USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 31 GLN : amide:sc= -0.0305 K(o=-6.1,f=-4.5) USER MOD Set 1.2: A 35 GLN : amide:sc= -6.06! C(o=-6.1!,f=-4.5!) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.89! C(o=-14!,f=-26!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -7.42! C(o=-14!,f=-16!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -90:sc= -1.24! USER MOD Single : A 14 CYS SG : rot -44:sc= -9.54! USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00158 USER MOD Single : A 25 THR OG1 : rot 85:sc= -2.11! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -96:sc= 0.951 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -15.7! C(o=-16!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= -3.49! C(o=-3.5!,f=-8.3!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.409 USER MOD Single : A 55 MET CE :methyl -135:sc= -19.1! (180deg=-20.4!) USER MOD Single : A 57 SER OG : rot 60:sc= 0.514 USER MOD Single : A 58 SER OG : rot -160:sc= -0.786 USER MOD Single : A 67 TYR OH : rot 4:sc= -5.78! USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.291 (180deg=-1.19!) USER MOD Single : A 69 GLN : amide:sc=-0.00459 K(o=-0.0046,f=-1) USER MOD Single : A 77 MET CE :methyl 132:sc= -4.88! (180deg=-7.86!) USER MOD Single : A 80 CYS SG : rot -53:sc= -5.25! USER MOD Single : A 83 SER OG : rot -63:sc= -0.693! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -158:sc= 0 (180deg=-0.0027) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0297) USER MOD Single : A 103 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.018) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -12.5! C(o=-12!,f=-15!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot -162:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.281 -14.180 -0.019 1.00 0.00 N ATOM 12 CA LEU A 2 -7.249 -13.209 0.306 1.00 0.00 C ATOM 13 C LEU A 2 -5.877 -13.880 0.211 1.00 0.00 C ATOM 14 O LEU A 2 -5.701 -15.009 0.668 1.00 0.00 O ATOM 15 CB LEU A 2 -7.527 -12.568 1.667 1.00 0.00 C ATOM 16 CG LEU A 2 -6.458 -11.603 2.185 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.086 -10.487 3.021 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.370 -12.355 2.955 1.00 0.00 C ATOM 0 HA LEU A 2 -7.255 -12.390 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.474 -12.032 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.657 -13.363 2.401 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.978 -11.130 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.305 -9.815 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.794 -9.928 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.608 -10.921 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.622 -11.647 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.817 -12.872 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.895 -13.083 2.297 1.00 0.00 H new ATOM 29 N GLY A 3 -4.941 -13.157 -0.385 1.00 0.00 N ATOM 30 CA GLY A 3 -3.589 -13.666 -0.546 1.00 0.00 C ATOM 31 C GLY A 3 -2.566 -12.712 0.072 1.00 0.00 C ATOM 32 O GLY A 3 -2.876 -11.991 1.018 1.00 0.00 O ATOM 0 H GLY A 3 -5.092 -12.222 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.507 -14.646 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.371 -13.801 -1.605 1.00 0.00 H new ATOM 36 N ILE A 4 -1.366 -12.738 -0.490 1.00 0.00 N ATOM 37 CA ILE A 4 -0.294 -11.884 -0.007 1.00 0.00 C ATOM 38 C ILE A 4 0.997 -12.219 -0.758 1.00 0.00 C ATOM 39 O ILE A 4 1.262 -13.383 -1.054 1.00 0.00 O ATOM 40 CB ILE A 4 -0.167 -11.991 1.514 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.014 -10.608 2.150 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.975 -12.932 1.903 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.906 -9.719 1.313 1.00 0.00 C ATOM 0 H ILE A 4 -1.113 -13.337 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.519 -10.837 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.088 -12.424 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.993 -10.137 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.390 -10.710 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.044 -12.991 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.782 -13.925 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.913 -12.551 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.998 -8.742 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.891 -10.181 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.486 -9.600 0.314 1.00 0.00 H new ATOM 54 N ASP A 5 1.764 -11.177 -1.043 1.00 0.00 N ATOM 55 CA ASP A 5 3.020 -11.346 -1.753 1.00 0.00 C ATOM 56 C ASP A 5 3.988 -10.236 -1.339 1.00 0.00 C ATOM 57 O ASP A 5 3.579 -9.094 -1.136 1.00 0.00 O ATOM 58 CB ASP A 5 2.815 -11.255 -3.267 1.00 0.00 C ATOM 59 CG ASP A 5 3.354 -12.443 -4.065 1.00 0.00 C ATOM 60 OD1 ASP A 5 3.612 -13.521 -3.510 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.510 -12.225 -5.327 1.00 0.00 O ATOM 0 H ASP A 5 1.540 -10.213 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 5 3.419 -12.329 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.748 -11.155 -3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.294 -10.346 -3.629 1.00 0.00 H new ATOM 66 N MET A 6 5.254 -10.610 -1.226 1.00 0.00 N ATOM 67 CA MET A 6 6.284 -9.660 -0.840 1.00 0.00 C ATOM 68 C MET A 6 7.525 -9.807 -1.723 1.00 0.00 C ATOM 69 O MET A 6 7.995 -10.919 -1.958 1.00 0.00 O ATOM 70 CB MET A 6 6.668 -9.890 0.623 1.00 0.00 C ATOM 71 CG MET A 6 5.527 -9.487 1.559 1.00 0.00 C ATOM 72 SD MET A 6 5.856 -10.076 3.212 1.00 0.00 S ATOM 73 CE MET A 6 4.861 -11.558 3.216 1.00 0.00 C ATOM 0 H MET A 6 5.590 -11.558 -1.395 1.00 0.00 H new ATOM 0 HA MET A 6 5.888 -8.652 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.916 -10.940 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.561 -9.313 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.417 -8.403 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.586 -9.901 1.197 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.951 -12.054 4.182 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.818 -11.296 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.206 -12.230 2.430 1.00 0.00 H new ATOM 81 N ASN A 7 8.020 -8.670 -2.188 1.00 0.00 N ATOM 82 CA ASN A 7 9.196 -8.658 -3.040 1.00 0.00 C ATOM 83 C ASN A 7 10.121 -7.518 -2.608 1.00 0.00 C ATOM 84 O ASN A 7 9.659 -6.494 -2.108 1.00 0.00 O ATOM 85 CB ASN A 7 8.815 -8.429 -4.503 1.00 0.00 C ATOM 86 CG ASN A 7 9.176 -9.643 -5.361 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.407 -10.577 -5.516 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.387 -9.577 -5.908 1.00 0.00 N ATOM 0 H ASN A 7 7.627 -7.750 -1.990 1.00 0.00 H new ATOM 0 HA ASN A 7 9.691 -9.624 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.746 -8.232 -4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.329 -7.546 -4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.722 -10.338 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.980 -8.765 -5.737 1.00 0.00 H new ATOM 94 N VAL A 8 11.412 -7.734 -2.818 1.00 0.00 N ATOM 95 CA VAL A 8 12.405 -6.738 -2.457 1.00 0.00 C ATOM 96 C VAL A 8 13.116 -6.250 -3.722 1.00 0.00 C ATOM 97 O VAL A 8 13.455 -7.049 -4.594 1.00 0.00 O ATOM 98 CB VAL A 8 13.368 -7.311 -1.415 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.736 -7.606 -2.035 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.500 -6.372 -0.214 1.00 0.00 C ATOM 0 H VAL A 8 11.792 -8.584 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 8 11.927 -5.873 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 8 12.953 -8.253 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.401 -8.012 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.622 -8.331 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.161 -6.685 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.190 -6.803 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.881 -5.406 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.523 -6.236 0.251 1.00 0.00 H new ATOM 110 N LYS A 9 13.319 -4.942 -3.781 1.00 0.00 N ATOM 111 CA LYS A 9 13.982 -4.340 -4.924 1.00 0.00 C ATOM 112 C LYS A 9 14.870 -3.189 -4.445 1.00 0.00 C ATOM 113 O LYS A 9 14.373 -2.120 -4.098 1.00 0.00 O ATOM 114 CB LYS A 9 12.957 -3.926 -5.982 1.00 0.00 C ATOM 115 CG LYS A 9 11.619 -4.632 -5.754 1.00 0.00 C ATOM 116 CD LYS A 9 10.808 -4.701 -7.049 1.00 0.00 C ATOM 117 CE LYS A 9 10.070 -3.386 -7.305 1.00 0.00 C ATOM 118 NZ LYS A 9 9.250 -3.482 -8.533 1.00 0.00 N ATOM 0 H LYS A 9 13.036 -4.283 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 9 14.634 -5.065 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.813 -2.846 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.336 -4.168 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.795 -5.639 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.049 -4.101 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.471 -4.919 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.090 -5.519 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.433 -3.148 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.788 -2.572 