USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 80 CYS SG : rot 63:sc= -7.28! USER MOD Set 1.2: A 106 GLN : amide:sc= -5.65! C(o=-13!,f=-17!) USER MOD Set 2.1: A 23 HIS : no HE2:sc= -0.217 K(o=-0.45,f=-2.7) USER MOD Set 2.2: A 24 HIS : no HD1:sc= -0.234 X(o=-0.45,f=-0.8) USER MOD Set 3.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.0902 (180deg=0) USER MOD Single : A 1 SER OG : rot 54:sc= 0.0981 USER MOD Single : A 7 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -91:sc= -1.04! USER MOD Single : A 14 CYS SG : rot -160:sc= -3.69! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 152:sc= -2.59! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.09 K(o=-2.1,f=-0.71) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.4! K(o=-3.4!,f=-2.8) USER MOD Single : A 36 SER OG : rot 127:sc= -3.9! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -15.2! C(o=-15!,f=-18!) USER MOD Single : A 48 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.7!) USER MOD Single : A 53 SER OG : rot -143:sc= 0.248 USER MOD Single : A 55 MET CE :methyl -150:sc= -11.3! (180deg=-16.7!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.634 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -178:sc= -4.68! USER MOD Single : A 68 LYS NZ :NH3+ -135:sc= 0 (180deg=-1.2) USER MOD Single : A 69 GLN : amide:sc= -1.68 K(o=-1.7,f=-7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00307 X(o=-0.0031,f=-0.024) USER MOD Single : A 77 MET CE :methyl -114:sc= -2.75 (180deg=-7.58!) USER MOD Single : A 83 SER OG : rot -150:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0446 (180deg=-0.335) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.947 K(o=-0.95,f=-7.7!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.204 -14.545 1.253 1.00 0.00 N ATOM 2 CA SER A 1 -10.111 -15.167 0.527 1.00 0.00 C ATOM 3 C SER A 1 -9.203 -14.092 -0.074 1.00 0.00 C ATOM 4 O SER A 1 -9.301 -13.784 -1.260 1.00 0.00 O ATOM 5 CB SER A 1 -10.635 -16.094 -0.572 1.00 0.00 C ATOM 6 OG SER A 1 -11.701 -15.499 -1.307 1.00 0.00 O ATOM 0 H1 SER A 1 -11.430 -15.114 2.094 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.925 -13.587 1.547 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.041 -14.488 0.638 1.00 0.00 H new ATOM 0 HA SER A 1 -9.535 -15.770 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.822 -16.346 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.978 -17.027 -0.126 1.00 0.00 H new ATOM 0 HG SER A 1 -11.415 -14.627 -1.651 1.00 0.00 H new ATOM 11 N LEU A 2 -8.340 -13.550 0.773 1.00 0.00 N ATOM 12 CA LEU A 2 -7.416 -12.516 0.340 1.00 0.00 C ATOM 13 C LEU A 2 -6.003 -13.098 0.270 1.00 0.00 C ATOM 14 O LEU A 2 -5.619 -13.909 1.110 1.00 0.00 O ATOM 15 CB LEU A 2 -7.529 -11.285 1.241 1.00 0.00 C ATOM 16 CG LEU A 2 -6.363 -10.297 1.178 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.807 -8.961 0.577 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.719 -10.120 2.555 1.00 0.00 C ATOM 0 H LEU A 2 -8.261 -13.808 1.757 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.671 -12.173 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.444 -10.753 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.638 -11.623 2.272 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.601 -10.710 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.959 -8.277 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.182 -9.123 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.597 -8.530 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.893 -9.413 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.461 -9.740 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.344 -11.081 2.907 1.00 0.00 H new ATOM 29 N GLY A 3 -5.266 -12.661 -0.742 1.00 0.00 N ATOM 30 CA GLY A 3 -3.904 -13.128 -0.933 1.00 0.00 C ATOM 31 C GLY A 3 -2.901 -12.176 -0.278 1.00 0.00 C ATOM 32 O GLY A 3 -3.285 -11.299 0.493 1.00 0.00 O ATOM 0 H GLY A 3 -5.587 -11.988 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.795 -14.126 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.690 -13.210 -1.999 1.00 0.00 H new ATOM 36 N ILE A 4 -1.635 -12.381 -0.611 1.00 0.00 N ATOM 37 CA ILE A 4 -0.574 -11.553 -0.065 1.00 0.00 C ATOM 38 C ILE A 4 0.776 -12.056 -0.579 1.00 0.00 C ATOM 39 O ILE A 4 1.021 -13.262 -0.615 1.00 0.00 O ATOM 40 CB ILE A 4 -0.669 -11.497 1.462 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.472 -10.067 1.971 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.313 -12.476 2.108 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.574 -9.327 1.136 1.00 0.00 C ATOM 0 H ILE A 4 -1.320 -13.109 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.681 -10.523 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.672 -11.807 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.420 -9.530 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.160 -10.089 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.225 -12.416 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.084 -13.490 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.330 -12.220 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.695 -8.314 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.527 -9.853 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.247 -9.286 0.097 1.00 0.00 H new ATOM 54 N ASP A 5 1.618 -11.108 -0.963 1.00 0.00 N ATOM 55 CA ASP A 5 2.937 -11.441 -1.473 1.00 0.00 C ATOM 56 C ASP A 5 3.957 -10.438 -0.930 1.00 0.00 C ATOM 57 O ASP A 5 3.586 -9.451 -0.296 1.00 0.00 O ATOM 58 CB ASP A 5 2.972 -11.368 -3.001 1.00 0.00 C ATOM 59 CG ASP A 5 3.993 -12.290 -3.670 1.00 0.00 C ATOM 60 OD1 ASP A 5 3.687 -12.973 -4.658 1.00 0.00 O ATOM 61 OD2 ASP A 5 5.163 -12.291 -3.128 1.00 0.00 O ATOM 0 H ASP A 5 1.412 -10.109 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 5 3.175 -12.456 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.981 -11.610 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.185 -10.340 -3.296 1.00 0.00 H new ATOM 66 N MET A 6 5.223 -10.726 -1.197 1.00 0.00 N ATOM 67 CA MET A 6 6.299 -9.862 -0.743 1.00 0.00 C ATOM 68 C MET A 6 7.552 -10.049 -1.600 1.00 0.00 C ATOM 69 O MET A 6 7.947 -11.178 -1.889 1.00 0.00 O ATOM 70 CB MET A 6 6.627 -10.180 0.718 1.00 0.00 C ATOM 71 CG MET A 6 6.047 -9.118 1.654 1.00 0.00 C ATOM 72 SD MET A 6 6.839 -9.213 3.251 1.00 0.00 S ATOM 73 CE MET A 6 8.218 -8.114 2.979 1.00 0.00 C ATOM 0 H MET A 6 5.527 -11.546 -1.722 1.00 0.00 H new ATOM 0 HA MET A 6 5.971 -8.827 -0.834 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.225 -11.159 0.980 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.708 -10.234 0.848 1.00 0.00 H new ATOM 0 HG2 MET A 6 6.191 -8.126 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.972 -9.265 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.822 -8.057 3.885 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.828 -8.492 2.159 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.847 -7.120 2.727 1.00 0.00 H new ATOM 81 N ASN A 7 8.142 -8.927 -1.983 1.00 0.00 N ATOM 82 CA ASN A 7 9.342 -8.953 -2.802 1.00 0.00 C ATOM 83 C ASN A 7 10.356 -7.953 -2.244 1.00 0.00 C ATOM 84 O ASN A 7 10.057 -7.217 -1.304 1.00 0.00 O ATOM 85 CB ASN A 7 9.032 -8.556 -4.246 1.00 0.00 C ATOM 86 CG ASN A 7 9.324 -9.711 -5.206 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.478 -10.543 -5.492 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.563 -9.715 -5.687 1.00 0.00 N ATOM 0 H ASN A 7 7.811 -7.993 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 7 9.740 -9.967 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.985 -8.264 -4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.629 -7.687 -4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.855 -10.445 -6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.221 -8.988 -5.406 1.00 0.00 H new ATOM 94 N VAL A 8 11.536 -7.957 -2.847 1.00 0.00 N ATOM 95 CA VAL A 8 12.596 -7.059 -2.422 1.00 0.00 C ATOM 96 C VAL A 8 13.377 -6.583 -3.649 1.00 0.00 C ATOM 97 O VAL A 8 13.687 -7.374 -4.538 1.00 0.00 O ATOM 98 CB VAL A 8 13.481 -7.749 -1.381 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.958 -7.660 -1.771 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.246 -7.163 0.012 1.00 0.00 C ATOM 0 H VAL A 8 11.781 -8.568 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 8 12.178 -6.176 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 8 13.205 -8.803 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.565 -8.158 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.110 -8.145 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.253 -6.613 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.887 -7.671 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.481 -6.099 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.202 -7.302 0.294 1.00 0.00 H new ATOM 110 N LYS A 9 13.673 -5.291 -3.657 1.00 0.00 N ATOM 111 CA LYS A 9 14.413 -4.700 -4.761 1.00 0.00 C ATOM 112 C LYS A 9 15.263 -3.542 -4.235 1.00 0.00 C ATOM 113 O LYS A 9 14.744 -2.464 -3.950 1.00 0.00 O ATOM 114 CB LYS A 9 13.461 -4.301 -5.890 1.00 0.00 C ATOM 115 CG LYS A 9 12.086 -4.946 -5.702 1.00 0.00 C ATOM 116 CD LYS A 9 12.071 -6.375 -6.251 1.00 0.00 C ATOM 117 CE LYS A 9 11.147 -6.486 -7.465 1.00 0.00 C ATOM 118 NZ LYS A 9 11.879 -7.048 -8.622 1.00 0.00 N ATOM 0 H LYS A 9 13.414 -4.637 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 9 15.098 -5.428 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.357 -3.216 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.881 -4.605 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.827 -4.957 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.328 -4.350 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.082 -6.672 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.740 -7.064 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.294 -7.120 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.751 -5.503 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.238 -7.117 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.679 -6.428 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.235 -7.995 -8.381 1.00 0.00 H new ATOM 127 N GLU A 10 16.558 -3.804 -4.125 1.00 0.00 N ATOM 128 CA GLU A 10 17.485 -2.796 -3.640 1.00 0.00 C ATOM 129 C GLU A 10 17.147 -2.414 -2.197 1.00 0.00 C ATOM 130 O GLU A 10 18.023 -2.002 -1.438 1.00 0.00 O ATOM 131 CB GLU A 10 17.484 -1.566 -4.548 1.00 0.00 C ATOM 132 CG GLU A 10 18.110 -0.362 -3.842 1.00 0.00 C ATOM 133 CD GLU A 10 18.926 0.485 -4.821 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.654 0.469 -6.031 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.871 1.179 -4.284 1.00 0.00 O ATOM 0 H GLU A 10 16.986 -4.699 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 10 18.490 -3.217 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.037 -1.784 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.462 -1.328 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.327 0.248 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.751 -0.705 -3.030 1.00 0.00 H new ATOM 141 N SER A 11 15.874 -2.562 -1.863 1.00 0.00 N ATOM 142 CA SER A 11 15.408 -2.237 -0.526 1.00 0.00 C ATOM 143 C SER A 11 13.890 -2.043 -0.532 1.00 0.00 C ATOM 144 O SER A 11 13.289 -1.795 0.512 1.00 0.00 O ATOM 145 CB SER A 11 16.101 -0.981 0.008 1.00 0.00 C ATOM 146 OG SER A 11 16.741 -0.242 -1.028 1.00 0.00 O ATOM 0 H SER A 11 15.150 -2.903 -2.496 1.00 0.00 H new ATOM 0 HA SER A 11 15.659 -3.067 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.368 -0.346 0.506 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.838 -1.265 0.759 1.00 0.00 H new ATOM 0 HG SER A 11 17.669 -0.544 -1.120 1.00 0.00 H new ATOM 151 N VAL A 12 13.316 -2.163 -1.720 1.00 0.00 N ATOM 152 CA VAL A 12 11.880 -2.004 -1.876 1.00 0.00 C ATOM 153 C VAL A 12 11.212 -3.380 -1.836 1.00 0.00 C ATOM 154 O VAL A 12 11.524 -4.248 -2.649 1.00 0.00 O ATOM 155 CB VAL A 12 11.576 -1.228 -3.158 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.891 -2.071 -4.397 1.00 0.00 C ATOM 157 CG2 VAL A 12 10.124 -0.746 -3.177 1.00 0.00 C ATOM 0 H VAL A 12 13.819 -2.368 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 12 11.468 -1.419 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 12 12.220 -0.349 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.666 -1.496 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.947 -2.341 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.285 -2.977 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.935 -0.197 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.455 -1.605 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.946 -0.092 -2.323 1.00 0.00 H new ATOM 167 N LEU A 13 10.305 -3.535 -0.883 1.00 0.00 N ATOM 168 CA LEU A 13 9.590 -4.791 -0.728 1.00 0.00 C ATOM 169 C LEU A 13 8.211 -4.671 -1.380 1.00 0.00 C ATOM 170 O LEU A 13 7.333 -3.981 -0.863 1.00 0.00 O ATOM 171 CB LEU A 13 9.540 -5.200 0.746 1.00 0.00 C ATOM 172 CG LEU A 13 10.185 -4.226 1.734 1.00 0.00 C ATOM 173 CD1 LEU A 13 11.571 -3.793 1.253 1.00 0.00 C ATOM 174 CD2 LEU A 13 9.270 -3.028 1.999 1.00 0.00 C ATOM 0 H LEU A 13 10.049 -2.812 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 13 10.117 -5.596 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.496 -5.336 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.028 -6.169 0.851 1.00 0.00 H new ATOM 0 HG LEU A 13 10.322 -4.744 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.007 -3.101 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.213 -4.669 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.483 -3.300 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.752 -2.351 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.079 -2.502 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.326 -3.377 2.418 1.00 0.00 H new ATOM 185 N CYS A 14 8.064 -5.354 -2.506 1.00 0.00 N ATOM 186 CA CYS A 14 6.807 -5.333 -3.234 1.00 0.00 C ATOM 187 C CYS A 14 5.792 -6.183 -2.466 1.00 0.00 C ATOM 188 O CYS A 14 6.062 -7.341 -2.147 1.00 0.00 O ATOM 189 CB CYS A 14 6.979 -5.816 -4.676 1.00 0.00 C ATOM 190 SG CYS A 14 8.702 -5.533 -5.227 1.00 0.00 S ATOM 0 H CYS A 14 8.794 -5.925 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 14 6.443 -4.308 -3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.735 -6.876 -4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.287 -5.287 -5.331 1.00 0.00 H new ATOM 0 HG CYS A 14 8.749 -5.539 -6.526 1.00 0.00 H new ATOM 195 N ILE A 15 4.647 -5.576 -2.190 1.00 0.00 N ATOM 196 CA ILE A 15 3.592 -6.262 -1.465 1.00 0.00 C ATOM 197 C ILE A 15 2.437 -6.567 -2.421 1.00 0.00 C ATOM 198 O ILE A 15 1.543 -5.743 -2.604 1.00 0.00 O ATOM 199 CB ILE A 15 3.174 -5.454 -0.235 1.00 0.00 C ATOM 200 CG1 ILE A 15 4.205 -5.591 0.887 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.769 -5.847 0.228 1.00 0.00 C ATOM 202 CD1 ILE A 15 4.140 -6.979 1.527 1.00 0.00 C ATOM 0 H ILE A 15 4.427 -4.616 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 15 3.952 -7.217 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 15 3.139 -4.401 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.205 -5.417 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.026 -4.829 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.496 -5.258 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.055 -5.657 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.753 -6.906 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.883 -7.049 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.146 -7.141 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.344 -7.738 0.772 1.00 0.00 H new ATOM 213 N ARG A 16 2.495 -7.754 -3.007 1.00 0.00 N ATOM 214 CA ARG A 16 1.465 -8.178 -3.941 1.00 0.00 C ATOM 215 C ARG A 16 0.398 -9.001 -3.217 1.00 0.00 C ATOM 216 O ARG A 16 0.661 -10.122 -2.784 1.00 0.00 O ATOM 217 CB ARG A 16 2.061 -9.015 -5.075 1.00 0.00 C ATOM 218 CG ARG A 16 1.938 -8.287 -6.416 1.00 0.00 C ATOM 219 CD ARG A 16 3.237 -8.395 -7.219 1.00 0.00 C ATOM 220 NE ARG A 16 2.950 -8.265 -8.664 1.00 0.00 N ATOM 221 CZ ARG A 16 2.469 -9.266 -9.433 1.00 0.00 C ATOM 222 NH1 ARG A 16 2.217 -10.480 -8.899 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.250 -9.040 -10.715 1.00 0.00 N ATOM 0 H ARG A 16 3.239 -8.435 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 16 1.012 -7.281 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.110 -9.224 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.550 -9.976 -5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.115 -8.712 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.699 -7.238 -6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.933 -7.617 -6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.719 -9.352 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 16 3.126 -7.364 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.390 -10.647 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.854 -11.230 -9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.444 -8.120 -11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.887 -9.785 -11.309 1.00 0.00 H new ATOM 233 N LEU A 17 -0.783 -8.412 -3.105 1.00 0.00 N ATOM 234 CA LEU A 17 -1.892 -9.076 -2.440 1.00 0.00 C ATOM 235 C LEU A 17 -3.050 -9.237 -3.426 1.00 0.00 C ATOM 236 O LEU A 17 -3.341 -8.327 -4.201 1.00 0.00 O ATOM 237 CB LEU A 17 -2.273 -8.330 -1.160 1.00 0.00 C ATOM 238 CG LEU A 17 -3.646 -7.654 -1.160 1.00 0.00 C ATOM 239 CD1 LEU A 17 -4.079 -7.291 0.261 1.00 0.00 C ATOM 240 CD2 LEU A 17 -3.658 -6.441 -2.092 1.00 0.00 C ATOM 0 H LEU A 17 -0.997 -7.481 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.602 -10.078 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.237 -9.034 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.516 -7.570 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.377 -8.364 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.058 -6.812 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.135 -8.196 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.353 -6.606 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.645 -5.978 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.912 -5.719 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.425 -6.760 -3.108 1.00 0.00 H new ATOM 251 N THR A 18 -3.680 -10.401 -3.365 1.00 0.00 N ATOM 252 CA THR A 18 -4.800 -10.693 -4.243 1.00 0.00 C ATOM 253 C THR A 18 -6.016 -11.135 -3.426 1.00 0.00 C ATOM 254 O THR A 18 -5.989 -12.183 -2.782 1.00 0.00 O ATOM 255 CB THR A 18 -4.342 -11.737 -5.264 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.397 -12.530 -4.549 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.526 -11.123 -6.403 1.00 0.00 C ATOM 0 H THR A 18 -3.436 -11.153 -2.721 1.00 0.00 H new ATOM 0 HA THR A 18 -5.118 -9.804 -4.787 1.00 0.00 H new ATOM 0 HB THR A 18 -5.212 -12.249 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.050 -13.234 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.226 -11.906 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.132 -10.384 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.638 -10.640 -5.995 1.00 0.00 H new ATOM 265 N GLY A 19 -7.055 -10.315 -3.481 1.00 0.00 N ATOM 266 CA GLY A 19 -8.278 -10.607 -2.756 1.00 0.00 C ATOM 267 C GLY A 19 -9.148 -9.355 -2.618 1.00 0.00 C ATOM 268 O GLY A 19 -9.383 -8.648 -3.596 1.00 0.00 O ATOM 0 H GLY A 19 -7.074 -9.448 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.836 -11.386 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.035 -10.995 -1.767 1.00 0.00 H new ATOM 272 N GLU A 20 -9.601 -9.120 -1.396 1.00 0.00 N ATOM 273 CA GLU A 20 -10.439 -7.966 -1.118 1.00 0.00 C ATOM 274 C GLU A 20 -9.840 -7.138 0.021 1.00 0.00 C ATOM 275 O GLU A 20 -9.128 -7.669 0.871 1.00 0.00 O ATOM 276 CB GLU A 20 -11.871 -8.394 -0.791 1.00 0.00 C ATOM 277 CG GLU A 20 -12.785 -8.225 -2.006 1.00 0.00 C ATOM 278 CD GLU A 20 -12.794 -9.492 -2.865 1.00 0.00 C ATOM 279 OE1 GLU A 20 -13.836 -9.844 -3.438 1.00 0.00 O ATOM 280 OE2 GLU A 20 -11.667 -10.116 -2.927 1.00 0.00 O ATOM 0 H GLU A 20 -9.404 -9.709 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.477 -7.344 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.878 -9.435 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.251 -7.800 0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.798 -7.999 -1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.448 -7.378 -2.604 1.00 0.00 H new ATOM 286 N LEU A 21 -10.153 -5.850 0.002 1.00 0.00 N ATOM 287 CA LEU A 21 -9.656 -4.943 1.023 1.00 0.00 C ATOM 288 C LEU A 21 -10.816 -4.501 1.915 1.00 0.00 C ATOM 289 O LEU A 21 -11.624 -3.662 1.520 1.00 0.00 O ATOM 290 CB LEU A 21 -8.895 -3.780 0.381 1.00 0.00 C ATOM 291 CG LEU A 21 -7.423 -3.644 0.773 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.202 -4.067 2.227 1.00 0.00 C ATOM 293 CD2 LEU A 21 -6.524 -4.420 -0.192 1.00 0.00 C ATOM 0 H LEU A 21 -10.745 -5.413 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.936 -5.450 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.954 -3.887 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.406 -2.852 0.637 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.145 -2.593 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.147 -3.961 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.799 -3.435 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.503 -5.107 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.483 -4.306 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.794 -5.476 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.654 -4.031 -1.202 1.00 0.00 H new ATOM 304 N ASP A 22 -10.863 -5.086 3.103 1.00 0.00 N ATOM 305 CA ASP A 22 -11.912 -4.763 4.055 1.00 0.00 C ATOM 306 C ASP A 22 -11.387 -4.974 5.477 1.00 0.00 C ATOM 307 O ASP A 22 -10.353 -5.613 5.672 1.00 0.00 O ATOM 308 CB ASP A 22 -13.130 -5.668 3.862 1.00 0.00 C ATOM 309 CG ASP A 22 -12.945 -6.792 2.841 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.313 -6.603 1.791 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.487 -7.917 3.164 1.00 0.00 O ATOM 0 H ASP A 22 -10.192 -5.782 3.428 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.205 -3.726 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.391 -6.110 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.976 -5.053 3.554 1.00 0.00 H new ATOM 316 N HIS A 23 -12.122 -4.426 6.433 1.00 0.00 N ATOM 317 CA HIS A 23 -11.743 -4.546 7.831 1.00 0.00 C ATOM 318 C HIS A 23 -11.240 -5.964 8.106 1.00 0.00 C ATOM 319 O HIS A 23 -10.430 -6.176 9.007 1.00 0.00 O ATOM 320 CB HIS A 23 -12.900 -4.140 8.744 1.00 0.00 C ATOM 321 CG HIS A 23 -13.821 -5.278 9.112 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.696 -5.994 10.290 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.883 -5.817 8.445 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.644 -6.920 10.319 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.378 -6.809 9.175 1.00 0.00 N ATOM 0 H HIS A 23 -12.978 -3.897 6.267 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.926 -3.859 8.050 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.493 -3.706 9.657 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.481 -3.360 8.252 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.994 -5.836 11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.257 -5.491 7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.807 -7.637 11.110 1.00 0.00 H new ATOM 332 N HIS A 24 -11.741 -6.899 7.313 1.00 0.00 N ATOM 333 CA HIS A 24 -11.352 -8.292 7.459 1.00 0.00 C ATOM 334 C HIS A 24 -9.952 -8.498 6.878 1.00 0.00 C ATOM 335 O HIS A 24 -9.057 -8.986 7.565 1.00 0.00 O ATOM 336 CB HIS A 24 -12.397 -9.217 6.831 1.00 0.00 C ATOM 337 CG HIS A 24 -13.490 -9.644 7.781 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.827 -9.359 7.564 1.00 0.00 N ATOM 339 CD2 HIS A 24 -13.430 -10.338 8.953 1.00 0.00 C ATOM 340 CE1 HIS A 24 -15.531 -9.863 8.567 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.663 -10.470 9.427 1.00 0.00 N ATOM 0 H HIS A 24 -12.413 -6.720 6.567 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.310 -8.552 8.517 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.849 -8.711 5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.896 -10.106 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.531 -10.716 9.417 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.603 -9.804 8.683 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.919 -10.947 10.292 1.00 0.00 H new ATOM 348 N THR A 25 -9.807 -8.116 5.618 1.00 0.00 N ATOM 349 CA THR A 25 -8.531 -8.254 4.936 1.00 0.00 C ATOM 350 C THR A 25 -7.578 -7.134 5.360 1.00 0.00 C ATOM 351 O THR A 25 -6.386 -7.184 5.062 1.00 0.00 O ATOM 352 CB THR A 25 -8.801 -8.285 3.430 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.833 -6.910 3.055 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.204 -8.795 3.096 1.00 0.00 C ATOM 0 H THR A 25 -10.552 -7.711 5.051 1.00 0.00 H new ATOM 0 HA THR A 25 -8.033 -9.184 5.210 1.00 0.00 H new ATOM 0 HB THR A 25 -8.060 -8.918 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.559 -6.820 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.343 -8.797 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.323 -9.809 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.947 -8.144 3.556 1.00 0.00 H new ATOM 362 N ALA A 26 -8.139 -6.152 6.049 1.00 0.00 N ATOM 363 CA ALA A 26 -7.353 -5.023 6.516 1.00 0.00 C ATOM 364 C ALA A 26 -6.556 -5.440 7.754 1.00 0.00 C ATOM 365 O ALA A 26 -5.505 -4.869 8.042 1.00 0.00 O ATOM 366 CB ALA A 26 -8.278 -3.836 6.792 1.00 0.00 C ATOM 0 H ALA A 26 -9.128 -6.115 6.295 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.640 -4.710 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.688 -2.989 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.800 -3.561 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.006 -4.112 7.555 1.00 0.00 H new ATOM 372 N GLU A 27 -7.086 -6.431 8.455 1.00 0.00 N ATOM 373 CA GLU A 27 -6.438 -6.931 9.654 1.00 0.00 C ATOM 374 C GLU A 27 -5.064 -7.511 9.313 1.00 0.00 C ATOM 375 O GLU A 27 -4.079 -7.222 9.990 1.00 0.00 O ATOM 376 CB GLU A 27 -7.312 -7.970 10.359 1.00 0.00 C ATOM 377 CG GLU A 27 -7.813 -7.445 11.705 1.00 0.00 C ATOM 378 CD GLU A 27 -8.918 -6.403 11.511 1.00 0.00 C ATOM 379 OE1 GLU A 27 -8.645 -5.291 11.036 1.00 0.00 O ATOM 380 OE2 GLU A 27 -10.096 -6.785 11.873 1.00 0.00 O ATOM 0 H GLU A 27 -7.958 -6.902 8.215 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.298 -6.097 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.162 -8.225 9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.742 -8.886 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.191 -8.273 12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.984 -7.003 12.258 1.00 0.00 H new ATOM 386 N THR A 28 -5.043 -8.319 8.264 1.00 0.00 N ATOM 387 CA THR A 28 -3.806 -8.943 7.824 1.00 0.00 C ATOM 388 C THR A 28 -2.676 -7.912 7.779 1.00 0.00 C ATOM 389 O THR A 28 -1.594 -8.148 8.315 1.00 0.00 O ATOM 390 CB THR A 28 -4.069 -9.614 6.475 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.419 -10.954 6.816 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.798 -9.763 5.637 1.00 0.00 C ATOM 0 H THR A 28 -5.863 -8.556 7.705 1.00 0.00 H new ATOM 0 HA THR A 28 -3.478 -9.709 8.526 1.00 0.00 H new ATOM 0 HB THR A 28 -4.804 -9.033 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.608 -11.461 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.041 -10.245 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.372 -8.778 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.074 -10.372 6.179 1.00 0.00 H new ATOM 400 N LEU A 29 -2.966 -6.791 7.135 1.00 0.00 N ATOM 401 CA LEU A 29 -1.988 -5.724 7.013 1.00 0.00 C ATOM 402 C LEU A 29 -1.710 -5.132 8.397 1.00 0.00 C ATOM 403 O LEU A 29 -0.628 -4.603 8.644 1.00 0.00 O ATOM 404 CB LEU A 29 -2.447 -4.691 5.983 1.00 0.00 C ATOM 405 CG LEU A 29 -1.361 -4.133 5.060 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.487 -5.258 4.501 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.971 -3.275 3.950 1.00 0.00 C ATOM 0 H LEU A 29 -3.865 -6.599 6.692 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.043 -6.115 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.223 -5.143 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.907 -3.858 6.514 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.713 -3.483 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.277 -4.835 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.008 -5.789 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.106 -5.952 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.177 -2.891 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.656 -3.881 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.515 -2.441 4.393 1.00 0.00 H new ATOM 418 N LYS A 30 -2.708 -5.240 9.262 1.00 0.00 N ATOM 419 CA LYS A 30 -2.585 -4.721 10.614 1.00 0.00 C ATOM 420 C LYS A 30 -1.282 -5.230 11.233 1.00 0.00 C ATOM 421 O LYS A 30 -0.570 -4.477 11.896 1.00 0.00 O ATOM 422 CB LYS A 30 -3.830 -5.063 11.434 1.00 0.00 C ATOM 423 CG LYS A 30 -4.117 -3.978 12.473 1.00 0.00 C ATOM 424 CD LYS A 30 -3.238 -4.160 13.712 1.00 0.00 C ATOM 425 CE LYS A 30 -3.433 -5.548 14.324 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.576 -5.452 15.794 1.00 0.00 N ATOM 0 H LYS A 30 -3.605 -5.679 9.053 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.529 -3.633 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.688 -5.172 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.689 -6.022 11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.938 -2.995 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.168 -4.013 12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.191 -4.021 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.481 -3.396 14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.318 -6.019 13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.583 -6.184 14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.708 -6.403 16.