USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 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 23 TYR OH : rot 147:sc= -1.69! USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -12.9! C(o=-17!,f=-15!) USER MOD Set 2.1: A 106 SER OG : rot -26:sc= 0.0327! USER MOD Set 2.2: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 96 THR OG1 : rot 83:sc= 1.12 USER MOD Set 3.2: A 97 ASN :FLIP amide:sc= 1.04 F(o=0.87,f=2.2) USER MOD Set 4.1: A 18 TYR OH : rot 102:sc= -2.08 USER MOD Set 4.2: A 92 ASN : amide:sc= -5.07! C(o=-7.2!,f=-9.4!) USER MOD Set 5.1: A 65 LYS NZ :NH3+ 174:sc= 0.57 (180deg=0) USER MOD Set 5.2: A 68 SER OG : rot -30:sc= 1.63 USER MOD Set 6.1: A 20 THR OG1 : rot 180:sc= -0.935 USER MOD Set 6.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 PHE N :NH3+ -137:sc= 0.477 (180deg=0.0384) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.945 K(o=-0.95,f=-2.3!) USER MOD Single : A 12 TYR OH : rot -70:sc= -4.05! USER MOD Single : A 24 SER OG : rot 150:sc= -1.01 USER MOD Single : A 27 SER OG : rot -74:sc= 0.922 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= -0.64 (180deg=-0.641) USER MOD Single : A 29 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 30 ASN : amide:sc= -4.29! C(o=-4.3!,f=-7.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.91 F(o=-2.4,f=-1.9) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.395 K(o=-0.4,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -146:sc= -2.76 (180deg=-3.81!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.41 K(o=-1.4,f=-2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.398 (180deg=-1.21!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 173:sc= -1.1 (180deg=-1.22) USER MOD Single : A 73 THR OG1 : rot 176:sc= -3.49! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.03 USER MOD Single : A 83 SER OG : rot -62:sc= 1.1 USER MOD Single : A 84 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.7!) USER MOD Single : A 87 ASN : amide:sc= -0.457 K(o=-0.46,f=-2) USER MOD Single : A 98 THR OG1 : rot -100:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= -0.105 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 17.503 -9.196 18.252 1.00 0.00 N ATOM 2 CA PHE A 1 16.834 -8.892 19.543 1.00 0.00 C ATOM 3 C PHE A 1 16.477 -10.171 20.294 1.00 0.00 C ATOM 4 O PHE A 1 16.738 -11.276 19.818 1.00 0.00 O ATOM 5 CB PHE A 1 15.570 -8.079 19.258 1.00 0.00 C ATOM 6 CG PHE A 1 14.555 -8.817 18.433 1.00 0.00 C ATOM 7 CD1 PHE A 1 13.694 -9.729 19.023 1.00 0.00 C ATOM 8 CD2 PHE A 1 14.461 -8.599 17.068 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.759 -10.410 18.267 1.00 0.00 C ATOM 10 CE2 PHE A 1 13.528 -9.277 16.306 1.00 0.00 C ATOM 11 CZ PHE A 1 12.675 -10.183 16.906 1.00 0.00 C ATOM 0 H1 PHE A 1 18.309 -8.552 18.119 1.00 0.00 H new ATOM 0 H2 PHE A 1 17.843 -10.179 18.260 1.00 0.00 H new ATOM 0 H3 PHE A 1 16.826 -9.070 17.472 1.00 0.00 H new ATOM 0 HA PHE A 1 17.516 -8.320 20.172 1.00 0.00 H new ATOM 0 HB2 PHE A 1 15.114 -7.787 20.204 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.848 -7.160 18.741 1.00 0.00 H new ATOM 0 HD1 PHE A 1 13.755 -9.910 20.086 1.00 0.00 H new ATOM 0 HD2 PHE A 1 15.124 -7.891 16.594 1.00 0.00 H new ATOM 0 HE1 PHE A 1 12.095 -11.119 18.739 1.00 0.00 H new ATOM 0 HE2 PHE A 1 13.466 -9.099 15.243 1.00 0.00 H new ATOM 0 HZ PHE A 1 11.944 -10.713 16.313 1.00 0.00 H new ATOM 22 N ALA A 2 15.881 -10.013 21.472 1.00 0.00 N ATOM 23 CA ALA A 2 15.489 -11.155 22.289 1.00 0.00 C ATOM 24 C ALA A 2 14.722 -10.706 23.528 1.00 0.00 C ATOM 25 O ALA A 2 14.652 -9.515 23.829 1.00 0.00 O ATOM 26 CB ALA A 2 16.715 -11.962 22.690 1.00 0.00 C ATOM 0 H ALA A 2 15.659 -9.105 21.881 1.00 0.00 H new ATOM 0 HA ALA A 2 14.829 -11.787 21.694 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.408 -12.812 23.300 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.222 -12.322 21.795 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.394 -11.331 23.263 1.00 0.00 H new ATOM 32 N LYS A 3 14.149 -11.669 24.243 1.00 0.00 N ATOM 33 CA LYS A 3 13.385 -11.372 25.450 1.00 0.00 C ATOM 34 C LYS A 3 12.198 -10.468 25.135 1.00 0.00 C ATOM 35 O LYS A 3 11.784 -9.659 25.965 1.00 0.00 O ATOM 36 CB LYS A 3 14.283 -10.708 26.495 1.00 0.00 C ATOM 37 CG LYS A 3 15.543 -11.500 26.806 1.00 0.00 C ATOM 38 CD LYS A 3 16.716 -10.581 27.110 1.00 0.00 C ATOM 39 CE LYS A 3 16.537 -9.873 28.443 1.00 0.00 C ATOM 40 NZ LYS A 3 17.673 -8.956 28.741 1.00 0.00 N ATOM 0 H LYS A 3 14.199 -12.660 24.008 1.00 0.00 H new ATOM 0 HA LYS A 3 13.006 -12.312 25.850 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.565 -9.716 26.142 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.715 -10.569 27.415 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.362 -12.155 27.658 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.790 -12.140 25.959 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.639 -11.160 27.125 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.817 -9.842 26.315 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.606 -9.306 28.431 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.449 -10.613 29.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.513 -8.492 29.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.558 -9.501 28.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.741 -8.234 27.995 1.00 0.00 H new ATOM 54 N LEU A 4 11.653 -10.613 23.932 1.00 0.00 N ATOM 55 CA LEU A 4 10.512 -9.810 23.507 1.00 0.00 C ATOM 56 C LEU A 4 10.862 -8.326 23.505 1.00 0.00 C ATOM 57 O LEU A 4 11.079 -7.727 24.558 1.00 0.00 O ATOM 58 CB LEU A 4 9.314 -10.063 24.423 1.00 0.00 C ATOM 59 CG LEU A 4 9.078 -11.528 24.792 1.00 0.00 C ATOM 60 CD1 LEU A 4 7.888 -11.658 25.729 1.00 0.00 C ATOM 61 CD2 LEU A 4 8.864 -12.363 23.538 1.00 0.00 C ATOM 0 H LEU A 4 11.983 -11.279 23.234 1.00 0.00 H new ATOM 0 HA LEU A 4 10.251 -10.104 22.490 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.451 -9.491 25.341 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.417 -9.678 23.938 1.00 0.00 H new ATOM 0 HG LEU A 4 9.963 -11.900 25.308 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.736 -12.708 25.980 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.079 -11.091 26.640 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.995 -11.269 25.239 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.697 -13.403 23.818 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.995 -11.989 22.996 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.746 -12.295 22.901 1.00 0.00 H new ATOM 73 N VAL A 5 10.917 -7.737 22.314 1.00 0.00 N ATOM 74 CA VAL A 5 11.240 -6.323 22.175 1.00 0.00 C ATOM 75 C VAL A 5 10.179 -5.594 21.357 1.00 0.00 C ATOM 76 O VAL A 5 9.571 -4.632 21.827 1.00 0.00 O ATOM 77 CB VAL A 5 12.613 -6.123 21.507 1.00 0.00 C ATOM 78 CG1 VAL A 5 13.021 -4.659 21.551 1.00 0.00 C ATOM 79 CG2 VAL A 5 13.663 -6.998 22.174 1.00 0.00 C ATOM 0 H VAL A 5 10.742 -8.218 21.432 1.00 0.00 H new ATOM 0 HA VAL A 5 11.270 -5.906 23.182 1.00 0.00 H new ATOM 0 HB VAL A 5 12.535 -6.422 20.462 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.994 -4.538 21.074 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.280 -4.059 21.022 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.082 -4.329 22.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.627 -6.844 21.689 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.741 -6.733 23.228 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.375 -8.045 22.083 1.00 0.00 H new ATOM 89 N ARG A 6 9.962 -6.060 20.131 1.00 0.00 N ATOM 90 CA ARG A 6 8.974 -5.453 19.246 1.00 0.00 C ATOM 91 C ARG A 6 9.339 -4.004 18.931 1.00 0.00 C ATOM 92 O ARG A 6 9.954 -3.319 19.749 1.00 0.00 O ATOM 93 CB ARG A 6 7.583 -5.513 19.881 1.00 0.00 C ATOM 94 CG ARG A 6 7.217 -6.889 20.414 1.00 0.00 C ATOM 95 CD ARG A 6 6.376 -7.668 19.417 1.00 0.00 C ATOM 96 NE ARG A 6 4.950 -7.594 19.727 1.00 0.00 N ATOM 97 CZ ARG A 6 4.042 -8.443 19.249 1.00 0.00 C ATOM 98 NH1 ARG A 6 4.407 -9.429 18.440 1.00 0.00 N ATOM 99 NH2 ARG A 6 2.766 -8.304 19.581 1.00 0.00 N ATOM 0 H ARG A 6 10.457 -6.856 19.728 1.00 0.00 H new ATOM 0 HA ARG A 6 8.966 -6.017 18.314 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.533 -4.792 20.697 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.842 -5.210 19.142 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.126 -7.447 20.639 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.668 -6.783 21.350 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.550 -7.278 18.414 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.692 -8.711 19.413 1.00 0.00 H new ATOM 0 HE ARG A 6 4.631 -6.848 20.346 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.387 -9.540 18.181 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.707 -10.076 18.077 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.480 -7.547 20.202 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.070 -8.954 19.215 1.00 0.00 H new ATOM 113 N PRO A 7 8.965 -3.517 17.736 1.00 0.00 N ATOM 114 CA PRO A 7 9.257 -2.142 17.317 1.00 0.00 C ATOM 115 C PRO A 7 8.430 -1.114 18.085 1.00 0.00 C ATOM 116 O PRO A 7 7.358 -1.429 18.603 1.00 0.00 O ATOM 117 CB PRO A 7 8.875 -2.135 15.835 1.00 0.00 C ATOM 118 CG PRO A 7 7.850 -3.206 15.703 1.00 0.00 C ATOM 119 CD PRO A 7 8.228 -4.267 16.701 1.00 0.00 C ATOM 0 HA PRO A 7 10.296 -1.870 17.505 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.476 -1.166 15.534 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.740 -2.335 15.202 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.852 -2.818 15.905 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.836 -3.610 14.691 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.349 -4.762 17.113 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.847 -5.042 16.249 1.00 0.00 H new ATOM 127 N PRO A 8 8.920 0.135 18.169 1.00 0.00 N ATOM 128 CA PRO A 8 8.221 1.210 18.878 1.00 0.00 C ATOM 129 C PRO A 8 6.954 1.654 18.154 1.00 0.00 C ATOM 130 O PRO A 8 5.900 1.819 18.769 1.00 0.00 O ATOM 131 CB PRO A 8 9.247 2.346 18.904 1.00 0.00 C ATOM 132 CG PRO A 8 10.124 2.090 17.729 1.00 0.00 C ATOM 133 CD PRO A 8 10.192 0.595 17.579 1.00 0.00 C ATOM 0 HA PRO A 8 7.888 0.895 19.867 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.762 3.319 18.831 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.818 2.343 19.832 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.717 2.554 16.830 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.117 2.512 17.884 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.280 0.299 16.534 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.052 0.177 18.102 1.00 0.00 H new ATOM 141 N VAL A 9 7.064 1.847 16.843 1.00 0.00 N ATOM 142 CA VAL A 9 5.928 2.271 16.034 1.00 0.00 C ATOM 143 C VAL A 9 4.981 1.107 15.766 1.00 0.00 C ATOM 144 O VAL A 9 5.409 0.022 15.372 1.00 0.00 O ATOM 145 CB VAL A 9 6.386 2.866 14.690 1.00 0.00 C ATOM 146 CG1 VAL A 9 7.017 4.234 14.899 1.00 0.00 C ATOM 147 CG2 VAL A 9 7.355 1.926 13.990 1.00 0.00 C ATOM 0 H VAL A 9 7.929 1.716 16.319 1.00 0.00 H new ATOM 0 HA VAL A 9 5.404 3.040 16.602 1.00 0.00 H new ATOM 0 HB VAL A 9 5.511 2.988 14.052 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.335 4.639 13.938 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.288 4.905 15.353 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.881 4.139 15.556 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.667 2.365 13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.229 1.768 14.622 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.865 0.971 13.804 1.00 0.00 H new ATOM 157 N GLN A 10 3.690 1.339 15.982 1.00 0.00 N ATOM 158 CA GLN A 10 2.680 0.308 15.764 1.00 0.00 C ATOM 159 C GLN A 10 1.281 0.851 16.033 1.00 0.00 C ATOM 160 O GLN A 10 0.973 1.258 17.151 1.00 0.00 O ATOM 161 CB GLN A 10 2.951 -0.898 16.664 1.00 0.00 C ATOM 162 CG GLN A 10 3.284 -0.523 18.098 1.00 0.00 C ATOM 163 CD GLN A 10 3.998 -1.636 18.841 1.00 0.00 C ATOM 164 OE1 GLN A 10 4.994 -2.178 18.362 1.00 0.00 O ATOM 165 NE2 GLN A 10 3.489 -1.983 20.018 1.00 0.00 N ATOM 0 H GLN A 10 3.318 2.231 16.308 1.00 0.00 H new ATOM 0 HA GLN A 10 2.735 -0.004 14.721 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.076 -1.547 16.661 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.777 -1.474 16.247 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.909 0.370 18.100 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.365 -0.270 18.626 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.662 -1.506 20.376 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.926 -2.726 20.563 1.00 0.00 H new ATOM 174 N ILE A 11 0.448 0.851 14.993 1.00 0.00 N ATOM 175 CA ILE A 11 -0.929 1.341 15.080 1.00 0.00 C ATOM 176 C ILE A 11 -0.995 2.747 15.669 1.00 0.00 C ATOM 177 O ILE A 11 -0.251 3.092 16.585 1.00 0.00 O ATOM 178 CB ILE A 11 -1.833 0.382 15.877 1.00 0.00 C ATOM 179 CG1 ILE A 11 -3.302 0.746 15.657 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.490 0.392 17.361 1.00 0.00 C ATOM 181 CD1 ILE A 11 -4.014 -0.180 14.695 1.00 0.00 C ATOM 0 H ILE A 11 0.707 0.512 14.067 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.305 1.384 14.058 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.660 -0.630 15.512 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.820 0.730 16.616 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.363 1.767 15.279 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.148 -0.296 17.891 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.454 0.081 17.497 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.622 1.398 17.758 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.051 0.136 14.586 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.520 -0.146 13.724 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.984 -1.199 15.081 1.00 0.00 H new ATOM 193 N TYR A 12 -1.865 3.574 15.097 1.00 0.00 N ATOM 194 CA TYR A 12 -1.995 4.961 15.529 1.00 0.00 C ATOM 195 C TYR A 12 -3.408 5.482 15.285 1.00 0.00 C ATOM 196 O TYR A 12 -4.154 5.745 16.229 1.00 0.00 O ATOM 197 CB TYR A 12 -0.970 5.828 14.777 1.00 0.00 C ATOM 198 CG TYR A 12 0.241 5.045 14.303 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.097 3.991 13.406 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.517 5.336 14.770 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.182 3.251 12.991 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.611 4.598 14.356 1.00 0.00 C ATOM 203 CZ TYR A 12 2.438 3.555 13.469 1.00 0.00 C ATOM 204 OH TYR A 12 3.525 2.819 13.057 1.00 0.00 O ATOM 0 H TYR A 12 -2.489 3.308 14.335 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.801 5.013 16.600 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.455 6.290 13.917 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.640 6.637 15.429 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.885 3.748 13.028 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.656 6.150 15.466 