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.756 -2.581 -8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.865 -3.688 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.552 -4.245 -8.425 1.00 0.00 H new ATOM 127 N GLU A 10 16.170 -3.448 -4.443 1.00 0.00 N ATOM 128 CA GLU A 10 17.131 -2.448 -4.011 1.00 0.00 C ATOM 129 C GLU A 10 16.914 -2.102 -2.537 1.00 0.00 C ATOM 130 O GLU A 10 17.853 -1.725 -1.839 1.00 0.00 O ATOM 131 CB GLU A 10 17.048 -1.196 -4.887 1.00 0.00 C ATOM 132 CG GLU A 10 17.735 -0.007 -4.209 1.00 0.00 C ATOM 133 CD GLU A 10 18.507 0.834 -5.228 1.00 0.00 C ATOM 134 OE1 GLU A 10 17.894 1.479 -6.092 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.790 0.802 -5.099 1.00 0.00 O ATOM 0 H GLU A 10 16.580 -4.336 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 10 18.133 -2.864 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.517 -1.391 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.004 -0.954 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.989 0.613 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.417 -0.367 -3.438 1.00 0.00 H new ATOM 141 N SER A 11 15.669 -2.244 -2.106 1.00 0.00 N ATOM 142 CA SER A 11 15.316 -1.952 -0.728 1.00 0.00 C ATOM 143 C SER A 11 13.807 -1.723 -0.611 1.00 0.00 C ATOM 144 O SER A 11 13.304 -1.424 0.470 1.00 0.00 O ATOM 145 CB SER A 11 16.080 -0.731 -0.211 1.00 0.00 C ATOM 146 OG SER A 11 16.677 0.013 -1.269 1.00 0.00 O ATOM 0 H SER A 11 14.892 -2.558 -2.688 1.00 0.00 H new ATOM 0 HA SER A 11 15.595 -2.809 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.400 -0.087 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.853 -1.055 0.485 1.00 0.00 H new ATOM 0 HG SER A 11 17.583 -0.322 -1.434 1.00 0.00 H new ATOM 151 N VAL A 12 13.129 -1.871 -1.739 1.00 0.00 N ATOM 152 CA VAL A 12 11.689 -1.684 -1.778 1.00 0.00 C ATOM 153 C VAL A 12 10.999 -3.043 -1.643 1.00 0.00 C ATOM 154 O VAL A 12 11.205 -3.933 -2.467 1.00 0.00 O ATOM 155 CB VAL A 12 11.292 -0.936 -3.052 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.408 -1.842 -4.279 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.881 -0.356 -2.929 1.00 0.00 C ATOM 0 H VAL A 12 13.551 -2.119 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 12 11.361 -1.068 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 12 11.986 -0.106 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.120 -1.285 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.438 -2.185 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.749 -2.702 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.623 0.171 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.169 -1.164 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.845 0.339 -2.090 1.00 0.00 H new ATOM 167 N LEU A 13 10.193 -3.161 -0.597 1.00 0.00 N ATOM 168 CA LEU A 13 9.472 -4.396 -0.343 1.00 0.00 C ATOM 169 C LEU A 13 8.095 -4.323 -1.007 1.00 0.00 C ATOM 170 O LEU A 13 7.181 -3.691 -0.480 1.00 0.00 O ATOM 171 CB LEU A 13 9.417 -4.686 1.158 1.00 0.00 C ATOM 172 CG LEU A 13 9.258 -3.468 2.071 1.00 0.00 C ATOM 173 CD1 LEU A 13 10.600 -2.767 2.288 1.00 0.00 C ATOM 174 CD2 LEU A 13 8.194 -2.512 1.528 1.00 0.00 C ATOM 0 H LEU A 13 10.024 -2.421 0.084 1.00 0.00 H new ATOM 0 HA LEU A 13 9.996 -5.242 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.587 -5.367 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.330 -5.210 1.440 1.00 0.00 H new ATOM 0 HG LEU A 13 8.914 -3.814 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.459 -1.905 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.302 -3.461 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.996 -2.435 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.100 -1.655 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.486 -2.169 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.237 -3.030 1.466 1.00 0.00 H new ATOM 185 N CYS A 14 7.991 -4.978 -2.154 1.00 0.00 N ATOM 186 CA CYS A 14 6.741 -4.995 -2.895 1.00 0.00 C ATOM 187 C CYS A 14 5.755 -5.897 -2.152 1.00 0.00 C ATOM 188 O CYS A 14 6.070 -7.046 -1.845 1.00 0.00 O ATOM 189 CB CYS A 14 6.949 -5.445 -4.343 1.00 0.00 C ATOM 190 SG CYS A 14 8.670 -5.106 -4.863 1.00 0.00 S ATOM 0 H CYS A 14 8.752 -5.501 -2.588 1.00 0.00 H new ATOM 0 HA CYS A 14 6.334 -3.985 -2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.736 -6.510 -4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.253 -4.922 -4.999 1.00 0.00 H new ATOM 0 HG CYS A 14 9.017 -3.918 -4.465 1.00 0.00 H new ATOM 195 N ILE A 15 4.581 -5.343 -1.885 1.00 0.00 N ATOM 196 CA ILE A 15 3.546 -6.084 -1.184 1.00 0.00 C ATOM 197 C ILE A 15 2.353 -6.293 -2.118 1.00 0.00 C ATOM 198 O ILE A 15 1.485 -5.427 -2.225 1.00 0.00 O ATOM 199 CB ILE A 15 3.185 -5.388 0.129 1.00 0.00 C ATOM 200 CG1 ILE A 15 4.052 -5.905 1.280 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.691 -5.525 0.430 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.539 -5.805 0.935 1.00 0.00 C ATOM 0 H ILE A 15 4.324 -4.390 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 15 3.909 -7.073 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 15 3.395 -4.324 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.845 -5.330 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.794 -6.942 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.461 -5.021 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.114 -5.071 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.432 -6.581 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.132 -6.179 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.747 -6.401 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.799 -4.764 0.743 1.00 0.00 H new ATOM 213 N ARG A 16 2.347 -7.446 -2.770 1.00 0.00 N ATOM 214 CA ARG A 16 1.274 -7.779 -3.692 1.00 0.00 C ATOM 215 C ARG A 16 0.176 -8.561 -2.968 1.00 0.00 C ATOM 216 O ARG A 16 0.286 -9.775 -2.793 1.00 0.00 O ATOM 217 CB ARG A 16 1.794 -8.610 -4.866 1.00 0.00 C ATOM 218 CG ARG A 16 1.592 -7.873 -6.192 1.00 0.00 C ATOM 219 CD ARG A 16 2.804 -8.054 -7.109 1.00 0.00 C ATOM 220 NE ARG A 16 2.481 -7.581 -8.473 1.00 0.00 N ATOM 221 CZ ARG A 16 2.413 -8.382 -9.557 1.00 0.00 C ATOM 222 NH1 ARG A 16 2.646 -9.707 -9.445 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.115 -7.852 -10.729 1.00 0.00 N ATOM 0 H ARG A 16 3.068 -8.162 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 16 0.866 -6.845 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.853 -8.825 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.275 -9.568 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.697 -8.248 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.430 -6.812 -6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.655 -7.499 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.095 -9.104 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 16 2.298 -6.586 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.875 -10.109 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.593 -10.306 -10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.940 -6.850 -10.806 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.060 -8.444 -11.557 1.00 0.00 H new ATOM 233 N LEU A 17 -0.857 -7.836 -2.567 1.00 0.00 N ATOM 234 CA LEU A 17 -1.974 -8.447 -1.866 1.00 0.00 C ATOM 235 C LEU A 17 -3.041 -8.863 -2.881 1.00 0.00 C ATOM 236 O LEU A 17 -3.395 -8.088 -3.768 1.00 0.00 O ATOM 237 CB LEU A 17 -2.496 -7.514 -0.772 1.00 0.00 C ATOM 238 CG LEU A 17 -3.885 -6.915 -1.007 1.00 0.00 C ATOM 239 CD1 LEU A 17 -4.981 -7.875 -0.539 1.00 0.00 C ATOM 240 CD2 LEU A 17 -4.008 -5.540 -0.349 1.00 0.00 C ATOM 0 H LEU A 17 -0.945 -6.830 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.652 -9.353 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.514 -8.064 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.786 -6.696 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.018 -6.771 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.958 -7.426 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.906 -8.811 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.861 -8.073 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.004 -5.137 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.846 -5.635 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.262 -4.867 -0.771 1.00 0.00 H new ATOM 251 N THR A 18 -3.525 -10.086 -2.715 1.00 0.00 N ATOM 252 CA THR A 18 -4.544 -10.614 -3.605 1.00 0.00 C ATOM 253 C THR A 18 -5.734 -11.139 -2.801 1.00 0.00 C ATOM 254 O THR A 18 -5.609 -12.116 -2.065 1.00 0.00 O ATOM 255 CB THR A 18 -3.893 -11.677 -4.492 1.00 0.00 C ATOM 256 OG1 THR A 18 -2.947 -12.311 -3.635 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.039 -11.069 -5.606 1.00 0.00 C ATOM 0 H THR A 18 -3.230 -10.726 -1.977 1.00 0.00 H new ATOM 0 HA THR A 18 -4.947 -9.834 -4.251 1.00 0.00 H new ATOM 0 HB THR A 18 -4.667 -12.306 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.479 -13.016 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.601 -11.867 -6.205 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.663 -10.440 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.244 -10.466 -5.167 1.00 