USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1024 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 8 LYS NZ :NH3+ -154:sc= -0.04 (180deg=0) USER MOD Set 1.2: A 35 THR OG1 : rot -178:sc= 0 USER MOD Set 1.3: A 50 ASN : amide:sc= -3.93! C(o=-4!,f=-5.5!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0 K(o=-0.004,f=-3.6!) USER MOD Set 2.2: A 17 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.23 (180deg=-0.68) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.055 (180deg=-0.691) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= 0.0321 (180deg=-0.347) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.3!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 32 LYS NZ :NH3+ -128:sc= -1.61 (180deg=-5.33!) USER MOD Single : A 33 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.0024) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 44 MET CE :methyl 141:sc= -0.303 (180deg=-0.611) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 163:sc= -7.69! (180deg=-8.97!) USER MOD Single : A 49 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.1!) USER MOD Single : A 52 HIS : no HE2:sc= -16.6! C(o=-17!,f=-24!) USER MOD Single : A 53 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= -0.38! USER MOD Single : A 60 ASN : amide:sc= 0.667 K(o=0.67,f=-0.94) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.22) USER MOD Single : A 76 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.9!) USER MOD Single : A 79 THR OG1 : rot 150:sc= -1.94! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.62! USER MOD Single : A 90 GLN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.0183 (180deg=-0.239) USER MOD Single : A 105 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.79) USER MOD Single : A 106 ASN : amide:sc= -3.78! C(o=-3.8!,f=-7.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 116 LYS NZ :NH3+ 152:sc= -0.169 (180deg=-1.03) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.444 -16.906 -12.537 1.00 0.00 N ATOM 2 CA MET A 1 -2.238 -15.587 -13.111 1.00 0.00 C ATOM 3 C MET A 1 -2.390 -15.621 -14.633 1.00 0.00 C ATOM 4 O MET A 1 -1.397 -15.622 -15.360 1.00 0.00 O ATOM 5 CB MET A 1 -0.839 -15.086 -12.748 1.00 0.00 C ATOM 6 CG MET A 1 0.239 -16.027 -13.291 1.00 0.00 C ATOM 7 SD MET A 1 1.246 -15.176 -14.493 1.00 0.00 S ATOM 8 CE MET A 1 1.436 -16.467 -15.710 1.00 0.00 C ATOM 0 H1 MET A 1 -1.839 -17.018 -11.698 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.441 -17.013 -12.262 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.199 -17.633 -13.240 1.00 0.00 H new ATOM 0 HA MET A 1 -2.992 -14.913 -12.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.691 -14.085 -13.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.747 -15.008 -11.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.862 -16.389 -12.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.226 -16.901 -13.748 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.434 -16.413 -16.145 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.299 -17.438 -15.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.691 -16.339 -16.495 1.00 0.00 H new ATOM 18 N SER A 2 -3.640 -15.649 -15.071 1.00 0.00 N ATOM 19 CA SER A 2 -3.934 -15.684 -16.493 1.00 0.00 C ATOM 20 C SER A 2 -3.868 -14.271 -17.076 1.00 0.00 C ATOM 21 O SER A 2 -3.443 -14.085 -18.216 1.00 0.00 O ATOM 22 CB SER A 2 -5.309 -16.303 -16.756 1.00 0.00 C ATOM 23 OG SER A 2 -6.364 -15.500 -16.232 1.00 0.00 O ATOM 0 H SER A 2 -4.461 -15.648 -14.466 1.00 0.00 H new ATOM 0 HA SER A 2 -3.185 -16.307 -16.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.450 -16.432 -17.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.352 -17.296 -16.308 1.00 0.00 H new ATOM 0 HG SER A 2 -7.225 -15.927 -16.421 1.00 0.00 H new ATOM 29 N LEU A 3 -4.293 -13.312 -16.267 1.00 0.00 N ATOM 30 CA LEU A 3 -4.287 -11.921 -16.688 1.00 0.00 C ATOM 31 C LEU A 3 -3.860 -11.038 -15.514 1.00 0.00 C ATOM 32 O LEU A 3 -3.339 -11.536 -14.516 1.00 0.00 O ATOM 33 CB LEU A 3 -5.643 -11.536 -17.287 1.00 0.00 C ATOM 34 CG LEU A 3 -6.797 -11.391 -16.292 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.174 -9.921 -16.100 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.996 -12.240 -16.718 1.00 0.00 C ATOM 0 H LEU A 3 -4.644 -13.470 -15.322 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.558 -11.767 -17.484 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.528 -10.592 -17.820 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.919 -12.288 -18.026 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.464 -11.766 -15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.996 -9.846 -15.388 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.313 -9.371 -15.719 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.482 -9.496 -17.056 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.802 -12.120 -15.995 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.339 -11.918 -17.701 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.702 -13.289 -16.762 1.00 0.00 H new ATOM 48 N ALA A 4 -4.095 -9.744 -15.672 1.00 0.00 N ATOM 49 CA ALA A 4 -3.741 -8.788 -14.636 1.00 0.00 C ATOM 50 C ALA A 4 -4.370 -9.221 -13.312 1.00 0.00 C ATOM 51 O ALA A 4 -3.917 -8.814 -12.243 1.00 0.00 O ATOM 52 CB ALA A 4 -4.185 -7.386 -15.062 1.00 0.00 C ATOM 0 H ALA A 4 -4.526 -9.335 -16.501 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.661 -8.759 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.920 -6.669 -14.285 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.687 -7.114 -15.993 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.265 -7.376 -15.212 1.00 0.00 H new ATOM 58 N GLU A 5 -5.404 -10.042 -13.424 1.00 0.00 N ATOM 59 CA GLU A 5 -6.100 -10.535 -12.247 1.00 0.00 C ATOM 60 C GLU A 5 -5.108 -10.787 -11.110 1.00 0.00 C ATOM 61 O GLU A 5 -5.330 -10.356 -9.980 1.00 0.00 O ATOM 62 CB GLU A 5 -6.896 -11.801 -12.572 1.00 0.00 C ATOM 63 CG GLU A 5 -7.947 -12.078 -11.496 1.00 0.00 C ATOM 64 CD GLU A 5 -9.067 -12.970 -12.040 1.00 0.00 C ATOM 65 OE1 GLU A 5 -8.767 -14.152 -12.314 1.00 0.00 O ATOM 66 OE2 GLU A 5 -10.196 -12.448 -12.168 1.00 0.00 O ATOM 0 H GLU A 5 -5.777 -10.378 -14.312 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.808 -9.773 -11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.383 -11.690 -13.541 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.218 -12.651 -12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.477 -12.560 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.367 -11.137 -11.141 1.00 0.00 H new ATOM 73 N LYS A 6 -4.034 -11.486 -11.449 1.00 0.00 N ATOM 74 CA LYS A 6 -3.007 -11.800 -10.471 1.00 0.00 C ATOM 75 C LYS A 6 -2.770 -10.582 -9.577 1.00 0.00 C ATOM 76 O LYS A 6 -2.581 -10.721 -8.368 1.00 0.00 O ATOM 77 CB LYS A 6 -1.741 -12.308 -11.167 1.00 0.00 C ATOM 78 CG LYS A 6 -0.575 -12.405 -10.181 1.00 0.00 C ATOM 79 CD LYS A 6 0.701 -12.870 -10.885 1.00 0.00 C ATOM 80 CE LYS A 6 1.282 -14.111 -10.205 1.00 0.00 C ATOM 81 NZ LYS A 6 2.418 -14.647 -10.987 1.00 0.00 N ATOM 0 H LYS A 6 -3.853 -11.843 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.335 -12.613 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.932 -13.287 -11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.476 -11.637 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.405 -11.434 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.827 -13.101 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.484 -13.092 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.438 -12.067 -10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.613 -13.859 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.510 -14.874 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.637 -15.612 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.166 -14.667 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.251 -14.039 -10.850 1.00 0.00 H new ATOM 95 N ILE A 7 -2.787 -9.415 -10.204 1.00 0.00 N ATOM 96 CA ILE A 7 -2.577 -8.173 -9.479 1.00 0.00 C ATOM 97 C ILE A 7 -3.772 -7.915 -8.560 1.00 0.00 C ATOM 98 O ILE A 7 -4.908 -8.228 -8.910 1.00 0.00 O ATOM 99 CB ILE A 7 -2.290 -7.028 -10.452 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.061 -7.331 -11.311 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.155 -5.697 -9.708 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.470 -7.896 -12.673 1.00 0.00 C ATOM 0 H ILE A 7 -2.943 -9.303 -11.206 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.696 -8.248 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.140 -6.935 -11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.477 -6.421 -11.451 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.419 -8.045 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.951 -4.900 -10.423 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.083 -5.481 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.335 -5.761 -8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.578 -8.103 -13.264 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.032 -8.819 -12.530 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.092 -7.170 -13.196 1.00 0.00 H new ATOM 114 N LYS A 8 -3.474 -7.347 -7.401 1.00 0.00 N ATOM 115 CA LYS A 8 -4.510 -7.043 -6.428 1.00 0.00 C ATOM 116 C LYS A 8 -4.092 -5.820 -5.609 1.00 0.00 C ATOM 117 O LYS A 8 -2.917 -5.659 -5.281 1.00 0.00 O ATOM 118 CB LYS A 8 -4.823 -8.275 -5.577 1.00 0.00 C ATOM 119 CG LYS A 8 -6.259 -8.751 -5.809 1.00 0.00 C ATOM 120 CD LYS A 8 -7.261 -7.838 -5.098 1.00 0.00 C ATOM 121 CE LYS A 8 -7.399 -8.219 -3.623 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.771 -8.695 -3.338 1.00 0.00 N ATOM 0 H LYS A 8 -2.530 -7.089 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.442 -6.786 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.126 -9.077 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.680 -8.039 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.472 -8.768 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.371 -9.772 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.936 -6.801 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.232 -7.907 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.678 -8.998 -3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.169 -7.358 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.993 -8.533 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.449 -8.175 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.836 -9.712 -3.547 1.00 0.00 H new ATOM 136 N VAL A 9 -5.077 -4.988 -5.303 1.00 0.00 N ATOM 137 CA VAL A 9 -4.826 -3.784 -4.528 1.00 0.00 C ATOM 138 C VAL A 9 -5.740 -3.773 -3.301 1.00 0.00 C ATOM 139 O VAL A 9 -6.921 -4.101 -3.399 1.00 0.00 O ATOM 140 CB VAL A 9 -4.998 -2.547 -5.413 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.642 -2.018 -5.884 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.911 -2.848 -6.604 1.00 0.00 C ATOM 0 H VAL A 9 -6.050 -5.124 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.797 -3.769 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.472 -1.770 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.792 -1.139 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.037 -1.747 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.130 -2.790 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.017 -1.953 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.476 -3.648 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.891 -3.158 -6.242 1.00 0.00 H new ATOM 152 N LEU A 10 -5.158 -3.392 -2.174 1.00 0.00 N ATOM 153 CA LEU A 10 -5.905 -3.333 -0.928 1.00 0.00 C ATOM 154 C LEU A 10 -5.908 -1.895 -0.408 1.00 0.00 C ATOM 155 O LEU A 10 -4.850 -1.329 -0.130 1.00 0.00 O ATOM 156 CB LEU A 10 -5.355 -4.350 0.074 1.00 0.00 C ATOM 157 CG LEU A 10 -5.291 -3.887 1.531 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.071 -2.994 1.770 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.593 -3.202 1.947 1.00 0.00 C ATOM 0 H LEU A 10 -4.178 -3.121 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.945 -3.614 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.971 -5.248 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.351 -4.634 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.175 -4.767 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.050 -2.679 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.162 -3.550 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.131 -2.116 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.520 -2.883 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.766 -2.333 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.422 -3.901 1.839 1.00 0.00 H new ATOM 171 N ILE A 11 -7.106 -1.344 -0.290 1.00 0.00 N ATOM 172 CA ILE A 11 -7.261 0.018 0.193 1.00 0.00 C ATOM 173 C ILE A 11 -7.986 -0.002 1.540 1.00 0.00 C ATOM 174 O ILE A 11 -9.213 0.071 1.589 1.00 0.00 O ATOM 175 CB ILE A 11 -7.947 0.886 -0.863 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.235 0.226 -1.362 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.990 1.216 -2.010 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.939 -0.775 -2.480 1.00 0.00 C ATOM 0 H ILE A 11 -7.980 -1.816 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.286 0.475 0.363 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.228 1.831 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.731 -0.282 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.922 0.990 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.504 1.834 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.128 1.757 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.655 0.292 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.870 -1.230 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.465 -0.259 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.271 -1.551 -2.106 1.00 0.00 H new ATOM 190 N VAL A 12 -7.197 -0.102 2.599 1.00 0.00 N ATOM 191 CA VAL A 12 -7.749 -0.133 3.943 1.00 0.00 C ATOM 192 C VAL A 12 -7.098 0.968 4.783 1.00 0.00 C ATOM 193 O VAL A 12 -5.886 1.166 4.720 1.00 0.00 O ATOM 194 CB VAL A 12 -7.576 -1.528 4.549 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.138 -1.746 5.022 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.570 -1.758 5.689 1.00 0.00 C ATOM 0 H VAL A 12 -6.180 -0.163 2.554 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.820 0.066 3.920 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.786 -2.260 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.043 -2.745 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.458 -1.646 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.887 -1.003 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.426 -2.756 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.406 -1.015 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.587 -1.666 5.309 1.00 0.00 H new ATOM 206 N ASP A 13 -7.932 1.654 5.549 1.00 0.00 N ATOM 207 CA ASP A 13 -7.452 2.730 6.401 1.00 0.00 C ATOM 208 C ASP A 13 -8.295 2.779 7.676 1.00 0.00 C ATOM 209 O ASP A 13 -9.307 2.089 7.783 1.00 0.00 O ATOM 210 CB ASP A 13 -7.576 4.085 5.700 1.00 0.00 C ATOM 211 CG ASP A 13 -6.995 4.136 4.285 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.299 3.200 3.513 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.262 5.109 4.007 1.00 0.00 O ATOM 0 H ASP A 13 -8.937 1.487 5.598 