20.263 -4.884 4.192 1.00 0.00 S ATOM 375 CE MET A 24 22.045 -5.017 4.080 1.00 0.00 C ATOM 0 H MET A 24 20.584 -2.688 3.093 1.00 0.00 H new ATOM 0 HA MET A 24 18.731 -2.465 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.868 -4.216 2.947 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.084 -4.573 1.245 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.611 -6.025 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 24 20.640 -4.650 1.839 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.415 -5.645 4.890 1.00 0.00 H new ATOM 0 HE2 MET A 24 22.317 -5.462 3.123 1.00 0.00 H new ATOM 0 HE3 MET A 24 22.490 -4.025 4.158 1.00 0.00 H new ATOM 385 N PHE A 25 16.870 -1.354 2.054 1.00 0.00 N ATOM 386 CA PHE A 25 15.902 -0.495 2.726 1.00 0.00 C ATOM 387 C PHE A 25 14.564 -0.504 1.992 1.00 0.00 C ATOM 388 O PHE A 25 14.502 -0.783 0.794 1.00 0.00 O ATOM 389 CB PHE A 25 16.436 0.935 2.820 1.00 0.00 C ATOM 390 CG PHE A 25 17.775 1.033 3.492 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.940 0.780 2.786 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.869 1.377 4.831 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.174 0.869 3.402 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.100 1.468 5.452 1.00 0.00 C ATOM 395 CZ PHE A 25 20.254 1.212 4.737 1.00 0.00 C ATOM 0 H PHE A 25 16.631 -1.584 1.089 1.00 0.00 H new ATOM 0 HA PHE A 25 15.746 -0.884 3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.511 1.353 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.719 1.547 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.883 0.510 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.970 1.576 5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 25 21.075 0.671 2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.160 1.739 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.217 1.280 5.221 1.00 0.00 H new ATOM 405 N THR A 26 13.494 -0.198 2.719 1.00 0.00 N ATOM 406 CA THR A 26 12.158 -0.172 2.139 1.00 0.00 C ATOM 407 C THR A 26 11.747 1.248 1.766 1.00 0.00 C ATOM 408 O THR A 26 12.508 2.196 1.962 1.00 0.00 O ATOM 409 CB THR A 26 11.113 -0.759 3.107 1.00 0.00 C ATOM 410 OG1 THR A 26 11.680 -0.895 4.415 1.00 0.00 O ATOM 411 CG2 THR A 26 10.623 -2.113 2.618 1.00 0.00 C ATOM 0 H THR A 26 13.527 0.035 3.711 1.00 0.00 H new ATOM 0 HA THR A 26 12.193 -0.785 1.239 1.00 0.00 H new ATOM 0 HB THR A 26 10.264 -0.077 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.009 -1.267 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.886 -2.508 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.166 -2.001 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.465 -2.802 2.551 1.00 0.00 H new ATOM 419 N VAL A 27 10.540 1.388 1.229 1.00 0.00 N ATOM 420 CA VAL A 27 10.027 2.694 0.830 1.00 0.00 C ATOM 421 C VAL A 27 9.939 3.637 2.024 1.00 0.00 C ATOM 422 O VAL A 27 10.290 4.814 1.928 1.00 0.00 O ATOM 423 CB VAL A 27 8.636 2.576 0.179 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.366 3.771 -0.723 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.521 1.274 -0.599 1.00 0.00 C ATOM 0 H VAL A 27 9.898 0.613 1.060 1.00 0.00 H new ATOM 0 HA VAL A 27 10.728 3.100 0.100 1.00 0.00 H new ATOM 0 HB VAL A 27 7.884 2.569 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.379 3.671 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.404 4.687 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.121 3.812 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.532 1.207 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.281 1.249 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.668 0.432 0.077 1.00 0.00 H new ATOM 435 N LYS A 28 9.469 3.114 3.151 1.00 0.00 N ATOM 436 CA LYS A 28 9.336 3.908 4.367 1.00 0.00 C ATOM 437 C LYS A 28 10.696 4.411 4.840 1.00 0.00 C ATOM 438 O LYS A 28 10.842 5.575 5.210 1.00 0.00 O ATOM 439 CB LYS A 28 8.674 3.081 5.471 1.00 0.00 C ATOM 440 CG LYS A 28 7.157 3.158 5.463 1.00 0.00 C ATOM 441 CD LYS A 28 6.534 1.841 5.033 1.00 0.00 C ATOM 442 CE LYS A 28 7.058 0.679 5.862 1.00 0.00 C ATOM 443 NZ LYS A 28 6.000 -0.333 6.131 1.00 0.00 N ATOM 0 H LYS A 28 9.173 2.143 3.248 1.00 0.00 H new ATOM 0 HA LYS A 28 8.708 4.770 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.977 2.039 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.042 3.422 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.800 3.423 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.836 3.951 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.450 1.901 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.748 1.663 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.889 0.205 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.449 1.055 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.216 -0.834 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.079 0.142 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.965 -1.015 5.347 1.00 0.00 H new ATOM 457 N GLU A 29 11.688 3.526 4.824 1.00 0.00 N ATOM 458 CA GLU A 29 13.036 3.882 5.251 1.00 0.00 C ATOM 459 C GLU A 29 13.615 4.980 4.364 1.00 0.00 C ATOM 460 O GLU A 29 14.036 6.030 4.850 1.00 0.00 O ATOM 461 CB GLU A 29 13.946 2.653 5.220 1.00 0.00 C ATOM 462 CG GLU A 29 14.179 2.033 6.588 1.00 0.00 C ATOM 463 CD GLU A 29 15.019 2.915 7.492 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.813 4.147 7.475 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.880 2.374 8.216 1.00 0.00 O ATOM 0 H GLU A 29 11.583 2.558 4.520 1.00 0.00 H new ATOM 0 HA GLU A 29 12.979 4.257 6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.508 1.904 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.907 2.934 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.218 1.841 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.672 1.069 6.467 1.00 0.00 H new ATOM 472 N VAL A 30 13.635 4.730 3.058 1.00 0.00 N ATOM 473 CA VAL A 30 14.162 5.696 2.102 1.00 0.00 C ATOM 474 C VAL A 30 13.511 7.062 2.286 1.00 0.00 C ATOM 475 O VAL A 30 14.190 8.089 2.290 1.00 0.00 O ATOM 476 CB VAL A 30 13.943 5.227 0.652 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.563 6.212 -0.328 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.515 3.831 0.451 1.00 0.00 C ATOM 0 H VAL A 30 13.292 3.866 2.638 1.00 0.00 H new ATOM 0 HA VAL A 30 15.232 5.778 2.292 1.00 0.00 H new ATOM 0 HB VAL A 30 12.871 5.187 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.398 5.864 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.102 7.191 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.634 6.288 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.351 3.516 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.584 3.842 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.020 3.134 1.127 1.00 0.00 H new ATOM 488 N MET A 31 12.191 7.067 2.439 1.00 0.00 N ATOM 489 CA MET A 31 11.448 8.308 2.626 1.00 0.00 C ATOM 490 C MET A 31 11.803 8.959 3.959 1.00 0.00 C ATOM 491 O MET A 31 11.994 10.173 4.038 1.00 0.00 O ATOM 492 CB MET A 31 9.943 8.042 2.560 1.00 0.00 C ATOM 493 CG MET A 31 9.182 8.552 3.773 1.00 0.00 C ATOM 494 SD MET A 31 9.210 10.350 3.904 1.00 0.00 S ATOM 495 CE MET A 31 9.222 10.816 2.175 1.00 0.00 C ATOM 0 H MET A 31 11.614 6.226 2.437 1.00 0.00 H new ATOM 0 HA MET A 31 11.724 8.991 1.823 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.538 8.512 1.664 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.776 6.969 2.461 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.148 8.212 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.613 8.119 4.676 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.043 11.887 2.086 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.191 10.572 1.739 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.439 10.272 1.646 1.00 0.00 H new ATOM 505 N HIS A 32 11.890 8.144 5.006 1.00 0.00 N ATOM 506 CA HIS A 32 12.223 8.641 6.336 1.00 0.00 C ATOM 507 C HIS A 32 13.627 9.239 6.358 1.00 0.00 C ATOM 508 O HIS A 32 13.908 10.161 7.124 1.00 0.00 O ATOM 509 CB HIS A 32 12.119 7.515 7.365 1.00 0.00 C ATOM 510 CG HIS A 32 11.735 7.987 8.734 1.00 0.00 C ATOM 511 ND1 HIS A 32 10.611 7.541 9.396 1.00 0.00 N ATOM 512 CD2 HIS A 32 12.334 8.871 9.566 1.00 0.00 C ATOM 513 CE1 HIS A 32 10.535 8.131 10.576 1.00 0.00 C ATOM 514 NE2 HIS A 32 11.569 8.943 10.703 1.00 0.00 N ATOM 0 H HIS A 32 11.735 7.137 4.959 1.00 0.00 H new ATOM 0 HA HIS A 32 11.510 9.425 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.384 6.787 7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.077 6.998 7.423 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.245 9.418 9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.759 7.976 11.311 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.767 9.529 11.514 1.00 0.00 H new ATOM 522 N TYR A 33 14.503 8.707 5.514 1.00 0.00 N ATOM 523 CA TYR A 33 15.879 9.185 5.438 1.00 0.00 C ATOM 524 C TYR A 33 15.951 10.521 4.705 1.00 0.00 C ATOM 525 O TYR A 33 16.821 11.348 4.981 1.00 0.00 O ATOM 526 CB TYR A 33 16.761 8.154 4.733 1.00 0.00 C ATOM 527 CG TYR A 33 17.095 6.955 5.591 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.829 7.096 6.763 1.00 0.00 C ATOM 529 CD2 TYR A 33 16.676 5.680 5.230 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.137 6.003 7.549 1.00 0.00 C ATOM 531 CE2 TYR A 33 16.978 4.581 6.011 1.00 0.00 C ATOM 532 CZ TYR A 33 17.709 4.747 7.169 1.00 0.00 C ATOM 533 OH TYR A 33 18.012 3.656 7.950 1.00 0.00 O ATOM 0 H TYR A 33 14.285 7.944 4.872 1.00 0.00 H new ATOM 0 HA TYR A 33 16.244 9.329 6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.256 7.814 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.687 8.635 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.164 8.077 7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.105 5.546 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.710 6.130 8.456 1.00 0.00 H new ATOM 0 HE2 