USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 27 ASN : amide:sc= -9.08! C(o=-14!,f=-31!) USER MOD Set 1.2: A 29 GLN :FLIP amide:sc= -4.94! C(o=-16!,f=-14!) USER MOD Set 1.3: A 101 SER OG : rot 136:sc= -0.0267 USER MOD Set 2.1: A 94 THR OG1 : rot 113:sc= -1.55! USER MOD Set 2.2: A 97 GLN : amide:sc= 0 X(o=-1.6,f=-1.7) USER MOD Set 3.1: A 73 HIS : no HD1:sc= -10.1! C(o=-20!,f=-26!) USER MOD Set 3.2: A 76 HIS : no HD1:sc= -9.85! C(o=-20!,f=-33!) USER MOD Set 4.1: A 69 ASN : amide:sc= -4.11! C(o=-11!,f=-23!) USER MOD Set 4.2: A 99 GLN : amide:sc= -6.74! C(o=-11!,f=-21!) USER MOD Set 5.1: A 23 HIS :FLIP no HD1:sc= -2.02! C(o=-3.2!,f=-1.9!) USER MOD Set 5.2: A 34 THR OG1 : rot 148:sc= 0.112 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 16 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -162:sc= 0.0256 USER MOD Single : A 35 CYS SG : rot -176:sc= -0.584 USER MOD Single : A 42 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 48 SER OG : rot 98:sc= 0.512 USER MOD Single : A 50 SER OG : rot 180:sc= 0.433 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.07 F(o=-3.2,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.16) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0551) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 129:sc= -1! (180deg=-1.89!) USER MOD Single : A 88 GLN : amide:sc=-0.00238 X(o=-0.0024,f=-0.06) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -179:sc= -3.01! (180deg=-3.04!) USER MOD Single : A 95 THR OG1 : rot -150:sc= -3.82 USER MOD Single : A 100 ASN :FLIP amide:sc= 0.832 F(o=-0.027,f=0.83) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -10.3! C(o=-11!,f=-10!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -8.889 -10.240 -4.695 1.00 0.00 N ATOM 49 CA TYR A 7 -7.796 -9.293 -4.832 1.00 0.00 C ATOM 50 C TYR A 7 -7.816 -8.265 -3.698 1.00 0.00 C ATOM 51 O TYR A 7 -7.222 -7.194 -3.816 1.00 0.00 O ATOM 52 CB TYR A 7 -8.024 -8.574 -6.162 1.00 0.00 C ATOM 53 CG TYR A 7 -8.131 -9.510 -7.367 1.00 0.00 C ATOM 54 CD1 TYR A 7 -7.922 -10.866 -7.207 1.00 0.00 C ATOM 55 CD2 TYR A 7 -8.436 -9.002 -8.612 1.00 0.00 C ATOM 56 CE1 TYR A 7 -8.022 -11.748 -8.340 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.537 -9.884 -9.746 1.00 0.00 C ATOM 58 CZ TYR A 7 -8.326 -11.213 -9.554 1.00 0.00 C ATOM 0 HA TYR A 7 -6.836 -9.807 -4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.938 -7.984 -6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.205 -7.875 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.684 -11.264 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.599 -7.942 -8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.860 -12.810 -8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.775 -9.498 -10.726 1.00 0.00 H new ATOM 59 N ARG A 8 -8.506 -8.627 -2.626 1.00 0.00 N ATOM 60 CA ARG A 8 -8.611 -7.749 -1.473 1.00 0.00 C ATOM 61 C ARG A 8 -7.400 -7.929 -0.557 1.00 0.00 C ATOM 62 O ARG A 8 -7.016 -9.054 -0.242 1.00 0.00 O ATOM 63 CB ARG A 8 -9.888 -8.033 -0.681 1.00 0.00 C ATOM 64 CG ARG A 8 -10.258 -6.844 0.209 1.00 0.00 C ATOM 65 CD ARG A 8 -11.771 -6.617 0.220 1.00 0.00 C ATOM 66 NE ARG A 8 -12.072 -5.199 -0.079 1.00 0.00 N ATOM 67 CZ ARG A 8 -13.268 -4.757 -0.495 1.00 0.00 C ATOM 0 H ARG A 8 -8.997 -9.516 -2.532 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.644 -6.723 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.707 -8.246 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.749 -8.922 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.906 -7.022 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.755 -5.946 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.249 -7.262 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.181 -6.887 1.193 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.324 -4.516 0.039 1.00 0.00 H new ATOM 68 N ILE A 9 -6.830 -6.802 -0.154 1.00 0.00 N ATOM 69 CA ILE A 9 -5.669 -6.820 0.720 1.00 0.00 C ATOM 70 C ILE A 9 -6.094 -6.415 2.132 1.00 0.00 C ATOM 71 O ILE A 9 -6.514 -5.281 2.357 1.00 0.00 O ATOM 72 CB ILE A 9 -4.550 -5.954 0.142 1.00 0.00 C ATOM 73 CG1 ILE A 9 -3.686 -6.753 -0.836 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.715 -5.320 1.257 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.574 -5.883 -1.424 1.00 0.00 C ATOM 0 H ILE A 9 -7.151 -5.870 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.258 -7.827 0.787 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.006 -5.140 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.249 -7.610 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.309 -7.145 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.926 -4.709 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.355 -4.694 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.269 -6.104 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.975 -6.476 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.015 -5.040 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.938 -5.512 -0.620 1.00 0.00 H new ATOM 76 N LYS A 10 -5.971 -7.365 3.049 1.00 0.00 N ATOM 77 CA LYS A 10 -6.337 -7.120 4.434 1.00 0.00 C ATOM 78 C LYS A 10 -5.896 -5.711 4.832 1.00 0.00 C ATOM 79 O LYS A 10 -6.522 -5.078 5.681 1.00 0.00 O ATOM 80 CB LYS A 10 -5.776 -8.220 5.338 1.00 0.00 C ATOM 81 CG LYS A 10 -6.891 -8.895 6.136 1.00 0.00 C ATOM 82 CD LYS A 10 -6.515 -10.335 6.495 1.00 0.00 C ATOM 83 CE LYS A 10 -6.976 -10.687 7.911 1.00 0.00 C ATOM 84 NZ LYS A 10 -6.741 -12.121 8.190 1.00 0.00 N ATOM 0 H LYS A 10 -5.623 -8.305 2.860 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.419 -7.161 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.256 -8.963 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.041 -7.794 6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.085 -8.328 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.813 -8.890 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.968 -11.022 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.435 -10.462 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.439 -10.076 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.036 -10.457 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.059 -12.344 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.273 -12.699 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.726 -12.330 8.104 1.00 0.00 H new ATOM 85 N LYS A 11 -4.821 -5.261 4.201 1.00 0.00 N ATOM 86 CA LYS A 11 -4.289 -3.937 4.478 1.00 0.00 C ATOM 87 C LYS A 11 -3.245 -4.037 5.592 1.00 0.00 C ATOM 88 O LYS A 11 -2.532 -3.072 5.868 1.00 0.00 O ATOM 89 CB LYS A 11 -5.424 -2.957 4.786 1.00 0.00 C ATOM 90 CG LYS A 11 -5.023 -1.525 4.424 1.00 0.00 C ATOM 91 CD LYS A 11 -5.472 -0.542 5.506 1.00 0.00 C ATOM 92 CE LYS A 11 -6.568 0.387 4.982 1.00 0.00 C ATOM 93 NZ LYS A 11 -7.414 0.871 6.096 1.00 0.00 N ATOM 0 H LYS A 11 -4.304 -5.790 3.499 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.783 -3.537 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.316 -3.241 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.679 -3.011 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.942 -1.466 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.469 -1.249 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.840 -1.092 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.620 0.049 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.118 1.234 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.183 -0.141 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.153 1.500 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.858 0.060 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.826 1.393 6.777 1.00 0.00 H new ATOM 94 N ASN A 12 -3.186 -5.211 6.202 1.00 0.00 N ATOM 95 CA ASN A 12 -2.240 -5.449 7.279 1.00 0.00 C ATOM 96 C ASN A 12 -1.332 -6.622 6.905 1.00 0.00 C ATOM 97 O ASN A 12 -0.273 -6.427 6.311 1.00 0.00 O ATOM 98 CB ASN A 12 -2.964 -5.807 8.579 1.00 0.00 C ATOM 99 CG ASN A 12 -3.093 -4.584 9.490 1.00 0.00 C ATOM 100 OD1 ASN A 12 -2.790 -3.464 9.115 1.00 0.00 O ATOM 101 ND2 ASN A 12 -3.558 -4.861 10.705 1.00 0.00 N ATOM 0 H ASN A 12 -3.778 -6.009 5.971 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.662 -4.537 7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.954 -6.201 8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.419 -6.595 9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.680 -4.113 11.387 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.793 -5.822 10.954 1.00 0.00 H new ATOM 102 N ALA A 13 -1.779 -7.814 7.270 1.00 0.00 N ATOM 103 CA ALA A 13 -1.020 -9.019 6.980 1.00 0.00 C ATOM 104 C ALA A 13 -0.656 -9.042 5.494 1.00 0.00 C ATOM 105 O ALA A 13 0.496 -9.289 5.137 1.00 0.00 O ATOM 106 CB ALA A 13 -1.830 -10.247 7.401 1.00 0.00 C ATOM 0 H ALA A 13 -2.657 -7.972 7.764 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.090 -9.032 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.261 -11.151 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.037 -10.197 8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.770 -10.269 6.850 1.00 0.00 H new ATOM 107 N ASP A 14 -1.658 -8.782 4.668 1.00 0.00 N ATOM 108 CA ASP A 14 -1.457 -8.769 3.228 1.00 0.00 C ATOM 109 C ASP A 14 -0.393 -7.728 2.875 1.00 0.00 C ATOM 110 O ASP A 14 0.245 -7.819 1.828 1.00 0.00 O ATOM 111 CB ASP A 14 -2.747 -8.394 2.496 1.00 0.00 C ATOM 112 CG ASP A 14 -3.664 -9.571 2.158 1.00 0.00 C ATOM 113 OD1 ASP A 14 -4.177 -10.185 3.119 1.00 0.00 O ATOM 114 OD2 ASP A 14 -3.833 -9.830 0.948 1.00 0.00 O ATOM 0 H ASP A 14 -2.612 -8.579 4.967 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.145 -9.768 2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.302 -7.685 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.486 -7.879 1.571 1.00 0.00 H new ATOM 115 N PHE A 15 -0.235 -6.763 3.770 1.00 0.00 N ATOM 116 CA PHE A 15 0.741 -5.706 3.565 1.00 0.00 C ATOM 117 C PHE A 15 2.069 -6.048 4.243 1.00 0.00 C ATOM 118 O PHE A 15 3.134 -5.685 3.746 1.00 0.00 O ATOM 119 CB PHE A 15 0.167 -4.439 4.204 1.00 0.00 C ATOM 120 CG PHE A 15 -0.275 -3.379 3.193 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.472 -3.501 2.559 1.00 0.00 C ATOM 122 CD2 PHE A 15 0.529 -2.314 2.928 1.00 0.00 C ATOM 123 CE1 PHE A 15 -1.883 -2.518 1.621 1.00 0.00 C ATOM 124 CE2 PHE A 15 0.118 -1.330 1.990 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.079 -1.453 1.357 1.00 0.00 C ATOM 0 H PHE A 15 -0.766 -6.691 4.638 1.00 0.00 H new ATOM 0 HA PHE A 15 0.931 -5.575 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.686 -4.712 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.917 -4.006 4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.110 -4.346 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.480 -2.217 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.833 -2.616 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.756 -0.484 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.392 -0.705 0.644 1.00 0.00 H new ATOM 126 N GLN A 16 1.963 -6.742 5.367 1.00 0.00 N ATOM 127 CA GLN A 16 3.143 -7.136 6.117 1.00 0.00 C ATOM 128 C GLN A 16 3.940 -8.185 5.339 1.00 0.00 C ATOM 129 O GLN A 16 5.168 -8.126 5.292 1.00 0.00 O ATOM 130 CB GLN A 16 2.760 -7.657 7.504 1.00 0.00 C ATOM 131 CG GLN A 16 2.652 -9.182 7.507 1.00 0.00 C ATOM 132 CD GLN A 16 2.223 -9.699 8.883 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.308 -9.012 9.887 1.00 0.00 O ATOM 134 NE2 GLN A 16 1.758 -10.946 8.872 1.00 0.00 N ATOM 0 H GLN A 16 1.078 -7.041 5.776 1.00 0.00 H new ATOM 0 HA GLN A 16 3.773 -6.258 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.505 -7.340 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.809 -7.221 7.810 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.931 -9.501 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.613 -9.619 7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.714 -11.466 7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.446 -11.382 9.740 1.00 0.00 H new ATOM 135 N ARG A 17 3.210 -9.120 4.749 1.00 0.00 N ATOM 136 CA ARG A 17 3.835 -10.180 3.976 1.00 0.00 C ATOM 137 C ARG A 17 4.654 -9.587 2.827 1.00 0.00 C ATOM 138 O ARG A 17 5.575 -10.227 2.322 1.00 0.00 O ATOM 139 CB ARG A 17 2.786 -11.135 3.404 1.00 0.00 C ATOM 140 CG ARG A 17 2.419 -12.218 4.421 1.00 0.00 C ATOM 141 CD ARG A 17 1.164 -12.978 3.984 1.00 0.00 C ATOM 142 NE ARG A 17 0.833 -14.022 4.978 1.00 0.00 N ATOM 143 CZ ARG A 17 -0.222 -14.843 4.883 1.00 0.00 C ATOM 0 H ARG A 17 2.192 -9.166 4.791 1.00 0.00 H new ATOM 0 HA ARG A 17 4.491 -10.736 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.893 -10.575 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.169 -11.599 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.250 -12.914 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.252 -11.763 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.328 -12.286 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.326 -13.433 3.007 1.00 0.00 H new ATOM 0 HE ARG A 17 1.446 -14.124 5.787 1.00 0.00 H new ATOM 144 N ILE A 18 4.290 -8.371 2.449 1.00 0.00 N ATOM 145 CA ILE A 18 4.980 -7.684 1.371 1.00 0.00 C ATOM 146 C ILE A 18 6.252 -7.033 1.917 1.00 0.00 C ATOM 147 O ILE A 18 7.354 -7.343 1.467 1.00 0.00 O ATOM 148 CB ILE A 18 4.038 -6.702 0.671 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.579 -7.139 0.824 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.430 -6.515 -0.795 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.425 -8.637 0.555 1.00 0.00 C ATOM 0 H ILE A 18 3.526 -7.843 2.870 1.00 0.00 H new ATOM 0 HA ILE A 18 5.290 -8.394 0.604 1.00 0.00 H new ATOM 0 HB ILE A 18 4.136 -5.731 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.230 -6.909 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.952 -6.575 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.744 -5.812 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.446 -6.125 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.380 -7.474 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.379 -8.922 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.752 -8.860 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.034 -9.198 1.263 1.00 0.00 H new ATOM 152 N TYR A 19 6.057 -6.144 2.879 1.00 0.00 N ATOM 153 CA TYR A 19 7.175 -5.447 3.492 1.00 0.00 C ATOM 154 C TYR A 19 8.138 -6.433 4.155 1.00 0.00 C ATOM 155 O TYR A 19 9.259 -6.068 4.509 1.00 0.00 O ATOM 156 CB TYR A 19 6.570 -4.541 4.567 1.00 0.00 C ATOM 157 CG TYR A 19 6.116 -3.175 4.047 1.00 0.00 C ATOM 158 CD1 TYR A 19 5.098 -3.093 3.119 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.726 -2.026 4.506 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.672 -1.808 2.630 1.00 0.00 C ATOM 161 CE2 TYR A 19 6.299 -0.740 4.017 1.00 0.00 C ATOM 162 CZ TYR A 19 5.293 -0.695 3.103 1.00 0.00 C ATOM 0 H TYR A 19 5.141 -5.890 3.249 1.00 0.00 H new ATOM 0 HA TYR A 19 7.736 -4.888 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.717 -5.049 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.306 -4.391 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.621 -3.993 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.523 -2.091 5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.877 -1.730 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.767 0.168 4.368 1.00 0.00 H new ATOM 163 N LYS A 20 7.667 -7.662 4.305 1.00 0.00 N ATOM 164 CA LYS A 20 8.473 -8.702 4.920 1.00 0.00 C ATOM 165 C LYS A 20 9.714 -8.955 4.062 1.00 0.00 C ATOM 166 O LYS A 20 10.768 -8.368 4.301 1.00 0.00 O ATOM 167 CB LYS A 20 7.631 -9.956 5.168 1.00 0.00 C ATOM 168 CG LYS A 20 8.437 -11.018 5.919 1.00 0.00 C ATOM 169 CD LYS A 20 8.566 -10.661 7.401 1.00 0.00 C ATOM 170 CE LYS A 20 10.006 -10.274 7.747 1.00 0.00 C ATOM 171 NZ LYS A 20 10.424 -10.914 9.015 1.00 0.00 N ATOM 0 H LYS A 20 6.737 -7.961 4.011 1.00 0.00 H new ATOM 0 HA LYS A 20 8.824 -8.382 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.743 -9.694 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.287 -10.361 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.952 -11.989 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.428 -11.109 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.896 -9.835 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.257 -11.509 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.674 -10.578 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.086 -9.191 7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.403 -10.641 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.797 -10.603 9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.366 -11.948 8.918 1.00 0.00 H new ATOM 172 N LYS A 21 9.547 -9.829 3.080 1.00 0.00 N ATOM 173 CA LYS A 21 10.641 -10.166 2.185 1.00 0.00 C ATOM 174 C LYS A 21 10.372 -9.559 0.806 1.00 0.00 C ATOM 175 O LYS A 21 11.278 -9.459 -0.020 1.00 0.00 O ATOM 176 CB LYS A 21 10.863 -11.680 2.156 1.00 0.00 C ATOM 177 CG LYS A 21 9.630 -12.405 1.614 1.00 0.00 C ATOM 178 CD LYS A 21 8.921 -13.186 2.722 1.00 0.00 C ATOM 179 CE LYS A 21 9.120 -14.693 2.544 1.00 0.00 C ATOM 180 NZ LYS A 21 8.027 -15.441 3.203 1.00 0.00 N ATOM 0 H LYS A 21 8.671 -10.314 2.885 1.00 0.00 H new ATOM 0 HA LYS A 21 11.575 -9.736 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.728 -11.912 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.087 -12.038 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.942 -11.682 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.926 -13.086 0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.306 -12.877 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.856 -12.952 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.149 -14.939 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.079 -14.992 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.177 -16.462 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.018 -15.219 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.116 -15.169 2.781 1.00 0.00 H new ATOM 181 N GLY A 22 9.123 -9.168 0.601 1.00 0.00 N ATOM 182 CA GLY A 22 8.723 -8.572 -0.663 1.00 0.00 C ATOM 183 C GLY A 22 9.776 -7.579 -1.158 1.00 0.00 C ATOM 184 O GLY A 22 10.662 -7.179 -0.403 1.00 0.00 O ATOM 0 H GLY A 22 8.374 -9.252 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.577 -9.354 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.766 -8.064 -0.543 1.00 0.00 H new ATOM 185 N HIS A 23 9.646 -7.209 -2.424 1.00 0.00 N ATOM 186 CA HIS A 23 10.575 -6.270 -3.029 1.00 0.00 C ATOM 187 C HIS A 23 9.832 -4.990 -3.416 1.00 0.00 C ATOM 188 O HIS A 23 9.069 -4.979 -4.380 1.00 0.00 O ATOM 189 CB HIS A 23 11.305 -6.913 -4.210 1.00 0.00 C ATOM 190 CG HIS A 23 10.524 -6.888 -5.502 1.00 0.00 C ATOM 191 ND1 HIS A 23 10.314 -5.882 -6.398 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 9.851 -7.994 -5.991 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 9.555 -6.348 -7.382 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 9.266 -7.657 -7.131 1.00 0.00 N flip ATOM 0 H HIS A 23 8.911 -7.543 -3.047 1.00 0.00 H new ATOM 0 HA HIS A 23 11.344 -5.997 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.254 -6.398 -4.361 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.540 -7.947 -3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.810 -8.966 -5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.221 -5.784 -8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.699 -8.269 -7.718 1.00 0.00 H new ATOM 195 N SER A 24 10.083 -3.943 -2.644 1.00 0.00 N ATOM 196 CA SER A 24 9.447 -2.660 -2.894 1.00 0.00 C ATOM 197 C SER A 24 10.308 -1.826 -3.844 1.00 0.00 C ATOM 198 O SER A 24 11.534 -1.842 -3.754 1.00 0.00 O ATOM 199 CB SER A 24 9.209 -1.900 -1.588 1.00 0.00 C ATOM 200 OG SER A 24 10.378 -1.854 -0.776 1.00 0.00 O ATOM 0 H SER A 24 10.718 -3.956 -1.846 1.00 0.00 H new ATOM 0 HA SER A 24 8.478 -2.843 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.884 -0.884 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.401 -2.377 -1.033 1.00 0.00 H new ATOM 0 HG SER A 24 10.129 -1.625 0.144 1.00 0.00 H new ATOM 201 N VAL A 25 9.631 -1.116 -4.735 1.00 0.00 N ATOM 202 CA VAL A 25 10.319 -0.277 -5.703 1.00 0.00 C ATOM 203 C VAL A 25 9.723 1.132 -5.664 1.00 0.00 C ATOM 204 O VAL A 25 8.551 1.305 -5.333 1.00 0.00 O ATOM 205 CB VAL A 25 10.253 -0.915 -7.091 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.610 -2.402 -7.028 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.877 -0.709 -7.725 1.00 0.00 C ATOM 0 H VAL A 25 8.614 -1.104 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 25 11.376 -0.191 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 25 10.990 -0.419 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.555 -2.832 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.621 -2.517 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.908 -2.917 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.858 -1.173 -8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.114 -1.165 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.677 0.358 -7.822 1.00 0.00 H new ATOM 208 N ALA A 26 10.557 2.103 -6.007 1.00 0.00 N ATOM 209 CA ALA A 26 10.127 3.490 -6.015 1.00 0.00 C ATOM 210 C ALA A 26 10.746 4.204 -7.220 1.00 0.00 C ATOM 211 O ALA A 26 11.913 3.987 -7.541 1.00 0.00 O ATOM 212 CB ALA A 26 10.506 4.150 -4.688 1.00 0.00 C ATOM 0 H ALA A 26 11.528 1.956 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 26 9.043 3.556 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.183 5.191 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.018 3.624 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.587 4.106 -4.555 1.00 0.00 H new ATOM 213 N ASN A 27 9.936 5.040 -7.851 1.00 0.00 N ATOM 214 CA ASN A 27 10.390 5.787 -9.012 1.00 0.00 C ATOM 215 C ASN A 27 10.993 7.117 -8.554 1.00 0.00 C ATOM 216 O ASN A 27 12.211 7.245 -8.441 1.00 0.00 O ATOM 217 CB ASN A 27 9.227 6.096 -9.957 1.00 0.00 C ATOM 218 CG ASN A 27 8.006 6.594 -9.180 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.032 6.757 -7.971 1.00 0.00 O ATOM 220 ND2 ASN A 27 6.939 6.826 -9.940 1.00 0.00 N ATOM 0 H ASN A 27 8.968 5.217 -7.581 1.00 0.00 H new ATOM 0 HA ASN A 27 11.129 5.180 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.533 6.850 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.964 5.201 -10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.074 7.161 -9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.986 6.668 -10.947 1.00 0.00 H new ATOM 221 N ARG A 28 10.112 8.074 -8.304 1.00 0.00 N ATOM 222 CA ARG A 28 10.541 9.389 -7.861 1.00 0.00 C ATOM 223 C ARG A 28 9.882 9.742 -6.526 1.00 0.00 C ATOM 224 O ARG A 28 10.560 10.152 -5.585 1.00 0.00 O ATOM 225 CB ARG A 28 10.188 10.462 -8.894 1.00 0.00 C ATOM 226 CG ARG A 28 10.318 11.864 -8.297 1.00 0.00 C ATOM 227 CD ARG A 28 11.108 12.786 -9.228 1.00 0.00 C ATOM 228 NE ARG A 28 12.330 13.269 -8.547 1.00 0.00 N ATOM 229 CZ ARG A 28 13.127 14.233 -9.028 1.00 0.00 C ATOM 0 H ARG A 28 9.102 7.965 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 28 11.624 9.359 -7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.845 10.369 -9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.169 10.308 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.327 12.282 -8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.816 11.806 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.377 12.252 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.489 13.633 -9.525 1.00 0.00 H new ATOM 0 HE ARG A 28 12.581 12.841 -7.656 1.00 0.00 H new ATOM 230 N GLN A 29 8.570 9.568 -6.486 1.00 0.00 N ATOM 231 CA GLN A 29 7.812 9.862 -5.282 1.00 0.00 C ATOM 232 C GLN A 29 6.731 8.802 -5.062 1.00 0.00 C ATOM 233 O GLN A 29 5.866 8.962 -4.202 1.00 0.00 O ATOM 234 CB GLN A 29 7.201 11.264 -5.347 1.00 0.00 C ATOM 235 CG GLN A 29 5.997 11.293 -6.292 1.00 0.00 C ATOM 236 CD GLN A 29 6.444 11.472 -7.744 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.012 10.517 -8.564 1.00 0.00 O flip ATOM 238 NE2 GLN A 29 7.137 12.412 -8.096 1.00 0.00 N flip ATOM 0 H GLN A 29 8.012 9.227 -7.269 1.00 0.00 H new ATOM 0 HA GLN A 29 8.494 9.838 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.893 11.577 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.952 11.977 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.431 10.367 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.329 12.107 -6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.434 13.110 -7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.420 12.500 -9.072 1.00 0.00 H new ATOM 239 N PHE A 30 6.816 7.744 -5.854 1.00 0.00 N ATOM 240 CA PHE A 30 5.856 6.658 -5.758 1.00 0.00 C ATOM 241 C PHE A 30 6.564 5.302 -5.707 1.00 0.00 C ATOM 242 O PHE A 30 7.505 5.061 -6.464 1.00 0.00 O ATOM 243 CB PHE A 30 4.984 6.718 -7.013 1.00 0.00 C ATOM 244 CG PHE A 30 3.515 6.369 -6.768 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.927 6.691 -5.584 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.796 5.736 -7.733 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.564 6.368 -5.356 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.432 5.412 -7.506 1.00 0.00 C ATOM 249 CZ PHE A 30 0.845 5.735 -6.322 1.00 0.00 C ATOM 0 H PHE A 30 7.535 7.616 -6.566 1.00 0.00 H new ATOM 0 HA PHE A 30 5.266 6.764 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.043 7.721 -7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.390 6.034 -7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.498 7.193 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.262 5.479 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.098 6.625 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.861 4.910 -8.273 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.192 5.489 -6.149 1.00 0.00 H new ATOM 250 N VAL A 31 6.087 4.454 -4.809 1.00 0.00 N ATOM 251 CA VAL A 31 6.662 3.129 -4.651 