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.404 2.537 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.630 4.358 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.077 4.839 6.309 1.00 0.00 H new ATOM 218 N ASP A 14 -7.845 3.602 8.614 1.00 0.00 N ATOM 219 CA ASP A 14 -8.545 3.750 9.878 1.00 0.00 C ATOM 220 C ASP A 14 -9.766 4.649 9.678 1.00 0.00 C ATOM 221 O ASP A 14 -10.644 4.710 10.537 1.00 0.00 O ATOM 222 CB ASP A 14 -7.647 4.400 10.932 1.00 0.00 C ATOM 223 CG ASP A 14 -7.855 3.894 12.360 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.337 2.795 12.654 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.526 4.618 13.127 1.00 0.00 O ATOM 0 H ASP A 14 -7.004 4.172 8.523 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.840 2.757 10.218 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.606 4.235 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.815 5.477 10.916 1.00 0.00 H new ATOM 230 N GLN A 15 -9.783 5.325 8.538 1.00 0.00 N ATOM 231 CA GLN A 15 -10.883 6.218 8.214 1.00 0.00 C ATOM 232 C GLN A 15 -11.139 6.218 6.705 1.00 0.00 C ATOM 233 O GLN A 15 -10.201 6.276 5.912 1.00 0.00 O ATOM 234 CB GLN A 15 -10.606 7.634 8.722 1.00 0.00 C ATOM 235 CG GLN A 15 -11.875 8.266 9.298 1.00 0.00 C ATOM 236 CD GLN A 15 -11.537 9.485 10.159 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.156 10.537 9.670 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.698 9.288 11.465 1.00 0.00 N ATOM 0 H GLN A 15 -9.053 5.272 7.828 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.780 5.856 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.830 7.605 9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.226 8.249 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.539 8.562 8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.412 7.531 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.020 8.383 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.499 10.042 12.123 1.00 0.00 H new ATOM 247 N VAL A 16 -12.416 6.151 6.354 1.00 0.00 N ATOM 248 CA VAL A 16 -12.807 6.142 4.955 1.00 0.00 C ATOM 249 C VAL A 16 -12.109 7.292 4.227 1.00 0.00 C ATOM 250 O VAL A 16 -11.471 7.082 3.197 1.00 0.00 O ATOM 251 CB VAL A 16 -14.332 6.199 4.839 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.934 4.793 4.822 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.937 7.041 5.965 1.00 0.00 C ATOM 0 H VAL A 16 -13.192 6.103 7.014 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.491 5.215 4.476 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.578 6.680 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.019 4.863 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.540 4.239 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.673 4.274 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.022 7.065 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.676 6.602 6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.545 8.056 5.911 1.00 0.00 H new ATOM 263 N THR A 17 -12.253 8.482 4.791 1.00 0.00 N ATOM 264 CA THR A 17 -11.643 9.665 4.208 1.00 0.00 C ATOM 265 C THR A 17 -10.248 9.337 3.672 1.00 0.00 C ATOM 266 O THR A 17 -9.949 9.601 2.508 1.00 0.00 O ATOM 267 CB THR A 17 -11.643 10.768 5.269 1.00 0.00 C ATOM 268 OG1 THR A 17 -11.208 10.108 6.455 1.00 0.00 O ATOM 269 CG2 THR A 17 -13.053 11.255 5.608 1.00 0.00 C ATOM 0 H THR A 17 -12.783 8.653 5.646 1.00 0.00 H new ATOM 0 HA THR A 17 -12.211 10.021 3.348 1.00 0.00 H new ATOM 0 HB THR A 17 -11.044 11.609 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.177 10.750 7.194 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.996 12.037 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.526 11.653 4.710 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.643 10.422 5.990 1.00 0.00 H new ATOM 277 N SER A 18 -9.433 8.766 4.545 1.00 0.00 N ATOM 278 CA SER A 18 -8.077 8.398 4.174 1.00 0.00 C ATOM 279 C SER A 18 -8.105 7.329 3.080 1.00 0.00 C ATOM 280 O SER A 18 -7.482 7.492 2.032 1.00 0.00 O ATOM 281 CB SER A 18 -7.290 7.897 5.386 1.00 0.00 C ATOM 282 OG SER A 18 -7.024 8.940 6.320 1.00 0.00 O ATOM 0 H SER A 18 -9.685 8.549 5.509 1.00 0.00 H new ATOM 0 HA SER A 18 -7.575 9.287 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.851 7.103 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.348 7.461 5.052 1.00 0.00 H new ATOM 0 HG SER A 18 -6.521 8.578 7.080 1.00 0.00 H new ATOM 288 N ARG A 19 -8.835 6.260 3.362 1.00 0.00 N ATOM 289 CA ARG A 19 -8.953 5.164 2.415 1.00 0.00 C ATOM 290 C ARG A 19 -9.655 5.636 1.140 1.00 0.00 C ATOM 291 O ARG A 19 -9.026 5.764 0.091 1.00 0.00 O ATOM 292 CB ARG A 19 -9.736 3.996 3.017 1.00 0.00 C ATOM 293 CG ARG A 19 -9.643 2.755 2.127 1.00 0.00 C ATOM 294 CD ARG A 19 -10.813 2.698 1.143 1.00 0.00 C ATOM 295 NE ARG A 19 -12.097 2.734 1.879 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.541 1.740 2.661 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.809 0.629 2.813 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.718 1.859 3.291 1.00 0.00 N ATOM 0 H ARG A 19 -9.351 6.129 4.232 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.945 4.825 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.347 3.766 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.781 4.280 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.701 2.766 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.640 1.858 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.758 3.538 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.752 1.788 0.546 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.679 3.566 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.913 0.539 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.147 -0.127 3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.275 2.705 3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.057 1.103 3.886 1.00 0.00 H new ATOM 312 N LEU A 20 -10.949 5.884 1.273 1.00 0.00 N ATOM 313 CA LEU A 20 -11.744 6.339 0.146 1.00 0.00 C ATOM 314 C LEU A 20 -10.930 7.340 -0.675 1.00 0.00 C ATOM 315 O LEU A 20 -11.100 7.437 -1.890 1.00 0.00 O ATOM 316 CB LEU A 20 -13.090 6.887 0.626 1.00 0.00 C ATOM 317 CG LEU A 20 -13.363 8.360 0.312 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.755 8.774 0.797 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.265 9.257 0.888 1.00 0.00 C ATOM 0 H LEU A 20 -11.467 5.778 2.145 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.983 5.505 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.884 6.288 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.153 6.748 1.705 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.347 8.487 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.925 9.825 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.510 8.165 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.823 8.628 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.484 10.298 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.224 9.133 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.304 8.980 0.454 1.00 0.00 H new ATOM 331 N LEU A 21 -10.062 8.060 0.020 1.00 0.00 N ATOM 332 CA LEU A 21 -9.219 9.051 -0.630 1.00 0.00 C ATOM 333 C LEU A 21 -8.228 8.342 -1.555 1.00 0.00 C ATOM 334 O LEU A 21 -8.119 8.685 -2.731 1.00 0.00 O ATOM 335 CB LEU A 21 -8.553 9.953 0.410 1.00 0.00 C ATOM 336 CG LEU A 21 -9.328 11.214 0.800 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.844 11.762 2.143 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.255 12.266 -0.309 1.00 0.00 C ATOM 0 H LEU A 21 -9.924 7.977 1.027 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.820 9.713 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.376 9.366 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.577 10.254 0.029 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.378 10.946 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.411 12.658 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.990 11.009 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.785 12.011 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.813 13.152 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.214 12.536 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.685 11.860 -1.224 1.00 0.00 H new ATOM 350 N LEU A 22 -7.531 7.369 -0.988 1.00 0.00 N ATOM 351 CA LEU A 22 -6.552 6.610 -1.748 1.00 0.00 C ATOM 352 C LEU A 22 -7.276 5.727 -2.767 1.00 0.00 C ATOM 353 O LEU A 22 -6.888 5.673 -3.933 1.00 0.00 O ATOM 354 CB LEU A 22 -5.630 5.832 -0.807 1.00 0.00 C ATOM 355 CG LEU A 22 -6.323 4.930 0.216 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.951 3.712 -0.464 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.358 4.528 1.335 1.00 0.00 C ATOM 0 H LEU A 22 -7.624 7.089 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.903 7.281 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.962 5.217 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.006 6.546 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.133 5.495 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.437 3.087 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.689 4.043 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.175 3.136 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.875 3.887 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.512 3.988 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.999 5.422 1.844 1.00 0.00 H new ATOM 369 N GLY A 23 -8.315 5.058 -2.291 1.00 0.00 N ATOM 370 CA GLY A 23 -9.097 4.181 -3.145 1.00 0.00 C ATOM 371 C GLY A 23 -9.666 4.947 -4.342 1.00 0.00 C ATOM 372 O GLY A 23 -9.846 4.380 -5.418 1.00 0.00 O ATOM 0 H GLY A 23 -8.634 5.106 -1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.473 3.359 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.911 3.739 -2.571 1.00 0.00 H new ATOM 376 N ASP A 24 -9.933 6.224 -4.113 1.00 0.00 N ATOM 377 CA ASP A 24 -10.478 7.073 -5.158 1.00 0.00 C ATOM 378 C ASP A 24 -9.372 7.419 -6.158 1.00 0.00 C ATOM 379 O ASP A 24 -9.559 7.287 -7.367 1.00 0.00 O ATOM 380 CB ASP A 24 -11.017 8.383 -4.580 1.00 0.00 C ATOM 381 CG ASP A 24 -12.510 8.378 -4.249 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.053 7.263 -4.095 1.00 0.00 O ATOM 383 OD2 ASP A 24 -13.075 9.489 -4.156 1.00 0.00 O ATOM 0 H ASP A 24 -9.782 6.691 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.290 6.531 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.460 8.619 -3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.821 9.185 -5.292 1.00 0.00 H new ATOM 388 N ALA A 25 -8.243 7.853 -5.617 1.00 0.00 N ATOM 389 CA ALA A 25 -7.108 8.217 -6.446 1.00 0.00 C ATOM 390 C ALA A 25 -6.555 6.963 -7.126 1.00 0.00 C ATOM 391 O ALA A 25 -6.262 6.978 -8.321 1.00 0.00 O ATOM 392 CB ALA A 25 -6.056 8.926 -5.589 1.00 0.00 C ATOM 0 H ALA A 25 -8.091 7.961 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.413 8.910 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.204 9.199 -6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.489 9.825 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.725 8.259 -4.793 1.00 0.00 H new ATOM 398 N LEU A 26 -6.428 5.907 -6.336 1.00 0.00 N ATOM 399 CA LEU A 26 -5.916 4.646 -6.847 1.00 0.00 C ATOM 400 C LEU A 26 -6.762 4.205 -8.042 1.00 0.00 C ATOM 401 O LEU A 26 -6.225 3.823 -9.081 1.00 0.00 O ATOM 402 CB LEU A 26 -5.840 3.606 -5.728 1.00 0.00 C ATOM 403 CG LEU A 26 -4.552 3.601 -4.902 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.321 3.671 -5.807 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.564 4.724 -3.862 1.00 0.00 C ATOM 0 H LEU A 26 -6.671 5.898 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.894 4.766 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.680 3.766 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.969 2.617 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.498 2.658 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.419 3.666 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.311 2.810 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.354 4.587 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.638 4.698 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.652 5.686 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.411 4.588 -3.190 1.00 0.00 H new ATOM 417 N GLN A 27 -8.073 4.270 -7.856 1.00 0.00 N ATOM 418 CA GLN A 27 -8.999 3.881 -8.905 1.00 0.00 C ATOM 419 C GLN A 27 -8.817 4.777 -10.133 1.00 0.00 C ATOM 420 O GLN A 27 -9.020 4.336 -11.263 1.00 0.00 O ATOM 421 CB GLN A 27 -10.444 3.923 -8.405 1.00 0.00 C ATOM 422 CG GLN A 27 -10.965 5.362 -8.356 1.00 0.00 C ATOM 423 CD GLN A 27 -12.378 5.453 -8.936 1.00 0.00 C ATOM 424 OE1 GLN A 27 -13.020 4.459 -9.236 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.826 6.697 -9.076 1.00 0.00 N ATOM 0 H GLN A 27 -8.515 4.587 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.779 2.853 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.077 3.325 -9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.502 3.477 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.967 5.717 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.295 6.014 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.237 7.485 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.759 6.864 -9.454 1.00 0.00 H new ATOM 434 N GLN A 28 -8.435 6.017 -9.869 1.00 0.00 N ATOM 435 CA GLN A 28 -8.223 6.979 -10.938 1.00 0.00 C ATOM 436 C GLN A 28 -6.918 6.672 -11.676 1.00 0.00 C ATOM 437 O GLN A 28 -6.659 7.230 -12.740 1.00 0.00 O ATOM 438 CB GLN A 28 -8.224 8.410 -10.396 1.00 0.00 C ATOM 439 CG GLN A 28 -8.841 9.379 -11.407 1.00 0.00 C ATOM 440 CD GLN A 28 -10.356 9.475 -11.221 1.00 0.00 C ATOM 441 OE1 GLN A 28 -11.108 8.579 -11.566 1.00 0.00 O ATOM 442 NE2 GLN A 28 -10.760 10.609 -10.656 1.00 0.00 N ATOM 0 H GLN A 28 -8.267 6.379 -8.930 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.047 6.894 -11.647 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.784 8.448 -9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.203 8.717 -10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.394 10.366 -11.290 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.616 9.045 -12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.077 11.318 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.753 10.769 -10.487 1.00 0.00 H new ATOM 451 N LEU A 29 -6.133 5.787 -11.080 1.00 0.00 N ATOM 452 CA LEU A 29 -4.862 5.400 -11.668 1.00 0.00 C ATOM 453 C LEU A 29 -5.096 4.292 -12.696 1.00 0.00 C ATOM 454 O LEU A 29 -4.607 4.370 -13.822 1.00 0.00 O ATOM 455 CB LEU A 29 -3.858 5.024 -10.576 1.00 0.00 C ATOM 456 CG LEU A 29 -3.694 3.527 -10.304 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.848 2.862 -11.391 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.123 3.285 -8.904 1.00 0.00 C ATOM 0 H LEU A 29 -6.352 5.327 -10.196 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.418 6.241 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.885 5.433 -10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.160 5.511 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.680 3.063 -10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.747 1.799 -11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.333 2.990 -12.