0.00 H new ATOM 265 N GLY A 19 -6.864 -10.466 -2.967 1.00 0.00 N ATOM 266 CA GLY A 19 -8.076 -10.852 -2.266 1.00 0.00 C ATOM 267 C GLY A 19 -9.079 -9.698 -2.228 1.00 0.00 C ATOM 268 O GLY A 19 -9.485 -9.188 -3.271 1.00 0.00 O ATOM 0 H GLY A 19 -6.965 -9.655 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.526 -11.714 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.830 -11.158 -1.249 1.00 0.00 H new ATOM 272 N GLU A 20 -9.450 -9.317 -1.013 1.00 0.00 N ATOM 273 CA GLU A 20 -10.397 -8.232 -0.825 1.00 0.00 C ATOM 274 C GLU A 20 -9.799 -7.157 0.084 1.00 0.00 C ATOM 275 O GLU A 20 -8.813 -7.403 0.776 1.00 0.00 O ATOM 276 CB GLU A 20 -11.721 -8.753 -0.261 1.00 0.00 C ATOM 277 CG GLU A 20 -12.802 -8.790 -1.345 1.00 0.00 C ATOM 278 CD GLU A 20 -13.111 -10.229 -1.761 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.275 -10.882 -2.403 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.267 -10.667 -1.392 1.00 0.00 O ATOM 0 H GLU A 20 -9.111 -9.741 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.604 -7.784 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.578 -9.753 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.047 -8.115 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.709 -8.312 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.471 -8.220 -2.213 1.00 0.00 H new ATOM 286 N LEU A 21 -10.421 -5.988 0.052 1.00 0.00 N ATOM 287 CA LEU A 21 -9.962 -4.874 0.864 1.00 0.00 C ATOM 288 C LEU A 21 -11.062 -4.482 1.853 1.00 0.00 C ATOM 289 O LEU A 21 -11.815 -3.540 1.608 1.00 0.00 O ATOM 290 CB LEU A 21 -9.495 -3.719 -0.025 1.00 0.00 C ATOM 291 CG LEU A 21 -7.981 -3.563 -0.181 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.252 -3.975 1.101 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.473 -4.334 -1.400 1.00 0.00 C ATOM 0 H LEU A 21 -11.239 -5.788 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.092 -5.165 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.931 -3.850 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.896 -2.790 0.380 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.763 -2.509 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.177 -3.855 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.585 -3.346 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.474 -5.018 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.394 -4.206 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.705 -5.393 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.958 -3.953 -2.299 1.00 0.00 H new ATOM 304 N ASP A 22 -11.121 -5.225 2.949 1.00 0.00 N ATOM 305 CA ASP A 22 -12.117 -4.967 3.975 1.00 0.00 C ATOM 306 C ASP A 22 -11.491 -5.191 5.354 1.00 0.00 C ATOM 307 O ASP A 22 -10.361 -5.667 5.456 1.00 0.00 O ATOM 308 CB ASP A 22 -13.308 -5.917 3.837 1.00 0.00 C ATOM 309 CG ASP A 22 -12.946 -7.400 3.749 1.00 0.00 C ATOM 310 OD1 ASP A 22 -11.963 -7.855 4.351 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.733 -8.110 3.012 1.00 0.00 O ATOM 0 H ASP A 22 -10.495 -6.005 3.149 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.461 -3.939 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.971 -5.770 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.871 -5.642 2.945 1.00 0.00 H new ATOM 316 N HIS A 23 -12.252 -4.837 6.378 1.00 0.00 N ATOM 317 CA HIS A 23 -11.787 -4.994 7.746 1.00 0.00 C ATOM 318 C HIS A 23 -11.230 -6.405 7.940 1.00 0.00 C ATOM 319 O HIS A 23 -10.395 -6.632 8.814 1.00 0.00 O ATOM 320 CB HIS A 23 -12.899 -4.652 8.740 1.00 0.00 C ATOM 321 CG HIS A 23 -13.776 -5.826 9.107 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.717 -6.449 10.341 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.733 -6.480 8.389 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.602 -7.435 10.354 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.231 -7.453 9.144 1.00 0.00 N ATOM 0 H HIS A 23 -13.188 -4.442 6.288 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.976 -4.292 7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.450 -4.249 9.648 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.522 -3.864 8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.035 -6.247 7.379 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.792 -8.107 11.178 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.963 -8.106 8.865 1.00 0.00 H new ATOM 332 N HIS A 24 -11.716 -7.317 7.112 1.00 0.00 N ATOM 333 CA HIS A 24 -11.278 -8.701 7.181 1.00 0.00 C ATOM 334 C HIS A 24 -9.903 -8.837 6.522 1.00 0.00 C ATOM 335 O HIS A 24 -8.993 -9.437 7.094 1.00 0.00 O ATOM 336 CB HIS A 24 -12.323 -9.635 6.568 1.00 0.00 C ATOM 337 CG HIS A 24 -13.508 -9.901 7.466 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.515 -10.904 8.420 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.724 -9.287 7.543 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.686 -10.884 9.039 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.435 -9.882 8.494 1.00 0.00 N ATOM 0 H HIS A 24 -12.409 -7.125 6.389 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.176 -9.001 8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.678 -9.203 5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.847 -10.584 6.320 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.749 -11.549 8.613 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.053 -8.458 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.994 -11.545 9.836 1.00 0.00 H new ATOM 348 N THR A 25 -9.795 -8.271 5.330 1.00 0.00 N ATOM 349 CA THR A 25 -8.547 -8.322 4.587 1.00 0.00 C ATOM 350 C THR A 25 -7.551 -7.305 5.149 1.00 0.00 C ATOM 351 O THR A 25 -6.350 -7.571 5.199 1.00 0.00 O ATOM 352 CB THR A 25 -8.868 -8.102 3.108 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.101 -6.700 3.007 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.201 -8.732 2.698 1.00 0.00 C ATOM 0 H THR A 25 -10.551 -7.774 4.859 1.00 0.00 H new ATOM 0 HA THR A 25 -8.065 -9.294 4.689 1.00 0.00 H new ATOM 0 HB THR A 25 -8.067 -8.518 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.247 -6.234 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.381 -8.547 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.166 -9.807 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.007 -8.292 3.285 1.00 0.00 H new ATOM 362 N ALA A 26 -8.084 -6.165 5.558 1.00 0.00 N ATOM 363 CA ALA A 26 -7.257 -5.109 6.115 1.00 0.00 C ATOM 364 C ALA A 26 -6.482 -5.653 7.318 1.00 0.00 C ATOM 365 O ALA A 26 -5.454 -5.097 7.702 1.00 0.00 O ATOM 366 CB ALA A 26 -8.135 -3.911 6.482 1.00 0.00 C ATOM 0 H ALA A 26 -9.080 -5.949 5.515 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.528 -4.766 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.514 -3.119 6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.640 -3.543 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.878 -4.216 7.219 1.00 0.00 H new ATOM 372 N GLU A 27 -7.006 -6.734 7.878 1.00 0.00 N ATOM 373 CA GLU A 27 -6.377 -7.359 9.028 1.00 0.00 C ATOM 374 C GLU A 27 -4.915 -7.690 8.720 1.00 0.00 C ATOM 375 O GLU A 27 -4.021 -7.348 9.493 1.00 0.00 O ATOM 376 CB GLU A 27 -7.143 -8.612 9.459 1.00 0.00 C ATOM 377 CG GLU A 27 -7.341 -8.640 10.976 1.00 0.00 C ATOM 378 CD GLU A 27 -8.668 -7.986 11.368 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.654 -8.692 11.627 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.652 -6.697 11.399 1.00 0.00 O ATOM 0 H GLU A 27 -7.859 -7.192 7.556 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.402 -6.653 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.113 -8.639 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.598 -9.502 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.321 -9.671 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.517 -8.119 11.464 1.00 0.00 H new ATOM 386 N THR A 28 -4.718 -8.350 7.589 1.00 0.00 N ATOM 387 CA THR A 28 -3.380 -8.731 7.169 1.00 0.00 C ATOM 388 C THR A 28 -2.408 -7.565 7.362 1.00 0.00 C ATOM 389 O THR A 28 -1.303 -7.750 7.871 1.00 0.00 O ATOM 390 CB THR A 28 -3.460 -9.220 5.721 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.553 -10.319 5.675 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.876 -8.214 4.728 1.00 0.00 C ATOM 0 H THR A 28 -5.462 -8.631 6.950 1.00 0.00 H new ATOM 0 HA THR A 28 -2.990 -9.544 7.782 1.00 0.00 H new ATOM 0 HB THR A 28 -4.500 -9.421 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.544 -10.698 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.958 -8.611 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.426 -7.275 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.827 -8.037 4.964 1.00 0.00 H new ATOM 400 N LEU A 29 -2.855 -6.389 6.947 1.00 0.00 N ATOM 401 CA LEU A 29 -2.039 -5.193 7.068 1.00 0.00 C ATOM 402 C LEU A 29 -1.969 -4.776 8.539 1.00 0.00 C ATOM 403 O LEU A 29 -0.989 -4.169 8.970 1.00 0.00 O ATOM 404 CB LEU A 29 -2.559 -4.092 6.141 1.00 0.00 C ATOM 405 CG LEU A 29 -1.494 -3.262 5.423 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.356 -4.149 4.915 1.00 0.00 C ATOM 407 CD2 LEU A 29 -2.114 -2.426 4.301 1.00 0.00 C ATOM 0 H LEU A 29 -3.772 -6.239 6.526 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.018 -5.394 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.202 -4.551 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.184 -3.417 6.726 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.062 -2.566 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.387 -3.533 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.110 -4.661 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.753 -4.886 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.335 -1.845 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.590 -3.086 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.859 -1.750 4.720 1.00 0.00 H new ATOM 418 N LYS A 30 -3.020 -5.117 9.269 1.00 0.00 N ATOM 419 CA LYS A 30 -3.091 -4.786 10.681 1.00 0.00 C ATOM 420 C LYS A 30 -1.811 -5.255 11.375 1.00 0.00 C ATOM 421 O LYS A 30 -1.230 -4.524 12.175 1.00 0.00 O ATOM 422 CB LYS A 30 -4.369 -5.352 11.302 1.00 0.00 C ATOM 423 CG LYS A 30 -4.829 -4.500 12.486 1.00 0.00 C ATOM 424 CD LYS A 30 -3.966 -4.764 13.721 1.00 0.00 C ATOM 425 CE LYS A 30 -3.951 -6.255 14.070 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.518 -6.455 15.471 1.00 0.00 N ATOM 0 H LYS A 30 -3.831 -5.620 8.908 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.151 -3.706 10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.157 -5.390 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.194 -6.376 11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.777 -3.444 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.872 -4.720 12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.948 -4.419 13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.350 -4.193 14.566 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.945 -6.678 13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.278 -6.786 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.513 -7.471 15.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.560 -6.069 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.175 -5.965 16.111 1.00 0.00 H new ATOM 435 N GLN A 31 -1.407 -6.473 11.043 1.00 0.00 N ATOM 436 CA GLN A 31 -0.207 -7.049 11.624 1.00 0.00 C ATOM 437 C GLN A 31 1.040 -6.409 11.008 1.00 0.00 C ATOM 438 O GLN A 31 2.036 -6.196 11.697 1.00 0.00 O ATOM 439 CB GLN A 31 -0.187 -8.568 11.448 1.00 0.00 C ATOM 440 CG GLN A 31 -0.422 -8.954 9.987 1.00 0.00 C ATOM 441 CD GLN A 31 -0.062 -10.422 9.743 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.067 -10.849 9.921 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.082 -11.166 9.326 1.00 0.00 N ATOM 0 H GLN A 31 -1.891 -7.077 10.378 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.209 -6.841 12.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.772 -8.964 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.955 -9.020 12.075 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.466 -8.784 9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.177 -8.316 9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.002 -10.744 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.945 -12.158 9.134 1.00 0.00 H new ATOM 450 N LYS A 32 0.942 -6.120 9.719 1.00 0.00 N ATOM 451 CA LYS A 32 2.050 -5.510 9.004 1.00 0.00 C ATOM 452 C LYS A 32 2.507 -4.256 9.753 1.00 0.00 C ATOM 453 O LYS A 32 3.624 -3.782 9.553 1.00 0.00 O ATOM 454 CB LYS A 32 1.666 -5.248 7.545 1.00 0.00 C ATOM 455 CG LYS A 32 2.819 -4.591 6.785 1.00 0.00 C ATOM 456 CD LYS A 32 3.951 -5.589 6.534 1.00 0.00 C ATOM 457 CE LYS A 32 4.972 -5.024 5.543 1.00 0.00 C ATOM 458 NZ LYS A 32 6.347 -5.360 5.970 1.00 0.00 N ATOM 0 H LYS A 32 0.113 -6.297 9.151 1.00 0.00 H new ATOM 0 HA LYS A 32 2.901 -6.190 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.396 -6.187 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.787 -4.605 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.456 -4.201 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.198 -3.742 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.446 -5.827 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.540 -6.521 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.785 -5.428 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.860 -3.942 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.028 -4.970 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.528 -4.954 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.454 -6.394 6.013 1.00 0.00 H new ATOM 467 N VAL A 33 1.620 -3.756 10.600 1.00 0.00 N ATOM 468 CA VAL A 33 1.917 -2.567 11.380 1.00 0.00 C ATOM 469 C VAL A 33 3.150 -2.828 12.249 1.00 0.00 C ATOM 470 O VAL A 33 4.159 -2.137 12.125 1.00 0.00 O ATOM 471 CB VAL A 33 0.689 -2.153 12.194 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.976 -0.896 13.017 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.526 -1.951 11.286 1.00 0.00 C ATOM 0 H VAL A 33 0.695 -4.153 10.763 1.00 0.00 H new ATOM 0 HA VAL A 33 2.152 -1.729 10.724 1.00 0.00 H new ATOM 0 HB VAL A 33 0.457 -2.961 12.888 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.087 -0.623 13.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.801 -1.091 13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.245 -0.077 12.349 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.386 -1.657 11.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.310 -1.170 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.749 -2.882 10.765 1.00 0.00 H new ATOM 483 N THR A 34 3.026 -3.829 13.109 1.00 0.00 N ATOM 484 CA THR A 34 4.117 -4.190 13.999 1.00 0.00 C ATOM 485 C THR A 34 5.386 -4.482 13.194 1.00 0.00 C ATOM 486 O THR A 34 6.482 -4.093 13.595 1.00 0.00 O ATOM 487 CB THR A 34 3.656 -5.369 14.857 1.00 0.00 C ATOM 488 OG1 THR A 34 4.871 -5.976 15.292 1.00 0.00 O ATOM 489 CG2 THR A 34 2.969 -6.460 14.033 1.00 0.00 C ATOM 0 H THR A 34 2.187 -4.401 13.208 1.00 0.00 H new ATOM 0 HA THR A 34 4.375 -3.367 14.665 1.00 0.00 H new ATOM 0 HB THR A 34 2.973 -5.012 15.628 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.666 -6.750 15.857 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.662 -7.273 14.690 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.092 -6.043 13.537 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.663 -6.842 13.284 1.00 0.00 H new ATOM 497 N GLN A 35 5.194 -5.164 12.075 1.00 0.00 N ATOM 498 CA GLN A 35 6.310 -5.512 11.211 1.00 0.00 C ATOM 499 C GLN A 35 6.999 -4.247 10.698 1.00 0.00 C ATOM 500 O GLN A 35 8.228 -4.161 10.699 1.00 0.00 O ATOM 501 CB GLN A 35 5.848 -6.395 10.049 1.00 0.00 C ATOM 502 CG GLN A 35 5.328 -7.741 10.556 1.00 0.00 C ATOM 503 CD GLN A 35 4.124 -8.207 9.735 1.00 0.00 C ATOM 504 OE1 GLN A 35 4.244 -8.650 8.604 1.00 0.00 O ATOM 505 NE2 GLN A 35 2.959 -8.082 10.364 1.00 0.00 N ATOM 0 H GLN A 35 4.283 -5.485 11.746 1.00 0.00 H new ATOM 0 HA GLN A 35 7.032 -6.083 11.794 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.063 -5.885 9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.676 -6.558 9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.122 -8.486 10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.046 -7.654 11.605 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.929 -7.703 11.311 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.096 -8.365 9.900 1.00 0.00 H new ATOM 512 N SER A 36 6.181 -3.296 10.274 1.00 0.00 N ATOM 513 CA SER A 36 6.697 -2.038 9.759 1.00 0.00 C ATOM 514 C SER A 36 7.159 -1.150 10.916 1.00 0.00 C ATOM 515 O SER A 36 8.027 -0.297 10.741 1.00 0.00 O ATOM 516 CB SER A 36 5.644 -1.313 8.920 1.00 0.00 C ATOM 517 OG SER A 36 6.210 -0.712 7.758 1.00 0.00 O ATOM 0 H SER A 36 5.164 -3.370 10.276 1.00 0.00 H new ATOM 0 HA SER A 36 7.548 -2.255 9.114 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.869 -2.019 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.162 -0.546 9.527 1.00 0.00 H new ATOM 0 HG SER A 36 6.404 0.231 7.939 1.00 0.00 H new ATOM 522 N LEU A 37 6.557 -1.380 12.074 1.00 0.00 N ATOM 523 CA LEU A 37 6.896 -0.611 13.260 1.00 0.00 C ATOM 524 C LEU A 37 8.417 -0.571 13.419 1.00 0.00 C ATOM 525 O LEU A 37 8.972 0.439 13.847 1.00 0.00 O ATOM 526 CB LEU A 37 6.164 -1.165 14.484 1.00 0.00 C ATOM 527 CG LEU A 37 5.174 -0.214 15.160 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.811 -0.706 16.562 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.713 1.218 15.177 1.00 0.00 C ATOM 0 H LEU A 37 5.837 -2.088 12.216 1.00 0.00 H new ATOM 0 HA LEU A 37 6.559 0.420 13.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.627 -2.065 14.185 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.908 -1.468 15.221 1.00 0.00 H new ATOM 0 HG LEU A 37 4.255 -0.205 14.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.106 -0.012 17.020 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.355 -1.694 16.494 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.712 -0.763 17.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.990 1.873 15.663 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.654 1.246 15.