USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 997 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 77 LYS NZ :NH3+ -121:sc= -0.103 (180deg=-0.601) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= 0.594 F(o=-6.7!,f=-0.92) USER MOD Set 1.3: A 86 TYR OH : rot 35:sc= -1.42! USER MOD Set 2.1: A 71 ASN : amide:sc= -9.02! C(o=-15!,f=-19!) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -5.55! C(o=-15!,f=-28!) USER MOD Set 3.1: A 36 GLN : amide:sc= -13.6! C(o=-15!,f=-22!) USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -5.29! C(o=-5.3!,f=-15!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.83! C(o=-1.8!,f=-1.4!) USER MOD Single : A 11 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.0586 (180deg=-0.278) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= -1.69! (180deg=-2.54!) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.228 F(o=-1.1,f=-0.23) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -1.82 F(o=-2.6!,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.614 (180deg=-2.31!) USER MOD Single : A 44 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 45 GLN : amide:sc= -0.0421 X(o=-0.042,f=0.38) USER MOD Single : A 46 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.17) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00511 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -26:sc= 0.688 USER MOD Single : A 75 TYR OH : rot 106:sc= -5.07! USER MOD Single : A 76 MET CE :methyl -160:sc= -0.86 (180deg=-2.64!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0582 F(o=-1.2,f=-0.058) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 130:sc= -0.814 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.906 F(o=-2.6!,f=-0.91) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -147:sc= 0.783 (180deg=-0.271!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.782 F(o=-2.5!,f=-0.78) USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.39! USER MOD Single : A 109 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0562) USER MOD Single : A 111 MET CE :methyl 134:sc= -1.9 (180deg=-3.95!) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 124 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.6!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.045 14.179 8.340 1.00 0.00 N ATOM 2 CA SER A 1 -1.752 13.552 8.742 1.00 0.00 C ATOM 3 C SER A 1 -1.992 12.151 9.313 1.00 0.00 C ATOM 4 O SER A 1 -2.717 11.979 10.272 1.00 0.00 O ATOM 5 CB SER A 1 -1.185 14.476 9.816 1.00 0.00 C ATOM 6 OG SER A 1 -0.544 15.581 9.193 1.00 0.00 O ATOM 0 H1 SER A 1 -2.866 15.128 7.955 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.505 13.592 7.615 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.667 14.254 9.170 1.00 0.00 H new ATOM 0 HA SER A 1 -1.071 13.436 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.984 14.825 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.475 13.934 10.441 1.00 0.00 H new ATOM 0 HG SER A 1 -0.180 16.178 9.880 1.00 0.00 H new ATOM 14 N GLN A 2 -1.385 11.153 8.732 1.00 0.00 N ATOM 15 CA GLN A 2 -1.570 9.765 9.238 1.00 0.00 C ATOM 16 C GLN A 2 -3.034 9.319 9.128 1.00 0.00 C ATOM 17 O GLN A 2 -3.929 10.137 9.081 1.00 0.00 O ATOM 18 CB GLN A 2 -1.157 9.807 10.670 1.00 0.00 C ATOM 19 CG GLN A 2 0.196 9.220 10.770 1.00 0.00 C ATOM 20 CD GLN A 2 1.252 10.219 10.286 1.00 0.00 C ATOM 21 OE1 GLN A 2 0.944 11.122 9.533 1.00 0.00 O ATOM 22 NE2 GLN A 2 2.495 10.101 10.685 1.00 0.00 N ATOM 0 H GLN A 2 -0.767 11.240 7.926 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.983 9.054 8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.156 10.833 11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.862 9.249 11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.401 8.937 11.803 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.248 8.309 10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.758 9.345 11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.199 10.765 10.364 1.00 0.00 H new ATOM 31 N VAL A 3 -3.292 8.035 9.089 1.00 0.00 N ATOM 32 CA VAL A 3 -4.675 7.557 8.988 1.00 0.00 C ATOM 33 C VAL A 3 -4.769 6.234 9.744 1.00 0.00 C ATOM 34 O VAL A 3 -3.775 5.731 10.229 1.00 0.00 O ATOM 35 CB VAL A 3 -4.883 7.320 7.489 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.177 8.411 6.671 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.359 5.925 7.081 1.00 0.00 C ATOM 0 H VAL A 3 -2.584 7.301 9.124 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.413 8.246 9.399 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.952 7.363 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.334 8.228 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.586 9.386 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.109 8.394 6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.516 5.776 6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.294 5.857 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.897 5.157 7.637 1.00 0.00 H new ATOM 47 N ASP A 4 -5.915 5.629 9.819 1.00 0.00 N ATOM 48 CA ASP A 4 -5.953 4.328 10.505 1.00 0.00 C ATOM 49 C ASP A 4 -5.470 3.291 9.577 1.00 0.00 C ATOM 50 O ASP A 4 -5.652 3.354 8.377 1.00 0.00 O ATOM 51 CB ASP A 4 -7.358 4.074 11.058 1.00 0.00 C ATOM 52 CG ASP A 4 -7.472 2.615 11.505 1.00 0.00 C ATOM 53 OD1 ASP A 4 -6.496 2.096 12.020 1.00 0.00 O ATOM 54 OD2 ASP A 4 -8.535 2.043 11.328 1.00 0.00 O ATOM 0 H ASP A 4 -6.800 5.971 9.445 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.290 4.311 11.370 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.556 4.740 11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.106 4.292 10.295 1.00 0.00 H new ATOM 59 N VAL A 5 -4.668 2.434 10.113 1.00 0.00 N ATOM 60 CA VAL A 5 -3.967 1.518 9.247 1.00 0.00 C ATOM 61 C VAL A 5 -3.320 0.398 10.076 1.00 0.00 C ATOM 62 O VAL A 5 -3.425 0.389 11.286 1.00 0.00 O ATOM 63 CB VAL A 5 -2.994 2.538 8.704 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.588 2.333 9.278 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.967 2.463 7.178 1.00 0.00 C ATOM 0 H VAL A 5 -4.478 2.340 11.111 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.524 0.959 8.496 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.330 3.529 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.914 3.084 8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.620 2.431 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.229 1.339 9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.264 3.200 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.655 1.466 6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.963 2.670 6.786 1.00 0.00 H new ATOM 75 N LYS A 6 -2.658 -0.545 9.464 1.00 0.00 N ATOM 76 CA LYS A 6 -2.033 -1.632 10.284 1.00 0.00 C ATOM 77 C LYS A 6 -0.842 -2.239 9.615 1.00 0.00 C ATOM 78 O LYS A 6 -0.841 -2.623 8.472 1.00 0.00 O ATOM 79 CB LYS A 6 -3.085 -2.705 10.486 1.00 0.00 C ATOM 80 CG LYS A 6 -4.494 -2.098 10.492 1.00 0.00 C ATOM 81 CD LYS A 6 -5.538 -3.216 10.529 1.00 0.00 C ATOM 82 CE LYS A 6 -5.488 -3.916 11.890 1.00 0.00 C ATOM 83 NZ LYS A 6 -6.641 -4.861 11.889 1.00 0.00 N ATOM 0 H LYS A 6 -2.522 -0.615 8.456 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.689 -1.207 11.227 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.009 -3.448 9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.904 -3.224 11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.615 -1.445 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.639 -1.482 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.533 -2.805 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.346 -3.934 9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.545 -4.446 12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.569 -3.197 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.669 -5.376 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.526 -4.329 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.534 -5.539 11.108 1.00 0.00 H new ATOM 97 N ASP A 7 0.161 -2.354 10.380 1.00 0.00 N ATOM 98 CA ASP A 7 1.414 -2.966 9.902 1.00 0.00 C ATOM 99 C ASP A 7 1.208 -4.476 9.739 1.00 0.00 C ATOM 100 O ASP A 7 0.466 -5.089 10.480 1.00 0.00 O ATOM 101 CB ASP A 7 2.361 -2.651 11.028 1.00 0.00 C ATOM 102 CG ASP A 7 3.599 -3.545 10.940 1.00 0.00 C ATOM 103 OD1 ASP A 7 4.542 -3.155 10.275 1.00 0.00 O ATOM 104 OD2 ASP A 7 3.579 -4.607 11.540 1.00 0.00 O ATOM 0 H ASP A 7 0.181 -2.044 11.352 1.00 0.00 H new ATOM 0 HA ASP A 7 1.769 -2.606 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.656 -1.603 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.862 -2.801 11.986 1.00 0.00 H new ATOM 109 N CYS A 8 1.848 -5.080 8.781 1.00 0.00 N ATOM 110 CA CYS A 8 1.677 -6.545 8.583 1.00 0.00 C ATOM 111 C CYS A 8 3.027 -7.180 8.304 1.00 0.00 C ATOM 112 O CYS A 8 3.118 -8.271 7.778 1.00 0.00 O ATOM 113 CB CYS A 8 0.750 -6.694 7.378 1.00 0.00 C ATOM 114 SG CYS A 8 1.303 -5.661 5.974 1.00 0.00 S ATOM 0 H CYS A 8 2.483 -4.624 8.126 1.00 0.00 H new ATOM 0 HA CYS A 8 1.261 -7.036 9.463 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.716 -7.739 7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.264 -6.412 7.661 1.00 0.00 H new ATOM 119 N ALA A 9 4.090 -6.473 8.596 1.00 0.00 N ATOM 120 CA ALA A 9 5.437 -7.031 8.272 1.00 0.00 C ATOM 121 C ALA A 9 6.299 -7.049 9.508 1.00 0.00 C ATOM 122 O ALA A 9 6.357 -8.030 10.223 1.00 0.00 O ATOM 123 CB ALA A 9 5.999 -6.098 7.180 1.00 0.00 C ATOM 0 H ALA A 9 4.085 -5.553 9.036 1.00 0.00 H new ATOM 0 HA ALA A 9 5.400 -8.062 7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.991 -6.440 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.338 -6.112 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.066 -5.082 7.569 1.00 0.00 H new ATOM 129 N ASN A 10 6.926 -5.988 9.798 1.00 0.00 N ATOM 130 CA ASN A 10 7.743 -5.970 11.043 1.00 0.00 C ATOM 131 C ASN A 10 8.010 -4.556 11.546 1.00 0.00 C ATOM 132 O ASN A 10 9.130 -4.088 11.591 1.00 0.00 O ATOM 133 CB ASN A 10 9.010 -6.765 10.769 1.00 0.00 C ATOM 134 CG ASN A 10 10.130 -6.376 11.753 1.00 0.00 C ATOM 135 OD1 ASN A 10 10.093 -6.782 12.897 1.00 0.00 O ATOM 136 ND2 ASN A 10 11.134 -5.601 11.379 1.00 0.00 N ATOM 0 H ASN A 10 6.925 -5.128 9.250 1.00 0.00 H new ATOM 0 HA ASN A 10 7.195 -6.438 11.861 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.800 -7.831 10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.342 -6.586 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.863 -5.352 12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.180 -5.252 10.422 1.00 0.00 H new ATOM 143 N HIS A 11 6.963 -3.882 11.939 1.00 0.00 N ATOM 144 CA HIS A 11 7.107 -2.487 12.468 1.00 0.00 C ATOM 145 C HIS A 11 8.198 -1.744 11.707 1.00 0.00 C ATOM 146 O HIS A 11 8.877 -0.884 12.230 1.00 0.00 O ATOM 147 CB HIS A 11 7.473 -2.644 13.941 1.00 0.00 C ATOM 148 CG HIS A 11 7.889 -1.318 14.514 1.00 0.00 C ATOM 149 ND1 HIS A 11 9.221 -0.954 14.645 1.00 0.00 N ATOM 150 CD2 HIS A 11 7.163 -0.256 14.996 1.00 0.00 C ATOM 151 CE1 HIS A 11 9.254 0.277 15.187 1.00 0.00 C ATOM 152 NE2 HIS A 11 8.026 0.749 15.420 1.00 0.00 N ATOM 0 H HIS A 11 6.007 -4.237 11.918 1.00 0.00 H new ATOM 0 HA HIS A 11 6.192 -1.906 12.348 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.621 -3.037 14.496 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.283 -3.365 14.048 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.085 -0.209 15.039 1.00 0.00 H new ATOM 0 HE1 HIS A 11 10.163 0.818 15.407 1.00 0.00 H new ATOM 0 HE2 HIS A 11 7.775 1.652 15.822 1.00 0.00 H new ATOM 160 N GLU A 12 8.371 -2.080 10.468 1.00 0.00 N ATOM 161 CA GLU A 12 9.417 -1.409 9.662 1.00 0.00 C ATOM 162 C GLU A 12 8.868 -0.197 8.915 1.00 0.00 C ATOM 163 O GLU A 12 9.413 0.226 7.914 1.00 0.00 O ATOM 164 CB GLU A 12 9.933 -2.431 8.721 1.00 0.00 C ATOM 165 CG GLU A 12 11.446 -2.306 8.652 1.00 0.00 C ATOM 166 CD GLU A 12 11.854 -1.698 7.308 1.00 0.00 C ATOM 167 OE1 GLU A 12 11.057 -0.963 6.749 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.955 -1.976 6.863 1.00 0.00 O ATOM 0 H GLU A 12 7.832 -2.793 9.976 1.00 0.00 H new ATOM 0 HA GLU A 12 10.210 -1.024 10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.651 -3.429 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.496 -2.290 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.806 -1.681 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.907 -3.286 8.773 1.00 0.00 H new ATOM 175 N ILE A 13 7.778 0.352 9.377 1.00 0.00 N ATOM 176 CA ILE A 13 7.176 1.516 8.684 1.00 0.00 C ATOM 177 C ILE A 13 7.108 2.732 9.607 1.00 0.00 C ATOM 178 O ILE A 13 7.664 2.756 10.686 1.00 0.00 O ATOM 179 CB ILE A 13 5.800 0.960 8.288 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.724 0.860 6.759 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.634 1.830 8.816 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.272 0.668 6.318 1.00 0.00 C ATOM 0 H ILE A 13 7.279 0.039 10.210 1.00 0.00 H new ATOM 0 HA ILE A 13 7.739 1.886 7.827 1.00 0.00 H new ATOM 0 HB ILE A 13 5.694 -0.024 8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.134 1.763 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.332 0.025 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.685 1.392 8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.677 1.874 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.718 2.837 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.228 0.598 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.877 -0.248 6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.675 1.517 6.651 1.00 0.00 H new ATOM 194 N LYS A 14 6.425 3.734 9.161 1.00 0.00 N ATOM 195 CA LYS A 14 6.281 4.983 9.954 1.00 0.00 C ATOM 196 C LYS A 14 5.107 5.815 9.424 1.00 0.00 C ATOM 197 O LYS A 14 4.277 6.247 10.199 1.00 0.00 O ATOM 198 CB LYS A 14 7.607 5.737 9.852 1.00 0.00 C ATOM 199 CG LYS A 14 8.085 5.802 8.404 1.00 0.00 C ATOM 200 CD LYS A 14 9.400 6.582 8.337 1.00 0.00 C ATOM 201 CE LYS A 14 10.388 6.013 9.358 1.00 0.00 C ATOM 202 NZ LYS A 14 10.422 7.016 10.461 1.00 0.00 N ATOM 0 H LYS A 14 5.947 3.746 8.260 1.00 0.00 H new ATOM 0 HA LYS A 14 6.061 4.767 11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.487 6.746 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.360 5.242 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.226 4.795 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.331 6.285 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.821 6.518 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.219 7.637 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.063 5.038 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.376 5.876 8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.658 6.541 11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.141 7.738 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.490 7.470 10.546 1.00 0.00 H new ATOM 216 N LYS A 15 4.977 6.052 8.123 1.00 0.00 N ATOM 217 CA LYS A 15 3.781 6.855 7.707 1.00 0.00 C ATOM 218 C LYS A 15 3.182 6.374 6.406 1.00 0.00 C ATOM 219 O LYS A 15 3.848 6.084 5.450 1.00 0.00 O ATOM 220 CB LYS A 15 4.223 8.318 7.635 1.00 0.00 C ATOM 221 CG LYS A 15 3.077 9.154 7.114 1.00 0.00 C ATOM 222 CD LYS A 15 3.316 10.592 7.552 1.00 0.00 C ATOM 223 CE LYS A 15 2.969 11.547 6.408 1.00 0.00 C ATOM 224 NZ LYS A 15 1.538 11.275 6.100 1.00 0.00 N ATOM 0 H LYS A 