TYR A 33 16.644 3.597 5.716 1.00 0.00 H new ATOM 0 HH TYR A 33 17.461 2.894 7.675 1.00 0.00 H new ATOM 543 N LEU A 34 15.032 10.724 3.767 1.00 0.00 N ATOM 544 CA LEU A 34 14.990 11.959 2.992 1.00 0.00 C ATOM 545 C LEU A 34 15.038 13.178 3.908 1.00 0.00 C ATOM 546 O LEU A 34 15.896 14.047 3.757 1.00 0.00 O ATOM 547 CB LEU A 34 13.725 12.002 2.134 1.00 0.00 C ATOM 548 CG LEU A 34 13.934 11.877 0.624 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.788 13.024 0.107 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.571 10.538 0.283 1.00 0.00 C ATOM 0 H LEU A 34 14.306 10.049 3.525 1.00 0.00 H new ATOM 0 HA LEU A 34 15.864 11.981 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.063 11.198 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.207 12.940 2.333 1.00 0.00 H new ATOM 0 HG LEU A 34 12.961 11.928 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.926 12.918 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.291 13.971 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.759 13.006 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.712 10.466 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.537 10.457 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.921 9.730 0.618 1.00 0.00 H new ATOM 562 N GLY A 35 14.111 13.235 4.860 1.00 0.00 N ATOM 563 CA GLY A 35 14.067 14.350 5.787 1.00 0.00 C ATOM 564 C GLY A 35 15.398 14.587 6.473 1.00 0.00 C ATOM 565 O GLY A 35 15.873 15.719 6.545 1.00 0.00 O ATOM 0 H GLY A 35 13.390 12.528 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.772 15.252 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.302 14.162 6.540 1.00 0.00 H new ATOM 569 N GLN A 36 16.000 13.515 6.980 1.00 0.00 N ATOM 570 CA GLN A 36 17.283 13.612 7.665 1.00 0.00 C ATOM 571 C GLN A 36 18.354 14.179 6.739 1.00 0.00 C ATOM 572 O GLN A 36 19.154 15.023 7.142 1.00 0.00 O ATOM 573 CB GLN A 36 17.714 12.239 8.183 1.00 0.00 C ATOM 574 CG GLN A 36 16.843 11.715 9.314 1.00 0.00 C ATOM 575 CD GLN A 36 17.655 11.221 10.495 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.635 10.035 10.825 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.375 12.132 11.140 1.00 0.00 N ATOM 0 H GLN A 36 15.619 12.570 6.929 1.00 0.00 H new ATOM 0 HA GLN A 36 17.164 14.290 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.693 11.526 7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.746 12.297 8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.170 12.506 9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.220 10.902 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.362 13.104 10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.941 11.859 11.943 1.00 0.00 H new ATOM 586 N TYR A 37 18.363 13.709 5.497 1.00 0.00 N ATOM 587 CA TYR A 37 19.337 14.166 4.513 1.00 0.00 C ATOM 588 C TYR A 37 19.216 15.669 4.285 1.00 0.00 C ATOM 589 O TYR A 37 20.212 16.393 4.302 1.00 0.00 O ATOM 590 CB TYR A 37 19.147 13.421 3.191 1.00 0.00 C ATOM 591 CG TYR A 37 20.083 13.882 2.096 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.431 13.547 2.121 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.618 14.651 1.037 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.289 13.967 1.123 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.469 15.074 0.034 1.00 0.00 C ATOM 596 CZ TYR A 37 21.804 14.730 0.082 1.00 0.00 C ATOM 597 OH TYR A 37 22.655 15.148 -0.915 1.00 0.00 O ATOM 0 H TYR A 37 17.706 13.011 5.147 1.00 0.00 H new ATOM 0 HA TYR A 37 20.334 13.955 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.296 12.355 3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.118 13.550 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.815 12.948 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.574 14.923 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.335 13.699 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.091 15.671 -0.783 1.00 0.00 H new ATOM 0 HH TYR A 37 23.375 14.493 -1.027 1.00 0.00 H new ATOM 607 N ILE A 38 17.989 16.132 4.072 1.00 0.00 N ATOM 608 CA ILE A 38 17.736 17.549 3.841 1.00 0.00 C ATOM 609 C ILE A 38 18.207 18.390 5.023 1.00 0.00 C ATOM 610 O ILE A 38 18.921 19.377 4.849 1.00 0.00 O ATOM 611 CB ILE A 38 16.240 17.821 3.596 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.721 16.945 2.454 1.00 0.00 C ATOM 613 CG2 ILE A 38 16.013 19.293 3.287 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.217 16.781 2.454 1.00 0.00 C ATOM 0 H ILE A 38 17.154 15.546 4.055 1.00 0.00 H new ATOM 0 HA ILE A 38 18.298 17.830 2.950 1.00 0.00 H new ATOM 0 HB ILE A 38 15.687 17.571 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.031 17.380 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.186 15.961 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.951 19.469 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.351 19.898 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.575 19.568 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.920 16.148 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.901 16.318 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.744 17.758 2.356 1.00 0.00 H new ATOM 626 N MET A 39 17.804 17.991 6.225 1.00 0.00 N ATOM 627 CA MET A 39 18.187 18.707 7.436 1.00 0.00 C ATOM 628 C MET A 39 19.702 18.696 7.617 1.00 0.00 C ATOM 629 O MET A 39 20.283 19.652 8.131 1.00 0.00 O ATOM 630 CB MET A 39 17.510 18.085 8.658 1.00 0.00 C ATOM 631 CG MET A 39 18.479 17.387 9.600 1.00 0.00 C ATOM 632 SD MET A 39 17.672 16.756 11.084 1.00 0.00 S ATOM 633 CE MET A 39 16.549 18.101 11.456 1.00 0.00 C ATOM 0 H MET A 39 17.212 17.176 6.386 1.00 0.00 H new ATOM 0 HA MET A 39 17.858 19.741 7.336 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.981 18.865 9.206 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.761 17.367 8.323 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.960 16.562 9.074 1.00 0.00 H new ATOM 0 HG3 MET A 39 19.266 18.084 9.888 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.162 17.982 12.468 1.00 0.00 H new ATOM 0 HE2 MET A 39 17.080 19.050 11.380 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.721 18.090 10.747 1.00 0.00 H new ATOM 643 N VAL A 40 20.336 17.607 7.192 1.00 0.00 N ATOM 644 CA VAL A 40 21.783 17.472 7.308 1.00 0.00 C ATOM 645 C VAL A 40 22.501 18.392 6.327 1.00 0.00 C ATOM 646 O VAL A 40 23.553 18.952 6.638 1.00 0.00 O ATOM 647 CB VAL A 40 22.233 16.021 7.056 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.948 15.907 5.719 1.00 0.00 C ATOM 649 CG2 VAL A 40 23.124 15.536 8.190 1.00 0.00 C ATOM 0 H VAL A 40 19.870 16.806 6.765 1.00 0.00 H new ATOM 0 HA VAL A 40 22.047 17.755 8.327 1.00 0.00 H new ATOM 0 HB VAL A 40 21.348 15.385 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.258 14.874 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.274 16.211 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.826 16.554 5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.433 14.509 7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.006 16.173 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.573 15.578 9.129 1.00 0.00 H new ATOM 659 N LYS A 41 21.926 18.545 5.138 1.00 0.00 N ATOM 660 CA LYS A 41 22.509 19.399 4.110 1.00 0.00 C ATOM 661 C LYS A 41 22.045 20.843 4.274 1.00 0.00 C ATOM 662 O LYS A 41 22.599 21.755 3.663 1.00 0.00 O ATOM 663 CB LYS A 41 22.131 18.886 2.718 1.00 0.00 C ATOM 664 CG LYS A 41 23.090 17.840 2.175 1.00 0.00 C ATOM 665 CD LYS A 41 24.517 18.360 2.134 1.00 0.00 C ATOM 666 CE LYS A 41 25.381 17.700 3.198 1.00 0.00 C ATOM 667 NZ LYS A 41 26.820 17.687 2.814 1.00 0.00 N ATOM 0 H LYS A 41 21.056 18.088 4.863 1.00 0.00 H new ATOM 0 HA LYS A 41 23.593 19.370 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.128 18.462 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.095 19.728 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.045 16.946 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.780 17.546 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.945 18.174 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.516 19.440 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.262 18.230 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.039 16.678 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.375 17.229 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.937 17.159 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.153 18.663 2.683 1.00 0.00 H new ATOM 681 N GLN A 42 21.026 21.041 5.105 1.00 0.00 N ATOM 682 CA GLN A 42 20.489 22.375 5.349 1.00 0.00 C ATOM 683 C GLN A 42 19.867 22.952 4.082 1.00 0.00 C ATOM 684 O GLN A 42 20.336 23.960 3.551 1.00 0.00 O ATOM 685 CB GLN A 42 21.590 23.305 5.861 1.00 0.00 C ATOM 686 CG GLN A 42 21.639 23.414 7.376 1.00 0.00 C ATOM 687 CD GLN A 42 21.673 22.061 8.058 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.261 21.076 7.389 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 21.177 21.903 9.174 1.00 0.00 N flip ATOM 0 H GLN A 42 20.557 20.296 5.620 1.00 0.00 H new ATOM 0 HA GLN A 42 19.711 22.293 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.554 22.947 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.440 24.299 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.520 23.985 7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.769 23.971 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.735 22.689 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.208 20.987 9.621 1.00 0.00 H new ATOM 698 N LEU A 43 18.810 22.307 3.601 1.00 0.00 N ATOM 699 CA LEU A 43 18.124 22.756 2.395 1.00 0.00 C ATOM 700 C LEU A 43 16.625 22.896 2.641 1.00 0.00 C ATOM 701 O LEU A 43 15.812 22.268 1.962 1.00 0.00 O ATOM 702 CB LEU A 43 18.374 21.777 1.247 1.00 0.00 C ATOM 703 CG LEU A 43 19.839 21.482 0.924 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.018 20.020 0.544 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.332 22.390 -0.194 1.00 0.00 C ATOM 0 H LEU A 43 18.410 21.472 4.028 1.00 0.00 H new ATOM 0 HA LEU A 43 18.522 23.734 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.878 20.836 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.897 22.171 0.350 1.00 0.00 H new ATOM 0 HG LEU A 43 20.435 21.680 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.067 19.829 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.705 19.387 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.411 19.795 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.377 22.166 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.732 22.224 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.241 23.431 0.116 1.00 0.00 H new ATOM 717 N TYR A 44 16.266 23.725 3.615 1.00 0.00 N ATOM 718 CA TYR A 44 14.864 23.947 3.951 1.00 0.00 C ATOM 719 C TYR A 44 14.693 25.241 4.742 1.00 0.00 C ATOM 720 O TYR A 44 15.655 25.780 5.288 1.00 0.00 O ATOM 721 CB TYR A 44 14.318 22.768 4.757 1.00 0.00 C ATOM 722 CG TYR A 44 15.069 22.515 6.046 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.418 22.185 6.034 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.428 22.609 7.275 1.00 0.00 C ATOM 725 CE1 TYR A 44 17.107 21.953 7.208 1.00 0.00 C ATOM 726 CE2 TYR A 44 15.109 22.380 8.455 1.00 0.00 C ATOM 727 CZ TYR A 44 16.448 22.052 8.416 1.00 0.00 C ATOM 728 OH TYR A 44 17.132 21.823 9.589 1.00 0.00 O ATOM 0 H TYR A 44 16.926 24.254 4.185 1.00 0.00 H new ATOM 0 HA TYR A 44 14.302 24.033 3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.269 22.952 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.357 21.869 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.937 22.109 5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.379 22.865 7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 44 18.156 21.696 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.596 22.457 9.402 1.00 0.00 H new ATOM 0 HH TYR A 44 16.524 21.934 10.349 1.00 0.00 H new ATOM 738 N ASP A 45 13.460 25.733 4.798 1.00 0.00 N ATOM 739 CA ASP A 45 13.159 26.962 5.522 1.00 0.00 C ATOM 740 C ASP A 45 13.069 26.700 7.023 1.00 0.00 C ATOM 741 O ASP A 45 12.171 25.997 7.486 1.00 0.00 O ATOM 742 CB ASP A 45 11.849 27.569 5.018 1.00 0.00 C ATOM 743 CG ASP A 45 11.286 28.604 5.972 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.084 29.341 6.588 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.046 28.678 6.101 1.00 0.00 O ATOM 0 H ASP A 45 12.653 25.299 4.350 1.00 0.00 H new ATOM 0 HA ASP A 45 13.970 27.668 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.016 28.029 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.116 26.775 4.874 1.00 0.00 H new ATOM 750 N GLN A 46 14.004 27.270 7.775 1.00 0.00 N ATOM 751 CA GLN A 46 14.030 27.097 9.223 1.00 0.00 C ATOM 752 C GLN A 46 12.734 27.595 9.854 1.00 0.00 C ATOM 753 O GLN A 46 12.384 27.201 10.966 1.00 0.00 O ATOM 754 CB GLN A 46 15.223 27.840 9.825 1.00 0.00 C ATOM 755 CG GLN A 46 16.476 26.986 9.941 1.00 0.00 C ATOM 756 CD GLN A 46 17.159 26.769 8.605 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.391 26.343 7.609 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 18.364 26.982 8.469 1.00 0.00 N flip ATOM 0 H GLN A 46 14.754 27.855 7.406 1.00 0.00 H new ATOM 0 HA GLN A 46 14.130 26.032 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.444 28.713 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.950 28.207 10.815 1.00 0.00 H new ATOM 0 HG2 GLN A 46 17.174 27.463 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.214 26.020 10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 46 18.917 27.309 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 46 18.810 26.832 7.564 1.00 0.00 H new ATOM 767 N GLN A 47 12.027 28.462 9.137 1.00 0.00 N ATOM 768 CA GLN A 47 10.771 29.015 9.628 1.00 0.00 C ATOM 769 C GLN A 47 9.600 28.105 9.271 1.00 0.00 C ATOM 770 O GLN A 47 8.546 28.157 9.904 1.00 0.00 O ATOM 771 CB GLN A 47 10.542 30.412 9.049 1.00 0.00 C ATOM 772 CG GLN A 47 11.818 31.224 8.898 1.00 0.00 C ATOM 773 CD GLN A 47 12.819 30.951 10.004 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.843 30.163 9.695 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.673 31.441 11.124 1.00 0.00 N flip ATOM 0 H GLN A 47 12.303 28.797 8.214 1.00 0.00 H new ATOM 0 HA GLN A 47 10.835 29.087 10.714 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.063 30.318 8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.850 30.954 9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.276 30.998 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.570 32.285 8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.871 32.041 11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.354 31.247 11.858 1.00 0.00 H new ATOM 784 N GLU A 48 9.792 27.274 8.252 1.00 0.00 N ATOM 785 CA GLU A 48 8.750 26.354 7.810 1.00 0.00 C ATOM 786 C GLU A 48 9.358 25.067 7.260 1.00 0.00 C ATOM 787 O GLU A 48 9.500 24.905 6.048 1.00 0.00 O ATOM 788 CB GLU A 48 7.875 27.015 6.742 1.00 0.00 C ATOM 789 CG GLU A 48 7.293 28.351 7.174 1.00 0.00 C ATOM 790 CD GLU A 48 6.322 28.919 6.158 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.400 28.525 4.975 1.00 0.00 O ATOM 792 OE2 GLU A 48 5.482 29.759 6.545 1.00 0.00 O ATOM 0 H GLU A 48 10.659 27.219 7.717 1.00 0.00 H new ATOM 0 HA GLU A 48 8.132 26.104 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.467 27.161 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.060 26.340 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.783 28.229 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.104 29.062 7.333 1.00 0.00 H new ATOM 799 N GLN A 49 9.715 24.157 8.159 1.00 0.00 N ATOM 800 CA GLN A 49 10.308 22.885 7.764 1.00 0.00 C ATOM 801 C GLN A 49 9.425 22.162 6.753 1.00 0.00 C ATOM 802 O GLN A 49 9.877 21.255 6.053 1.00 0.00 O ATOM 803 CB GLN A 49 10.530 21.998 8.991 1.00 0.00 C ATOM 804 CG GLN A 49 11.121 22.740 10.179 1.00 0.00 C ATOM 805 CD GLN A 49 12.494 22.224 10.564 1.00 0.00 C ATOM 806 OE1 GLN A 49 12.829 21.067 10.308 1.00 0.00 O ATOM 807 NE2 GLN A 49 13.297 23.081 11.183 1.00 0.00 N ATOM 0 H GLN A 49 9.604 24.276 9.166 1.00 0.00 H new ATOM 0 HA GLN A 49 11.270 23.093 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.579 21.556 9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.193 21.176 8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.189 23.802 9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.449 22.646 11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.978 24.031 11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.233 22.790 11.466 1.00 0.00 H new ATOM 816 N HIS A 50 8.161 22.570 6.681 1.00 0.00 N ATOM 817 CA HIS A 50 7.213 21.961 5.754 1.00 0.00 C ATOM 818 C HIS A 50 7.462 22.443 4.328 1.00 0.00 C ATOM 819 O HIS A 50 6.745 22.066 3.402 1.00 0.00 O ATOM 820 CB HIS A 50 5.779 22.286 6.172 1.00 0.00 C ATOM 821 CG HIS A 50 5.334 23.657 5.769 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.937 24.142 4.568 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 5.262 24.715 6.650 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 4.635 25.470 4.745 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 4.839 25.791 6.010 1.00 0.00 N flip ATOM 0 H HIS A 50 7.770 23.319 7.253 1.00 0.00 H new ATOM 0 HA HIS A 50 7.356 20.881 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.106 21.550 5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.694 22.189 7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.512 24.671 7.700 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.287 26.143 3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.695 26.713 6.423 1.00 0.00 H new ATOM 833 N MET A 51 8.482 23.278 4.160 1.00 0.00 N ATOM 834 CA MET A 51 8.824 23.811 2.847 1.00 0.00 C ATOM 835 C MET A 51 10.293 23.556 2.523 1.00 0.00 C ATOM 836 O MET A 51 11.160 24.369 2.843 1.00 0.00 O ATOM 837 CB MET A 51 8.530 25.311 2.789 1.00 0.00 C ATOM 838 CG MET A 51 7.049 25.636 2.682 1.00 0.00 C ATOM 839 SD MET A 51 6.579 26.198 1.034 1.00 0.00 S ATOM 840 CE MET A 51 7.576 25.118 0.011 1.00 0.00 C ATOM 0 H MET A 51 9.086 23.600 4.916 1.00 0.00 H new ATOM 0 HA MET A 51 8.212 23.300 2.104 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.934 25.787 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.051 25.742 1.934 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.467 24.751 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.796 26.407 3.410 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.200 25.137 -1.012 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.611 25.458 0.024 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.524 24.100 0.398 1.00 0.00 H new ATOM 850 N VAL A 52 10.566 22.422 1.886 1.00 0.00 N ATOM 851 CA VAL A 52 11.930 22.060 1.518 1.00 0.00 C ATOM 852 C VAL A 52 12.493 23.026 0.481 1.00 0.00 C ATOM 853 O VAL A 52 11.789 23.449 -0.435 1.00 0.00 O ATOM 854 CB VAL A 52 11.999 20.627 0.960 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.388 20.333 0.414 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.614 19.618 2.032 1.00 0.00 C ATOM 0 H VAL A 52 9.860 21.738 1.614 1.00 0.00 H new ATOM 0 HA VAL A 52 12.529 22.117 2.427 1.00 0.00 H new ATOM 0 HB VAL A 52 11.286 20.541 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.418 19.316 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.621 21.035 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.122 20.437 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.668 18.610 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.300 19.703 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.597 19.817 2.371 1.00 0.00 H new ATOM 866 N TYR A 53 13.768 23.369 0.632 1.00 0.00 N ATOM 867 CA TYR A 53 14.426 24.286 -0.290 1.00 0.00 C ATOM 868 C TYR A 53 15.589 23.602 -1.002 1.00 0.00 C ATOM 869 O TYR A 53 16.749 23.771 -0.625 1.00 0.00 O ATOM 