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.720 -5.022 16.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.401 -4.863 16.025 1.00 0.00 H new ATOM 435 N GLN A 31 -1.009 -6.505 10.996 1.00 0.00 N ATOM 436 CA GLN A 31 0.196 -7.122 11.524 1.00 0.00 C ATOM 437 C GLN A 31 1.410 -6.720 10.682 1.00 0.00 C ATOM 438 O GLN A 31 2.522 -6.620 11.199 1.00 0.00 O ATOM 439 CB GLN A 31 0.051 -8.643 11.584 1.00 0.00 C ATOM 440 CG GLN A 31 0.344 -9.277 10.222 1.00 0.00 C ATOM 441 CD GLN A 31 -0.562 -10.485 9.972 1.00 0.00 C ATOM 442 OE1 GLN A 31 -0.113 -11.579 9.672 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.859 -10.226 10.113 1.00 0.00 N ATOM 0 H GLN A 31 -1.601 -7.127 10.446 1.00 0.00 H new ATOM 0 HA GLN A 31 0.349 -6.764 12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.733 -9.048 12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.959 -8.903 11.900 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.197 -8.538 9.434 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.388 -9.586 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.167 -9.287 10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.546 -10.966 9.968 1.00 0.00 H new ATOM 450 N LYS A 32 1.156 -6.502 9.401 1.00 0.00 N ATOM 451 CA LYS A 32 2.213 -6.114 8.483 1.00 0.00 C ATOM 452 C LYS A 32 2.731 -4.726 8.867 1.00 0.00 C ATOM 453 O LYS A 32 3.766 -4.286 8.369 1.00 0.00 O ATOM 454 CB LYS A 32 1.730 -6.211 7.035 1.00 0.00 C ATOM 455 CG LYS A 32 2.833 -5.798 6.059 1.00 0.00 C ATOM 456 CD LYS A 32 4.083 -6.660 6.248 1.00 0.00 C ATOM 457 CE LYS A 32 5.068 -6.459 5.095 1.00 0.00 C ATOM 458 NZ LYS A 32 6.453 -6.353 5.607 1.00 0.00 N ATOM 0 H LYS A 32 0.233 -6.587 8.976 1.00 0.00 H new ATOM 0 HA LYS A 32 3.055 -6.802 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.414 -7.232 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.858 -5.572 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.472 -5.894 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.084 -4.748 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.565 -6.405 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.799 -7.710 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.995 -7.293 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.809 -5.557 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.108 -6.217 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.523 -5.542 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.703 -7.225 6.116 1.00 0.00 H new ATOM 467 N VAL A 33 1.986 -4.074 9.748 1.00 0.00 N ATOM 468 CA VAL A 33 2.357 -2.745 10.203 1.00 0.00 C ATOM 469 C VAL A 33 3.489 -2.858 11.226 1.00 0.00 C ATOM 470 O VAL A 33 4.545 -2.250 11.059 1.00 0.00 O ATOM 471 CB VAL A 33 1.127 -2.018 10.751 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.417 -0.531 10.963 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.082 -2.216 9.834 1.00 0.00 C ATOM 0 H VAL A 33 1.128 -4.441 10.159 1.00 0.00 H new ATOM 0 HA VAL A 33 2.729 -2.147 9.371 1.00 0.00 H new ATOM 0 HB VAL A 33 0.886 -2.453 11.721 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.526 -0.039 11.353 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.235 -0.418 11.674 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.697 -0.076 10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.942 -1.689 10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.144 -1.821 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.310 -3.279 9.757 1.00 0.00 H new ATOM 483 N THR A 34 3.231 -3.643 12.262 1.00 0.00 N ATOM 484 CA THR A 34 4.216 -3.844 13.311 1.00 0.00 C ATOM 485 C THR A 34 5.554 -4.281 12.711 1.00 0.00 C ATOM 486 O THR A 34 6.611 -3.827 13.144 1.00 0.00 O ATOM 487 CB THR A 34 3.642 -4.848 14.312 1.00 0.00 C ATOM 488 OG1 THR A 34 4.786 -5.342 15.005 1.00 0.00 O ATOM 489 CG2 THR A 34 3.058 -6.087 13.629 1.00 0.00 C ATOM 0 H THR A 34 2.355 -4.147 12.397 1.00 0.00 H new ATOM 0 HA THR A 34 4.423 -2.915 13.842 1.00 0.00 H new ATOM 0 HB THR A 34 2.869 -4.363 14.909 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.504 -5.999 15.675 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.664 -6.767 14.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.254 -5.787 12.956 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.839 -6.590 13.059 1.00 0.00 H new ATOM 497 N GLN A 35 5.463 -5.159 11.723 1.00 0.00 N ATOM 498 CA GLN A 35 6.653 -5.663 11.059 1.00 0.00 C ATOM 499 C GLN A 35 7.392 -4.522 10.355 1.00 0.00 C ATOM 500 O GLN A 35 8.605 -4.384 10.496 1.00 0.00 O ATOM 501 CB GLN A 35 6.300 -6.778 10.071 1.00 0.00 C ATOM 502 CG GLN A 35 5.963 -8.075 10.808 1.00 0.00 C ATOM 503 CD GLN A 35 4.937 -8.900 10.027 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.217 -9.980 9.534 1.00 0.00 O ATOM 505 NE2 GLN A 35 3.738 -8.331 9.942 1.00 0.00 N ATOM 0 H GLN A 35 4.584 -5.534 11.366 1.00 0.00 H new ATOM 0 HA GLN A 35 7.314 -6.087 11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.451 -6.472 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.137 -6.947 9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.871 -8.661 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.571 -7.843 11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.572 -7.424 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.985 -8.801 9.440 1.00 0.00 H new ATOM 512 N SER A 36 6.628 -3.734 9.613 1.00 0.00 N ATOM 513 CA SER A 36 7.195 -2.610 8.887 1.00 0.00 C ATOM 514 C SER A 36 7.499 -1.462 9.854 1.00 0.00 C ATOM 515 O SER A 36 8.342 -0.613 9.570 1.00 0.00 O ATOM 516 CB SER A 36 6.251 -2.136 7.781 1.00 0.00 C ATOM 517 OG SER A 36 6.935 -1.926 6.549 1.00 0.00 O ATOM 0 H SER A 36 5.621 -3.851 9.499 1.00 0.00 H new ATOM 0 HA SER A 36 8.123 -2.938 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.462 -2.874 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.767 -1.209 8.090 1.00 0.00 H new ATOM 0 HG SER A 36 6.487 -2.427 5.836 1.00 0.00 H new ATOM 522 N LEU A 37 6.794 -1.475 10.977 1.00 0.00 N ATOM 523 CA LEU A 37 6.978 -0.447 11.986 1.00 0.00 C ATOM 524 C LEU A 37 8.467 -0.321 12.315 1.00 0.00 C ATOM 525 O LEU A 37 8.946 0.765 12.636 1.00 0.00 O ATOM 526 CB LEU A 37 6.100 -0.732 13.207 1.00 0.00 C ATOM 527 CG LEU A 37 5.031 0.316 13.523 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.665 1.684 13.783 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.975 0.374 12.418 1.00 0.00 C ATOM 0 H LEU A 37 6.095 -2.181 11.209 1.00 0.00 H new ATOM 0 HA LEU A 37 6.652 0.522 11.607 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.606 -1.692 13.059 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.747 -0.837 14.078 1.00 0.00 H new ATOM 0 HG LEU A 37 4.521 0.018 14.439 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.884 2.411 14.005 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.347 1.614 14.630 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.217 2.003 12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.228 1.127 12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.451 0.635 11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.493 -0.599 12.324 1.00 0.00 H new ATOM 540 N GLU A 38 9.158 -1.448 12.225 1.00 0.00 N ATOM 541 CA GLU A 38 10.582 -1.478 12.509 1.00 0.00 C ATOM 542 C GLU A 38 11.220 -2.724 11.891 1.00 0.00 C ATOM 543 O GLU A 38 11.541 -3.677 12.598 1.00 0.00 O ATOM 544 CB GLU A 38 10.842 -1.419 14.016 1.00 0.00 C ATOM 545 CG GLU A 38 10.378 -0.084 14.601 1.00 0.00 C ATOM 546 CD GLU A 38 10.943 0.125 16.007 1.00 0.00 C ATOM 547 OE1 GLU A 38 10.174 0.231 16.974 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.230 0.173 16.076 1.00 0.00 O ATOM 0 H GLU A 38 8.757 -2.348 11.959 1.00 0.00 H new ATOM 0 HA GLU A 38 11.041 -0.597 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.320 -2.238 14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.906 -1.555 14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.697 0.732 13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.289 -0.057 14.635 1.00 0.00 H new ATOM 554 N LYS A 39 11.386 -2.674 10.577 1.00 0.00 N ATOM 555 CA LYS A 39 11.981 -3.786 9.855 1.00 0.00 C ATOM 556 C LYS A 39 13.465 -3.888 10.217 1.00 0.00 C ATOM 557 O LYS A 39 13.957 -4.969 10.536 1.00 0.00 O ATOM 558 CB LYS A 39 11.722 -3.651 8.354 1.00 0.00 C ATOM 559 CG LYS A 39 11.842 -5.005 7.652 1.00 0.00 C ATOM 560 CD LYS A 39 10.573 -5.838 7.846 1.00 0.00 C ATOM 561 CE LYS A 39 10.739 -6.830 8.999 1.00 0.00 C ATOM 562 NZ LYS A 39 10.209 -8.158 8.619 1.00 0.00 N ATOM 0 H LYS A 39 11.119 -1.881 9.994 1.00 0.00 H new ATOM 0 HA LYS A 39 11.515 -4.726 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.726 -3.239 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.434 -2.948 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.022 -4.852 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.701 -5.548 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.728 -5.179 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.344 -6.378 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.793 -6.915 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.216 -6.462 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.329 -8.820 9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.199 -8.075 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.726 -8.514 7.790 1.00 0.00 H new ATOM 571 N ASP A 40 14.136 -2.747 10.154 1.00 0.00 N ATOM 572 CA ASP A 40 15.552 -2.695 10.471 1.00 0.00 C ATOM 573 C ASP A 40 16.123 -1.349 10.017 1.00 0.00 C ATOM 574 O ASP A 40 16.070 -0.367 10.755 1.00 0.00 O ATOM 575 CB ASP A 40 16.320 -3.802 9.746 1.00 0.00 C ATOM 576 CG ASP A 40 16.465 -5.108 10.530 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.833 -5.105 11.714 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.176 -6.176 9.867 1.00 0.00 O ATOM 0 H ASP A 40 13.725 -1.852 9.888 1.00 0.00 H new ATOM 0 HA ASP A 40 15.661 -2.825 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.816 -4.016 8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.315 -3.432 9.499 1.00 0.00 H new ATOM 583 N ASP A 41 16.654 -1.348 8.802 1.00 0.00 N ATOM 584 CA ASP A 41 17.233 -0.139 8.240 1.00 0.00 C ATOM 585 C ASP A 41 16.114 0.756 7.704 1.00 0.00 C ATOM 586 O ASP A 41 15.233 1.171 8.456 1.00 0.00 O ATOM 587 CB ASP A 41 18.173 -0.467 7.078 1.00 0.00 C ATOM 588 CG ASP A 41 18.962 0.723 6.529 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.533 1.517 7.291 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.977 0.820 5.243 1.00 0.00 O ATOM 0 H ASP A 41 16.695 -2.164 8.192 1.00 0.00 H new ATOM 0 HA ASP A 41 17.795 0.363 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.878 -1.231 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.587 -0.900 6.267 1.00 0.00 H new ATOM 595 N ILE A 42 16.186 1.028 6.410 1.00 0.00 N ATOM 596 CA ILE A 42 15.190 1.866 5.764 1.00 0.00 C ATOM 597 C ILE A 42 14.961 1.372 4.335 1.00 0.00 C ATOM 598 O ILE A 42 15.549 1.898 3.391 1.00 0.00 O ATOM 599 CB ILE A 42 15.594 3.340 5.849 1.00 0.00 C ATOM 600 CG1 ILE A 42 14.988 4.005 7.087 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.228 4.083 4.562 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.499 3.678 7.211 1.00 0.00 C ATOM 0 H ILE A 42 16.919 0.683 5.791 1.00 0.00 H new ATOM 0 HA ILE A 42 14.235 1.790 6.283 1.00 0.00 H new ATOM 0 HB ILE A 42 16.678 3.392 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.514 3.667 7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.123 5.085 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.525 5.128 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.746 3.627 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.151 4.024 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.093 4.163 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.972 4.039 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.369 2.599 7.295 1.00 0.00 H new ATOM 613 N ARG A 43 14.107 0.365 4.220 1.00 0.00 N ATOM 614 CA ARG A 43 13.794 -0.206 2.921 1.00 0.00 C ATOM 615 C ARG A 43 12.718 0.625 2.221 1.00 0.00 C ATOM 616 O ARG A 43 12.419 1.743 2.642 1.00 0.00 O ATOM 617 CB ARG A 43 13.305 -1.649 3.058 1.00 0.00 C ATOM 618 CG ARG A 43 14.443 -2.640 2.804 1.00 0.00 C ATOM 619 CD ARG A 43 15.770 -2.100 3.340 1.00 0.00 C ATOM 620 NE ARG A 43 16.487 -3.163 4.079 1.00 0.00 N ATOM 621 CZ ARG A 43 17.203 -4.144 3.489 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.303 -4.205 2.144 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.803 -5.042 4.247 1.00 0.00 N ATOM 0 H ARG A 43 13.622 -0.070 5.005 1.00 0.00 H new ATOM 0 HA ARG A 43 14.708 -0.198 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.898 -1.805 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.495 -1.831 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.214 -3.592 3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.530 -2.833 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.385 -1.740 2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.587 -1.249 3.996 1.00 0.00 H new ATOM 0 HE ARG A 43 16.437 -3.154 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.836 -3.507 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.846 -4.949 1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.722 -4.988 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.348 -5.790 3.818 1.00 0.00 H new ATOM 633 N HIS A 44 12.165 0.049 1.164 1.00 0.00 N ATOM 634 CA HIS A 44 11.127 0.724 0.401 1.00 0.00 C ATOM 635 C HIS A 44 9.919 -0.202 0.249 1.00 0.00 C ATOM 636 O HIS A 44 10.055 -1.423 0.309 1.00 0.00 O ATOM 637 CB HIS A 44 11.672 1.213 -0.942 1.00 0.00 C ATOM 638 CG HIS A 44 12.725 2.289 -0.823 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.623 3.341 0.070 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.900 2.465 -1.493 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.693 4.110 -0.065 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.483 3.565 -1.034 1.00 0.00 N ATOM 0 H HIS A 44 12.415 -0.877 0.817 1.00 0.00 H new ATOM 0 HA HIS A 44 10.795 1.613 0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.093 0.365 -1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.845 1.593 -1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.290 1.819 -2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.903 5.010 0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.376 3.941 -1.353 1.00 0.00 H new ATOM 649 N ILE A 45 8.762 0.416 0.054 1.00 0.00 N ATOM 650 CA ILE A 45 7.530 -0.337 -0.107 1.00 0.00 C ATOM 651 C ILE A 45 7.142 -0.362 -1.586 1.00 0.00 C ATOM 652 O ILE A 45 7.587 0.483 -2.362 1.00 0.00 O ATOM 653 CB ILE A 45 6.437 0.222 0.807 1.00 0.00 C ATOM 654 CG1 ILE A 45 6.238 1.720 0.569 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.736 -0.091 2.274 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.613 2.103 -0.864 1.00 0.00 C ATOM 0 H ILE A 45 8.653 1.429 0.004 1.00 0.00 H new ATOM 0 HA ILE A 45 7.673 -1.372 0.202 1.00 0.00 H new ATOM 0 HB ILE A 45 5.497 -0.271 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.199 1.987 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.848 2.288 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.944 0.317 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.788 -1.171 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.689 0.357 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.462 3.173 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.659 1.857 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.985 1.552 -1.564 1.00 0.00 H new ATOM 667 N VAL A 46 6.317 -1.338 -1.932 1.00 0.00 N ATOM 668 CA VAL A 46 5.864 -1.483 -3.306 1.00 0.00 C ATOM 669 C VAL A 46 4.563 -2.289 -3.327 1.00 0.00 C ATOM 670 O VAL A 46 4.586 -3.505 -3.508 1.00 0.00 O ATOM 671 CB VAL A 46 6.969 -2.109 -4.158 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.379 -3.006 -5.249 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.871 -1.032 -4.763 1.00 0.00 C ATOM 0 H VAL A 46 5.950 -2.037 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 46 5.649 -0.508 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 46 7.582 -2.732 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.186 -3.439 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.798 -3.805 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.732 -2.414 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.648 -1.504 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.276 -0.371 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.332 -0.453 -3.963 1.00 0.00 H new ATOM 683 N LEU A 47 3.460 -1.579 -3.139 1.00 0.00 N ATOM 684 CA LEU A 47 2.154 -2.213 -3.134 1.00 0.00 C ATOM 685 C LEU A 47 1.677 -2.400 -4.575 1.00 0.00 C ATOM 686 O LEU A 47 2.080 -1.656 -5.468 1.00 0.00 O ATOM 687 CB LEU A 47 1.177 -1.421 -2.262 1.00 0.00 C ATOM 688 CG LEU A 47 1.452 -1.443 -0.757 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.267 -2.850 -0.185 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.839 -0.875 -0.445 1.00 0.00 C ATOM 0 H LEU A 47 3.445 -0.570 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 47 2.214 -3.205 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.181 -0.384 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.172 -1.808 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 47 0.722 -0.799 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.469 -2.837 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.243 -3.181 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.957 -3.536 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.010 -0.902 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.599 -1.473 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.898 0.155 -0.796 1.00 0.00 H new ATOM 701 N ASN A 48 0.826 -3.400 -4.758 1.00 0.00 N ATOM 702 CA ASN A 48 0.291 -3.695 -6.076 1.00 0.00 C ATOM 703 C ASN A 48 -0.690 -4.865 -5.973 1.00 0.00 C ATOM 704 O ASN A 48 -0.283 -6.002 -5.744 1.00 0.00 O ATOM 705 CB ASN A 48 1.404 -4.095 -7.045 1.00 0.00 C ATOM 706 CG ASN A 48 0.848 -4.915 -8.212 1.00 0.00 C ATOM 707 OD1 ASN A 48 -0.334 -4.884 -8.519 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.761 -5.646 -8.844 1.00 0.00 N ATOM 0 H ASN A 48 0.494 -4.016 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.205 -2.798 -6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.897 -3.201 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.160 -4.675 -6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.489 -6.227 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.733 -5.626 -8.536 1.00 0.00 H new ATOM 714 N LEU A 49 -1.964 -4.545 -6.148 1.00 0.00 N ATOM 715 CA LEU A 49 -3.006 -5.554 -6.078 1.00 0.00 C ATOM 716 C LEU A 49 -3.583 -5.783 -7.476 1.00 0.00 C ATOM 717 O LEU A 49 -3.987 -4.835 -8.148 1.00 0.00 O ATOM 718 CB LEU A 49 -4.056 -5.170 -5.033 1.00 0.00 C ATOM 719 CG LEU A 49 -5.378 -4.626 -5.580 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.563 -5.142 -4.761 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.354 -3.099 -5.654 1.00 0.00 C ATOM 0 H LEU A 49 -2.298 -3.600 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.593 -6.506 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.271 -6.048 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.624 -4.420 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.505 -4.995 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.490 -4.741 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.588 -6.231 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.456 -4.822 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.305 -2.739 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.194 -2.689 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.546 -2.779 -6.312 1.00 0.00 H new ATOM 732 N GLU A 50 -3.607 -7.047 -7.872 1.00 0.00 N ATOM 733 CA GLU A 50 -4.129 -7.412 -9.178 1.00 0.00 C ATOM 734 C GLU A 50 -5.580 -7.882 -9.058 1.00 0.00 C ATOM 735 O GLU A 50 -6.321 -7.878 -10.039 1.00 0.00 O ATOM 736 CB GLU A 50 -3.259 -8.485 -9.837 1.00 0.00 C ATOM 737 CG GLU A 50 -2.751 -8.018 -11.203 1.00 0.00 C ATOM 738 CD GLU A 50 -1.660 -6.957 -11.048 1.00 0.00 C ATOM 739 OE1 GLU A 50 -1.795 -5.846 -11.580 1.00 0.00 O ATOM 740 OE2 GLU A 50 -0.641 -7.322 -10.345 1.00 0.00 O ATOM 0 H GLU A 50 -3.273 -7.831 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.105 -6.529 -9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.413 -8.719 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.834 -9.403 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.359 -8.869 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.579 -7.611 -11.783 1.00 0.00 H new ATOM 746 N ASP A 51 -5.943 -8.274 -7.845 1.00 0.00 N ATOM 747 CA ASP A 51 -7.292 -8.745 -7.583 1.00 0.00 C ATOM 748 C ASP A 51 -8.074 -7.655 -6.849 1.00 0.00 C ATOM 749 O ASP A 51 -8.437 -7.824 -5.685 1.00 0.00 O ATOM 750 CB ASP A 51 -7.277 -9.995 -6.699 1.00 0.00 C ATOM 751 CG ASP A 51 -8.652 -10.459 -6.213 1.00 0.00 C ATOM 752 OD1 ASP A 51 -8.777 -11.498 -5.549 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.635 -9.692 -6.546 1.00 0.00 O ATOM 0 H ASP A 51 -5.326 -8.275 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.757 -8.985 -8.539 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.811 -10.809 -7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.648 -9.800 -5.830 1.00 0.00 H new ATOM 758 N LEU A 52 -8.313 -6.562 -7.558 1.00 0.00 N ATOM 759 CA LEU A 52 -9.045 -5.445 -6.987 1.00 0.00 C ATOM 760 C LEU A 52 -10.542 -5.640 -7.240 1.00 0.00 C ATOM 761 O LEU A 52 -11.027 -5.393 -8.343 1.00 0.00 O ATOM 762 CB LEU A 52 -8.500 -4.118 -7.520 1.00 0.00 C ATOM 763 CG LEU A 52 -9.146 -2.852 -6.954 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.668 -2.896 -7.106 1.00 0.00 C ATOM 765 CD2 LEU A 52 -8.721 -2.623 -5.502 1.00 0.00 C ATOM 0 H LEU A 52 -8.012 -6.426 -8.523 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.905 -5.410 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.430 -4.079 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.618 -4.109 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.791 -1.999 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.101 -1.984 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.926 -2.977 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.062 -3.759 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.194 -1.717 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.028 -3.474 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.638 -2.515 -5.453 1.00 0.00 H new ATOM 776 N SER A 53 -11.232 -6.082 -6.199 1.00 0.00 N ATOM 777 CA SER A 53 -12.664 -6.313 -6.294 1.00 0.00 C ATOM 778 C SER A 53 -13.415 -5.308 -5.419 1.00 0.00 C ATOM 779 O SER A 53 -13.832 -4.254 -5.896 1.00 0.00 O ATOM 780 CB SER A 53 -13.018 -7.744 -5.883 1.00 0.00 C ATOM 781 OG SER A 53 -14.417 -7.904 -5.663 1.00 0.00 O ATOM 0 H SER A 53 -10.827 -6.286 -5.286 1.00 0.00 H new ATOM 0 HA SER A 53 -12.965 -6.176 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.691 -8.436 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.476 -8.005 -4.974 1.00 0.00 H new ATOM 0 HG SER A 53 -14.562 -8.513 -4.909 1.00 0.00 H new ATOM 786 N PHE A 54 -13.565 -5.670 -4.153 1.00 0.00 N ATOM 787 CA PHE A 54 -14.260 -4.813 -3.207 1.00 0.00 C ATOM 788 C PHE A 54 -13.401 -3.604 -2.829 1.00 0.00 C ATOM 789 O PHE A 54 -13.734 -2.470 -3.169 1.00 0.00 O ATOM 790 CB PHE A 54 -14.522 -5.649 -1.954 1.00 0.00 C ATOM 791 CG PHE A 54 -15.179 -4.871 -0.812 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.460 -4.433 -0.937 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.482 -4.618 0.328 1.00 0.00 C ATOM 794 CE1 PHE A 54 -17.071 -3.712 0.122 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.093 -3.895 1.387 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.374 -3.457 1.262 1.00 0.00 C ATOM 0 H PHE A 54 -13.217 -6.545 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.185 -4.444 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.160 -6.492 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.577 -6.062 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.013 -4.634 -1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.465 -4.967 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.089 -3.366 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.540 -3.693 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.838 -2.907 2.067 1.00 0.00 H new ATOM 805 N MET A 55 -12.311 -3.888 -2.132 1.00 0.00 N ATOM 806 CA MET A 55 -11.401 -2.840 -1.704 1.00 0.00 C ATOM 807 C MET A 55 -12.165 -1.559 -1.359 1.00 0.00 C ATOM 808 O MET A 55 -12.257 -0.647 -2.179 1.00 0.00 O ATOM 809 CB MET A 55 -10.396 -2.549 -2.820 1.00 0.00 C ATOM 810 CG MET A 55 -9.053 -2.097 -2.243 1.00 0.00 C ATOM 811 SD MET A 55 -7.760 -3.216 -2.754 1.00 0.00 S ATOM 812 CE MET A 55 -8.672 -4.750 -2.781 1.00 0.00 C ATOM 0 H MET A 55 -12.037 -4.830 -1.853 1.00 0.00 H new ATOM 0 HA MET A 55 -10.877 -3.181 -0.811 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.253 -3.443 -3.428 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.792 -1.776 -3.479 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.825 -1.086 -2.581 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.108 -2.065 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.000 -5.577 -2.551 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.469 -4.713 -2.038 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.105 -4.899 -3.770 1.00 0.00 H new ATOM 820 N ASP A 56 -12.693 -1.532 -0.144 1.00 0.00 N ATOM 821 CA ASP A 56 -13.446 -0.378 0.319 1.00 0.00 C ATOM 822 C ASP A 56 -12.589 0.423 1.301 1.00 0.00 C ATOM 823 O ASP A 56 -11.362 0.376 1.241 1.00 0.00 O ATOM 824 CB ASP A 56 -14.721 -0.809 1.046 1.00 0.00 C ATOM 825 CG ASP A 56 -15.885 0.180 0.952 1.00 0.00 C ATOM 826 OD1 ASP A 56 -15.985 0.957 -0.009 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.723 0.131 1.931 1.00 0.00 O ATOM 0 H ASP A 56 -12.614 -2.290 0.534 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.712 0.223 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.045 -1.768 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.485 -0.970 2.098 1.00 0.00 H new ATOM 832 N SER A 57 -13.270 1.141 2.183 1.00 0.00 N ATOM 833 CA SER A 57 -12.587 1.951 3.176 1.00 0.00 C ATOM 834 C SER A 57 -12.511 1.197 4.505 1.00 0.00 C ATOM 835 O SER A 57 -11.909 1.679 5.464 1.00 0.00 O ATOM 836 CB SER A 57 -13.290 3.296 3.368 1.00 0.00 C ATOM 837 OG SER A 57 -14.671 3.230 3.022 1.00 0.00 O ATOM 0 H SER A 57 -14.288 1.178 2.230 1.00 0.00 H new ATOM 0 HA SER A 57 -11.576 2.148 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.191 3.612 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.799 4.053 2.756 1.00 0.00 H new ATOM 0 HG SER A 57 -15.085 4.107 3.160 1.00 0.00 H new ATOM 842 N SER A 58 -13.131 0.025 4.520 1.00 0.00 N ATOM 843 CA SER A 58 -13.141 -0.800 5.716 1.00 0.00 C ATOM 844 C SER A 58 -11.709 -1.149 6.123 1.00 0.00 C ATOM 845 O SER A 58 -11.476 -1.641 7.227 1.00 0.00 O ATOM 846 CB SER A 58 -13.957 -2.076 5.497 1.00 0.00 C ATOM 847 OG SER A 58 -15.188 -1.815 4.828 1.00 0.00 O