1.00 0.00 C ATOM 252 C VAL A 31 5.564 2.077 -4.819 1.00 0.00 C ATOM 253 O VAL A 31 4.406 2.325 -4.488 1.00 0.00 O ATOM 254 CB VAL A 31 7.385 3.030 -3.306 1.00 0.00 C ATOM 255 CG1 VAL A 31 8.022 4.368 -2.926 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.436 2.543 -2.209 1.00 0.00 C ATOM 0 H VAL A 31 5.308 4.658 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 31 7.410 2.943 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 31 8.184 2.296 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.529 4.270 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.744 4.657 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.248 5.131 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.974 2.481 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.606 3.242 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.051 1.558 -2.472 1.00 0.00 H new ATOM 257 N VAL A 32 5.968 0.924 -5.332 1.00 0.00 N ATOM 258 CA VAL A 32 5.032 -0.167 -5.549 1.00 0.00 C ATOM 259 C VAL A 32 5.613 -1.455 -4.961 1.00 0.00 C ATOM 260 O VAL A 32 6.621 -1.965 -5.449 1.00 0.00 O ATOM 261 CB VAL A 32 4.701 -0.285 -7.037 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.844 0.893 -7.504 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.976 -0.402 -7.875 1.00 0.00 C ATOM 0 H VAL A 32 6.930 0.721 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 32 4.091 0.029 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 32 4.122 -1.197 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.623 0.784 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.912 0.911 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.386 1.825 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.712 -0.485 -8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.593 0.483 -7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.532 -1.288 -7.570 1.00 0.00 H new ATOM 264 N TYR A 33 4.953 -1.944 -3.921 1.00 0.00 N ATOM 265 CA TYR A 33 5.391 -3.162 -3.262 1.00 0.00 C ATOM 266 C TYR A 33 4.792 -4.398 -3.938 1.00 0.00 C ATOM 267 O TYR A 33 3.573 -4.563 -3.969 1.00 0.00 O ATOM 268 CB TYR A 33 4.867 -3.077 -1.827 1.00 0.00 C ATOM 269 CG TYR A 33 5.841 -2.420 -0.847 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.314 -1.147 -1.093 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.249 -3.102 0.281 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.231 -0.529 -0.170 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.166 -2.484 1.204 1.00 0.00 C ATOM 274 CZ TYR A 33 7.612 -1.228 0.933 1.00 0.00 C ATOM 0 H TYR A 33 4.118 -1.518 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 33 6.476 -3.253 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.932 -2.516 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.636 -4.083 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.997 -0.614 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.881 -4.099 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.608 0.467 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.492 -3.006 2.091 1.00 0.00 H new ATOM 275 N THR A 34 5.676 -5.232 -4.463 1.00 0.00 N ATOM 276 CA THR A 34 5.250 -6.447 -5.137 1.00 0.00 C ATOM 277 C THR A 34 6.211 -7.596 -4.823 1.00 0.00 C ATOM 278 O THR A 34 7.374 -7.365 -4.498 1.00 0.00 O ATOM 279 CB THR A 34 5.135 -6.142 -6.632 1.00 0.00 C ATOM 280 OG1 THR A 34 6.322 -5.411 -6.930 1.00 0.00 O ATOM 281 CG2 THR A 34 4.005 -5.160 -6.945 1.00 0.00 C ATOM 0 H THR A 34 6.686 -5.091 -4.436 1.00 0.00 H new ATOM 0 HA THR A 34 4.273 -6.776 -4.781 1.00 0.00 H new ATOM 0 HB THR A 34 4.971 -7.070 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.607 -5.609 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.968 -4.979 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.055 -5.581 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.186 -4.220 -6.424 1.00 0.00 H new ATOM 282 N CYS A 35 5.687 -8.808 -4.931 1.00 0.00 N ATOM 283 CA CYS A 35 6.484 -9.993 -4.663 1.00 0.00 C ATOM 284 C CYS A 35 5.592 -11.223 -4.846 1.00 0.00 C ATOM 285 O CYS A 35 5.690 -11.920 -5.856 1.00 0.00 O ATOM 286 CB CYS A 35 7.113 -9.948 -3.270 1.00 0.00 C ATOM 287 SG CYS A 35 8.073 -11.476 -2.966 1.00 0.00 S ATOM 0 H CYS A 35 4.721 -8.995 -5.200 1.00 0.00 H new ATOM 0 HA CYS A 35 7.317 -10.041 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.763 -9.077 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.335 -9.841 -2.514 1.00 0.00 H new ATOM 0 HG CYS A 35 8.534 -11.464 -1.751 1.00 0.00 H new ATOM 338 N HIS A 42 -3.145 -14.666 -8.250 1.00 0.00 N ATOM 339 CA HIS A 42 -4.110 -13.588 -8.384 1.00 0.00 C ATOM 340 C HIS A 42 -3.603 -12.351 -7.638 1.00 0.00 C ATOM 341 O HIS A 42 -3.461 -12.374 -6.417 1.00 0.00 O ATOM 342 CB HIS A 42 -5.495 -14.037 -7.915 1.00 0.00 C ATOM 343 CG HIS A 42 -5.497 -15.355 -7.179 1.00 0.00 C ATOM 344 ND1 HIS A 42 -6.076 -16.502 -7.695 1.00 0.00 N ATOM 345 CD2 HIS A 42 -4.984 -15.697 -5.962 1.00 0.00 C ATOM 346 CE1 HIS A 42 -5.914 -17.482 -6.819 1.00 0.00 C ATOM 347 NE2 HIS A 42 -5.237 -16.982 -5.746 1.00 0.00 N ATOM 0 HA HIS A 42 -4.217 -13.318 -9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.914 -13.269 -7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.153 -14.115 -8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.461 -15.034 -5.288 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.258 -18.499 -6.934 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.969 -17.509 -4.915 1.00 0.00 H new ATOM 348 N PHE A 43 -3.347 -11.302 -8.404 1.00 0.00 N ATOM 349 CA PHE A 43 -2.860 -10.058 -7.832 1.00 0.00 C ATOM 350 C PHE A 43 -3.796 -9.558 -6.730 1.00 0.00 C ATOM 351 O PHE A 43 -4.664 -10.296 -6.266 1.00 0.00 O ATOM 352 CB PHE A 43 -2.825 -9.028 -8.962 1.00 0.00 C ATOM 353 CG PHE A 43 -4.207 -8.629 -9.482 1.00 0.00 C ATOM 354 CD1 PHE A 43 -4.824 -9.389 -10.427 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.819 -7.515 -9.000 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.106 -9.018 -10.910 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.103 -7.144 -9.483 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.719 -7.904 -10.428 1.00 0.00 C ATOM 0 H PHE A 43 -3.468 -11.287 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.874 -10.212 -7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.309 -8.135 -8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.239 -9.430 -9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.338 -10.275 -10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.329 -6.912 -8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.595 -9.621 -11.661 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.589 -6.259 -9.100 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.695 -7.623 -10.795 1.00 0.00 H new ATOM 359 N ARG A 44 -3.588 -8.308 -6.343 1.00 0.00 N ATOM 360 CA ARG A 44 -4.402 -7.701 -5.305 1.00 0.00 C ATOM 361 C ARG A 44 -3.939 -6.268 -5.036 1.00 0.00 C ATOM 362 O ARG A 44 -2.760 -6.031 -4.783 1.00 0.00 O ATOM 363 CB ARG A 44 -4.328 -8.505 -4.004 1.00 0.00 C ATOM 364 CG ARG A 44 -2.878 -8.670 -3.545 1.00 0.00 C ATOM 365 CD ARG A 44 -2.420 -10.123 -3.688 1.00 0.00 C ATOM 366 NE ARG A 44 -1.905 -10.622 -2.394 1.00 0.00 N ATOM 367 CZ ARG A 44 -2.683 -11.027 -1.381 1.00 0.00 C ATOM 0 H ARG A 44 -2.867 -7.699 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.434 -7.694 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.904 -8.002 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.781 -9.486 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.230 -8.021 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.784 -8.356 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.252 -10.744 -4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.644 -10.195 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.894 -10.660 -2.265 1.00 0.00 H new ATOM 368 N LEU A 45 -4.893 -5.350 -5.102 1.00 0.00 N ATOM 369 CA LEU A 45 -4.598 -3.946 -4.870 1.00 0.00 C ATOM 370 C LEU A 45 -4.979 -3.580 -3.434 1.00 0.00 C ATOM 371 O LEU A 45 -6.021 -4.004 -2.937 1.00 0.00 O ATOM 372 CB LEU A 45 -5.276 -3.073 -5.928 1.00 0.00 C ATOM 373 CG LEU A 45 -4.343 -2.239 -6.808 1.00 0.00 C ATOM 374 CD1 LEU A 45 -4.697 -2.400 -8.288 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.346 -0.772 -6.374 1.00 0.00 C ATOM 0 H LEU A 45 -5.870 -5.551 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.529 -3.759 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.873 -3.717 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.968 -2.398 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.327 -2.611 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.019 -1.797 -8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.602 -3.448 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.722 -2.070 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.675 -0.201 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.356 -0.370 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.010 -0.698 -5.340 1.00 0.00 H new ATOM 376 N GLY A 46 -4.114 -2.796 -2.807 1.00 0.00 N ATOM 377 CA GLY A 46 -4.347 -2.368 -1.439 1.00 0.00 C ATOM 378 C GLY A 46 -4.249 -0.846 -1.316 1.00 0.00 C ATOM 379 O GLY A 46 -5.110 -0.213 -0.705 1.00 0.00 O ATOM 0 H GLY A 46 -3.250 -2.446 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.333 -2.700 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.618 -2.837 -0.778 1.00 0.00 H new ATOM 380 N ILE A 47 -3.195 -0.303 -1.906 1.00 0.00 N ATOM 381 CA ILE A 47 -2.975 1.133 -1.871 1.00 0.00 C ATOM 382 C ILE A 47 -2.557 1.546 -0.458 1.00 0.00 C ATOM 383 O ILE A 47 -3.102 1.048 0.526 1.00 0.00 O ATOM 384 CB ILE A 47 -4.206 1.877 -2.389 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.706 1.266 -3.700 1.00 0.00 C ATOM 386 CG2 ILE A 47 -3.925 3.375 -2.526 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.153 0.788 -3.566 1.00 0.00 C ATOM 0 H ILE A 47 -2.484 -0.831 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.160 1.409 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.005 1.765 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.636 2.004 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.067 0.429 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.817 3.880 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.653 3.785 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.104 3.529 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.483 0.358 -4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.216 0.033 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.793 1.632 -3.308 1.00 0.00 H new ATOM 388 N SER A 48 -1.592 2.453 -0.402 1.00 0.00 N ATOM 389 CA SER A 48 -1.094 2.938 0.874 1.00 0.00 C ATOM 390 C SER A 48 -0.629 4.389 0.737 1.00 0.00 C ATOM 391 O SER A 48 -0.031 4.760 -0.272 1.00 0.00 O ATOM 392 CB SER A 48 0.049 2.060 1.390 1.00 0.00 C ATOM 393 OG SER A 48 -0.362 1.232 2.473 1.00 0.00 O ATOM 0 H SER A 48 -1.142 2.864 -1.220 1.00 0.00 H new ATOM 0 HA SER A 48 -1.907 2.891 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.422 1.436 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.876 2.693 1.711 1.00 0.00 H new ATOM 0 HG SER A 48 -0.574 0.336 2.138 1.00 0.00 H new ATOM 394 N VAL A 49 -0.920 5.170 1.766 1.00 0.00 N ATOM 395 CA VAL A 49 -0.539 6.572 1.773 1.00 0.00 C ATOM 396 C VAL A 49 -0.214 7.001 3.205 1.00 0.00 C ATOM 397 O VAL A 49 -0.636 6.353 4.162 1.00 0.00 O ATOM 398 CB VAL A 49 -1.641 7.417 1.131 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.717 8.802 1.779 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.436 7.530 -0.380 1.00 0.00 C ATOM 0 H VAL A 49 -1.416 4.859 2.601 1.00 0.00 H new ATOM 0 HA VAL A 49 0.360 6.726 1.176 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.592 6.913 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.508 9.383 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.933 8.695 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.764 9.316 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.233 8.136 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.473 8.000 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.455 6.535 -0.825 1.00 0.00 H new ATOM 401 N SER A 50 0.534 8.090 3.308 1.00 0.00 N ATOM 402 CA SER A 50 0.920 8.613 4.607 1.00 0.00 C ATOM 403 C SER A 50 -0.083 9.676 5.063 1.00 0.00 C ATOM 404 O SER A 50 -0.816 10.232 4.248 1.00 0.00 O ATOM 405 CB SER A 50 2.333 9.200 4.567 1.00 0.00 C ATOM 406 OG SER A 50 2.648 9.914 5.759 1.00 0.00 O ATOM 0 H SER A 50 0.883 8.624 2.512 1.00 0.00 H new ATOM 0 HA SER A 50 0.917 7.790 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.056 8.396 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.424 9.867 3.710 1.00 0.00 H new ATOM 0 HG SER A 50 3.558 10.272 5.695 1.00 0.00 H new ATOM 407 N LYS A 51 -0.083 9.923 6.365 1.00 0.00 N ATOM 408 CA LYS A 51 -0.983 10.908 6.939 1.00 0.00 C ATOM 409 C LYS A 51 -0.207 12.194 7.230 1.00 0.00 C ATOM 410 O LYS