870 CB TYR A 53 14.929 25.522 0.459 1.00 0.00 C ATOM 871 CG TYR A 53 13.943 26.668 0.466 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.575 26.434 0.528 1.00 0.00 C ATOM 873 CD2 TYR A 53 14.380 27.986 0.413 1.00 0.00 C ATOM 874 CE1 TYR A 53 11.671 27.478 0.534 1.00 0.00 C ATOM 875 CE2 TYR A 53 13.483 29.037 0.420 1.00 0.00 C ATOM 876 CZ TYR A 53 12.130 28.778 0.480 1.00 0.00 C ATOM 877 OH TYR A 53 11.232 29.821 0.488 1.00 0.00 O ATOM 0 H TYR A 53 14.366 23.026 1.384 1.00 0.00 H new ATOM 0 HA TYR A 53 13.696 24.594 -1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.158 25.245 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.861 25.858 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.212 25.418 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 53 15.439 28.192 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.611 27.278 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.840 30.056 0.379 1.00 0.00 H new ATOM 0 HH TYR A 53 11.718 30.671 0.446 1.00 0.00 H new ATOM 887 N CYS A 54 15.269 22.829 -2.034 1.00 0.00 N ATOM 888 CA CYS A 54 16.286 22.117 -2.800 1.00 0.00 C ATOM 889 C CYS A 54 17.373 23.073 -3.280 1.00 0.00 C ATOM 890 O CYS A 54 18.559 22.746 -3.250 1.00 0.00 O ATOM 891 CB CYS A 54 15.649 21.408 -3.996 1.00 0.00 C ATOM 892 SG CYS A 54 15.608 22.400 -5.507 1.00 0.00 S ATOM 0 H CYS A 54 14.314 22.679 -2.359 1.00 0.00 H new ATOM 0 HA CYS A 54 16.744 21.374 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.198 20.487 -4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.630 21.122 -3.734 1.00 0.00 H new ATOM 0 HG CYS A 54 15.229 23.610 -5.221 1.00 0.00 H new ATOM 898 N GLY A 55 16.960 24.256 -3.725 1.00 0.00 N ATOM 899 CA GLY A 55 17.910 25.241 -4.207 1.00 0.00 C ATOM 900 C GLY A 55 18.721 24.736 -5.384 1.00 0.00 C ATOM 901 O GLY A 55 18.430 25.064 -6.533 1.00 0.00 O ATOM 0 H GLY A 55 15.984 24.550 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.375 26.145 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.585 25.518 -3.397 1.00 0.00 H new ATOM 905 N GLY A 56 19.744 23.936 -5.097 1.00 0.00 N ATOM 906 CA GLY A 56 20.585 23.400 -6.151 1.00 0.00 C ATOM 907 C GLY A 56 21.354 22.171 -5.710 1.00 0.00 C ATOM 908 O GLY A 56 22.389 21.837 -6.289 1.00 0.00 O ATOM 0 H GLY A 56 20.005 23.650 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.966 23.148 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.288 24.167 -6.476 1.00 0.00 H new ATOM 912 N ASP A 57 20.850 21.496 -4.683 1.00 0.00 N ATOM 913 CA ASP A 57 21.497 20.297 -4.164 1.00 0.00 C ATOM 914 C ASP A 57 21.140 19.078 -5.009 1.00 0.00 C ATOM 915 O ASP A 57 20.352 19.172 -5.951 1.00 0.00 O ATOM 916 CB ASP A 57 21.091 20.062 -2.708 1.00 0.00 C ATOM 917 CG ASP A 57 22.280 20.064 -1.768 1.00 0.00 C ATOM 918 OD1 ASP A 57 22.964 21.105 -1.678 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.526 19.025 -1.120 1.00 0.00 O ATOM 0 H ASP A 57 19.995 21.759 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 57 22.576 20.446 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.387 20.836 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.570 19.108 -2.629 1.00 0.00 H new ATOM 924 N LEU A 58 21.724 17.935 -4.666 1.00 0.00 N ATOM 925 CA LEU A 58 21.469 16.697 -5.393 1.00 0.00 C ATOM 926 C LEU A 58 19.974 16.499 -5.623 1.00 0.00 C ATOM 927 O LEU A 58 19.534 16.258 -6.747 1.00 0.00 O ATOM 928 CB LEU A 58 22.041 15.504 -4.626 1.00 0.00 C ATOM 929 CG LEU A 58 23.511 15.179 -4.890 1.00 0.00 C ATOM 930 CD1 LEU A 58 23.690 14.613 -6.290 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.374 16.418 -4.699 1.00 0.00 C ATOM 0 H LEU A 58 22.378 17.840 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 58 21.961 16.767 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 58 21.917 15.690 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.446 14.623 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 58 23.831 14.424 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 58 24.743 14.388 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.103 13.700 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.353 15.345 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.417 16.168 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.054 17.195 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.270 16.780 -3.676 1.00 0.00 H new ATOM 943 N LEU A 59 19.197 16.605 -4.550 1.00 0.00 N ATOM 944 CA LEU A 59 17.750 16.440 -4.634 1.00 0.00 C ATOM 945 C LEU A 59 17.136 17.483 -5.562 1.00 0.00 C ATOM 946 O LEU A 59 16.214 17.188 -6.321 1.00 0.00 O ATOM 947 CB LEU A 59 17.123 16.546 -3.243 1.00 0.00 C ATOM 948 CG LEU A 59 16.652 17.939 -2.823 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.786 17.856 -1.576 1.00 0.00 C ATOM 950 CD2 LEU A 59 17.844 18.856 -2.588 1.00 0.00 C ATOM 0 H LEU A 59 19.545 16.804 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 59 17.545 15.451 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.271 15.867 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.850 16.194 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 59 16.051 18.358 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.460 18.857 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.914 17.234 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.362 17.417 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.491 19.843 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.472 18.442 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.425 18.941 -3.507 1.00 0.00 H new ATOM 962 N GLY A 60 17.655 18.705 -5.496 1.00 0.00 N ATOM 963 CA GLY A 60 17.147 19.774 -6.337 1.00 0.00 C ATOM 964 C GLY A 60 17.295 19.469 -7.814 1.00 0.00 C ATOM 965 O GLY A 60 16.364 19.674 -8.592 1.00 0.00 O ATOM 0 H GLY A 60 18.418 18.974 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.095 19.944 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.677 20.698 -6.105 1.00 0.00 H new ATOM 969 N GLU A 61 18.469 18.979 -8.202 1.00 0.00 N ATOM 970 CA GLU A 61 18.735 18.648 -9.597 1.00 0.00 C ATOM 971 C GLU A 61 17.887 17.461 -10.045 1.00 0.00 C ATOM 972 O GLU A 61 17.268 17.492 -11.110 1.00 0.00 O ATOM 973 CB GLU A 61 20.219 18.334 -9.795 1.00 0.00 C ATOM 974 CG GLU A 61 20.535 16.848 -9.771 1.00 0.00 C ATOM 975 CD GLU A 61 21.997 16.558 -10.046 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.860 17.176 -9.388 1.00 0.00 O ATOM 977 OE2 GLU A 61 22.279 15.712 -10.921 1.00 0.00 O ATOM 0 H GLU A 61 19.250 18.803 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 61 18.470 19.512 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.546 18.751 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.794 18.832 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.264 16.438 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.921 16.338 -10.514 1.00 0.00 H new ATOM 984 N LEU A 62 17.866 16.415 -9.227 1.00 0.00 N ATOM 985 CA LEU A 62 17.096 15.215 -9.539 1.00 0.00 C ATOM 986 C LEU A 62 15.617 15.548 -9.713 1.00 0.00 C ATOM 987 O LEU A 62 14.935 14.970 -10.560 1.00 0.00 O ATOM 988 CB LEU A 62 17.269 14.172 -8.433 1.00 0.00 C ATOM 989 CG LEU A 62 18.021 12.900 -8.824 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.218 12.093 -9.832 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.394 13.242 -9.384 1.00 0.00 C ATOM 0 H LEU A 62 18.373 16.373 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 62 17.471 14.806 -10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.794 14.639 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.281 13.889 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 62 18.157 12.293 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.769 11.191 -10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.259 11.816 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.049 12.693 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.915 12.324 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.280 13.871 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.972 13.776 -8.630 1.00 0.00 H new ATOM 1003 N LEU A 63 15.128 16.484 -8.907 1.00 0.00 N ATOM 1004 CA LEU A 63 13.730 16.896 -8.972 1.00 0.00 C ATOM 1005 C LEU A 63 13.497 17.847 -10.142 1.00 0.00 C ATOM 1006 O LEU A 63 12.436 17.834 -10.764 1.00 0.00 O ATOM 1007 CB LEU A 63 13.314 17.568 -7.663 1.00 0.00 C ATOM 1008 CG LEU A 63 12.235 16.849 -6.853 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.301 17.260 -5.390 1.00 0.00 C ATOM 1010 CD2 LEU A 63 10.856 17.137 -7.427 1.00 0.00 C ATOM 0 H LEU A 63 15.679 16.972 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 63 13.121 16.005 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.199 17.676 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.960 18.573 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 63 12.417 15.776 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.525 16.738 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.279 17.001 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.146 18.336 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.101 16.617 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.666 18.210 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.812 16.791 -8.460 1.00 0.00 H new ATOM 1022 N GLY A 64 14.498 18.671 -10.436 1.00 0.00 N ATOM 1023 CA GLY A 64 14.383 19.616 -11.532 1.00 0.00 C ATOM 1024 C GLY A 64 13.585 20.848 -11.153 1.00 0.00 C ATOM 1025 O GLY A 64 13.362 21.730 -11.982 1.00 0.00 O ATOM 0 H GLY A 64 15.386 18.701 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.380 19.917 -11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.908 19.126 -12.382 1.00 0.00 H new ATOM 1029 N ARG A 65 13.151 20.908 -9.898 1.00 0.00 N ATOM 1030 CA ARG A 65 12.370 22.039 -9.413 1.00 0.00 C ATOM 1031 C ARG A 65 13.244 22.998 -8.609 1.00 0.00 C ATOM 1032 O ARG A 65 14.457 23.062 -8.808 1.00 0.00 O ATOM 