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.879 1.556 14.154 1.00 0.00 H new ATOM 540 N GLU A 38 9.047 -1.682 13.067 1.00 0.00 N ATOM 541 CA GLU A 38 10.493 -1.786 13.165 1.00 0.00 C ATOM 542 C GLU A 38 11.005 -2.920 12.275 1.00 0.00 C ATOM 543 O GLU A 38 11.309 -4.007 12.763 1.00 0.00 O ATOM 544 CB GLU A 38 10.930 -1.988 14.617 1.00 0.00 C ATOM 545 CG GLU A 38 10.937 -0.660 15.377 1.00 0.00 C ATOM 546 CD GLU A 38 11.689 0.417 14.594 1.00 0.00 C ATOM 547 OE1 GLU A 38 11.105 1.453 14.244 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.927 0.147 14.348 1.00 0.00 O ATOM 0 H GLU A 38 8.582 -2.518 12.713 1.00 0.00 H new ATOM 0 HA GLU A 38 10.930 -0.851 12.815 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.256 -2.689 15.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.926 -2.431 14.643 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.912 -0.335 15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.404 -0.798 16.352 1.00 0.00 H new ATOM 554 N LYS A 39 11.084 -2.629 10.985 1.00 0.00 N ATOM 555 CA LYS A 39 11.554 -3.610 10.023 1.00 0.00 C ATOM 556 C LYS A 39 13.039 -3.887 10.268 1.00 0.00 C ATOM 557 O LYS A 39 13.446 -5.041 10.393 1.00 0.00 O ATOM 558 CB LYS A 39 11.241 -3.155 8.596 1.00 0.00 C ATOM 559 CG LYS A 39 11.755 -4.169 7.572 1.00 0.00 C ATOM 560 CD LYS A 39 10.726 -5.274 7.330 1.00 0.00 C ATOM 561 CE LYS A 39 11.221 -6.614 7.877 1.00 0.00 C ATOM 562 NZ LYS A 39 10.970 -7.697 6.900 1.00 0.00 N ATOM 0 H LYS A 39 10.830 -1.726 10.584 1.00 0.00 H new ATOM 0 HA LYS A 39 11.027 -4.555 10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.165 -3.028 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.699 -2.183 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.977 -3.662 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.688 -4.607 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.783 -5.008 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.528 -5.364 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.287 -6.553 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.716 -6.839 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.312 -8.600 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.949 -7.765 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.472 -7.488 6.014 1.00 0.00 H new ATOM 571 N ASP A 40 13.807 -2.810 10.330 1.00 0.00 N ATOM 572 CA ASP A 40 15.238 -2.922 10.557 1.00 0.00 C ATOM 573 C ASP A 40 15.943 -1.709 9.948 1.00 0.00 C ATOM 574 O ASP A 40 16.099 -0.682 10.607 1.00 0.00 O ATOM 575 CB ASP A 40 15.803 -4.179 9.894 1.00 0.00 C ATOM 576 CG ASP A 40 15.890 -5.406 10.805 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.286 -5.307 11.975 1.00 0.00 O ATOM 578 OD2 ASP A 40 15.524 -6.517 10.259 1.00 0.00 O ATOM 0 H ASP A 40 13.465 -1.854 10.227 1.00 0.00 H new ATOM 0 HA ASP A 40 15.406 -2.975 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.183 -4.428 9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.800 -3.955 9.515 1.00 0.00 H new ATOM 583 N ASP A 41 16.352 -1.868 8.698 1.00 0.00 N ATOM 584 CA ASP A 41 17.037 -0.798 7.993 1.00 0.00 C ATOM 585 C ASP A 41 16.009 0.215 7.488 1.00 0.00 C ATOM 586 O ASP A 41 15.006 0.471 8.152 1.00 0.00 O ATOM 587 CB ASP A 41 17.803 -1.338 6.784 1.00 0.00 C ATOM 588 CG ASP A 41 19.046 -0.535 6.394 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.266 -0.234 5.211 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.815 -0.209 7.377 1.00 0.00 O ATOM 0 H ASP A 41 16.222 -2.722 8.155 1.00 0.00 H new ATOM 0 HA ASP A 41 17.738 -0.333 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.103 -2.365 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.127 -1.370 5.930 1.00 0.00 H new ATOM 595 N ILE A 42 16.292 0.764 6.315 1.00 0.00 N ATOM 596 CA ILE A 42 15.405 1.744 5.712 1.00 0.00 C ATOM 597 C ILE A 42 15.122 1.346 4.263 1.00 0.00 C ATOM 598 O ILE A 42 15.697 1.917 3.336 1.00 0.00 O ATOM 599 CB ILE A 42 15.980 3.154 5.864 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.534 3.789 7.183 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.621 4.024 4.658 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.039 3.572 7.418 1.00 0.00 C ATOM 0 H ILE A 42 17.124 0.548 5.766 1.00 0.00 H new ATOM 0 HA ILE A 42 14.446 1.760 6.230 1.00 0.00 H new ATOM 0 HB ILE A 42 17.067 3.079 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.102 3.359 8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.752 4.857 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.041 5.021 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.029 3.576 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.537 4.096 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.748 4.033 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.473 4.025 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.828 2.503 7.456 1.00 0.00 H new ATOM 613 N ARG A 43 14.240 0.371 4.111 1.00 0.00 N ATOM 614 CA ARG A 43 13.875 -0.109 2.788 1.00 0.00 C ATOM 615 C ARG A 43 12.834 0.816 2.156 1.00 0.00 C ATOM 616 O ARG A 43 12.655 1.949 2.599 1.00 0.00 O ATOM 617 CB ARG A 43 13.311 -1.530 2.854 1.00 0.00 C ATOM 618 CG ARG A 43 14.380 -2.563 2.492 1.00 0.00 C ATOM 619 CD ARG A 43 13.771 -3.737 1.724 1.00 0.00 C ATOM 620 NE ARG A 43 13.211 -4.726 2.672 1.00 0.00 N ATOM 621 CZ ARG A 43 13.959 -5.535 3.452 1.00 0.00 C ATOM 622 NH1 ARG A 43 15.308 -5.478 3.403 1.00 0.00 N ATOM 623 NH2 ARG A 43 13.353 -6.382 4.263 1.00 0.00 N ATOM 0 H ARG A 43 13.766 -0.101 4.882 1.00 0.00 H new ATOM 0 HA ARG A 43 14.778 -0.116 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.933 -1.729 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.466 -1.622 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.156 -2.092 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.860 -2.928 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.988 -3.378 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.531 -4.208 1.101 1.00 0.00 H new ATOM 0 HE ARG A 43 12.196 -4.801 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.768 -4.820 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.866 -6.093 3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.334 -6.418 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.904 -7.000 4.859 1.00 0.00 H new ATOM 633 N HIS A 44 12.175 0.299 1.128 1.00 0.00 N ATOM 634 CA HIS A 44 11.157 1.066 0.431 1.00 0.00 C ATOM 635 C HIS A 44 9.866 0.249 0.348 1.00 0.00 C ATOM 636 O HIS A 44 9.887 -0.970 0.519 1.00 0.00 O ATOM 637 CB HIS A 44 11.662 1.517 -0.941 1.00 0.00 C ATOM 638 CG HIS A 44 12.723 2.590 -0.883 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.565 3.762 -0.163 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.957 2.656 -1.459 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.660 4.493 -0.309 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.521 3.806 -1.113 1.00 0.00 N ATOM 0 H HIS A 44 12.327 -0.641 0.762 1.00 0.00 H new ATOM 0 HA HIS A 44 10.935 1.975 0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.062 0.653 -1.471 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.818 1.886 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.400 1.900 -2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.839 5.463 0.131 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.446 4.124 -1.401 1.00 0.00 H new ATOM 649 N ILE A 45 8.775 0.951 0.086 1.00 0.00 N ATOM 650 CA ILE A 45 7.477 0.306 -0.022 1.00 0.00 C ATOM 651 C ILE A 45 7.095 0.181 -1.498 1.00 0.00 C ATOM 652 O ILE A 45 7.575 0.946 -2.334 1.00 0.00 O ATOM 653 CB ILE A 45 6.439 1.048 0.821 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.604 1.993 -0.045 1.00 0.00 C ATOM 655 CG2 ILE A 45 7.101 1.778 1.992 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.471 2.679 -1.102 1.00 0.00 C ATOM 0 H ILE A 45 8.762 1.961 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 45 7.519 -0.705 0.383 1.00 0.00 H new ATOM 0 HB ILE A 45 5.756 0.312 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.805 1.435 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.129 2.745 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.340 2.297 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.614 1.056 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.821 2.501 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.852 3.345 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.255 3.256 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.925 1.925 -1.746 1.00 0.00 H new ATOM 667 N VAL A 46 6.235 -0.788 -1.774 1.00 0.00 N ATOM 668 CA VAL A 46 5.784 -1.023 -3.135 1.00 0.00 C ATOM 669 C VAL A 46 4.481 -1.825 -3.105 1.00 0.00 C ATOM 670 O VAL A 46 4.500 -3.050 -3.213 1.00 0.00 O ATOM 671 CB VAL A 46 6.888 -1.708 -3.943 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.300 -2.707 -4.940 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.767 -0.677 -4.653 1.00 0.00 C ATOM 0 H VAL A 46 5.838 -1.420 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 46 5.573 -0.078 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 46 7.517 -2.262 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.107 -3.179 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.737 -3.470 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.636 -2.185 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.544 -1.190 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.155 -0.083 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.230 -0.023 -3.914 1.00 0.00 H new ATOM 683 N LEU A 47 3.381 -1.102 -2.957 1.00 0.00 N ATOM 684 CA LEU A 47 2.073 -1.731 -2.910 1.00 0.00 C ATOM 685 C LEU A 47 1.594 -2.009 -4.337 1.00 0.00 C ATOM 686 O LEU A 47 1.996 -1.322 -5.274 1.00 0.00 O ATOM 687 CB LEU A 47 1.099 -0.882 -2.090 1.00 0.00 C ATOM 688 CG LEU A 47 1.407 -0.764 -0.596 1.00 0.00 C ATOM 689 CD1 LEU A 47 1.179 -2.098 0.118 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.821 -0.227 -0.369 1.00 0.00 C ATOM 0 H LEU A 47 3.369 -0.086 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 47 2.131 -2.692 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.074 0.121 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.099 -1.301 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 47 0.715 -0.043 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.405 -1.986 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.139 -2.401 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.830 -2.858 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.015 -0.153 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.545 -0.904 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.913 0.759 -0.824 1.00 0.00 H new ATOM 701 N ASN A 48 0.742 -3.017 -4.455 1.00 0.00 N ATOM 702 CA ASN A 48 0.204 -3.394 -5.751 1.00 0.00 C ATOM 703 C ASN A 48 -0.794 -4.539 -5.571 1.00 0.00 C ATOM 704 O ASN A 48 -0.402 -5.674 -5.303 1.00 0.00 O ATOM 705 CB ASN A 48 1.314 -3.878 -6.688 1.00 0.00 C ATOM 706 CG ASN A 48 2.427 -4.575 -5.904 1.00 0.00 C ATOM 707 OD1 ASN A 48 2.275 -4.940 -4.750 1.00 0.00 O ATOM 708 ND2 ASN A 48 3.552 -4.742 -6.595 1.00 0.00 N ATOM 0 H ASN A 48 0.411 -3.584 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.278 -2.517 -6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.899 -4.565 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.726 -3.032 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.354 -5.200 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.612 -4.413 -7.558 1.00 0.00 H new ATOM 714 N LEU A 49 -2.066 -4.201 -5.725 1.00 0.00 N ATOM 715 CA LEU A 49 -3.124 -5.186 -5.582 1.00 0.00 C ATOM 716 C LEU A 49 -3.675 -5.542 -6.965 1.00 0.00 C ATOM 717 O LEU A 49 -4.154 -4.670 -7.689 1.00 0.00 O ATOM 718 CB LEU A 49 -4.191 -4.689 -4.606 1.00 0.00 C ATOM 719 CG LEU A 49 -5.610 -4.567 -5.166 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.624 -5.245 -4.243 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.968 -3.106 -5.437 1.00 0.00 C ATOM 0 H LEU A 49 -2.387 -3.259 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.731 -6.105 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.216 -5.365 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.885 -3.712 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.646 -5.089 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.624 -5.144 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.377 -6.302 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.594 -4.773 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.981 -3.047 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.909 -2.539 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.269 -2.689 -6.162 1.00 0.00 H new ATOM 732 N GLU A 50 -3.586 -6.823 -7.291 1.00 0.00 N ATOM 733 CA GLU A 50 -4.069 -7.303 -8.575 1.00 0.00 C ATOM 734 C GLU A 50 -5.450 -7.943 -8.417 1.00 0.00 C ATOM 735 O GLU A 50 -6.205 -8.046 -9.382 1.00 0.00 O ATOM 736 CB GLU A 50 -3.079 -8.287 -9.200 1.00 0.00 C ATOM 737 CG GLU A 50 -2.648 -7.822 -10.592 1.00 0.00 C ATOM 738 CD GLU A 50 -1.693 -6.631 -10.502 1.00 0.00 C ATOM 739 OE1 GLU A 50 -1.683 -5.920 -9.486 1.00 0.00 O ATOM 740 OE2 GLU A 50 -0.941 -6.454 -11.535 1.00 0.00 O ATOM 0 H GLU A 50 -3.187 -7.543 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.159 -6.451 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.203 -8.384 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.536 -9.274 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.162 -8.643 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.526 -7.545 -11.175 1.00 0.00 H new ATOM 746 N ASP A 51 -5.740 -8.354 -7.191 1.00 0.00 N ATOM 747 CA ASP A 51 -7.017 -8.981 -6.894 1.00 0.00 C ATOM 748 C ASP A 51 -7.912 -7.980 -6.160 1.00 0.00 C ATOM 749 O ASP A 51 -8.210 -8.157 -4.979 1.00 0.00 O ATOM 750 CB ASP A 51 -6.835 -10.202 -5.992 1.00 0.00 C ATOM 751 CG ASP A 51 -8.134 -10.837 -5.492 1.00 0.00 C ATOM 752 OD1 ASP A 51 -8.125 -11.918 -4.885 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.204 -10.166 -5.753 1.00 0.00 O ATOM 0 H ASP A 51 -5.112 -8.265 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.467 -9.294 -7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.266 -10.956 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.235 -9.911 -5.130 1.00 0.00 H new ATOM 758 N LEU A 52 -8.316 -6.951 -6.890 1.00 0.00 N ATOM 759 CA LEU A 52 -9.171 -5.921 -6.322 1.00 0.00 C ATOM 760 C LEU A 52 -10.633 -6.248 -6.638 1.00 0.00 C ATOM 761 O LEU A 52 -10.996 -6.423 -7.799 1.00 0.00 O ATOM 762 CB LEU A 52 -8.733 -4.537 -6.802 1.00 0.00 C ATOM 763 CG LEU A 52 -9.654 -3.374 -6.427 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.060 -3.583 -6.994 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.674 -3.157 -4.913 1.00 0.00 C ATOM 0 H LEU A 52 -8.068 -6.808 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.075 -5.901 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.741 -4.332 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.638 -4.564 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.257 -2.465 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.694 -2.742 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.008 -3.651 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.481 -4.505 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.336 -2.325 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.034 -4.060 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.666 -2.931 -4.565 1.00 0.00 H new ATOM 776 N SER A 53 -11.431 -6.319 -5.582 1.00 0.00 N ATOM 777 CA SER A 53 -12.843 -6.622 -5.732 1.00 0.00 C ATOM 778 C SER A 53 -13.676 -5.675 -4.865 1.00 0.00 C ATOM 779 O SER A 53 -14.085 -4.608 -5.321 1.00 0.00 O ATOM 780 CB SER A 53 -13.139 -8.077 -5.362 1.00 0.00 C ATOM 781 OG SER A 53 -14.504 -8.271 -5.003 1.00 0.00 O ATOM 0 H SER A 53 -11.126 -6.172 -4.620 1.00 0.00 H new ATOM 0 HA SER A 53 -13.113 -6.480 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.891 -8.723 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.500 -8.377 -4.531 1.00 0.00 H new ATOM 0 HG SER A 53 -14.652 -9.213 -4.776 1.00 0.00 H new ATOM 786 N PHE A 54 -13.903 -6.099 -3.630 1.00 0.00 N ATOM 787 CA PHE A 54 -14.679 -5.303 -2.696 1.00 0.00 C ATOM 788 C PHE A 54 -14.047 -3.924 -2.495 1.00 0.00 C ATOM 789 O PHE A 54 -14.620 -2.911 -2.890 1.00 0.00 O ATOM 790 CB PHE A 54 -14.678 -6.051 -1.362 1.00 0.00 C ATOM 791 CG PHE A 54 -15.367 -5.295 -0.224 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.699 -5.031 -0.291 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.647 -4.888 0.856 1.00 0.00 C ATOM 794 CE1 PHE A 54 -17.338 -4.329 0.765 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.286 -4.186 1.912 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.617 -3.921 1.844 1.00 0.00 C ATOM 0 H PHE A 54 -13.562 -6.984 -3.255 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.689 -5.158 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.172 -7.013 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.647 -6.259 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.271 -5.355 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.589 -5.099 0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.396 -4.119 0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.714 -3.863 2.769 1.00 0.00 H new ATOM 0 HZ PHE A 54 -17.103 -3.386 2.647 1.00 0.00 H new ATOM 805 N MET A 55 -12.874 -3.930 -1.877 1.00 0.00 N ATOM 806 CA MET A 55 -12.157 -2.693 -1.618 1.00 0.00 C ATOM 807 C MET A 55 -13.119 -1.582 -1.192 1.00 0.00 C ATOM 808 O MET A 55 -13.681 -0.884 -2.034 1.00 0.00 O ATOM 809 CB MET A 55 -11.408 -2.262 -2.881 1.00 0.00 C ATOM 810 CG MET A 55 -11.566 -0.761 -3.127 1.00 0.00 C ATOM 811 SD MET A 55 -12.995 -0.456 -4.153 1.00 0.00 S ATOM 812 CE MET A 55 -13.039 -1.981 -5.082 1.00 0.00 C ATOM 0 H MET A 55 -12.403 -4.773 -1.548 1.00 0.00 H new ATOM 0 HA MET A 55 -11.450 -2.868 -0.807 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.351 -2.509 -2.783 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.787 -2.817 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.672 -0.238 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.671 -0.367 -3.609 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.208 -1.760 -6.136 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.089 -2.504 -4.968 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.847 -2.611 -4.709 1.00 0.00 H new ATOM 820 N ASP A 56 -13.279 -1.454 0.118 1.00 0.00 N ATOM 821 CA