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.860 3.323 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.016 2.214 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.148 3.765 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.798 3.704 -8.158 1.00 0.00 H new ATOM 470 N GLY A 30 -5.845 3.284 -12.272 1.00 0.00 N ATOM 471 CA GLY A 30 -6.151 2.161 -13.142 1.00 0.00 C ATOM 472 C GLY A 30 -5.648 0.848 -12.538 1.00 0.00 C ATOM 473 O GLY A 30 -4.808 0.171 -13.129 1.00 0.00 O ATOM 0 H GLY A 30 -6.249 3.222 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.228 2.103 -13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.691 2.316 -14.118 1.00 0.00 H new ATOM 477 N PHE A 31 -6.182 0.528 -11.368 1.00 0.00 N ATOM 478 CA PHE A 31 -5.798 -0.691 -10.679 1.00 0.00 C ATOM 479 C PHE A 31 -6.457 -1.915 -11.320 1.00 0.00 C ATOM 480 O PHE A 31 -7.320 -1.777 -12.185 1.00 0.00 O ATOM 481 CB PHE A 31 -6.286 -0.562 -9.235 1.00 0.00 C ATOM 482 CG PHE A 31 -7.807 -0.475 -9.098 1.00 0.00 C ATOM 483 CD1 PHE A 31 -8.586 -1.519 -9.488 1.00 0.00 C ATOM 484 CD2 PHE A 31 -8.381 0.647 -8.585 1.00 0.00 C ATOM 485 CE1 PHE A 31 -9.998 -1.439 -9.361 1.00 0.00 C ATOM 486 CE2 PHE A 31 -9.793 0.727 -8.459 1.00 0.00 C ATOM 487 CZ PHE A 31 -10.572 -0.317 -8.849 1.00 0.00 C ATOM 0 H PHE A 31 -6.878 1.093 -10.880 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.717 -0.823 -10.733 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.928 -1.419 -8.664 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.840 0.327 -8.790 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.130 -2.410 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.763 1.476 -8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.616 -2.269 -9.671 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.249 1.618 -8.053 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.646 -0.255 -8.752 1.00 0.00 H new ATOM 497 N LYS A 32 -6.024 -3.083 -10.870 1.00 0.00 N ATOM 498 CA LYS A 32 -6.562 -4.330 -11.389 1.00 0.00 C ATOM 499 C LYS A 32 -7.833 -4.691 -10.619 1.00 0.00 C ATOM 500 O LYS A 32 -8.915 -4.762 -11.199 1.00 0.00 O ATOM 501 CB LYS A 32 -5.494 -5.426 -11.362 1.00 0.00 C ATOM 502 CG LYS A 32 -4.669 -5.420 -12.651 1.00 0.00 C ATOM 503 CD LYS A 32 -3.708 -4.230 -12.681 1.00 0.00 C ATOM 504 CE LYS A 32 -2.912 -4.202 -13.987 1.00 0.00 C ATOM 505 NZ LYS A 32 -1.656 -4.972 -13.845 1.00 0.00 N ATOM 0 H LYS A 32 -5.307 -3.193 -10.152 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.844 -4.217 -12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.837 -5.278 -10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.969 -6.399 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.105 -6.349 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.335 -5.376 -13.513 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.269 -3.302 -12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.024 -4.289 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.513 -4.620 -14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.685 -3.171 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.853 -4.385 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.528 -5.248 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.703 -5.825 -14.437 1.00 0.00 H new ATOM 519 N GLN A 33 -7.661 -4.911 -9.324 1.00 0.00 N ATOM 520 CA GLN A 33 -8.782 -5.264 -8.469 1.00 0.00 C ATOM 521 C GLN A 33 -8.620 -4.621 -7.090 1.00 0.00 C ATOM 522 O GLN A 33 -7.935 -5.162 -6.224 1.00 0.00 O ATOM 523 CB GLN A 33 -8.925 -6.782 -8.352 1.00 0.00 C ATOM 524 CG GLN A 33 -10.323 -7.235 -8.779 1.00 0.00 C ATOM 525 CD GLN A 33 -11.151 -7.674 -7.569 1.00 0.00 C ATOM 526 OE1 GLN A 33 -11.282 -6.967 -6.584 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.701 -8.879 -7.698 1.00 0.00 N ATOM 0 H GLN A 33 -6.762 -4.852 -8.846 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.695 -4.880 -8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.175 -7.271 -8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.737 -7.091 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.831 -6.421 -9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.241 -8.060 -9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.551 -9.419 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.272 -9.262 -6.945 1.00 0.00 H new ATOM 536 N ILE A 34 -9.263 -3.474 -6.928 1.00 0.00 N ATOM 537 CA ILE A 34 -9.200 -2.751 -5.669 1.00 0.00 C ATOM 538 C ILE A 34 -10.035 -3.488 -4.621 1.00 0.00 C ATOM 539 O ILE A 34 -11.108 -4.005 -4.928 1.00 0.00 O ATOM 540 CB ILE A 34 -9.611 -1.290 -5.869 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.396 -0.364 -5.801 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.697 -0.886 -4.869 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.827 1.103 -5.732 1.00 0.00 C ATOM 0 H ILE A 34 -9.831 -3.027 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.176 -2.721 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.037 -1.188 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.794 -0.611 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.766 -0.521 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.972 0.156 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.574 -1.518 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.320 -1.008 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.944 1.740 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.408 1.354 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.437 1.262 -4.843 1.00 0.00 H new ATOM 555 N THR A 35 -9.512 -3.511 -3.404 1.00 0.00 N ATOM 556 CA THR A 35 -10.196 -4.176 -2.308 1.00 0.00 C ATOM 557 C THR A 35 -10.021 -3.383 -1.011 1.00 0.00 C ATOM 558 O THR A 35 -8.905 -3.229 -0.519 1.00 0.00 O ATOM 559 CB THR A 35 -9.667 -5.609 -2.220 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.831 -6.394 -1.976 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.798 -5.837 -0.983 1.00 0.00 C ATOM 0 H THR A 35 -8.622 -3.080 -3.153 1.00 0.00 H new ATOM 0 HA THR A 35 -11.271 -4.221 -2.482 1.00 0.00 H new ATOM 0 HB THR A 35 -9.090 -5.839 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.576 -7.335 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.449 -6.869 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.941 -5.164 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.384 -5.640 -0.085 1.00 0.00 H new ATOM 569 N ALA A 36 -11.142 -2.901 -0.494 1.00 0.00 N ATOM 570 CA ALA A 36 -11.127 -2.128 0.736 1.00 0.00 C ATOM 571 C ALA A 36 -11.480 -3.042 1.912 1.00 0.00 C ATOM 572 O ALA A 36 -12.239 -3.996 1.755 1.00 0.00 O ATOM 573 CB ALA A 36 -12.088 -0.945 0.608 1.00 0.00 C ATOM 0 H ALA A 36 -12.067 -3.031 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.133 -1.721 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.076 -0.365 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.776 -0.311 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.097 -1.314 0.424 1.00 0.00 H new ATOM 579 N ALA A 37 -10.912 -2.717 3.063 1.00 0.00 N ATOM 580 CA ALA A 37 -11.157 -3.497 4.265 1.00 0.00 C ATOM 581 C ALA A 37 -11.423 -2.548 5.437 1.00 0.00 C ATOM 582 O ALA A 37 -11.453 -1.332 5.262 1.00 0.00 O ATOM 583 CB ALA A 37 -9.968 -4.424 4.524 1.00 0.00 C ATOM 0 H ALA A 37 -10.283 -1.924 3.190 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.039 -4.126 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.152 -5.009 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.839 -5.096 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.064 -3.829 4.656 1.00 0.00 H new ATOM 589 N GLY A 38 -11.610 -3.143 6.606 1.00 0.00 N ATOM 590 CA GLY A 38 -11.873 -2.367 7.807 1.00 0.00 C ATOM 591 C GLY A 38 -10.694 -1.447 8.133 1.00 0.00 C ATOM 592 O GLY A 38 -10.860 -0.231 8.224 1.00 0.00 O ATOM 0 H GLY A 38 -11.585 -4.153 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.776 -1.772 7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.058 -3.039 8.645 1.00 0.00 H new ATOM 596 N ASP A 39 -9.533 -2.061 8.299 1.00 0.00 N ATOM 597 CA ASP A 39 -8.328 -1.312 8.613 1.00 0.00 C ATOM 598 C ASP A 39 -7.158 -2.283 8.781 1.00 0.00 C ATOM 599 O ASP A 39 -7.358 -3.494 8.859 1.00 0.00 O ATOM 600 CB ASP A 39 -8.488 -0.533 9.920 1.00 0.00 C ATOM 601 CG ASP A 39 -9.597 -1.042 10.844 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.320 -2.011 11.583 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.697 -0.451 10.789 1.00 0.00 O ATOM 0 H ASP A 39 -9.400 -3.069 8.222 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.144 -0.613 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.542 -0.563 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.686 0.512 9.681 1.00 0.00 H new ATOM 608 N GLY A 40 -5.962 -1.715 8.832 1.00 0.00 N ATOM 609 CA GLY A 40 -4.760 -2.514 8.990 1.00 0.00 C ATOM 610 C GLY A 40 -5.026 -3.981 8.639 1.00 0.00 C ATOM 611 O GLY A 40 -5.264 -4.311 7.479 1.00 0.00 O ATOM 0 H GLY A 40 -5.800 -0.710 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.971 -2.120 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.403 -2.441 10.017 1.00 0.00 H new ATOM 615 N GLU A 41 -4.977 -4.819 9.664 1.00 0.00 N ATOM 616 CA GLU A 41 -5.211 -6.241 9.478 1.00 0.00 C ATOM 617 C GLU A 41 -6.520 -6.470 8.720 1.00 0.00 C ATOM 618 O GLU A 41 -6.541 -7.171 7.710 1.00 0.00 O ATOM 619 CB GLU A 41 -5.220 -6.974 10.821 1.00 0.00 C ATOM 620 CG GLU A 41 -6.556 -6.783 11.541 1.00 0.00 C ATOM 621 CD GLU A 41 -6.575 -7.539 12.871 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.588 -8.261 13.128 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.577 -7.378 13.601 1.00 0.00 O ATOM 0 H GLU A 41 -4.779 -4.541 10.625 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.394 -6.649 8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.038 -8.037 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.409 -6.603 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.729 -5.722 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.369 -7.136 10.906 1.00 0.00 H new ATOM 630 N GLN A 42 -7.579 -5.865 9.236 1.00 0.00 N ATOM 631 CA GLN A 42 -8.889 -5.994 8.620 1.00 0.00 C ATOM 632 C GLN A 42 -8.761 -5.989 7.095 1.00 0.00 C ATOM 633 O GLN A 42 -9.582 -6.582 6.398 1.00 0.00 O ATOM 634 CB GLN A 42 -9.830 -4.884 9.094 1.00 0.00 C ATOM 635 CG GLN A 42 -10.896 -5.438 10.041 1.00 0.00 C ATOM 636 CD GLN A 42 -12.142 -5.873 9.268 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.077 -6.331 8.139 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.280 -5.706 9.937 1.00 0.00 N ATOM 0 H GLN A 42 -7.557 -5.284 10.074 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.321 -6.947 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.257 -4.107 9.600 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.310 -4.417 8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.492 -6.286 10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.166 -4.679 10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.265 -5.317 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.167 -5.967 9.507 1.00 0.00 H new ATOM 647 N GLY A 43 -7.724 -5.313 6.623 1.00 0.00 N ATOM 648 CA GLY A 43 -7.478 -5.224 5.193 1.00 0.00 C ATOM 649 C GLY A 43 -6.246 -6.041 4.797 1.00 0.00 C ATOM 650 O GLY A 43 -6.278 -6.779 3.813 1.00 0.00 O ATOM 0 H GLY A 43 -7.045 -4.822 7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.349 -5.586 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.334 -4.181 4.909 1.00 0.00 H new ATOM 654 N MET A 44 -5.191 -5.882 5.583 1.00 0.00 N ATOM 655 CA MET A 44 -3.953 -6.597 5.326 1.00 0.00 C ATOM 656 C MET A 44 -4.194 -8.107 5.263 1.00 0.00 C ATOM 657 O MET A 44 -3.777 -8.767 4.312 1.00 0.00 O ATOM 658 CB MET A 44 -2.945 -6.286 6.434 1.00 0.00 C ATOM 659 CG MET A 44 -2.091 -7.513 6.759 1.00 0.00 C ATOM 660 SD MET A 44 -1.234 -8.066 5.293 1.00 0.00 S ATOM 661 CE MET A 44 -0.311 -9.435 5.970 1.00 0.00 C ATOM 0 H MET A 44 -5.168 -5.269 6.398 1.00 0.00 H new ATOM 0 HA MET A 44 -3.560 -6.271 4.363 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.302 -5.462 6.124 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.473 -5.959 7.330 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.372 -7.269 7.541 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.722 -8.314 7.145 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.297 -10.255 5.252 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.711 -9.118 6.178 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.782 -9.770 6.894 1.00 0.00 H new ATOM 671 N LYS A 45 -4.865 -8.610 6.288 1.00 0.00 N ATOM 672 CA LYS A 45 -5.166 -10.029 6.362 1.00 0.00 C ATOM 673 C LYS A 45 -5.926 -10.451 5.103 1.00 0.00 C ATOM 674 O LYS A 45 -5.732 -11.555 4.597 1.00 0.00 O ATOM 675 CB LYS A 45 -5.903 -10.355 7.663 1.00 0.00 C ATOM 676 CG LYS A 45 -5.304 -9.582 8.840 1.00 0.00 C ATOM 677 CD LYS A 45 -5.021 -10.514 10.020 1.00 0.00 C ATOM 678 CE LYS A 45 -6.323 -11.018 10.646 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.042 -11.798 11.871 1.00 0.00 N ATOM 0 H LYS A 45 -5.209 -8.060 7.075 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.245 -10.612 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.959 -10.106 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.846 -11.426 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.381 -9.094 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.991 -8.795 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.423 -11.361 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.432 -9.987 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.969 -10.173 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.862 -11.638 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.937 -12.132 12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.444 -12.615 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.547 -11.196 12.560 1.00 0.00 H new ATOM 693 N ILE A 46 -6.775 -9.549 4.632 1.00 0.00 N ATOM 694 CA ILE A 46 -7.565 -9.813 3.442 1.00 0.00 C ATOM 695 C ILE A 46 -6.628 -10.076 2.262 1.00 0.00 C ATOM 696 O ILE A 46 -6.839 -11.015 1.494 1.00 0.00 O ATOM 697 CB ILE A 46 -8.560 -8.678 3.196 1.00 0.00 C ATOM 698 CG1 ILE A 46 -9.915 -8.987 3.837 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.687 -8.376 1.701 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.736 -9.626 5.215 1.00 0.00 C ATOM 0 H ILE A 46 -6.933 -8.634 5.054 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.169 -10.710 3.577 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.177 -7.777 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.495 -8.069 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.482 -9.658 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.400 -7.565 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.715 -8.081 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.036 -9.266 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.714 -9.836 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.177 -10.556 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.190 -8.942 5.865 1.00 0.00 H new ATOM 712 N MET A 47 -5.612 -9.233 2.154 1.00 0.00 N ATOM 713 CA MET A 47 -4.642 -9.363 1.080 1.00 0.00 C ATOM 714 C MET A 47 -3.830 -10.651 1.228 1.00 0.00 C ATOM 715 O MET A 47 -3.426 -11.253 0.234 1.00 0.00 O ATOM 716 CB MET A 47 -3.697 -8.159 1.097 1.00 0.00 C ATOM 717 CG MET A 47 -4.335 -6.952 0.403 1.00 0.00 C ATOM 718 SD MET A 47 -3.554 -6.674 -1.177 1.00 0.00 S ATOM 719 CE MET A 47 -4.989 -6.678 -2.239 1.00 0.00 C ATOM 0 H MET