15 5.607 5.744 7.382 1.00 0.00 H new ATOM 0 HA LYS A 15 2.981 6.736 8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.526 8.668 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.089 8.418 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.020 9.090 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.128 8.788 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.707 10.821 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.358 10.724 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.119 12.586 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.601 11.367 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.110 12.117 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.471 10.473 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.032 11.044 6.979 1.00 0.00 H new ATOM 238 N VAL A 16 1.897 6.286 6.389 1.00 0.00 N ATOM 239 CA VAL A 16 1.202 5.817 5.144 1.00 0.00 C ATOM 240 C VAL A 16 0.033 6.718 4.805 1.00 0.00 C ATOM 241 O VAL A 16 -1.038 6.653 5.376 1.00 0.00 O ATOM 242 CB VAL A 16 0.713 4.375 5.382 1.00 0.00 C ATOM 243 CG1 VAL A 16 1.438 3.436 4.420 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.986 3.938 6.824 1.00 0.00 C ATOM 0 H VAL A 16 1.285 6.514 7.172 1.00 0.00 H new ATOM 0 HA VAL A 16 1.895 5.848 4.303 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.362 4.336 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.097 2.414 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.223 3.731 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.512 3.492 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.632 2.917 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.057 3.982 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.463 4.603 7.511 1.00 0.00 H new ATOM 254 N LEU A 17 0.266 7.541 3.848 1.00 0.00 N ATOM 255 CA LEU A 17 -0.786 8.490 3.366 1.00 0.00 C ATOM 256 C LEU A 17 -1.576 7.905 2.211 1.00 0.00 C ATOM 257 O LEU A 17 -1.048 7.483 1.197 1.00 0.00 O ATOM 258 CB LEU A 17 -0.071 9.755 2.962 1.00 0.00 C ATOM 259 CG LEU A 17 -0.624 10.930 3.748 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.117 12.238 3.146 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.154 10.904 3.726 1.00 0.00 C ATOM 0 H LEU A 17 1.157 7.610 3.357 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.515 8.691 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.999 9.654 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.196 9.929 1.893 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.286 10.857 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.516 13.079 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.972 12.259 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.444 12.312 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.540 11.751 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.504 10.967 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.509 9.976 4.174 1.00 0.00 H new ATOM 273 N VAL A 18 -2.864 7.902 2.389 1.00 0.00 N ATOM 274 CA VAL A 18 -3.793 7.371 1.340 1.00 0.00 C ATOM 275 C VAL A 18 -5.065 8.234 1.302 1.00 0.00 C ATOM 276 O VAL A 18 -5.547 8.663 2.331 1.00 0.00 O ATOM 277 CB VAL A 18 -4.126 5.944 1.766 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.073 5.307 0.745 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.843 5.115 1.849 1.00 0.00 C ATOM 0 H VAL A 18 -3.327 8.250 3.229 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.349 7.391 0.345 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.607 5.969 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.308 4.288 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.992 5.890 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.594 5.289 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.087 4.097 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.359 5.096 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.168 5.561 2.580 1.00 0.00 H new ATOM 289 N PRO A 19 -5.560 8.476 0.112 1.00 0.00 N ATOM 290 CA PRO A 19 -6.779 9.319 -0.054 1.00 0.00 C ATOM 291 C PRO A 19 -8.034 8.583 0.454 1.00 0.00 C ATOM 292 O PRO A 19 -8.251 7.432 0.131 1.00 0.00 O ATOM 293 CB PRO A 19 -6.850 9.539 -1.569 1.00 0.00 C ATOM 294 CG PRO A 19 -6.128 8.392 -2.162 1.00 0.00 C ATOM 295 CD PRO A 19 -5.047 7.995 -1.178 1.00 0.00 C ATOM 0 HA PRO A 19 -6.734 10.249 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.883 9.574 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.387 10.484 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.808 7.560 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.693 8.665 -3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.889 6.917 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.091 8.455 -1.426 1.00 0.00 H new ATOM 303 N GLY A 20 -8.867 9.230 1.243 1.00 0.00 N ATOM 304 CA GLY A 20 -10.094 8.544 1.749 1.00 0.00 C ATOM 305 C GLY A 20 -10.046 8.469 3.274 1.00 0.00 C ATOM 306 O GLY A 20 -10.729 9.197 3.968 1.00 0.00 O ATOM 0 H GLY A 20 -8.747 10.194 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.984 9.086 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.163 7.541 1.327 1.00 0.00 H new ATOM 310 N CYS A 21 -9.244 7.590 3.795 1.00 0.00 N ATOM 311 CA CYS A 21 -9.141 7.453 5.290 1.00 0.00 C ATOM 312 C CYS A 21 -8.023 8.362 5.831 1.00 0.00 C ATOM 313 O CYS A 21 -6.967 8.450 5.236 1.00 0.00 O ATOM 314 CB CYS A 21 -8.806 5.985 5.572 1.00 0.00 C ATOM 315 SG CYS A 21 -9.564 4.905 4.323 1.00 0.00 S ATOM 0 H CYS A 21 -8.651 6.956 3.260 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.071 7.747 5.776 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.725 5.847 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.163 5.709 6.564 1.00 0.00 H new ATOM 320 N HIS A 22 -8.209 9.033 6.955 1.00 0.00 N ATOM 321 CA HIS A 22 -7.096 9.889 7.464 1.00 0.00 C ATOM 322 C HIS A 22 -6.976 9.775 8.967 1.00 0.00 C ATOM 323 O HIS A 22 -6.172 10.441 9.588 1.00 0.00 O ATOM 324 CB HIS A 22 -7.401 11.335 7.024 1.00 0.00 C ATOM 325 CG HIS A 22 -8.779 11.714 7.488 1.00 0.00 C ATOM 326 ND1 HIS A 22 -10.025 11.279 7.110 1.00 0.00 N flip ATOM 327 CD2 HIS A 22 -8.994 12.660 8.478 1.00 0.00 C flip ATOM 328 CE1 HIS A 22 -10.998 11.942 7.851 1.00 0.00 C flip ATOM 329 NE2 HIS A 22 -10.323 12.762 8.660 1.00 0.00 N flip ATOM 0 H HIS A 22 -9.058 9.022 7.520 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.138 9.568 7.056 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.663 12.018 7.443 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.334 11.419 5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.233 13.214 9.007 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.069 11.820 7.786 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.762 13.389 9.334 1.00 0.00 H new ATOM 337 N GLY A 23 -7.719 8.905 9.556 1.00 0.00 N ATOM 338 CA GLY A 23 -7.572 8.724 11.027 1.00 0.00 C ATOM 339 C GLY A 23 -8.447 7.571 11.532 1.00 0.00 C ATOM 340 O GLY A 23 -8.740 6.645 10.804 1.00 0.00 O ATOM 0 H GLY A 23 -8.415 8.314 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.528 8.525 11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.848 9.646 11.539 1.00 0.00 H new ATOM 344 N SER A 24 -8.871 7.608 12.779 1.00 0.00 N ATOM 345 CA SER A 24 -9.721 6.492 13.294 1.00 0.00 C ATOM 346 C SER A 24 -11.056 6.474 12.558 1.00 0.00 C ATOM 347 O SER A 24 -11.840 5.555 12.681 1.00 0.00 O ATOM 348 CB SER A 24 -9.941 6.813 14.751 1.00 0.00 C ATOM 349 OG SER A 24 -8.798 7.484 15.267 1.00 0.00 O ATOM 0 H SER A 24 -8.667 8.351 13.448 1.00 0.00 H new ATOM 0 HA SER A 24 -9.255 5.517 13.151 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.826 7.438 14.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.122 5.897 15.313 1.00 0.00 H new ATOM 0 HG SER A 24 -8.942 7.694 16.213 1.00 0.00 H new ATOM 355 N GLU A 25 -11.309 7.487 11.791 1.00 0.00 N ATOM 356 CA GLU A 25 -12.546 7.581 11.035 1.00 0.00 C ATOM 357 C GLU A 25 -12.721 6.520 9.996 1.00 0.00 C ATOM 358 O GLU A 25 -11.931 5.626 9.774 1.00 0.00 O ATOM 359 CB GLU A 25 -12.446 8.911 10.355 1.00 0.00 C ATOM 360 CG GLU A 25 -13.122 9.937 11.228 1.00 0.00 C ATOM 361 CD GLU A 25 -12.160 11.082 11.547 1.00 0.00 C ATOM 362 OE1 GLU A 25 -11.154 10.824 12.188 1.00 0.00 O ATOM 363 OE2 GLU A 25 -12.446 12.198 11.146 1.00 0.00 O ATOM 0 H GLU A 25 -10.676 8.276 11.662 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.398 7.460 11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.402 9.178 10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.921 8.874 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.007 10.326 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.461 9.470 12.153 1.00 0.00 H new ATOM 370 N PRO A 26 -13.860 6.703 9.478 1.00 0.00 N ATOM 371 CA PRO A 26 -14.514 5.886 8.476 1.00 0.00 C ATOM 372 C PRO A 26 -14.482 6.582 7.134 1.00 0.00 C ATOM 373 O PRO A 26 -15.052 7.635 6.925 1.00 0.00 O ATOM 374 CB PRO A 26 -15.909 5.818 9.138 1.00 0.00 C ATOM 375 CG PRO A 26 -15.923 7.004 10.110 1.00 0.00 C ATOM 376 CD PRO A 26 -14.746 7.787 9.808 1.00 0.00 C ATOM 0 HA PRO A 26 -14.086 4.911 8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.705 5.900 8.398 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.056 4.873 9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.828 7.598 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.907 6.660 11.144 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.897 8.479 8.980 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.399 8.376 10.657 1.00 0.00 H new ATOM 384 N CYS A 27 -13.785 5.974 6.236 1.00 0.00 N ATOM 385 CA CYS A 27 -13.651 6.567 4.858 1.00 0.00 C ATOM 386 C CYS A 27 -14.544 5.864 3.860 1.00 0.00 C ATOM 387 O CYS A 27 -14.246 4.817 3.329 1.00 0.00 O ATOM 388 CB CYS A 27 -12.176 6.473 4.447 1.00 0.00 C ATOM 389 SG CYS A 27 -11.521 4.825 4.827 1.00 0.00 S ATOM 0 H CYS A 27 -13.295 5.091 6.378 1.00 0.00 H new ATOM 0 HA CYS A 27 -13.971 7.609 4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.075 6.675 3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.596 7.232 4.972 1.00 0.00 H new ATOM 394 N ILE A 28 -15.635 6.498 3.602 1.00 0.00 N ATOM 395 CA ILE A 28 -16.627 6.020 2.639 1.00 0.00 C ATOM 396 C ILE A 28 -16.196 6.438 1.232 1.00 0.00 C ATOM 397 O ILE A 28 -16.741 7.357 0.654 1.00 0.00 O ATOM 398 CB ILE A 28 -17.848 6.776 3.085 1.00 0.00 C ATOM 399 CG1 ILE A 28 -18.180 6.381 4.459 1.00 0.00 C ATOM 400 CG2 ILE A 28 -19.010 6.510 2.173 1.00 0.00 C ATOM 401 CD1 ILE A 28 -18.637 4.913 4.505 1.00 0.00 C ATOM 0 H ILE A 28 -15.888 7.379 4.049 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.772 4.940 2.605 1.00 0.00 H new ATOM 0 HB ILE A 28 -17.636 7.845 3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.311 6.517 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.968 7.025 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -19.879 7.069 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -18.757 6.823 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -19.239 5.444 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -18.879 4.639 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -19.520 4.787 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.837 4.271 4.137 1.00 0.00 H new ATOM 413 N ILE A 29 -15.198 5.791 0.697 1.00 0.00 N ATOM 414 CA ILE A 29 -14.696 6.170 -0.664 1.00 0.00 C ATOM 415 C ILE A 29 -15.868 6.484 -1.574 1.00 0.00 C ATOM 416 O ILE A 29 -16.756 5.688 -1.805 1.00 0.00 O ATOM 417 CB ILE A 29 -13.904 4.973 -1.182 1.00 0.00 C ATOM 418 CG1 ILE A 29 -13.200 5.377 -2.442 1.00 0.00 C ATOM 419 CG2 ILE A 29 -14.832 3.787 -1.464 1.00 0.00 C ATOM 420 CD1 ILE A 29 -12.007 4.456 -2.657 1.00 0.00 C ATOM 0 H ILE A 29 -14.705 5.015 1.139 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.066 7.059 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.182 4.664 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.881 5.316 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.869 6.413 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.245 2.945 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.343 3.499 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.569 4.072 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.487 4.741 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.325 4.540 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.353 3.426 -2.743 1.00 0.00 H new ATOM 432 N HIS A 30 -15.871 7.695 -2.036 1.00 0.00 N ATOM 433 CA HIS A 30 -16.965 8.213 -2.892 1.00 0.00 C ATOM 434 C HIS A 30 -17.018 7.520 -4.264 1.00 0.00 C ATOM 435 O HIS A 30 -17.101 8.175 -5.283 1.00 0.00 O ATOM 436 CB HIS A 30 -16.621 9.701 -3.053 1.00 0.00 C ATOM 437 CG HIS A 30 -15.515 9.871 -4.061 1.00 0.00 C ATOM 438 ND1 HIS A 30 -15.531 10.182 -5.398 1.00 0.00 N flip ATOM 439 CD2 HIS A 30 -14.178 9.734 -3.721 1.00 0.00 C flip ATOM 440 CE1 HIS A 30 -14.227 10.240 -5.882 1.00 0.00 C flip ATOM 441 NE2 HIS A 30 -13.453 9.963 -4.831 1.00 0.00 N flip ATOM 0 H HIS A 30 -15.132 8.373 -1.848 1.00 0.00 H new ATOM 0 HA HIS A 30 -17.945 8.035 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -17.504 10.254 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -16.316 10.118 -2.093 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.789 9.488 -2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.910 10.461 -6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.434 9.929 -4.865 1.00 0.00 H new ATOM 449 N ARG A 31 -16.975 6.210 -4.305 1.00 0.00 N ATOM 450 CA ARG A 31 -17.037 5.498 -5.621 1.00 0.00 C ATOM 451 C ARG A 31 -15.841 5.877 -6.490 1.00 0.00 C ATOM 452 O ARG A 31 -15.077 6.762 -6.157 1.00 0.00 O ATOM 453 CB ARG A 31 -18.331 5.938 -6.272 1.00 0.00 C ATOM 454 CG ARG A 31 -19.500 5.195 -5.655 1.00 0.00 C ATOM 455 CD ARG A 31 -20.709 6.125 -5.726 1.00 0.00 C ATOM 456 NE ARG A 31 -21.894 5.278 -5.409 1.00 0.00 N ATOM 457 CZ ARG A 31 -22.857 5.157 -6.282 1.00 0.00 C ATOM 458 NH1 ARG A 31 -22.582 4.814 -7.512 1.00 0.00 N ATOM 459 NH2 ARG A 31 -24.094 5.381 -5.929 1.00 0.00 N ATOM 0 H ARG A 31 -16.900 5.605 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 31 -17.005 4.416 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.465 7.012 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -18.292 5.746 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -19.695 4.268 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.282 4.924 -4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.613 6.945 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.801 6.571 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 31 -21.952 4.794 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.616 4.641 -7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.333 4.719 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -24.310 5.651 -4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -24.845 5.286 -6.613 1.00 0.00 H new ATOM 473 N GLY A 32 -15.641 5.192 -7.583 1.00 0.00 N ATOM 474 CA GLY A 32 -14.483 5.485 -8.431 1.00 0.00 C ATOM 475 C GLY A 32 -13.305 4.797 -7.755 1.00 0.00 C ATOM 476 O GLY A 32 -13.079 5.040 -6.587 1.00 0.00 O ATOM 0 H GLY A 32 -16.243 4.439 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.631 5.108 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.317 6.559 -8.513 1.00 0.00 H new ATOM 480 N LYS A 33 -12.602 3.866 -8.380 1.00 0.00 N ATOM 481 CA LYS