1033 CB ARG A 65 11.205 21.550 -8.551 1.00 0.00 C ATOM 1034 CG ARG A 65 10.507 20.322 -9.112 1.00 0.00 C ATOM 1035 CD ARG A 65 10.270 20.450 -10.609 1.00 0.00 C ATOM 1036 NE ARG A 65 9.879 19.179 -11.212 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.248 19.082 -12.377 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.938 20.175 -13.060 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.925 17.889 -12.861 1.00 0.00 N ATOM 0 H ARG A 65 13.327 20.186 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 65 11.974 22.572 -10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.574 21.323 -7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.478 22.355 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.110 19.436 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.554 20.180 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.492 21.192 -10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.178 20.815 -11.090 1.00 0.00 H new ATOM 0 HE ARG A 65 10.103 18.319 -10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.184 21.094 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.454 20.097 -13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.161 17.046 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.440 17.816 -13.756 1.00 0.00 H new ATOM 1053 N GLN A 66 12.619 23.741 -7.702 1.00 0.00 N ATOM 1054 CA GLN A 66 13.339 24.696 -6.869 1.00 0.00 C ATOM 1055 C GLN A 66 13.075 24.437 -5.389 1.00 0.00 C ATOM 1056 O GLN A 66 13.990 24.483 -4.568 1.00 0.00 O ATOM 1057 CB GLN A 66 12.933 26.126 -7.229 1.00 0.00 C ATOM 1058 CG GLN A 66 12.783 26.358 -8.724 1.00 0.00 C ATOM 1059 CD GLN A 66 13.270 27.728 -9.154 1.00 0.00 C ATOM 1060 OE1 GLN A 66 14.421 28.094 -8.915 1.00 0.00 O ATOM 1061 NE2 GLN A 66 12.393 28.495 -9.792 1.00 0.00 N ATOM 0 H GLN A 66 11.615 23.700 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 66 14.405 24.570 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.989 26.362 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.679 26.817 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.340 25.593 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.735 26.245 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.449 28.152 -9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.664 29.427 -10.105 1.00 0.00 H new ATOM 1070 N SER A 67 11.817 24.165 -5.057 1.00 0.00 N ATOM 1071 CA SER A 67 11.432 23.903 -3.675 1.00 0.00 C ATOM 1072 C SER A 67 10.140 23.092 -3.616 1.00 0.00 C ATOM 1073 O SER A 67 9.270 23.225 -4.478 1.00 0.00 O ATOM 1074 CB SER A 67 11.257 25.218 -2.914 1.00 0.00 C ATOM 1075 OG SER A 67 9.905 25.643 -2.932 1.00 0.00 O ATOM 0 H SER A 67 11.048 24.120 -5.725 1.00 0.00 H new ATOM 0 HA SER A 67 12.227 23.323 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.588 25.092 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.889 25.986 -3.360 1.00 0.00 H new ATOM 0 HG SER A 67 9.820 26.485 -2.437 1.00 0.00 H new ATOM 1081 N PHE A 68 10.022 22.252 -2.593 1.00 0.00 N ATOM 1082 CA PHE A 68 8.838 21.419 -2.421 1.00 0.00 C ATOM 1083 C PHE A 68 8.431 21.349 -0.952 1.00 0.00 C ATOM 1084 O PHE A 68 9.278 21.392 -0.059 1.00 0.00 O ATOM 1085 CB PHE A 68 9.098 20.009 -2.957 1.00 0.00 C ATOM 1086 CG PHE A 68 10.308 19.353 -2.356 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.227 18.707 -1.133 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.527 19.382 -3.015 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.340 18.103 -0.578 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.643 18.780 -2.465 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.549 18.139 -1.245 1.00 0.00 C ATOM 0 H PHE A 68 10.732 22.130 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 68 8.022 21.870 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.224 19.388 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.220 20.057 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.284 18.675 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.606 19.881 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.264 17.603 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.587 18.811 -2.988 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.419 17.667 -0.813 1.00 0.00 H new ATOM 1101 N SER A 69 7.129 21.243 -0.709 1.00 0.00 N ATOM 1102 CA SER A 69 6.608 21.172 0.651 1.00 0.00 C ATOM 1103 C SER A 69 6.642 19.738 1.172 1.00 0.00 C ATOM 1104 O SER A 69 6.283 18.799 0.462 1.00 0.00 O ATOM 1105 CB SER A 69 5.177 21.711 0.700 1.00 0.00 C ATOM 1106 OG SER A 69 4.664 21.917 -0.604 1.00 0.00 O ATOM 0 H SER A 69 6.415 21.204 -1.436 1.00 0.00 H new ATOM 0 HA SER A 69 7.242 21.787 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.539 21.010 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.157 22.649 1.254 1.00 0.00 H new ATOM 0 HG SER A 69 3.748 22.260 -0.545 1.00 0.00 H new ATOM 1112 N VAL A 70 7.078 19.578 2.418 1.00 0.00 N ATOM 1113 CA VAL A 70 7.158 18.260 3.035 1.00 0.00 C ATOM 1114 C VAL A 70 5.779 17.765 3.457 1.00 0.00 C ATOM 1115 O VAL A 70 5.506 16.565 3.440 1.00 0.00 O ATOM 1116 CB VAL A 70 8.085 18.273 4.265 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.093 19.407 4.163 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.270 18.386 5.545 1.00 0.00 C ATOM 0 H VAL A 70 7.381 20.344 3.019 1.00 0.00 H new ATOM 0 HA VAL A 70 7.569 17.584 2.285 1.00 0.00 H new ATOM 0 HB VAL A 70 8.635 17.332 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.739 19.400 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.698 19.276 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.565 20.359 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.941 18.394 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.692 19.310 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.593 17.535 5.621 1.00 0.00 H new ATOM 1128 N LYS A 71 4.912 18.698 3.835 1.00 0.00 N ATOM 1129 CA LYS A 71 3.560 18.359 4.260 1.00 0.00 C ATOM 1130 C LYS A 71 2.698 17.961 3.066 1.00 0.00 C ATOM 1131 O LYS A 71 1.594 17.442 3.231 1.00 0.00 O ATOM 1132 CB LYS A 71 2.921 19.542 4.992 1.00 0.00 C ATOM 1133 CG LYS A 71 2.016 19.130 6.141 1.00 0.00 C ATOM 1134 CD LYS A 71 2.755 19.155 7.468 1.00 0.00 C ATOM 1135 CE LYS A 71 3.285 20.545 7.785 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.838 21.016 9.125 1.00 0.00 N ATOM 0 H LYS A 71 5.122 19.696 3.856 1.00 0.00 H new ATOM 0 HA LYS A 71 3.622 17.510 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.709 20.190 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.344 20.131 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.158 19.801 6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.628 18.128 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.086 18.829 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.583 18.447 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.374 20.536 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.946 21.246 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.363 21.875 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.820 21.228 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.018 20.274 9.831 1.00 0.00 H new ATOM 1150 N ASP A 72 3.210 18.206 1.865 1.00 0.00 N ATOM 1151 CA ASP A 72 2.488 17.870 0.643 1.00 0.00 C ATOM 1152 C ASP A 72 3.317 16.943 -0.240 1.00 0.00 C ATOM 1153 O ASP A 72 4.108 17.384 -1.075 1.00 0.00 O ATOM 1154 CB ASP A 72 2.128 19.142 -0.127 1.00 0.00 C ATOM 1155 CG ASP A 72 1.272 18.857 -1.346 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.761 17.724 -1.460 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.115 19.768 -2.186 1.00 0.00 O ATOM 0 H ASP A 72 4.122 18.636 1.711 1.00 0.00 H new ATOM 0 HA ASP A 72 1.571 17.352 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.597 19.826 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.043 19.646 -0.439 1.00 0.00 H new ATOM 1162 N PRO A 73 3.134 15.627 -0.054 1.00 0.00 N ATOM 1163 CA PRO A 73 3.857 14.611 -0.824 1.00 0.00 C ATOM 1164 C PRO A 73 3.413 14.565 -2.282 1.00 0.00 C ATOM 1165 O PRO A 73 2.955 13.532 -2.769 1.00 0.00 O ATOM 1166 CB PRO A 73 3.495 13.304 -0.114 1.00 0.00 C ATOM 1167 CG PRO A 73 2.184 13.578 0.538 1.00 0.00 C ATOM 1168 CD PRO A 73 2.208 15.031 0.924 1.00 0.00 C ATOM 0 HA PRO A 73 4.928 14.811 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.421 12.477 -0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.252 13.029 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.359 13.369 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.044 12.944 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.216 15.479 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.559 15.170 1.947 1.00 0.00 H new ATOM 1176 N SER A 74 3.553 15.691 -2.974 1.00 0.00 N ATOM 1177 CA SER A 74 3.164 15.780 -4.377 1.00 0.00 C ATOM 1178 C SER A 74 4.371 15.585 -5.289 1.00 0.00 C ATOM 1179 O SER A 74 4.507 14.570 -5.973 1.00 0.00 O ATOM 1180 CB SER A 74 2.509 17.133 -4.661 1.00 0.00 C ATOM 1181 OG SER A 74 1.096 17.026 -4.658 1.00 0.00 O ATOM 0 H SER A 74 3.933 16.555 -2.586 1.00 0.00 H new ATOM 0 HA SER A 74 2.445 14.986 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.824 17.858 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.846 17.508 -5.627 1.00 0.00 H new ATOM 0 HG SER A 74 0.755 17.218 -3.759 1.00 0.00 H new ATOM 1187 N PRO A 75 5.270 16.580 -5.301 1.00 0.00 N ATOM 1188 CA PRO A 75 6.482 16.543 -6.124 1.00 0.00 C ATOM 1189 C PRO A 75 7.488 15.510 -5.628 1.00 0.00 C ATOM 1190 O PRO A 75 8.290 14.987 -6.403 1.00 0.00 O ATOM 1191 CB PRO A 75 7.052 17.956 -5.981 1.00 0.00 C ATOM 1192 CG PRO A 75 6.530 18.445 -4.674 1.00 0.00 C ATOM 1193 CD PRO A 75 5.172 17.819 -4.512 1.00 0.00 C ATOM 0 HA PRO A 75 6.266 16.258 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.142 17.946 -5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.730 18.598 -6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.192 18.158 -3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.462 19.533 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.947 17.612 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.382 18.471 -4.885 1.00 0.00 H new ATOM 1201 N LEU A 76 7.440 15.218 -4.333 1.00 0.00 N ATOM 1202 CA LEU A 76 8.347 14.246 -3.733 1.00 0.00 C ATOM 1203 C LEU A 76 8.199 12.881 -4.397 1.00 0.00 C ATOM 1204 O LEU A 76 9.170 12.317 -4.902 1.00 0.00 O ATOM 1205 CB LEU A 76 8.078 14.127 -2.232 1.00 0.00 C ATOM 1206 CG LEU A 76 8.954 13.132 -1.470 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.149 13.838 -0.849 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.141 12.416 -0.401 1.00 0.00 C ATOM 0 H LEU A 76 6.782 15.641 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 76 9.368 14.596 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.205 15.111 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.035 13.844 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 76 9.324 12.389 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.760 13.114 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.745 14.304 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.800 14.604 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.780 11.712 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.741 13.147 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.318 11.876 -0.870 1.00 0.00 H new ATOM 1220 N TYR A 77 6.978 12.357 -4.396 1.00 0.00 N ATOM 1221 CA TYR A 77 6.703 11.058 -4.998 1.00 0.00 C ATOM 1222 C TYR A 77 6.997 11.079 -6.495 1.00 0.00 C ATOM 1223 O TYR A 77 7.539 10.121 -7.046 1.00 0.00 O ATOM 1224 CB TYR A 77 5.246 10.660 -4.758 1.00 0.00 C ATOM 1225 CG TYR A 77 5.012 9.998 -3.419 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.380 8.676 -3.202 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.422 10.694 -2.371 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.167 8.067 -1.980 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.207 10.094 -1.146 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.581 8.780 -0.955 1.00 0.00 C ATOM 1231 OH TYR A 77 4.367 8.178 0.263 1.00 0.00 O ATOM 0 H TYR A 77 6.163 12.812 -3.985 1.00 0.00 H new ATOM 0 HA TYR A 77 7.355 10.322 -4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.619 11.549 -4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.928 9.982 -5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.840 8.115 -4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.126 11.722 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.458 7.038 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.749 10.650 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 77 5.144 7.629 0.498 1.00 0.00 H new ATOM 1241 N ASP A 78 6.635 12.178 -7.147 1.00 0.00 N ATOM 1242 CA ASP A 78 6.860 12.326 -8.580 1.00 0.00 C ATOM 1243 C ASP A 78 8.329 12.103 -8.925 1.00 0.00 C ATOM 1244 O ASP A 78 8.652 11.470 -9.930 1.00 0.00 O ATOM 1245 CB ASP A 78 6.420 13.715 -9.046 1.00 0.00 C ATOM 1246 CG ASP A 78 5.695 13.676 -10.377 1.00 0.00 C ATOM 1247 OD1 ASP A 78 4.663 12.979 -10.471 1.00 0.00 O ATOM 1248 OD2 ASP A 78 6.159 14.342 -11.325 1.00 0.00 O ATOM 0 H ASP A 78 6.184 12.980 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 78 6.265 11.572 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.768 14.158 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.294 14.361 -9.130 1.00 0.00 H new ATOM 1253 N MET A 79 9.216 12.628 -8.085 1.00 0.00 N ATOM 1254 CA MET A 79 10.651 12.485 -8.302 1.00 0.00 C ATOM 1255 C MET A 79 11.110 11.065 -7.985 1.00 0.00 C ATOM 1256 O MET A 79 11.802 10.433 -8.785 1.00 0.00 O ATOM 1257 CB MET A 79 11.420 13.487 -7.439 1.00 0.00 C ATOM 1258 CG MET A 79 12.929 13.311 -7.503 1.00 0.00 C ATOM 1259 SD MET A 79 13.749 13.782 -5.968 1.00 0.00 S ATOM 1260 CE MET A 79 12.778 12.870 -4.771 1.00 0.00 C ATOM 0 H MET A 79 8.966 13.156 -7.249 1.00 0.00 H new ATOM 0 HA MET A 79 10.857 12.688 -9.353 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.166 14.498 -7.757 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.094 13.388 -6.404 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.160 12.270 -7.729 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.326 13.911 -8.322 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.435 12.471 -3.998 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.043 13.535 -4.316 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.264 12.048 -5.270 1.00 0.00 H new ATOM 1270 N LEU A 80 10.721 10.569 -6.816 1.00 0.00 N ATOM 1271 CA LEU A 80 11.093 9.223 -6.394 1.00 0.00 C ATOM 1272 C LEU A 80 10.684 8.192 -7.440 1.00 0.00 C ATOM 1273 O LEU A 80 11.342 7.164 -7.603 1.00 0.00 O ATOM 1274 CB LEU A 80 10.442 8.890 -5.051 1.00 0.00 C ATOM 1275 CG LEU A 80 10.804 9.808 -3.883 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.985 9.454 -2.651 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.293 9.721 -3.579 1.00 0.00 C ATOM 0 H LEU A 80 10.148 11.078 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 80 12.177 9.190 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.360 8.909 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.713 7.869 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 80 10.570 10.834 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.257 10.118 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.924 9.568 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.186 8.422 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.533 10.381 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.551 8.695 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.862 10.025 -4.458 1.00 0.00 H new ATOM 1289 N ARG A 81 9.596 8.475 -8.148 1.00 0.00 N ATOM 1290 CA ARG A 81 9.100 7.572 -9.180 1.00 0.00 C ATOM 1291 C ARG A 81 10.247 7.034 -10.030 1.00 0.00 C ATOM 1292 O ARG A 81 10.366 5.827 -10.241 1.00 0.00 O ATOM 1293 CB ARG A 81 8.084 8.290 -10.071 1.00 0.00 C ATOM 1294 CG ARG A 81 8.574 8.517 -11.492 1.00 0.00 C ATOM 1295 CD ARG A 81 7.487 9.125 -12.365 1.00 0.00 C ATOM 1296 NE ARG A 81 6.865 8.131 -13.236 1.00 0.00 N ATOM 1297 CZ ARG A 81 5.871 8.406 -14.073 1.00 0.00 C ATOM 1298 NH1 ARG A 81 5.388 9.638 -14.151 1.00 0.00 N ATOM 1299 NH2 ARG A 81 5.357 7.447 -14.833 1.00 0.00 N ATOM 0 H ARG A 81 9.041 9.322 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 81 8.611 6.732 -8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.164 7.706 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.836 9.252 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.442 9.176 -11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.900 7.570 -11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.725 9.579 -11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.914 9.923 -12.973 1.00 0.00 H new ATOM 0 HE ARG A 81 7.213 7.173 -13.199 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.780 10.377 -13.568 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.625 9.847 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.725 6.498 -14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.594 7.659 -15.475 1.00 0.00 H new ATOM 1313 N LYS A 82 11.090 7.939 -10.516 1.00 0.00 N ATOM 1314 CA LYS A 82 12.229 7.557 -11.343 1.00 0.00 C ATOM 1315 C LYS A 82 13.535 7.694 -10.566 1.00 0.00 C ATOM 1316 O LYS A 82 14.610 7.394 -11.084 1.00 0.00 O ATOM 1317 CB LYS A 82 12.282 8.420 -12.605 1.00 0.00 C ATOM 1318 CG LYS A 82 13.322 9.526 -12.544 1.00 0.00 C ATOM 1319 CD LYS A 82 13.002 10.532 -11.451 1.00 0.00 C ATOM 1320 CE LYS A 82 11.619 11.139 -11.640 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.646 12.624 -11.533 1.00 0.00 N ATOM 0 H LYS A 82 11.006 8.942 -10.352 1.00 0.00 H new ATOM 0 HA LYS A 82 12.104 6.513 -11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.493 7.781 -13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.301 8.864 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.306 9.092 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.370 10.036 -13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.056 10.044 -10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.751 11.324 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.227 10.852 -12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.939 10.733 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.675 12.982 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.208 12.902 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.074 13.026 -12.392 1.00 0.00 H new ATOM 1335 N ASN A 83 13.433 8.147 -9.321 1.00 0.00 N ATOM 1336 CA ASN A 83 14.606 8.322 -8.473 1.00 0.00 C ATOM 1337 C ASN A 83 14.781 7.133 -7.533 1.00 0.00 C ATOM 1338 O ASN A 83 15.855 6.532 -7.467 1.00 0.00 O ATOM 1339 CB ASN A 83 14.487 9.614 -7.661 1.00 0.00 C ATOM 1340 CG ASN A 83 15.133 9.500 -6.294 1.00 0.00 C ATOM 1341 OD1 ASN A 83 14.553 10.174 -5.308 1.00 0.00 O flip ATOM 1342 ND2 ASN A 83 16.141 8.813 -6.127 1.00 0.00 N flip ATOM 0 H ASN A 83 12.550 8.400 -8.877 1.00 0.00 H new ATOM 0 HA ASN A 83 15.482 8.385 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.953 10.431 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.434 9.869 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.553 8.312 -6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.564 8.745 -5.201 1.00 0.00 H new ATOM 1349 N LEU A 84 13.719 6.797 -6.810 1.00 0.00 N ATOM 1350 CA LEU A 84 13.754 5.678 -5.874 1.00 0.00 C ATOM 1351 C LEU A 84 14.102 4.378 -6.592 1.00 0.00 C ATOM 1352 O LEU A 84 13.793 4.206 -7.771 1.00 0.00 O ATOM 1353 CB LEU A 84 12.405 5.538 -5.166 1.00 0.00 C ATOM 1354 CG LEU A 84 12.452 5.484 -3.638 1.00 0.00 C ATOM 1355 CD1 LEU A 84 13.541 4.531 -3.171 1.00 0.00 C ATOM 1356 CD2 LEU A 84 12.674 6.874 -3.062 1.00 0.00 C ATOM 0 H LEU A 84 12.823 7.283 