A 47 -5.439 -8.457 2.793 1.00 0.00 H new ATOM 0 HA MET A 47 -5.180 -9.401 0.133 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.448 -7.902 2.127 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.763 -8.418 0.599 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.403 -7.124 0.265 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.233 -6.066 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.734 -6.226 -3.198 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.321 -7.704 -2.398 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.790 -6.106 -1.770 1.00 0.00 H new ATOM 729 N ALA A 48 -3.613 -11.036 2.477 1.00 0.00 N ATOM 730 CA ALA A 48 -2.857 -12.242 2.768 1.00 0.00 C ATOM 731 C ALA A 48 -3.603 -13.455 2.209 1.00 0.00 C ATOM 732 O ALA A 48 -3.010 -14.299 1.538 1.00 0.00 O ATOM 733 CB ALA A 48 -2.621 -12.346 4.276 1.00 0.00 C ATOM 0 H ALA A 48 -3.948 -10.534 3.299 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.879 -12.207 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.054 -13.251 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.061 -11.476 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.580 -12.386 4.792 1.00 0.00 H new ATOM 739 N GLN A 49 -4.893 -13.504 2.506 1.00 0.00 N ATOM 740 CA GLN A 49 -5.728 -14.600 2.043 1.00 0.00 C ATOM 741 C GLN A 49 -5.819 -14.587 0.516 1.00 0.00 C ATOM 742 O GLN A 49 -5.366 -15.522 -0.144 1.00 0.00 O ATOM 743 CB GLN A 49 -7.120 -14.534 2.675 1.00 0.00 C ATOM 744 CG GLN A 49 -7.025 -14.316 4.186 1.00 0.00 C ATOM 745 CD GLN A 49 -7.375 -15.597 4.948 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.721 -16.616 4.374 1.00 0.00 O ATOM 747 NE2 GLN A 49 -7.267 -15.487 6.269 1.00 0.00 N ATOM 0 H GLN A 49 -5.381 -12.802 3.062 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.268 -15.538 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.691 -13.724 2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.661 -15.458 2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.016 -13.997 4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.701 -13.515 4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.972 -14.604 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.480 -16.286 6.866 1.00 0.00 H new ATOM 756 N ASN A 50 -6.407 -13.519 -0.003 1.00 0.00 N ATOM 757 CA ASN A 50 -6.563 -13.373 -1.439 1.00 0.00 C ATOM 758 C ASN A 50 -5.238 -12.904 -2.047 1.00 0.00 C ATOM 759 O ASN A 50 -4.233 -12.801 -1.347 1.00 0.00 O ATOM 760 CB ASN A 50 -7.632 -12.330 -1.775 1.00 0.00 C ATOM 761 CG ASN A 50 -8.558 -12.092 -0.581 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.802 -12.968 0.233 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.058 -10.862 -0.523 1.00 0.00 N ATOM 0 H ASN A 50 -6.781 -12.746 0.547 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.862 -14.339 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.154 -11.393 -2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.216 -12.665 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.688 -10.603 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.812 -10.177 -1.238 1.00 0.00 H new ATOM 770 N PRO A 51 -5.283 -12.627 -3.377 1.00 0.00 N ATOM 771 CA PRO A 51 -4.099 -12.171 -4.087 1.00 0.00 C ATOM 772 C PRO A 51 -3.790 -10.710 -3.756 1.00 0.00 C ATOM 773 O PRO A 51 -4.701 -9.894 -3.622 1.00 0.00 O ATOM 774 CB PRO A 51 -4.412 -12.394 -5.558 1.00 0.00 C ATOM 775 CG PRO A 51 -5.925 -12.528 -5.647 1.00 0.00 C ATOM 776 CD PRO A 51 -6.457 -12.737 -4.238 1.00 0.00 C ATOM 0 HA PRO A 51 -3.200 -12.715 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.058 -11.560 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.918 -13.291 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.362 -11.634 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.197 -13.368 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.207 -11.988 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.933 -13.712 -4.135 1.00 0.00 H new ATOM 784 N HIS A 52 -2.503 -10.423 -3.635 1.00 0.00 N ATOM 785 CA HIS A 52 -2.062 -9.074 -3.323 1.00 0.00 C ATOM 786 C HIS A 52 -0.880 -8.701 -4.220 1.00 0.00 C ATOM 787 O HIS A 52 -0.033 -9.540 -4.519 1.00 0.00 O ATOM 788 CB HIS A 52 -1.742 -8.939 -1.833 1.00 0.00 C ATOM 789 CG HIS A 52 -0.839 -10.024 -1.298 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.094 -11.371 -1.485 1.00 0.00 N ATOM 791 CD2 HIS A 52 0.319 -9.946 -0.580 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.126 -12.065 -0.901 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.747 -11.180 -0.341 1.00 0.00 N ATOM 0 H HIS A 52 -1.750 -11.102 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.866 -8.367 -3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.272 -7.971 -1.659 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.675 -8.946 -1.269 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.891 -11.764 -1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.805 -9.036 -0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.044 -13.142 -0.874 1.00 0.00 H new ATOM 802 N HIS A 53 -0.861 -7.439 -4.624 1.00 0.00 N ATOM 803 CA HIS A 53 0.203 -6.943 -5.480 1.00 0.00 C ATOM 804 C HIS A 53 0.617 -5.542 -5.026 1.00 0.00 C ATOM 805 O HIS A 53 1.805 -5.227 -4.977 1.00 0.00 O ATOM 806 CB HIS A 53 -0.218 -6.989 -6.950 1.00 0.00 C ATOM 807 CG HIS A 53 0.937 -6.930 -7.922 1.00 0.00 C ATOM 808 ND1 HIS A 53 1.142 -5.862 -8.779 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.947 -7.816 -8.162 1.00 0.00 C ATOM 810 CE1 HIS A 53 2.229 -6.106 -9.498 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.725 -7.317 -9.115 1.00 0.00 N ATOM 0 H HIS A 53 -1.566 -6.745 -4.374 1.00 0.00 H new ATOM 0 HA HIS A 53 1.077 -7.588 -5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.782 -7.905 -7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.891 -6.156 -7.151 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.089 -8.762 -7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.648 -5.459 -10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.557 -7.766 -9.498 1.00 0.00 H new ATOM 820 N LEU A 54 -0.387 -4.738 -4.705 1.00 0.00 N ATOM 821 CA LEU A 54 -0.142 -3.378 -4.257 1.00 0.00 C ATOM 822 C LEU A 54 -1.077 -3.054 -3.091 1.00 0.00 C ATOM 823 O LEU A 54 -2.291 -2.963 -3.270 1.00 0.00 O ATOM 824 CB LEU A 54 -0.257 -2.399 -5.427 1.00 0.00 C ATOM 825 CG LEU A 54 -0.667 -0.970 -5.068 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.493 -0.213 -4.418 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.217 -0.233 -6.291 1.00 0.00 C ATOM 0 H LEU A 54 -1.371 -5.003 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 54 0.878 -3.277 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.704 -2.362 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.982 -2.796 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.471 -1.021 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.174 0.800 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.798 -0.728 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.334 -0.171 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.501 0.781 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.452 -0.192 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.091 -0.762 -6.672 1.00 0.00 H new ATOM 839 N VAL A 55 -0.478 -2.890 -1.920 1.00 0.00 N ATOM 840 CA VAL A 55 -1.242 -2.578 -0.725 1.00 0.00 C ATOM 841 C VAL A 55 -1.200 -1.069 -0.477 1.00 0.00 C ATOM 842 O VAL A 55 -0.145 -0.447 -0.590 1.00 0.00 O ATOM 843 CB VAL A 55 -0.718 -3.394 0.459 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.077 -2.725 1.787 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.243 -4.831 0.409 1.00 0.00 C ATOM 0 H VAL A 55 0.529 -2.968 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.288 -2.856 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 55 0.369 -3.431 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.693 -3.325 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.633 -1.730 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.161 -2.643 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.856 -5.390 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.332 -4.822 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.915 -5.306 -0.515 1.00 0.00 H new ATOM 855 N ILE A 56 -2.360 -0.524 -0.142 1.00 0.00 N ATOM 856 CA ILE A 56 -2.469 0.901 0.124 1.00 0.00 C ATOM 857 C ILE A 56 -3.350 1.119 1.356 1.00 0.00 C ATOM 858 O ILE A 56 -4.516 0.730 1.366 1.00 0.00 O ATOM 859 CB ILE A 56 -2.958 1.642 -1.121 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.050 0.846 -1.839 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.792 1.982 -2.051 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.464 -0.382 -2.539 1.00 0.00 C ATOM 0 H ILE A 56 -3.233 -1.043 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.490 1.322 0.353 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.402 2.586 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.808 0.532 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.548 1.483 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.168 2.508 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.080 2.617 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.296 1.063 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.261 -0.930 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.724 -0.064 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.988 -1.029 -1.802 1.00 0.00 H new ATOM 874 N SER A 57 -2.757 1.741 2.364 1.00 0.00 N ATOM 875 CA SER A 57 -3.472 2.017 3.599 1.00 0.00 C ATOM 876 C SER A 57 -3.054 3.380 4.152 1.00 0.00 C ATOM 877 O SER A 57 -2.294 4.107 3.514 1.00 0.00 O ATOM 878 CB SER A 57 -3.220 0.923 4.637 1.00 0.00 C ATOM 879 OG SER A 57 -3.446 1.386 5.966 1.00 0.00 O ATOM 0 H SER A 57 -1.789 2.062 2.351 1.00 0.00 H new ATOM 0 HA SER A 57 -4.540 2.033 3.380 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.871 0.073 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.194 0.567 4.547 1.00 0.00 H new ATOM 0 HG SER A 57 -3.276 0.658 6.599 1.00 0.00 H new ATOM 885 N ASP A 58 -3.570 3.687 5.333 1.00 0.00 N ATOM 886 CA ASP A 58 -3.261 4.951 5.980 1.00 0.00 C ATOM 887 C ASP A 58 -2.026 4.776 6.866 1.00 0.00 C ATOM 888 O ASP A 58 -1.557 3.658 7.069 1.00 0.00 O ATOM 889 CB ASP A 58 -4.418 5.413 6.869 1.00 0.00 C ATOM 890 CG ASP A 58 -4.804 4.443 7.986 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.145 3.384 8.070 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.749 4.781 8.731 1.00 0.00 O ATOM 0 H ASP A 58 -4.200 3.082 5.859 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.085 5.694 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.152 6.371 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.292 5.586 6.241 1.00 0.00 H new ATOM 897 N PHE A 59 -1.535 5.899 7.370 1.00 0.00 N ATOM 898 CA PHE A 59 -0.363 5.884 8.229 1.00 0.00 C ATOM 899 C PHE A 59 -0.750 5.581 9.677 1.00 0.00 C ATOM 900 O PHE A 59 0.109 5.268 10.501 1.00 0.00 O ATOM 901 CB PHE A 59 0.259 7.281 8.162 1.00 0.00 C ATOM 902 CG PHE A 59 1.649 7.312 7.523 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.576 6.377 7.865 1.00 0.00 C ATOM 904 CD2 PHE A 59 1.959 8.273 6.612 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.866 6.406 7.274 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.248 8.302 6.021 1.00 0.00 C ATOM 907 CZ PHE A 59 4.176 7.368 6.363 1.00 0.00 C ATOM 0 H PHE A 59 -1.927 6.825 7.200 1.00 0.00 H new ATOM 0 HA PHE A 59 0.332 5.113 7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.404 7.936 7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.325 7.687 9.171 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.330 5.612 8.587 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.223 9.015 6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.602 5.664 7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.493 9.067 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.157 7.390 5.912 1.00 0.00 H new ATOM 917 N ASN A 60 -2.043 5.685 9.946 1.00 0.00 N ATOM 918 CA ASN A 60 -2.555 5.426 11.281 1.00 0.00 C ATOM 919 C ASN A 60 -1.849 4.200 11.864 1.00 0.00 C ATOM 920 O ASN A 60 -1.095 3.524 11.166 1.00 0.00 O ATOM 921 CB ASN A 60 -4.056 5.138 11.250 1.00 0.00 C ATOM 922 CG ASN A 60 -4.866 6.431 11.360 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.874 7.105 12.377 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.544 6.741 10.258 1.00 0.00 N ATOM 0 H ASN A 60 -2.752 5.946 9.261 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.372 6.311 11.890 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.312 4.622 10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.318 4.470 12.070 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.114 7.587 10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.494 6.133 9.440 1.00 0.00 H new ATOM 931 N MET A 61 -2.120 3.949 13.136 1.00 0.00 N ATOM 932 CA MET A 61 -1.521 2.816 13.820 1.00 0.00 C ATOM 933 C MET A 61 -2.558 1.722 14.079 1.00 0.00 C ATOM 934 O MET A 61 -2.900 1.445 15.229 1.00 0.00 O ATOM 935 CB MET A 61 -0.923 3.280 15.149 1.00 0.00 C ATOM 936 CG MET A 61 -2.024 3.636 16.151 1.00 0.00 C ATOM 937 SD MET A 61 -1.546 5.069 17.101 1.00 0.00 S ATOM 938 CE MET A 61 -2.601 4.864 18.526 1.00 0.00 C ATOM 0 H MET A 61 -2.747 4.511 13.711 1.00 0.00 H new ATOM 0 HA MET A 61 -0.737 2.404 13.184 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.291 2.494 15.562 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.284 4.147 14.982 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.957 3.834 15.623 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.207 2.793 16.817 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.429 5.681 19.227 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.644 4.870 18.210 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.375 3.915 19.013 1.00 0.00 H new ATOM 948 N PRO A 62 -3.044 1.113 12.965 1.00 0.00 N ATOM 949 CA PRO A 62 -4.035 0.056 13.061 1.00 0.00 C ATOM 950 C PRO A 62 -3.398 -1.251 13.539 1.00 0.00 C ATOM 951 O PRO A 62 -2.326 -1.239 14.141 1.00 0.00 O ATOM 952 CB PRO A 62 -4.634 -0.051 11.667 1.00 0.00 C ATOM 953 CG PRO A 62 -3.640 0.622 10.735 1.00 0.00 C ATOM 954 CD PRO A 62 -2.662 1.414 11.588 1.00 0.00 C ATOM 0 HA PRO A 62 -4.809 0.272 13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.788 -1.093 11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.607 0.439 11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.111 -0.122 10.140 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.157 1.280 10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.632 1.117 11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.732 2.482 11.382 1.00 0.00 H new ATOM 962 N LYS A 63 -4.087 -2.347 13.253 1.00 0.00 N ATOM 963 CA LYS A 63 -3.602 -3.659 13.647 1.00 0.00 C ATOM 964 C LYS A 63 -2.275 -3.941 12.940 1.00 0.00 C ATOM 965 O LYS A 63 -1.417 -4.638 13.479 1.00 0.00 O ATOM 966 CB LYS A 63 -4.672 -4.723 13.393 1.00 0.00 C ATOM 967 CG LYS A 63 -5.623 -4.839 14.587 1.00 0.00 C ATOM 968 CD LYS A 63 -5.320 -6.093 15.409 1.00 0.00 C ATOM 969 CE LYS A 63 -3.829 -6.431 15.363 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.396 -7.044 16.640 1.00 0.00 N ATOM 0 H LYS A 63 -4.976 -2.353 12.754 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.405 -3.687 14.719 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.237 -4.469 12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.196 -5.686 13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.530 -3.955 15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.654 -4.872 14.234 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.630 -5.938 16.443 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.899 -6.933 15.025 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.631 -7.116 14.538 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.251 -5.527 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.381 -7.267 16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.567 -6.378 17.