A 33 -11.578 3.191 -7.596 1.00 0.00 C ATOM 482 C LYS A 33 -10.141 3.340 -8.067 1.00 0.00 C ATOM 483 O LYS A 33 -9.665 2.614 -8.922 1.00 0.00 O ATOM 484 CB LYS A 33 -12.018 1.771 -7.571 1.00 0.00 C ATOM 485 CG LYS A 33 -13.411 1.756 -6.985 1.00 0.00 C ATOM 486 CD LYS A 33 -13.388 2.243 -5.542 1.00 0.00 C ATOM 487 CE LYS A 33 -13.627 1.065 -4.599 1.00 0.00 C ATOM 488 NZ LYS A 33 -14.890 1.393 -3.882 1.00 0.00 N ATOM 0 H LYS A 33 -12.705 3.575 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.514 3.656 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.017 1.348 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.339 1.166 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.069 2.391 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.819 0.746 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.428 2.710 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.155 3.003 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.719 0.130 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.798 0.943 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.893 0.927 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.959 2.423 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.702 1.059 -4.439 1.00 0.00 H new ATOM 502 N PRO A 34 -9.489 4.265 -7.448 1.00 0.00 N ATOM 503 CA PRO A 34 -8.063 4.547 -7.669 1.00 0.00 C ATOM 504 C PRO A 34 -7.286 4.029 -6.468 1.00 0.00 C ATOM 505 O PRO A 34 -7.744 4.091 -5.345 1.00 0.00 O ATOM 506 CB PRO A 34 -8.070 6.069 -7.700 1.00 0.00 C ATOM 507 CG PRO A 34 -9.260 6.468 -6.841 1.00 0.00 C ATOM 508 CD PRO A 34 -10.037 5.203 -6.509 1.00 0.00 C ATOM 0 HA PRO A 34 -7.616 4.096 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.141 6.477 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.173 6.444 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.925 6.961 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.894 7.178 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.881 4.887 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.111 5.336 -6.643 1.00 0.00 H new ATOM 516 N PHE A 35 -6.113 3.529 -6.693 1.00 0.00 N ATOM 517 CA PHE A 35 -5.308 3.016 -5.552 1.00 0.00 C ATOM 518 C PHE A 35 -4.050 3.857 -5.421 1.00 0.00 C ATOM 519 O PHE A 35 -3.057 3.612 -6.082 1.00 0.00 O ATOM 520 CB PHE A 35 -4.981 1.567 -5.870 1.00 0.00 C ATOM 521 CG PHE A 35 -6.276 0.827 -6.188 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.448 1.127 -5.467 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.319 -0.160 -7.191 1.00 0.00 C ATOM 524 CE1 PHE A 35 -8.640 0.452 -5.747 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.518 -0.830 -7.465 1.00 0.00 C ATOM 526 CZ PHE A 35 -8.675 -0.526 -6.744 1.00 0.00 C ATOM 0 H PHE A 35 -5.674 3.451 -7.610 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.843 3.075 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.298 1.512 -6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.478 1.100 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.426 1.882 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.427 -0.401 -7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.536 0.687 -5.191 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.548 -1.585 -8.237 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.597 -1.047 -6.957 1.00 0.00 H new ATOM 536 N GLN A 36 -4.110 4.874 -4.614 1.00 0.00 N ATOM 537 CA GLN A 36 -2.930 5.782 -4.440 1.00 0.00 C ATOM 538 C GLN A 36 -2.408 5.702 -2.983 1.00 0.00 C ATOM 539 O GLN A 36 -2.813 6.473 -2.137 1.00 0.00 O ATOM 540 CB GLN A 36 -3.445 7.187 -4.737 1.00 0.00 C ATOM 541 CG GLN A 36 -3.716 7.304 -6.181 1.00 0.00 C ATOM 542 CD GLN A 36 -4.924 6.426 -6.576 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.794 6.201 -5.757 1.00 0.00 O ATOM 544 NE2 GLN A 36 -5.028 5.899 -7.787 1.00 0.00 N ATOM 0 H GLN A 36 -4.929 5.123 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.106 5.506 -5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.353 7.384 -4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.709 7.930 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.916 8.345 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.836 7.000 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.306 6.079 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.830 5.314 -8.021 1.00 0.00 H new ATOM 553 N LEU A 37 -1.504 4.792 -2.685 1.00 0.00 N ATOM 554 CA LEU A 37 -0.955 4.684 -1.309 1.00 0.00 C ATOM 555 C LEU A 37 0.503 5.179 -1.325 1.00 0.00 C ATOM 556 O LEU A 37 1.254 4.869 -2.232 1.00 0.00 O ATOM 557 CB LEU A 37 -0.965 3.173 -0.961 1.00 0.00 C ATOM 558 CG LEU A 37 -2.043 2.412 -1.733 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.952 0.913 -1.406 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.431 2.920 -1.339 1.00 0.00 C ATOM 0 H LEU A 37 -1.126 4.117 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.530 5.269 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.012 2.744 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.130 3.049 0.109 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.887 2.571 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.722 0.373 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.970 0.537 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.100 0.764 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.191 2.371 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.584 2.769 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.509 3.982 -1.570 1.00 0.00 H new ATOM 572 N GLU A 38 0.919 5.931 -0.335 1.00 0.00 N ATOM 573 CA GLU A 38 2.333 6.414 -0.310 1.00 0.00 C ATOM 574 C GLU A 38 2.807 6.322 1.100 1.00 0.00 C ATOM 575 O GLU A 38 2.153 6.730 2.027 1.00 0.00 O ATOM 576 CB GLU A 38 2.290 7.864 -0.828 1.00 0.00 C ATOM 577 CG GLU A 38 1.857 8.814 0.295 1.00 0.00 C ATOM 578 CD GLU A 38 3.054 9.115 1.198 1.00 0.00 C ATOM 579 OE1 GLU A 38 4.091 9.481 0.670 1.00 0.00 O ATOM 580 OE2 GLU A 38 2.913 8.975 2.402 1.00 0.00 O ATOM 0 H GLU A 38 0.343 6.229 0.452 1.00 0.00 H new ATOM 0 HA GLU A 38 3.017 5.834 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.272 8.154 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.596 7.939 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.465 9.739 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.053 8.364 0.877 1.00 0.00 H new ATOM 587 N ALA A 39 3.909 5.703 1.263 1.00 0.00 N ATOM 588 CA ALA A 39 4.406 5.482 2.661 1.00 0.00 C ATOM 589 C ALA A 39 5.919 5.586 2.799 1.00 0.00 C ATOM 590 O ALA A 39 6.690 5.287 1.910 1.00 0.00 O ATOM 591 CB ALA A 39 3.965 4.052 2.985 1.00 0.00 C ATOM 0 H ALA A 39 4.499 5.335 0.517 1.00 0.00 H new ATOM 0 HA ALA A 39 4.008 6.245 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.284 3.793 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.879 3.982 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.418 3.362 2.273 1.00 0.00 H new ATOM 597 N VAL A 40 6.308 5.977 3.972 1.00 0.00 N ATOM 598 CA VAL A 40 7.735 6.099 4.346 1.00 0.00 C ATOM 599 C VAL A 40 8.037 5.031 5.401 1.00 0.00 C ATOM 600 O VAL A 40 7.213 4.737 6.263 1.00 0.00 O ATOM 601 CB VAL A 40 7.957 7.503 4.869 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.402 8.404 3.716 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.668 8.037 5.445 1.00 0.00 C ATOM 0 H VAL A 40 5.663 6.229 4.721 1.00 0.00 H new ATOM 0 HA VAL A 40 8.405 5.940 3.501 1.00 0.00 H new ATOM 0 HB VAL A 40 8.723 7.486 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.563 9.416 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.330 8.021 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.630 8.418 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.829 9.047 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.903 8.056 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.340 7.394 6.262 1.00 0.00 H new ATOM 613 N PHE A 41 9.210 4.432 5.286 1.00 0.00 N ATOM 614 CA PHE A 41 9.651 3.344 6.181 1.00 0.00 C ATOM 615 C PHE A 41 11.183 3.306 6.159 1.00 0.00 C ATOM 616 O PHE A 41 11.792 3.166 5.110 1.00 0.00 O ATOM 617 CB PHE A 41 9.126 2.037 5.549 1.00 0.00 C ATOM 618 CG PHE A 41 9.226 2.111 4.034 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.439 1.810 3.391 1.00 0.00 C ATOM 620 CD2 PHE A 41 8.104 2.465 3.272 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.528 1.867 1.994 1.00 0.00 C ATOM 622 CE2 PHE A 41 8.195 2.517 1.876 1.00 0.00 C ATOM 623 CZ PHE A 41 9.405 2.220 1.237 1.00 0.00 C ATOM 0 H PHE A 41 9.895 4.678 4.571 1.00 0.00 H new ATOM 0 HA PHE A 41 9.293 3.477 7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.702 1.189 5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.090 1.872 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.304 1.534 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.170 2.698 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.462 1.639 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.329 2.787 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.472 2.263 0.160 1.00 0.00 H new ATOM 633 N GLU A 42 11.820 3.426 7.272 1.00 0.00 N ATOM 634 CA GLU A 42 13.312 3.347 7.273 1.00 0.00 C ATOM 635 C GLU A 42 13.718 1.934 6.925 1.00 0.00 C ATOM 636 O GLU A 42 13.006 0.971 7.135 1.00 0.00 O ATOM 637 CB GLU A 42 13.799 3.663 8.669 1.00 0.00 C ATOM 638 CG GLU A 42 15.240 4.160 8.552 1.00 0.00 C ATOM 639 CD GLU A 42 15.671 4.825 9.861 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.254 5.946 10.101 1.00 0.00 O ATOM 641 OE2 GLU A 42 16.417 4.202 10.600 1.00 0.00 O ATOM 0 H GLU A 42 11.387 3.575 8.183 1.00 0.00 H new ATOM 0 HA GLU A 42 13.736 4.047 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.168 4.422 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.749 2.777 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.904 3.326 8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.323 4.870 7.729 1.00 0.00 H new ATOM 648 N ALA A 43 14.870 1.838 6.411 1.00 0.00 N ATOM 649 CA ALA A 43 15.449 0.515 6.019 1.00 0.00 C ATOM 650 C ALA A 43 16.216 -0.046 7.189 1.00 0.00 C ATOM 651 O ALA A 43 17.029 0.631 7.788 1.00 0.00 O ATOM 652 CB ALA A 43 16.397 0.823 4.851 1.00 0.00 C ATOM 0 H ALA A 43 15.480 2.635 6.228 1.00 0.00 H new ATOM 0 HA ALA A 43 14.691 -0.215 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.862 -0.101 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.833 1.272 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.170 1.517 5.183 1.00 0.00 H new ATOM 658 N ASN A 44 15.988 -1.284 7.520 1.00 0.00 N ATOM 659 CA ASN A 44 16.739 -1.841 8.641 1.00 0.00 C ATOM 660 C ASN A 44 17.681 -2.918 8.255 1.00 0.00 C ATOM 661 O ASN A 44 17.837 -3.966 8.850 1.00 0.00 O ATOM 662 CB ASN A 44 15.827 -2.177 9.820 1.00 0.00 C ATOM 663 CG ASN A 44 14.478 -2.796 9.372 1.00 0.00 C ATOM 664 OD1 ASN A 44 13.514 -2.699 10.102 1.00 0.00 O ATOM 665 ND2 ASN A 44 14.341 -3.434 8.223 1.00 0.00 N ATOM 0 H ASN A 44 15.325 -1.912 7.065 1.00 0.00 H new ATOM 0 HA ASN A 44 17.402 -1.053 8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.339 -2.873 10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.634 -1.271 10.395 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.438 -3.833 7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.138 -3.528 7.593 1.00 0.00 H new ATOM 672 N GLN A 45 18.377 -2.518 7.285 1.00 0.00 N ATOM 673 CA GLN A 45 19.480 -3.250 6.709 1.00 0.00 C ATOM 674 C GLN A 45 19.924 -2.689 5.384 1.00 0.00 C ATOM 675 O GLN A 45 19.728 -1.525 5.061 1.00 0.00 O ATOM 676 CB GLN A 45 18.963 -4.616 6.473 1.00 0.00 C ATOM 677 CG GLN A 45 17.590 -4.482 5.843 1.00 0.00 C ATOM 678 CD GLN A 45 16.740 -5.727 6.154 1.00 0.00 C ATOM 679 OE1 GLN A 45 16.602 -6.098 7.303 1.00 0.00 O ATOM 680 NE2 GLN A 45 16.157 -6.394 5.188 1.00 0.00 N ATOM 0 H GLN A 45 18.208 -1.624 6.823 1.00 0.00 H new ATOM 0 HA GLN A 45 20.338 -3.204 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.633 -5.171 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 45 18.902 -5.170 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.093 -3.589 6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.687 -4.359 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.267 -6.091 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.594 -7.216 5.404 1.00 0.00 H new ATOM 689 N ASN A 46 20.573 -3.502 4.636 1.00 0.00 N ATOM 690 CA ASN A 46 21.091 -3.099 3.328 1.00 0.00 C ATOM 691 C ASN A 46 20.312 -3.793 2.264 1.00 0.00 C ATOM 692 O ASN A 46 19.710 -4.830 2.463 1.00 0.00 O ATOM 693 CB ASN A 46 22.467 -3.623 3.354 1.00 0.00 C ATOM 694 CG ASN A 46 23.190 -3.294 2.046 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.612 -4.183 1.332 1.00 0.00 O ATOM 696 ND2 ASN A 46 23.352 -2.046 1.699 1.00 0.00 N ATOM 0 H ASN A 46 20.774 -4.470 4.888 1.00 0.00 H new ATOM 0 HA ASN A 46 21.035 -2.028 3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.011 -3.193 4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.449 -4.702 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.833 -1.817 0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.998 -1.300 2.298 1.00 0.00 H new ATOM 703 N THR A 47 20.309 -3.210 1.154 1.00 0.00 N ATOM 704 CA THR A 47 19.531 -3.813 0.021 1.00 0.00 C ATOM 705 C THR A 47 19.774 -3.097 -1.298 1.00 0.00 C ATOM 706 O THR A 47 20.104 -1.938 -1.317 1.00 0.00 O ATOM 707 CB THR A 47 18.068 -3.637 0.464 1.00 0.00 C ATOM 708 OG1 THR A 47 17.219 -3.578 -0.674 1.00 0.00 O ATOM 709 CG2 THR A 47 17.884 -2.343 1.274 1.00 0.00 C ATOM 0 H THR A 47 20.799 -2.341 0.942 1.00 0.00 H new ATOM 0 HA THR A 47 19.817 -4.849 -0.163 1.00 0.00 H new ATOM 0 HB THR A 47 17.808 -4.492 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.290 -3.467 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.840 -2.246 1.573 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.514 -2.377 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.167 -1.487 0.661 1.00 0.00 H new ATOM 717 N LYS A 48 19.599 -3.761 -2.411 1.00 0.00 N ATOM 718 CA LYS A 48 19.804 -3.048 -3.720 1.00 0.00 C ATOM 719 C LYS A 48 18.470 -2.893 -4.480 1.00 0.00 C ATOM 720 O LYS A 48 18.459 -2.424 -5.598 1.00 0.00 O ATOM 721 CB LYS A 48 20.761 -3.902 -4.529 1.00 0.00 C ATOM 722 CG LYS A 48 22.027 -4.167 -3.715 1.00 0.00 C ATOM 723 CD LYS A 48 22.372 -5.657 -3.762 1.00 0.00 C ATOM 724 CE LYS A 48 23.181 -5.950 -5.029 1.00 0.00 C ATOM 725 NZ LYS A 48 23.751 -7.310 -4.818 1.00 0.00 N ATOM 0 H LYS A 48 19.330 -4.742 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 48 20.199 -2.046 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.285 -4.845 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.015 -3.397 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.855 -3.580 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.879 -3.851 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.945 -5.937 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.460 -6.254 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.549 -5.921 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.968 -5.210 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.319 -7.581 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.354 -7.306 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.978 -7.994 -4.690 1.00 0.00 H new ATOM 739 N THR A 49 17.340 -3.263 -3.897 1.00 0.00 N ATOM 740 CA THR A 49 16.047 -3.101 -4.614 1.00 0.00 C ATOM 741 C THR A 49 14.872 -3.307 -3.684 1.00 0.00 C ATOM 742 O THR A 49 14.912 -4.084 -2.752 1.00 0.00 O ATOM 743 CB THR A 49 16.016 -4.111 -5.719 1.00 0.00 C ATOM 744 OG1 THR A 49 16.785 -5.256 -5.376 1.00 0.00 O ATOM 745 CG2 THR A 49 16.571 -3.433 -6.959 1.00 0.00 C ATOM 0 H THR A 49 17.271 -3.666 -2.962 1.00 0.00 H new ATOM 0 HA THR A 49 15.968 -2.088 -5.009 1.00 0.00 H new ATOM 0 HB THR A 49 14.998 -4.457 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.751 -5.905 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.566 -4.137 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.953 -2.571 -7.209 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.592 -3.104 -6.768 1.00 0.00 H new ATOM 753 N ALA A 50 13.820 -2.611 -3.953 1.00 0.00 N ATOM 754 CA ALA A 50 12.598 -2.745 -3.105 1.00 0.00 C ATOM 755 C ALA A 50 11.352 -2.763 -3.969 1.00 0.00 C ATOM 756 O ALA A 50 10.816 -1.751 -4.369 1.00 0.00 O ATOM 757 CB ALA A 50 12.591 -1.543 -2.153 1.00 0.00 C ATOM 0 H ALA A 50 13.742 -1.949 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 50 12.607 -3.680 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.713 -1.594 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.492 -1.559 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.562 -0.620 -2.732 1.00 0.00 H new ATOM 763 N LYS A 51 10.899 -3.940 -4.213 1.00 0.00 N ATOM 764 CA LYS A 51 9.650 -4.149 -5.027 1.00 0.00 C ATOM 765 C LYS A 51 8.424 -3.667 -4.245 1.00 0.00 C ATOM 766 O LYS A 51 8.515 -3.251 -3.100 1.00 0.00 O ATOM 767 CB LYS A 51 9.515 -5.663 -5.296 1.00 0.00 C ATOM 768 CG LYS A 51 10.888 -6.344 -5.359 1.00 0.00 C ATOM 769 CD LYS A 51 10.713 -7.779 -5.862 1.00 0.00 C ATOM 770 CE LYS A 51 11.604 -8.013 -7.083 1.00 0.00 C ATOM 771 NZ LYS A 51 11.961 -9.457 -7.021 1.00 0.00 N ATOM 0 H LYS A 51 11.338 -4.800 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 51 9.712 -3.588 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.915 -6.122 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.985 -5.822 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.552 -5.791 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.353 -6.345 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.970 -8.485 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.670 -7.958 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.079 -7.775 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.493 -7.384 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.573 -9.698 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.465 -9.652 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.095 -10.031 -7.060 1.00 0.00 H new ATOM 785 N ILE A 52 7.277 -3.800 -4.842 1.00 0.00 N ATOM 786 CA ILE A 52 5.992 -3.388 -4.166 1.00 0.00 C ATOM 787 C ILE A 52 4.872 -4.383 -4.494 1.00 0.00 C ATOM 788 O ILE A 52 4.723 -4.794 -5.627 1.00 0.00 O ATOM 789 CB ILE A 52 5.589 -2.001 -4.717 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.730 -1.049 -4.555 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.409 -1.465 -3.902 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.256 0.357 -4.971 1.00 0.00 C ATOM 0 H ILE A 52 7.160 -4.180 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 52 6.140 -3.362 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 52 5.322 -2.096 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.074 -1.042 -3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.574 -1.361 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.118 -0.486 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.567 -2.152 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.701 -1.374 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.077 1.066 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.932 0.339 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.424 0.663 -4.337 1.00 0.00 H new ATOM 804 N GLU A 53 4.072 -4.776 -3.530 1.00 0.00 N ATOM 805 CA GLU A 53 2.986 -5.726 -3.842 1.00 0.00 C ATOM 806 C GLU A 53 1.736 -5.420 -3.065 1.00 0.00 C ATOM 807 O GLU A 53 1.650 -5.554 -1.854 1.00 0.00 O ATOM 808 CB GLU A 53 3.532 -7.093 -3.509 1.00 0.00 C ATOM 809 CG GLU A 53 2.407 -8.130 -3.565 1.00 0.00 C ATOM 810 CD GLU A 53 2.083 -8.454 -5.025 1.00 0.00 C ATOM 811 OE1 GLU A 53 1.345 -7.695 -5.629 1.00 0.00 O ATOM 812 OE2 GLU A 53 2.579 -9.457 -5.512 1.00 0.00 O ATOM 0 H GLU A 53 4.132 -4.478 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 53 2.692 -5.661 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.321 -7.361 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.981 -7.083 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.707 -9.036 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.520 -7.747 -3.061 1.00 0.00 H new ATOM 819 N ILE A 54 0.767 -5.033 -3.814 1.00 0.00 N ATOM 820 CA ILE A 54 -0.582 -4.710 -3.269 1.00 0.00 C ATOM 821 C ILE A 54 -1.421 -5.971 -3.249 1.00 0.00 C ATOM 822 O ILE A 54 -1.608 -6.637 -4.248 1.00 0.00 O ATOM 823 CB ILE A 54 -1.179 -3.740 -4.259 1.00 0.00 C ATOM 824 CG1 ILE A 54 -2.605 -3.484 -3.819 1.00 0.00 C ATOM 825 CG2 ILE A 54 -1.165 -4.353 -5.668 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.810 -1.987 -3.595 1.00 0.00 C ATOM 0 H ILE A 54 0.846 -4.919 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.538 -4.303 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.608 -2.812 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.301 -3.848 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.817 -4.032 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.598 -3.647 -6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.138 -4.575 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.750 -5.273 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.837 -1.804 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.124 -1.637 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.615 -1.450 -4.523 1.00 0.00 H new ATOM 838 N LYS A 55 -1.960 -6.261 -2.127 1.00 0.00 N ATOM 839 CA LYS A 55 -2.853 -7.452 -2.001 1.00 0.00 C ATOM 840 C LYS A 55 -4.207 -6.915 -1.556 1.00 0.00 C ATOM 841 O LYS A 55 -4.412 -6.614 -0.397 1.00 0.00 O ATOM 842 CB LYS A 55 -2.217 -8.394 -0.949 1.00 0.00 C ATOM 843 CG LYS A 55 -3.308 -9.183 -0.210 1.00 0.00 C ATOM 844 CD LYS A 55 -2.672 -10.379 0.506 1.00 0.00 C ATOM 845 CE LYS A 55 -3.742 -11.134 1.296 1.00 0.00 C ATOM 846 NZ LYS A 55 -3.063 -12.369 1.781 1.00 0.00 N ATOM 0 H LYS A 55 -1.830 -5.727 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.977 -8.016 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.528 -9.083 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.633 -7.812 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.813 -8.540 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.065 -9.527 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.205 -11.044 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.884 -10.037 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.114 -10.536 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.599 -11.376 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.734 -12.940 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.725 -12.922 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.255 -12.108 2.382 1.00 0.00 H new ATOM 860 N ALA A 56 -5.115 -6.721 -2.474 1.00 0.00 N ATOM 861 CA ALA A 56 -6.412 -6.120 -2.089 1.00 0.00 C ATOM 862 C ALA A 56 -7.545 -7.125 -2.172 1.00 0.00 C ATOM 863 O ALA A 56 -7.769 -7.756 -3.185 1.00 0.00 O ATOM 864 CB ALA A 56 -6.602 -5.002 -3.108 1.00 0.00 C ATOM 0 H ALA A 56 -5.012 -6.952 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.417 -5.768 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.542 -4.487 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.777 -4.294 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.623 -5.425 -4.112 1.00 0.00 H new ATOM 870 N SER A 57 -8.280 -7.250 -1.108 1.00 0.00 N ATOM 871 CA SER A 57 -9.435 -8.195 -1.118 1.00 0.00 C ATOM 872 C SER A 57 -10.712 -7.365 -1.186 1.00 0.00 C ATOM 873 O SER A 57 -11.108 -6.777 -0.216 1.00 0.00 O ATOM 874 CB SER A 57 -9.331 -8.985 0.202 1.00 0.00 C ATOM 875 OG SER A 57 -10.150 -8.369 1.185 1.00 0.00 O ATOM 0 H SER A 57 -8.136 -6.744 -0.234 1.00 0.00 H new ATOM 0 HA SER A 57 -9.439 -8.883 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.644 -10.017 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.296 -9.014 0.541 1.00 0.00 H new ATOM 0 HG SER A 57 -10.260 -7.419 0.971 1.00 0.00 H new ATOM 881 N ILE A 58 -11.334 -7.276 -2.336 1.00 0.00 N ATOM 882 CA ILE A 58 -12.580 -6.419 -2.455 1.00 0.00 C ATOM 883 C ILE A 58 -13.808 -7.305 -2.750 1.00 0.00 C ATOM 884 O ILE A 58 -14.127 -7.659 -3.867 1.00 0.00 O ATOM 885 CB ILE A 58 -12.276 -5.386 -3.593 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.716 -5.946 -4.960 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.779 -5.070 -3.611 1.00 0.00 C ATOM 888 CD1 ILE A 58 -11.963 -5.241 -6.094 1.00 0.00 C ATOM 0 H ILE A 58 -11.047 -7.748 -3.193 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.821 -5.891 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.835 -4.471 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.525 -7.018 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.790 -5.809 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.568 -4.351 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.485 -4.648 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.216 -5.986 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.285 -5.648 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.176 -4.173 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.892 -5.401 -5.974 1.00 0.00 H new ATOM 900 N ASP A 59 -14.488 -7.645 -1.702 1.00 0.00 N ATOM 901 CA ASP A 59 -15.742 -8.505 -1.782 1.00 0.00 C ATOM 902 C ASP A 59 -15.668 -9.602 -2.857 1.00 0.00 C ATOM 903 O ASP A 59 -16.405 -9.589 -3.823 1.00 0.00 O ATOM 904 CB ASP A 59 -16.921 -7.558 -2.093 1.00 0.00 C ATOM 905 CG ASP A 59 -16.488 -6.087 -2.029 1.00 0.00 C ATOM 906 OD1 ASP A 59 -15.986 -5.594 -3.025 1.00 0.00 O ATOM 907 OD2 ASP A 59 -16.667 -5.482 -0.985 1.00 0.00 O ATOM 0 H ASP A 59 -14.237 -7.365 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.863 -9.026 -0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.316 -7.780 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.728 -7.733 -1.381 1.00 0.00 H new ATOM 912 N GLY A 60 -14.838 -10.588 -2.655 1.00 0.00 N ATOM 913 CA GLY A 60 -14.767 -11.729 -3.607 1.00 0.00 C ATOM 914 C GLY A 60 -13.831 -11.438 -4.772 1.00 0.00 C ATOM 915 O GLY A 60 -13.361 -12.338 -5.439 1.00 0.00 O ATOM 0 H GLY A 60 -14.200 -10.651 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.426 -12.620 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.765 -11.947 -3.988 1.00 0.00 H new ATOM 919 N LEU A 61 -13.582 -10.201 -5.049 1.00 0.00 N ATOM 920 CA LEU A 61 -12.726 -9.861 -6.178 1.00 0.00 C ATOM 921 C LEU A 61 -11.367 -9.341 -5.724 1.00 0.00 C ATOM 922 O LEU A 61 -10.968 -8.240 -6.045 1.00 0.00 O ATOM 923 CB LEU A 61 -13.499 -8.792 -6.822 1.00 0.00 C ATOM 924 CG LEU A 61 -13.263 -8.896 -8.319 1.00 0.00 C ATOM 925 CD1 LEU A 61 -14.567 -8.639 -9.073 1.00 0.00 C ATOM 926 CD2 LEU A 61 -12.208 -7.874 -8.747 1.00 0.00 C ATOM 0 H LEU A 61 -13.946 -9.404 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.500 -10.711 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.560 -8.895 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.186 -7.816 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.909 -9.900 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.388 -8.716 -10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.311 -9.378 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.933 -7.640 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.041 -7.951 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.555 -6.870 -8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.275 -8.072 -8.220 1.00 0.00 H new ATOM 938 N GLU A 62 -10.658 -10.127 -4.967 1.00 0.00 N ATOM 939 CA GLU A 62 -9.365 -9.752 -4.465 1.00 0.00 C ATOM 940 C GLU A 62 -8.348 -9.660 -5.595 1.00 0.00 C ATOM 941 O GLU A 62 -7.987 -10.638 -6.218 1.00 0.00 O ATOM 942 CB GLU A 62 -9.182 -10.940 -3.535 1.00 0.00 C ATOM 943 CG GLU A 62 -7.934 -11.741 -3.881 1.00 0.00 C ATOM 944 CD GLU A 62 -7.380 -12.407 -2.620 1.00 0.00 C ATOM 945 OE1 GLU A 62 -8.103 -13.183 -2.018 1.00 0.00 O ATOM 946 OE2 GLU A 62 -6.244 -12.126 -2.278 1.00 0.00 O ATOM 0 H GLU A 62 -10.963 -11.056 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.254 -8.778 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.115 -10.589 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.057 -11.587 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.172 -12.498 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.180 -11.086 -4.319 1.00 0.00 H new ATOM 953 N VAL A 63 -7.885 -8.477 -5.846 1.00 0.00 N ATOM 954 CA VAL A 63 -6.885 -8.286 -6.922 1.00 0.00 C ATOM 955 C VAL A 63 -5.510 -8.688 -6.454 1.00 0.00 C ATOM 956 O VAL A 63 -5.157 -8.587 -5.296 1.00 0.00 O ATOM 957 CB VAL A 63 -6.893 -6.820 -7.268 1.00 0.00 C ATOM 958 CG1 VAL A 63 -8.329 -6.377 -7.542 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.311 -6.022 -6.101 1.00 0.00 C ATOM 0 H VAL A 63 -8.157 -7.628 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.133 -8.904 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.288 -6.644 -8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.341 -5.316 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.734 -6.952 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.938 -6.546 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.315 -4.960 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.915 -6.189 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.288 -6.347 -5.913 1.00 0.00 H new ATOM 969 N ASP A 64 -4.770 -9.214 -7.356 1.00 0.00 N ATOM 970 CA ASP A 64 -3.444 -9.732 -7.048 1.00 0.00 C ATOM 971 C ASP A 64 -2.455 -9.352 -8.122 1.00 0.00 C ATOM 972 O ASP A 64 -1.825 -10.173 -8.758 1.00 0.00 O ATOM 973 CB ASP A 64 -3.789 -11.153 -7.177 1.00 0.00 C ATOM 974 CG ASP A 64 -2.795 -12.040 -6.426 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.825 -12.028 -5.206 1.00 0.00 O ATOM 976 OD2 ASP A 64 -2.023 -12.718 -7.082 1.00 0.00 O ATOM 0 H ASP A 64 -5.044 -9.309 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.992 -9.399 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.794 -11.321 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.803 -11.431 -8.231 1.00 0.00 H new ATOM 981 N VAL A 65 -2.327 -8.100 -8.297 1.00 0.00 N ATOM 982 CA VAL A 65 -1.374 -7.555 -9.321 1.00 0.00 C ATOM 983 C VAL A 65 -0.994 -6.117 -8.958 1.00 0.00 C ATOM 984 O VAL A 65 -1.775 -5.413 -8.349 1.00 0.00 O ATOM 985 CB VAL A 65 -2.114 -7.575 -10.677 1.00 0.00 C ATOM 986 CG1 VAL A 65 -1.096 -7.727 -11.809 1.00 0.00 C ATOM 987 CG2 VAL A 65 -3.105 -8.745 -10.745 1.00 0.00 C ATOM 0 H VAL A 65 -2.843 -7.392 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.461 -8.149 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.664 -6.639 -10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.616 -7.741 -12.767 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.399 -6.889 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.546 -8.659 -11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.613 -8.736 -11.710 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.566 -9.685 -10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.841 -8.646 -9.947 1.00 0.00 H new ATOM 997 N PRO A 66 0.197 -5.719 -9.336 1.00 0.00 N ATOM 998 CA PRO A 66 0.665 -4.357 -9.032 1.00 0.00 C ATOM 999 C PRO A 66 0.267 -3.378 -10.101 1.00 0.00 C ATOM 1000 O PRO A 66 0.276 -3.635 -11.288 1.00 0.00 O ATOM 1001 CB PRO A 66 2.173 -4.499 -8.971 1.00 0.00 C ATOM 1002 CG PRO A 66 2.501 -5.702 -9.814 1.00 0.00 C ATOM 1003 CD PRO A 66 1.221 -6.476 -10.065 1.00 0.00 C ATOM 0 HA PRO A 66 0.232 -3.970 -8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.667 -3.606 -9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.513 -4.635 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.948 -5.392 -10.759 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.232 -6.332 -9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.992 -6.534 -11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.296 -7.500 -9.699 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.073 -2.250 -9.625 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.500 -1.121 -10.513 1.00 0.00 C ATOM 1013 C GLY A 67 0.568 -0.018 -10.482 1.00 0.00 C ATOM 1014 O GLY A 67 0.272 1.129 -10.232 1.00 0.00 O ATOM 0 H GLY A 67 -0.082 -2.030 -8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.640 -1.479 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.459 -0.724 -10.180 1.00 0.00 H new ATOM 1018 N ILE A 68 1.824 -0.343 -10.687 1.00 0.00 N ATOM 1019 CA ILE A 68 2.865 0.703 -10.619 1.00 0.00 C ATOM 1020 C ILE A 68 4.243 0.090 -10.907 1.00 0.00 C ATOM 1021 O ILE A 68 4.349 -1.042 -11.333 1.00 0.00 O ATOM 1022 CB ILE A 68 2.756 1.152 -9.171 1.00 0.00 C ATOM 1023 CG1 ILE A 68 3.015 2.632 -9.078 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.729 0.383 -8.281 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.780 3.391 -9.559 1.00 0.00 C ATOM 0 H ILE A 68 2.160 -1.283 -10.896 1.00 0.00 H new ATOM 0 HA ILE A 68 2.744 1.514 -11.337 1.00 0.00 H new ATOM 0 HB ILE A 68 1.746 0.941 -8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.248 2.908 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.880 2.900 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.628 0.726 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.505 -0.682 -8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.749 0.556 -8.623 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.963 4.463 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.568 3.122 -10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.926 3.130 -8.934 1.00 0.00 H new ATOM 1037 N ASP A 69 5.294 0.796 -10.592 1.00 0.00 N ATOM 1038 CA ASP A 69 6.661 0.203 -10.755 1.00 0.00 C ATOM 1039 C ASP A 69 7.266 0.061 -9.378 1.00 0.00 C ATOM 1040 O ASP A 69 8.018 0.890 -8.906 1.00 0.00 O ATOM 1041 CB ASP A 69 7.510 1.085 -11.629 1.00 0.00 C ATOM 1042 CG ASP A 69 8.767 0.315 -12.036 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.616 0.109 -11.182 1.00 0.00 O ATOM 1044 OD2 ASP A 69 8.859 -0.062 -13.192 1.00 0.00 O ATOM 0 H ASP A 69 5.271 1.750 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 69 6.603 -0.773 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.951 1.389 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.782 1.996 -11.095 1.00 0.00 H new ATOM 1049 N PRO A 70 6.904 -1.040 -8.814 1.00 0.00 N ATOM 1050 CA PRO A 70 7.357 -1.483 -7.467 1.00 0.00 C ATOM 1051 C PRO A 70 8.864 -1.384 -7.205 1.00 0.00 C ATOM 1052 O PRO A 70 9.312 -1.634 -6.108 1.00 0.00 O ATOM 1053 CB PRO A 70 6.934 -2.941 -7.481 1.00 0.00 C ATOM 1054 CG PRO A 70 6.757 -3.227 -8.951 1.00 0.00 C ATOM 1055 CD PRO A 70 6.024 -2.049 -9.385 1.00 0.00 C ATOM 0 HA PRO A 70 6.935 -0.853 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.690 -3.585 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.010 -3.099 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.711 -3.330 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.198 -4.146 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.940 -1.976 -10.469 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.011 -2.006 -8.984 1.00 0.00 H new ATOM 1063 N ASN A 71 9.657 -1.036 -8.155 1.00 0.00 N ATOM 1064 CA ASN A 71 11.108 -0.961 -7.872 1.00 0.00 C ATOM 1065 C ASN A 71 11.535 0.506 -7.869 1.00 0.00 C ATOM 1066 O ASN A 71 11.864 1.069 -8.894 1.00 0.00 O ATOM 1067 CB ASN A 71 11.820 -1.754 -8.990 1.00 0.00 C ATOM 1068 CG ASN A 71 10.864 -2.084 -10.152 1.00 0.00 C ATOM 1069 OD1 ASN A 71 11.094 -1.686 -11.276 1.00 0.00 O ATOM 1070 ND2 ASN A 71 9.795 -2.804 -9.927 1.00 0.00 N ATOM 0 H ASN A 71 9.376 -0.801 -9.107 1.00 0.00 H new ATOM 0 HA ASN A 71 11.363 -1.383 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.664 -1.175 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.226 -2.678 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.160 -3.028 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.596 -3.141 -8.985 1.00 0.00 H new ATOM 1077 N ALA A 72 11.536 1.130 -6.719 1.00 0.00 N ATOM 1078 CA ALA A 72 11.943 2.557 -6.646 1.00 0.00 C ATOM 1079 C ALA A 72 13.463 2.648 -6.700 1.00 0.00 C ATOM 1080 O ALA A 72 14.035 3.687 -6.434 1.00 0.00 O ATOM 1081 CB ALA A 72 11.426 3.068 -5.299 1.00 0.00 C ATOM 0 H ALA A 72 11.271 0.709 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 72 11.543 3.145 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.693 4.118 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.342 2.963 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.874 2.487 -4.493 1.00 0.00 H new ATOM 1087 N CYS A 73 14.137 1.576 -7.038 1.00 0.00 N ATOM 1088 CA CYS A 73 15.596 1.637 -7.086 1.00 0.00 C ATOM 1089 C CYS A 73 16.006 2.356 -8.348 1.00 0.00 C ATOM 1090 O CYS A 73 17.038 2.995 -8.412 1.00 0.00 O ATOM 1091 CB CYS A 73 15.989 0.183 -7.088 1.00 0.00 C ATOM 1092 SG CYS A 73 17.730 -0.009 -7.544 1.00 0.00 S ATOM 0 H CYS A 73 13.726 0.674 -7.278 1.00 0.00 H new ATOM 0 HA CYS A 73 16.070 2.177 -6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.817 -0.247 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.362 -0.367 -7.789 1.00 0.00 H new ATOM 1097 N HIS A 74 15.167 2.324 -9.334 1.00 0.00 N ATOM 1098 CA HIS A 74 15.482 3.078 -10.546 1.00 0.00 C ATOM 1099 C HIS A 74 15.159 4.554 -10.299 1.00 0.00 C ATOM 1100 O HIS A 74 15.308 5.391 -11.169 1.00 0.00 O ATOM 1101 CB HIS A 74 14.676 2.536 -11.721 1.00 0.00 C ATOM 1102 CG HIS A 74 14.303 1.108 -11.496 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.199 0.232 -10.947 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.172 0.383 -11.769 1.00 0.00 C ATOM 1105 CE1 HIS A 74 14.613 -0.978 -10.901 1.00 0.00 C ATOM 1106 NE2 HIS A 74 13.373 -0.942 -11.392 1.00 0.00 N ATOM 0 H HIS A 74 14.286 1.810 -9.346 1.00 0.00 H new ATOM 0 HA HIS A 74 16.540 2.975 -10.789 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.775 3.135 -11.856 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.258 2.624 -12.638 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.267 0.778 -12.208 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.087 -1.868 -10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.715 -1.717 -11.473 1.00 0.00 H new ATOM 1114 N TYR A 75 14.763 4.887 -9.090 1.00 0.00 N ATOM 1115 CA TYR A 75 14.482 6.280 -8.744 1.00 0.00 C ATOM 1116 C TYR A 75 15.111 6.600 -7.386 1.00 0.00 C ATOM 1117 O TYR A 75 14.914 7.672 -6.848 1.00 0.00 O ATOM 1118 CB TYR A 75 12.956 6.549 -8.725 1.00 0.00 C ATOM 1119 CG TYR A 75 12.116 5.413 -9.334 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.396 4.920 -10.623 1.00 0.00 C ATOM 1121 CD2 TYR A 75 11.011 4.887 -8.630 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.594 3.923 -11.191 1.00 0.00 C ATOM 1123 CE2 TYR A 75 10.220 3.882 -9.209 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.514 3.410 -10.485 1.00 0.00 C ATOM 1125 OH TYR A 75 9.736 2.432 -11.047 1.00 0.00 O ATOM 0 H TYR A 75 14.626 4.223 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 75 14.918 6.931 -9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.638 6.711 -7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.752 7.471 -9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.235 5.314 -11.177 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.774 5.259 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.816 3.552 -12.181 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.382 3.474 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 75 9.933 1.572 -10.621 1.00 0.00 H new ATOM 1135 N MET A 76 15.892 5.699 -6.825 1.00 0.00 N ATOM 1136 CA MET A 76 16.521 6.010 -5.535 1.00 0.00 C ATOM 1137 C MET A 76 17.874 5.351 -5.375 1.00 0.00 C ATOM 1138 O MET A 76 18.072 4.162 -5.537 1.00 0.00 O ATOM 1139 CB MET A 76 15.563 5.609 -4.427 1.00 0.00 C ATOM 1140 CG MET A 76 15.719 4.173 -4.234 1.00 0.00 C ATOM 1141 SD MET A 76 14.166 3.369 -3.748 1.00 0.00 S ATOM 1142 CE MET A 76 13.438 4.749 -2.836 1.00 0.00 C ATOM 0 H MET A 76 16.107 4.780 -7.213 1.00 0.00 H new ATOM 0 HA MET A 76 16.715 7.081 -5.484 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.788 6.149 -3.507 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.536 5.853 -4.697 1.00 0.00 H new ATOM 0 HG2 MET A 76 16.085 3.723 -5.157 1.00 0.00 H new ATOM 0 HG3 MET A 76 16.474 3.992 -3.469 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.665 4.374 -2.166 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.212 5.249 -2.254 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.998 5.457 -3.538 1.00 0.00 H new ATOM 1152 N LYS A 77 18.796 6.191 -5.089 1.00 0.00 N ATOM 1153 CA LYS A 77 20.199 5.812 -4.917 1.00 0.00 C ATOM 1154 C LYS A 77 20.329 4.433 -4.355 1.00 0.00 C ATOM 1155 O LYS A 77 20.344 4.178 -3.170 1.00 0.00 O ATOM 1156 CB LYS A 77 20.850 6.870 -4.024 1.00 0.00 C ATOM 1157 CG LYS A 77 19.997 7.091 -2.774 1.00 0.00 C ATOM 1158 CD LYS A 77 20.651 6.392 -1.584 1.00 0.00 C ATOM 1159 CE LYS A 77 21.504 7.396 -0.805 1.00 0.00 C ATOM 1160 NZ LYS A 77 20.530 8.269 -0.087 1.00 0.00 N ATOM 0 H LYS A 77 18.622 7.188 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 77 20.709 5.780 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.853 6.551 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.957 7.806 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.896 8.158 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 77 18.992 6.700 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.886 5.967 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.270 5.565 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.167 6.888 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.135 7.980 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.670 9.258 -0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.561 7.973 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 20.679 8.185 0.939 1.00 0.00 H new ATOM 1174 N CYS A 78 20.423 3.568 -5.272 1.00 0.00 N ATOM 1175 CA CYS A 78 20.562 2.135 -5.016 1.00 0.00 C ATOM 1176 C CYS A 78 22.054 1.754 -4.959 1.00 0.00 C ATOM 1177 O CYS A 78 22.836 2.290 -5.718 1.00 0.00 O ATOM 1178 CB CYS A 78 19.916 1.579 -6.242 1.00 0.00 C ATOM 1179 SG CYS A 78 18.745 0.272 -5.820 1.00 0.00 S ATOM 0 H CYS A 78 20.409 3.805 -6.264 1.00 0.00 H new ATOM 0 HA CYS A 78 20.131 1.783 -4.079 1.00 0.00 H new ATOM 0 HB2 CYS A 78 19.400 2.375 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.679 1.185 -6.913 1.00 0.00 H new ATOM 1184 N PRO A 79 22.425 0.852 -4.078 1.00 0.00 N ATOM 1185 CA PRO A 79 21.481 0.194 -3.150 1.00 0.00 C ATOM 1186 C PRO A 79 21.201 1.055 -1.917 1.00 0.00 C ATOM 1187 O PRO A 79 21.874 2.026 -1.635 1.00 0.00 O ATOM 1188 CB PRO A 79 22.208 -1.082 -2.745 1.00 0.00 C ATOM 1189 CG PRO A 79 23.638 -0.843 -2.980 1.00 0.00 C ATOM 1190 CD PRO A 79 23.791 0.368 -3.871 1.00 0.00 C ATOM 0 HA PRO A 79 20.510 0.017 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.022 -1.318 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.856 -1.931 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.154 -0.682 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.094 -1.715 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.414 1.129 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.266 0.106 -4.817 1.00 0.00 H new ATOM 1198 N LEU A 80 20.190 0.681 -1.202 1.00 0.00 N ATOM 1199 CA LEU A 80 19.770 1.405 0.024 1.00 0.00 C ATOM 1200 C LEU A 80 20.403 0.791 1.280 1.00 0.00 C ATOM 1201 O LEU A 80 20.378 -0.417 1.496 1.00 0.00 O ATOM 1202 CB LEU A 80 18.250 1.238 0.008 1.00 0.00 C ATOM 1203 CG LEU A 80 17.644 2.140 -1.075 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.669 2.511 -2.170 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.479 1.410 -1.735 1.00 0.00 C ATOM 0 H LEU A 80 19.612 -0.130 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 80 20.083 2.449 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.991 0.197 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.836 1.495 0.983 1.00 0.00 H new ATOM 0 HG LEU A 80 17.316 3.060 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.192 3.150 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.507 3.042 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.032 1.603 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.042 2.044 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.838 0.485 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.723 1.178 -0.985 1.00 0.00 H new ATOM 1217 N VAL A 81 20.998 1.636 2.088 1.00 0.00 N ATOM 1218 CA VAL A 81 21.668 1.197 3.320 1.00 0.00 C ATOM 1219 C VAL A 81 20.878 1.543 4.573 1.00 0.00 C ATOM 1220 O VAL A 81 20.202 2.541 4.701 1.00 0.00 O ATOM 1221 CB VAL A 81 23.030 1.865 3.343 1.00 0.00 C ATOM 1222 CG1 VAL A 81 24.012 0.972 4.101 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.544 2.091 1.917 1.00 0.00 C ATOM 0 H VAL A 81 21.040 2.642 1.925 1.00 0.00 H new ATOM 0 HA VAL A 81 21.755 0.110 3.319 1.00 0.00 H new ATOM 0 HB VAL A 81 22.942 2.832 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 81 24.993 1.446 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.658 0.826 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.086 0.006 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.522 2.571 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.630 1.133 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.847 2.730 1.376 1.00 0.00 H new ATOM 1233 N LYS A 82 20.946 0.614 5.440 1.00 0.00 N ATOM 1234 CA LYS A 82 20.222 0.602 6.748 1.00 0.00 C ATOM 1235 C LYS A 82 20.233 1.903 7.523 1.00 0.00 C ATOM 1236 O LYS A 82 21.246 2.469 7.886 1.00 0.00 O ATOM 1237 CB LYS A 82 20.868 -0.533 7.524 1.00 0.00 C ATOM 1238 CG LYS A 82 20.040 -1.004 8.716 1.00 0.00 C ATOM 1239 CD LYS A 82 20.763 -0.811 9.939 1.00 0.00 C ATOM 1240 CE LYS A 82 20.632 0.626 10.204 1.00 0.00 C ATOM 1241 NZ LYS A 82 21.175 0.857 11.570 1.00 0.00 N ATOM 0 H LYS A 82 21.519 -0.218 5.300 1.00 0.00 H new ATOM 0 HA LYS A 82 19.155 0.462 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.033 -1.375 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.847 -0.210 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.099 -0.454 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.789 -2.058 