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.049 2.437 12.294 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.597 4.837 14.726 1.00 0.00 H new ATOM 0 HH TYR A 12 3.476 1.919 13.442 1.00 0.00 H new ATOM 214 N GLY A 13 -3.771 5.627 14.014 1.00 0.00 N ATOM 215 CA GLY A 13 -5.096 6.113 13.676 1.00 0.00 C ATOM 216 C GLY A 13 -5.212 6.530 12.224 1.00 0.00 C ATOM 217 O GLY A 13 -5.598 5.730 11.371 1.00 0.00 O ATOM 0 H GLY A 13 -3.173 5.417 13.215 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.829 5.334 13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.341 6.962 14.314 1.00 0.00 H new ATOM 221 N ILE A 14 -4.883 7.787 11.940 1.00 0.00 N ATOM 222 CA ILE A 14 -4.955 8.309 10.579 1.00 0.00 C ATOM 223 C ILE A 14 -4.200 7.413 9.604 1.00 0.00 C ATOM 224 O ILE A 14 -4.698 7.095 8.524 1.00 0.00 O ATOM 225 CB ILE A 14 -4.393 9.743 10.495 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.578 10.309 9.086 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.924 9.763 10.892 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.025 10.382 8.650 1.00 0.00 C ATOM 0 H ILE A 14 -4.564 8.463 12.634 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.009 8.327 10.302 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.946 10.372 11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.143 11.308 9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.025 9.691 8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.543 10.782 10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.818 9.401 11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.356 9.120 10.219 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.081 10.793 7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.459 9.382 8.659 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.579 11.024 9.335 1.00 0.00 H new ATOM 240 N GLU A 15 -2.998 7.003 9.993 1.00 0.00 N ATOM 241 CA GLU A 15 -2.181 6.137 9.154 1.00 0.00 C ATOM 242 C GLU A 15 -2.744 4.721 9.137 1.00 0.00 C ATOM 243 O GLU A 15 -2.613 4.000 8.148 1.00 0.00 O ATOM 244 CB GLU A 15 -0.733 6.124 9.648 1.00 0.00 C ATOM 245 CG GLU A 15 0.165 7.109 8.918 1.00 0.00 C ATOM 246 CD GLU A 15 1.062 7.889 9.859 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.540 8.468 10.834 1.00 0.00 O ATOM 248 OE2 GLU A 15 2.288 7.920 9.621 1.00 0.00 O ATOM 0 H GLU A 15 -2.569 7.256 10.883 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.199 6.530 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.719 6.352 10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.327 5.119 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.781 6.569 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.452 7.805 8.350 1.00 0.00 H new ATOM 255 N GLY A 16 -3.383 4.331 10.237 1.00 0.00 N ATOM 256 CA GLY A 16 -3.966 3.007 10.321 1.00 0.00 C ATOM 257 C GLY A 16 -5.280 2.914 9.573 1.00 0.00 C ATOM 258 O GLY A 16 -5.670 1.838 9.122 1.00 0.00 O ATOM 0 H GLY A 16 -3.506 4.908 11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.266 2.277 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.126 2.748 11.368 1.00 0.00 H new ATOM 262 N ARG A 17 -5.961 4.048 9.438 1.00 0.00 N ATOM 263 CA ARG A 17 -7.236 4.091 8.733 1.00 0.00 C ATOM 264 C ARG A 17 -7.019 4.033 7.228 1.00 0.00 C ATOM 265 O ARG A 17 -7.844 3.487 6.499 1.00 0.00 O ATOM 266 CB ARG A 17 -8.007 5.359 9.104 1.00 0.00 C ATOM 267 CG ARG A 17 -9.501 5.260 8.841 1.00 0.00 C ATOM 268 CD ARG A 17 -9.893 5.985 7.564 1.00 0.00 C ATOM 269 NE ARG A 17 -10.377 7.339 7.830 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.685 8.216 6.876 1.00 0.00 C ATOM 271 NH1 ARG A 17 -10.562 7.887 5.597 1.00 0.00 N ATOM 272 NH2 ARG A 17 -11.118 9.426 7.205 1.00 0.00 N ATOM 0 H ARG A 17 -5.651 4.947 9.807 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.822 3.222 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.846 5.577 10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.602 6.199 8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.790 4.211 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.048 5.683 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.034 6.032 6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.668 5.418 7.048 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.485 7.629 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.230 6.958 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.800 8.563 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.215 9.683 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.354 10.099 6.476 1.00 0.00 H new ATOM 286 N TYR A 18 -5.901 4.588 6.763 1.00 0.00 N ATOM 287 CA TYR A 18 -5.582 4.581 5.338 1.00 0.00 C ATOM 288 C TYR A 18 -5.784 3.191 4.753 1.00 0.00 C ATOM 289 O TYR A 18 -6.250 3.038 3.624 1.00 0.00 O ATOM 290 CB TYR A 18 -4.136 5.030 5.116 1.00 0.00 C ATOM 291 CG TYR A 18 -4.013 6.401 4.499 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.303 7.540 5.236 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.604 6.556 3.180 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.190 8.796 4.678 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.488 7.810 2.613 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.783 8.928 3.367 1.00 0.00 C ATOM 297 OH TYR A 18 -3.668 10.181 2.808 1.00 0.00 O ATOM 0 H TYR A 18 -5.204 5.046 7.350 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.253 5.276 4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.612 5.024 6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.635 4.306 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.622 7.441 6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.373 5.682 2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.419 9.673 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.169 7.915 1.587 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.724 10.442 2.782 1.00 0.00 H new ATOM 307 N ALA A 19 -5.438 2.183 5.539 1.00 0.00 N ATOM 308 CA ALA A 19 -5.586 0.803 5.113 1.00 0.00 C ATOM 309 C ALA A 19 -7.045 0.379 5.179 1.00 0.00 C ATOM 310 O ALA A 19 -7.554 -0.261 4.264 1.00 0.00 O ATOM 311 CB ALA A 19 -4.720 -0.111 5.969 1.00 0.00 C ATOM 0 H ALA A 19 -5.052 2.297 6.476 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.254 0.721 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.841 -1.142 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.675 0.181 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.023 -0.027 7.013 1.00 0.00 H new ATOM 317 N THR A 20 -7.718 0.744 6.264 1.00 0.00 N ATOM 318 CA THR A 20 -9.120 0.396 6.428 1.00 0.00 C ATOM 319 C THR A 20 -10.005 1.224 5.507 1.00 0.00 C ATOM 320 O THR A 20 -11.138 0.841 5.222 1.00 0.00 O ATOM 321 CB THR A 20 -9.557 0.553 7.883 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.534 1.150 8.658 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.913 -0.768 8.526 1.00 0.00 C ATOM 0 H THR A 20 -7.318 1.277 7.036 1.00 0.00 H new ATOM 0 HA THR A 20 -9.234 -0.652 6.150 1.00 0.00 H new ATOM 0 HB THR A 20 -10.442 1.188 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.837 1.242 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.217 -0.600 9.559 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.734 -1.230 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.046 -1.428 8.506 1.00 0.00 H new ATOM 331 N ALA A 21 -9.485 2.349 5.027 1.00 0.00 N ATOM 332 CA ALA A 21 -10.247 3.196 4.123 1.00 0.00 C ATOM 333 C ALA A 21 -9.916 2.868 2.673 1.00 0.00 C ATOM 334 O ALA A 21 -10.486 3.445 1.748 1.00 0.00 O ATOM 335 CB ALA A 21 -9.994 4.667 4.418 1.00 0.00 C ATOM 0 H ALA A 21 -8.549 2.691 5.247 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.307 2.998 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.574 5.281 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.293 4.889 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.933 4.886 4.294 1.00 0.00 H new ATOM 341 N LEU A 22 -9.016 1.910 2.486 1.00 0.00 N ATOM 342 CA LEU A 22 -8.635 1.467 1.155 1.00 0.00 C ATOM 343 C LEU A 22 -9.059 0.032 1.010 1.00 0.00 C ATOM 344 O LEU A 22 -9.691 -0.354 0.028 1.00 0.00 O ATOM 345 CB LEU A 22 -7.123 1.614 0.941 1.00 0.00 C ATOM 346 CG LEU A 22 -6.550 0.865 -0.269 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.455 -0.629 0.016 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.398 1.120 -1.507 1.00 0.00 C ATOM 0 H LEU A 22 -8.536 1.425 3.244 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.125 2.082 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.890 2.673 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.611 1.265 1.838 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.544 1.241 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.046 -1.140 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.803 -0.795 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.448 -1.022 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.976 0.580 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.416 0.775 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.410 2.188 -1.726 1.00 0.00 H new ATOM 360 N TYR A 23 -8.736 -0.749 2.023 1.00 0.00 N ATOM 361 CA TYR A 23 -9.112 -2.131 2.038 1.00 0.00 C ATOM 362 C TYR A 23 -10.611 -2.243 2.297 1.00 0.00 C ATOM 363 O TYR A 23 -11.214 -3.268 2.002 1.00 0.00 O ATOM 364 CB TYR A 23 -8.291 -2.893 3.077 1.00 0.00 C ATOM 365 CG TYR A 23 -9.097 -3.516 4.187 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.896 -4.615 3.937 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.058 -3.007 5.474 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.644 -5.198 4.935 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.800 -3.576 6.481 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.596 -4.672 6.212 1.00 0.00 C ATOM 371 OH TYR A 23 -11.335 -5.242 7.220 1.00 0.00 O ATOM 0 H TYR A 23 -8.213 -0.440 2.843 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.901 -2.584 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.729 -3.678 2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.562 -2.211 3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.935 -5.025 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.436 -2.151 5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.262 -6.058 4.722 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.761 -3.167 7.480 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.852 -5.156 8.069 1.00 0.00 H new ATOM 381 N SER A 24 -11.226 -1.170 2.821 1.00 0.00 N ATOM 382 CA SER A 24 -12.664 -1.186 3.064 1.00 0.00 C ATOM 383 C SER A 24 -13.372 -1.616 1.788 1.00 0.00 C ATOM 384 O SER A 24 -14.361 -2.349 1.822 1.00 0.00 O ATOM 385 CB SER A 24 -13.157 0.188 3.515 1.00 0.00 C ATOM 386 OG SER A 24 -12.323 1.220 3.016 1.00 0.00 O ATOM 0 H SER A 24 -10.756 -0.302 3.077 1.00 0.00 H new ATOM 0 HA SER A 24 -12.887 -1.893 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.179 0.343 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.180 0.230 4.604 1.00 0.00 H new ATOM 0 HG SER A 24 -12.853 2.034 2.884 1.00 0.00 H new ATOM 392 N ALA A 25 -12.814 -1.191 0.656 1.00 0.00 N ATOM 393 CA ALA A 25 -13.339 -1.564 -0.645 1.00 0.00 C ATOM 394 C ALA A 25 -12.931 -2.996 -0.935 1.00 0.00 C ATOM 395 O ALA A 25 -13.705 -3.783 -1.481 1.00 0.00 O ATOM 396 CB ALA A 25 -12.821 -0.625 -1.725 1.00 0.00 C ATOM 0 H ALA A 25 -11.994 -0.585 0.620 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.426 -1.486 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.227 -0.923 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.132 0.395 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.733 -0.674 -1.758 1.00 0.00 H new ATOM 402 N ALA A 26 -11.708 -3.330 -0.533 1.00 0.00 N ATOM 403 CA ALA A 26 -11.188 -4.678 -0.716 1.00 0.00 C ATOM 404 C ALA A 26 -11.935 -5.668 0.176 1.00 0.00 C ATOM 405 O ALA A 26 -12.013 -6.858 -0.129 1.00 0.00 O ATOM 406 CB ALA A 26 -9.696 -4.716 -0.417 1.00 0.00 C ATOM 0 H ALA A 26 -11.061 -2.685 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.342 -4.968 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.322 -5.730 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.172 -4.039 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.523 -4.406 0.614 1.00 0.00 H new ATOM 412 N SER A 27 -12.488 -5.164 1.277 1.00 0.00 N ATOM 413 CA SER A 27 -13.236 -5.992 2.213 1.00 0.00 C ATOM 414 C SER A 27 -14.547 -6.442 1.585 1.00 0.00 C ATOM 415 O SER A 27 -14.892 -7.621 1.622 1.00 0.00 O ATOM 416 CB SER A 27 -13.510 -5.220 3.507 1.00 0.00 C ATOM 417 OG SER A 27 -14.703 -4.460 3.409 1.00 0.00 O ATOM 0 H SER A 27 -12.430 -4.181 1.541 1.00 0.00 H new ATOM 0 HA SER A 27 -12.639 -6.872 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.588 -5.918 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.671 -4.558 3.723 1.00 0.00 H new ATOM 0 HG SER A 27 -14.548 -3.681 2.835 1.00 0.00 H new ATOM 423 N LYS A 28 -15.269 -5.492 0.993 1.00 0.00 N ATOM 424 CA LYS A 28 -16.535 -5.795 0.338 1.00 0.00 C ATOM 425 C LYS A 28 -16.345 -6.933 -0.657 1.00 0.00 C ATOM 426 O LYS A 28 -17.251 -7.730 -0.894 1.00 0.00 O ATOM 427 CB LYS A 28 -17.079 -4.557 -0.376 1.00 0.00 C ATOM 428 CG LYS A 28 -17.162 -3.328 0.515 1.00 0.00 C ATOM 429 CD LYS A 28 -18.355 -2.458 0.155 1.00 0.00 C ATOM 430 CE LYS A 28 -19.576 -2.812 0.989 1.00 0.00 C ATOM 431 NZ LYS A 28 -19.792 -4.283 1.061 1.00 0.00 N ATOM 0 H LYS A 28 -14.998 -4.509 0.955 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.256 -6.101 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.443 -4.333 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.072 -4.780 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.238 -3.638 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.245 -2.747 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.101 -1.409 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.588 -2.579 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.456 -2.413 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.458 -2.336 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.643 -4.482 1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.915 -4.663 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.968 -4.733 1.508 1.00 0.00 H new ATOM 445 N GLN A 29 -15.143 -7.006 -1.224 1.00 0.00 N ATOM 446 CA GLN A 29 -14.809 -8.051 -2.179 1.00 0.00 C ATOM 447 C GLN A 29 -14.332 -9.296 -1.443 1.00 0.00 C ATOM 448 O GLN A 29 -14.636 -10.418 -1.847 1.00 0.00 O ATOM 449 CB GLN A 29 -13.728 -7.565 -3.146 1.00 0.00 C ATOM 450 CG GLN A 29 -13.834 -8.178 -4.533 1.00 0.00 C ATOM 451 CD GLN A 29 -14.464 -7.237 -5.541 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.988 -7.104 -6.667 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.544 -6.576 -5.137 1.00 0.00 N ATOM 0 H GLN A 29 -14.385 -6.350 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.702 -8.298 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.789 -6.480 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.748 -7.797 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.839 -8.461 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.424 -9.093 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.905 -6.717 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.012 -5.928 -5.770 1.00 0.00 H new ATOM 462 N ASN A 30 -13.574 -9.083 -0.360 1.00 0.00 N ATOM 463 CA ASN A 30 -13.035 -10.176 0.452 1.00 0.00 C ATOM 464 C ASN A 30 -11.689 -10.618 -0.095 1.00 0.00 C ATOM 465 O ASN A 30 -11.293 -11.774 0.052 1.00 0.00 O ATOM 466 CB ASN A 30 -13.993 -11.373 0.515 1.00 0.00 C ATOM 467 CG ASN A 30 -15.434 -10.963 0.753 1.00 0.00 C ATOM 468 OD1 ASN A 30 -15.748 -9.776 0.847 1.00 0.00 O ATOM 469 ND2 ASN A 30 -16.320 -11.947 0.851 1.00 0.00 N ATOM 0 H ASN A 30 -13.320 -8.154 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.912 -9.799 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.929 -11.933 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.675 -12.045 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.304 -11.733 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.016 -12.917 0.767 1.00 0.00 H new ATOM 476 N LYS A 31 -10.989 -9.683 -0.725 1.00 0.00 N ATOM 477 CA LYS A 31 -9.686 -9.966 -1.295 1.00 0.00 C ATOM 478 C LYS A 31 -8.576 -9.596 -0.317 1.00 0.00 C ATOM 479 O LYS A 31 -7.433 -9.397 -0.721 1.00 0.00 O ATOM 480 CB LYS A 31 -9.505 -9.207 -2.611 1.00 0.00 C ATOM 481 CG LYS A 31 -9.828 -10.042 -3.840 1.00 0.00 C ATOM 482 CD LYS A 31 -8.868 -11.210 -3.987 1.00 0.00 C ATOM 483 CE LYS A 31 -9.580 -12.460 -4.479 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.954 -12.357 -5.917 1.00 0.00 N ATOM 0 H LYS A 31 -11.306 -8.722 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.626 -11.036 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.144 -8.324 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.476 -8.855 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.849 -10.416 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.779 -9.415 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.074 -10.944 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.393 -11.415 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.935 -13.326 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.477 -12.626 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.437 -13.229 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.590 -11.546 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.096 -12.224 -6.490 1.00 0.00 H new ATOM 498 N LEU A 32 -8.912 -9.504 0.972 1.00 0.00 N ATOM 499 CA LEU A 32 -7.928 -9.164 1.985 1.00 0.00 C ATOM 500 C LEU A 32 -6.694 -10.048 1.864 1.00 0.00 C ATOM 501 O LEU A 32 -5.586 -9.615 2.154 1.00 0.00 O ATOM 502 CB LEU A 32 -8.556 -9.287 3.368 1.00 0.00 C ATOM 503 CG LEU A 32 -9.334 -8.050 3.823 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.430 -7.139 4.641 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.920 -7.305 2.631 1.00 0.00 C ATOM 0 H LEU A 32 -9.854 -9.660 1.331 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.607 -8.133 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.228 -10.146 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.769 -9.493 4.094 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.164 -8.373 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.991 -6.261 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.068 -7.677 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.582 -6.825 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.468 -6.430 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.115 -6.987 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.598 -7.964 2.088 1.00 0.00 H new ATOM 517 N GLU A 33 -6.882 -11.276 1.402 1.00 0.00 N ATOM 518 CA GLU A 33 -5.756 -12.180 1.214 1.00 0.00 C ATOM 519 C GLU A 33 -4.924 -11.705 0.030 1.00 0.00 C ATOM 520 O GLU A 33 -3.710 -11.905 -0.020 1.00 0.00 O ATOM 521 CB GLU A 33 -6.242 -13.613 0.986 1.00 0.00 C ATOM 522 CG GLU A 33 -5.288 -14.671 1.516 1.00 0.00 C ATOM 523 CD GLU A 33 -5.165 -15.863 0.587 1.00 0.00 C ATOM 524 OE1 GLU A 33 -6.116 -16.117 -0.182 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.118 -16.542 0.628 1.00 0.00 O ATOM 0 H GLU A 33 -7.791 -11.666 1.153 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.141 -12.176 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.213 -13.739 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.390 -13.772 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.304 -14.226 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.634 -15.010 2.493 1.00 0.00 H new ATOM 532 N GLN A 34 -5.597 -11.051 -0.911 1.00 0.00 N ATOM 533 CA GLN A 34 -4.955 -10.506 -2.096 1.00 0.00 C ATOM 534 C GLN A 34 -4.646 -9.023 -1.909 1.00 0.00 C ATOM 535 O GLN A 34 -4.086 -8.381 -2.796 1.00 0.00 O ATOM 536 CB GLN A 34 -5.851 -10.711 -3.319 1.00 0.00 C ATOM 537 CG GLN A 34 -5.209 -10.278 -4.624 1.00 0.00 C ATOM 538 CD GLN A 34 -3.935 -11.040 -4.936 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.039 -10.411 -5.690 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -3.758 -12.178 -4.504 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.603 -10.885 -0.871 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.014 -11.034 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.120 -11.765 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.777 -10.154 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.920 -10.420 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.987 -9.212 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.474 -12.622 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.896 -12.678 -4.721 1.00 0.00 H new ATOM 549 N VAL A 35 -5.012 -8.480 -0.749 1.00 0.00 N ATOM 550 CA VAL A 35 -4.765 -7.075 -0.467 1.00 0.00 C ATOM 551 C VAL A 35 -4.088 -6.864 0.891 1.00 0.00 C ATOM 552 O VAL A 35 -3.727 -5.741 1.242 1.00 0.00 O ATOM 553 CB VAL A 35 -6.069 -6.251 -0.576 1.00 0.00 C ATOM 554 CG1 VAL A 35 -6.915 -6.284 0.688 1.00 0.00 C ATOM 555 CG2 VAL A 35 -5.740 -4.826 -0.984 1.00 0.00 C ATOM 0 H VAL A 35 -5.476 -8.990 0.002 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.069 -6.715 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.682 -6.718 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.814 -5.685 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.197 -7.313 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.341 -5.877 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.661 -4.248 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.089 -4.374 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.234 -4.832 -1.950 1.00 0.00 H new ATOM 565 N GLU A 36 -3.885 -7.950 1.633 1.00 0.00 N ATOM 566 CA GLU A 36 -3.214 -7.881 2.925 1.00 0.00 C ATOM 567 C GLU A 36 -1.770 -8.318 2.754 1.00 0.00 C ATOM 568 O GLU A 36 -0.859 -7.773 3.377 1.00 0.00 O ATOM 569 CB GLU A 36 -3.907 -8.774 3.958 1.00 0.00 C ATOM 570 CG GLU A 36 -3.285 -8.698 5.343 1.00 0.00 C ATOM 571 CD GLU A 36 -4.229 -9.166 6.432 1.00 0.00 C ATOM 572 OE1 GLU A 36 -5.455 -9.177 6.192 1.00 0.00 O ATOM 573 OE2 GLU A 36 -3.743 -9.525 7.526 1.00 0.00 O ATOM 0 H GLU A 36 -4.177 -8.888 1.360 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.257 -6.854 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.957 -8.491 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.877 -9.807 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.381 -9.306 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.983 -7.670 5.546 1.00 0.00 H new ATOM 580 N LYS A 37 -1.574 -9.301 1.881 1.00 0.00 N ATOM 581 CA LYS A 37 -0.247 -9.813 1.590 1.00 0.00 C ATOM 582 C LYS A 37 0.502 -8.829 0.707 1.00 0.00 C ATOM 583 O LYS A 37 1.695 -8.596 0.899 1.00 0.00 O ATOM 584 CB LYS A 37 -0.334 -11.179 0.906 1.00 0.00 C ATOM 585 CG LYS A 37 -0.309 -12.348 1.877 1.00 0.00 C ATOM 586 CD LYS A 37 1.108 -12.848 2.110 1.00 0.00 C ATOM 587 CE LYS A 37 1.159 -13.872 3.232 1.00 0.00 C ATOM 588 NZ LYS A 37 1.328 -13.229 4.564 1.00 0.00 N ATOM 0 H LYS A 37 -2.324 -9.758 1.362 1.00 0.00 H new ATOM 0 HA LYS A 37 0.295 -9.935 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.251 -11.224 0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.497 -11.280 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.749 -12.043 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.923 -13.160 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.494 -13.292 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.757 -12.007 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.242 -14.461 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.983 -14.563 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.358 -13.961 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.216 -12.687 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.529 -12.589 4.744 1.00 0.00 H new ATOM 602 N GLU A 38 -0.207 -8.235 -0.253 1.00 0.00 N ATOM 603 CA GLU A 38 0.404 -7.264 -1.138 1.00 0.00 C ATOM 604 C GLU A 38 0.968 -6.098 -0.334 1.00 0.00 C ATOM 605 O GLU A 38 2.104 -5.679 -0.549 1.00 0.00 O ATOM 606 CB GLU A 38 -0.627 -6.757 -2.141 1.00 0.00 C ATOM 607 CG GLU A 38 -0.690 -7.577 -3.419 1.00 0.00 C ATOM 608 CD GLU A 38 -0.905 -9.054 -3.153 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.021 -9.703 -2.623 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.000 -9.562 -3.473 1.00 0.00 O ATOM 0 H GLU A 38 -1.196 -8.412 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 38 1.221 -7.743 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.610 -6.758 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.396 -5.722 -2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.499 -7.203 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.236 -7.443 -3.978 1.00 0.00 H new ATOM 617 N LEU A 39 0.169 -5.582 0.595 1.00 0.00 N ATOM 618 CA LEU A 39 0.588 -4.462 1.434 1.00 0.00 C ATOM 619 C LEU A 39 1.980 -4.702 2.004 1.00 0.00 C ATOM 620 O LEU A 39 2.779 -3.773 2.127 1.00 0.00 O ATOM 621 CB LEU A 39 -0.418 -4.241 2.566 1.00 0.00 C ATOM 622 CG LEU A 39 -1.398 -3.087 2.341 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.797 -3.472 2.799 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.923 -1.834 3.062 1.00 0.00 C ATOM 0 H LEU A 39 -0.774 -5.921 0.787 1.00 0.00 H new ATOM 0 HA LEU A 39 0.623 -3.566 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.987 -5.159 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.131 -4.057 3.490 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.436 -2.874 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.478 -2.638 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.139 -4.339 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.778 -3.715 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.632 -1.024 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.852 -2.034 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.057 -1.545 2.682 1.00 0.00 H new ATOM 636 N LEU A 40 2.270 -5.954 2.338 1.00 0.00 N ATOM 637 CA LEU A 40 3.575 -6.311 2.882 1.00 0.00 C ATOM 638 C LEU A 40 4.680 -5.968 1.886 1.00 0.00 C ATOM 639 O LEU A 40 5.826 -5.733 2.270 1.00 0.00 O ATOM 640 CB LEU A 40 3.622 -7.801 3.225 1.00 0.00 C ATOM 641 CG LEU A 40 2.584 -8.263 4.250 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.662 -9.768 4.446 1.00 0.00 C ATOM 643 CD2 LEU A 40 2.785 -7.539 5.572 1.00 0.00 C ATOM 0 H LEU A 40 1.622 -6.736 2.242 1.00 0.00 H new ATOM 0 HA LEU A 40 3.735 -5.736 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.484 -8.374 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.616 -8.040 3.604 1.00 0.00 H new ATOM 0 HG LEU A 40 1.591 -8.019 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.917 -10.079 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.469 -10.269 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.656 -10.037 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.039 -7.879 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.782 -7.753 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.678 -6.465 5.419 1.00 0.00 H new ATOM 655 N ARG A 41 4.321 -5.935 0.607 1.00 0.00 N ATOM 656 CA ARG A 41 5.271 -5.615 -0.450 1.00 0.00 C ATOM 657 C ARG A 41 5.649 -4.139 -0.406 1.00 0.00 C ATOM 658 O ARG A 41 6.807 -3.779 -0.616 1.00 0.00 O ATOM 659 CB ARG A 41 4.680 -5.968 -1.816 1.00 0.00 C ATOM 660 CG ARG A 41 4.222 -7.413 -1.922 1.00 0.00 C ATOM 661 CD ARG A 41 5.307 -8.304 -2.508 1.00 0.00 C ATOM 662 NE ARG A 41 6.222 -8.802 -1.481 1.00 0.00 N ATOM 663 CZ ARG A 41 7.371 -8.210 -1.152 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.752 -7.091 -1.756 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.140 -8.740 -0.210 1.00 0.00 N ATOM 0 H ARG A 41 3.375 -6.127 0.277 1.00 0.00 H new ATOM 0 HA ARG A 41 6.173 -6.206 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.834 -5.311 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.426 -5.774 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.943 -7.780 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.330 -7.467 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.845 -9.147 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.870 -7.745 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 41 5.965 -9.656 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.164 -6.676 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.633 -6.646 -1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.852 -9.598 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.019 -8.290 0.044 1.00 0.00 H new ATOM 679 N VAL A 42 4.666 -3.287 -0.128 1.00 0.00 N ATOM 680 CA VAL A 42 4.903 -1.851 -0.052 1.00 0.00 C ATOM 681 C VAL A 42 5.939 -1.527 1.020 1.00 0.00 C ATOM 682 O VAL A 42 6.678 -0.548 0.908 1.00 0.00 O ATOM 683 CB VAL A 42 3.604 -1.076 0.249 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.855 0.425 0.213 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.509 -1.462 -0.734 1.00 0.00 C ATOM 0 H VAL A 42 3.701 -3.566 0.048 1.00 0.00 H new ATOM 0 HA VAL A 42 5.278 -1.539 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 42 3.271 -1.342 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.927 0.954 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.603 0.687 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.215 0.710 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.601 -0.904 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.832 -1.228 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.308 -2.530 -0.654 1.00 0.00 H new ATOM 695 N GLY A 43 5.991 -2.359 2.056 1.00 0.00 N ATOM 696 CA GLY A 43 6.944 -2.146 3.127 1.00 0.00 C ATOM 697 C GLY A 43 8.360 -2.480 2.706 1.00 0.00 C ATOM 698 O GLY A 43 9.301 -1.756 3.033 1.00 0.00 O ATOM 0 H GLY A 43 5.391 -3.175 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.898 -1.106 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.667 -2.759 3.985 1.00 0.00 H new ATOM 702 N GLN A 44 8.511 -3.576 1.969 1.00 0.00 N ATOM 703 CA GLN A 44 9.820 -4.002 1.493 1.00 0.00 C ATOM 704 C GLN A 44 10.380 -2.995 0.495 1.00 0.00 C ATOM 705 O