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.935 -7.918 16.806 1.00 0.00 H new ATOM 984 N MET A 64 -2.147 -3.383 11.744 1.00 0.00 N ATOM 985 CA MET A 64 -0.940 -3.565 10.959 1.00 0.00 C ATOM 986 C MET A 64 -0.701 -2.371 10.033 1.00 0.00 C ATOM 987 O MET A 64 -1.570 -2.016 9.236 1.00 0.00 O ATOM 988 CB MET A 64 -1.061 -4.842 10.124 1.00 0.00 C ATOM 989 CG MET A 64 -1.629 -5.991 10.960 1.00 0.00 C ATOM 990 SD MET A 64 -1.483 -7.528 10.064 1.00 0.00 S ATOM 991 CE MET A 64 -1.650 -8.689 11.409 1.00 0.00 C ATOM 0 H MET A 64 -2.861 -2.805 11.301 1.00 0.00 H new ATOM 0 HA MET A 64 -0.095 -3.645 11.642 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.706 -4.659 9.265 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.082 -5.120 9.734 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.095 -6.061 11.908 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.675 -5.797 11.197 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.582 -9.706 11.022 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.854 -8.522 12.135 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.617 -8.549 11.893 1.00 0.00 H new ATOM 1001 N ASP A 65 0.478 -1.784 10.168 1.00 0.00 N ATOM 1002 CA ASP A 65 0.841 -0.636 9.354 1.00 0.00 C ATOM 1003 C ASP A 65 2.185 -0.905 8.672 1.00 0.00 C ATOM 1004 O ASP A 65 2.842 -1.902 8.961 1.00 0.00 O ATOM 1005 CB ASP A 65 0.988 0.623 10.210 1.00 0.00 C ATOM 1006 CG ASP A 65 0.886 1.942 9.442 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.171 2.151 8.810 1.00 0.00 O ATOM 1008 OD2 ASP A 65 1.869 2.712 9.506 1.00 0.00 O ATOM 0 H ASP A 65 1.195 -2.082 10.829 1.00 0.00 H new ATOM 0 HA ASP A 65 0.051 -0.481 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.220 0.610 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.952 0.589 10.717 1.00 0.00 H new ATOM 1013 N GLY A 66 2.552 0.006 7.782 1.00 0.00 N ATOM 1014 CA GLY A 66 3.806 -0.120 7.058 1.00 0.00 C ATOM 1015 C GLY A 66 4.822 -0.937 7.858 1.00 0.00 C ATOM 1016 O GLY A 66 5.571 -1.731 7.291 1.00 0.00 O ATOM 0 H GLY A 66 2.004 0.833 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.627 -0.598 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.212 0.870 6.852 1.00 0.00 H new ATOM 1020 N LEU A 67 4.815 -0.714 9.164 1.00 0.00 N ATOM 1021 CA LEU A 67 5.728 -1.419 10.048 1.00 0.00 C ATOM 1022 C LEU A 67 5.277 -2.876 10.182 1.00 0.00 C ATOM 1023 O LEU A 67 5.996 -3.790 9.783 1.00 0.00 O ATOM 1024 CB LEU A 67 5.850 -0.688 11.386 1.00 0.00 C ATOM 1025 CG LEU A 67 6.354 0.756 11.318 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.771 0.813 10.742 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.382 1.640 10.537 1.00 0.00 C ATOM 0 H LEU A 67 4.192 -0.055 9.631 1.00 0.00 H new ATOM 0 HA LEU A 67 6.733 -1.433 9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.872 -0.688 11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.522 -1.257 12.028 1.00 0.00 H new ATOM 0 HG LEU A 67 6.401 1.151 12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.107 1.849 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.445 0.236 11.376 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.772 0.394 9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.764 2.660 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.279 1.258 9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.409 1.633 11.028 1.00 0.00 H new ATOM 1039 N GLY A 68 4.090 -3.045 10.746 1.00 0.00 N ATOM 1040 CA GLY A 68 3.536 -4.374 10.938 1.00 0.00 C ATOM 1041 C GLY A 68 3.361 -5.093 9.598 1.00 0.00 C ATOM 1042 O GLY A 68 3.627 -6.290 9.493 1.00 0.00 O ATOM 0 H GLY A 68 3.497 -2.284 11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.193 -4.956 11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.574 -4.301 11.444 1.00 0.00 H new ATOM 1046 N LEU A 69 2.914 -4.334 8.610 1.00 0.00 N ATOM 1047 CA LEU A 69 2.700 -4.884 7.281 1.00 0.00 C ATOM 1048 C LEU A 69 3.999 -5.518 6.782 1.00 0.00 C ATOM 1049 O LEU A 69 3.996 -6.651 6.300 1.00 0.00 O ATOM 1050 CB LEU A 69 2.136 -3.815 6.343 1.00 0.00 C ATOM 1051 CG LEU A 69 0.684 -4.005 5.903 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.260 -3.987 7.107 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.288 -2.969 4.850 1.00 0.00 C ATOM 0 H LEU A 69 2.694 -3.342 8.702 1.00 0.00 H new ATOM 0 HA LEU A 69 1.950 -5.675 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.221 -2.846 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.762 -3.775 5.452 1.00 0.00 H new ATOM 0 HG LEU A 69 0.595 -4.986 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.286 -4.124 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.006 -4.793 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.173 -3.031 7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.749 -3.128 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.398 -1.967 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.933 -3.072 3.977 1.00 0.00 H new ATOM 1065 N LEU A 70 5.078 -4.762 6.913 1.00 0.00 N ATOM 1066 CA LEU A 70 6.382 -5.237 6.481 1.00 0.00 C ATOM 1067 C LEU A 70 6.717 -6.536 7.217 1.00 0.00 C ATOM 1068 O LEU A 70 6.737 -7.607 6.613 1.00 0.00 O ATOM 1069 CB LEU A 70 7.436 -4.141 6.657 1.00 0.00 C ATOM 1070 CG LEU A 70 8.833 -4.463 6.122 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.832 -3.370 6.505 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.292 -5.847 6.586 1.00 0.00 C ATOM 0 H LEU A 70 5.077 -3.823 7.312 1.00 0.00 H new ATOM 0 HA LEU A 70 6.370 -5.468 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.078 -3.238 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.519 -3.911 7.719 1.00 0.00 H new ATOM 0 HG LEU A 70 8.785 -4.488 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.817 -3.623 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.508 -2.418 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.884 -3.289 7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.288 -6.051 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.320 -5.875 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.596 -6.602 6.222 1.00 0.00 H new ATOM 1084 N GLN A 71 6.972 -6.397 8.510 1.00 0.00 N ATOM 1085 CA GLN A 71 7.304 -7.546 9.333 1.00 0.00 C ATOM 1086 C GLN A 71 6.371 -8.717 9.014 1.00 0.00 C ATOM 1087 O GLN A 71 6.767 -9.877 9.116 1.00 0.00 O ATOM 1088 CB GLN A 71 7.248 -7.190 10.820 1.00 0.00 C ATOM 1089 CG GLN A 71 7.999 -5.888 11.101 1.00 0.00 C ATOM 1090 CD GLN A 71 8.576 -5.882 12.518 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.250 -6.804 12.946 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.274 -4.794 13.220 1.00 0.00 N ATOM 0 H GLN A 71 6.955 -5.506 9.007 1.00 0.00 H new ATOM 0 HA GLN A 71 8.326 -7.849 9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.209 -7.090 11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.683 -7.999 11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.804 -5.765 10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.325 -5.041 10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.705 -4.059 12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.612 -4.695 14.177 1.00 0.00 H new ATOM 1101 N ALA A 72 5.150 -8.372 8.635 1.00 0.00 N ATOM 1102 CA ALA A 72 4.158 -9.379 8.299 1.00 0.00 C ATOM 1103 C ALA A 72 4.607 -10.134 7.047 1.00 0.00 C ATOM 1104 O ALA A 72 4.610 -11.364 7.026 1.00 0.00 O ATOM 1105 CB ALA A 72 2.793 -8.711 8.120 1.00 0.00 C ATOM 0 H ALA A 72 4.825 -7.409 8.553 1.00 0.00 H new ATOM 0 HA ALA A 72 4.062 -10.107 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.049 -9.466 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.507 -8.214 9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.850 -7.976 7.317 1.00 0.00 H new ATOM 1111 N VAL A 73 4.974 -9.366 6.031 1.00 0.00 N ATOM 1112 CA VAL A 73 5.424 -9.947 4.778 1.00 0.00 C ATOM 1113 C VAL A 73 6.643 -10.833 5.040 1.00 0.00 C ATOM 1114 O VAL A 73 6.686 -11.982 4.602 1.00 0.00 O ATOM 1115 CB VAL A 73 5.696 -8.841 3.757 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.784 -7.636 3.996 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.169 -8.426 3.778 1.00 0.00 C ATOM 0 H VAL A 73 4.969 -8.346 6.051 1.00 0.00 H new ATOM 0 HA VAL A 73 4.648 -10.582 4.350 1.00 0.00 H new ATOM 0 HB VAL A 73 5.473 -9.238 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.999 -6.865 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.742 -7.945 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.960 -7.239 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.336 -7.639 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.429 -8.057 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.793 -9.286 3.536 1.00 0.00 H new ATOM 1127 N ARG A 74 7.605 -10.265 5.752 1.00 0.00 N ATOM 1128 CA ARG A 74 8.822 -10.989 6.077 1.00 0.00 C ATOM 1129 C ARG A 74 8.504 -12.457 6.372 1.00 0.00 C ATOM 1130 O ARG A 74 9.329 -13.335 6.128 1.00 0.00 O ATOM 1131 CB ARG A 74 9.523 -10.373 7.289 1.00 0.00 C ATOM 1132 CG ARG A 74 9.839 -8.895 7.047 1.00 0.00 C ATOM 1133 CD ARG A 74 10.243 -8.654 5.591 1.00 0.00 C ATOM 1134 NE ARG A 74 11.450 -9.445 5.263 1.00 0.00 N ATOM 1135 CZ ARG A 74 12.140 -9.323 4.121 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.748 -8.441 3.192 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.223 -10.084 3.908 1.00 0.00 N ATOM 0 H ARG A 74 7.566 -9.312 6.113 1.00 0.00 H new ATOM 0 HA ARG A 74 9.486 -10.923 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.889 -10.474 8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.445 -10.917 7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.968 -8.288 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.645 -8.578 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.424 -8.932 4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.438 -7.594 5.430 1.00 0.00 H new ATOM 0 HE ARG A 74 11.777 -10.125 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.924 -7.862 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.274 -8.348 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.521 -10.756 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.748 -9.991 3.039 1.00 0.00 H new ATOM 1151 N ALA A 75 7.305 -12.676 6.895 1.00 0.00 N ATOM 1152 CA ALA A 75 6.868 -14.021 7.226 1.00 0.00 C ATOM 1153 C ALA A 75 6.320 -14.698 5.969 1.00 0.00 C ATOM 1154 O ALA A 75 6.714 -15.816 5.639 1.00 0.00 O ATOM 1155 CB ALA A 75 5.835 -13.959 8.353 1.00 0.00 C ATOM 0 H ALA A 75 6.624 -11.944 7.097 1.00 0.00 H new ATOM 0 HA ALA A 75 7.705 -14.620 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.507 -14.968 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.283 -13.496 9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.978 -13.368 8.029 1.00 0.00 H new ATOM 1161 N ASN A 76 5.417 -13.994 5.301 1.00 0.00 N ATOM 1162 CA ASN A 76 4.811 -14.513 4.087 1.00 0.00 C ATOM 1163 C ASN A 76 5.492 -13.882 2.871 1.00 0.00 C ATOM 1164 O ASN A 76 5.545 -12.659 2.751 1.00 0.00 O ATOM 1165 CB ASN A 76 3.321 -14.170 4.026 1.00 0.00 C ATOM 1166 CG ASN A 76 2.466 -15.439 4.038 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.948 -16.542 4.236 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.173 -15.221 3.816 1.00 0.00 N ATOM 0 H ASN A 76 5.091 -13.068 5.578 1.00 0.00 H new ATOM 0 HA ASN A 76 4.932 -15.596 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.054 -13.539 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.113 -13.595 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.519 -16.003 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.836 -14.272 3.657 1.00 0.00 H new ATOM 1175 N PRO A 77 6.010 -14.767 1.978 1.00 0.00 N ATOM 1176 CA PRO A 77 6.685 -14.309 0.776 1.00 0.00 C ATOM 1177 C PRO A 77 5.678 -13.801 -0.258 1.00 0.00 C ATOM 1178 O PRO A 77 6.051 -13.112 -1.206 1.00 0.00 O ATOM 1179 CB PRO A 77 7.481 -15.510 0.290 1.00 0.00 C ATOM 1180 CG PRO A 77 6.861 -16.722 0.967 1.00 0.00 C ATOM 1181 CD PRO A 77 5.965 -16.222 2.088 1.00 0.00 C ATOM 0 HA PRO A 77 7.343 -13.460 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.429 -15.600 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.535 -15.412 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.285 -17.307 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.637 -17.377 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.947 -16.596 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.324 -16.557 3.061 1.00 0.00 H new ATOM 1189 N ALA A 78 4.422 -14.161 -0.042 1.00 0.00 N ATOM 1190 CA ALA A 78 3.360 -13.751 -0.943 1.00 0.00 C ATOM 1191 C ALA A 78 3.250 -12.225 -0.934 1.00 0.00 C ATOM 1192 O ALA A 78 3.166 -11.598 -1.989 1.00 0.00 O ATOM 1193 CB ALA A 78 2.052 -14.431 -0.535 1.00 0.00 C ATOM 0 H ALA A 78 4.116 -14.733 0.745 1.00 0.00 H new ATOM 0 HA ALA A 78 3.583 -14.060 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.255 -14.123 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.173 -15.513 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.794 -14.142 0.484 1.00 0.00 H new ATOM 1199 N THR A 79 3.254 -11.670 0.270 1.00 0.00 N ATOM 1200 CA THR A 79 3.156 -10.229 0.430 1.00 0.00 C ATOM 1201 C THR A 79 4.549 -9.596 0.421 1.00 0.00 C ATOM 1202 O THR A 79 4.694 -8.412 0.120 1.00 0.00 O ATOM 1203 CB THR A 79 2.370 -9.949 1.713 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.854 -8.681 2.146 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.746 -10.899 2.850 1.00 0.00 C ATOM 0 H THR A 79 3.324 -12.192 1.143 1.00 0.00 H new ATOM 0 HA THR A 79 2.621 -9.773 -0.403 1.00 0.00 H new ATOM 0 HB THR A 79 1.302 -10.032 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.144 -8.207 2.627 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.159 -10.656 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.541 -11.926 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.807 -10.793 3.077 1.00 0.00 H new ATOM 1213 N LYS A 80 5.538 -10.413 0.754 1.00 0.00 N ATOM 1214 CA LYS A 80 6.914 -9.947 0.788 1.00 0.00 C ATOM 1215 C LYS A 80 7.308 -9.433 -0.598 1.00 0.00 C ATOM 1216 O LYS A 80 8.278 -8.690 -0.736 1.00 0.00 O ATOM 1217 CB LYS A 80 7.837 -11.043 1.323 1.00 0.00 C ATOM 1218 CG LYS A 80 8.585 -11.735 0.182 1.00 0.00 C ATOM 1219 CD LYS A 80 9.710 -10.848 -0.354 1.00 0.00 C ATOM 1220 CE LYS A 80 11.028 -11.622 -0.436 1.00 0.00 C ATOM 1221 NZ LYS A 80 12.162 -10.758 -0.040 1.00 0.00 N ATOM 0 H LYS A 80 5.414 -11.394 1.003 1.00 0.00 H new ATOM 0 HA LYS A 80 7.016 -9.111 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.553 -10.611 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.252 -11.777 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.999 -12.680 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.889 -11.972 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.443 -10.473 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.834 -9.980 0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.984 -12.496 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.179 -11.988 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.048 -11.299 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.212 -9.937 -0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.024 -10.430 0.937 1.00 0.00 H new ATOM 1235 N LYS A 81 6.535 -9.850 -1.590 1.00 0.00 N ATOM 1236 CA LYS A 81 6.792 -9.441 -2.961 1.00 0.00 C ATOM 1237 C LYS A 81 5.818 -8.326 -3.346 1.00 0.00 C ATOM 1238 O LYS A 81 5.917 -7.758 -4.433 1.00 0.00 O ATOM 1239 CB LYS A 81 6.744 -10.649 -3.898 1.00 0.00 C ATOM 1240 CG LYS A 81 5.366 -10.785 -4.548 1.00 0.00 C ATOM 1241 CD LYS A 81 5.255 -12.096 -5.329 1.00 0.00 C ATOM 1242 CE LYS A 81 4.048 -12.912 -4.860 1.00 0.00 C ATOM 1243 NZ LYS A 81 2.991 -12.915 -5.897 1.00 0.00 N ATOM 0 H LYS A 81 5.731 -10.466 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 81 7.798 -9.033 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.506 -10.545 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.978 -11.556 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.593 -10.748 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.191 -9.943 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.163 -11.883 -6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.166 -12.680 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.355 -13.935 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.656 -12.493 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.179 -13.473 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.686 -11.939 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.364 -13.336 -6.772 1.00 0.00 H new ATOM 1257 N ALA A 82 4.899 -8.044 -2.434 1.00 0.00 N ATOM 1258 CA ALA A 82 3.908 -7.007 -2.664 1.00 0.00 C ATOM 1259 C ALA A 82 4.387 -5.700 -2.029 1.00 0.00 C ATOM 1260 O ALA A 82 5.168 -5.718 -1.078 1.00 0.00 O ATOM 1261 CB ALA A 82 2.555 -7.461 -2.115 1.00 0.00 C ATOM 0 H ALA A 82 4.820 -8.516 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 82 3.782 -6.828 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.812 -6.682 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.246 -8.376 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.641 -7.649 -1.045 1.00 0.00 H new ATOM 1267 N ALA A 83 3.898 -4.598 -2.578 1.00 0.00 N ATOM 1268 CA ALA A 83 4.267 -3.285 -2.077 1.00 0.00 C ATOM 1269 C ALA A 83 3.165 -2.770 -1.149 1.00 0.00 C ATOM 1270 O ALA A 83 2.095 -3.370 -1.058 1.00 0.00 O ATOM 1271 CB ALA A 83 4.524 -2.342 -3.254 1.00 0.00 C ATOM 0 H ALA A 83 3.249 -4.587 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 83 5.188 -3.341 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.801 -1.357 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.334 -2.737 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.620 -2.259 -3.858 1.00 0.00 H new ATOM 1277 N PHE A 84 3.465 -1.666 -0.482 1.00 0.00 N ATOM 1278 CA PHE A 84 2.513 -1.064 0.436 1.00 0.00 C ATOM 1279 C PHE A 84 2.694 0.454 0.496 1.00 0.00 C ATOM 1280 O PHE A 84 3.818 0.947 0.578 1.00 0.00 O ATOM 1281 CB PHE A 84 2.792 -1.654 1.820 1.00 0.00 C ATOM 1282 CG PHE A 84 3.700 -2.886 1.799 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.181 -4.107 1.500 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.024 -2.761 2.082 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.022 -5.251 1.481 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.865 -3.904 2.063 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.347 -5.125 1.763 1.00 0.00 C ATOM 0 H PHE A 84 4.354 -1.172 -0.559 1.00 0.00 H new ATOM 0 HA PHE A 84 1.495 -1.269 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.251 -0.888 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.844 -1.921 2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.129 -4.207 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.436 -1.792 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.610 -6.221 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.917 -3.804 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.987 -5.995 1.749 1.00 0.00 H new ATOM 1297 N ILE A 85 1.569 1.154 0.452 1.00 0.00 N ATOM 1298 CA ILE A 85 1.588 2.606 0.500 1.00 0.00 C ATOM 1299 C ILE A 85 1.054 3.074 1.854 1.00 0.00 C ATOM 1300 O ILE A 85 0.019 2.597 2.317 1.00 0.00 O ATOM 1301 CB ILE A 85 0.834 3.192 -0.695 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.350 2.606 -2.011 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.893 4.720 -0.685 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.867 3.431 -3.206 1.00 0.00 C ATOM 0 H ILE A 85 0.638 0.742 0.384 1.00 0.00 H new ATOM 0 HA ILE A 85 2.610 2.976 0.415 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.215 2.910 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.440 2.580 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.008 1.576 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.349 5.111 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.439 5.096 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.932 5.044 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.248 2.993 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.223 3.435 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.231 4.454 -3.113 1.00 0.00 H new ATOM 1316 N ILE A 86 1.784 4.003 2.454 1.00 0.00 N ATOM 1317 CA ILE A 86 1.396 4.542 3.746 1.00 0.00 C ATOM 1318 C ILE A 86 1.345 6.069 3.664 1.00 0.00 C ATOM 1319 O ILE A 86 2.381 6.724 3.561 1.00 0.00 O ATOM 1320 CB ILE A 86 2.322 4.016 4.845 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.599 2.524 4.661 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.759 4.329 6.233 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.310 1.708 4.776 1.00 0.00 C ATOM 0 H ILE A 86 2.643 4.396 2.069 1.00 0.00 H new ATOM 0 HA ILE A 86 0.395 4.204 4.014 1.00 0.00 H new ATOM 0 HB ILE A 86 3.278 4.533 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.056 2.353 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.314 2.188 5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.436 3.944 6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.657 5.408 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.782 3.858 6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.536 0.650 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.868 1.862 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.606 2.029 4.008 1.00 0.00 H new ATOM 1335 N LEU A 87 0.128 6.592 3.712 1.00 0.00 N ATOM 1336 CA LEU A 87 -0.072 8.029 3.643 1.00 0.00 C ATOM 1337 C LEU A 87 -0.776 8.503 4.916 1.00 0.00 C ATOM 1338 O LEU A 87 -1.329 7.695 5.661 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.809 8.407 2.356 1.00 0.00 C ATOM 1340 CG LEU A 87 -2.330 8.527 2.465 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.948 7.225 2.980 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.725 9.728 3.326 1.00 0.00 C ATOM 0 H LEU A 87 -0.729 6.046 3.798 1.00 0.00 H new ATOM 0 HA LEU A 87 0.887 8.545 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.414 9.359 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.577 7.662 1.595 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.731 8.701 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.030 7.338 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.710 6.413 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.544 6.996 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.812 9.790 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.311 9.609 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.334 10.641 2.878 1.00 0.00 H new ATOM 1354 N THR A 88 -0.732 9.810 5.126 1.00 0.00 N ATOM 1355 CA THR A 88 -1.359 10.402 6.296 1.00 0.00 C ATOM 1356 C THR A 88 -2.061 11.708 5.922 1.00 0.00 C ATOM 1357 O THR A 88 -1.959 12.169 4.786 1.00 0.00 O ATOM 1358 CB THR A 88 -0.284 10.575 7.371 1.00 0.00 C ATOM 1359 OG1 THR A 88 -0.869 11.480 8.303 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.948 11.319 6.853 1.00 0.00 C ATOM 0 H THR A 88 -0.272 10.476 4.506 1.00 0.00 H new ATOM 0 HA THR A 88 -2.139 9.755 6.697 1.00 0.00 H new ATOM 0 HB THR A 88 0.015 9.596 7.747 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.240 11.647 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.679 11.415 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.388 10.762 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.656 12.311 6.508 1.00 0.00 H new ATOM 1368 N ALA A 89 -2.758 12.268 6.900 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.478 13.513 6.688 1.00 0.00 C ATOM 1370 C ALA A 89 -2.482 14.615 6.320 1.00 0.00 C ATOM 1371 O ALA A 89 -2.874 15.670 5.822 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.289 13.854 7.940 1.00 0.00 C ATOM 0 H ALA A 89 -2.840 11.883 7.841 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.182 13.414 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.829 14.788 7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.001 13.053 8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.616 13.964 8.790 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.213 14.333 6.579 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.160 15.288 6.281 1.00 0.00 C ATOM 1380 C GLN A 90 0.846 14.681 5.300 1.00 0.00 C ATOM 1381 O GLN A 90 0.698 14.823 4.087 1.00 0.00 O ATOM 1382 CB GLN A 90 0.536 15.753 7.561 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.363 16.694 8.365 1.00 0.00 C ATOM 1384 CD GLN A 90 0.405 17.939 8.814 1.00 0.00 C ATOM 1385 OE1 GLN A 90 1.266 17.891 9.676 1.00 0.00 O ATOM 1386 NE2 GLN A 90 0.047 19.053 8.182 1.00 0.00 N ATOM 0 H GLN A 90 -0.891 13.457 6.992 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.612 16.163 5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.800 14.888 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.467 16.261 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.219 16.990 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.755 16.171 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.682 19.023 7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.502 19.937 8.410 1.00 0.00 H new ATOM 1395 N GLY A 91 1.844 14.017 5.862 1.00 0.00 N ATOM 1396 CA GLY A 91 2.873 13.387 5.053 1.00 0.00 C ATOM 1397 C GLY A 91 4.097 13.032 5.899 1.00 0.00 C ATOM 1398 O GLY A 91 4.570 13.851 6.686 1.00 0.00 O ATOM 0 H GLY A 91 1.962 13.901 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.474 12.485 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.167 14.058 4.246 1.00 0.00 H new ATOM 1402 N ASP A 92 4.574 11.811 5.710 1.00 0.00 N ATOM 1403 CA ASP A 92 5.734 11.338 6.446 1.00 0.00 C ATOM 1404 C ASP A 92 6.614 10.498 5.519 1.00 0.00 C ATOM 1405 O ASP A 92 6.579 9.269 5.568 1.00 0.00 O ATOM 1406 CB ASP A 92 5.316 10.458 7.626 1.00 0.00 C ATOM 1407 CG ASP A 92 4.383 11.130 8.636 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.282 12.374 8.574 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.792 10.384 9.446 1.00 0.00 O ATOM 0 H ASP A 92 4.178 11.134 5.057 1.00 0.00 H new ATOM 0 HA ASP A 92 6.275 12.208 6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.825 9.566 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.213 10.126 8.148 1.00 0.00 H new ATOM 1414 N ARG A 93 7.384 11.193 4.695 1.00 0.00 N ATOM 1415 CA ARG A 93 8.271 10.528 3.758 1.00 0.00 C ATOM 1416 C ARG A 93 9.263 9.636 4.508 1.00 0.00 C ATOM 1417 O ARG A 93 9.549 8.519 4.077 1.00 0.00 O ATOM 1418 CB ARG A 93 9.046 11.543 2.915 1.00 0.00 C ATOM 1419 CG ARG A 93 8.117 12.263 1.934 1.00 0.00 C ATOM 1420 CD ARG A 93 8.695 13.620 1.528 1.00 0.00 C ATOM 1421 NE ARG A 93 7.685 14.683 1.737 1.00 0.00 N ATOM 1422 CZ ARG A 93 7.373 15.197 2.934 1.00 0.00 C ATOM 1423 NH1 ARG A 93 7.989 14.750 4.037 1.00 0.00 N ATOM 1424 NH2 ARG A 93 6.445 16.158 3.029 1.00 0.00 N ATOM 0 H ARG A 93 7.411 12.212 4.657 1.00 0.00 H new ATOM 0 HA ARG A 93 7.656 9.918 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.527 12.272 3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.839 11.035 2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.970 11.646 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.137 12.403 2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.588 13.835 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.999 13.597 0.482 1.00 0.00 H new ATOM 0 HE ARG A 93 7.197 15.046 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.696 14.018 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.751 15.142 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.976 16.499 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.207 16.549 3.941 1.00 0.00 H new ATOM 1438 N ALA A 94 9.761 10.163 5.618 1.00 0.00 N ATOM 1439 CA ALA A 94 10.715 9.429 6.431 1.00 0.00 C ATOM 1440 C ALA A 94 10.060 8.143 6.941 1.00 0.00 C ATOM 1441 O ALA A 94 10.700 7.094 6.992 1.00 0.00 O ATOM 1442 CB ALA A 94 11.209 10.322 7.570 1.00 0.00 C ATOM 0 H ALA A 94 9.521 11.089 5.972 1.00 0.00 H new ATOM 0 HA ALA A 94 11.585 9.145 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.925 9.771 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.691 11.207 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.364 10.625 8.188 1.00 0.00 H new ATOM 1448 N LEU A 95 8.793 8.267 7.307 1.00 0.00 N ATOM 1449 CA LEU A 95 8.044 7.128 7.812 1.00 0.00 C ATOM 1450 C LEU A 95 8.006 6.035 6.742 1.00 0.00 C ATOM 1451 O LEU A 95 8.287 4.872 7.027 1.00 0.00 O ATOM 1452 CB LEU A 95 6.660 7.567 8.294 1.00 0.00 C ATOM 1453 CG LEU A 95 6.614 8.272 9.650 1.00 0.00 C ATOM 1454 CD1 LEU A 95 6.405 7.266 10.783 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.864 9.128 9.866 1.00 0.00 C ATOM 0 H LEU A 95 8.265 9.139 7.264 1.00 0.00 H new ATOM 0 HA LEU A 95 8.539 6.703 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.231 8.234 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.018 6.687 8.342 1.00 0.00 H new ATOM 0 HG LEU A 95 5.758 8.946 9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.376 7.793 11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.464 6.738 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.226 6.549 10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.806 9.618 10.838 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.750 8.494 9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.928 9.883 9.082 1.00 0.00 H new ATOM 1467 N VAL A 96 7.655 6.447 5.532 1.00 0.00 N ATOM 1468 CA VAL A 96 7.576 5.517 4.419 1.00 0.00 C ATOM 1469 C VAL A 96 8.966 4.947 4.136 1.00 0.00 C ATOM 1470 O VAL A 96 9.180 3.739 4.240 1.00 0.00 O ATOM 1471 CB VAL A 96 6.955 6.208 3.203 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.630 5.751 1.908 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.445 5.970 3.149 1.00 0.00 C ATOM 0 H VAL A 96 7.422 7.412 5.299 1.00 0.00 H new ATOM 0 HA VAL A 96 6.925 4.679 4.668 1.00 0.00 H new ATOM 0 HB VAL A 96 7.121 7.280 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.170 6.257 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.691 5.996 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.510 4.673 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.029 6.472 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.247 4.900 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.981 6.368 4.052 1.00 0.00 H new ATOM 1483 N GLN A 97 9.879 5.841 3.785 1.00 0.00 N ATOM 1484 CA GLN A 97 11.243 5.441 3.487 1.00 0.00 C ATOM 1485 C GLN A 97 11.787 4.543 4.599 1.00 0.00 C ATOM 1486 O GLN A 97 12.653 3.702 4.354 1.00 0.00 O ATOM 1487 CB GLN A 97 12.139 6.664 3.282 1.00 0.00 C ATOM 1488 CG GLN A 97 11.741 7.432 2.020 1.00 0.00 C ATOM 1489 CD GLN A 97 12.943 7.620 1.091 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.353 8.727 0.782 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.480 6.482 0.665 1.00 0.00 N ATOM 0 H GLN A 97 9.700 6.842 3.700 1.00 0.00 H new ATOM 0 HA GLN A 97 11.240 4.873 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.067 7.321 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.179 6.348 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.952 6.893 1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.334 8.405 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.086 5.589 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.286 6.501 0.040 1.00 0.00 H new ATOM 1500 N LYS A 98 11.259 4.750 5.796 1.00 0.00 N ATOM 1501 CA LYS A 98 11.682 3.968 6.946 1.00 0.00 C ATOM 1502 C LYS A 98 11.198 2.526 6.783 1.00 0.00 C ATOM 1503 O LYS A 98 11.985 1.587 6.893 1.00 0.00 O ATOM 1504 CB LYS A 98 11.216 4.630 8.244 1.00 0.00 C ATOM 1505 CG LYS A 98 12.286 5.574 8.794 1.00 0.00 C ATOM 1506 CD LYS A 98 11.694 6.535 9.826 1.00 0.00 C ATOM 1507 CE LYS A 98 12.686 6.803 10.959 1.00 0.00 C ATOM 1508 NZ LYS A 98 12.827 5.608 11.819 1.00 0.00 N ATOM 0 H LYS A 98 10.542 5.448 5.995 1.00 0.00 H new ATOM 0 HA LYS A 98 12.770 3.934 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.295 5.185 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.986 3.864 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.088 4.994 9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.730 6.142 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.427 7.474 9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.775 6.114 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.656 7.076 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.345 7.649 11.