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.343 -1.407 10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.808 -1.105 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.182 1.208 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.589 0.938 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.104 1.867 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.629 0.302 12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.172 0.564 11.601 1.00 0.00 H new ATOM 1255 N GLY A 83 19.039 2.328 7.771 1.00 0.00 N ATOM 1256 CA GLY A 83 18.745 3.556 8.537 1.00 0.00 C ATOM 1257 C GLY A 83 18.225 4.594 7.589 1.00 0.00 C ATOM 1258 O GLY A 83 17.677 5.610 7.968 1.00 0.00 O ATOM 0 H GLY A 83 18.202 1.841 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.009 3.351 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.645 3.916 9.036 1.00 0.00 H new ATOM 1262 N GLN A 84 18.398 4.329 6.354 1.00 0.00 N ATOM 1263 CA GLN A 84 17.928 5.264 5.342 1.00 0.00 C ATOM 1264 C GLN A 84 16.458 5.151 5.116 1.00 0.00 C ATOM 1265 O GLN A 84 15.901 4.097 4.855 1.00 0.00 O ATOM 1266 CB GLN A 84 18.702 5.055 4.073 1.00 0.00 C ATOM 1267 CG GLN A 84 20.167 5.386 4.326 1.00 0.00 C ATOM 1268 CD GLN A 84 20.865 5.793 3.006 1.00 0.00 C ATOM 1269 OE1 GLN A 84 20.239 5.713 1.841 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 22.012 6.193 3.032 1.00 0.00 N flip ATOM 0 H GLN A 84 18.853 3.490 5.995 1.00 0.00 H new ATOM 0 HA GLN A 84 18.102 6.279 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.602 4.023 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.304 5.689 3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.243 6.197 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.672 4.523 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.508 6.261 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.478 6.461 2.165 1.00 0.00 H new ATOM 1279 N GLN A 85 15.845 6.260 5.221 1.00 0.00 N ATOM 1280 CA GLN A 85 14.369 6.322 5.002 1.00 0.00 C ATOM 1281 C GLN A 85 14.099 5.944 3.562 1.00 0.00 C ATOM 1282 O GLN A 85 14.836 6.287 2.661 1.00 0.00 O ATOM 1283 CB GLN A 85 13.911 7.772 5.301 1.00 0.00 C ATOM 1284 CG GLN A 85 13.988 8.641 4.032 1.00 0.00 C ATOM 1285 CD GLN A 85 14.094 10.128 4.424 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.958 10.510 5.682 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 14.308 10.965 3.570 1.00 0.00 N flip ATOM 0 H GLN A 85 16.287 7.150 5.451 1.00 0.00 H new ATOM 0 HA GLN A 85 13.823 5.638 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.889 7.765 5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.538 8.203 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.851 8.351 3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.104 8.480 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.415 10.683 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.381 11.949 3.827 1.00 0.00 H new ATOM 1296 N TYR A 86 13.052 5.238 3.356 1.00 0.00 N ATOM 1297 CA TYR A 86 12.697 4.802 2.000 1.00 0.00 C ATOM 1298 C TYR A 86 11.200 4.859 1.880 1.00 0.00 C ATOM 1299 O TYR A 86 10.467 4.325 2.690 1.00 0.00 O ATOM 1300 CB TYR A 86 13.208 3.374 1.893 1.00 0.00 C ATOM 1301 CG TYR A 86 14.711 3.447 1.862 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.326 4.393 1.037 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.492 2.603 2.653 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.701 4.499 0.996 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.876 2.709 2.610 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.487 3.656 1.781 1.00 0.00 C ATOM 1307 OH TYR A 86 18.861 3.750 1.735 1.00 0.00 O ATOM 0 H TYR A 86 12.408 4.935 4.086 1.00 0.00 H new ATOM 0 HA TYR A 86 13.124 5.419 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.868 2.778 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.826 2.894 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.720 5.046 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.023 1.872 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.168 5.234 0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.484 2.057 3.220 1.00 0.00 H new ATOM 0 HH TYR A 86 19.121 4.686 1.607 1.00 0.00 H new ATOM 1317 N ASP A 87 10.748 5.539 0.898 1.00 0.00 N ATOM 1318 CA ASP A 87 9.289 5.682 0.720 1.00 0.00 C ATOM 1319 C ASP A 87 8.864 5.068 -0.594 1.00 0.00 C ATOM 1320 O ASP A 87 9.484 5.230 -1.626 1.00 0.00 O ATOM 1321 CB ASP A 87 8.999 7.195 0.749 1.00 0.00 C ATOM 1322 CG ASP A 87 9.809 7.888 -0.347 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.810 7.329 -0.760 1.00 0.00 O ATOM 1324 OD2 ASP A 87 9.412 8.968 -0.755 1.00 0.00 O ATOM 0 H ASP A 87 11.322 6.010 0.199 1.00 0.00 H new ATOM 0 HA ASP A 87 8.732 5.168 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.935 7.375 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.258 7.608 1.724 1.00 0.00 H new ATOM 1329 N ILE A 88 7.795 4.357 -0.526 1.00 0.00 N ATOM 1330 CA ILE A 88 7.248 3.682 -1.724 1.00 0.00 C ATOM 1331 C ILE A 88 5.903 4.310 -2.068 1.00 0.00 C ATOM 1332 O ILE A 88 5.285 4.986 -1.269 1.00 0.00 O ATOM 1333 CB ILE A 88 7.107 2.206 -1.335 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.993 1.347 -2.555 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.880 1.995 -0.441 1.00 0.00 C ATOM 1336 CD1 ILE A 88 8.334 0.659 -2.857 1.00 0.00 C ATOM 0 H ILE A 88 7.259 4.208 0.329 1.00 0.00 H new ATOM 0 HA ILE A 88 7.884 3.781 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 88 8.001 1.920 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.217 0.596 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.689 1.955 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.799 0.941 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.985 2.589 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.982 2.305 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.232 0.039 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.101 1.415 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.621 0.035 -2.011 1.00 0.00 H new ATOM 1348 N LYS A 89 5.482 4.127 -3.276 1.00 0.00 N ATOM 1349 CA LYS A 89 4.208 4.750 -3.727 1.00 0.00 C ATOM 1350 C LYS A 89 3.453 3.867 -4.722 1.00 0.00 C ATOM 1351 O LYS A 89 4.035 3.079 -5.441 1.00 0.00 O ATOM 1352 CB LYS A 89 4.671 6.022 -4.420 1.00 0.00 C ATOM 1353 CG LYS A 89 4.641 7.190 -3.434 1.00 0.00 C ATOM 1354 CD LYS A 89 5.711 8.213 -3.823 1.00 0.00 C ATOM 1355 CE LYS A 89 5.208 9.066 -4.991 1.00 0.00 C ATOM 1356 NZ LYS A 89 6.403 9.279 -5.855 1.00 0.00 N ATOM 0 H LYS A 89 5.964 3.570 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 89 3.520 4.915 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.681 5.888 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.027 6.237 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.657 7.658 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.819 6.829 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.947 8.850 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.632 7.702 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.412 8.559 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.800 10.014 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.138 9.856 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.141 9.770 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.765 8.360 -6.179 1.00 0.00 H new ATOM 1370 N TYR A 90 2.155 4.016 -4.777 1.00 0.00 N ATOM 1371 CA TYR A 90 1.344 3.207 -5.742 1.00 0.00 C ATOM 1372 C TYR A 90 0.076 3.964 -6.149 1.00 0.00 C ATOM 1373 O TYR A 90 -0.887 3.966 -5.398 1.00 0.00 O ATOM 1374 CB TYR A 90 0.950 1.937 -4.988 1.00 0.00 C ATOM 1375 CG TYR A 90 -0.206 1.282 -5.735 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -0.156 1.201 -7.131 1.00 0.00 C ATOM 1377 CD2 TYR A 90 -1.328 0.777 -5.057 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -1.201 0.623 -7.846 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -2.376 0.198 -5.781 1.00 0.00 C ATOM 1380 CZ TYR A 90 -2.311 0.118 -7.173 1.00 0.00 C ATOM 1381 OH TYR A 90 -3.349 -0.451 -7.882 1.00 0.00 O ATOM 0 H TYR A 90 1.620 4.662 -4.197 1.00 0.00 H new ATOM 0 HA TYR A 90 1.910 2.995 -6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.797 1.254 -4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.656 2.177 -3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.702 1.591 -7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.381 0.836 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.151 0.566 -8.923 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.239 -0.189 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.568 -1.325 -7.497 1.00 0.00 H new ATOM 1391 N THR A 91 0.037 4.589 -7.288 1.00 0.00 N ATOM 1392 CA THR A 91 -1.214 5.313 -7.697 1.00 0.00 C ATOM 1393 C THR A 91 -1.677 4.747 -9.035 1.00 0.00 C ATOM 1394 O THR A 91 -0.999 4.839 -10.041 1.00 0.00 O ATOM 1395 CB THR A 91 -0.821 6.793 -7.809 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.854 7.504 -8.477 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.477 6.912 -8.605 1.00 0.00 C ATOM 0 H THR A 91 0.807 4.635 -7.956 1.00 0.00 H new ATOM 0 HA THR A 91 -2.034 5.197 -6.989 1.00 0.00 H new ATOM 0 HB THR A 91 -0.677 7.211 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.607 8.450 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.759 7.962 -8.686 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.268 6.362 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.332 6.497 -9.602 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.811 4.114 -9.026 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.328 3.471 -10.267 1.00 0.00 C ATOM 1407 C TRP A 92 -4.862 3.612 -10.350 1.00 0.00 C ATOM 1408 O TRP A 92 -5.555 3.039 -9.533 1.00 0.00 O ATOM 1409 CB TRP A 92 -2.957 2.025 -10.048 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.679 1.365 -11.358 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.515 1.452 -12.037 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.551 0.515 -12.145 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.633 0.738 -13.220 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -2.872 0.136 -13.327 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -4.859 0.052 -11.952 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.476 -0.676 -14.287 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.472 -0.769 -12.912 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.782 -1.131 -14.080 1.00 0.00 C ATOM 0 H TRP A 92 -3.410 4.012 -8.207 1.00 0.00 H new ATOM 0 HA TRP A 92 -2.929 3.903 -11.185 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.079 1.960 -9.405 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.767 1.507 -9.535 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.636 1.989 -11.712 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.897 0.666 -13.923 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.400 0.328 -11.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.939 -0.951 -15.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.479 -1.124 -12.751 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.259 -1.760 -14.817 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.438 4.356 -11.274 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.927 4.456 -11.261 1.00 0.00 C ATOM 1431 C ASN A 93 -7.559 3.148 -11.801 1.00 0.00 C ATOM 1432 O ASN A 93 -6.932 2.405 -12.527 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.249 5.626 -12.193 1.00 0.00 C ATOM 1434 CG ASN A 93 -7.074 5.189 -13.653 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -7.945 4.375 -14.196 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 -6.134 5.592 -14.308 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.958 4.877 -12.007 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.322 4.608 -10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.271 5.966 -12.025 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.593 6.468 -11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.454 6.226 -13.888 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.024 5.297 -15.278 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.796 2.868 -11.450 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.480 1.625 -11.923 1.00 0.00 C ATOM 1445 C VAL A 94 -11.007 1.868 -11.925 1.00 0.00 C ATOM 1446 O VAL A 94 -11.495 2.914 -11.429 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.071 0.478 -10.953 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -7.778 0.825 -10.211 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -10.175 0.203 -9.924 1.00 0.00 C ATOM 0 H VAL A 94 -9.366 3.460 -10.846 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.191 1.353 -12.938 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.914 -0.414 -11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.513 0.008 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.975 0.977 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.924 1.737 -9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.861 -0.603 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.360 1.104 -9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.090 -0.088 -10.441 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.737 0.907 -12.465 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.185 1.046 -12.593 1.00 0.00 C ATOM 1461 C PRO A 95 -13.764 1.778 -11.417 1.00 0.00 C ATOM 1462 O PRO A 95 -13.198 1.816 -10.338 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.663 -0.392 -12.786 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.503 -1.198 -12.328 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.355 -0.424 -12.902 1.00 0.00 C ATOM 0 HA PRO A 95 -13.514 1.663 -13.429 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.557 -0.602 -12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.911 -0.598 -13.827 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.452 -1.262 -11.241 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.539 -2.220 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.392 -0.739 -12.500 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.291 -0.509 -13.987 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.818 2.479 -11.643 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.307 3.307 -10.566 1.00 0.00 C ATOM 1475 C LYS A 96 -16.133 2.577 -9.510 1.00 0.00 C ATOM 1476 O LYS A 96 -16.248 3.006 -8.381 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.051 4.363 -11.218 1.00 0.00 C ATOM 1478 CG LYS A 96 -14.957 5.275 -11.708 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.206 4.611 -12.845 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.643 5.672 -13.794 1.00 0.00 C ATOM 1481 NZ LYS A 96 -12.752 4.924 -14.725 1.00 0.00 N ATOM 0 H LYS A 96 -15.347 2.508 -12.515 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.471 3.683 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.661 3.984 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.725 4.871 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.383 6.221 -12.044 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.271 5.506 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.395 4.000 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.872 3.942 -13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.441 6.181 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.090 