GLN A 44 11.593 -2.820 0.386 1.00 0.00 O ATOM 706 CB GLN A 44 9.728 -5.385 0.847 1.00 0.00 C ATOM 707 CG GLN A 44 9.791 -6.529 1.847 1.00 0.00 C ATOM 708 CD GLN A 44 11.059 -7.351 1.716 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.698 -7.363 0.665 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.427 -8.044 2.787 1.00 0.00 N ATOM 0 H GLN A 44 7.742 -4.185 1.689 1.00 0.00 H new ATOM 0 HA GLN A 44 10.494 -4.057 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.795 -5.454 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.540 -5.496 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.726 -6.127 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.926 -7.177 1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.866 -8.004 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.271 -8.616 2.759 1.00 0.00 H new ATOM 719 N ILE A 45 9.483 -2.331 -0.232 1.00 0.00 N ATOM 720 CA ILE A 45 9.885 -1.338 -1.218 1.00 0.00 C ATOM 721 C ILE A 45 10.658 -0.198 -0.559 1.00 0.00 C ATOM 722 O ILE A 45 11.523 0.416 -1.180 1.00 0.00 O ATOM 723 CB ILE A 45 8.660 -0.767 -1.966 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.982 -1.868 -2.784 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.066 0.390 -2.870 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.546 -1.556 -3.147 1.00 0.00 C ATOM 0 H ILE A 45 8.475 -2.465 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 45 10.533 -1.838 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 45 7.953 -0.389 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.552 -2.033 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.011 -2.799 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.186 0.775 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.510 1.183 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.793 0.041 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.130 -2.380 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.962 -1.421 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.511 -0.642 -3.740 1.00 0.00 H new ATOM 738 N LEU A 46 10.341 0.079 0.702 1.00 0.00 N ATOM 739 CA LEU A 46 11.014 1.145 1.434 1.00 0.00 C ATOM 740 C LEU A 46 12.375 0.680 1.945 1.00 0.00 C ATOM 741 O LEU A 46 13.301 1.478 2.086 1.00 0.00 O ATOM 742 CB LEU A 46 10.150 1.620 2.605 1.00 0.00 C ATOM 743 CG LEU A 46 8.810 2.254 2.217 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.263 3.082 3.369 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.958 3.112 0.968 1.00 0.00 C ATOM 0 H LEU A 46 9.627 -0.417 1.235 1.00 0.00 H new ATOM 0 HA LEU A 46 11.168 1.978 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.955 0.770 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.721 2.344 3.186 1.00 0.00 H new ATOM 0 HG LEU A 46 8.104 1.453 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.311 3.526 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.114 2.442 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.971 3.873 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.994 3.551 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.680 3.906 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.306 2.493 0.141 1.00 0.00 H new ATOM 757 N LYS A 47 12.490 -0.616 2.213 1.00 0.00 N ATOM 758 CA LYS A 47 13.739 -1.186 2.700 1.00 0.00 C ATOM 759 C LYS A 47 14.742 -1.332 1.561 1.00 0.00 C ATOM 760 O LYS A 47 15.953 -1.308 1.778 1.00 0.00 O ATOM 761 CB LYS A 47 13.486 -2.547 3.351 1.00 0.00 C ATOM 762 CG LYS A 47 14.617 -3.007 4.257 1.00 0.00 C ATOM 763 CD LYS A 47 14.669 -4.524 4.355 1.00 0.00 C ATOM 764 CE LYS A 47 13.812 -5.037 5.501 1.00 0.00 C ATOM 765 NZ LYS A 47 13.913 -6.515 5.651 1.00 0.00 N ATOM 0 H LYS A 47 11.733 -1.291 2.101 1.00 0.00 H new ATOM 0 HA LYS A 47 14.155 -0.509 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.564 -2.498 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.332 -3.291 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.567 -2.633 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.484 -2.581 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.326 -4.962 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.701 -4.845 4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.121 -4.556 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.772 -4.760 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.314 -6.825 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.594 -6.975 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.901 -6.778 5.841 1.00 0.00 H new ATOM 779 N GLU A 48 14.226 -1.479 0.344 1.00 0.00 N ATOM 780 CA GLU A 48 15.072 -1.627 -0.833 1.00 0.00 C ATOM 781 C GLU A 48 15.944 -0.387 -1.034 1.00 0.00 C ATOM 782 O GLU A 48 15.438 0.687 -1.361 1.00 0.00 O ATOM 783 CB GLU A 48 14.210 -1.863 -2.074 1.00 0.00 C ATOM 784 CG GLU A 48 13.952 -3.332 -2.366 1.00 0.00 C ATOM 785 CD GLU A 48 15.231 -4.116 -2.581 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.723 -4.147 -3.729 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.741 -4.700 -1.602 1.00 0.00 O ATOM 0 H GLU A 48 13.225 -1.499 0.149 1.00 0.00 H new ATOM 0 HA GLU A 48 15.723 -2.487 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.255 -1.354 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.698 -1.410 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.396 -3.771 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.324 -3.418 -3.253 1.00 0.00 H new ATOM 794 N PRO A 49 17.271 -0.514 -0.843 1.00 0.00 N ATOM 795 CA PRO A 49 18.200 0.609 -1.008 1.00 0.00 C ATOM 796 C PRO A 49 18.007 1.328 -2.338 1.00 0.00 C ATOM 797 O PRO A 49 18.034 2.558 -2.400 1.00 0.00 O ATOM 798 CB PRO A 49 19.575 -0.059 -0.954 1.00 0.00 C ATOM 799 CG PRO A 49 19.365 -1.291 -0.145 1.00 0.00 C ATOM 800 CD PRO A 49 17.968 -1.755 -0.451 1.00 0.00 C ATOM 0 HA PRO A 49 18.054 1.376 -0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.938 -0.299 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.315 0.595 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.096 -2.057 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.483 -1.084 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.957 -2.492 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.501 -2.221 0.417 1.00 0.00 H new ATOM 808 N LYS A 50 17.810 0.555 -3.400 1.00 0.00 N ATOM 809 CA LYS A 50 17.608 1.120 -4.730 1.00 0.00 C ATOM 810 C LYS A 50 16.281 1.867 -4.806 1.00 0.00 C ATOM 811 O LYS A 50 16.142 2.832 -5.558 1.00 0.00 O ATOM 812 CB LYS A 50 17.647 0.015 -5.788 1.00 0.00 C ATOM 813 CG LYS A 50 18.255 0.460 -7.108 1.00 0.00 C ATOM 814 CD LYS A 50 19.747 0.723 -6.974 1.00 0.00 C ATOM 815 CE LYS A 50 20.505 0.263 -8.208 1.00 0.00 C ATOM 816 NZ LYS A 50 20.816 -1.193 -8.159 1.00 0.00 N ATOM 0 H LYS A 50 17.786 -0.464 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 50 18.414 1.827 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.218 -0.828 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.633 -0.342 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.086 -0.307 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.755 1.365 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.917 1.788 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.132 0.205 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.914 0.478 -9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.432 0.829 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.333 -1.467 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.402 -1.395 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.931 -1.735 -8.100 1.00 0.00 H new ATOM 830 N MET A 51 15.307 1.415 -4.020 1.00 0.00 N ATOM 831 CA MET A 51 13.991 2.040 -3.997 1.00 0.00 C ATOM 832 C MET A 51 14.024 3.353 -3.222 1.00 0.00 C ATOM 833 O MET A 51 13.353 4.318 -3.587 1.00 0.00 O ATOM 834 CB MET A 51 12.964 1.094 -3.373 1.00 0.00 C ATOM 835 CG MET A 51 12.625 -0.104 -4.246 1.00 0.00 C ATOM 836 SD MET A 51 12.037 0.370 -5.885 1.00 0.00 S ATOM 837 CE MET A 51 10.955 1.738 -5.480 1.00 0.00 C ATOM 0 H MET A 51 15.406 0.618 -3.391 1.00 0.00 H new ATOM 0 HA MET A 51 13.702 2.253 -5.026 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.346 0.738 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.050 1.651 -3.165 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.509 -0.734 -4.350 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.862 -0.705 -3.751 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.112 1.752 -6.171 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.587 1.621 -4.461 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.507 2.675 -5.562 1.00 0.00 H new ATOM 847 N ALA A 52 14.809 3.382 -2.149 1.00 0.00 N ATOM 848 CA ALA A 52 14.930 4.577 -1.321 1.00 0.00 C ATOM 849 C ALA A 52 15.370 5.780 -2.149 1.00 0.00 C ATOM 850 O ALA A 52 15.048 6.922 -1.822 1.00 0.00 O ATOM 851 CB ALA A 52 15.907 4.332 -0.181 1.00 0.00 C ATOM 0 H ALA A 52 15.371 2.592 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 52 13.948 4.799 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.988 5.232 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.548 3.507 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.886 4.081 -0.589 1.00 0.00 H new ATOM 857 N ALA A 53 16.109 5.516 -3.223 1.00 0.00 N ATOM 858 CA ALA A 53 16.593 6.577 -4.097 1.00 0.00 C ATOM 859 C ALA A 53 15.455 7.185 -4.910 1.00 0.00 C ATOM 860 O ALA A 53 15.511 8.352 -5.295 1.00 0.00 O ATOM 861 CB ALA A 53 17.677 6.044 -5.020 1.00 0.00 C ATOM 0 H ALA A 53 16.385 4.576 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 53 17.016 7.364 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.030 6.846 -5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.508 5.666 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.271 5.237 -5.630 1.00 0.00 H new ATOM 867 N SER A 54 14.424 6.385 -5.170 1.00 0.00 N ATOM 868 CA SER A 54 13.274 6.848 -5.940 1.00 0.00 C ATOM 869 C SER A 54 12.141 7.288 -5.021 1.00 0.00 C ATOM 870 O SER A 54 11.480 8.295 -5.272 1.00 0.00 O ATOM 871 CB SER A 54 12.785 5.741 -6.877 1.00 0.00 C ATOM 872 OG SER A 54 13.808 5.336 -7.768 1.00 0.00 O ATOM 0 H SER A 54 14.362 5.415 -4.859 1.00 0.00 H new ATOM 0 HA SER A 54 13.588 7.707 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.450 4.886 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.924 6.095 -7.444 1.00 0.00 H new ATOM 0 HG SER A 54 13.470 4.627 -8.354 1.00 0.00 H new ATOM 878 N LEU A 55 11.921 6.526 -3.955 1.00 0.00 N ATOM 879 CA LEU A 55 10.865 6.836 -2.998 1.00 0.00 C ATOM 880 C LEU A 55 11.048 8.234 -2.410 1.00 0.00 C ATOM 881 O LEU A 55 10.086 8.854 -1.955 1.00 0.00 O ATOM 882 CB LEU A 55 10.847 5.799 -1.873 1.00 0.00 C ATOM 883 CG LEU A 55 10.455 4.385 -2.304 1.00 0.00 C ATOM 884 CD1 LEU A 55 11.072 3.353 -1.373 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.941 4.240 -2.336 1.00 0.00 C ATOM 0 H LEU A 55 12.460 5.689 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 55 9.913 6.808 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.836 5.763 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.153 6.133 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 55 10.839 4.212 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.782 2.353 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.158 3.442 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.719 3.523 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.679 3.228 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.536 4.433 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.522 4.955 -3.044 1.00 0.00 H new ATOM 897 N LEU A 56 12.283 8.725 -2.421 1.00 0.00 N ATOM 898 CA LEU A 56 12.582 10.048 -1.886 1.00 0.00 C ATOM 899 C LEU A 56 13.298 10.913 -2.920 1.00 0.00 C ATOM 900 O LEU A 56 14.179 11.702 -2.578 1.00 0.00 O ATOM 901 CB LEU A 56 13.438 9.930 -0.624 1.00 0.00 C ATOM 902 CG LEU A 56 13.148 10.975 0.455 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.280 12.380 -0.113 1.00 0.00 C ATOM 904 CD2 LEU A 56 11.762 10.763 1.042 1.00 0.00 C ATOM 0 H LEU A 56 13.092 8.227 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 56 11.636 10.528 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.293 8.938 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.488 10.004 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 56 13.881 10.858 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.070 13.110 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.294 12.528 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.571 12.510 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.572 11.515 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.015 10.852 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.703 9.770 1.487 1.00 0.00 H new ATOM 916 N ASN A 57 12.916 10.766 -4.184 1.00 0.00 N ATOM 917 CA ASN A 57 13.524 11.540 -5.256 1.00 0.00 C ATOM 918 C ASN A 57 12.527 12.542 -5.835 1.00 0.00 C ATOM 919 O ASN A 57 11.580 12.158 -6.520 1.00 0.00 O ATOM 920 CB ASN A 57 14.032 10.611 -6.361 1.00 0.00 C ATOM 921 CG ASN A 57 15.521 10.757 -6.602 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.301 10.919 -5.664 1.00 0.00 O ATOM 923 ND2 ASN A 57 15.925 10.700 -7.866 1.00 0.00 N ATOM 0 H ASN A 57 12.189 10.119 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 57 14.367 12.091 -4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.810 9.578 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.495 10.823 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.916 10.792 -8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.244 10.564 -8.613 1.00 0.00 H new ATOM 930 N PRO A 58 12.728 13.849 -5.574 1.00 0.00 N ATOM 931 CA PRO A 58 11.838 14.899 -6.084 1.00 0.00 C ATOM 932 C PRO A 58 11.710 14.860 -7.606 1.00 0.00 C ATOM 933 O PRO A 58 10.817 15.481 -8.182 1.00 0.00 O ATOM 934 CB PRO A 58 12.518 16.199 -5.641 1.00 0.00 C ATOM 935 CG PRO A 58 13.377 15.808 -4.488 1.00 0.00 C ATOM 936 CD PRO A 58 13.833 14.404 -4.772 1.00 0.00 C ATOM 0 HA PRO A 58 10.822 14.786 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.111 16.629 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.783 16.950 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.228 16.482 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.820 15.856 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.775 14.389 -5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.989 13.837 -3.854 1.00 0.00 H new ATOM 944 N TYR A 59 12.614 14.127 -8.247 1.00 0.00 N ATOM 945 CA TYR A 59 12.621 13.998 -9.697 1.00 0.00 C ATOM 946 C TYR A 59 11.547 13.020 -10.168 1.00 0.00 C ATOM 947 O TYR A 59 11.025 13.144 -11.276 1.00 0.00 O ATOM 948 CB TYR A 59 14.000 13.530 -10.163 1.00 0.00 C ATOM 949 CG TYR A 59 15.133 14.354 -9.592 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.599 14.132 -8.301 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.731 15.361 -10.340 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.625 14.888 -7.773 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.762 