ATOM 0 H SER A 58 -13.629 -0.372 3.723 1.00 0.00 H new ATOM 0 HA SER A 58 -13.612 -0.233 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.371 -2.785 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.160 -2.546 6.459 1.00 0.00 H new ATOM 0 HG SER A 58 -15.678 -2.655 4.706 1.00 0.00 H new ATOM 852 N GLY A 59 -10.786 -0.881 5.211 1.00 0.00 N ATOM 853 CA GLY A 59 -9.382 -1.161 5.462 1.00 0.00 C ATOM 854 C GLY A 59 -8.516 0.060 5.150 1.00 0.00 C ATOM 855 O GLY A 59 -7.290 -0.003 5.243 1.00 0.00 O ATOM 0 H GLY A 59 -10.983 -0.473 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.246 -1.451 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.061 -2.005 4.851 1.00 0.00 H new ATOM 859 N LEU A 60 -9.185 1.145 4.788 1.00 0.00 N ATOM 860 CA LEU A 60 -8.491 2.379 4.462 1.00 0.00 C ATOM 861 C LEU A 60 -7.532 2.735 5.599 1.00 0.00 C ATOM 862 O LEU A 60 -6.336 2.914 5.374 1.00 0.00 O ATOM 863 CB LEU A 60 -9.495 3.487 4.135 1.00 0.00 C ATOM 864 CG LEU A 60 -9.057 4.496 3.070 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.636 4.134 1.702 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.417 5.923 3.487 1.00 0.00 C ATOM 0 H LEU A 60 -10.201 1.195 4.713 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.887 2.251 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.425 3.022 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.718 4.031 5.053 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.972 4.451 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.310 4.866 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.287 3.144 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.725 4.134 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.095 6.620 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.496 6.002 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.917 6.165 4.425 1.00 0.00 H new ATOM 877 N GLY A 61 -8.092 2.826 6.797 1.00 0.00 N ATOM 878 CA GLY A 61 -7.301 3.158 7.969 1.00 0.00 C ATOM 879 C GLY A 61 -6.101 2.217 8.105 1.00 0.00 C ATOM 880 O GLY A 61 -5.008 2.648 8.471 1.00 0.00 O ATOM 0 H GLY A 61 -9.084 2.675 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.953 4.189 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.922 3.092 8.862 1.00 0.00 H new ATOM 884 N VAL A 62 -6.346 0.951 7.802 1.00 0.00 N ATOM 885 CA VAL A 62 -5.299 -0.054 7.886 1.00 0.00 C ATOM 886 C VAL A 62 -4.168 0.314 6.925 1.00 0.00 C ATOM 887 O VAL A 62 -3.032 -0.126 7.100 1.00 0.00 O ATOM 888 CB VAL A 62 -5.884 -1.442 7.618 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.302 -2.045 6.338 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.660 -2.372 8.813 1.00 0.00 C ATOM 0 H VAL A 62 -7.253 0.598 7.498 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.876 -0.083 8.890 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.959 -1.330 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.735 -3.031 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.536 -1.398 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.220 -2.135 6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.085 -3.352 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.591 -2.474 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.144 -1.954 9.695 1.00 0.00 H new ATOM 900 N ILE A 63 -4.516 1.116 5.929 1.00 0.00 N ATOM 901 CA ILE A 63 -3.544 1.547 4.940 1.00 0.00 C ATOM 902 C ILE A 63 -3.074 2.963 5.277 1.00 0.00 C ATOM 903 O ILE A 63 -1.894 3.282 5.129 1.00 0.00 O ATOM 904 CB ILE A 63 -4.119 1.410 3.528 1.00 0.00 C ATOM 905 CG1 ILE A 63 -4.141 -0.055 3.085 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.361 2.297 2.539 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.558 -0.495 2.716 1.00 0.00 C ATOM 0 H ILE A 63 -5.459 1.479 5.786 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.664 0.904 4.965 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.152 1.757 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.480 -0.190 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.757 -0.687 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.790 2.181 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.441 3.339 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.311 2.004 2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.545 -1.540 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.211 -0.382 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.929 0.123 1.898 1.00 0.00 H new ATOM 918 N LEU A 64 -4.020 3.775 5.724 1.00 0.00 N ATOM 919 CA LEU A 64 -3.716 5.151 6.084 1.00 0.00 C ATOM 920 C LEU A 64 -2.792 5.163 7.304 1.00 0.00 C ATOM 921 O LEU A 64 -1.800 5.888 7.327 1.00 0.00 O ATOM 922 CB LEU A 64 -5.007 5.949 6.283 1.00 0.00 C ATOM 923 CG LEU A 64 -5.010 7.370 5.714 1.00 0.00 C ATOM 924 CD1 LEU A 64 -6.167 7.565 4.733 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.028 8.410 6.837 1.00 0.00 C ATOM 0 H LEU A 64 -4.997 3.508 5.845 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.181 5.648 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.828 5.395 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.215 6.006 7.351 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.086 7.516 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.146 8.583 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.068 6.859 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.113 7.393 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.030 9.411 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.923 8.275 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.144 8.286 7.462 1.00 0.00 H new ATOM 936 N GLY A 65 -3.152 4.350 8.287 1.00 0.00 N ATOM 937 CA GLY A 65 -2.367 4.258 9.506 1.00 0.00 C ATOM 938 C GLY A 65 -1.024 3.575 9.243 1.00 0.00 C ATOM 939 O GLY A 65 -0.135 3.598 10.093 1.00 0.00 O ATOM 0 H GLY A 65 -3.976 3.750 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.198 5.256 9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.922 3.699 10.259 1.00 0.00 H new ATOM 943 N ARG A 66 -0.918 2.983 8.062 1.00 0.00 N ATOM 944 CA ARG A 66 0.302 2.294 7.677 1.00 0.00 C ATOM 945 C ARG A 66 1.151 3.185 6.768 1.00 0.00 C ATOM 946 O ARG A 66 2.377 3.093 6.773 1.00 0.00 O ATOM 947 CB ARG A 66 -0.011 0.985 6.948 1.00 0.00 C ATOM 948 CG ARG A 66 0.545 -0.216 7.716 1.00 0.00 C ATOM 949 CD ARG A 66 1.824 -0.742 7.062 1.00 0.00 C ATOM 950 NE ARG A 66 1.530 -1.969 6.290 1.00 0.00 N ATOM 951 CZ ARG A 66 2.235 -2.370 5.210 1.00 0.00 C ATOM 952 NH1 ARG A 66 3.282 -1.643 4.766 1.00 0.00 N ATOM 953 NH2 ARG A 66 1.885 -3.485 4.595 1.00 0.00 N ATOM 0 H ARG A 66 -1.657 2.966 7.359 1.00 0.00 H new ATOM 0 HA ARG A 66 0.855 2.066 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.089 0.879 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.418 1.011 5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.751 0.071 8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.203 -1.008 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.246 0.019 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.572 -0.954 7.826 1.00 0.00 H new ATOM 0 HE ARG A 66 0.746 -2.548 6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.546 -0.783 5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.809 -1.953 3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.093 -4.029 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.407 -3.802 3.778 1.00 0.00 H new ATOM 963 N TYR A 67 0.464 4.027 6.011 1.00 0.00 N ATOM 964 CA TYR A 67 1.139 4.934 5.098 1.00 0.00 C ATOM 965 C TYR A 67 2.105 5.851 5.852 1.00 0.00 C ATOM 966 O TYR A 67 3.174 6.185 5.343 1.00 0.00 O ATOM 967 CB TYR A 67 0.040 5.786 4.460 1.00 0.00 C ATOM 968 CG TYR A 67 0.301 6.144 2.995 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.020 7.279 2.681 1.00 0.00 C ATOM 970 CD2 TYR A 67 -0.181 5.331 1.989 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.266 7.616 1.302 1.00 0.00 C ATOM 972 CE2 TYR A 67 0.066 5.669 0.611 1.00 0.00 C ATOM 973 CZ TYR A 67 0.777 6.794 0.336 1.00 0.00 C ATOM 974 OH TYR A 67 1.010 7.112 -0.966 1.00 0.00 O ATOM 0 H TYR A 67 -0.553 4.101 6.011 1.00 0.00 H new ATOM 0 HA TYR A 67 1.717 4.377 4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.907 5.250 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.071 6.706 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.398 7.914 3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.743 4.442 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.826 8.502 1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.306 5.042 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 67 0.569 6.457 -1.547 1.00 0.00 H new ATOM 983 N LYS A 68 1.694 6.232 7.051 1.00 0.00 N ATOM 984 CA LYS A 68 2.509 7.104 7.880 1.00 0.00 C ATOM 985 C LYS A 68 3.500 6.257 8.682 1.00 0.00 C ATOM 986 O LYS A 68 4.571 6.734 9.053 1.00 0.00 O ATOM 987 CB LYS A 68 1.624 8.001 8.748 1.00 0.00 C ATOM 988 CG LYS A 68 0.423 8.518 7.955 1.00 0.00 C ATOM 989 CD LYS A 68 0.812 9.722 7.093 1.00 0.00 C ATOM 990 CE LYS A 68 0.360 11.031 7.745 1.00 0.00 C ATOM 991 NZ LYS A 68 0.308 12.118 6.743 1.00 0.00 N ATOM 0 H LYS A 68 0.807 5.953 7.469 1.00 0.00 H new ATOM 0 HA LYS A 68 3.096 7.781 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.277 7.443 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.208 8.843 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.032 7.723 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.376 8.800 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.892 9.737 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.360 9.628 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.623 10.898 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.047 11.301 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.747 12.975 7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.823 11.827 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.683 12.318 6.499 1.00 0.00 H new ATOM 1000 N GLN A 69 3.108 5.016 8.926 1.00 0.00 N ATOM 1001 CA GLN A 69 3.948 4.099 9.677 1.00 0.00 C ATOM 1002 C GLN A 69 4.851 3.310 8.728 1.00 0.00 C ATOM 1003 O GLN A 69 5.769 2.619 9.170 1.00 0.00 O ATOM 1004 CB GLN A 69 3.101 3.158 10.536 1.00 0.00 C ATOM 1005 CG GLN A 69 3.347 3.405 12.026 1.00 0.00 C ATOM 1006 CD GLN A 69 3.306 4.900 12.349 1.00 0.00 C ATOM 1007 OE1 GLN A 69 2.845 5.717 11.567 1.00 0.00 O ATOM 1008 NE2 GLN A 69 3.812 5.211 13.538 1.00 0.00 N ATOM 0 H GLN A 69 2.219 4.623 8.617 1.00 0.00 H new ATOM 0 HA GLN A 69 4.579 4.681 10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.045 3.304 10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.339 2.123 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.593 2.882 12.614 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.316 2.994 12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.181 4.477 14.143 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.831 6.183 13.846 1.00 0.00 H new ATOM 1015 N ILE A 70 4.562 3.439 7.442 1.00 0.00 N ATOM 1016 CA ILE A 70 5.337 2.746 6.426 1.00 0.00 C ATOM 1017 C ILE A 70 6.368 3.709 5.832 1.00 0.00 C ATOM 1018 O ILE A 70 7.475 3.301 5.484 1.00 0.00 O ATOM 1019 CB ILE A 70 4.413 2.115 5.384 1.00 0.00 C ATOM 1020 CG1 ILE A 70 5.164 1.085 4.537 1.00 0.00 C ATOM 1021 CG2 ILE A 70 3.744 3.187 4.522 1.00 0.00 C ATOM 1022 CD1 ILE A 70 5.903 0.080 5.423 1.00 0.00 C ATOM 0 H ILE A 70 3.801 4.014 7.079 1.00 0.00 H new ATOM 0 HA ILE A 70 5.891 1.918 6.869 1.00 0.00 H new ATOM 0 HB ILE A 70 3.620 1.584 5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.461 0.558 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.875 1.593 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.092 2.711 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.154 3.848 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.508 3.767 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.428 -0.641 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.622 0.607 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.186 -0.444 6.055 1.00 0.00 H new ATOM 1033 N LYS A 71 5.966 4.968 5.737 1.00 0.00 N ATOM 1034 CA LYS A 71 6.841 5.992 5.190 1.00 0.00 C ATOM 1035 C LYS A 71 7.914 6.343 6.222 1.00 0.00 C ATOM 1036 O LYS A 71 8.986 6.832 5.868 1.00 0.00 O ATOM 1037 CB LYS A 71 6.025 7.197 4.718 1.00 0.00 C ATOM 1038 CG LYS A 71 6.025 7.294 3.191 1.00 0.00 C ATOM 1039 CD LYS A 71 6.555 8.653 2.728 1.00 0.00 C ATOM 1040 CE LYS A 71 5.754 9.796 3.353 1.00 0.00 C ATOM 1041 NZ LYS A 71 6.642 10.932 3.683 1.00 0.00 N ATOM 0 H LYS A 71 5.048 5.302 6.029 1.00 0.00 H new ATOM 0 HA LYS A 71 7.358 5.619 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.001 7.112 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.439 8.111 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.641 6.498 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.013 7.146 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.606 8.749 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.500 8.718 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.977 10.123 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.252 9.445 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.082 11.699 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.368 10.620 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.101 11.277 2.816 1.00 0.00 H new ATOM 1050 N GLN A 72 7.589 6.080 7.480 1.00 0.00 N ATOM 1051 CA GLN A 72 8.512 6.362 8.566 1.00 0.00 C ATOM 1052 C GLN A 72 9.674 5.368 8.547 1.00 0.00 C ATOM 1053 O GLN A 72 10.804 5.720 8.883 1.00 0.00 O ATOM 1054 CB GLN A 72 7.793 6.340 9.917 1.00 0.00 C ATOM 1055 CG GLN A 72 8.712 5.808 11.018 1.00 0.00 C ATOM 1056 CD GLN A 72 8.584 6.648 12.292 1.00 0.00 C ATOM 1057 OE1 GLN A 72 7.499 6.992 12.731 1.00 0.00 O ATOM 1058 NE2 GLN A 72 9.748 6.956 12.857 1.00 0.00 N ATOM 0 H GLN A 72 6.699 5.675 7.771 1.00 0.00 H new ATOM 0 HA GLN A 72 8.915 7.365 8.423 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.459 7.346 10.172 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.902 5.716 9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.461 4.770 11.236 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.746 5.821 10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.620 6.635 12.436 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.769 7.513 