6.436 -13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.328 5.585 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.998 4.456 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.307 4.208 -15.236 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.739 1.500 -9.887 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.599 0.750 -8.935 1.00 0.00 C ATOM 1497 C ILE A 97 -17.544 -0.775 -9.157 1.00 0.00 C ATOM 1498 O ILE A 97 -18.552 -1.453 -9.174 1.00 0.00 O ATOM 1499 CB ILE A 97 -18.967 1.320 -9.155 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.503 1.503 -7.800 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -19.873 0.466 -10.056 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -21.029 1.388 -7.740 1.00 0.00 C ATOM 0 H ILE A 97 -16.678 1.098 -10.823 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.268 0.865 -7.903 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.919 2.256 -9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.062 0.759 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.203 2.482 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.843 0.952 -10.162 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.412 0.358 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -20.007 -0.519 -9.608 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.365 1.532 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.477 2.150 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.333 0.400 -8.086 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.368 -1.327 -9.320 1.00 0.00 N ATOM 1515 CA ALA A 98 -16.258 -2.796 -9.540 1.00 0.00 C ATOM 1516 C ALA A 98 -16.516 -3.575 -8.244 1.00 0.00 C ATOM 1517 O ALA A 98 -17.256 -4.537 -8.254 1.00 0.00 O ATOM 1518 CB ALA A 98 -14.827 -3.041 -10.037 1.00 0.00 C ATOM 0 H ALA A 98 -15.482 -0.822 -9.310 1.00 0.00 H new ATOM 0 HA ALA A 98 -17.001 -3.139 -10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.682 -4.106 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.664 -2.490 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.117 -2.701 -9.283 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.892 -3.150 -7.169 1.00 0.00 N ATOM 1525 CA PRO A 99 -16.064 -3.849 -5.871 1.00 0.00 C ATOM 1526 C PRO A 99 -17.427 -3.694 -5.349 1.00 0.00 C ATOM 1527 O PRO A 99 -18.253 -2.950 -5.839 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.973 -3.265 -4.978 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.684 -1.921 -5.568 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.986 -1.998 -7.048 1.00 0.00 C ATOM 0 HA PRO A 99 -15.954 -4.931 -5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.309 -3.181 -3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.084 -3.896 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -15.295 -1.154 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.642 -1.646 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.455 -1.082 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -14.078 -2.142 -7.633 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.714 -4.592 -4.478 1.00 0.00 N ATOM 1539 CA LYS A 100 -19.078 -4.730 -4.044 1.00 0.00 C ATOM 1540 C LYS A 100 -19.252 -4.213 -2.620 1.00 0.00 C ATOM 1541 O LYS A 100 -18.797 -4.843 -1.692 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.334 -6.242 -4.149 1.00 0.00 C ATOM 1543 CG LYS A 100 -18.386 -6.906 -5.149 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.351 -6.056 -6.411 1.00 0.00 C ATOM 1545 CE LYS A 100 -19.227 -6.753 -7.415 1.00 0.00 C ATOM 1546 NZ LYS A 100 -18.611 -6.504 -8.751 1.00 0.00 N ATOM 0 H LYS A 100 -17.047 -5.236 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.783 -4.150 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.209 -6.702 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.366 -6.417 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.387 -6.995 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.725 -7.916 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.715 -5.048 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.332 -5.958 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.284 -7.821 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.245 -6.366 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.358 -6.440 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.076 -5.612 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.968 -7.286 -8.988 1.00 0.00 H new ATOM 1560 N SER A 101 -19.877 -3.073 -2.430 1.00 0.00 N ATOM 1561 CA SER A 101 -20.026 -2.557 -1.011 1.00 0.00 C ATOM 1562 C SER A 101 -20.386 -3.676 -0.082 1.00 0.00 C ATOM 1563 O SER A 101 -21.530 -4.021 0.141 1.00 0.00 O ATOM 1564 CB SER A 101 -21.105 -1.476 -0.985 1.00 0.00 C ATOM 1565 OG SER A 101 -22.142 -1.814 -1.896 1.00 0.00 O ATOM 0 H SER A 101 -20.281 -2.488 -3.162 1.00 0.00 H new ATOM 0 HA SER A 101 -19.078 -2.133 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.510 -1.377 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.674 -0.511 -1.251 1.00 0.00 H new ATOM 0 HG SER A 101 -22.834 -1.120 -1.876 1.00 0.00 H new ATOM 1571 N GLU A 102 -19.367 -4.208 0.483 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.529 -5.311 1.472 1.00 0.00 C ATOM 1573 C GLU A 102 -18.317 -5.536 2.234 1.00 0.00 C ATOM 1574 O GLU A 102 -18.323 -5.893 3.396 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.574 -6.679 0.764 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.761 -6.751 -0.197 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.883 -8.169 -0.760 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -20.900 -9.101 0.029 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -20.963 -8.301 -1.971 1.00 0.00 O ATOM 0 H GLU A 102 -18.401 -3.930 0.308 1.00 0.00 H new ATOM 0 HA GLU A 102 -20.409 -5.020 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.646 -6.841 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.650 -7.475 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.679 -6.475 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.627 -6.037 -1.010 1.00 0.00 H new ATOM 1586 N ASN A 103 -17.303 -5.701 1.455 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.175 -6.329 2.062 1.00 0.00 C ATOM 1588 C ASN A 103 -14.866 -6.149 1.321 1.00 0.00 C ATOM 1589 O ASN A 103 -14.474 -6.979 0.535 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.766 -7.709 1.878 1.00 0.00 C ATOM 1591 CG ASN A 103 -15.764 -8.793 2.273 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -14.655 -8.472 2.899 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -15.991 -9.958 2.013 1.00 0.00 N flip ATOM 0 H ASN A 103 -17.225 -5.435 0.473 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.872 -5.991 3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.668 -7.805 2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.063 -7.845 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.850 -10.214 1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -15.322 -10.680 2.281 1.00 0.00 H new ATOM 1600 N VAL A 104 -14.161 -5.122 1.605 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.842 -4.945 0.931 1.00 0.00 C ATOM 1602 C VAL A 104 -11.781 -4.341 1.884 1.00 0.00 C ATOM 1603 O VAL A 104 -12.068 -3.482 2.694 1.00 0.00 O ATOM 1604 CB VAL A 104 -13.080 -4.051 -0.271 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.820 -3.967 -1.128 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -14.293 -4.504 -1.115 1.00 0.00 C ATOM 0 H VAL A 104 -14.422 -4.391 2.267 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.442 -5.911 0.623 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.318 -3.057 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.006 -3.322 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.003 -3.555 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.549 -4.964 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.419 -3.830 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.125 -5.517 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.192 -4.484 -0.499 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.553 -4.814 1.783 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.434 -4.332 2.649 1.00 0.00 C ATOM 1618 C VAL A 105 -8.125 -4.529 1.885 1.00 0.00 C ATOM 1619 O VAL A 105 -7.885 -5.554 1.290 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.491 -5.248 3.875 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.147 -5.229 4.602 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -10.597 -4.774 4.823 1.00 0.00 C ATOM 0 H VAL A 105 -10.280 -5.535 1.115 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.505 -3.281 2.928 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.706 -6.266 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.195 -5.883 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.364 -5.578 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.922 -4.212 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.635 -5.428 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.388 -3.754 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.556 -4.803 4.306 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.288 -3.534 1.890 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.997 -3.649 1.136 1.00 0.00 C ATOM 1634 C VAL A 106 -4.800 -3.756 2.053 1.00 0.00 C ATOM 1635 O VAL A 106 -4.685 -3.087 3.046 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.927 -2.402 0.257 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -5.132 -1.280 0.943 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -5.254 -2.791 -1.060 1.00 0.00 C ATOM 0 H VAL A 106 -7.433 -2.650 2.377 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.971 -4.563 0.543 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.934 -2.025 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -5.100 -0.406 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.615 -1.015 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.116 -1.622 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.191 -1.917 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.251 -3.167 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.840 -3.567 -1.553 1.00 0.00 H new ATOM 1648 N THR A 107 -3.896 -4.584 1.677 1.00 0.00 N ATOM 1649 CA THR A 107 -2.644 -4.775 2.460 1.00 0.00 C ATOM 1650 C THR A 107 -1.498 -4.738 1.469 1.00 0.00 C ATOM 1651 O THR A 107 -1.387 -5.617 0.629 1.00 0.00 O ATOM 1652 CB THR A 107 -2.762 -6.133 3.071 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.130 -6.460 3.276 1.00 0.00 O ATOM 1654 CG2 THR A 107 -2.011 -6.122 4.401 1.00 0.00 C ATOM 0 H THR A 107 -3.962 -5.159 0.837 1.00 0.00 H new ATOM 0 HA THR A 107 -2.481 -4.020 3.229 1.00 0.00 H new ATOM 0 HB THR A 107 -2.333 -6.884 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.197 -7.353 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.083 -7.105 4.867 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.963 -5.879 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.451 -5.374 5.061 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.663 -3.743 1.477 1.00 0.00 N ATOM 1663 CA VAL A 108 0.415 -3.732 0.450 1.00 0.00 C ATOM 1664 C VAL A 108 1.761 -3.593 1.147 1.00 0.00 C ATOM 1665 O VAL A 108 1.913 -2.914 2.138 1.00 0.00 O ATOM 1666 CB VAL A 108 0.077 -2.554 -0.503 1.00 0.00 C ATOM 1667 CG1 VAL A 108 0.883 -2.606 -1.802 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.430 -2.528 -0.831 1.00 0.00 C ATOM 0 H VAL A 108 -0.674 -2.957 2.128 1.00 0.00 H new ATOM 0 HA VAL A 108 0.478 -4.651 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 108 0.351 -1.640 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.610 -1.761 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.947 -2.558 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.667 -3.536 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.642 -1.694 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.713 -3.463 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.001 -2.409 0.090 1.00 0.00 H new ATOM 1678 N LYS A 109 2.731 -4.285 0.623 1.00 0.00 N ATOM 1679 CA LYS A 109 4.083 -4.258 1.246 1.00 0.00 C ATOM 1680 C LYS A 109 5.194 -4.033 0.238 1.00 0.00 C ATOM 1681 O LYS A 109 5.122 -4.403 -0.904 1.00 0.00 O ATOM 1682 CB LYS A 109 4.255 -5.574 1.978 1.00 0.00 C ATOM 1683 CG LYS A 109 4.840 -6.593 1.120 1.00 0.00 C ATOM 1684 CD LYS A 109 3.793 -7.195 0.184 1.00 0.00 C ATOM 1685 CE LYS A 109 4.210 -8.621 -0.184 1.00 0.00 C ATOM 1686 NZ LYS A 109 2.938 -9.393 -0.262 1.00 0.00 N ATOM 0 H LYS A 109 2.647 -4.868 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 109 4.154 -3.414 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.890 -5.425 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.287 -5.917 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.649 -6.158 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.279 -7.380 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.816 -7.202 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.699 -6.587 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.742 -8.642 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.880 -9.041 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.136 -10.353 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.507 -9.448 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.283 -8.917 -0.915 1.00 0.00 H new ATOM 1700 N VAL A 110 6.246 -3.483 0.712 1.00 0.00 N ATOM 1701 CA VAL A 110 7.434 -3.251 -0.116 1.00 0.00 C ATOM 1702 C VAL A 110 8.450 -4.346 0.260 1.00 0.00 C ATOM 1703 O VAL A 110 8.796 -4.492 1.431 1.00 0.00 O ATOM 1704 CB VAL A 110 7.926 -1.862 0.281 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.438 -1.721 0.026 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.163 -0.809 -0.530 1.00 0.00 C ATOM 0 H VAL A 110 6.339 -3.171 1.679 1.00 0.00 H new ATOM 0 HA VAL A 110 7.261 -3.292 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 110 7.746 -1.715 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.764 -0.723 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.977 -2.464 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.644 -1.876 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.510 0.186 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.340 -0.970 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.096 -0.893 -0.323 1.00 0.00 H new ATOM 1716 N MET A 111 8.911 -5.120 -0.714 1.00 0.00 N ATOM 1717 CA MET A 111 9.894 -6.220 -0.440 1.00 0.00 C ATOM 1718 C MET A 111 11.258 -5.729 -0.850 1.00 0.00 C ATOM 1719 O MET A 111 11.435 -5.204 -1.922 1.00 0.00 O ATOM 1720 CB MET A 111 9.418 -7.412 -1.285 1.00 0.00 C ATOM 1721 CG MET A 111 10.596 -8.119 -1.983 1.00 0.00 C ATOM 1722 SD MET A 111 11.813 -8.645 -0.752 1.00 0.00 S ATOM 1723 CE MET A 111 13.047 -9.281 -1.915 1.00 0.00 C ATOM 0 H MET A 111 8.640 -5.029 -1.693 1.00 0.00 H new ATOM 0 HA MET A 111 9.956 -6.515 0.607 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.892 -8.123 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 111 8.705 -7.066 -2.034 1.00 0.00 H new ATOM 0 HG2 MET A 111 10.234 -8.982 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 111 11.061 -7.445 -2.703 1.00 0.00 H new ATOM 0 HE1 MET A 111 14.035 -8.920 -1.631 1.00 0.00 H new ATOM 0 HE2 MET A 111 13.039 -10.371 -1.894 1.00 0.00 H new