A 51 -0.762 13.149 7.772 1.00 0.00 O ATOM 411 CB LYS A 51 -1.699 10.331 8.162 1.00 0.00 C ATOM 412 CG LYS A 51 -3.075 9.779 7.783 1.00 0.00 C ATOM 413 CD LYS A 51 -4.166 10.831 7.997 1.00 0.00 C ATOM 414 CE LYS A 51 -4.148 11.873 6.878 1.00 0.00 C ATOM 415 NZ LYS A 51 -5.480 12.505 6.738 1.00 0.00 N ATOM 0 H LYS A 51 0.526 9.458 7.038 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.770 11.164 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.094 9.538 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.810 11.105 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.069 9.463 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.294 8.895 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.142 10.346 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.019 11.322 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.398 12.634 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.862 11.401 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.451 13.210 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.187 11.777 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.738 12.972 7.631 1.00 0.00 H new ATOM 416 N LYS A 52 1.065 12.177 6.858 1.00 0.00 N ATOM 417 CA LYS A 52 1.922 13.330 7.073 1.00 0.00 C ATOM 418 C LYS A 52 2.049 14.117 5.767 1.00 0.00 C ATOM 419 O LYS A 52 2.495 15.262 5.769 1.00 0.00 O ATOM 420 CB LYS A 52 3.265 12.895 7.662 1.00 0.00 C ATOM 421 CG LYS A 52 3.477 13.501 9.051 1.00 0.00 C ATOM 422 CD LYS A 52 4.677 12.862 9.752 1.00 0.00 C ATOM 423 CE LYS A 52 5.911 13.761 9.657 1.00 0.00 C ATOM 424 NZ LYS A 52 7.069 13.122 10.321 1.00 0.00 N ATOM 0 H LYS A 52 1.522 11.383 6.409 1.00 0.00 H new ATOM 0 HA LYS A 52 1.480 14.002 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.303 11.808 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.074 13.204 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.634 14.576 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.581 13.358 9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.436 12.679 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.893 11.894 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.146 13.957 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.703 14.724 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.899 13.745 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.847 12.958 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.276 12.214 9.859 1.00 0.00 H new ATOM 425 N LEU A 53 1.649 13.469 4.683 1.00 0.00 N ATOM 426 CA LEU A 53 1.712 14.093 3.372 1.00 0.00 C ATOM 427 C LEU A 53 1.206 15.534 3.473 1.00 0.00 C ATOM 428 O LEU A 53 1.979 16.479 3.326 1.00 0.00 O ATOM 429 CB LEU A 53 0.962 13.249 2.339 1.00 0.00 C ATOM 430 CG LEU A 53 1.711 12.028 1.799 1.00 0.00 C ATOM 431 CD1 LEU A 53 0.752 11.061 1.103 1.00 0.00 C ATOM 432 CD2 LEU A 53 2.861 12.453 0.884 1.00 0.00 C ATOM 0 H LEU A 53 1.280 12.518 4.685 1.00 0.00 H new ATOM 0 HA LEU A 53 2.743 14.140 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.028 12.909 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.698 13.890 1.498 1.00 0.00 H new ATOM 0 HG LEU A 53 2.150 11.495 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.309 10.202 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.002 10.722 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.265 11.568 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.377 11.568 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.465 13.021 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.561 13.074 1.444 1.00 0.00 H new ATOM 433 N GLY A 54 -0.090 15.655 3.722 1.00 0.00 N ATOM 434 CA GLY A 54 -0.708 16.965 3.844 1.00 0.00 C ATOM 435 C GLY A 54 -2.208 16.839 4.119 1.00 0.00 C ATOM 436 O GLY A 54 -2.612 16.305 5.152 1.00 0.00 O ATOM 0 H GLY A 54 -0.728 14.869 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.232 17.522 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.549 17.533 2.927 1.00 0.00 H new ATOM 437 N ASN A 55 -2.993 17.340 3.177 1.00 0.00 N ATOM 438 CA ASN A 55 -4.440 17.290 3.305 1.00 0.00 C ATOM 439 C ASN A 55 -4.959 15.994 2.679 1.00 0.00 C ATOM 440 O ASN A 55 -4.173 15.142 2.267 1.00 0.00 O ATOM 441 CB ASN A 55 -5.098 18.464 2.575 1.00 0.00 C ATOM 442 CG ASN A 55 -4.045 19.378 1.945 1.00 0.00 C ATOM 443 OD1 ASN A 55 -3.629 18.979 0.746 1.00 0.00 O flip ATOM 444 ND2 ASN A 55 -3.636 20.379 2.511 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.655 17.782 2.322 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.687 17.340 4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.767 18.087 1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.709 19.035 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.998 20.628 3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.932 20.966 2.064 1.00 0.00 H new ATOM 445 N ALA A 56 -6.278 15.887 2.629 1.00 0.00 N ATOM 446 CA ALA A 56 -6.912 14.708 2.061 1.00 0.00 C ATOM 447 C ALA A 56 -7.111 14.915 0.558 1.00 0.00 C ATOM 448 O ALA A 56 -7.229 13.950 -0.195 1.00 0.00 O ATOM 449 CB ALA A 56 -8.228 14.433 2.791 1.00 0.00 C ATOM 0 H ALA A 56 -6.926 16.596 2.972 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.278 13.831 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.703 13.549 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.029 14.263 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.892 15.290 2.680 1.00 0.00 H new ATOM 450 N VAL A 57 -7.140 16.181 0.167 1.00 0.00 N ATOM 451 CA VAL A 57 -7.323 16.527 -1.232 1.00 0.00 C ATOM 452 C VAL A 57 -6.169 15.947 -2.052 1.00 0.00 C ATOM 453 O VAL A 57 -6.335 15.631 -3.229 1.00 0.00 O ATOM 454 CB VAL A 57 -7.460 18.044 -1.382 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.087 18.720 -1.389 1.00 0.00 C ATOM 456 CG2 VAL A 57 -8.252 18.401 -2.642 1.00 0.00 C ATOM 0 H VAL A 57 -7.040 16.979 0.794 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.245 16.091 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.014 18.417 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.212 19.797 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.572 18.507 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.498 18.338 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.335 19.485 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.737 18.008 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.249 17.965 -2.581 1.00 0.00 H new ATOM 457 N LEU A 58 -5.023 15.825 -1.397 1.00 0.00 N ATOM 458 CA LEU A 58 -3.841 15.288 -2.050 1.00 0.00 C ATOM 459 C LEU A 58 -3.828 13.766 -1.900 1.00 0.00 C ATOM 460 O LEU A 58 -3.466 13.050 -2.833 1.00 0.00 O ATOM 461 CB LEU A 58 -2.579 15.970 -1.518 1.00 0.00 C ATOM 462 CG LEU A 58 -2.339 15.854 -0.011 1.00 0.00 C ATOM 463 CD1 LEU A 58 -2.029 14.409 0.385 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.245 16.821 0.445 1.00 0.00 C ATOM 0 H LEU A 58 -4.888 16.089 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.865 15.503 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.717 15.550 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.624 17.027 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.256 16.139 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.863 14.354 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.869 13.769 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.134 14.072 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.094 16.719 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.316 16.591 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.545 17.844 0.217 1.00 0.00 H new ATOM 465 N ARG A 59 -4.226 13.316 -0.720 1.00 0.00 N ATOM 466 CA ARG A 59 -4.264 11.892 -0.436 1.00 0.00 C ATOM 467 C ARG A 59 -5.432 11.234 -1.175 1.00 0.00 C ATOM 468 O ARG A 59 -5.582 10.014 -1.146 1.00 0.00 O ATOM 469 CB ARG A 59 -4.411 11.633 1.065 1.00 0.00 C ATOM 470 CG ARG A 59 -5.884 11.620 1.479 1.00 0.00 C ATOM 471 CD ARG A 59 -6.489 10.226 1.302 1.00 0.00 C ATOM 472 NE ARG A 59 -7.127 9.787 2.564 1.00 0.00 N ATOM 473 CZ ARG A 59 -7.825 8.652 2.698 1.00 0.00 C ATOM 0 H ARG A 59 -4.525 13.913 0.051 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.323 11.461 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.950 10.679 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.879 12.403 1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.976 11.931 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.441 12.341 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.225 10.239 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.713 9.518 1.012 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.029 10.387 3.383 1.00 0.00 H new ATOM 474 N ASN A 60 -6.229 12.073 -1.820 1.00 0.00 N ATOM 475 CA ASN A 60 -7.379 11.588 -2.566 1.00 0.00 C ATOM 476 C ASN A 60 -6.983 11.389 -4.031 1.00 0.00 C ATOM 477 O ASN A 60 -7.470 10.472 -4.689 1.00 0.00 O ATOM 478 CB ASN A 60 -8.529 12.595 -2.520 1.00 0.00 C ATOM 479 CG ASN A 60 -9.730 12.021 -1.767 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.179 10.913 -2.013 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.224 12.832 -0.837 1.00 0.00 N ATOM 0 H ASN A 60 -6.102 13.085 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.703 10.650 -2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.195 13.512 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.825 12.861 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.026 12.539 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.801 13.747 -0.681 1.00 0.00 H new ATOM 482 N LYS A 61 -6.104 12.264 -4.498 1.00 0.00 N ATOM 483 CA LYS A 61 -5.637 12.195 -5.872 1.00 0.00 C ATOM 484 C LYS A 61 -4.636 11.047 -6.010 1.00 0.00 C ATOM 485 O LYS A 61 -4.600 10.370 -7.037 1.00 0.00 O ATOM 486 CB LYS A 61 -5.084 13.550 -6.319 1.00 0.00 C ATOM 487 CG LYS A 61 -5.566 13.902 -7.728 1.00 0.00 C ATOM 488 CD LYS A 61 -6.320 15.233 -7.734 1.00 0.00 C ATOM 489 CE LYS A 61 -7.201 15.357 -8.979 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.566 16.245 -9.977 1.00 0.00 N ATOM 0 H LYS A 61 -5.703 13.024 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.466 11.977 -6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.399 14.324 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.994 13.527 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.713 13.960 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.215 13.111 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.937 15.310 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.609 16.058 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.367 14.371 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.179 15.752 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.135 16.251 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.507 17.211 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.609 15.898 -10.191 1.00 0.00 H new ATOM 491 N ILE A 62 -3.848 10.863 -4.961 1.00 0.00 N ATOM 492 CA ILE A 62 -2.848 9.808 -4.953 1.00 0.00 C ATOM 493 C ILE A 62 -3.547 8.449 -5.022 1.00 0.00 C ATOM 494 O ILE A 62 -3.015 7.502 -5.602 1.00 0.00 O ATOM 495 CB ILE A 62 -1.919 9.961 -3.748 1.00 0.00 C ATOM 496 CG1 ILE A 62 -1.019 11.189 -3.901 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.110 8.683 -3.513 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.316 11.522 -2.583 1.00 0.00 C ATOM 0 H ILE A 62 -3.881 11.426 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.208 9.883 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.533 10.121 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.276 11.005 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.614 12.042 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.458 8.819 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.790 7.851 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.506 8.468 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.317 12.399 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.061 11.729 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.298 10.676 -2.274 1.00 0.00 H new ATOM 499 N LYS A 63 -4.728 8.395 -4.424 1.00 0.00 N ATOM 500 CA LYS A 63 -5.505 7.167 -4.410 1.00 0.00 C ATOM 501 C LYS A 63 -6.453 7.156 -5.611 1.00 0.00 C ATOM 502 O LYS A 63 -6.533 6.163 -6.333 1.00 0.00 O ATOM 503 CB LYS A 63 -6.214 6.997 -3.065 1.00 0.00 C ATOM 504 CG LYS A 63 -7.130 5.771 -3.079 1.00 0.00 C ATOM 505 CD LYS A 63 -8.543 6.137 -2.619 1.00 0.00 C ATOM 506 CE LYS A 63 -9.455 4.908 -2.621 1.00 0.00 C ATOM 507 NZ LYS A 63 -10.869 5.313 -2.457 1.00 0.00 N ATOM 0 H LYS A 63 -5.166 9.182 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.851 6.301 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.475 6.894 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.799 7.890 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.168 5.353 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.720 4.999 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.504 