13.711 1.00 0.00 H new ATOM 1065 N ILE A 73 9.357 4.144 8.149 1.00 0.00 N ATOM 1066 CA ILE A 73 10.362 3.096 8.082 1.00 0.00 C ATOM 1067 C ILE A 73 10.303 2.427 6.707 1.00 0.00 C ATOM 1068 O ILE A 73 10.638 1.252 6.570 1.00 0.00 O ATOM 1069 CB ILE A 73 10.196 2.119 9.248 1.00 0.00 C ATOM 1070 CG1 ILE A 73 9.528 2.801 10.443 1.00 0.00 C ATOM 1071 CG2 ILE A 73 11.535 1.484 9.626 1.00 0.00 C ATOM 1072 CD1 ILE A 73 8.003 2.766 10.314 1.00 0.00 C ATOM 0 H ILE A 73 8.419 3.855 7.870 1.00 0.00 H new ATOM 0 HA ILE A 73 11.361 3.519 8.190 1.00 0.00 H new ATOM 0 HB ILE A 73 9.537 1.313 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.830 2.304 11.365 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.867 3.835 10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.389 0.794 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.935 0.941 8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.237 2.264 9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.553 3.258 11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.703 3.285 9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.665 1.731 10.270 1.00 0.00 H new ATOM 1083 N GLY A 74 9.876 3.206 5.724 1.00 0.00 N ATOM 1084 CA GLY A 74 9.770 2.704 4.365 1.00 0.00 C ATOM 1085 C GLY A 74 10.202 3.767 3.352 1.00 0.00 C ATOM 1086 O GLY A 74 10.022 3.592 2.148 1.00 0.00 O ATOM 0 H GLY A 74 9.600 4.181 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.391 1.815 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.742 2.402 4.164 1.00 0.00 H new ATOM 1090 N GLY A 75 10.765 4.845 3.879 1.00 0.00 N ATOM 1091 CA GLY A 75 11.225 5.935 3.036 1.00 0.00 C ATOM 1092 C GLY A 75 10.051 6.607 2.319 1.00 0.00 C ATOM 1093 O GLY A 75 9.827 7.806 2.479 1.00 0.00 O ATOM 0 H GLY A 75 10.913 4.986 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.754 6.670 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.936 5.556 2.301 1.00 0.00 H new ATOM 1097 N GLU A 76 9.334 5.805 1.546 1.00 0.00 N ATOM 1098 CA GLU A 76 8.190 6.308 0.805 1.00 0.00 C ATOM 1099 C GLU A 76 7.131 5.213 0.658 1.00 0.00 C ATOM 1100 O GLU A 76 7.461 4.029 0.600 1.00 0.00 O ATOM 1101 CB GLU A 76 8.616 6.847 -0.562 1.00 0.00 C ATOM 1102 CG GLU A 76 10.045 7.390 -0.517 1.00 0.00 C ATOM 1103 CD GLU A 76 10.080 8.791 0.096 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.055 9.492 0.102 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.221 9.148 0.579 1.00 0.00 O ATOM 0 H GLU A 76 9.523 4.811 1.417 1.00 0.00 H new ATOM 0 HA GLU A 76 7.754 7.136 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.548 6.054 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.933 7.637 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.675 6.718 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.458 7.420 -1.525 1.00 0.00 H new ATOM 1111 N MET A 77 5.881 5.646 0.600 1.00 0.00 N ATOM 1112 CA MET A 77 4.772 4.718 0.460 1.00 0.00 C ATOM 1113 C MET A 77 4.231 4.722 -0.971 1.00 0.00 C ATOM 1114 O MET A 77 3.846 5.768 -1.490 1.00 0.00 O ATOM 1115 CB MET A 77 3.655 5.108 1.430 1.00 0.00 C ATOM 1116 CG MET A 77 2.740 3.916 1.719 1.00 0.00 C ATOM 1117 SD MET A 77 1.925 3.394 0.219 1.00 0.00 S ATOM 1118 CE MET A 77 0.504 2.563 0.911 1.00 0.00 C ATOM 0 H MET A 77 5.611 6.628 0.647 1.00 0.00 H new ATOM 0 HA MET A 77 5.131 3.715 0.689 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.088 5.473 2.361 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.071 5.926 1.008 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.322 3.092 2.132 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.998 4.190 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.560 1.498 0.686 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.490 2.706 1.992 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.406 2.978 0.478 1.00 0.00 H new ATOM 1126 N VAL A 78 4.219 3.539 -1.568 1.00 0.00 N ATOM 1127 CA VAL A 78 3.732 3.393 -2.929 1.00 0.00 C ATOM 1128 C VAL A 78 2.463 2.539 -2.922 1.00 0.00 C ATOM 1129 O VAL A 78 2.248 1.744 -2.007 1.00 0.00 O ATOM 1130 CB VAL A 78 4.834 2.817 -3.820 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.298 1.677 -4.687 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.468 3.911 -4.683 1.00 0.00 C ATOM 0 H VAL A 78 4.539 2.673 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 78 3.469 4.365 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 78 5.610 2.409 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.102 1.285 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.915 0.882 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.495 2.050 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.248 3.476 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.705 4.362 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.903 4.676 -4.039 1.00 0.00 H new ATOM 1142 N VAL A 79 1.652 2.732 -3.953 1.00 0.00 N ATOM 1143 CA VAL A 79 0.409 1.990 -4.077 1.00 0.00 C ATOM 1144 C VAL A 79 -0.111 2.110 -5.510 1.00 0.00 C ATOM 1145 O VAL A 79 -0.332 3.216 -6.003 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.598 2.477 -3.032 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.082 3.891 -3.356 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.776 1.507 -2.913 1.00 0.00 C ATOM 0 H VAL A 79 1.832 3.392 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 79 0.575 0.931 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.092 2.509 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.796 4.214 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.232 4.573 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.563 3.896 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.477 1.876 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.281 1.429 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.410 0.525 -2.614 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.292 0.959 -6.140 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.782 0.921 -7.507 1.00 0.00 C ATOM 1160 C CYS A 80 -2.059 0.079 -7.537 1.00 0.00 C ATOM 1161 O CYS A 80 -2.593 -0.283 -6.489 1.00 0.00 O ATOM 1162 CB CYS A 80 0.277 0.387 -8.473 1.00 0.00 C ATOM 1163 SG CYS A 80 1.851 0.103 -7.583 1.00 0.00 S ATOM 0 H CYS A 80 -0.108 0.044 -5.728 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.008 1.933 -7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.067 -0.543 -8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.432 1.098 -9.285 1.00 0.00 H new ATOM 0 HG CYS A 80 1.679 -0.816 -6.680 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.512 -0.207 -8.748 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.717 -0.999 -8.929 1.00 0.00 C ATOM 1170 C ALA A 81 -4.929 -0.189 -8.463 1.00 0.00 C ATOM 1171 O ALA A 81 -5.590 -0.556 -7.493 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.576 -2.322 -8.174 1.00 0.00 C ATOM 0 H ALA A 81 -2.066 0.095 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.865 -1.238 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.480 -2.916 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.718 -2.872 -8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.429 -2.121 -7.113 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.185 0.896 -9.179 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.306 1.761 -8.852 1.00 0.00 C ATOM 1180 C ILE A 82 -7.544 1.298 -9.623 1.00 0.00 C ATOM 1181 O ILE A 82 -7.434 0.523 -10.572 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.942 3.227 -9.095 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.919 4.161 -8.380 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.854 3.528 -10.593 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.860 3.957 -6.864 1.00 0.00 C ATOM 0 H ILE A 82 -4.635 1.196 -9.984 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.545 1.689 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.955 3.409 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.680 5.197 -8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.932 3.976 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.594 4.576 -10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.089 2.898 -11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.817 3.324 -11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.564 4.633 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.123 2.926 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.851 4.166 -6.508 1.00 0.00 H new ATOM 1196 N SER A 83 -8.693 1.794 -9.187 1.00 0.00 N ATOM 1197 CA SER A 83 -9.950 1.439 -9.825 1.00 0.00 C ATOM 1198 C SER A 83 -10.890 2.647 -9.834 1.00 0.00 C ATOM 1199 O SER A 83 -10.729 3.569 -9.034 1.00 0.00 O ATOM 1200 CB SER A 83 -10.612 0.255 -9.119 1.00 0.00 C ATOM 1201 OG SER A 83 -10.696 -0.890 -9.963 1.00 0.00 O ATOM 0 H SER A 83 -8.780 2.438 -8.401 1.00 0.00 H new ATOM 0 HA SER A 83 -9.741 1.141 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.045 0.004 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.613 0.540 -8.794 1.00 0.00 H new ATOM 0 HG SER A 83 -11.482 -1.421 -9.717 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.875 2.602 -10.769 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.842 3.680 -10.892 1.00 0.00 C ATOM 1208 C PRO A 84 -13.868 3.628 -9.757 1.00 0.00 C ATOM 1209 O PRO A 84 -14.603 4.589 -9.537 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.465 3.496 -12.266 1.00 0.00 C ATOM 1211 CG PRO A 84 -13.165 2.062 -12.670 1.00 0.00 C ATOM 1212 CD PRO A 84 -12.096 1.526 -11.731 1.00 0.00 C ATOM 0 HA PRO A 84 -12.386 4.666 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.539 3.677 -12.235 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.044 4.200 -12.983 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.066 1.452 -12.610 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.821 2.021 -13.703 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.426 0.613 -11.235 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -11.181 1.283 -12.271 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.885 2.497 -9.069 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.808 2.307 -7.963 1.00 0.00 C ATOM 1219 C ALA A 85 -14.018 1.993 -6.691 1.00 0.00 C ATOM 1220 O ALA A 85 -14.502 1.279 -5.816 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.807 1.203 -8.316 1.00 0.00 C ATOM 0 H ALA A 85 -13.274 1.702 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.378 3.217 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.500 1.060 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -16.364 1.488 -9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -15.270 0.273 -8.505 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.813 2.543 -6.631 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.951 2.330 -5.481 1.00 0.00 C ATOM 1229 C VAL A 86 -11.186 3.621 -5.178 1.00 0.00 C ATOM 1230 O VAL A 86 -10.992 3.973 -4.016 1.00 0.00 O ATOM 1231 CB VAL A 86 -11.031 1.135 -5.731 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.565 1.514 -5.505 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.430 -0.056 -4.858 1.00 0.00 C ATOM 0 H VAL A 86 -12.414 3.135 -7.360 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.543 2.087 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.143 0.839 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.932 0.646 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.287 2.317 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.430 1.849 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.760 -0.893 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.361 0.224 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.454 -0.349 -5.089 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.771 4.289 -6.244 1.00 0.00 N ATOM 1244 CA LYS A 87 -10.031 5.532 -6.106 1.00 0.00 C ATOM 1245 C LYS A 87 -10.969 6.624 -5.587 1.00 0.00 C ATOM 1246 O LYS A 87 -10.518 7.693 -5.179 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.338 5.892 -7.422 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.989 7.117 -8.068 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.657 7.191 -9.559 1.00 0.00 C ATOM 1250 CE LYS A 87 -8.467 8.121 -9.811 1.00 0.00 C ATOM 1251 NZ LYS A 87 -7.648 7.621 -10.937 1.00 0.00 N ATOM 0 H LYS A 87 -10.933 3.993 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.233 5.421 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.282 6.091 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.388 5.046 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.070 7.072 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.643 8.023 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.429 6.193 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.526 7.549 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.824 9.127 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.855 8.191 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.845 8.263 -11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.292 6.670 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.230 7.577 -11.797 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.258 6.318 -5.619 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.264 7.259 -5.158 1.00 0.00 C ATOM 1262 C ARG A 88 -13.206 7.392 -3.634 1.00 0.00 C ATOM 1263 O ARG A 88 -13.616 8.411 -3.080 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.668 6.812 -5.570 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.221 5.772 -4.595 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.545 4.415 -4.800 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.504 3.324 -4.515 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.629 3.101 -5.226 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.948 3.894 -6.270 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.415 2.097 -4.884 1.00 0.00 N ATOM 0 H ARG A 88 -12.629 5.430 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.052 8.223 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.333 7.675 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.640 6.393 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.064 6.109 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.297 5.671 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.181 4.332 -5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.678 4.329 