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.182 5.893 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.901 5.146 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.497 4.943 11.382 1.00 0.00 H new ATOM 1522 N ALA A 99 9.906 2.395 6.523 1.00 0.00 N ATOM 1523 CA ALA A 99 9.307 1.083 6.343 1.00 0.00 C ATOM 1524 C ALA A 99 10.126 0.289 5.323 1.00 0.00 C ATOM 1525 O ALA A 99 10.598 -0.808 5.619 1.00 0.00 O ATOM 1526 CB ALA A 99 7.845 1.242 5.920 1.00 0.00 C ATOM 0 H ALA A 99 9.256 3.176 6.433 1.00 0.00 H new ATOM 0 HA ALA A 99 9.316 0.525 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.396 0.258 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.300 1.787 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.796 1.795 4.982 1.00 0.00 H new ATOM 1532 N ALA A 100 10.271 0.875 4.143 1.00 0.00 N ATOM 1533 CA ALA A 100 11.024 0.236 3.077 1.00 0.00 C ATOM 1534 C ALA A 100 12.436 -0.078 3.575 1.00 0.00 C ATOM 1535 O ALA A 100 13.009 -1.107 3.220 1.00 0.00 O ATOM 1536 CB ALA A 100 11.028 1.140 1.842 1.00 0.00 C ATOM 0 H ALA A 100 9.880 1.786 3.902 1.00 0.00 H new ATOM 0 HA ALA A 100 10.559 -0.707 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.593 0.661 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.003 1.309 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.491 2.095 2.091 1.00 0.00 H new ATOM 1542 N ALA A 101 12.957 0.827 4.391 1.00 0.00 N ATOM 1543 CA ALA A 101 14.292 0.659 4.941 1.00 0.00 C ATOM 1544 C ALA A 101 14.309 -0.564 5.861 1.00 0.00 C ATOM 1545 O ALA A 101 15.141 -1.455 5.700 1.00 0.00 O ATOM 1546 CB ALA A 101 14.710 1.939 5.665 1.00 0.00 C ATOM 0 H ALA A 101 12.479 1.679 4.685 1.00 0.00 H new ATOM 0 HA ALA A 101 15.016 0.483 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.711 1.813 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.709 2.772 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.008 2.146 6.473 1.00 0.00 H new ATOM 1552 N LEU A 102 13.380 -0.566 6.807 1.00 0.00 N ATOM 1553 CA LEU A 102 13.278 -1.664 7.753 1.00 0.00 C ATOM 1554 C LEU A 102 13.526 -2.985 7.023 1.00 0.00 C ATOM 1555 O LEU A 102 14.433 -3.735 7.381 1.00 0.00 O ATOM 1556 CB LEU A 102 11.940 -1.612 8.492 1.00 0.00 C ATOM 1557 CG LEU A 102 11.349 -0.217 8.712 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.131 -0.278 9.635 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.413 0.754 9.230 1.00 0.00 C ATOM 0 H LEU A 102 12.692 0.175 6.938 1.00 0.00 H new ATOM 0 HA LEU A 102 14.045 -1.576 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.217 -2.208 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.065 -2.089 9.464 1.00 0.00 H new ATOM 0 HG LEU A 102 11.006 0.165 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.730 0.726 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.367 -0.915 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.426 -0.689 10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.967 1.738 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.808 0.389 10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.222 0.828 8.504 1.00 0.00 H new ATOM 1571 N GLY A 103 12.705 -3.230 6.012 1.00 0.00 N ATOM 1572 CA GLY A 103 12.824 -4.447 5.228 1.00 0.00 C ATOM 1573 C GLY A 103 11.552 -4.703 4.417 1.00 0.00 C ATOM 1574 O GLY A 103 11.066 -5.831 4.357 1.00 0.00 O ATOM 0 H GLY A 103 11.954 -2.605 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.679 -4.369 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.015 -5.293 5.889 1.00 0.00 H new ATOM 1578 N ALA A 104 11.050 -3.637 3.811 1.00 0.00 N ATOM 1579 CA ALA A 104 9.843 -3.732 3.007 1.00 0.00 C ATOM 1580 C ALA A 104 10.229 -3.914 1.538 1.00 0.00 C ATOM 1581 O ALA A 104 11.316 -3.512 1.123 1.00 0.00 O ATOM 1582 CB ALA A 104 8.980 -2.490 3.233 1.00 0.00 C ATOM 0 H ALA A 104 11.457 -2.703 3.861 1.00 0.00 H new ATOM 0 HA ALA A 104 9.251 -4.598 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.075 -2.561 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.710 -2.422 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.540 -1.601 2.944 1.00 0.00 H new ATOM 1588 N ASN A 105 9.319 -4.521 0.790 1.00 0.00 N ATOM 1589 CA ASN A 105 9.551 -4.761 -0.623 1.00 0.00 C ATOM 1590 C ASN A 105 9.463 -3.436 -1.383 1.00 0.00 C ATOM 1591 O ASN A 105 10.351 -3.107 -2.169 1.00 0.00 O ATOM 1592 CB ASN A 105 8.496 -5.706 -1.202 1.00 0.00 C ATOM 1593 CG ASN A 105 8.969 -6.313 -2.525 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.543 -7.388 -2.574 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.697 -5.566 -3.590 1.00 0.00 N ATOM 0 H ASN A 105 8.419 -4.854 1.137 1.00 0.00 H new ATOM 0 HA ASN A 105 10.538 -5.211 -0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.285 -6.502 -0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.564 -5.163 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.972 -5.884 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.213 -4.675 -3.478 1.00 0.00 H new ATOM 1602 N ASN A 106 8.386 -2.710 -1.121 1.00 0.00 N ATOM 1603 CA ASN A 106 8.172 -1.428 -1.770 1.00 0.00 C ATOM 1604 C ASN A 106 7.064 -0.669 -1.037 1.00 0.00 C ATOM 1605 O ASN A 106 5.910 -1.096 -1.037 1.00 0.00 O ATOM 1606 CB ASN A 106 7.736 -1.612 -3.224 1.00 0.00 C ATOM 1607 CG ASN A 106 8.847 -1.188 -4.187 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.766 -0.466 -3.837 1.00 0.00 O ATOM 1609 ND2 ASN A 106 8.714 -1.678 -5.417 1.00 0.00 N ATOM 0 H ASN A 106 7.652 -2.985 -0.468 1.00 0.00 H new ATOM 0 HA ASN A 106 9.111 -0.876 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.476 -2.656 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.839 -1.023 -3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.406 -1.455 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.920 -2.277 -5.644 1.00 0.00 H new ATOM 1616 N VAL A 107 7.452 0.442 -0.431 1.00 0.00 N ATOM 1617 CA VAL A 107 6.506 1.265 0.305 1.00 0.00 C ATOM 1618 C VAL A 107 6.591 2.707 -0.199 1.00 0.00 C ATOM 1619 O VAL A 107 7.678 3.277 -0.277 1.00 0.00 O ATOM 1620 CB VAL A 107 6.761 1.140 1.808 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.198 1.537 2.155 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.755 1.970 2.605 1.00 0.00 C ATOM 0 H VAL A 107 8.410 0.793 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 107 5.486 0.921 0.133 1.00 0.00 H new ATOM 0 HB VAL A 107 6.626 0.094 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.353 1.439 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.893 0.884 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.372 2.571 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.958 1.864 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.843 3.019 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.745 1.620 2.392 1.00 0.00 H new ATOM 1632 N LEU A 108 5.431 3.255 -0.526 1.00 0.00 N ATOM 1633 CA LEU A 108 5.361 4.621 -1.019 1.00 0.00 C ATOM 1634 C LEU A 108 4.448 5.441 -0.106 1.00 0.00 C ATOM 1635 O LEU A 108 3.520 4.904 0.496 1.00 0.00 O ATOM 1636 CB LEU A 108 4.937 4.639 -2.489 1.00 0.00 C ATOM 1637 CG LEU A 108 6.025 4.285 -3.505 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.349 4.966 -3.150 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.179 2.769 -3.640 1.00 0.00 C ATOM 0 H LEU A 108 4.531 2.779 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 108 6.346 5.088 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.108 3.942 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.557 5.633 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 108 5.718 4.665 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.105 4.698 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.213 6.047 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.673 4.638 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.959 2.546 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.452 2.344 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.236 2.336 -3.974 1.00 0.00 H new ATOM 1651 N ALA A 109 4.744 6.731 -0.032 1.00 0.00 N ATOM 1652 CA ALA A 109 3.962 7.632 0.797 1.00 0.00 C ATOM 1653 C ALA A 109 3.165 8.582 -0.100 1.00 0.00 C ATOM 1654 O ALA A 109 3.360 8.604 -1.314 1.00 0.00 O ATOM 1655 CB ALA A 109 4.890 8.378 1.758 1.00 0.00 C ATOM 0 H ALA A 109 5.515 7.173 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 109 3.248 7.073 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.303 9.054 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.410 7.660 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.620 8.952 1.187 1.00 0.00 H new ATOM 1661 N LYS A 110 2.285 9.344 0.534 1.00 0.00 N ATOM 1662 CA LYS A 110 1.459 10.293 -0.192 1.00 0.00 C ATOM 1663 C LYS A 110 1.476 11.638 0.536 1.00 0.00 C ATOM 1664 O LYS A 110 0.452 12.080 1.056 1.00 0.00 O ATOM 1665 CB LYS A 110 0.054 9.727 -0.405 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.406 9.930 -1.850 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.917 9.724 -1.979 1.00 0.00 C ATOM 1668 CE LYS A 110 -2.644 11.064 -2.105 1.00 0.00 C ATOM 1669 NZ LYS A 110 -4.104 10.878 -1.954 1.00 0.00 N ATOM 0 H LYS A 110 2.127 9.323 1.541 1.00 0.00 H new ATOM 0 HA LYS A 110 1.863 10.465 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.046 8.664 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.645 10.214 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.143 10.934 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.117 9.232 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.130 9.107 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.290 9.184 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.279 11.755 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.427 11.512 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.582 11.797 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.450 10.235 -2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.307 10.471 -1.019 1.00 0.00 H new ATOM 1683 N PRO A 111 2.681 12.269 0.552 1.00 0.00 N ATOM 1684 CA PRO A 111 2.845 13.555 1.208 1.00 0.00 C ATOM 1685 C PRO A 111 2.228 14.678 0.373 1.00 0.00 C ATOM 1686 O PRO A 111 1.394 14.426 -0.495 1.00 0.00 O ATOM 1687 CB PRO A 111 4.344 13.711 1.399 1.00 0.00 C ATOM 1688 CG PRO A 111 4.992 12.731 0.434 1.00 0.00 C ATOM 1689 CD PRO A 111 3.915 11.776 -0.053 1.00 0.00 C ATOM 0 HA PRO A 111 2.328 13.608 2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.660 14.733 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.631 13.494 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.440 13.262 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.794 12.182 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.850 11.775 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.125 10.752 0.255 1.00 0.00 H new ATOM 1697 N PHE A 112 2.664 15.896 0.664 1.00 0.00 N ATOM 1698 CA PHE A 112 2.166 17.059 -0.049 1.00 0.00 C ATOM 1699 C PHE A 112 3.067 17.403 -1.237 1.00 0.00 C ATOM 1700 O PHE A 112 3.043 18.527 -1.736 1.00 0.00 O ATOM 1701 CB PHE A 112 2.177 18.229 0.938 1.00 0.00 C ATOM 1702 CG PHE A 112 0.835 18.469 1.632 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.202 19.012 0.939 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.678 18.140 2.943 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.446 19.236 1.583 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.568 18.364 3.587 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.603 18.907 2.893 1.00 0.00 C ATOM 0 H PHE A 112 3.357 16.101 1.384 1.00 0.00 H new ATOM 0 HA PHE A 112 1.165 16.858 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.939 18.045 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.468 19.136 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.078 19.273 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.501 17.709 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.269 19.668 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.693 18.103 4.628 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.551 19.077 3.382 1.00 0.00 H new ATOM 1717 N THR A 113 3.843 16.413 -1.656 1.00 0.00 N ATOM 1718 CA THR A 113 4.751 16.595 -2.775 1.00 0.00 C ATOM 1719 C THR A 113 4.463 15.564 -3.869 1.00 0.00 C ATOM 1720 O THR A 113 4.944 14.434 -3.803 1.00 0.00 O ATOM 1721 CB THR A 113 6.182 16.529 -2.238 1.00 0.00 C ATOM 1722 OG1 THR A 113 6.976 16.293 -3.398 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.424 15.297 -1.365 1.00 0.00 C ATOM 0 H THR A 113 3.861 15.482 -1.240 1.00 0.00 H new ATOM 0 HA THR A 113 4.610 17.568 -3.245 1.00 0.00 H new ATOM 0 HB THR A 113 6.396 17.429 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.920 16.238 -3.142 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.455 15.299 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.746 15.317 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.244 14.395 -1.950 1.00 0.00 H new ATOM 1731 N ILE A 114 3.679 15.991 -4.848 1.00 0.00 N ATOM 1732 CA ILE A 114 3.322 15.118 -5.953 1.00 0.00 C ATOM 1733 C ILE A 114 4.593 14.503 -6.544 1.00 0.00 C ATOM 1734 O ILE A 114 4.550 13.419 -7.125 1.00 0.00 O ATOM 1735 CB ILE A 114 2.471 15.873 -6.978 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.282 