16.120 -9.818 1.00 0.00 C ATOM 954 CZ TYR A 59 17.205 15.880 -8.534 1.00 0.00 C ATOM 955 OH TYR A 59 18.229 16.636 -8.012 1.00 0.00 O ATOM 0 H TYR A 59 13.357 13.609 -7.778 1.00 0.00 H new ATOM 0 HA TYR A 59 12.401 14.973 -10.132 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.138 12.487 -9.878 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.042 13.571 -11.251 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.150 13.354 -7.701 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.385 15.554 -11.345 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.972 14.703 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.218 16.897 -10.413 1.00 0.00 H new ATOM 0 HH TYR A 59 18.526 17.290 -8.679 1.00 0.00 H new ATOM 965 N VAL A 60 11.223 12.049 -9.320 1.00 0.00 N ATOM 966 CA VAL A 60 10.211 11.052 -9.653 1.00 0.00 C ATOM 967 C VAL A 60 8.832 11.691 -9.796 1.00 0.00 C ATOM 968 O VAL A 60 7.936 11.120 -10.415 1.00 0.00 O ATOM 969 CB VAL A 60 10.138 9.935 -8.591 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.418 8.718 -9.150 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.533 9.560 -8.106 1.00 0.00 C ATOM 0 H VAL A 60 11.645 11.931 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 60 10.509 10.614 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 60 9.572 10.308 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.375 7.939 -8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.405 8.997 -9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.957 8.345 -10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.458 8.771 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.128 9.206 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.012 10.434 -7.665 1.00 0.00 H new ATOM 981 N LYS A 61 8.667 12.881 -9.221 1.00 0.00 N ATOM 982 CA LYS A 61 7.397 13.595 -9.289 1.00 0.00 C ATOM 983 C LYS A 61 6.257 12.744 -8.741 1.00 0.00 C ATOM 984 O LYS A 61 6.476 11.642 -8.237 1.00 0.00 O ATOM 985 CB LYS A 61 7.096 14.001 -10.733 1.00 0.00 C ATOM 986 CG LYS A 61 6.424 15.360 -10.856 1.00 0.00 C ATOM 987 CD LYS A 61 6.885 16.099 -12.102 1.00 0.00 C ATOM 988 CE LYS A 61 5.745 16.874 -12.742 1.00 0.00 C ATOM 989 NZ LYS A 61 5.885 16.947 -14.222 1.00 0.00 N ATOM 0 H LYS A 61 9.398 13.369 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 61 7.481 14.491 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.027 14.013 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.455 13.246 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.342 15.231 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.647 15.959 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.692 16.784 -11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.291 15.386 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.797 16.399 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.716 17.883 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.088 17.484 -14.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.778 17.423 -14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.887 15.985 -14.618 1.00 0.00 H new ATOM 1003 N ARG A 62 5.037 13.264 -8.843 1.00 0.00 N ATOM 1004 CA ARG A 62 3.859 12.553 -8.360 1.00 0.00 C ATOM 1005 C ARG A 62 3.198 11.770 -9.489 1.00 0.00 C ATOM 1006 O ARG A 62 3.045 10.551 -9.405 1.00 0.00 O ATOM 1007 CB ARG A 62 2.859 13.536 -7.749 1.00 0.00 C ATOM 1008 CG ARG A 62 1.653 12.862 -7.116 1.00 0.00 C ATOM 1009 CD ARG A 62 0.479 12.802 -8.078 1.00 0.00 C ATOM 1010 NE ARG A 62 -0.177 14.100 -8.222 1.00 0.00 N ATOM 1011 CZ ARG A 62 -1.402 14.260 -8.716 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -2.108 13.208 -9.114 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -1.925 15.475 -8.813 1.00 0.00 N ATOM 0 H ARG A 62 4.839 14.175 -9.256 1.00 0.00 H new ATOM 0 HA ARG A 62 4.178 11.848 -7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.367 14.136 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.516 14.222 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.921 11.852 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.361 13.406 -6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.826 12.461 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.244 12.068 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 62 0.334 14.932 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.712 12.271 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.047 13.337 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.388 16.287 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.864 15.597 -9.192 1.00 0.00 H new ATOM 1027 N SER A 63 2.807 12.478 -10.544 1.00 0.00 N ATOM 1028 CA SER A 63 2.163 11.849 -11.691 1.00 0.00 C ATOM 1029 C SER A 63 3.080 10.809 -12.325 1.00 0.00 C ATOM 1030 O SER A 63 2.678 9.669 -12.550 1.00 0.00 O ATOM 1031 CB SER A 63 1.774 12.905 -12.728 1.00 0.00 C ATOM 1032 OG SER A 63 0.690 12.461 -13.526 1.00 0.00 O ATOM 0 H SER A 63 2.925 13.488 -10.628 1.00 0.00 H new ATOM 0 HA SER A 63 1.261 11.347 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.502 13.832 -12.223 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.631 13.128 -13.364 1.00 0.00 H new ATOM 0 HG SER A 63 0.459 13.154 -14.179 1.00 0.00 H new ATOM 1038 N VAL A 64 4.317 11.210 -12.605 1.00 0.00 N ATOM 1039 CA VAL A 64 5.291 10.308 -13.208 1.00 0.00 C ATOM 1040 C VAL A 64 5.493 9.070 -12.342 1.00 0.00 C ATOM 1041 O VAL A 64 5.576 7.952 -12.849 1.00 0.00 O ATOM 1042 CB VAL A 64 6.648 11.006 -13.419 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.604 10.103 -14.182 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.459 12.329 -14.148 1.00 0.00 C ATOM 0 H VAL A 64 4.667 12.151 -12.424 1.00 0.00 H new ATOM 0 HA VAL A 64 4.894 10.010 -14.178 1.00 0.00 H new ATOM 0 HB VAL A 64 7.084 11.212 -12.441 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.556 10.615 -14.320 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.765 9.184 -13.618 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.177 9.861 -15.156 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.428 12.809 -14.289 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.000 12.147 -15.120 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.814 12.980 -13.558 1.00 0.00 H new ATOM 1054 N LYS A 65 5.565 9.279 -11.030 1.00 0.00 N ATOM 1055 CA LYS A 65 5.751 8.179 -10.090 1.00 0.00 C ATOM 1056 C LYS A 65 4.636 7.148 -10.237 1.00 0.00 C ATOM 1057 O LYS A 65 4.852 5.953 -10.036 1.00 0.00 O ATOM 1058 CB LYS A 65 5.783 8.709 -8.654 1.00 0.00 C ATOM 1059 CG LYS A 65 5.994 7.625 -7.609 1.00 0.00 C ATOM 1060 CD LYS A 65 7.381 7.011 -7.714 1.00 0.00 C ATOM 1061 CE LYS A 65 7.411 5.602 -7.146 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.504 4.785 -7.742 1.00 0.00 N ATOM 0 H LYS A 65 5.497 10.199 -10.595 1.00 0.00 H new ATOM 0 HA LYS A 65 6.702 7.697 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.580 9.447 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.846 9.226 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.856 8.047 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.240 6.847 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.693 6.990 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.098 7.635 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.542 5.649 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.453 5.116 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.555 3.867 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.312 4.633 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.410 5.285 -7.633 1.00 0.00 H new ATOM 1076 N VAL A 66 3.444 7.620 -10.590 1.00 0.00 N ATOM 1077 CA VAL A 66 2.295 6.740 -10.765 1.00 0.00 C ATOM 1078 C VAL A 66 2.566 5.690 -11.837 1.00 0.00 C ATOM 1079 O VAL A 66 2.271 4.509 -11.652 1.00 0.00 O ATOM 1080 CB VAL A 66 1.031 7.535 -11.146 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.187 6.623 -11.177 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.816 8.689 -10.178 1.00 0.00 C ATOM 0 H VAL A 66 3.249 8.607 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 66 2.127 6.244 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 66 1.172 7.948 -12.145 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.069 7.203 -11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.032 5.834 -11.912 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.334 6.178 -10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.081 9.240 -10.462 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.697 8.299 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.677 9.356 -10.211 1.00 0.00 H new ATOM 1092 N LYS A 67 3.129 6.126 -12.959 1.00 0.00 N ATOM 1093 CA LYS A 67 3.440 5.221 -14.059 1.00 0.00 C ATOM 1094 C LYS A 67 4.476 4.187 -13.632 1.00 0.00 C ATOM 1095 O LYS A 67 4.391 3.018 -14.005 1.00 0.00 O ATOM 1096 CB LYS A 67 3.952 6.008 -15.267 1.00 0.00 C ATOM 1097 CG LYS A 67 3.554 5.400 -16.602 1.00 0.00 C ATOM 1098 CD LYS A 67 4.636 5.600 -17.650 1.00 0.00 C ATOM 1099 CE LYS A 67 4.483 4.620 -18.803 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.301 3.223 -18.324 1.00 0.00 N ATOM 0 H LYS A 67 3.379 7.100 -13.130 1.00 0.00 H new ATOM 0 HA LYS A 67 2.525 4.699 -14.339 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.571 7.028 -15.214 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.039 6.071 -15.215 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.362 4.335 -16.475 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.624 5.853 -16.946 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.592 6.621 -18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.616 5.473 -17.191 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.627 4.909 -19.414 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.364 4.672 -19.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.601 2.560 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.876 3.071 -17.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.299 3.061 -18.099 1.00 0.00 H new ATOM 1114 N SER A 68 5.453 4.627 -12.846 1.00 0.00 N ATOM 1115 CA SER A 68 6.505 3.739 -12.365 1.00 0.00 C ATOM 1116 C SER A 68 5.925 2.643 -11.477 1.00 0.00 C ATOM 1117 O SER A 68 6.461 1.538 -11.407 1.00 0.00 O ATOM 1118 CB SER A 68 7.559 4.533 -11.593 1.00 0.00 C ATOM 1119 OG SER A 68 7.095 4.872 -10.298 1.00 0.00 O ATOM 0 H SER A 68 5.538 5.593 -12.529 1.00 0.00 H new ATOM 0 HA SER A 68 6.976 3.271 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.474 3.946 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.809 5.441 -12.142 1.00 0.00 H new ATOM 0 HG SER A 68 6.121 4.980 -10.317 1.00 0.00 H new ATOM 1125 N LEU A 69 4.824 2.958 -10.800 1.00 0.00 N ATOM 1126 CA LEU A 69 4.171 2.000 -9.917 1.00 0.00 C ATOM 1127 C LEU A 69 3.665 0.794 -10.701 1.00 0.00 C ATOM 1128 O LEU A 69 3.693 -0.334 -10.209 1.00 0.00 O ATOM 1129 CB LEU A 69 3.010 2.666 -9.176 1.00 0.00 C ATOM 1130 CG LEU A 69 3.415 3.753 -8.181 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.240 4.673 -7.888 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.941 3.130 -6.896 1.00 0.00 C ATOM 0 H LEU A 69 4.367 3.869 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 69 4.906 1.655 -9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.333 3.102 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.451 1.897 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 69 4.213 4.348 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.547 5.441 -7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.909 5.146 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.421 4.093 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.225 3.918 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.164 2.511 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.812 2.514 -7.120 1.00 0.00 H new ATOM 1144 N SER A 70 3.203 1.038 -11.924 1.00 0.00 N ATOM 1145 CA SER A 70 2.694 -0.030 -12.777 1.00 0.00 C ATOM 1146 C SER A 70 3.752 -1.109 -12.984 1.00 0.00 C ATOM 1147 O SER A 70 3.456 -2.302 -12.918 1.00 0.00 O ATOM 1148 CB SER A 70 2.249 0.533 -14.127 1.00 0.00 C ATOM 1149 OG SER A 70 0.880 0.900 -14.102 1.00 0.00 O ATOM 0 H SER A 70 3.171 1.966 -12.346 1.00 0.00 H new ATOM 0 HA SER A 70 1.834 -0.480 -12.281 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.857 1.402 -14.380 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.415 -0.210 -14.907 1.00 0.00 H new ATOM 0 HG SER A 70 0.621 1.259 -14.977 1.00 0.00 H new ATOM 1155 N ASP A 71 4.986 -0.681 -13.228 1.00 0.00 N ATOM 1156 CA ASP A 71 6.089 -1.614 -13.436 1.00 0.00 C ATOM 1157 C ASP A 71 6.665 -2.088 -12.103 1.00 0.00 C ATOM 1158 O ASP A 71 7.603 -2.884 -12.071 1.00 0.00 O ATOM 1159 CB ASP A 71 7.186 -0.964 -14.279 1.00 0.00 C ATOM 1160 CG ASP A 71 6.793 -0.835 -15.738 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.948 -1.631 -16.198 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.332 0.062 -16.421 1.00 0.00 O ATOM 0 H ASP A 71 5.248 0.303 -13.287 1.00 0.00 H new ATOM 0 HA ASP A 71 5.699 -2.481 -13.969 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.412 0.024 -13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.098 -1.556 -14.202 1.00 0.00 H new ATOM 1167 N MET A 72 6.086 -1.610 -11.005 1.00 0.00 N ATOM 1168 CA MET A 72 6.527 -1.999 -9.675 1.00 0.00 C ATOM 1169 C MET A 72 5.530 -2.979 -9.078 1.00 0.00 C ATOM 1170 O MET A 72 5.894 -3.880 -8.322 1.00 0.00 O ATOM 1171 CB MET A 72 6.666 -0.771 -8.773 1.00 0.00 C ATOM 1172 CG MET A 72 7.115 -1.102 -7.359 1.00 0.00 C ATOM 1173 SD MET A 72 6.893 0.277 -6.219 1.00 0.00 S ATOM 1174 CE MET A 72 5.163 0.094 -5.798 1.00 0.00 C ATOM 0 H MET A 72 5.308 -0.951 -11.014 1.00 0.00 H new ATOM 0 HA MET A 72 7.503 -2.477 -9.751 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.382 -0.081 -9.220 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.708 -0.253 -8.729 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.553 -1.963 -6.996 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.166 -1.390 -7.374 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.905 0.797 -5.006 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.551 0.297 -6.677 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.978 -0.924 -5.454 1.00 0.00 H new ATOM 1184 N THR A 73 4.265 -2.801 -9.446 1.00 0.00 N ATOM 1185 CA THR A 73 3.201 -3.670 -8.978 1.00 0.00 C ATOM 1186 C THR A 73 3.279 -5.018 -9.692 1.00 0.00 C ATOM 1187 O THR A 73 2.915 -6.052 -9.132 1.00 0.00 O ATOM 1188 CB THR A 73 1.838 -2.997 -9.219 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.474 -2.186 -8.120 1.00 0.00 O ATOM 1190 CG2 THR A 73 0.706 -3.964 -9.470 1.00 0.00 C ATOM 0 H THR A 73 3.955 -2.057 -10.071 1.00 0.00 H new ATOM 0 HA THR A 73 3.316 -3.844 -7.908 1.00 0.00 H new ATOM 0 HB THR A 73 1.981 -2.404 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.637 -1.718 -8.322 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.218 -3.409 -9.630 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.928 -4.562 -10.354 