ASP A 56 -14.163 -0.439 0.667 1.00 0.00 C ATOM 822 C ASP A 56 -13.359 0.496 1.571 1.00 0.00 C ATOM 823 O ASP A 56 -12.154 0.662 1.385 1.00 0.00 O ATOM 824 CB ASP A 56 -15.272 -1.073 1.509 1.00 0.00 C ATOM 825 CG ASP A 56 -16.585 -0.289 1.545 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.999 0.217 2.599 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.202 -0.205 0.415 1.00 0.00 O ATOM 0 H ASP A 56 -12.812 -2.035 0.814 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.608 0.107 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.474 -2.073 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.909 -1.192 2.530 1.00 0.00 H new ATOM 832 N SER A 57 -14.057 1.085 2.532 1.00 0.00 N ATOM 833 CA SER A 57 -13.423 1.999 3.465 1.00 0.00 C ATOM 834 C SER A 57 -13.125 1.280 4.782 1.00 0.00 C ATOM 835 O SER A 57 -13.175 1.887 5.851 1.00 0.00 O ATOM 836 CB SER A 57 -14.302 3.226 3.718 1.00 0.00 C ATOM 837 OG SER A 57 -15.307 2.970 4.696 1.00 0.00 O ATOM 0 H SER A 57 -15.056 0.946 2.684 1.00 0.00 H new ATOM 0 HA SER A 57 -12.486 2.341 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.678 4.057 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.774 3.533 2.785 1.00 0.00 H new ATOM 0 HG SER A 57 -14.883 2.716 5.542 1.00 0.00 H new ATOM 842 N SER A 58 -12.821 -0.004 4.662 1.00 0.00 N ATOM 843 CA SER A 58 -12.515 -0.814 5.830 1.00 0.00 C ATOM 844 C SER A 58 -11.011 -0.780 6.109 1.00 0.00 C ATOM 845 O SER A 58 -10.592 -0.548 7.243 1.00 0.00 O ATOM 846 CB SER A 58 -12.986 -2.256 5.639 1.00 0.00 C ATOM 847 OG SER A 58 -13.902 -2.379 4.554 1.00 0.00 O ATOM 0 H SER A 58 -12.780 -0.504 3.774 1.00 0.00 H new ATOM 0 HA SER A 58 -13.047 -0.397 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.124 -2.898 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.460 -2.607 6.556 1.00 0.00 H new ATOM 0 HG SER A 58 -14.415 -3.208 4.651 1.00 0.00 H new ATOM 852 N GLY A 59 -10.240 -1.015 5.058 1.00 0.00 N ATOM 853 CA GLY A 59 -8.792 -1.014 5.176 1.00 0.00 C ATOM 854 C GLY A 59 -8.209 0.341 4.771 1.00 0.00 C ATOM 855 O GLY A 59 -7.002 0.556 4.868 1.00 0.00 O ATOM 0 H GLY A 59 -10.591 -1.208 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.507 -1.244 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.372 -1.798 4.546 1.00 0.00 H new ATOM 859 N LEU A 60 -9.094 1.220 4.324 1.00 0.00 N ATOM 860 CA LEU A 60 -8.683 2.549 3.905 1.00 0.00 C ATOM 861 C LEU A 60 -7.810 3.177 4.994 1.00 0.00 C ATOM 862 O LEU A 60 -6.778 3.777 4.699 1.00 0.00 O ATOM 863 CB LEU A 60 -9.901 3.394 3.530 1.00 0.00 C ATOM 864 CG LEU A 60 -9.733 4.316 2.321 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.173 5.677 2.743 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.874 3.653 1.242 1.00 0.00 C ATOM 0 H LEU A 60 -10.094 1.038 4.243 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.074 2.491 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.738 2.723 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.174 4.004 4.391 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.717 4.493 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.063 6.313 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.856 6.148 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.200 5.540 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.770 4.329 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.888 3.427 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.351 2.730 0.914 1.00 0.00 H new ATOM 877 N GLY A 61 -8.258 3.017 6.231 1.00 0.00 N ATOM 878 CA GLY A 61 -7.531 3.560 7.366 1.00 0.00 C ATOM 879 C GLY A 61 -6.340 2.672 7.730 1.00 0.00 C ATOM 880 O GLY A 61 -5.310 3.164 8.189 1.00 0.00 O ATOM 0 H GLY A 61 -9.115 2.519 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.181 4.565 7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.199 3.647 8.223 1.00 0.00 H new ATOM 884 N VAL A 62 -6.519 1.377 7.513 1.00 0.00 N ATOM 885 CA VAL A 62 -5.472 0.416 7.812 1.00 0.00 C ATOM 886 C VAL A 62 -4.268 0.679 6.905 1.00 0.00 C ATOM 887 O VAL A 62 -3.140 0.326 7.244 1.00 0.00 O ATOM 888 CB VAL A 62 -6.016 -1.009 7.684 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.477 -1.690 6.425 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.696 -1.832 8.933 1.00 0.00 C ATOM 0 H VAL A 62 -7.374 0.971 7.133 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.134 0.530 8.842 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.100 -0.947 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.879 -2.701 6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.779 -1.121 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.389 -1.734 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.094 -2.840 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.616 -1.881 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.150 -1.362 9.805 1.00 0.00 H new ATOM 900 N ILE A 63 -4.549 1.298 5.767 1.00 0.00 N ATOM 901 CA ILE A 63 -3.504 1.612 4.808 1.00 0.00 C ATOM 902 C ILE A 63 -2.897 2.974 5.152 1.00 0.00 C ATOM 903 O ILE A 63 -1.699 3.186 4.972 1.00 0.00 O ATOM 904 CB ILE A 63 -4.044 1.523 3.379 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.854 0.115 2.809 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.413 2.593 2.486 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.200 -0.515 2.446 1.00 0.00 C ATOM 0 H ILE A 63 -5.486 1.590 5.488 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.700 0.879 4.866 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.116 1.718 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.219 0.159 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.341 -0.511 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.814 2.507 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.642 3.581 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.332 2.454 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.037 -1.515 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.824 -0.580 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.700 0.100 1.698 1.00 0.00 H new ATOM 918 N LEU A 64 -3.751 3.862 5.638 1.00 0.00 N ATOM 919 CA LEU A 64 -3.313 5.197 6.008 1.00 0.00 C ATOM 920 C LEU A 64 -2.330 5.101 7.176 1.00 0.00 C ATOM 921 O LEU A 64 -1.281 5.744 7.164 1.00 0.00 O ATOM 922 CB LEU A 64 -4.518 6.097 6.290 1.00 0.00 C ATOM 923 CG LEU A 64 -4.585 7.400 5.490 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.359 7.201 4.185 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.166 8.534 6.336 1.00 0.00 C ATOM 0 H LEU A 64 -4.745 3.683 5.784 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.780 5.666 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.426 5.527 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.520 6.345 7.351 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.569 7.690 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.392 8.141 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.862 6.444 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.375 6.876 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.202 9.448 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.173 8.269 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.537 8.694 7.212 1.00 0.00 H new ATOM 936 N GLY A 65 -2.705 4.294 8.159 1.00 0.00 N ATOM 937 CA GLY A 65 -1.869 4.106 9.332 1.00 0.00 C ATOM 938 C GLY A 65 -0.605 3.316 8.984 1.00 0.00 C ATOM 939 O GLY A 65 0.404 3.415 9.682 1.00 0.00 O ATOM 0 H GLY A 65 -3.576 3.764 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.593 5.076 9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.431 3.579 10.103 1.00 0.00 H new ATOM 943 N ARG A 66 -0.702 2.551 7.908 1.00 0.00 N ATOM 944 CA ARG A 66 0.421 1.745 7.459 1.00 0.00 C ATOM 945 C ARG A 66 1.331 2.566 6.543 1.00 0.00 C ATOM 946 O ARG A 66 2.531 2.312 6.465 1.00 0.00 O ATOM 947 CB ARG A 66 -0.059 0.501 6.710 1.00 0.00 C ATOM 948 CG ARG A 66 0.148 -0.761 7.552 1.00 0.00 C ATOM 949 CD ARG A 66 -1.133 -1.138 8.297 1.00 0.00 C ATOM 950 NE ARG A 66 -1.599 0.004 9.115 1.00 0.00 N ATOM 951 CZ ARG A 66 -2.589 -0.073 10.029 1.00 0.00 C ATOM 952 NH1 ARG A 66 -3.229 -1.242 10.248 1.00 0.00 N ATOM 953 NH2 ARG A 66 -2.923 1.010 10.703 1.00 0.00 N ATOM 0 H ARG A 66 -1.541 2.472 7.333 1.00 0.00 H new ATOM 0 HA ARG A 66 0.978 1.431 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.115 0.607 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.483 0.407 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.455 -1.586 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.954 -0.597 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.906 -1.425 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.951 -2.003 8.935 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.143 0.906 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.965 -2.074 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.976 -1.292 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.435 1.889 10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.669 0.969 11.397 1.00 0.00 H new ATOM 963 N TYR A 67 0.723 3.533 5.871 1.00 0.00 N ATOM 964 CA TYR A 67 1.464 4.392 4.963 1.00 0.00 C