6.564 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.956 6.902 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.334 4.359 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.168 4.233 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.475 4.468 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.983 5.817 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.144 5.939 -3.241 1.00 0.00 H new ATOM 508 N ARG A 64 -7.146 8.270 -5.788 1.00 0.00 N ATOM 509 CA ARG A 64 -8.086 8.400 -6.890 1.00 0.00 C ATOM 510 C ARG A 64 -7.418 8.000 -8.207 1.00 0.00 C ATOM 511 O ARG A 64 -7.763 6.978 -8.797 1.00 0.00 O ATOM 512 CB ARG A 64 -8.605 9.834 -7.004 1.00 0.00 C ATOM 513 CG ARG A 64 -9.201 10.093 -8.389 1.00 0.00 C ATOM 514 CD ARG A 64 -10.479 10.930 -8.288 1.00 0.00 C ATOM 515 NE ARG A 64 -11.011 11.203 -9.642 1.00 0.00 N ATOM 516 CZ ARG A 64 -12.277 11.564 -9.892 1.00 0.00 C ATOM 0 H ARG A 64 -7.076 9.092 -5.188 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.927 7.736 -6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.361 10.013 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.791 10.535 -6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.471 10.610 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.421 9.144 -8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.225 10.401 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.270 11.868 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.375 11.111 -10.434 1.00 0.00 H new ATOM 517 N ALA A 65 -6.473 8.827 -8.628 1.00 0.00 N ATOM 518 CA ALA A 65 -5.753 8.573 -9.865 1.00 0.00 C ATOM 519 C ALA A 65 -5.190 7.150 -9.839 1.00 0.00 C ATOM 520 O ALA A 65 -4.969 6.547 -10.888 1.00 0.00 O ATOM 521 CB ALA A 65 -4.660 9.628 -10.047 1.00 0.00 C ATOM 0 H ALA A 65 -6.189 9.674 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.424 8.648 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.121 9.437 -10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.113 10.618 -10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.966 9.582 -9.208 1.00 0.00 H new ATOM 522 N ILE A 66 -4.974 6.655 -8.629 1.00 0.00 N ATOM 523 CA ILE A 66 -4.442 5.315 -8.452 1.00 0.00 C ATOM 524 C ILE A 66 -5.487 4.292 -8.903 1.00 0.00 C ATOM 525 O ILE A 66 -5.148 3.284 -9.521 1.00 0.00 O ATOM 526 CB ILE A 66 -3.964 5.113 -7.013 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.436 5.130 -6.935 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.555 3.836 -6.413 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.865 6.375 -7.617 1.00 0.00 C ATOM 0 H ILE A 66 -5.158 7.159 -7.761 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.562 5.169 -9.078 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.326 5.948 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.121 5.106 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.034 4.235 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.199 3.716 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.643 3.903 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.245 2.977 -7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.777 6.362 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.161 6.383 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.249 7.268 -7.125 1.00 0.00 H new ATOM 530 N ARG A 67 -6.737 4.587 -8.574 1.00 0.00 N ATOM 531 CA ARG A 67 -7.834 3.705 -8.936 1.00 0.00 C ATOM 532 C ARG A 67 -8.391 4.089 -10.309 1.00 0.00 C ATOM 533 O ARG A 67 -9.377 3.512 -10.765 1.00 0.00 O ATOM 534 CB ARG A 67 -8.957 3.770 -7.901 1.00 0.00 C ATOM 535 CG ARG A 67 -9.257 2.383 -7.329 1.00 0.00 C ATOM 536 CD ARG A 67 -10.169 2.479 -6.105 1.00 0.00 C ATOM 537 NE ARG A 67 -11.336 1.585 -6.271 1.00 0.00 N ATOM 538 CZ ARG A 67 -12.402 1.874 -7.032 1.00 0.00 C ATOM 0 H ARG A 67 -7.014 5.424 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.445 2.687 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.674 4.446 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.856 4.180 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.731 1.766 -8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.325 1.890 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.616 2.205 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.505 3.507 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.330 0.693 -5.776 1.00 0.00 H new ATOM 539 N GLU A 68 -7.737 5.060 -10.928 1.00 0.00 N ATOM 540 CA GLU A 68 -8.154 5.528 -12.239 1.00 0.00 C ATOM 541 C GLU A 68 -7.105 5.164 -13.291 1.00 0.00 C ATOM 542 O GLU A 68 -7.310 5.395 -14.482 1.00 0.00 O ATOM 543 CB GLU A 68 -8.417 7.034 -12.225 1.00 0.00 C ATOM 544 CG GLU A 68 -9.913 7.330 -12.366 1.00 0.00 C ATOM 545 CD GLU A 68 -10.428 6.908 -13.743 1.00 0.00 C ATOM 546 OE1 GLU A 68 -10.597 5.684 -13.934 1.00 0.00 O ATOM 547 OE2 GLU A 68 -10.641 7.818 -14.574 1.00 0.00 O ATOM 0 H GLU A 68 -6.920 5.536 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.089 5.032 -12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.043 7.464 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.870 7.510 -13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.467 6.802 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.092 8.395 -12.217 1.00 0.00 H new ATOM 548 N ASN A 69 -6.005 4.600 -12.815 1.00 0.00 N ATOM 549 CA ASN A 69 -4.924 4.202 -13.700 1.00 0.00 C ATOM 550 C ASN A 69 -4.681 2.698 -13.557 1.00 0.00 C ATOM 551 O ASN A 69 -3.855 2.129 -14.268 1.00 0.00 O ATOM 552 CB ASN A 69 -3.625 4.927 -13.343 1.00 0.00 C ATOM 553 CG ASN A 69 -2.701 5.026 -14.558 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.714 5.991 -15.305 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.899 3.976 -14.714 1.00 0.00 N ATOM 0 H ASN A 69 -5.839 4.409 -11.827 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.211 4.458 -14.720 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.852 5.926 -12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.117 4.396 -12.538 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.244 3.946 -15.495 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.939 3.201 -14.052 1.00 0.00 H new ATOM 556 N PHE A 70 -5.415 2.098 -12.631 1.00 0.00 N ATOM 557 CA PHE A 70 -5.289 0.671 -12.385 1.00 0.00 C ATOM 558 C PHE A 70 -6.397 -0.107 -13.096 1.00 0.00 C ATOM 559 O PHE A 70 -6.183 -1.235 -13.539 1.00 0.00 O ATOM 560 CB PHE A 70 -5.425 0.464 -10.876 1.00 0.00 C ATOM 561 CG PHE A 70 -4.111 0.108 -10.175 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.272 -0.807 -10.729 1.00 0.00 C ATOM 563 CD2 PHE A 70 -3.782 0.709 -9.000 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.053 -1.137 -10.080 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.564 0.378 -8.351 1.00 0.00 C ATOM 566 CZ PHE A 70 -1.725 -0.537 -8.904 1.00 0.00 C ATOM 0 H PHE A 70 -6.099 2.574 -12.042 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.331 0.312 -12.760 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.828 1.373 -10.430 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.149 -0.329 -10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.533 -1.283 -11.663 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.447 1.438 -8.561 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.386 -1.864 -10.520 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.304 0.854 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.798 -0.788 -8.410 1.00 0.00 H new ATOM 567 N LYS A 71 -7.558 0.525 -13.185 1.00 0.00 N ATOM 568 CA LYS A 71 -8.701 -0.094 -13.834 1.00 0.00 C ATOM 569 C LYS A 71 -8.296 -0.552 -15.238 1.00 0.00 C ATOM 570 O LYS A 71 -8.923 -1.445 -15.806 1.00 0.00 O ATOM 571 CB LYS A 71 -9.904 0.850 -13.819 1.00 0.00 C ATOM 572 CG LYS A 71 -11.078 0.230 -13.058 1.00 0.00 C ATOM 573 CD LYS A 71 -11.877 1.302 -12.314 1.00 0.00 C ATOM 574 CE LYS A 71 -13.342 0.890 -12.165 1.00 0.00 C ATOM 575 NZ LYS A 71 -14.134 1.993 -11.576 1.00 0.00 N ATOM 0 H LYS A 71 -7.732 1.461 -12.818 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.016 -0.981 -13.285 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.623 1.795 -13.354 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.207 1.075 -14.842 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.730 -0.297 -13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.706 -0.509 -12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.440 1.468 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.815 2.247 -12.854 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.751 0.621 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.414 0.005 -11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.126 1.696 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.753 2.231 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.080 2.828 -12.194 1.00 0.00 H new ATOM 576 N VAL A 72 -7.255 0.081 -15.755 1.00 0.00 N ATOM 577 CA VAL A 72 -6.760 -0.251 -17.081 1.00 0.00 C ATOM 578 C VAL A 72 -5.668 -1.315 -16.961 1.00 0.00 C ATOM 579 O VAL A 72 -5.596 -2.230 -17.780 1.00 0.00 O ATOM 580 CB VAL A 72 -6.284 1.017 -17.793 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.399 2.062 -17.856 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.034 1.588 -17.120 1.00 0.00 C ATOM 0 H VAL A 72 -6.740 0.822 -15.281 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.558 -0.672 -17.693 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.020 0.747 -18.816 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.034 2.953 -18.367 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.250 1.654 -18.401 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.709 2.325 -16.845 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.717 2.489 -17.646 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.260 1.834 -16.082 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.234 0.849 -17.152 1.00 0.00 H new ATOM 583 N HIS A 73 -4.845 -1.162 -15.934 1.00 0.00 N ATOM 584 CA HIS A 73 -3.760 -2.098 -15.698 1.00 0.00 C ATOM 585 C HIS A 73 -4.324 -3.405 -15.134 1.00 0.00 C ATOM 586 O HIS A 73 -3.622 -4.412 -15.071 1.00 0.00 O ATOM 587 CB HIS A 73 -2.692 -1.476 -14.797 1.00 0.00 C ATOM 588 CG HIS A 73 -1.769 -0.518 -15.510 1.00 0.00 C ATOM 589 ND1 HIS A 73 -0.436 -0.802 -15.753 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.000 0.720 -16.032 1.00 0.00 C ATOM 591 CE1 HIS A 73 0.102 0.227 -16.391 1.00 0.00 C ATOM 592 NE2 HIS A 73 -0.869 1.170 -16.563 1.00 0.00 N ATOM 0 H HIS A 73 -4.908 -0.403 -15.256 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.265 -2.332 -16.641 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.183 -0.950 -13.979 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.097 -2.274 -14.352 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.943 1.246 -16.016 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.128 0.306 -16.717 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.746 2.072 -17.023 1.00 0.00 H new ATOM 593 N LYS A 74 -5.587 -3.344 -14.738 1.00 0.00 N ATOM 594 CA LYS A 74 -6.253 -4.510 -14.181 1.00 0.00 C ATOM 595 C LYS A 74 -6.599 -5.481 -15.311 1.00 0.00 C ATOM 596 O LYS A 74 -7.062 -6.593 -15.058 1.00 0.00 O ATOM 597 CB LYS A 74 -7.461 -4.087 -13.342 1.00 0.00 C ATOM 598 CG LYS A 74 -7.767 -5.125 -12.261 1.00 0.00 C ATOM 599 CD LYS A 74 -9.082 -5.850 -12.555 1.00 0.00 C ATOM 600 CE LYS A 74 -10.284 -4.974 -12.195 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.324 -5.064 -13.243 1.00 0.00 N ATOM 0 H LYS A 74 -6.167 -2.506 -14.792 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.589 -5.039 -13.497 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.266 -3.120 -12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.330 -3.961 -13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.953 -5.848 -12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.826 -4.636 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.126 -6.117 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.123 -6.780 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.697 -5.289 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.965 -3.938 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.132 -4.464 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.931 -4.742 -14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.641 -6.050 -13.334 1.00 0.00 H new ATOM 602 N SER A 75 -6.363 -5.027 -16.533 1.00 0.00 N ATOM 603 CA SER A 75 -6.644 -5.843 -17.702 1.00 0.00 C ATOM 604 C SER A 75 -5.371 -6.559 -18.159 1.00 0.00 C ATOM 605 O SER A 75 -5.427 -7.459 -18.996 1.00 0.00 O ATOM 606 CB SER A 75 -7.214 -4.995 -18.841 1.00 0.00 C ATOM 607 OG SER A 75 -8.543 -5.382 -19.181 1.00 0.00 O ATOM 0 H SER A 75 -5.980 -4.104 -16.739 1.00 0.00 H new ATOM 0 HA SER A 75 -7.393 -6.586 -17.428 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.205 -3.945 -18.550 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.574 -5.088 -19.718 1.00 0.00 H new ATOM 0 HG SER A 75 -8.872 -4.816 -19.910 1.00 0.00 H new ATOM 608 N HIS A 76 -4.254 -6.133 -17.588 1.00 0.00 N ATOM 609 CA HIS A 76 -2.969 -6.722 -17.927 1.00 0.00 C ATOM 610 C HIS A 76 -2.179 -7.001 -16.646 1.00 0.00 C ATOM 611 O HIS A 76 -0.964 -7.185 -16.691 1.00 0.00 O ATOM 612 CB HIS A 76 -2.207 -5.835 -18.912 1.00 0.00 C ATOM 613 CG HIS A 76 -1.739 -4.525 -18.325 1.00 0.00 C ATOM 614 ND1 HIS A 76 -1.417 -3.427 -19.103 1.00 0.00 N ATOM 615 CD2 HIS A 76 -1.543 -4.149 -17.028 1.00 0.00 C ATOM 616 CE1 HIS A 76 -1.044 -2.440 -18.301 1.00 0.00 C ATOM 617 NE2 HIS A 76 -1.122 -2.891 -17.015 1.00 0.00 N ATOM 0 H HIS A 76 -4.212 -5.387 -16.893 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.124 -7.675 -18.432 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.342 -6.384 -19.285 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.847 -5.629 -19.770 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.703 -4.770 -16.159 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.733 -1.453 -18.610 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -0.894 -2.350 -16.181 1.00 0.00 H new ATOM 618 N ILE A 77 -2.902 -7.021 -15.536 1.00 0.00 N ATOM 619 CA ILE A 77 -2.283 -7.274 -14.245 1.00 0.00 C ATOM 620 C ILE A 77 -2.085 -8.780 -14.066 1.00 0.00 C ATOM 621 O ILE A 77 -2.929 -9.574 -14.477 1.00 0.00 O ATOM 622 CB ILE A 77 -3.097 -6.622 -13.125 1.00 0.00 C ATOM 623 CG1 ILE A 77 -2.231 -5.665 -12.304 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.769 -7.680 -12.249 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.970 -4.367 -13.071 1.00 0.00 C ATOM 0 H ILE A 77 -3.910 -6.866 -15.503 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.295 -6.815 -14.198 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.890 -6.029 -13.580 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.726 -5.440 -11.359 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.283 -6.145 -12.061 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.341 -7.190 -11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.438 -8.286 -12.860 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.008 -8.319 -11.801 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.352 -3.704 -12.465 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.453 -4.593 -14.004 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.919 -3.878 -13.292 1.00 0.00 H new ATOM 626 N LEU A 78 -0.964 -9.128 -13.450 1.00 0.00 N ATOM 627 CA LEU A 78 -0.645 -10.525 -13.210 1.00 0.00 C ATOM 628 C LEU A 78 -0.345 -10.728 -11.724 1.00 0.00 C ATOM 629 O LEU A 78 0.028 -9.783 -11.028 1.00 0.00 O ATOM 630 CB LEU A 78 0.485 -10.982 -14.134 1.00 0.00 C ATOM 631 CG LEU A 78 1.415 -9.882 -14.652 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.621 -8.780 -15.356 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.289 -9.328 -13.525 1.00 0.00 C ATOM 0 H LEU A 78 -0.266 -8.467 -13.110 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.499 -11.158 -13.451 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.087 -11.719 -13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.043 -11.490 -14.991 1.00 0.00 H new ATOM 0 HG LEU A 78 2.084 -10.320 -15.393 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.305 -8.011 -15.714 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.078 -9.205 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.087 -8.338 -14.655 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.940 -8.548 -13.920 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.654 -8.910 -12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.896 -10.131 -13.107 1.00 0.00 H new ATOM 634 N ALA A 79 -0.519 -11.964 -11.280 1.00 0.00 N ATOM 635 CA ALA A 79 -0.270 -12.302 -9.889 1.00 0.00 C ATOM 636 C ALA A 79 0.972 -11.555 -9.401 1.00 0.00 C ATOM 637 O ALA A 79 2.078 -11.802 -9.881 1.00 0.00 O ATOM 638 CB ALA A 79 -0.132 -13.819 -9.749 1.00 0.00 C ATOM 0 H ALA A 79 -0.830 -12.744 -11.859 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.107 -11.992 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.055 -14.073 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.052 -14.300 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.700 -14.167 -10.361 1.00 0.00 H new ATOM 639 N LYS A 80 0.750 -10.657 -8.453 1.00 0.00 N ATOM 640 CA LYS A 80 1.838 -9.873 -7.895 1.00 0.00 C ATOM 641 C LYS A 80 1.264 -8.798 -6.969 1.00 0.00 C ATOM 642 O LYS A 80 0.844 -7.738 -7.427 1.00 0.00 O ATOM 643 CB LYS A 80 2.722 -9.313 -9.011 1.00 0.00 C ATOM 644 CG LYS A 80 4.177 -9.749 -8.828 1.00 0.00 C ATOM 645 CD LYS A 80 4.700 -10.453 -10.083 1.00 0.00 C ATOM 646 CE LYS A 80 5.578 -9.513 -10.912 1.00 0.00 C ATOM 647 NZ LYS A 80 6.973 -9.534 -10.415 1.00 0.00 N ATOM 0 H LYS A 80 -0.168 -10.455 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 80 2.489 -10.503 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.354 -9.656 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.662 -8.225 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.796 -8.879 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.255 -10.419 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.273 -11.335 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.861 -10.800 -10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.554 -9.813 -11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.183 -8.498 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.622 -9.703 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.198 -8.620 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.080 -10.294 -9.713 1.00 0.00 H new ATOM 648 N ASP A 81 1.265 -9.111 -5.680 1.00 0.00 N ATOM 649 CA ASP A 81 0.749 -8.186 -4.686 1.00 0.00 C ATOM 650 C ASP A 81 1.057 -6.752 -5.121 1.00 0.00 C ATOM 651 O ASP A 81 2.157 -6.251 -4.890 1.00 0.00 O ATOM 652 CB ASP A 81 1.407 -8.418 -3.325 1.00 0.00 C ATOM 653 CG ASP A 81 0.435 -8.692 -2.175 1.00 0.00 C ATOM 654 OD1 ASP A 81 -0.307 -7.750 -1.824 1.00 0.00 O ATOM 655 OD2 ASP A 81 0.457 -9.836 -1.674 1.00 0.00 O ATOM 0 H ASP A 81 1.615 -9.992 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.325 -8.348 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.094 -9.260 -3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.006 -7.543 -3.074 1.00 0.00 H new ATOM 656 N ILE A 82 0.065 -6.130 -5.743 1.00 0.00 N ATOM 657 CA ILE A 82 0.216 -4.764 -6.213 1.00 0.00 C ATOM 658 C ILE A 82 -0.170 -3.798 -5.091 1.00 0.00 C ATOM 659 O ILE A 82 -1.333 -3.734 -4.695 1.00 0.00 O ATOM 660 CB ILE A 82 -0.572 -4.551 -7.506 1.00 0.00 C ATOM 661 CG1 ILE A 82 -0.497 -3.093 -7.961 1.00 0.00 C ATOM 662 CG2 ILE A 82 -2.018 -5.029 -7.352 1.00 0.00 C ATOM 663 CD1 ILE A 82 0.889 -2.504 -7.688 1.00 0.00 C ATOM 0 H ILE A 82 -0.846 -6.548 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 82 1.257 -4.561 -6.465 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.113 -5.156 -8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.720 -3.029 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.254 -2.506 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.556 -4.866 -8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.026 -6.092 -7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.503 -4.470 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.915 -1.466 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.099 -2.548 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.641 -3.078 -8.229 1.00 0.00 H new ATOM 664 N ILE A 83 0.828 -3.070 -4.610 1.00 0.00 N ATOM 665 CA ILE A 83 0.606 -2.110 -3.542 1.00 0.00 C ATOM 666 C ILE A 83 1.434 -0.852 -3.813 1.00 0.00 C ATOM 667 O ILE A 83 2.627 -0.813 -3.513 1.00 0.00 O ATOM 668 CB ILE A 83 0.886 -2.749 -2.181 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.590 -4.250 -2.209 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.117 -2.033 -1.070 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.474 -4.812 -0.790 1.00 0.00 C ATOM 0 H ILE A 83 1.791 -3.126 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.440 -1.804 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 83 1.948 -2.634 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.337 -4.432 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.382 -4.771 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.334 -2.508 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.421 -0.987 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.953 -2.094 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.263 -5.880 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.411 -4.650 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.335 -4.306 -0.263 1.00 0.00 H new ATOM 672 N VAL A 84 0.769 0.146 -4.376 1.00 0.00 N ATOM 673 CA VAL A 84 1.428 1.402 -4.690 1.00 0.00 C ATOM 674 C VAL A 84 1.293 2.356 -3.502 1.00 0.00 C ATOM 675 O VAL A 84 0.189 2.773 -3.159 1.00 0.00 O ATOM 676 CB VAL A 84 0.861 1.980 -5.988 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.779 0.908 -7.077 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.506 2.625 -5.749 1.00 0.00 C ATOM 0 H VAL A 84 -0.220 0.110 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 84 2.493 1.242 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 84 1.543 2.757 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.373 1.346 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.776 0.515 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.130 0.099 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.887 3.028 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.200 1.876 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.406 3.431 -5.022 1.00 0.00 H new ATOM 679 N ILE A 85 2.434 2.670 -2.905 1.00 0.00 N ATOM 680 CA ILE A 85 2.457 3.567 -1.762 1.00 0.00 C ATOM 681 C ILE A 85 2.925 4.951 -2.213 1.00 0.00 C ATOM 682 O ILE A 85 3.710 5.070 -3.153 1.00 0.00 O ATOM 683 CB ILE A 85 3.300 2.972 -0.632 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.038 1.472 -0.484 1.00 0.00 C ATOM 685 CG2 ILE A 85 3.070 3.726 0.680 1.00 0.00 C ATOM 686 CD1 ILE A 85 4.118 0.654 -1.196 1.00 0.00 C ATOM 0 H ILE A 85 3.348 2.320 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 85 1.454 3.687 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 85 4.352 3.091 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.013 1.206 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.060 1.227 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.681 3.283 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.347 4.772 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.018 3.661 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.908 -0.409 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.124 0.905 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.092 0.883 -0.764 1.00 0.00 H new ATOM 687 N ALA A 86 2.422 5.965 -1.524 1.00 0.00 N ATOM 688 CA ALA A 86 2.778 7.337 -1.843 1.00 0.00 C ATOM 689 C ALA A 86 3.939 7.779 -0.950 1.00 0.00 C ATOM 690 O ALA A 86 3.807 7.814 0.272 1.00 0.00 O ATOM 691 CB ALA A 86 1.548 8.234 -1.687 1.00 0.00 C ATOM 0 H ALA A 86 1.770 5.864 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 86 3.110 7.416 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.816 9.263 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.763 7.896 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.188 8.182 -0.659 1.00 0.00 H new ATOM 692 N ARG A 87 5.049 8.104 -1.595 1.00 0.00 N ATOM 693 CA ARG A 87 6.232 8.543 -0.874 1.00 0.00 C ATOM 694 C ARG A 87 5.920 9.794 -0.052 1.00 0.00 C ATOM 695 O ARG A 87 4.805 9.954 0.443 1.00 0.00 O ATOM 696 CB ARG A 87 7.383 8.847 -1.836 1.00 0.00 C ATOM 697 CG ARG A 87 8.736 8.576 -1.175 1.00 0.00 C ATOM 698 CD ARG A 87 9.226 7.161 -1.489 1.00 0.00 C ATOM 699 NE ARG A 87 10.330 6.793 -0.574 1.00 0.00 N ATOM 700 CZ ARG A 87 11.608 7.148 -0.759 1.00 0.00 C ATOM 0 H ARG A 87 5.155 8.072 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 87 6.533 7.734 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.283 8.235 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.331 9.889 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.468 9.304 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.650 8.704 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.405 6.452 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.566 7.106 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 87 10.103 6.234 0.249 1.00 0.00 H new ATOM 701 N GLN A 88 6.923 10.651 0.068 1.00 0.00 N ATOM 702 CA GLN A 88 6.769 11.884 0.821 1.00 0.00 C ATOM 703 C GLN A 88 6.206 12.988 -0.076 1.00 0.00 C ATOM 704 O GLN A 88 5.145 13.541 0.207 1.00 0.00 O ATOM 705 CB GLN A 88 8.098 12.313 1.448 1.00 0.00 C ATOM 706 CG GLN A 88 8.009 12.310 2.976 1.00 0.00 C ATOM 707 CD GLN A 88 9.293 11.758 3.599 1.00 0.00 C ATOM 708 OE1 GLN A 88 10.398 12.077 3.192 1.00 0.00 O ATOM 709 NE2 GLN A 88 9.086 10.914 4.606 1.00 0.00 N ATOM 0 H GLN A 88 7.846 10.516 