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.590 -4.620 -8.607 1.00 0.00 H new ATOM 1198 N ALA A 74 3.757 -4.997 -10.933 1.00 0.00 N ATOM 1199 CA ALA A 74 3.882 -6.213 -11.724 1.00 0.00 C ATOM 1200 C ALA A 74 5.034 -7.085 -11.230 1.00 0.00 C ATOM 1201 O ALA A 74 5.106 -8.270 -11.556 1.00 0.00 O ATOM 1202 CB ALA A 74 4.073 -5.869 -13.192 1.00 0.00 C ATOM 0 H ALA A 74 4.064 -4.150 -11.411 1.00 0.00 H new ATOM 0 HA ALA A 74 2.960 -6.782 -11.609 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.165 -6.787 -13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.214 -5.300 -13.547 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.977 -5.272 -13.311 1.00 0.00 H new ATOM 1208 N LYS A 75 5.938 -6.496 -10.449 1.00 0.00 N ATOM 1209 CA LYS A 75 7.082 -7.235 -9.926 1.00 0.00 C ATOM 1210 C LYS A 75 7.055 -7.315 -8.402 1.00 0.00 C ATOM 1211 O LYS A 75 8.072 -7.604 -7.772 1.00 0.00 O ATOM 1212 CB LYS A 75 8.388 -6.587 -10.390 1.00 0.00 C ATOM 1213 CG LYS A 75 9.490 -7.588 -10.695 1.00 0.00 C ATOM 1214 CD LYS A 75 10.518 -7.011 -11.654 1.00 0.00 C ATOM 1215 CE LYS A 75 11.009 -8.056 -12.641 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.285 -7.979 -13.939 1.00 0.00 N ATOM 0 H LYS A 75 5.900 -5.517 -10.167 1.00 0.00 H new ATOM 0 HA LYS A 75 7.022 -8.251 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.192 -5.993 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.736 -5.900 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.981 -7.883 -9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.055 -8.490 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.080 -6.174 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.363 -6.617 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.077 -7.920 -12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.880 -9.050 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.650 -8.709 -14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.269 -8.135 -13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.429 -7.040 -14.362 1.00 0.00 H new ATOM 1230 N GLU A 76 5.890 -7.066 -7.813 1.00 0.00 N ATOM 1231 CA GLU A 76 5.746 -7.122 -6.364 1.00 0.00 C ATOM 1232 C GLU A 76 4.634 -8.089 -5.973 1.00 0.00 C ATOM 1233 O GLU A 76 4.858 -9.033 -5.216 1.00 0.00 O ATOM 1234 CB GLU A 76 5.449 -5.728 -5.804 1.00 0.00 C ATOM 1235 CG GLU A 76 6.651 -5.069 -5.146 1.00 0.00 C ATOM 1236 CD GLU A 76 7.555 -4.375 -6.145 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.835 -4.972 -7.207 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.984 -3.236 -5.868 1.00 0.00 O ATOM 0 H GLU A 76 5.035 -6.824 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 76 6.684 -7.480 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.092 -5.089 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.642 -5.802 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.305 -4.344 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.224 -5.823 -4.606 1.00 0.00 H new ATOM 1245 N LYS A 77 3.439 -7.842 -6.504 1.00 0.00 N ATOM 1246 CA LYS A 77 2.266 -8.675 -6.233 1.00 0.00 C ATOM 1247 C LYS A 77 0.990 -7.902 -6.550 1.00 0.00 C ATOM 1248 O LYS A 77 0.008 -8.469 -7.029 1.00 0.00 O ATOM 1249 CB LYS A 77 2.242 -9.140 -4.772 1.00 0.00 C ATOM 1250 CG LYS A 77 2.704 -10.576 -4.583 1.00 0.00 C ATOM 1251 CD LYS A 77 1.527 -11.539 -4.545 1.00 0.00 C ATOM 1252 CE LYS A 77 1.908 -12.906 -5.090 1.00 0.00 C ATOM 1253 NZ LYS A 77 1.245 -14.008 -4.339 1.00 0.00 N ATOM 0 H LYS A 77 3.255 -7.061 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 77 2.324 -9.556 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.877 -8.482 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.228 -9.039 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.376 -10.853 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.273 -10.658 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.172 -11.641 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.702 -11.130 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.632 -12.967 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.990 -13.030 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.531 -14.923 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.528 -13.966 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.213 -13.905 -4.411 1.00 0.00 H new ATOM 1267 N PHE A 78 1.020 -6.599 -6.275 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.116 -5.719 -6.525 1.00 0.00 C ATOM 1269 C PHE A 78 -0.748 -5.974 -7.871 1.00 0.00 C ATOM 1270 O PHE A 78 -0.202 -6.700 -8.701 1.00 0.00 O ATOM 1271 CB PHE A 78 0.327 -4.266 -6.463 1.00 0.00 C ATOM 1272 CG PHE A 78 1.161 -3.959 -5.274 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.804 -4.433 -4.033 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.310 -3.208 -5.405 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.583 -4.164 -2.933 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.096 -2.932 -4.309 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.733 -3.414 -3.067 1.00 0.00 C ATOM 0 H PHE A 78 1.830 -6.127 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.856 -5.927 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.890 -4.026 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.554 -3.624 -6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.095 -5.021 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.596 -2.833 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.294 -4.540 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.993 -2.341 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.347 -3.205 -2.204 1.00 0.00 H new ATOM 1287 N SER A 79 -1.889 -5.332 -8.082 1.00 0.00 N ATOM 1288 CA SER A 79 -2.616 -5.430 -9.340 1.00 0.00 C ATOM 1289 C SER A 79 -4.124 -5.363 -9.134 1.00 0.00 C ATOM 1290 O SER A 79 -4.825 -4.696 -9.892 1.00 0.00 O ATOM 1291 CB SER A 79 -2.263 -6.710 -10.110 1.00 0.00 C ATOM 1292 OG SER A 79 -3.260 -7.027 -11.066 1.00 0.00 O ATOM 0 H SER A 79 -2.335 -4.731 -7.389 1.00 0.00 H new ATOM 0 HA SER A 79 -2.306 -4.569 -9.932 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.303 -6.583 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.150 -7.538 -9.411 1.00 0.00 H new ATOM 0 HG SER A 79 -3.008 -7.846 -11.542 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.663 -6.097 -8.150 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.088 -6.142 -7.919 1.00 0.00 C ATOM 1300 C PRO A 80 -6.601 -5.236 -6.816 1.00 0.00 C ATOM 1301 O PRO A 80 -7.205 -4.201 -7.102 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.299 -7.611 -7.566 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.006 -8.055 -6.939 1.00 0.00 C ATOM 1304 CD PRO A 80 -3.962 -6.998 -7.238 1.00 0.00 C ATOM 0 HA PRO A 80 -6.641 -5.779 -8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.134 -7.734 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.529 -8.200 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.126 -8.180 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.698 -9.021 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.636 -6.484 -6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.072 -7.428 -7.699 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.386 -5.605 -5.563 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.866 -4.780 -4.478 1.00 0.00 C ATOM 1314 C LEU A 81 -5.768 -3.841 -4.034 1.00 0.00 C ATOM 1315 O LEU A 81 -5.937 -3.044 -3.109 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.364 -5.651 -3.329 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.809 -6.139 -3.474 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.763 -4.960 -3.623 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.934 -7.079 -4.663 1.00 0.00 C ATOM 0 H LEU A 81 -5.893 -6.452 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.710 -4.180 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.710 -6.518 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.277 -5.088 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.080 -6.685 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.784 -5.329 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.694 -4.322 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.495 -4.385 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.966 -7.417 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.643 -6.555 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.282 -7.940 -4.516 1.00 0.00 H new ATOM 1331 N THR A 82 -4.637 -3.939 -4.720 1.00 0.00 N ATOM 1332 CA THR A 82 -3.494 -3.111 -4.435 1.00 0.00 C ATOM 1333 C THR A 82 -3.163 -2.217 -5.617 1.00 0.00 C ATOM 1334 O THR A 82 -2.264 -1.380 -5.534 1.00 0.00 O ATOM 1335 CB THR A 82 -2.299 -3.972 -4.073 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.686 -5.326 -3.901 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.638 -3.514 -2.794 1.00 0.00 C ATOM 0 H THR A 82 -4.496 -4.597 -5.487 1.00 0.00 H new ATOM 0 HA THR A 82 -3.738 -2.473 -3.586 1.00 0.00 H new ATOM 0 HB THR A 82 -1.593 -3.877 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.931 -5.480 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.787 -4.159 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.294 -2.486 -2.910 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.355 -3.566 -1.975 1.00 0.00 H new ATOM 1345 N SER A 83 -3.900 -2.368 -6.716 1.00 0.00 N ATOM 1346 CA SER A 83 -3.662 -1.535 -7.880 1.00 0.00 C ATOM 1347 C SER A 83 -4.467 -0.246 -7.770 1.00 0.00 C ATOM 1348 O SER A 83 -4.880 0.345 -8.768 1.00 0.00 O ATOM 1349 CB SER A 83 -4.017 -2.268 -9.170 1.00 0.00 C ATOM 1350 OG SER A 83 -3.989 -1.391 -10.282 1.00 0.00 O ATOM 0 H SER A 83 -4.653 -3.048 -6.819 1.00 0.00 H new ATOM 0 HA SER A 83 -2.599 -1.295 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.315 -3.086 -9.331 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.008 -2.712 -9.078 1.00 0.00 H new ATOM 0 HG SER A 83 -4.660 -0.687 -10.160 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.665 0.175 -6.534 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.393 1.387 -6.208 1.00 0.00 C ATOM 1358 C ASN A 84 -4.721 1.995 -4.999 1.00 0.00 C ATOM 1359 O ASN A 84 -4.405 3.184 -4.967 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.863 1.081 -5.912 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.738 1.192 -7.145 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.296 1.665 -8.193 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.985 0.756 -7.027 1.00 0.00 N ATOM 0 H ASN A 84 -4.318 -0.324 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.378 2.080 -7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.946 0.075 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.227 1.768 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.620 0.805 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.309 0.372 -6.140 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.444 1.131 -4.027 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.738 1.532 -2.833 1.00 0.00 C ATOM 1372 C LEU A 85 -2.330 1.952 -3.229 1.00 0.00 C ATOM 1373 O LEU A 85 -1.678 2.726 -2.529 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.680 0.372 -1.831 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.108 0.726 -0.452 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.474 -0.337 0.574 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.596 0.894 -0.528 1.00 0.00 C ATOM 0 H LEU A 85 -4.703 0.145 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.258 2.363 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.687 -0.023 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.078 -0.429 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.546 1.672 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.058 -0.065 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.559 -0.409 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.068 -1.299 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.208 1.145 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.143 -0.037 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.354 1.694 -1.227 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.865 1.436 -4.375 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.540 1.764 -4.863 1.00 0.00 C ATOM 1391 C ILE A 86 -0.450 3.246 -5.221 1.00 0.00 C ATOM 1392 O ILE A 86 0.463 3.947 -4.783 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.153 0.886 -6.079 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.830 -0.202 -5.645 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.447 1.717 -7.209 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.272 -1.133 -4.592 1.00 0.00 C ATOM 0 H ILE A 86 -2.391 0.795 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 86 0.170 1.556 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.064 0.423 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.122 -0.786 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.734 0.269 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.705 1.064 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.279 2.459 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.345 2.222 -6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.023 -1.879 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.006 -0.560 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.616 -1.632 -4.981 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.404 3.716 -6.016 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.436 5.113 -6.428 1.00 0.00 C ATOM 1410 C ASN A 87 -1.746 6.017 -5.239 1.00 0.00 C ATOM 1411 O ASN A 87 -1.316 7.169 -5.193 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.478 5.321 -7.528 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.221 4.446 -8.739 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.075 4.212 -9.120 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.293 3.955 -9.351 1.00 0.00 N ATOM 0 H ASN A 87 -2.166 3.149 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.453 5.375 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.470 5.105 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.477 6.368 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.184 3.358 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.226 4.175 -9.001 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.493 5.483 -4.277 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.860 6.239 -3.086 1.00 0.00 C ATOM 1424 C LEU A 88 -1.660 6.419 -2.165 1.00 0.00 C ATOM 1425 O LEU A 88 -1.527 7.446 -1.499 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.994 5.532 -2.339 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.080 6.458 -1.786 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.444 5.789 -1.867 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.762 6.852 -0.351 1.00 0.00 C ATOM 0 H LEU A 88 -2.855 4.530 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.202 7.225 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.459 4.813 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.566 