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 84 14.527 5.880 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.774 6.376 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.920 4.631 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 84 11.493 5.112 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.560 4.506 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.338 3.531 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.507 4.873 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.705 6.816 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.618 7.274 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.858 7.529 -3.368 1.00 0.00 H new ATOM 1368 N VAL A 85 14.744 3.464 -5.872 1.00 0.00 N ATOM 1369 CA VAL A 85 15.131 2.177 -6.439 1.00 0.00 C ATOM 1370 C VAL A 85 14.436 1.028 -5.718 1.00 0.00 C ATOM 1371 O VAL A 85 14.992 0.433 -4.794 1.00 0.00 O ATOM 1372 CB VAL A 85 16.655 1.968 -6.367 1.00 0.00 C ATOM 1373 CG1 VAL A 85 17.220 2.584 -5.096 1.00 0.00 C ATOM 1374 CG2 VAL A 85 16.993 0.487 -6.447 1.00 0.00 C ATOM 0 H VAL A 85 15.007 3.590 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 85 14.822 2.185 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 85 17.114 2.469 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.298 2.426 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.009 3.653 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.758 2.115 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.074 0.357 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.524 -0.039 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.624 0.080 -7.388 1.00 0.00 H new ATOM 1384 N THR A 86 13.216 0.719 -6.147 1.00 0.00 N ATOM 1385 CA THR A 86 12.444 -0.359 -5.542 1.00 0.00 C ATOM 1386 C THR A 86 12.512 -1.626 -6.388 1.00 0.00 C ATOM 1387 O THR A 86 12.704 -1.564 -7.603 1.00 0.00 O ATOM 1388 CB THR A 86 10.968 0.042 -5.357 1.00 0.00 C ATOM 1389 OG1 THR A 86 10.390 0.379 -6.623 1.00 0.00 O ATOM 1390 CG2 THR A 86 10.843 1.223 -4.407 1.00 0.00 C ATOM 0 H THR A 86 12.742 1.200 -6.911 1.00 0.00 H new ATOM 0 HA THR A 86 12.885 -0.554 -4.565 1.00 0.00 H new ATOM 0 HB THR A 86 10.435 -0.807 -4.928 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.451 0.631 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.792 1.488 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.258 0.954 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.390 2.075 -4.812 1.00 0.00 H new ATOM 1398 N LEU A 87 12.354 -2.774 -5.739 1.00 0.00 N ATOM 1399 CA LEU A 87 12.397 -4.057 -6.432 1.00 0.00 C ATOM 1400 C LEU A 87 11.029 -4.731 -6.416 1.00 0.00 C ATOM 1401 O LEU A 87 10.673 -5.413 -5.455 1.00 0.00 O ATOM 1402 CB LEU A 87 13.437 -4.973 -5.786 1.00 0.00 C ATOM 1403 CG LEU A 87 14.824 -4.367 -5.569 1.00 0.00 C ATOM 1404 CD1 LEU A 87 14.902 -3.684 -4.212 1.00 0.00 C ATOM 1405 CD2 LEU A 87 15.899 -5.437 -5.692 1.00 0.00 C ATOM 0 H LEU A 87 12.195 -2.843 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 87 12.678 -3.873 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.052 -5.303 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.544 -5.862 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 87 14.996 -3.617 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.896 -3.259 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.157 -2.890 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.708 -4.414 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.879 -4.988 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.730 -6.210 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.859 -5.881 -6.687 1.00 0.00 H new ATOM 1417 N ALA A 88 10.266 -4.536 -7.486 1.00 0.00 N ATOM 1418 CA ALA A 88 8.939 -5.128 -7.597 1.00 0.00 C ATOM 1419 C ALA A 88 8.147 -4.493 -8.735 1.00 0.00 C ATOM 1420 O ALA A 88 7.213 -3.724 -8.502 1.00 0.00 O ATOM 1421 CB ALA A 88 8.186 -4.985 -6.283 1.00 0.00 C ATOM 0 H ALA A 88 10.544 -3.972 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 88 9.059 -6.188 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.196 -5.431 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.737 -5.492 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.085 -3.928 -6.035 1.00 0.00 H new ATOM 1427 N THR A 89 8.526 -4.817 -9.967 1.00 0.00 N ATOM 1428 CA THR A 89 7.853 -4.276 -11.141 1.00 0.00 C ATOM 1429 C THR A 89 8.301 -4.991 -12.410 1.00 0.00 C ATOM 1430 O THR A 89 9.007 -5.995 -12.318 1.00 0.00 O ATOM 1431 CB THR A 89 8.118 -2.767 -11.295 1.00 0.00 C ATOM 1432 OG1 THR A 89 6.989 -2.130 -11.905 1.00 0.00 O ATOM 1433 CG2 THR A 89 9.361 -2.519 -12.137 1.00 0.00 C ATOM 0 H THR A 89 9.296 -5.452 -10.178 1.00 0.00 H new ATOM 0 HA THR A 89 6.785 -4.437 -10.995 1.00 0.00 H new ATOM 0 HB THR A 89 8.280 -2.347 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.165 -1.170 -11.998 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.528 -1.446 -12.232 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.224 -2.979 -11.656 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.223 -2.954 -13.127 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 1.256 25.393 10.606 1.00 0.00 N ATOM 1443 CA SER B 115 1.952 26.139 9.564 1.00 0.00 C ATOM 1444 C SER B 115 3.378 26.471 9.995 1.00 0.00 C ATOM 1445 O SER B 115 4.002 27.386 9.458 1.00 0.00 O ATOM 1446 CB SER B 115 1.194 27.427 9.237 1.00 0.00 C ATOM 1447 OG SER B 115 0.135 27.177 8.328 1.00 0.00 O ATOM 0 HA SER B 115 1.996 25.515 8.672 1.00 0.00 H new ATOM 0 HB2 SER B 115 0.796 27.862 10.154 1.00 0.00 H new ATOM 0 HB3 SER B 115 1.880 28.158 8.809 1.00 0.00 H new ATOM 0 HG SER B 115 -0.336 28.015 8.136 1.00 0.00 H new ATOM 1453 N GLN B 116 3.886 25.721 10.966 1.00 0.00 N ATOM 1454 CA GLN B 116 5.238 25.935 11.470 1.00 0.00 C ATOM 1455 C GLN B 116 5.588 24.911 12.544 1.00 0.00 C ATOM 1456 O GLN B 116 5.479 25.188 13.738 1.00 0.00 O ATOM 1457 CB GLN B 116 5.376 27.351 12.033 1.00 0.00 C ATOM 1458 CG GLN B 116 6.817 27.775 12.266 1.00 0.00 C ATOM 1459 CD GLN B 116 7.069 29.219 11.879 1.00 0.00 C ATOM 1460 OE1 GLN B 116 6.646 29.593 10.677 1.00 0.00 O flip ATOM 1461 NE2 GLN B 116 7.639 29.990 12.651 1.00 0.00 N flip ATOM 0 H GLN B 116 3.382 24.959 11.420 1.00 0.00 H new ATOM 0 HA GLN B 116 5.932 25.812 10.639 1.00 0.00 H new ATOM 0 HB2 GLN B 116 4.906 28.054 11.345 1.00 0.00 H new ATOM 0 HB3 GLN B 116 4.831 27.413 12.975 1.00 0.00 H new ATOM 0 HG2 GLN B 116 7.068 27.635 13.318 1.00 0.00 H new ATOM 0 HG3 GLN B 116 7.480 27.128 11.692 1.00 0.00 H new ATOM 0 HE21 GLN B 116 7.948 29.660 13.566 1.00 0.00 H new ATOM 0 HE22 GLN B 116 7.803 30.959 12.376 1.00 0.00 H new ATOM 1470 N GLU B 117 6.008 23.726 12.111 1.00 0.00 N ATOM 1471 CA GLU B 117 6.373 22.661 13.037 1.00 0.00 C ATOM 1472 C GLU B 117 7.741 22.081 12.688 1.00 0.00 C ATOM 1473 O GLU B 117 8.383 22.509 11.728 1.00 0.00 O ATOM 1474 CB GLU B 117 5.317 21.553 13.016 1.00 0.00 C ATOM 1475 CG GLU B 117 4.231 21.727 14.064 1.00 0.00 C ATOM 1476 CD GLU B 117 2.931 21.051 13.675 1.00 0.00 C ATOM 1477 OE1 GLU B 117 2.961 20.168 12.792 1.00 0.00 O ATOM 1478 OE2 GLU B 117 1.882 21.405 14.254 1.00 0.00 O ATOM 0 H GLU B 117 6.104 23.480 11.126 1.00 0.00 H new ATOM 0 HA GLU B 117 6.423 23.087 14.039 1.00 0.00 H new ATOM 0 HB2 GLU B 117 4.856 21.521 12.029 1.00 0.00 H new ATOM 0 HB3 GLU B 117 5.808 20.592 13.170 1.00 0.00 H new ATOM 0 HG2 GLU B 117 4.579 21.319 15.013 1.00 0.00 H new ATOM 0 HG3 GLU B 117 4.050 22.790 14.221 1.00 0.00 H new ATOM 1485 N THR B 118 8.182 21.105 13.475 1.00 0.00 N ATOM 1486 CA THR B 118 9.473 20.467 13.252 1.00 0.00 C ATOM 1487 C THR B 118 9.365 19.355 12.215 1.00 0.00 C ATOM 1488 O THR B 118 8.329 18.701 12.097 1.00 0.00 O ATOM 1489 CB THR B 118 10.044 19.883 14.558 1.00 0.00 C ATOM 1490 OG1 THR B 118 10.643 20.923 15.339 1.00 0.00 O ATOM 1491 CG2 THR B 118 11.077 18.806 14.262 1.00 0.00 C ATOM 0 H THR B 118 7.663 20.739 14.273 1.00 0.00 H new ATOM 0 HA THR B 118 10.148 21.239 12.883 1.00 0.00 H new ATOM 0 HB THR B 118 9.224 19.434 15.119 1.00 0.00 H new ATOM 0 HG1 THR B 118 11.002 20.544 16.168 1.00 0.00 H new ATOM 0 HG21 THR B 118 11.466 18.408 15.199 1.00 0.00 H new ATOM 0 HG22 THR B 118 10.611 18.002 13.692 1.00 0.00 H new ATOM 0 HG23 THR B 118 11.894 19.235 13.683 1.00 0.00 H new ATOM 1499 N PHE B 119 10.442 19.145 11.465 1.00 0.00 N ATOM 1500 CA PHE B 119 10.468 18.111 10.437 1.00 0.00 C ATOM 1501 C PHE B 119 9.837 16.820 10.948 1.00 0.00 C ATOM 1502 O PHE B 119 8.877 16.313 10.368 1.00 0.00 O ATOM 1503 CB PHE B 119 11.906 17.846 9.987 1.00 0.00 C ATOM 1504 CG PHE B 119 12.072 17.818 8.494 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.990 17.556 7.669 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.309 18.056 7.917 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.141 17.530 6.295 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.465 18.031 6.544 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.379 17.768 5.732 1.00 0.00 C ATOM 0 H PHE B 119 11.308 19.677 11.550 1.00 0.00 H new ATOM 0 HA PHE B 119 9.888 18.466 9.585 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.556 18.616 10.402 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.237 16.893 10.399 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.019 17.370 8.104 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.161 18.263 8.547 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.291 17.324 5.662 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.435 18.217 6.107 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.498 17.749 4.659 1.00 0.00 H new ATOM 1519 N SER B 120 10.383 16.293 12.039 1.00 0.00 N ATOM 1520 CA SER B 120 9.877 15.058 12.628 1.00 0.00 C ATOM 1521 C SER B 120 8.380 15.161 12.902 1.00 0.00 C ATOM 1522 O SER B 120 7.682 14.150 12.986 1.00 0.00 O ATOM 1523 CB SER B 120 10.624 14.743 13.925 1.00 0.00 C ATOM 1524 OG SER B 120 11.256 