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.302 2.702 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.337 4.669 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.800 3.718 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.168 1.503 -4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.269 1.915 -5.411 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.694 6.347 -3.000 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.578 6.335 -1.551 1.00 0.00 C ATOM 1282 C LEU A 89 -11.654 7.471 -1.108 1.00 0.00 C ATOM 1283 O LEU A 89 -11.935 8.158 -0.127 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.133 4.955 -1.062 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.227 3.887 -0.983 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.665 2.502 -1.312 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.922 3.914 0.380 1.00 0.00 C ATOM 0 H LEU A 89 -12.355 5.503 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.549 6.515 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.346 4.593 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.690 5.067 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.983 4.115 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.462 1.761 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.253 2.507 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.879 2.250 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.695 3.146 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.190 3.723 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.377 4.892 0.537 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.571 7.635 -1.853 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.604 8.677 -1.549 1.00 0.00 C ATOM 1300 C PHE A 90 -9.948 9.975 -2.284 1.00 0.00 C ATOM 1301 O PHE A 90 -9.557 11.058 -1.853 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.242 8.177 -2.033 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.917 6.744 -1.605 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -7.523 6.488 -0.329 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -8.023 5.727 -2.501 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.222 5.158 0.068 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.721 4.396 -2.105 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.328 4.140 -0.828 1.00 0.00 C ATOM 0 H PHE A 90 -10.341 7.064 -2.666 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.605 8.885 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.210 8.236 -3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.467 8.843 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.439 7.296 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.337 5.931 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.909 4.955 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.803 3.588 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.100 3.129 -0.526 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.676 9.821 -3.380 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.076 10.968 -4.179 1.00 0.00 C ATOM 1319 C ASP A 91 -12.207 11.711 -3.465 1.00 0.00 C ATOM 1320 O ASP A 91 -12.298 12.935 -3.547 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.590 10.530 -5.552 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.833 11.118 -6.744 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.437 10.392 -7.670 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -10.649 12.393 -6.699 1.00 0.00 O ATOM 0 H ASP A 91 -10.999 8.921 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.205 11.610 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.542 9.443 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.641 10.808 -5.635 1.00 0.00 H new ATOM 1329 N MET A 92 -13.040 10.940 -2.782 1.00 0.00 N ATOM 1330 CA MET A 92 -14.161 11.510 -2.055 1.00 0.00 C ATOM 1331 C MET A 92 -13.692 12.169 -0.755 1.00 0.00 C ATOM 1332 O MET A 92 -14.156 13.253 -0.402 1.00 0.00 O ATOM 1333 CB MET A 92 -15.173 10.409 -1.733 1.00 0.00 C ATOM 1334 CG MET A 92 -16.359 10.969 -0.942 1.00 0.00 C ATOM 1335 SD MET A 92 -17.692 9.782 -0.920 1.00 0.00 S ATOM 1336 CE MET A 92 -17.749 9.414 0.826 1.00 0.00 C ATOM 0 H MET A 92 -12.961 9.925 -2.717 1.00 0.00 H new ATOM 0 HA MET A 92 -14.627 12.272 -2.680 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.530 9.956 -2.658 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.687 9.620 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.050 11.201 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.699 11.902 -1.392 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.534 8.682 1.018 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.789 9.008 1.144 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.959 10.327 1.384 1.00 0.00 H new ATOM 1344 N SER A 93 -12.780 11.487 -0.078 1.00 0.00 N ATOM 1345 CA SER A 93 -12.244 11.993 1.174 1.00 0.00 C ATOM 1346 C SER A 93 -11.456 13.280 0.925 1.00 0.00 C ATOM 1347 O SER A 93 -11.736 14.312 1.534 1.00 0.00 O ATOM 1348 CB SER A 93 -11.355 10.950 1.854 1.00 0.00 C ATOM 1349 OG SER A 93 -11.616 10.856 3.252 1.00 0.00 O ATOM 0 H SER A 93 -12.399 10.588 -0.373 1.00 0.00 H new ATOM 0 HA SER A 93 -13.079 12.210 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.516 9.978 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.308 11.209 1.697 1.00 0.00 H new ATOM 0 HG SER A 93 -11.030 10.179 3.649 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.487 13.178 0.027 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.656 14.321 -0.310 1.00 0.00 C ATOM 1356 C GLY A 94 -8.284 14.219 0.360 1.00 0.00 C ATOM 1357 O GLY A 94 -7.505 15.171 0.334 1.00 0.00 O ATOM 0 H GLY A 94 -10.259 12.321 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.533 14.379 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.151 15.240 0.004 1.00 0.00 H new ATOM 1361 N LEU A 95 -8.031 13.058 0.945 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.767 12.820 1.621 1.00 0.00 C ATOM 1363 C LEU A 95 -5.919 11.860 0.784 1.00 0.00 C ATOM 1364 O LEU A 95 -4.904 11.350 1.255 1.00 0.00 O ATOM 1365 CB LEU A 95 -7.007 12.338 3.053 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.929 12.704 4.074 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -6.218 14.064 4.713 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -5.768 11.601 5.122 1.00 0.00 C ATOM 0 H LEU A 95 -8.680 12.271 0.965 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.203 13.749 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.958 12.744 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.111 11.253 3.037 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.978 12.790 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.436 14.300 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.242 14.832 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.182 14.030 5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.995 11.887 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.712 11.458 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.482 10.671 4.631 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.367 11.643 -0.445 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.661 10.754 -1.352 1.00 0.00 C ATOM 1381 C PHE A 96 -4.151 10.990 -1.289 1.00 0.00 C ATOM 1382 O PHE A 96 -3.365 10.070 -1.508 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.156 11.072 -2.765 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.505 9.836 -3.595 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.884 8.652 -3.347 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.437 9.921 -4.583 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.208 7.504 -4.117 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.760 8.773 -5.353 1.00 0.00 C ATOM 1389 CZ PHE A 96 -7.139 7.589 -5.105 1.00 0.00 C ATOM 0 H PHE A 96 -7.209 12.067 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.851 9.716 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.037 11.711 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.389 11.643 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.144 8.585 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.930 10.861 -4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.715 6.564 -3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.500 8.840 -6.137 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.385 6.717 -5.692 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.791 12.229 -0.986 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.389 12.597 -0.890 1.00 0.00 C ATOM 1400 C LYS A 97 -1.723 11.774 0.215 1.00 0.00 C ATOM 1401 O LYS A 97 -0.505 11.607 0.221 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.244 14.110 -0.701 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.075 14.872 -1.735 1.00 0.00 C ATOM 1404 CD LYS A 97 -4.120 15.757 -1.052 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.973 16.494 -2.086 1.00 0.00 C ATOM 1406 NZ LYS A 97 -4.129 17.381 -2.918 1.00 0.00 N ATOM 0 H LYS A 97 -4.446 12.990 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.870 12.362 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.563 14.387 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.195 14.393 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.420 15.487 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.570 14.166 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.760 15.146 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.623 16.479 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.489 15.773 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.740 17.081 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.733 18.053 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.470 17.905 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.590 16.809 -3.599 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.553 11.280 1.122 1.00 0.00 N ATOM 1416 CA ILE A 98 -2.061 10.478 2.229 1.00 0.00 C ATOM 1417 C ILE A 98 -1.869 9.033 1.760 1.00 0.00 C ATOM 1418 O ILE A 98 -1.170 8.255 2.407 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.983 10.613 3.442 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.196 11.027 4.686 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.782 9.328 3.669 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -2.137 9.886 5.702 1.00 0.00 C ATOM 0 H ILE A 98 -3.563 11.420 1.113 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.087 10.840 2.558 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.702 11.407 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.185 11.318 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.662 11.901 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.429 9.451 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.390 9.118 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.096 8.499 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.572 10.207 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.149 9.614 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.648 9.022 5.251 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.502 8.720 0.640 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.411 7.383 0.077 1.00 0.00 C ATOM 1435 C ILE A 99 -1.556 7.425 -1.191 1.00 0.00 C ATOM 1436 O ILE A 99 -1.101 6.389 -1.673 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.806 6.796 -0.141 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -4.249 5.970 1.068 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.865 5.988 -1.439 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -4.937 6.852 2.113 1.00 0.00 C ATOM 0 H ILE A 99 -3.080 9.369 0.106 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.914 6.710 0.775 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.511 7.621 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.931 5.183 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.384 5.479 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.868 5.582 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.623 6.635 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.146 5.170 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.242 6.240 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.244 7.623 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.815 7.322 1.671 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.364 8.635 -1.697 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.572 8.827 -2.900 1.00 0.00 C ATOM 1453 C ARG A 100 -0.665 7.592 -3.798 1.00 0.00 C ATOM 1454 O ARG A 100 0.188 6.708 -3.734 1.00 0.00 O ATOM 1455 CB ARG A 100 0.895 9.091 -2.558 1.00 0.00 C ATOM 1456 CG ARG A 100 1.416 10.326 -3.295 1.00 0.00 C ATOM 1457 CD ARG A 100 2.041 11.325 -2.318 1.00 0.00 C ATOM 1458 NE ARG A 100 3.060 12.143 -3.014 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.358 11.792 -3.134 1.00 0.00 C ATOM 1460 NH1 ARG A 100 4.806 10.634 -2.606 1.00 0.00 N ATOM 1461 NH2 ARG A 100 5.182 12.600 -3.776 1.00 0.00 N ATOM 0 H ARG A 100 -1.744 9.492 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.972 9.694 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.002 9.233 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.497 8.222 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.156 10.026 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.598 10.803 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.268 11.970 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.498 10.793 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 100 2.763 13.026 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.162 10.016 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.788 10.376 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.834 13.474 -4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.166 12.351 -3.876 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.708 7.570 -4.616 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.923 6.458 -5.525 1.00 0.00 C ATOM 1473 C PHE A 101 -1.621 6.865 -6.969 1.00 0.00 C ATOM 1474 O PHE A 101 -1.416 8.043 -7.256 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.399 6.070 -5.416 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.651 4.562 -5.473 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.680 3.921 -6.672 