4.964 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.105 7.362 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.204 6.462 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.674 5.556 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.433 4.869 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.544 7.510 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.710 5.957 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.804 7.371 -0.320 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.786 5.419 -2.130 1.00 0.00 N ATOM 1442 CA LEU A 89 0.401 5.479 -1.288 1.00 0.00 C ATOM 1443 C LEU A 89 1.499 6.293 -1.963 1.00 0.00 C ATOM 1444 O LEU A 89 2.303 6.945 -1.298 1.00 0.00 O ATOM 1445 CB LEU A 89 0.904 4.069 -0.975 1.00 0.00 C ATOM 1446 CG LEU A 89 0.642 3.604 0.456 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.906 2.112 0.591 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.502 4.392 1.432 1.00 0.00 C ATOM 0 H LEU A 89 -0.877 4.560 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 89 0.133 5.971 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.432 3.368 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.976 4.029 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.406 3.786 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.714 1.800 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.249 1.564 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.945 1.902 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.305 4.050 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.555 4.239 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.263 5.453 1.353 1.00 0.00 H new ATOM 1460 N ALA A 90 1.521 6.253 -3.290 1.00 0.00 N ATOM 1461 CA ALA A 90 2.515 6.989 -4.060 1.00 0.00 C ATOM 1462 C ALA A 90 2.038 8.406 -4.377 1.00 0.00 C ATOM 1463 O ALA A 90 2.801 9.223 -4.895 1.00 0.00 O ATOM 1464 CB ALA A 90 2.843 6.243 -5.345 1.00 0.00 C ATOM 0 H ALA A 90 0.861 5.718 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 90 3.417 7.068 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.587 6.803 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.239 5.257 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.938 6.134 -5.943 1.00 0.00 H new ATOM 1470 N GLU A 91 0.776 8.695 -4.068 1.00 0.00 N ATOM 1471 CA GLU A 91 0.211 10.015 -4.326 1.00 0.00 C ATOM 1472 C GLU A 91 0.135 10.837 -3.044 1.00 0.00 C ATOM 1473 O GLU A 91 0.650 11.953 -2.978 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.181 9.887 -4.946 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.823 11.223 -5.284 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.710 11.150 -6.511 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -2.173 10.946 -7.621 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.941 11.296 -6.363 1.00 0.00 O ATOM 0 H GLU A 91 0.128 8.034 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 91 0.867 10.530 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.111 9.287 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.829 9.347 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.413 11.564 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.042 11.966 -5.448 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.512 10.278 -2.026 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.657 10.959 -0.745 1.00 0.00 C ATOM 1487 C ASN A 92 0.705 11.327 -0.163 1.00 0.00 C ATOM 1488 O ASN A 92 0.830 12.297 0.586 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.424 10.077 0.242 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.925 10.257 0.132 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -3.639 9.358 -0.313 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.413 11.423 0.539 1.00 0.00 N ATOM 0 H ASN A 92 -0.944 9.355 -2.064 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.219 11.878 -0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.172 9.032 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.106 10.312 1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.416 11.601 0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.785 12.140 0.901 1.00 0.00 H new ATOM 1499 N GLY A 93 1.723 10.546 -0.510 1.00 0.00 N ATOM 1500 CA GLY A 93 3.060 10.807 -0.011 1.00 0.00 C ATOM 1501 C GLY A 93 3.353 10.067 1.279 1.00 0.00 C ATOM 1502 O GLY A 93 4.164 10.515 2.089 1.00 0.00 O ATOM 0 H GLY A 93 1.646 9.738 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.790 10.516 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.181 11.878 0.153 1.00 0.00 H new ATOM 1506 N ARG A 94 2.688 8.932 1.471 1.00 0.00 N ATOM 1507 CA ARG A 94 2.880 8.128 2.671 1.00 0.00 C ATOM 1508 C ARG A 94 3.745 6.907 2.377 1.00 0.00 C ATOM 1509 O ARG A 94 3.482 5.811 2.874 1.00 0.00 O ATOM 1510 CB ARG A 94 1.528 7.688 3.237 1.00 0.00 C ATOM 1511 CG ARG A 94 1.470 7.704 4.756 1.00 0.00 C ATOM 1512 CD ARG A 94 0.871 9.000 5.277 1.00 0.00 C ATOM 1513 NE ARG A 94 1.804 10.119 5.164 1.00 0.00 N ATOM 1514 CZ ARG A 94 2.846 10.299 5.971 1.00 0.00 C ATOM 1515 NH1 ARG A 94 3.093 9.437 6.951 1.00 0.00 N ATOM 1516 NH2 ARG A 94 3.646 11.343 5.799 1.00 0.00 N ATOM 0 H ARG A 94 2.012 8.549 0.810 1.00 0.00 H new ATOM 0 HA ARG A 94 3.393 8.742 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.749 8.342 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.306 6.681 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.876 6.860 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.474 7.577 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.038 9.228 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.583 8.872 6.320 1.00 0.00 H new ATOM 0 HE ARG A 94 1.647 10.802 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.482 8.632 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.894 9.580 7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.462 12.008 5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.445 11.481 6.418 1.00 0.00 H new ATOM 1530 N LEU A 95 4.780 7.102 1.564 1.00 0.00 N ATOM 1531 CA LEU A 95 5.684 6.016 1.205 1.00 0.00 C ATOM 1532 C LEU A 95 6.934 6.036 2.078 1.00 0.00 C ATOM 1533 O LEU A 95 8.004 5.592 1.660 1.00 0.00 O ATOM 1534 CB LEU A 95 6.075 6.116 -0.271 1.00 0.00 C ATOM 1535 CG LEU A 95 5.141 5.387 -1.238 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.432 5.800 -2.673 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.279 3.881 -1.078 1.00 0.00 C ATOM 0 H LEU A 95 5.012 8.001 1.142 1.00 0.00 H new ATOM 0 HA LEU A 95 5.163 5.073 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.113 7.169 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.082 5.717 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 95 4.114 5.666 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.758 5.272 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.283 6.875 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.463 5.550 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.607 3.378 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.307 3.585 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.022 3.598 -0.057 1.00 0.00 H new ATOM 1549 N THR A 96 6.791 6.550 3.295 1.00 0.00 N ATOM 1550 CA THR A 96 7.905 6.623 4.232 1.00 0.00 C ATOM 1551 C THR A 96 7.629 5.755 5.454 1.00 0.00 C ATOM 1552 O THR A 96 8.527 5.094 5.977 1.00 0.00 O ATOM 1553 CB THR A 96 8.146 8.071 4.662 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.135 8.504 5.555 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.180 9.041 3.501 1.00 0.00 C ATOM 0 H THR A 96 5.913 6.923 3.656 1.00 0.00 H new ATOM 0 HA THR A 96 8.800 6.252 3.732 1.00 0.00 H new ATOM 0 HB THR A 96 9.124 8.071 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.351 8.205 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.354 10.050 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.983 8.763 2.818 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.227 9.010 2.973 1.00 0.00 H new ATOM 1563 N ASN A 97 6.377 5.756 5.896 1.00 0.00 N ATOM 1564 CA ASN A 97 5.968 4.964 7.049 1.00 0.00 C ATOM 1565 C ASN A 97 4.806 4.044 6.687 1.00 0.00 C ATOM 1566 O ASN A 97 4.051 3.609 7.557 1.00 0.00 O ATOM 1567 CB ASN A 97 5.567 5.880 8.206 1.00 0.00 C ATOM 1568 CG ASN A 97 6.749 6.635 8.782 1.00 0.00 C ATOM 1569 OD1 ASN A 97 7.085 7.765 8.170 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 7.352 6.209 9.767 1.00 0.00 N flip ATOM 0 H ASN A 97 5.625 6.299 5.471 1.00 0.00 H new ATOM 0 HA ASN A 97 6.814 4.350 7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.818 6.592 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.101 5.285 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.059 5.336 10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 97 8.144 6.729 10.144 1.00 0.00 H new ATOM 1577 N THR A 98 4.664 3.752 5.395 1.00 0.00 N ATOM 1578 CA THR A 98 3.590 2.886 4.919 1.00 0.00 C ATOM 1579 C THR A 98 3.560 1.542 5.658 1.00 0.00 C ATOM 1580 O THR A 98 2.486 1.077 6.039 1.00 0.00 O ATOM 1581 CB THR A 98 3.693 2.659 3.404 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.877 1.572 3.007 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.096 2.377 2.912 1.00 0.00 C ATOM 0 H THR A 98 5.279 4.103 4.661 1.00 0.00 H new ATOM 0 HA THR A 98 2.653 3.401 5.133 1.00 0.00 H new ATOM 0 HB THR A 98 3.362 3.598 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.431 0.771 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.080 2.229 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.743 3.221 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.477 1.478 3.396 1.00 0.00 H new ATOM 1591 N PRO A 99 4.722 0.886 5.880 1.00 0.00 N ATOM 1592 CA PRO A 99 4.770 -0.403 6.578 1.00 0.00 C ATOM 1593 C PRO A 99 3.953 -0.396 7.866 1.00 0.00 C ATOM 1594 O PRO A 99 3.447 -1.433 8.296 1.00 0.00 O ATOM 1595 CB PRO A 99 6.263 -0.607 6.887 1.00 0.00 C ATOM 1596 CG PRO A 99 6.932 0.679 6.525 1.00 0.00 C ATOM 1597 CD PRO A 99 6.068 1.319 5.481 1.00 0.00 C ATOM 0 HA PRO A 99 4.342 -1.202 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.416 -0.845 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.672 -1.437 6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.032 1.325 7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.937 0.501 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.163 2.405 5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.324 0.979 4.477 1.00 0.00 H new ATOM 1605 N ALA A 100 3.823 0.778 8.474 1.00 0.00 N ATOM 1606 CA ALA A 100 3.062 0.915 9.710 1.00 0.00 C ATOM 1607 C ALA A 100 1.567 0.794 9.442 1.00 0.00 C ATOM 1608 O ALA A 100 0.810 0.315 10.288 1.00 0.00 O ATOM 1609 CB ALA A 100 3.376 2.244 10.380 1.00 0.00 C ATOM 0 H ALA A 100 4.234 1.647 8.132 1.00 0.00 H new ATOM 0 HA ALA A 100 3.353 0.108 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.800 2.332 11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.440 2.293 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.113 3.061 9.708 1.00 0.00 H new ATOM 1615 N VAL A 101 1.148 1.227 8.258 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.257 1.164 7.874 1.00 0.00 C ATOM 1617 C VAL A 101 -0.695 -0.278 7.636 1.00 0.00 C ATOM 1618 O VAL A 101 -1.876 -0.604 7.749 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.529 1.987 6.600 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.021 2.048 6.310 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.054 3.388 6.730 1.00 0.00 C ATOM 0 H VAL A 101 1.762 1.626 7.547 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.831 1.586 8.699 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.039 1.492 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.192 2.633 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.405 1.038 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.536 2.516 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.149 3.952 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.402 3.894 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.131 3.321 6.883 1.00 0.00 H new ATOM 1631 N ILE A 102 0.266 -1.139 7.309 1.00 0.00 N ATOM 1632 CA ILE A 102 -0.022 -2.546 7.058 1.00 0.00 C ATOM 1633 C ILE A 102 -0.414 -3.262 8.348 1.00 0.00 C ATOM 1634 O ILE A 102 -1.239 -4.175 8.335 1.00 0.00 O ATOM 1635 CB ILE A 102 1.188 -3.269 6.438 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.732 -2.483 5.244 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.803 -4.680 6.017 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.062 -2.998 4.740 1.00 0.00 C ATOM 0 H ILE A 102 1.249 -0.886 7.212 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.854 -2.576 6.354 1.00 0.00 H new ATOM 0 HB ILE A 102 1.974 -3.334 7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.005 -2.521 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.840 -1.436 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.669 -5.178 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.463 -5.240 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.001 -4.634 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.388 -2.395 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.802 -2.935 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.955 -4.036 4.426 1.00 0.00 H new ATOM 1650 N SER A 103 0.183 -2.840 9.459 1.00 0.00 N ATOM 1651 CA SER A 103 -0.104 -3.443 10.757 1.00 0.00 C ATOM 1652 C SER A 103 -1.589 -3.350 11.080 1.00 0.00 C ATOM 1653 O SER A 103 -2.218 -4.343 11.445 1.00 0.00 O ATOM 1654 CB SER A 103 0.714 -2.760 11.854 1.00 0.00 C ATOM 1655 OG SER A 103 1.021 -3.666 12.901 1.00 0.00 O ATOM 0 H SER A 103 0.867 -2.084 9.487 1.00 0.00 H new ATOM 0 HA SER A 103 0.175 -4.496 10.711 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.636 -2.363 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.156 -1.913 12.254 1.00 0.00 H new ATOM 0 HG SER A 103 1.546 -3.205 13.589 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.147 -2.153 10.934 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.565 -1.938 11.200 1.00 0.00 C ATOM 1663 C ALA A 104 -4.417 -2.901 10.380 1.00 0.00 C ATOM 1664 O ALA A 104 -5.527 -3.256 10.773 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.948 -0.497 10.899 1.00 0.00 C ATOM 0 H ALA A 104 -1.641 -1.320 10.634 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.751 -2.132 12.256 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.009 -0.352 11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.363 0.174 11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.747 -0.278 9.850 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.882 -3.322 9.239 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.579 -4.249 8.357 1.00 0.00 C ATOM 1673 C PHE A 105 -4.879 -5.559 9.071 1.00 0.00 C ATOM 1674 O PHE A 105 -6.002 -6.060 9.030 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.731 -4.530 7.117 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.526 -4.643 5.848 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.829 -3.512 5.109 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.966 -5.878 5.387 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.547 -3.610 3.940 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.683 -5.976 4.217 1.00 0.00 C ATOM 1681 CZ PHE A 105 -5.972 -4.843 3.494 1.00 0.00 C ATOM 0 H PHE A 105 -2.963 -3.034 8.903 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.521 -3.789 8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.996 -3.733 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.177 -5.456 7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.498 -2.543 5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.743 -6.770 5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.778 -2.721 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.018 -6.941 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.533 -4.919 2.574 1.00 0.00 H new ATOM 1691 N SER A 106 -3.857 -6.119 9.710 1.00 0.00 N ATOM 1692 CA SER A 106 -4.006 -7.384 10.416 1.00 0.00 C ATOM 1693 C SER A 106 -4.943 -7.258 11.613 1.00 0.00 C ATOM 1694 O SER A 106 -5.439 -8.261 12.126 1.00 0.00 O ATOM 1695 CB SER A 106 -2.643 -7.908 10.868 1.00 0.00 C ATOM 1696 OG SER A 106 -2.782 -9.060 11.681 1.00 0.00 O ATOM 0 H SER A 106 -2.920 -5.718 9.753 1.00 0.00 H new ATOM 0 HA SER A 106 -4.450 -8.095 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.034 -8.146 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.116 -7.130 11.421 1.00 0.00 H new ATOM 0 HG SER A 106 -3.659 -9.048 12.118 1.00 0.00 H new ATOM 1702 N THR A 107 -5.192 -6.031 12.054 1.00 0.00 N ATOM 1703 CA THR A 107 -6.083 -5.806 13.182 1.00 0.00 C ATOM 1704 C THR A 107 -7.465 -5.426 12.684 1.00 0.00 C ATOM 1705 O THR A 107 -8.477 -5.814 13.269 1.00 0.00 O ATOM 1706 CB THR A 107 -5.529 -4.717 14.103 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.190 -5.001 14.465 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.326 -4.552 15.379 1.00 0.00 C ATOM 0 H THR A 107 -4.792 -5.184 11.651 1.00 0.00 H new ATOM 0 HA THR A 107 -6.156 -6.730 13.756 1.00 0.00 H new ATOM 0 HB THR A 107 -5.595 -3.792 13.531 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.853 -4.293 15.052 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.881 -3.765 15.987 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.354 -4.284 15.134 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.319 -5.489 15.936 1.00 0.00 H new ATOM 1716 N MET A 108 -7.505 -4.690 11.582 1.00 0.00 N ATOM 1717 CA MET A 108 -8.766 -4.294 10.991 1.00 0.00 C ATOM 1718 C MET A 108 -9.346 -5.457 10.203 1.00 0.00 C ATOM 1719 O MET A 108 -10.558 -5.549 10.013 1.00 0.00 O ATOM 1720 CB MET A 108 -8.578 -3.078 10.091 1.00 0.00 C ATOM 1721 CG MET A 108 -8.184 -1.821 10.849 1.00 0.00 C ATOM 1722 SD MET A 108 -9.402 -1.349 12.093 1.00 0.00 S ATOM 1723 CE MET A 108 -8.769 0.248 12.599 1.00 0.00 C ATOM 0 H MET A 108 -6.679 -4.358 11.084 1.00 0.00 H new ATOM 0 HA MET A 108 -9.461 -4.021 11.785 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.812 -3.300 9.348 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.504 -2.891 9.548 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.220 -1.980 11.332 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.055 -1.001 10.143 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.417 0.669 13.367 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.762 0.130 12.998 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.742 0.918 11.739 1.00 0.00 H new ATOM 1733 N MET A 109 -8.471 -6.364 9.762 1.00 0.00 N ATOM 1734 CA MET A 109 -8.911 -7.531 9.019 1.00 0.00 C ATOM 1735 C MET A 109 -9.833 -8.375 9.889 1.00 0.00 C ATOM 1736 O MET A 109 -10.812 -8.944 9.406 1.00 0.00 O ATOM 1737 CB MET A 109 -7.708 -8.366 8.573 1.00 0.00 C ATOM 1738 CG MET A 109 -6.915 -8.956 9.725 1.00 0.00 C ATOM 1739 SD MET A 109 -7.560 -10.551 10.268 1.00 0.00 S ATOM 1740 CE MET A 109 -6.038 -11.448 10.563 1.00 0.00 C ATOM 0 H MET A 109 -7.463 -6.308 9.909 1.00 0.00 H new ATOM 0 HA MET A 109 -9.452 -7.200 8.133 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.056 -9.175 7.931 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.048 -7.743 7.970 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.874 -9.073 9.422 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.926 -8.259 10.563 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.270 -12.456 10.905 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.463 -11.502 9.639 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.453 -10.932 11.325 1.00 0.00 H new ATOM 1750 N SER A 110 -9.515 -8.444 11.183 1.00 0.00 N ATOM 1751 CA SER A 110 -10.323 -9.212 12.122 1.00 0.00 C ATOM 1752 C SER A 110 -11.768 -8.719 12.118 1.00 0.00 C ATOM 1753 O SER A 110 -12.683 -9.449 12.498 1.00 0.00 O ATOM 1754 CB SER A 110 -9.739 -9.110 13.533 1.00 0.00 C ATOM 1755 OG SER A 110 -8.830 -10.167 13.787 1.00 0.00 O ATOM 0 H SER A 110 -8.708 -7.979 11.599 1.00 0.00 H new ATOM 0 HA SER A 110 -10.311 -10.256 11.809 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.231 -8.153 13.651 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.545 -9.135 14.266 1.00 0.00 H new ATOM 0 HG SER A 110 -8.470 -10.078 14.694 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.961 -7.476 11.686 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.289 -6.882 11.629 1.00 0.00 C ATOM 1763 C VAL A 111 -14.075 -7.407 10.429 1.00 0.00 C ATOM 1764 O VAL A 111 -15.260 -7.721 10.544 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.208 -5.343 11.561 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.595 -4.729 11.435 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.488 -4.796 12.785 1.00 0.00 C ATOM 0 H VAL A 111 -11.211 -6.861 11.370 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.810 -7.167 12.543 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.639 -5.070 10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.509 -3.643 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.073 -5.094 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.197 -5.009 12.299 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.439 -3.709 12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.031 -5.084 13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.478 -5.203 12.825 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.412 -7.506 9.279 1.00 0.00 N ATOM 1778 CA HIS A 112 -14.063 -7.999 8.070 1.00 0.00 C ATOM 1779 C HIS A 112 -14.339 -9.496 8.181 1.00 0.00 C ATOM 1780 O HIS A 112 -15.317 -9.999 7.629 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.204 -7.704 6.832 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.027 -8.616 6.663 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.956 -9.958 6.506 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.729 -8.166 6.641 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -10.631 -10.289 6.398 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.912 -9.191 6.480 1.00 0.00 N flip ATOM 0 H HIS A 112 -12.431 -7.253 9.160 1.00 0.00 H new ATOM 0 HA HIS A 112 -15.015 -7.479 7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.832 -7.773 5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.846 -6.676 6.890 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -12.744 -10.605 6.474 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.424 -7.135 6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.241 -11.288 6.267 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.469 -10.197 8.899 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.616 -11.635 9.087 1.00 0.00 C ATOM 1797 C ARG A 113 -14.800 -11.945 9.997 1.00 0.00 C ATOM 1798 O ARG A 113 -15.451 -12.979 9.855 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.335 -12.226 9.679 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.119 -13.688 9.324 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.641 -14.029 9.241 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.399 -15.235 8.453 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.608 -15.316 7.140 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -11.060 -14.267 6.466 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.363 -16.452 6.500 1.00 0.00 N ATOM 0 H ARG A 113 -12.654 -9.793 9.361 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.800 -12.088 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.481 -11.646 9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.366 -12.125 10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.598 -14.320 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.598 -13.906 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.101 -13.192 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.244 -14.168 10.247 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.050 -16.063 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.250 -13.391 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.218 -14.336 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.015 -17.262 7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.523 -16.516 5.495 1.00 0.00 H new ATOM 1819 N GLY A 114 -15.075 -11.040 10.932 1.00 0.00 N ATOM 1820 CA GLY A 114 -16.180 -11.235 11.851 1.00 0.00 C ATOM 1821 C GLY A 114 -17.529 -11.090 11.175 1.00 0.00 C ATOM 1822 O GLY A 114 -18.515 -11.689 11.608 1.00 0.00 O ATOM 0 H GLY A 114 -14.552 -10.175 11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.106 -12.226 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.105 -10.512 12.663 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.575 -10.296 10.112 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.813 -10.074 9.375 1.00 0.00 C ATOM 1828 C GLU A 115 -18.883 -10.974 8.145 1.00 0.00 C ATOM 1829 O GLU A 115 -19.368 -10.565 7.090 1.00 0.00 O ATOM 1830 CB GLU A 115 -18.927 -8.608 8.955 1.00 0.00 C ATOM 1831 CG GLU A 115 -17.814 -8.153 8.026 1.00 0.00 C ATOM 1832 CD GLU A 115 -18.309 -7.227 6.932 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -19.068 -7.696 6.058 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -17.938 -6.035 6.950 1.00 0.00 O ATOM 0 H GLU A 115 -16.768 -9.795 9.741 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.646 -10.321 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.887 -8.454 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.923 -7.982 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.046 -7.644 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -17.344 -9.026 7.573 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.397 -12.203 8.289 1.00 0.00 N ATOM 1842 CA VAL A 116 -18.405 -13.161 7.190 1.00 0.00 C ATOM 1843 C VAL A 116 -18.479 -14.594 7.710 1.00 0.00 C ATOM 1844 O VAL A 116 -18.016 -14.887 8.812 1.00 0.00 O ATOM 1845 CB VAL A 116 -17.152 -13.012 6.305 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -17.185 -11.693 5.549 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -15.889 -13.122 7.146 1.00 0.00 C ATOM 0 H VAL A 116 -17.993 -12.558 9.156 1.00 0.00 H new ATOM 0 HA VAL A 116 -19.291 -12.948 6.591 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.147 -13.821 5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -16.292 -11.606 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -18.071 -11.659 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.215 -10.867 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -15.014 -13.014 6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -15.885 -12.335 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -15.862 -14.095 7.636 1.00 0.00 H new ATOM 1857 N PRO A 117 -19.064 -15.509 6.918 1.00 0.00 N ATOM 1858 CA PRO A 117 -19.196 -16.918 7.304 1.00 0.00 C ATOM 1859 C PRO A 117 -17.867 -17.527 7.736 1.00 0.00 C ATOM 1860 O PRO A 117 -17.774 -18.158 8.788 1.00 0.00 O ATOM 1861 CB PRO A 117 -19.702 -17.592 6.027 1.00 0.00 C ATOM 1862 CG PRO A 117 -20.393 -16.508 5.275 1.00 0.00 C ATOM 1863 CD PRO A 117 -19.641 -15.244 5.587 1.00 0.00 C ATOM 0 HA PRO A 117 -19.859 -17.045 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -18.879 -18.013 5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -20.383 -18.412 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -20.388 -16.711 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -21.437 -16.426 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -18.867 -15.044 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -20.301 -14.377 5.601 1.00 0.00 H new ATOM 1871 N CYS A 118 -16.838 -17.334 6.916 1.00 0.00 N ATOM 1872 CA CYS A 118 -15.513 -17.864 7.215 1.00 0.00 C ATOM 1873 C CYS A 118 -15.547 -19.386 7.317 1.00 0.00 C ATOM 1874 O CYS A 118 -15.714 -19.941 8.404 1.00 0.00 O ATOM 1875 CB CYS A 118 -14.981 -17.265 8.517 1.00 0.00 C ATOM 1876 SG CYS A 118 -13.187 -17.048 8.552 1.00 0.00 S ATOM 0 H CYS A 118 -16.897 -16.815 6.040 1.00 0.00 H new ATOM 0 HA CYS A 118 -14.846 -17.587 6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -15.456 -16.298 8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -15.274 -17.908 9.347 1.00 0.00 H new ATOM 0 HG CYS A 118 -12.834 -16.534 9.693 1.00 0.00 H new ATOM 1882 N THR A 119 -15.387 -20.055 6.181 1.00 0.00 N ATOM 1883 CA THR A 119 -15.400 -21.512 6.143 1.00 0.00 C ATOM 1884 C THR A 119 -13.979 -22.069 6.149 1.00 0.00 C ATOM 1885 O THR A 119 -13.063 -21.466 5.591 1.00 0.00 O ATOM 1886 CB THR A 119 -16.147 -22.006 4.903 1.00 0.00 C ATOM 1887 OG1 THR A 119 -17.131 -21.068 4.505 1.00 0.00 O ATOM 1888 CG2 THR A 119 -16.837 -23.337 5.110 1.00 0.00 C ATOM 0 H THR A 119 -15.247 -19.611 5.273 1.00 0.00 H new ATOM 0 HA THR A 119 -15.916 -21.868 7.035 1.00 0.00 H new ATOM 0 HB THR A 119 -15.384 -22.128 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 119 -17.597 -21.400 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 119 -17.347 -23.629 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 119 -16.097 -24.094 5.370 1.00 0.00 H new ATOM 0 HG23 THR A 119 -17.564 -23.248 5.917 1.00 0.00 H new ATOM 1896 N VAL A 120 -13.804 -23.223 6.786 1.00 0.00 N ATOM 1897 CA VAL A 120 -12.495 -23.860 6.866 1.00 0.00 C ATOM 1898 C VAL A 120 -11.961 -24.191 5.475 1.00 0.00 C ATOM 1899 O VAL A 120 -10.734 -24.077 5.271 1.00 0.00 O ATOM 1900 CB VAL A 120 -12.550 -25.150 7.709 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -13.480 -26.171 7.072 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -11.154 -25.728 7.896 1.00 0.00 C ATOM 1903 OXT VAL A 120 -12.774 -24.562 4.603 1.00 0.00 O ATOM 0 H VAL A 120 -14.552 -23.735 7.254 1.00 0.00 H new ATOM 0 HA VAL A 120 -11.823 -23.150 7.349 1.00 0.00 H new ATOM 0 HB VAL A 120 -12.948 -24.900 8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -13.504 -27.073 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -14.485 -25.754 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -13.119 -26.419 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.214 -26.638 8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.723 -25.961 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.524 -25.000 8.406 1.00 0.00 H new TER 1913 VAL A 120