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 88 6.062 11.705 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.891 11.639 1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.365 13.310 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.833 13.324 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.158 11.707 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.134 10.690 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.879 10.491 5.088 1.00 0.00 H new ATOM 710 N PRO A 89 6.961 13.282 -1.169 1.00 0.00 N ATOM 711 CA PRO A 89 6.548 14.309 -2.110 1.00 0.00 C ATOM 712 C PRO A 89 5.400 13.814 -2.992 1.00 0.00 C ATOM 713 O PRO A 89 4.996 14.499 -3.931 1.00 0.00 O ATOM 714 CB PRO A 89 7.802 14.647 -2.899 1.00 0.00 C ATOM 715 CG PRO A 89 8.751 13.478 -2.694 1.00 0.00 C ATOM 716 CD PRO A 89 8.223 12.647 -1.536 1.00 0.00 C ATOM 0 HA PRO A 89 6.153 15.198 -1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.573 14.784 -3.956 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.247 15.578 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.814 12.874 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.758 13.837 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.073 11.608 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.922 12.643 -0.700 1.00 0.00 H new ATOM 717 N ALA A 90 4.909 12.630 -2.661 1.00 0.00 N ATOM 718 CA ALA A 90 3.816 12.036 -3.411 1.00 0.00 C ATOM 719 C ALA A 90 2.577 12.924 -3.291 1.00 0.00 C ATOM 720 O ALA A 90 1.616 12.761 -4.041 1.00 0.00 O ATOM 721 CB ALA A 90 3.564 10.612 -2.908 1.00 0.00 C ATOM 0 H ALA A 90 5.248 12.065 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 90 4.071 11.968 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.744 10.167 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.465 10.013 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.304 10.641 -1.850 1.00 0.00 H new ATOM 722 N LYS A 91 2.639 13.846 -2.341 1.00 0.00 N ATOM 723 CA LYS A 91 1.534 14.761 -2.112 1.00 0.00 C ATOM 724 C LYS A 91 1.639 15.934 -3.089 1.00 0.00 C ATOM 725 O LYS A 91 0.636 16.569 -3.411 1.00 0.00 O ATOM 726 CB LYS A 91 1.486 15.187 -0.643 1.00 0.00 C ATOM 727 CG LYS A 91 2.268 16.484 -0.422 1.00 0.00 C ATOM 728 CD LYS A 91 3.468 16.253 0.498 1.00 0.00 C ATOM 729 CE LYS A 91 4.642 17.151 0.104 1.00 0.00 C ATOM 730 NZ LYS A 91 4.772 18.279 1.054 1.00 0.00 N ATOM 0 H LYS A 91 3.438 13.979 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 91 0.583 14.266 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.450 15.326 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.901 14.397 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.610 16.874 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.612 17.238 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.183 16.454 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.773 15.208 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.564 16.570 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.493 17.533 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.573 18.879 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.898 18.842 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.936 17.909 2.012 1.00 0.00 H new ATOM 731 N ASP A 92 2.861 16.185 -3.534 1.00 0.00 N ATOM 732 CA ASP A 92 3.109 17.271 -4.467 1.00 0.00 C ATOM 733 C ASP A 92 2.770 16.805 -5.885 1.00 0.00 C ATOM 734 O ASP A 92 2.809 17.594 -6.827 1.00 0.00 O ATOM 735 CB ASP A 92 4.580 17.690 -4.447 1.00 0.00 C ATOM 736 CG ASP A 92 4.896 18.896 -3.559 1.00 0.00 C ATOM 737 OD1 ASP A 92 3.929 19.593 -3.185 1.00 0.00 O ATOM 738 OD2 ASP A 92 6.097 19.092 -3.275 1.00 0.00 O ATOM 0 H ASP A 92 3.690 15.655 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 92 2.489 18.118 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.179 16.843 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.892 17.917 -5.467 1.00 0.00 H new ATOM 739 N MET A 93 2.445 15.525 -5.992 1.00 0.00 N ATOM 740 CA MET A 93 2.100 14.945 -7.279 1.00 0.00 C ATOM 741 C MET A 93 0.699 15.375 -7.716 1.00 0.00 C ATOM 742 O MET A 93 0.076 16.219 -7.073 1.00 0.00 O ATOM 743 CB MET A 93 2.159 13.419 -7.183 1.00 0.00 C ATOM 744 CG MET A 93 3.382 12.870 -7.921 1.00 0.00 C ATOM 745 SD MET A 93 3.231 11.103 -8.122 1.00 0.00 S ATOM 746 CE MET A 93 2.057 10.742 -6.826 1.00 0.00 C ATOM 0 H MET A 93 2.413 14.873 -5.208 1.00 0.00 H new ATOM 0 HA MET A 93 2.816 15.300 -8.020 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.196 13.118 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.251 12.989 -7.606 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.474 13.349 -8.896 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.289 13.105 -7.364 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.862 9.670 -6.800 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.465 11.061 -5.867 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.126 11.275 -7.020 1.00 0.00 H new ATOM 747 N THR A 94 0.243 14.776 -8.806 1.00 0.00 N ATOM 748 CA THR A 94 -1.073 15.087 -9.337 1.00 0.00 C ATOM 749 C THR A 94 -1.591 13.927 -10.190 1.00 0.00 C ATOM 750 O THR A 94 -0.815 13.083 -10.634 1.00 0.00 O ATOM 751 CB THR A 94 -0.974 16.407 -10.103 1.00 0.00 C ATOM 752 OG1 THR A 94 0.308 16.355 -10.722 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.889 17.619 -9.173 1.00 0.00 C ATOM 0 H THR A 94 0.762 14.076 -9.336 1.00 0.00 H new ATOM 0 HA THR A 94 -1.803 15.213 -8.537 1.00 0.00 H new ATOM 0 HB THR A 94 -1.839 16.511 -10.758 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.200 16.296 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.820 18.530 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.780 17.661 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.005 17.531 -8.541 1.00 0.00 H new ATOM 754 N THR A 95 -2.901 13.924 -10.392 1.00 0.00 N ATOM 755 CA THR A 95 -3.533 12.882 -11.184 1.00 0.00 C ATOM 756 C THR A 95 -2.791 12.694 -12.509 1.00 0.00 C ATOM 757 O THR A 95 -2.950 11.673 -13.174 1.00 0.00 O ATOM 758 CB THR A 95 -5.007 13.250 -11.360 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.632 12.757 -10.178 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.676 12.464 -12.490 1.00 0.00 C ATOM 0 H THR A 95 -3.541 14.626 -10.021 1.00 0.00 H new ATOM 0 HA THR A 95 -3.482 11.917 -10.680 1.00 0.00 H new ATOM 0 HB THR A 95 -5.092 14.318 -11.560 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.559 12.509 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.721 12.763 -12.572 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.164 12.671 -13.430 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.620 11.397 -12.274 1.00 0.00 H new ATOM 761 N LEU A 96 -1.996 13.697 -12.852 1.00 0.00 N ATOM 762 CA LEU A 96 -1.228 13.656 -14.085 1.00 0.00 C ATOM 763 C LEU A 96 0.058 12.861 -13.854 1.00 0.00 C ATOM 764 O LEU A 96 0.420 12.010 -14.665 1.00 0.00 O ATOM 765 CB LEU A 96 -0.990 15.072 -14.615 1.00 0.00 C ATOM 766 CG LEU A 96 -0.191 15.175 -15.915 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.309 15.020 -15.650 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.696 14.170 -16.952 1.00 0.00 C ATOM 0 H LEU A 96 -1.867 14.543 -12.297 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.787 13.138 -14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.958 15.549 -14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.471 15.644 -13.846 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.344 16.171 -16.331 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.855 15.097 -16.591 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.642 15.806 -14.972 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.500 14.046 -15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.110 14.265 -17.866 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.593 13.159 -16.559 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.745 14.369 -17.171 1.00 0.00 H new ATOM 769 N GLN A 97 0.714 13.168 -12.744 1.00 0.00 N ATOM 770 CA GLN A 97 1.952 12.492 -12.395 1.00 0.00 C ATOM 771 C GLN A 97 1.667 11.058 -11.944 1.00 0.00 C ATOM 772 O GLN A 97 2.400 10.135 -12.296 1.00 0.00 O ATOM 773 CB GLN A 97 2.714 13.264 -11.317 1.00 0.00 C ATOM 774 CG GLN A 97 2.899 14.729 -11.720 1.00 0.00 C ATOM 775 CD GLN A 97 4.071 15.361 -10.965 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.179 14.850 -10.946 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.765 16.497 -10.345 1.00 0.00 N ATOM 0 H GLN A 97 0.411 13.876 -12.075 1.00 0.00 H new ATOM 0 HA GLN A 97 2.583 12.454 -13.283 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.172 13.208 -10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.688 12.802 -11.153 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.075 14.795 -12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.985 15.285 -11.512 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.817 16.870 -10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.478 16.996 -9.813 1.00 0.00 H new ATOM 778 N ILE A 98 0.599 10.916 -11.172 1.00 0.00 N ATOM 779 CA ILE A 98 0.208 9.611 -10.670 1.00 0.00 C ATOM 780 C ILE A 98 0.289 8.587 -11.804 1.00 0.00 C ATOM 781 O ILE A 98 0.468 7.395 -11.557 1.00 0.00 O ATOM 782 CB ILE A 98 -1.168 9.684 -10.003 1.00 0.00 C ATOM 783 CG1 ILE A 98 -1.048 10.121 -8.542 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.917 8.357 -10.144 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.291 11.626 -8.399 1.00 0.00 C ATOM 0 H ILE A 98 -0.007 11.684 -10.882 1.00 0.00 H new ATOM 0 HA ILE A 98 0.896 9.280 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.757 10.443 -10.518 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.768 9.573 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.057 9.871 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.891 8.436 -9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.053 8.126 -11.201 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.341 7.562 -9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.200 11.911 -7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.554 12.171 -8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.292 11.868 -8.755 1.00 0.00 H new ATOM 786 N GLN A 99 0.152 9.089 -13.022 1.00 0.00 N ATOM 787 CA GLN A 99 0.208 8.233 -14.194 1.00 0.00 C ATOM 788 C GLN A 99 1.653 8.081 -14.673 1.00 0.00 C ATOM 789 O GLN A 99 2.085 6.981 -15.014 1.00 0.00 O ATOM 790 CB GLN A 99 -0.686 8.774 -15.312 1.00 0.00 C ATOM 791 CG GLN A 99 -1.967 9.386 -14.741 1.00 0.00 C ATOM 792 CD GLN A 99 -2.883 8.304 -14.167 1.00 0.00 C ATOM 793 OE1 GLN A 99 -2.550 7.608 -13.222 1.00 0.00 O ATOM 794 NE2 GLN A 99 -4.054 8.200 -14.791 1.00 0.00 N ATOM 0 H GLN A 99 0.002 10.078 -13.223 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.168 7.248 -13.918 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.143 9.526 -15.885 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.939 7.969 -16.002 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.715 10.105 -13.962 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.492 9.935 -15.523 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.270 8.814 -15.576 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.736 7.506 -14.484 1.00 0.00 H new ATOM 795 N ASN A 100 2.360 9.202 -14.683 1.00 0.00 N ATOM 796 CA ASN A 100 3.747 9.208 -15.115 1.00 0.00 C ATOM 797 C ASN A 100 4.592 8.420 -14.112 1.00 0.00 C ATOM 798 O ASN A 100 5.763 8.139 -14.365 1.00 0.00 O ATOM 799 CB ASN A 100 4.298 10.634 -15.180 1.00 0.00 C ATOM 800 CG ASN A 100 4.048 11.256 -16.554 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.481 12.458 -16.509 1.00 0.00 O flip ATOM 802 ND2 ASN A 100 4.351 10.683 -17.588 1.00 0.00 N flip ATOM 0 H ASN A 100 1.998 10.112 -14.399 1.00 0.00 H new ATOM 0 HA ASN A 100 3.793 8.758 -16.107 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.828 11.245 -14.409 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.368 10.624 -14.970 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.784 9.760 -17.552 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.171 11.127 -18.489 1.00 0.00 H new ATOM 803 N SER A 101 3.965 8.084 -12.994 1.00 0.00 N ATOM 804 CA SER A 101 4.644 7.333 -11.951 1.00 0.00 C ATOM 805 C SER A 101 4.468 5.832 -12.188 1.00 0.00 C ATOM 806 O SER A 101 5.435 5.129 -12.482 1.00 0.00 O ATOM 807 CB SER A 101 4.121 7.717 -10.566 1.00 0.00 C ATOM 808 OG SER A 101 5.022 8.576 -9.874 1.00 0.00 O ATOM 0 H SER A 101 2.994 8.318 -12.788 1.00 0.00 H new ATOM 0 HA SER A 101 5.705 7.578 -11.989 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.155 8.211 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.957 6.814 -9.978 1.00 0.00 H new ATOM 0 HG SER A 101 4.520 9.301 -9.447 1.00 0.00 H new ATOM 809 N LEU A 102 3.229 5.385 -12.051 1.00 0.00 N ATOM 810 CA LEU A 102 2.914 3.980 -12.247 1.00 0.00 C ATOM 811 C LEU A 102 3.608 3.478 -13.514 1.00 0.00 C ATOM 812 