ATOM 0 HE3 MET A 111 12.810 -8.936 -2.921 1.00 0.00 H new ATOM 1733 N GLY A 112 12.203 -5.823 0.006 1.00 0.00 N ATOM 1734 CA GLY A 112 13.536 -5.269 -0.342 1.00 0.00 C ATOM 1735 C GLY A 112 14.419 -6.213 -1.167 1.00 0.00 C ATOM 1736 O GLY A 112 14.051 -6.692 -2.222 1.00 0.00 O ATOM 0 H GLY A 112 12.127 -6.253 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.397 -4.342 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.061 -5.012 0.578 1.00 0.00 H new ATOM 1740 N ASP A 113 15.625 -6.385 -0.706 1.00 0.00 N ATOM 1741 CA ASP A 113 16.652 -7.182 -1.426 1.00 0.00 C ATOM 1742 C ASP A 113 16.786 -8.584 -0.920 1.00 0.00 C ATOM 1743 O ASP A 113 17.686 -9.309 -1.298 1.00 0.00 O ATOM 1744 CB ASP A 113 17.934 -6.411 -1.155 1.00 0.00 C ATOM 1745 CG ASP A 113 18.438 -6.721 0.259 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.656 -6.594 1.187 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.596 -7.080 0.388 1.00 0.00 O ATOM 0 H ASP A 113 15.951 -5.989 0.176 1.00 0.00 H new ATOM 0 HA ASP A 113 16.398 -7.294 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.693 -6.681 -1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.755 -5.341 -1.261 1.00 0.00 H new ATOM 1752 N ASP A 114 15.943 -8.976 -0.068 1.00 0.00 N ATOM 1753 CA ASP A 114 16.087 -10.325 0.442 1.00 0.00 C ATOM 1754 C ASP A 114 14.889 -10.832 1.223 1.00 0.00 C ATOM 1755 O ASP A 114 14.813 -12.005 1.536 1.00 0.00 O ATOM 1756 CB ASP A 114 17.319 -10.271 1.327 1.00 0.00 C ATOM 1757 CG ASP A 114 17.205 -9.095 2.298 1.00 0.00 C ATOM 1758 OD1 ASP A 114 16.140 -8.503 2.357 1.00 0.00 O ATOM 1759 OD2 ASP A 114 18.185 -8.807 2.965 1.00 0.00 O ATOM 0 H ASP A 114 15.163 -8.432 0.301 1.00 0.00 H new ATOM 0 HA ASP A 114 16.173 -11.028 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.422 -11.204 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.214 -10.164 0.714 1.00 0.00 H new ATOM 1764 N GLY A 115 13.976 -10.001 1.597 1.00 0.00 N ATOM 1765 CA GLY A 115 12.876 -10.510 2.391 1.00 0.00 C ATOM 1766 C GLY A 115 11.663 -9.690 2.231 1.00 0.00 C ATOM 1767 O GLY A 115 10.744 -9.918 1.470 1.00 0.00 O ATOM 0 H GLY A 115 13.953 -9.004 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.661 -11.538 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.165 -10.531 3.442 1.00 0.00 H new ATOM 1771 N VAL A 116 11.716 -8.770 3.042 1.00 0.00 N ATOM 1772 CA VAL A 116 10.648 -7.783 3.210 1.00 0.00 C ATOM 1773 C VAL A 116 11.224 -6.395 3.458 1.00 0.00 C ATOM 1774 O VAL A 116 12.422 -6.200 3.538 1.00 0.00 O ATOM 1775 CB VAL A 116 9.843 -8.285 4.390 1.00 0.00 C ATOM 1776 CG1 VAL A 116 10.469 -7.810 5.700 1.00 0.00 C ATOM 1777 CG2 VAL A 116 8.411 -7.763 4.267 1.00 0.00 C ATOM 0 H VAL A 116 12.511 -8.621 3.664 1.00 0.00 H new ATOM 0 HA VAL A 116 10.028 -7.681 2.319 1.00 0.00 H new ATOM 0 HB VAL A 116 9.837 -9.375 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.880 -8.178 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.487 -8.192 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.488 -6.720 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.821 -8.118 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.420 -6.673 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.970 -8.125 3.338 1.00 0.00 H new ATOM 1787 N LEU A 117 10.371 -5.436 3.572 1.00 0.00 N ATOM 1788 CA LEU A 117 10.831 -4.040 3.806 1.00 0.00 C ATOM 1789 C LEU A 117 9.844 -3.284 4.692 1.00 0.00 C ATOM 1790 O LEU A 117 10.168 -2.895 5.795 1.00 0.00 O ATOM 1791 CB LEU A 117 10.925 -3.430 2.423 1.00 0.00 C ATOM 1792 CG LEU A 117 12.001 -2.344 2.401 1.00 0.00 C ATOM 1793 CD1 LEU A 117 11.807 -1.402 3.592 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.387 -2.989 2.482 1.00 0.00 C ATOM 0 H LEU A 117 9.359 -5.552 3.514 1.00 0.00 H new ATOM 0 HA LEU A 117 11.786 -3.997 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.162 -4.203 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 117 9.962 -3.005 2.138 1.00 0.00 H new ATOM 0 HG LEU A 117 11.919 -1.777 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.575 -0.629 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.823 -0.937 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.884 -1.968 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.151 -2.212 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.469 -3.560 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.529 -3.655 1.631 1.00 0.00 H new ATOM 1806 N ALA A 118 8.644 -3.080 4.237 1.00 0.00 N ATOM 1807 CA ALA A 118 7.648 -2.344 5.101 1.00 0.00 C ATOM 1808 C ALA A 118 6.264 -2.558 4.550 1.00 0.00 C ATOM 1809 O ALA A 118 6.022 -2.363 3.385 1.00 0.00 O ATOM 1810 CB ALA A 118 8.047 -0.870 5.021 1.00 0.00 C ATOM 0 H ALA A 118 8.301 -3.379 3.324 1.00 0.00 H new ATOM 0 HA ALA A 118 7.647 -2.693 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.364 -0.275 5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.064 -0.748 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.998 -0.536 3.985 1.00 0.00 H new ATOM 1816 N CYS A 119 5.351 -2.979 5.351 1.00 0.00 N ATOM 1817 CA CYS A 119 3.989 -3.239 4.784 1.00 0.00 C ATOM 1818 C CYS A 119 2.870 -2.683 5.629 1.00 0.00 C ATOM 1819 O CYS A 119 2.903 -2.689 6.844 1.00 0.00 O ATOM 1820 CB CYS A 119 3.884 -4.757 4.625 1.00 0.00 C ATOM 1821 SG CYS A 119 3.314 -5.517 6.138 1.00 0.00 S ATOM 0 H CYS A 119 5.465 -3.156 6.349 1.00 0.00 H new ATOM 0 HA CYS A 119 3.876 -2.725 3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.198 -4.995 3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 119 4.856 -5.166 4.351 1.00 0.00 H new ATOM 1826 N ALA A 120 1.876 -2.184 4.958 1.00 0.00 N ATOM 1827 CA ALA A 120 0.721 -1.591 5.690 1.00 0.00 C ATOM 1828 C ALA A 120 -0.604 -1.836 4.969 1.00 0.00 C ATOM 1829 O ALA A 120 -0.723 -1.774 3.753 1.00 0.00 O ATOM 1830 CB ALA A 120 1.020 -0.089 5.785 1.00 0.00 C ATOM 0 H ALA A 120 1.809 -2.159 3.940 1.00 0.00 H new ATOM 0 HA ALA A 120 0.609 -2.050 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.208 0.411 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.954 0.063 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.111 0.328 4.782 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.582 -2.158 5.755 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.944 -2.466 5.266 1.00 0.00 C ATOM 1838 C ILE A 121 -3.972 -1.406 5.714 1.00 0.00 C ATOM 1839 O ILE A 121 -3.926 -0.918 6.826 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.212 -3.771 5.935 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.312 -4.465 5.335 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.444 -3.606 7.417 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.634 -3.737 5.583 1.00 0.00 C ATOM 0 H ILE A 121 -1.486 -2.223 6.768 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.020 -2.486 4.179 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.316 -4.375 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.143 -4.560 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.370 -5.476 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.636 -4.581 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.561 -3.162 7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.303 -2.956 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.448 -4.290 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.814 -3.666 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.583 -2.735 5.156 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.917 -1.072 4.869 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.966 -0.084 5.235 1.00 0.00 C ATOM 1857 C ALA A 122 -7.352 -0.691 4.869 1.00 0.00 C ATOM 1858 O ALA A 122 -7.415 -1.692 4.175 1.00 0.00 O ATOM 1859 CB ALA A 122 -5.662 1.136 4.363 1.00 0.00 C ATOM 0 H ALA A 122 -5.002 -1.452 3.926 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.980 0.175 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.391 1.920 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.661 1.504 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.717 0.855 3.311 1.00 0.00 H new ATOM 1865 N THR A 123 -8.460 -0.114 5.319 1.00 0.00 N ATOM 1866 CA THR A 123 -9.794 -0.699 4.982 1.00 0.00 C ATOM 1867 C THR A 123 -10.883 0.392 5.017 1.00 0.00 C ATOM 1868 O THR A 123 -10.731 1.434 4.414 1.00 0.00 O ATOM 1869 CB THR A 123 -10.031 -1.730 6.058 1.00 0.00 C ATOM 1870 OG1 THR A 123 -9.976 -1.119 7.340 1.00 0.00 O ATOM 1871 CG2 THR A 123 -8.950 -2.783 5.927 1.00 0.00 C ATOM 0 H THR A 123 -8.487 0.726 5.897 1.00 0.00 H new ATOM 0 HA THR A 123 -9.824 -1.131 3.982 1.00 0.00 H new ATOM 0 HB THR A 123 -11.016 -2.183 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.133 -1.795 8.032 1.00 0.00 H new ATOM 0 HG21 THR A 123 -9.091 -3.547 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 123 -9.008 -3.243 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.972 -2.318 6.054 1.00 0.00 H new ATOM 1879 N HIS A 124 -11.973 0.171 5.733 1.00 0.00 N ATOM 1880 CA HIS A 124 -13.064 1.220 5.814 1.00 0.00 C ATOM 1881 C HIS A 124 -13.675 1.554 4.445 1.00 0.00 C ATOM 1882 O HIS A 124 -14.876 1.512 4.287 1.00 0.00 O ATOM 1883 CB HIS A 124 -12.418 2.437 6.416 1.00 0.00 C ATOM 1884 CG HIS A 124 -12.348 2.291 7.912 1.00 0.00 C ATOM 1885 ND1 HIS A 124 -13.423 2.588 8.736 1.00 0.00 N ATOM 1886 CD2 HIS A 124 -11.338 1.885 8.748 1.00 0.00 C ATOM 1887 CE1 HIS A 124 -13.037 2.361 10.004 1.00 0.00 C ATOM 1888 NE2 HIS A 124 -11.775 1.931 10.069 1.00 0.00 N ATOM 0 H HIS A 124 -12.155 -0.682 6.261 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.894 0.850 6.415 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -11.416 2.568 6.007 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -12.988 3.329 6.155 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -10.353 1.577 8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -13.671 2.509 10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -11.245 1.688 10.906 1.00 0.00 H new ATOM 1896 N ALA A 125 -12.876 1.894 3.462 1.00 0.00 N ATOM 1897 CA ALA A 125 -13.448 2.236 2.113 1.00 0.00 C ATOM 1898 C ALA A 125 -14.479 1.192 1.687 1.00 0.00 C ATOM 1899 O ALA A 125 -14.166 0.235 1.007 1.00 0.00 O ATOM 1900 CB ALA A 125 -12.253 2.239 1.153 1.00 0.00 C ATOM 0 H ALA A 125 -11.860 1.950 3.530 1.00 0.00 H new ATOM 0 HA ALA A 125 -13.961 3.198 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.595 2.481 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.527 2.984 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -11.786 1.254 1.150 1.00 0.00 H new ATOM 1906 N LYS A 126 -15.713 1.369 2.085 1.00 0.00 N ATOM 1907 CA LYS A 126 -16.764 0.389 1.704 1.00 0.00 C ATOM 1908 C LYS A 126 -17.741 1.025 0.709 1.00 0.00 C ATOM 1909 O LYS A 126 -18.925 1.059 0.953 1.00 0.00 O ATOM 1910 CB LYS A 126 -17.473 0.052 3.017 1.00 0.00 C ATOM 1911 CG LYS A 126 -18.234 1.278 3.527 1.00 0.00 C ATOM 1912 CD LYS A 126 -18.305 1.232 5.055 1.00 0.00 C ATOM 1913 CE LYS A 126 -19.768 1.260 5.501 1.00 0.00 C ATOM 1914 NZ LYS A 126 -19.970 -0.018 6.238 1.00 0.00 N ATOM 0 H LYS A 126 -16.034 2.150 2.657 1.00 0.00 H new ATOM 0 HA LYS A 126 -16.355 -0.498 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -18.163 -0.778 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.745 -0.271 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -17.735 2.191 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -19.239 1.297 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.819 0.329 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.768 2.080 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.970 2.120 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -20.440 1.333 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -20.952 -0.072 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.777 -0.819 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.322 -0.056 7.050 1.00 0.00 H new ATOM 1928 N ILE A 127 -17.228 1.531 -0.402 1.00 0.00 N ATOM 1929 CA ILE A 127 -18.090 2.192 -1.461 1.00 0.00 C ATOM 1930 C ILE A 127 -19.543 2.420 -1.030 1.00 0.00 C ATOM 1931 O ILE A 127 -20.285 1.504 -0.737 1.00 0.00 O ATOM 1932 CB ILE A 127 -18.006 1.315 -2.688 1.00 0.00 C ATOM 1933 CG1 ILE A 127 -18.009 2.301 -3.799 1.00 0.00 C ATOM 1934 CG2 ILE A 127 -19.171 0.323 -2.794 1.00 0.00 C ATOM 1935 CD1 ILE A 127 -18.387 1.644 -5.123 1.00 0.00 C ATOM 0 H ILE A 127 -16.233 1.514 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 127 -17.714 3.197 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 127 -17.126 0.672 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -18.713 3.103 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -17.023 2.757 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -19.055 -0.279 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -19.175 -0.329 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -20.112 0.871 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -18.380 2.392 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -17.668 0.859 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -19.384 1.210 -5.042 1.00 0.00 H new ATOM 1947 N ARG A 128 -19.951 3.657 -1.029 1.00 0.00 N ATOM 1948 CA ARG A 128 -21.348 3.997 -0.653 1.00 0.00 C ATOM 1949 C ARG A 128 -21.686 5.447 -1.016 1.00 0.00 C ATOM 1950 O ARG A 128 -20.832 6.309 -0.961 1.00 0.00 O ATOM 1951 CB ARG A 128 -21.489 3.792 0.800 1.00 0.00 C ATOM 1952 CG ARG A 128 -22.932 3.397 0.922 1.00 0.00 C ATOM 1953 CD ARG A 128 -23.067 1.908 0.654 1.00 0.00 C ATOM 1954 NE ARG A 128 -23.196 1.282 1.998 1.00 0.00 N ATOM 1955 CZ ARG A 128 -22.742 0.078 2.206 1.00 0.00 C ATOM 1956 NH1 ARG A 128 -21.462 -0.118 2.370 1.00 0.00 N ATOM 1957 NH2 ARG A 128 -23.566 -0.932 2.247 1.00 0.00 N ATOM 0 H ARG A 128 -19.368 4.456 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 128 -22.039 3.357 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -20.821 3.014 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.265 4.698 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -23.303 3.634 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -23.537 3.962 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -23.939 1.696 0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.197 1.523 0.122 1.00 0.00 H new ATOM 0 HE ARG A 128 -23.641 1.796 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -20.817 0.671 2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -21.107 -1.060 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.566 -0.780 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -23.210 -1.874 2.410 1.00 0.00 H new ATOM 1971 N ASP A 129 -22.924 5.724 -1.377 1.00 0.00 N ATOM 1972 CA ASP A 129 -23.334 7.115 -1.741 1.00 0.00 C ATOM 1973 C ASP A 129 -22.159 7.910 -2.322 1.00 0.00 C ATOM 1974 O ASP A 129 -22.037 9.077 -1.987 1.00 0.00 O ATOM 1975 CB ASP A 129 -23.820 7.742 -0.432 1.00 0.00 C ATOM 1976 CG ASP A 129 -24.632 6.717 0.367 1.00 0.00 C ATOM 1977 OD1 ASP A 129 -25.369 5.963 -0.248 1.00 0.00 O ATOM 1978 OD2 ASP A 129 -24.503 6.704 1.580 1.00 0.00 O ATOM 1979 OXT ASP A 129 -21.401 7.335 -3.085 1.00 0.00 O ATOM 0 H ASP A 129 -23.672 5.033 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 129 -24.107 7.117 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -22.968 8.083 0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -24.432 8.619 -0.644 1.00 0.00 H new TER 1984 ASP A 129