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.846 3.862 -4.323 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.914 2.522 -6.724 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.081 2.462 -4.375 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.110 1.822 -5.575 1.00 0.00 C ATOM 0 H PHE A 101 -2.413 8.305 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.264 5.630 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.799 6.460 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.951 6.551 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.525 4.477 -7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.822 4.371 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.936 2.013 -7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.237 1.906 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.289 0.758 -5.615 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.601 5.866 -7.840 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.327 6.105 -9.247 1.00 0.00 C ATOM 1492 C GLU A 102 -2.205 5.206 -10.118 1.00 0.00 C ATOM 1493 O GLU A 102 -3.343 4.904 -9.757 1.00 0.00 O ATOM 1494 CB GLU A 102 0.155 5.893 -9.559 1.00 0.00 C ATOM 1495 CG GLU A 102 0.681 6.987 -10.490 1.00 0.00 C ATOM 1496 CD GLU A 102 1.755 7.828 -9.796 1.00 0.00 C ATOM 1497 OE1 GLU A 102 1.458 8.523 -8.813 1.00 0.00 O ATOM 1498 OE2 GLU A 102 2.934 7.742 -10.313 1.00 0.00 O ATOM 0 H GLU A 102 -1.770 4.890 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.567 7.144 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.729 5.892 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.297 4.917 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.094 6.535 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.142 7.629 -10.804 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.646 4.804 -11.251 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.365 3.947 -12.177 1.00 0.00 C ATOM 1506 C GLN A 103 -1.389 3.032 -12.919 1.00 0.00 C ATOM 1507 O GLN A 103 -0.874 3.394 -13.976 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.195 4.774 -13.160 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.949 5.891 -12.435 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.683 6.792 -13.430 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.341 7.946 -13.631 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.709 6.203 -14.039 1.00 0.00 N ATOM 0 H GLN A 103 -0.703 5.057 -11.548 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.054 3.325 -11.605 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.543 5.204 -13.920 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.904 4.127 -13.677 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.664 5.458 -11.735 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.249 6.486 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.941 5.233 -13.824 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.263 6.721 -14.721 1.00 0.00 H new ATOM 1519 N SER A 104 -1.164 1.863 -12.337 1.00 0.00 N ATOM 1520 CA SER A 104 -0.258 0.893 -12.930 1.00 0.00 C ATOM 1521 C SER A 104 1.053 1.575 -13.324 1.00 0.00 C ATOM 1522 O SER A 104 2.110 1.255 -12.781 1.00 0.00 O ATOM 1523 CB SER A 104 -0.894 0.220 -14.149 1.00 0.00 C ATOM 1524 OG SER A 104 0.027 -0.630 -14.829 1.00 0.00 O ATOM 0 H SER A 104 -1.593 1.565 -11.461 1.00 0.00 H new ATOM 0 HA SER A 104 -0.050 0.121 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.759 -0.362 -13.832 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.258 0.984 -14.836 1.00 0.00 H new ATOM 0 HG SER A 104 -0.416 -1.042 -15.600 1.00 0.00 H new ATOM 1529 N GLU A 105 0.943 2.500 -14.265 1.00 0.00 N ATOM 1530 CA GLU A 105 2.108 3.230 -14.737 1.00 0.00 C ATOM 1531 C GLU A 105 3.098 3.450 -13.592 1.00 0.00 C ATOM 1532 O GLU A 105 4.308 3.469 -13.807 1.00 0.00 O ATOM 1533 CB GLU A 105 1.701 4.561 -15.373 1.00 0.00 C ATOM 1534 CG GLU A 105 2.930 5.349 -15.829 1.00 0.00 C ATOM 1535 CD GLU A 105 2.561 6.355 -16.922 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.401 6.787 -17.002 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.530 6.687 -17.706 1.00 0.00 O ATOM 0 H GLU A 105 0.065 2.761 -14.714 1.00 0.00 H new ATOM 0 HA GLU A 105 2.599 2.633 -15.505 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.047 4.376 -16.225 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.131 5.152 -14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.366 5.874 -14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.689 4.662 -16.203 1.00 0.00 H new ATOM 1543 N GLN A 106 2.545 3.610 -12.398 1.00 0.00 N ATOM 1544 CA GLN A 106 3.364 3.827 -11.217 1.00 0.00 C ATOM 1545 C GLN A 106 4.357 2.676 -11.041 1.00 0.00 C ATOM 1546 O GLN A 106 5.306 2.784 -10.266 1.00 0.00 O ATOM 1547 CB GLN A 106 2.496 3.997 -9.970 1.00 0.00 C ATOM 1548 CG GLN A 106 3.212 3.470 -8.726 1.00 0.00 C ATOM 1549 CD GLN A 106 2.489 3.905 -7.450 1.00 0.00 C ATOM 1550 OE1 GLN A 106 2.010 3.098 -6.670 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.435 5.223 -7.281 1.00 0.00 N ATOM 0 H GLN A 106 1.540 3.594 -12.223 1.00 0.00 H new ATOM 0 HA GLN A 106 3.927 4.750 -11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.252 5.050 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.554 3.466 -10.104 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.264 2.382 -8.766 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.238 3.837 -8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.856 5.843 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.972 5.613 -6.460 1.00 0.00 H new ATOM 1558 N GLN A 107 4.105 1.602 -11.773 1.00 0.00 N ATOM 1559 CA GLN A 107 4.964 0.431 -11.707 1.00 0.00 C ATOM 1560 C GLN A 107 6.415 0.853 -11.464 1.00 0.00 C ATOM 1561 O GLN A 107 7.172 0.135 -10.812 1.00 0.00 O ATOM 1562 CB GLN A 107 4.844 -0.409 -12.979 1.00 0.00 C ATOM 1563 CG GLN A 107 6.056 -1.328 -13.146 1.00 0.00 C ATOM 1564 CD GLN A 107 7.042 -0.754 -14.166 1.00 0.00 C ATOM 1565 OE1 GLN A 107 7.715 0.236 -13.929 1.00 0.00 O ATOM 1566 NE2 GLN A 107 7.090 -1.428 -15.311 1.00 0.00 N ATOM 0 H GLN A 107 3.318 1.517 -12.416 1.00 0.00 H new ATOM 0 HA GLN A 107 4.640 -0.188 -10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.933 -1.006 -12.940 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.758 0.247 -13.845 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.555 -1.457 -12.185 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.727 -2.316 -13.469 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.500 -2.249 -15.445 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.717 -1.124 -16.056 1.00 0.00 H new ATOM 1573 N ALA A 108 6.759 2.014 -12.002 1.00 0.00 N ATOM 1574 CA ALA A 108 8.106 2.538 -11.851 1.00 0.00 C ATOM 1575 C ALA A 108 8.227 3.240 -10.496 1.00 0.00 C ATOM 1576 O ALA A 108 9.029 2.839 -9.655 1.00 0.00 O ATOM 1577 CB ALA A 108 8.425 3.471 -13.021 1.00 0.00 C ATOM 0 H ALA A 108 6.129 2.606 -12.543 1.00 0.00 H new ATOM 0 HA ALA A 108 8.837 1.729 -11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.435 3.864 -12.908 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.354 2.918 -13.957 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.714 4.297 -13.032 1.00 0.00 H new ATOM 1583 N LEU A 109 7.417 4.276 -10.328 1.00 0.00 N ATOM 1584 CA LEU A 109 7.424 5.037 -9.090 1.00 0.00 C ATOM 1585 C LEU A 109 7.050 4.114 -7.928 1.00 0.00 C ATOM 1586 O LEU A 109 7.349 4.414 -6.773 1.00 0.00 O ATOM 1587 CB LEU A 109 6.523 6.268 -9.214 1.00 0.00 C ATOM 1588 CG LEU A 109 7.207 7.621 -9.013 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.243 8.772 -9.311 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.810 7.729 -7.611 1.00 0.00 C ATOM 0 H LEU A 109 6.752 4.606 -11.028 1.00 0.00 H new ATOM 0 HA LEU A 109 8.423 5.421 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.063 6.259 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.717 6.179 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 109 8.030 7.696 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.754 9.723 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.902 8.703 -10.344 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.385 8.711 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.290 8.701 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.021 7.623 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.549 6.940 -7.471 1.00 0.00 H new ATOM 1601 N LEU A 110 6.399 3.013 -8.275 1.00 0.00 N ATOM 1602 CA LEU A 110 5.981 2.046 -7.273 1.00 0.00 C ATOM 1603 C LEU A 110 7.190 1.638 -6.429 1.00 0.00 C ATOM 1604 O LEU A 110 7.078 1.483 -5.214 1.00 0.00 O ATOM 1605 CB LEU A 110 5.266 0.866 -7.935 1.00 0.00 C ATOM 1606 CG LEU A 110 5.578 -0.516 -7.359 1.00 0.00 C ATOM 1607 CD1 LEU A 110 4.394 -1.468 -7.546 1.00 0.00 C ATOM 1608 CD2 LEU A 110 6.868 -1.081 -7.956 1.00 0.00 C ATOM 0 H LEU A 110 6.151 2.769 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 110 5.253 2.490 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.191 1.033 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.520 0.862 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 110 5.740 -0.410 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.642 -2.444 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.519 -1.066 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.176 -1.574 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.066 -2.064 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.760 -1.170 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.698 -0.412 -7.728 1.00 0.00 H new ATOM 1619 N THR A 111 8.317 1.474 -7.106 1.00 0.00 N ATOM 1620 CA THR A 111 9.545 1.087 -6.433 1.00 0.00 C ATOM 1621 C THR A 111 9.912 2.114 -5.361 1.00 0.00 C ATOM 1622 O THR A 111 10.892 1.939 -4.638 1.00 0.00 O ATOM 1623 CB THR A 111 10.629 0.903 -7.496 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.891 -0.497 -7.487 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.962 1.534 -7.087 1.00 0.00 C ATOM 0 H THR A 111 8.405 1.602 -8.114 1.00 0.00 H new ATOM 0 HA THR A 111 9.425 0.141 -5.904 1.00 0.00 H new ATOM 0 HB THR A 111 10.293 1.340 -8.436 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.582 -0.705 -8.150 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.697 1.375 -7.876 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.825 2.604 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.315 1.073 -6.164 1.00 0.00 H new ATOM 1633 N LEU A 112 9.105 3.163 -5.290 1.00 0.00 N ATOM 1634 CA LEU A 112 9.334 4.219 -4.318 1.00 0.00 C ATOM 1635 C LEU A 112 10.084 5.371 -4.990 1.00 0.00 C ATOM 1636 O LEU A 112 10.692 6.199 -4.312 1.00 0.00 O ATOM 1637 CB LEU A 112 10.041 3.664 -3.080 1.00 0.00 C ATOM 1638 CG LEU A 112 10.542 4.700 -2.073 1.00 0.00 C ATOM 1639 CD1 LEU A 112 10.204 4.282 -0.640 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.038 4.963 -2.255 1.00 0.00 C ATOM 0 H LEU A 112 8.292 3.304 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 112 8.385 4.621 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.356 2.989 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.891 3.066 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 112 10.024 5.640 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.572 5.037 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.123 4.187 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.676 3.325 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.369 5.703 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.591 4.036 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.222 5.338 -3.262 1.00 0.00 H new ATOM 1651 N GLY A 113 10.016 5.387 -6.312 1.00 0.00 N ATOM 1652 CA GLY A 113 10.681 6.425 -7.083 1.00 0.00 C ATOM 1653 C GLY A 113 12.155 6.539 -6.691 1.00 0.00 C ATOM 1654 O GLY A 113 12.710 7.636 -6.662 1.00 0.00 O ATOM 0 H GLY A 113 9.511 4.698 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.600 6.201 -8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.182 7.380 -6.919 1.00 0.00 H new ATOM 1658 N VAL A 114 12.747 5.391 -6.398 1.00 0.00 N ATOM 1659 CA VAL A 114 14.146 5.347 -6.008 1.00 0.00 C ATOM 1660 C VAL A 114 14.744 4.000 -6.417 1.00 0.00 C ATOM 1661 O VAL A 114 15.043 3.165 -5.565 1.00 0.00 O ATOM 1662 CB VAL A 114 14.282 5.632 -4.511 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.729 5.456 -4.048 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.763 7.030 -4.169 1.00 0.00 C ATOM 0 H VAL A 114 12.283 4.483 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 114 14.710 6.123 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 114 13.669 4.907 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.797 5.665 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.050 4.432 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.372 6.146 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.871 7.207 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.336 7.776 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.711 7.105 -4.444 1.00 0.00 H new ATOM 1674 N ALA A 115 14.900 3.829 -7.722 1.00 0.00 N ATOM 1675 CA ALA A 115 15.458 2.598 -8.254 1.00 0.00 C ATOM 1676 C ALA A 115 14.880 2.343 -9.648 1.00 0.00 C ATOM 1677 O ALA A 115 13.782 1.805 -9.779 1.00 0.00 O ATOM 1678 CB ALA A 115 15.173 1.448 -7.286 1.00 0.00 C ATOM 0 H ALA A 115 14.649 4.523 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 115 16.540 2.679 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.592 0.524 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.628 1.665 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 115 14.096 1.335 -7.163 1.00 0.00 H new ATOM 1684 N SER A 116 15.646 2.741 -10.652 1.00 0.00 N ATOM 1685 CA SER A 116 15.224 2.562 -12.032 1.00 0.00 C ATOM 1686 C SER A 116 13.776 3.028 -12.200 1.00 0.00 C ATOM 1687 O SER A 116 13.500 3.939 -12.980 1.00 0.00 O ATOM 1688 CB SER A 116 15.365 1.102 -12.466 1.00 0.00 C ATOM 1689 OG SER A 116 16.569 0.875 -13.194 1.00 0.00 O ATOM 0 H SER A 116 16.556 3.187 -10.539 1.00 0.00 H new ATOM 0 HA SER A 116 15.870 3.166 -12.669 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.347 0.459 -11.586 1.00 0.00 H new ATOM 0 HB3 SER A 116 14.511 0.823 -13.083 1.00 0.00 H new ATOM 0 HG SER A 116 16.623 -0.069 -13.452 1.00 0.00 H new TER 1694 SER A 116