16.979 -7.655 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.190 16.410 -6.337 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.499 16.671 -9.138 1.00 0.00 C ATOM 0 H ILE A 114 3.281 16.929 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 114 2.702 14.293 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 114 2.171 15.172 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.763 17.932 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.246 17.085 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.604 16.942 -7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.605 15.580 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.447 17.092 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.078 17.473 -9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.040 15.730 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.534 16.590 -9.638 1.00 0.00 H new ATOM 1750 N GLU A 115 5.693 15.221 -6.375 1.00 0.00 N ATOM 1751 CA GLU A 115 6.974 14.760 -6.883 1.00 0.00 C ATOM 1752 C GLU A 115 7.398 13.477 -6.165 1.00 0.00 C ATOM 1753 O GLU A 115 7.917 12.553 -6.791 1.00 0.00 O ATOM 1754 CB GLU A 115 8.042 15.845 -6.744 1.00 0.00 C ATOM 1755 CG GLU A 115 9.000 15.829 -7.937 1.00 0.00 C ATOM 1756 CD GLU A 115 9.980 17.002 -7.872 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.771 17.027 -6.904 1.00 0.00 O ATOM 1758 OE2 GLU A 115 9.914 17.848 -8.789 1.00 0.00 O ATOM 0 H GLU A 115 5.724 16.119 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 115 6.864 14.540 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.565 16.822 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.602 15.693 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.553 14.890 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.431 15.878 -8.865 1.00 0.00 H new ATOM 1765 N LYS A 116 7.164 13.460 -4.861 1.00 0.00 N ATOM 1766 CA LYS A 116 7.516 12.307 -4.051 1.00 0.00 C ATOM 1767 C LYS A 116 6.501 11.188 -4.297 1.00 0.00 C ATOM 1768 O LYS A 116 6.873 10.083 -4.689 1.00 0.00 O ATOM 1769 CB LYS A 116 7.647 12.705 -2.581 1.00 0.00 C ATOM 1770 CG LYS A 116 8.767 11.917 -1.897 1.00 0.00 C ATOM 1771 CD LYS A 116 10.138 12.344 -2.423 1.00 0.00 C ATOM 1772 CE LYS A 116 11.099 12.645 -1.271 1.00 0.00 C ATOM 1773 NZ LYS A 116 11.092 14.091 -0.956 1.00 0.00 N ATOM 0 H LYS A 116 6.734 14.228 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 116 8.493 11.922 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.851 13.773 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.703 12.524 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.722 12.075 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.624 10.850 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.553 11.555 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.031 13.228 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.810 12.073 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.107 12.330 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.331 14.229 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.793 14.579 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.147 14.483 -1.143 1.00 0.00 H new ATOM 1787 N MET A 117 5.239 11.514 -4.058 1.00 0.00 N ATOM 1788 CA MET A 117 4.168 10.551 -4.248 1.00 0.00 C ATOM 1789 C MET A 117 4.184 9.988 -5.671 1.00 0.00 C ATOM 1790 O MET A 117 4.215 8.773 -5.862 1.00 0.00 O ATOM 1791 CB MET A 117 2.821 11.224 -3.979 1.00 0.00 C ATOM 1792 CG MET A 117 1.668 10.376 -4.519 1.00 0.00 C ATOM 1793 SD MET A 117 1.283 10.863 -6.193 1.00 0.00 S ATOM 1794 CE MET A 117 0.029 12.094 -5.877 1.00 0.00 C ATOM 0 H MET A 117 4.934 12.432 -3.734 1.00 0.00 H new ATOM 0 HA MET A 117 4.317 9.727 -3.550 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.694 11.377 -2.907 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.803 12.209 -4.446 1.00 0.00 H new ATOM 0 HG2 MET A 117 1.938 9.320 -4.492 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.789 10.496 -3.885 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.324 12.505 -6.823 1.00 0.00 H new ATOM 0 HE2 MET A 117 -0.805 11.636 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 117 0.450 12.895 -5.269 1.00 0.00 H new ATOM 1804 N LYS A 118 4.160 10.898 -6.633 1.00 0.00 N ATOM 1805 CA LYS A 118 4.171 10.508 -8.033 1.00 0.00 C ATOM 1806 C LYS A 118 5.414 9.659 -8.311 1.00 0.00 C ATOM 1807 O LYS A 118 5.302 8.517 -8.755 1.00 0.00 O ATOM 1808 CB LYS A 118 4.053 11.740 -8.932 1.00 0.00 C ATOM 1809 CG LYS A 118 3.691 11.340 -10.365 1.00 0.00 C ATOM 1810 CD LYS A 118 2.768 12.377 -11.006 1.00 0.00 C ATOM 1811 CE LYS A 118 3.318 12.839 -12.358 1.00 0.00 C ATOM 1812 NZ LYS A 118 2.600 12.170 -13.465 1.00 0.00 N ATOM 0 H LYS A 118 4.133 11.905 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 118 3.304 9.889 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.293 12.413 -8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.995 12.288 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.599 11.240 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.203 10.365 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 118 1.774 11.951 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 118 2.660 13.234 -10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.213 13.920 -12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.383 12.615 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.985 12.494 -14.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.721 11.140 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 1.588 12.404 -13.414 1.00 0.00 H new ATOM 1826 N ALA A 119 6.568 10.249 -8.040 1.00 0.00 N ATOM 1827 CA ALA A 119 7.829 9.562 -8.256 1.00 0.00 C ATOM 1828 C ALA A 119 7.827 8.246 -7.477 1.00 0.00 C ATOM 1829 O ALA A 119 8.371 7.244 -7.940 1.00 0.00 O ATOM 1830 CB ALA A 119 8.987 10.478 -7.851 1.00 0.00 C ATOM 0 H ALA A 119 6.656 11.196 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 119 7.959 9.321 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 119 9.933 9.962 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.961 11.386 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.893 10.740 -6.797 1.00 0.00 H new ATOM 1836 N ALA A 120 7.210 8.289 -6.305 1.00 0.00 N ATOM 1837 CA ALA A 120 7.131 7.112 -5.456 1.00 0.00 C ATOM 1838 C ALA A 120 6.491 5.966 -6.242 1.00 0.00 C ATOM 1839 O ALA A 120 7.070 4.885 -6.349 1.00 0.00 O ATOM 1840 CB ALA A 120 6.354 7.452 -4.183 1.00 0.00 C ATOM 0 H ALA A 120 6.760 9.121 -5.923 1.00 0.00 H new ATOM 0 HA ALA A 120 8.127 6.789 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.295 6.569 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.865 8.252 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.348 7.777 -4.447 1.00 0.00 H new ATOM 1846 N ILE A 121 5.308 6.239 -6.769 1.00 0.00 N ATOM 1847 CA ILE A 121 4.583 5.244 -7.541 1.00 0.00 C ATOM 1848 C ILE A 121 5.467 4.756 -8.692 1.00 0.00 C ATOM 1849 O ILE A 121 5.524 3.559 -8.970 1.00 0.00 O ATOM 1850 CB ILE A 121 3.231 5.797 -7.995 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.272 6.203 -9.470 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.781 6.949 -7.096 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.871 6.537 -9.986 1.00 0.00 C ATOM 0 H ILE A 121 4.832 7.136 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 121 4.353 4.376 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 121 2.488 5.005 -7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.925 7.067 -9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.698 5.393 -10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.817 7.324 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.687 6.594 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.518 7.751 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.929 6.822 -11.036 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.227 5.664 -9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.458 7.363 -9.408 1.00 0.00 H new ATOM 1865 N GLU A 122 6.131 5.708 -9.329 1.00 0.00 N ATOM 1866 CA GLU A 122 7.009 5.390 -10.444 1.00 0.00 C ATOM 1867 C GLU A 122 8.057 4.361 -10.017 1.00 0.00 C ATOM 1868 O GLU A 122 8.646 3.684 -10.859 1.00 0.00 O ATOM 1869 CB GLU A 122 7.673 6.653 -10.995 1.00 0.00 C ATOM 1870 CG GLU A 122 6.631 7.619 -11.560 1.00 0.00 C ATOM 1871 CD GLU A 122 7.246 8.526 -12.629 1.00 0.00 C ATOM 1872 OE1 GLU A 122 7.875 7.967 -13.553 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.072 9.757 -12.497 1.00 0.00 O ATOM 0 H GLU A 122 6.080 6.700 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 122 6.408 4.957 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.239 7.145 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.385 6.383 -11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.802 7.055 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.220 8.227 -10.755 1.00 0.00 H new ATOM 1880 N ALA A 123 8.257 4.273 -8.711 1.00 0.00 N ATOM 1881 CA ALA A 123 9.223 3.337 -8.162 1.00 0.00 C ATOM 1882 C ALA A 123 8.534 1.999 -7.891 1.00 0.00 C ATOM 1883 O ALA A 123 9.103 0.940 -8.149 1.00 0.00 O ATOM 1884 CB ALA A 123 9.854 3.933 -6.903 1.00 0.00 C ATOM 0 H ALA A 123 7.766 4.835 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 123 10.027 3.155 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.579 3.230 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.357 4.867 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.077 4.127 -6.164 1.00 0.00 H new ATOM 1890 N VAL A 124 7.318 2.090 -7.374 1.00 0.00 N ATOM 1891 CA VAL A 124 6.545 0.899 -7.064 1.00 0.00 C ATOM 1892 C VAL A 124 6.232 0.149 -8.361 1.00 0.00 C ATOM 1893 O VAL A 124 6.110 -1.075 -8.360 1.00 0.00 O ATOM 1894 CB VAL A 124 5.290 1.280 -6.276 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.064 1.333 -7.190 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.062 0.317 -5.109 1.00 0.00 C ATOM 0 H VAL A 124 6.848 2.970 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 124 7.119 0.225 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 124 5.444 2.277 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.186 1.606 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.225 2.076 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.907 0.355 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.164 0.610 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.940 -0.696 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.920 0.350 -4.437 1.00 0.00 H new ATOM 1906 N PHE A 125 6.109 0.915 -9.436 1.00 0.00 N ATOM 1907 CA PHE A 125 5.813 0.338 -10.736 1.00 0.00 C ATOM 1908 C PHE A 125 7.099 0.028 -11.504 1.00 0.00 C ATOM 1909 O PHE A 125 7.205 -1.014 -12.149 1.00 0.00 O ATOM 1910 CB PHE A 125 5.007 1.381 -11.514 1.00 0.00 C ATOM 1911 CG PHE A 125 3.642 1.698 -10.899 1.00 0.00 C ATOM 1912 CD1 PHE A 125 2.715 0.713 -10.755 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.356 2.965 -10.496 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.449 1.007 -10.184 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.090 3.259 -9.926 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.163 2.275 -9.782 1.00 0.00 C ATOM 0 H PHE A 125 6.209 1.930 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 125 5.262 -0.594 -10.613 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.588 2.301 -11.577 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.861 1.025 -12.534 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.942 -0.293 -11.075 1.00 0.00 H new ATOM 0 HD2 PHE A 125 4.092 3.747 -10.610 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.713 0.225 -10.069 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.863 4.265 -9.606 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.200 2.500 -9.349 1.00 0.00 H new ATOM 1926 N GLY A 126 8.044 0.951 -11.411 1.00 0.00 N ATOM 1927 CA GLY A 126 9.319 0.790 -12.089 1.00 0.00 C ATOM 1928 C GLY A 126 10.345 0.119 -11.174 1.00 0.00 C ATOM 1929 O GLY A 126 10.996 -0.847 -11.567 1.00 0.00 O ATOM 0 H GLY A 126 7.952 1.814 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.183 0.191 -12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.692 1.764 -12.407 1.00 0.00 H new ATOM 1933 N ALA A 127 10.459 0.660 -9.969 1.00 0.00 N ATOM 1934 CA ALA A 127 11.396 0.127 -8.996 1.00 0.00 C ATOM 1935 C ALA A 127 10.822 -1.156 -8.393 1.00 0.00 C ATOM 1936 O ALA A 127 9.987 -1.104 -7.490 1.00 0.00 O ATOM 1937 CB ALA A 127 11.689 1.189 -7.934 1.00 0.00 C ATOM 0 H ALA A 127 9.918 1.462 -9.645 1.00 0.00 H new ATOM 0 HA ALA A 127 12.342 -0.127 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.392 0.789 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 127 12.121 2.069 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 127 10.762 1.466 -7.431 1.00 0.00 H new ATOM 1943 N LEU A 128 11.293 -2.279 -8.915 1.00 0.00 N ATOM 1944 CA LEU A 128 10.837 -3.575 -8.439 1.00 0.00 C ATOM 1945 C LEU A 128 11.125 -3.694 -6.942 1.00 0.00 C ATOM 1946 O LEU A 128 10.202 -3.727 -6.129 1.00 0.00 O ATOM 1947 CB LEU A 128 11.453 -4.699 -9.275 1.00 0.00 C ATOM 1948 CG LEU A 128 11.785 -4.350 -10.727 1.00 0.00 C ATOM 1949 CD1 LEU A 128 12.210 -5.597 -11.506 1.00 0.00 C ATOM 1950 CD2 LEU A 128 10.617 -3.626 -11.398 1.00 0.00 C ATOM 0 H LEU A 128 11.986 -2.319 -9.663 1.00 0.00 H new ATOM 0 HA LEU A 128 9.758 -3.669 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 128 12.368 -5.031 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.765 -5.545 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 128 12.632 -3.664 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 128 12.441 -5.322 -12.535 1.00 0.00 H new ATOM 0 HD12 LEU A 128 13.094 -6.033 -11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.399 -6.325 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.880 -3.390 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.736 -4.268 -11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.402 -2.704 -10.858 1.00 0.00 H new ATOM 1962 N LYS A 129 12.409 -3.754 -6.621 1.00 0.00 N ATOM 1963 CA LYS A 129 12.831 -3.868 -5.235 1.00 0.00 C ATOM 1964 C LYS A 129 12.330 -2.652 -4.453 1.00 0.00 C ATOM 1965 O LYS A 129 11.125 -2.432 -4.344 1.00 0.00 O ATOM 1966 CB LYS A 129 14.344 -4.073 -5.150 1.00 0.00 C ATOM 1967 CG LYS A 129 14.800 -4.200 -3.695 1.00 0.00 C ATOM 1968 CD LYS A 129 14.930 -2.824 -3.039 1.00 0.00 C ATOM 1969 CE LYS A 129 16.377 -2.547 -2.627 1.00 0.00 C ATOM 1970 NZ LYS A 129 16.474 -1.258 -1.907 1.00 0.00 N ATOM 0 H LYS A 129 13.172 -3.726 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 129 12.388 -4.750 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.624 -4.970 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 129 14.855 -3.235 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.086 -4.806 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.758 -4.718 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.592 -2.054 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.283 -2.772 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.741 -3.354 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.015 -2.526 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.463 -1.086 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.146 -0.489 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.881 -1.292 -1.053 1.00 0.00 H new TER 1984 LYS A 129