13.476 13.854 1.00 0.00 O ATOM 0 H SER B 120 11.176 16.702 12.533 1.00 0.00 H new ATOM 0 HA SER B 120 10.044 14.250 11.916 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.370 15.515 14.116 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.927 14.759 14.763 1.00 0.00 H new ATOM 0 HG SER B 120 11.728 13.298 14.694 1.00 0.00 H new ATOM 1530 N ASP B 121 7.893 16.389 13.040 1.00 0.00 N ATOM 1531 CA ASP B 121 6.479 16.626 13.304 1.00 0.00 C ATOM 1532 C ASP B 121 5.650 16.434 12.038 1.00 0.00 C ATOM 1533 O ASP B 121 4.719 15.628 12.009 1.00 0.00 O ATOM 1534 CB ASP B 121 6.270 18.037 13.855 1.00 0.00 C ATOM 1535 CG ASP B 121 5.545 18.037 15.187 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.761 17.097 15.436 1.00 0.00 O ATOM 1537 OD2 ASP B 121 5.762 18.977 15.980 1.00 0.00 O ATOM 0 H ASP B 121 8.457 17.236 12.973 1.00 0.00 H new ATOM 0 HA ASP B 121 6.148 15.901 14.048 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.237 18.526 13.971 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.701 18.625 13.135 1.00 0.00 H new ATOM 1542 N LEU B 122 5.994 17.179 10.993 1.00 0.00 N ATOM 1543 CA LEU B 122 5.281 17.092 9.723 1.00 0.00 C ATOM 1544 C LEU B 122 5.768 15.899 8.907 1.00 0.00 C ATOM 1545 O LEU B 122 4.970 15.082 8.447 1.00 0.00 O ATOM 1546 CB LEU B 122 5.465 18.382 8.923 1.00 0.00 C ATOM 1547 CG LEU B 122 6.685 19.229 9.287 1.00 0.00 C ATOM 1548 CD1 LEU B 122 7.080 20.124 8.122 1.00 0.00 C ATOM 1549 CD2 LEU B 122 6.405 20.061 10.530 1.00 0.00 C ATOM 0 H LEU B 122 6.762 17.850 11.000 1.00 0.00 H new ATOM 0 HA LEU B 122 4.221 16.954 9.937 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.529 18.124 7.866 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.572 18.994 9.048 1.00 0.00 H new ATOM 0 HG LEU B 122 7.517 18.559 9.503 1.00 0.00 H new ATOM 0 HD11 LEU B 122 7.950 20.719 8.399 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.323 19.508 7.256 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.251 20.787 7.875 1.00 0.00 H new ATOM 0 HD21 LEU B 122 7.284 20.657 10.774 1.00 0.00 H new ATOM 0 HD22 LEU B 122 5.559 20.722 10.342 1.00 0.00 H new ATOM 0 HD23 LEU B 122 6.171 19.400 11.365 1.00 0.00 H new ATOM 1561 N TRP B 123 7.081 15.805 8.732 1.00 0.00 N ATOM 1562 CA TRP B 123 7.674 14.710 7.972 1.00 0.00 C ATOM 1563 C TRP B 123 6.884 13.421 8.168 1.00 0.00 C ATOM 1564 O TRP B 123 6.384 12.836 7.207 1.00 0.00 O ATOM 1565 CB TRP B 123 9.129 14.500 8.394 1.00 0.00 C ATOM 1566 CG TRP B 123 9.930 13.720 7.395 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.602 12.552 7.616 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.144 14.054 6.019 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.221 12.140 6.460 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.954 13.043 5.466 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.728 15.107 5.200 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.356 13.058 4.133 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.127 15.120 3.877 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.934 14.101 3.354 1.00 0.00 C ATOM 0 H TRP B 123 7.755 16.473 9.106 1.00 0.00 H new ATOM 0 HA TRP B 123 7.644 14.975 6.915 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.599 15.471 8.547 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.151 13.980 9.352 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.641 12.029 8.560 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.788 11.298 6.359 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.106 15.897 5.594 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.979 12.274 3.728 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.811 15.929 3.235 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.229 14.139 2.316 1.00 0.00 H new ATOM 1585 N LYS B 124 6.774 12.983 9.417 1.00 0.00 N ATOM 1586 CA LYS B 124 6.043 11.763 9.740 1.00 0.00 C ATOM 1587 C LYS B 124 4.663 11.769 9.091 1.00 0.00 C ATOM 1588 O LYS B 124 4.220 10.760 8.540 1.00 0.00 O ATOM 1589 CB LYS B 124 5.906 11.613 11.256 1.00 0.00 C ATOM 1590 CG LYS B 124 5.489 10.219 11.694 1.00 0.00 C ATOM 1591 CD LYS B 124 4.216 10.252 12.523 1.00 0.00 C ATOM 1592 CE LYS B 124 4.518 10.470 13.998 1.00 0.00 C ATOM 1593 NZ LYS B 124 4.133 9.291 14.823 1.00 0.00 N ATOM 0 H LYS B 124 7.182 13.455 10.224 1.00 0.00 H new ATOM 0 HA LYS B 124 6.606 10.916 9.347 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.858 11.863 11.725 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.173 12.333 11.619 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.336 9.591 10.816 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.291 9.764 12.275 1.00 0.00 H new ATOM 0 HD2 LYS B 124 3.566 11.049 12.162 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.673 9.315 12.396 1.00 0.00 H new ATOM 0 HE2 LYS B 124 5.582 10.670 14.125 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.983 11.351 14.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.355 9.479 15.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 3.113 9.115 14.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.662 8.455 14.502 1.00 0.00 H new ATOM 1607 N LEU B 125 3.987 12.911 9.160 1.00 0.00 N ATOM 1608 CA LEU B 125 2.656 13.048 8.578 1.00 0.00 C ATOM 1609 C LEU B 125 2.579 12.350 7.223 1.00 0.00 C ATOM 1610 O LEU B 125 1.569 11.730 6.889 1.00 0.00 O ATOM 1611 CB LEU B 125 2.296 14.527 8.423 1.00 0.00 C ATOM 1612 CG LEU B 125 0.803 14.856 8.409 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.584 16.349 8.600 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.165 14.383 7.111 1.00 0.00 C ATOM 0 H LEU B 125 4.338 13.755 9.613 1.00 0.00 H new ATOM 0 HA LEU B 125 1.942 12.574 9.251 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.762 15.081 9.238 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.737 14.892 7.496 1.00 0.00 H new ATOM 0 HG LEU B 125 0.327 14.331 9.237 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.484 16.565 8.587 1.00 0.00 H new ATOM 0 HD12 LEU B 125 1.005 16.659 9.556 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.074 16.895 7.794 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.898 14.625 7.118 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.645 14.880 6.268 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.290 13.304 7.016 1.00 0.00 H new ATOM 1626 N LEU B 126 3.653 12.454 6.448 1.00 0.00 N ATOM 1627 CA LEU B 126 3.709 11.831 5.131 1.00 0.00 C ATOM 1628 C LEU B 126 2.999 10.481 5.136 1.00 0.00 C ATOM 1629 O LEU B 126 3.066 9.720 6.102 1.00 0.00 O ATOM 1630 CB LEU B 126 5.163 11.653 4.690 1.00 0.00 C ATOM 1631 CG LEU B 126 5.768 12.806 3.888 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.721 13.615 4.754 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.483 12.279 2.653 1.00 0.00 C ATOM 0 H LEU B 126 4.497 12.964 6.709 1.00 0.00 H new ATOM 0 HA LEU B 126 3.199 12.487 4.425 1.00 0.00 H new ATOM 0 HB2 LEU B 126 5.774 11.495 5.579 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.231 10.745 4.091 1.00 0.00 H new ATOM 0 HG LEU B 126 4.960 13.461 3.563 1.00 0.00 H new ATOM 0 HD11 LEU B 126 7.142 14.431 4.167 1.00 0.00 H new ATOM 0 HD12 LEU B 126 6.179 14.023 5.607 1.00 0.00 H new ATOM 0 HD13 LEU B 126 7.525 12.971 5.109 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.907 13.113 2.094 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.281 11.602 2.956 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.773 11.744 2.022 1.00 0.00 H new ATOM 1645 N PRO B 127 2.302 10.174 4.032 1.00 0.00 N ATOM 1646 CA PRO B 127 1.568 8.914 3.884 1.00 0.00 C ATOM 1647 C PRO B 127 2.498 7.713 3.750 1.00 0.00 C ATOM 1648 O PRO B 127 2.070 6.567 3.882 1.00 0.00 O ATOM 1649 CB PRO B 127 0.769 9.118 2.594 1.00 0.00 C ATOM 1650 CG PRO B 127 1.548 10.126 1.822 1.00 0.00 C ATOM 1651 CD PRO B 127 2.178 11.033 2.842 1.00 0.00 C ATOM 0 HA PRO B 127 0.950 8.698 4.755 1.00 0.00 H new ATOM 0 HB2 PRO B 127 0.668 8.185 2.039 1.00 0.00 H new ATOM 0 HB3 PRO B 127 -0.239 9.474 2.805 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.308 9.644 1.206 1.00 0.00 H new ATOM 0 HG3 PRO B 127 0.900 10.687 1.148 1.00 0.00 H new ATOM 0 HD2 PRO B 127 3.149 11.400 2.508 1.00 0.00 H new ATOM 0 HD3 PRO B 127 1.558 11.907 3.040 1.00 0.00 H new ATOM 1659 N GLU B 128 3.773 7.984 3.487 1.00 0.00 N ATOM 1660 CA GLU B 128 4.763 6.925 3.334 1.00 0.00 C ATOM 1661 C GLU B 128 4.616 6.233 1.982 1.00 0.00 C ATOM 1662 O GLU B 128 5.568 6.153 1.207 1.00 0.00 O ATOM 1663 CB GLU B 128 4.623 5.900 4.462 1.00 0.00 C ATOM 1664 CG GLU B 128 4.068 6.484 5.750 1.00 0.00 C ATOM 1665 CD GLU B 128 4.796 5.979 6.981 1.00 0.00 C ATOM 1666 OE1 GLU B 128 4.543 4.825 7.387 1.00 0.00 O ATOM 1667 OE2 GLU B 128 5.618 6.736 7.537 1.00 0.00 O ATOM 0 H GLU B 128 4.144 8.928 3.376 1.00 0.00 H new ATOM 0 HA GLU B 128 5.753 7.378 3.384 1.00 0.00 H new ATOM 0 HB2 GLU B 128 3.971 5.092 4.129 1.00 0.00 H new ATOM 0 HB3 GLU B 128 5.599 5.459 4.664 1.00 0.00 H new ATOM 0 HG2 GLU B 128 4.138 7.571 5.711 1.00 0.00 H new ATOM 0 HG3 GLU B 128 3.010 6.236 5.831 1.00 0.00 H new ATOM 1674 N ASN B 129 3.415 5.734 1.707 1.00 0.00 N ATOM 1675 CA ASN B 129 3.143 5.047 0.449 1.00 0.00 C ATOM 1676 C ASN B 129 2.704 6.036 -0.626 1.00 0.00 C ATOM 1677 O ASN B 129 1.852 6.892 -0.385 1.00 0.00 O ATOM 1678 CB ASN B 129 2.064 3.981 0.649 1.00 0.00 C ATOM 1679 CG ASN B 129 0.688 4.466 0.234 1.00 0.00 C ATOM 1680 OD1 ASN B 129 0.170 5.458 0.950 1.00 0.00 O flip ATOM 1681 ND2 ASN B 129 0.099 3.956 -0.719 1.00 0.00 N flip ATOM 0 H ASN B 129 2.615 5.792 2.338 1.00 0.00 H new ATOM 0 HA ASN B 129 4.064 4.565 0.120 1.00 0.00 H new ATOM 0 HB2 ASN B 129 2.323 3.093 0.072 1.00 0.00 H new ATOM 0 HB3 ASN B 129 2.041 3.684 1.697 1.00 0.00 H new ATOM 0 HD21 ASN B 129 0.535 3.196 -1.241 1.00 0.00 H new ATOM 0 HD22 ASN B 129 -0.825 4.294 -0.987 1.00 0.00 H new TER 1688 ASN B 129