O LEU A 102 4.199 2.398 -13.517 1.00 0.00 O ATOM 813 CB LEU A 102 1.400 3.766 -12.249 1.00 0.00 C ATOM 814 CG LEU A 102 0.750 3.550 -10.879 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.368 4.566 -10.638 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.259 2.109 -10.726 1.00 0.00 C ATOM 0 H LEU A 102 2.431 5.971 -11.807 1.00 0.00 H new ATOM 0 HA LEU A 102 3.296 3.385 -11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.932 4.631 -12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.176 2.903 -12.875 1.00 0.00 H new ATOM 0 HG LEU A 102 1.506 3.715 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.813 4.391 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.043 5.575 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.131 4.457 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.198 1.983 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.477 1.891 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.102 1.425 -10.824 1.00 0.00 H new ATOM 817 N GLU A 103 3.515 4.284 -14.561 1.00 0.00 N ATOM 818 CA GLU A 103 4.126 3.935 -15.832 1.00 0.00 C ATOM 819 C GLU A 103 5.566 3.463 -15.616 1.00 0.00 C ATOM 820 O GLU A 103 6.092 2.682 -16.408 1.00 0.00 O ATOM 821 CB GLU A 103 4.075 5.113 -16.806 1.00 0.00 C ATOM 822 CG GLU A 103 5.285 6.031 -16.622 1.00 0.00 C ATOM 823 CD GLU A 103 5.136 7.309 -17.449 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.419 7.243 -18.471 1.00 0.00 O ATOM 825 OE2 GLU A 103 5.742 8.324 -17.041 1.00 0.00 O ATOM 0 H GLU A 103 3.025 5.179 -14.555 1.00 0.00 H new ATOM 0 HA GLU A 103 3.558 3.116 -16.274 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.049 4.741 -17.830 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.157 5.680 -16.649 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.395 6.287 -15.568 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.193 5.506 -16.919 1.00 0.00 H new ATOM 826 N HIS A 104 6.163 3.958 -14.541 1.00 0.00 N ATOM 827 CA HIS A 104 7.531 3.598 -14.213 1.00 0.00 C ATOM 828 C HIS A 104 7.544 2.737 -12.947 1.00 0.00 C ATOM 829 O HIS A 104 7.723 1.522 -13.021 1.00 0.00 O ATOM 830 CB HIS A 104 8.408 4.845 -14.090 1.00 0.00 C ATOM 831 CG HIS A 104 9.759 4.588 -13.467 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.169 3.623 -12.595 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 10.866 5.377 -13.725 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 11.457 3.811 -12.335 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 11.891 4.899 -13.035 1.00 0.00 N flip ATOM 0 H HIS A 104 5.724 4.605 -13.887 1.00 0.00 H new ATOM 0 HA HIS A 104 7.958 3.004 -15.021 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.553 5.274 -15.082 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.881 5.590 -13.494 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.890 6.237 -14.378 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.062 3.203 -11.678 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.838 5.278 -13.028 1.00 0.00 H new ATOM 836 N VAL A 105 7.352 3.401 -11.817 1.00 0.00 N ATOM 837 CA VAL A 105 7.340 2.713 -10.538 1.00 0.00 C ATOM 838 C VAL A 105 6.671 1.347 -10.705 1.00 0.00 C ATOM 839 O VAL A 105 7.253 0.320 -10.360 1.00 0.00 O ATOM 840 CB VAL A 105 6.662 3.585 -9.480 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.147 3.620 -9.688 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.011 3.108 -8.069 1.00 0.00 C ATOM 0 H VAL A 105 7.203 4.409 -11.761 1.00 0.00 H new ATOM 0 HA VAL A 105 8.358 2.537 -10.190 1.00 0.00 H new ATOM 0 HB VAL A 105 7.039 4.601 -9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.689 4.247 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.924 4.029 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.746 2.609 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.516 3.745 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.676 2.079 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.090 3.159 -7.924 1.00 0.00 H new ATOM 843 N LEU A 106 5.456 1.379 -11.234 1.00 0.00 N ATOM 844 CA LEU A 106 4.702 0.157 -11.451 1.00 0.00 C ATOM 845 C LEU A 106 5.443 -0.723 -12.460 1.00 0.00 C ATOM 846 O LEU A 106 5.584 -1.927 -12.253 1.00 0.00 O ATOM 847 CB LEU A 106 3.263 0.481 -11.859 1.00 0.00 C ATOM 848 CG LEU A 106 2.826 -0.022 -13.237 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.990 -1.539 -13.343 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.398 0.424 -13.556 1.00 0.00 C ATOM 0 H LEU A 106 4.976 2.233 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 106 4.627 -0.413 -10.525 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.591 0.060 -11.111 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.134 1.563 -11.831 1.00 0.00 H new ATOM 0 HG LEU A 106 3.478 0.426 -13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.673 -1.871 -14.331 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.036 -1.803 -13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.378 -2.025 -12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.112 0.053 -14.540 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.716 0.024 -12.806 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.347 1.513 -13.549 1.00 0.00 H new ATOM 851 N LYS A 107 5.898 -0.087 -13.529 1.00 0.00 N ATOM 852 CA LYS A 107 6.621 -0.797 -14.571 1.00 0.00 C ATOM 853 C LYS A 107 7.723 -1.645 -13.932 1.00 0.00 C ATOM 854 O LYS A 107 8.136 -2.658 -14.495 1.00 0.00 O ATOM 855 CB LYS A 107 7.134 0.181 -15.630 1.00 0.00 C ATOM 856 CG LYS A 107 8.291 -0.427 -16.424 1.00 0.00 C ATOM 857 CD LYS A 107 9.640 0.056 -15.887 1.00 0.00 C ATOM 858 CE LYS A 107 10.797 -0.612 -16.632 1.00 0.00 C ATOM 859 NZ LYS A 107 12.007 -0.652 -15.780 1.00 0.00 N ATOM 0 H LYS A 107 5.780 0.912 -13.697 1.00 0.00 H new ATOM 0 HA LYS A 107 5.956 -1.481 -15.098 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.323 0.446 -16.308 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.463 1.103 -15.150 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.242 -1.515 -16.369 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.197 -0.156 -17.476 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.711 1.139 -15.993 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.712 -0.166 -14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.515 -1.624 -16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.010 -0.065 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.783 -1.108 -16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.284 0.317 -15.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.805 -1.193 -14.915 1.00 0.00 H new ATOM 860 N ILE A 108 8.167 -1.200 -12.766 1.00 0.00 N ATOM 861 CA ILE A 108 9.214 -1.906 -12.045 1.00 0.00 C ATOM 862 C ILE A 108 8.586 -3.014 -11.199 1.00 0.00 C ATOM 863 O ILE A 108 9.139 -4.108 -11.093 1.00 0.00 O ATOM 864 CB ILE A 108 10.065 -0.923 -11.239 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.514 0.255 -12.106 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.248 -1.634 -10.580 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.467 1.170 -11.336 1.00 0.00 C ATOM 0 H ILE A 108 7.822 -0.360 -12.302 1.00 0.00 H new ATOM 0 HA ILE A 108 9.900 -2.387 -12.742 1.00 0.00 H new ATOM 0 HB ILE A 108 9.448 -0.515 -10.438 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.007 -0.117 -13.004 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.643 0.823 -12.433 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.836 -0.912 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.879 -2.409 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.873 -2.089 -11.348 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.771 1.999 -11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.962 1.559 -10.452 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.348 0.605 -11.032 1.00 0.00 H new ATOM 868 N ALA A 109 7.439 -2.693 -10.618 1.00 0.00 N ATOM 869 CA ALA A 109 6.730 -3.649 -9.784 1.00 0.00 C ATOM 870 C ALA A 109 6.516 -4.944 -10.569 1.00 0.00 C ATOM 871 O ALA A 109 6.641 -6.036 -10.016 1.00 0.00 O ATOM 872 CB ALA A 109 5.412 -3.031 -9.308 1.00 0.00 C ATOM 0 H ALA A 109 6.983 -1.785 -10.708 1.00 0.00 H new ATOM 0 HA ALA A 109 7.315 -3.894 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.879 -3.747 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.620 -2.130 -8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.797 -2.776 -10.171 1.00 0.00 H new ATOM 873 N LYS A 110 6.199 -4.780 -11.845 1.00 0.00 N ATOM 874 CA LYS A 110 5.967 -5.924 -12.711 1.00 0.00 C ATOM 875 C LYS A 110 4.530 -6.414 -12.528 1.00 0.00 C ATOM 876 O LYS A 110 4.255 -7.606 -12.655 1.00 0.00 O ATOM 877 CB LYS A 110 7.021 -7.005 -12.464 1.00 0.00 C ATOM 878 CG LYS A 110 7.094 -7.979 -13.642 1.00 0.00 C ATOM 879 CD LYS A 110 8.463 -8.660 -13.707 1.00 0.00 C ATOM 880 CE LYS A 110 8.986 -8.704 -15.145 1.00 0.00 C ATOM 881 NZ LYS A 110 8.826 -10.061 -15.713 1.00 0.00 N ATOM 0 H LYS A 110 6.097 -3.873 -12.300 1.00 0.00 H new ATOM 0 HA LYS A 110 6.076 -5.638 -13.757 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.995 -6.540 -12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.781 -7.550 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.313 -8.733 -13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.905 -7.444 -14.573 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.171 -8.123 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.388 -9.673 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.446 -7.981 -15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.037 -8.417 -15.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.186 -10.074 -16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.361 -10.743 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.819 -10.321 -15.712 1.00 0.00 H new ATOM 882 N VAL A 111 3.649 -5.469 -12.233 1.00 0.00 N ATOM 883 CA VAL A 111 2.246 -5.790 -12.031 1.00 0.00 C ATOM 884 C VAL A 111 1.514 -5.721 -13.373 1.00 0.00 C ATOM 885 O VAL A 111 0.294 -5.574 -13.411 1.00 0.00 O ATOM 886 CB VAL A 111 1.645 -4.862 -10.973 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.485 -4.870 -9.695 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.486 -3.441 -11.517 1.00 0.00 C ATOM 0 H VAL A 111 3.880 -4.481 -12.129 1.00 0.00 H new ATOM 0 HA VAL A 111 2.136 -6.806 -11.653 1.00 0.00 H new ATOM 0 HB VAL A 111 0.653 -5.238 -10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.036 -4.202 -8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.523 -5.882 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.496 -4.532 -9.922 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.057 -2.802 -10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.461 -3.052 -11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.826 -3.455 -12.385 1.00 0.00 H new ATOM 889 N PHE A 112 2.291 -5.831 -14.441 1.00 0.00 N ATOM 890 CA PHE A 112 1.731 -5.783 -15.781 1.00 0.00 C ATOM 891 C PHE A 112 2.671 -6.444 -16.791 1.00 0.00 C ATOM 892 O PHE A 112 3.884 -6.242 -16.741 1.00 0.00 O ATOM 893 CB PHE A 112 1.568 -4.306 -16.145 1.00 0.00 C ATOM 894 CG PHE A 112 2.880 -3.602 -16.494 1.00 0.00 C ATOM 895 CD1 PHE A 112 4.036 -3.978 -15.884 1.00 0.00 C ATOM 896 CD2 PHE A 112 2.891 -2.601 -17.415 1.00 0.00 C ATOM 897 CE1 PHE A 112 5.255 -3.325 -16.209 1.00 0.00 C ATOM 898 CE2 PHE A 112 4.110 -1.948 -17.740 1.00 0.00 C ATOM 899 CZ PHE A 112 5.266 -2.323 -17.130 1.00 0.00 C ATOM 0 H PHE A 112 3.303 -5.953 -14.405 1.00 0.00 H new ATOM 0 HA PHE A 112 0.780 -6.316 -15.807 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.887 -4.224 -16.992 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.100 -3.786 -15.309 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.027 -4.773 -15.153 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.973 -2.303 -17.899 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.173 -3.624 -15.725 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.119 -1.154 -18.472 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.193 -1.826 -17.376 1.00 0.00 H new ATOM 900 N ASN A 113 2.076 -7.221 -17.685 1.00 0.00 N ATOM 901 CA ASN A 113 2.845 -7.912 -18.705 1.00 0.00 C ATOM 902 C ASN A 113 2.898 -7.052 -19.968 1.00 0.00 C ATOM 903 O ASN A 113 3.934 -6.974 -20.628 1.00 0.00 O ATOM 904 CB ASN A 113 2.197 -9.250 -19.071 1.00 0.00 C ATOM 905 CG ASN A 113 1.011 -9.554 -18.153 1.00 0.00 C ATOM 906 OD1 ASN A 113 1.056 -10.433 -17.308 1.00 0.00 O ATOM 907 ND2 ASN A 113 -0.049 -8.780 -18.365 1.00 0.00 N ATOM 0 H ASN A 113 1.070 -7.387 -17.724 1.00 0.00 H new ATOM 0 HA ASN A 113 3.845 -8.091 -18.310 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.862 -9.224 -20.108 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.935 -10.049 -18.994 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.891 -8.904 -17.803 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.020 -8.062 -19.089 1.00 0.00 H new