ATOM 965 C TYR A 67 2.625 5.080 5.683 1.00 0.00 C ATOM 966 O TYR A 67 3.758 5.058 5.204 1.00 0.00 O ATOM 967 CB TYR A 67 0.472 5.455 4.487 1.00 0.00 C ATOM 968 CG TYR A 67 0.746 5.972 3.072 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.423 5.194 1.980 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.314 7.216 2.890 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.680 5.680 0.648 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.571 7.702 1.560 1.00 0.00 C ATOM 973 CZ TYR A 67 1.241 6.910 0.504 1.00 0.00 C ATOM 974 OH TYR A 67 1.484 7.369 -0.753 1.00 0.00 O ATOM 0 H TYR A 67 -0.274 3.740 5.937 1.00 0.00 H new ATOM 0 HA TYR A 67 1.883 3.812 4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.535 5.040 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.495 6.295 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.022 4.221 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.566 7.825 3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.433 5.081 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.016 8.674 1.404 1.00 0.00 H new ATOM 0 HH TYR A 67 1.141 6.726 -1.408 1.00 0.00 H new ATOM 983 N LYS A 68 2.303 5.676 6.822 1.00 0.00 N ATOM 984 CA LYS A 68 3.306 6.369 7.613 1.00 0.00 C ATOM 985 C LYS A 68 4.199 5.342 8.310 1.00 0.00 C ATOM 986 O LYS A 68 5.397 5.567 8.477 1.00 0.00 O ATOM 987 CB LYS A 68 2.642 7.358 8.573 1.00 0.00 C ATOM 988 CG LYS A 68 1.487 8.094 7.890 1.00 0.00 C ATOM 989 CD LYS A 68 2.007 9.235 7.013 1.00 0.00 C ATOM 990 CE LYS A 68 2.441 10.429 7.866 1.00 0.00 C ATOM 991 NZ LYS A 68 1.358 10.820 8.796 1.00 0.00 N ATOM 0 H LYS A 68 1.362 5.693 7.216 1.00 0.00 H new ATOM 0 HA LYS A 68 3.951 6.968 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.272 6.826 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.380 8.079 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.914 7.394 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.807 8.491 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.849 8.885 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.229 9.546 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.339 10.174 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.697 11.270 7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.443 11.831 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.436 10.642 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.433 10.262 9.670 1.00 0.00 H new ATOM 1000 N GLN A 69 3.583 4.235 8.699 1.00 0.00 N ATOM 1001 CA GLN A 69 4.307 3.172 9.375 1.00 0.00 C ATOM 1002 C GLN A 69 5.233 2.454 8.391 1.00 0.00 C ATOM 1003 O GLN A 69 6.245 1.879 8.792 1.00 0.00 O ATOM 1004 CB GLN A 69 3.343 2.188 10.040 1.00 0.00 C ATOM 1005 CG GLN A 69 3.800 1.848 11.460 1.00 0.00 C ATOM 1006 CD GLN A 69 3.278 2.877 12.466 1.00 0.00 C ATOM 1007 OE1 GLN A 69 3.424 4.076 12.299 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.661 2.341 13.515 1.00 0.00 N ATOM 0 H GLN A 69 2.590 4.051 8.559 1.00 0.00 H new ATOM 0 HA GLN A 69 4.918 3.616 10.161 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.342 2.618 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.281 1.276 9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.443 0.855 11.732 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.889 1.817 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.574 1.328 13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.275 2.943 14.242 1.00 0.00 H new ATOM 1090 N GLY A 75 11.048 4.949 3.604 1.00 0.00 N ATOM 1091 CA GLY A 75 11.536 6.125 2.905 1.00 0.00 C ATOM 1092 C GLY A 75 10.397 6.843 2.177 1.00 0.00 C ATOM 1093 O GLY A 75 10.142 8.021 2.424 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.005 6.806 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.304 5.834 2.188 1.00 0.00 H new ATOM 1097 N GLU A 76 9.743 6.102 1.293 1.00 0.00 N ATOM 1098 CA GLU A 76 8.637 6.653 0.528 1.00 0.00 C ATOM 1099 C GLU A 76 7.500 5.635 0.433 1.00 0.00 C ATOM 1100 O GLU A 76 7.741 4.429 0.393 1.00 0.00 O ATOM 1101 CB GLU A 76 9.099 7.092 -0.863 1.00 0.00 C ATOM 1102 CG GLU A 76 10.550 7.576 -0.832 1.00 0.00 C ATOM 1103 CD GLU A 76 10.656 8.946 -0.157 1.00 0.00 C ATOM 1104 OE1 GLU A 76 11.746 9.333 0.290 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.556 9.616 -0.106 1.00 0.00 O ATOM 0 H GLU A 76 9.958 5.126 1.090 1.00 0.00 H new ATOM 0 HA GLU A 76 8.265 7.537 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.004 6.260 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.453 7.890 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.167 6.854 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.939 7.636 -1.848 1.00 0.00 H new ATOM 1111 N MET A 77 6.282 6.157 0.397 1.00 0.00 N ATOM 1112 CA MET A 77 5.106 5.309 0.306 1.00 0.00 C ATOM 1113 C MET A 77 4.406 5.484 -1.042 1.00 0.00 C ATOM 1114 O MET A 77 4.022 6.594 -1.407 1.00 0.00 O ATOM 1115 CB MET A 77 4.136 5.660 1.435 1.00 0.00 C ATOM 1116 CG MET A 77 3.399 4.414 1.933 1.00 0.00 C ATOM 1117 SD MET A 77 2.651 3.556 0.557 1.00 0.00 S ATOM 1118 CE MET A 77 1.505 2.506 1.433 1.00 0.00 C ATOM 0 H MET A 77 6.085 7.157 0.429 1.00 0.00 H new ATOM 0 HA MET A 77 5.423 4.270 0.396 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.683 6.117 2.260 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.414 6.397 1.083 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.094 3.753 2.450 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.633 4.698 2.655 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.522 2.571 0.966 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.856 1.475 1.397 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.435 2.830 2.471 1.00 0.00 H new ATOM 1126 N VAL A 78 4.260 4.371 -1.747 1.00 0.00 N ATOM 1127 CA VAL A 78 3.613 4.388 -3.048 1.00 0.00 C ATOM 1128 C VAL A 78 2.544 3.295 -3.094 1.00 0.00 C ATOM 1129 O VAL A 78 2.615 2.319 -2.349 1.00 0.00 O ATOM 1130 CB VAL A 78 4.660 4.249 -4.154 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.047 4.533 -5.527 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.861 5.158 -3.891 1.00 0.00 C ATOM 0 H VAL A 78 4.579 3.452 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 78 3.110 5.341 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 78 5.015 3.218 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.812 4.427 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.240 3.826 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.651 5.548 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.590 5.039 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.530 6.196 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.320 4.888 -2.940 1.00 0.00 H new ATOM 1142 N VAL A 79 1.577 3.496 -3.977 1.00 0.00 N ATOM 1143 CA VAL A 79 0.494 2.538 -4.131 1.00 0.00 C ATOM 1144 C VAL A 79 0.010 2.552 -5.582 1.00 0.00 C ATOM 1145 O VAL A 79 -0.148 3.617 -6.178 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.620 2.843 -3.127 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.422 1.583 -2.799 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -0.054 3.479 -1.856 1.00 0.00 C ATOM 0 H VAL A 79 1.520 4.307 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 79 0.843 1.528 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.298 3.561 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.207 1.827 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.872 1.190 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.760 0.832 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.867 3.686 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.656 2.795 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.452 4.410 -2.110 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.212 1.357 -6.109 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.674 1.217 -7.480 1.00 0.00 C ATOM 1160 C CYS A 80 -1.762 0.141 -7.512 1.00 0.00 C ATOM 1161 O CYS A 80 -2.209 -0.326 -6.466 1.00 0.00 O ATOM 1162 CB CYS A 80 0.476 0.894 -8.434 1.00 0.00 C ATOM 1163 SG CYS A 80 1.164 -0.757 -8.052 1.00 0.00 S ATOM 0 H CYS A 80 -0.081 0.476 -5.611 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.090 2.164 -7.825 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.122 0.920 -9.465 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.256 1.651 -8.346 1.00 0.00 H new ATOM 0 HG CYS A 80 1.472 -0.817 -6.790 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.156 -0.220 -8.725 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.183 -1.231 -8.908 1.00 0.00 C ATOM 1170 C ALA A 81 -4.546 -0.641 -8.541 1.00 0.00 C ATOM 1171 O ALA A 81 -5.421 -1.350 -8.046 1.00 0.00 O ATOM 1172 CB ALA A 81 -2.838 -2.465 -8.070 1.00 0.00 C ATOM 0 H ALA A 81 -1.782 0.170 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.230 -1.546 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.608 -3.224 -8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.875 -2.864 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.785 -2.187 -7.017 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.683 0.651 -8.799 1.00 0.00 N ATOM 1179 CA ILE A 82 -5.925 1.346 -8.502 1.00 0.00 C ATOM 1180 C ILE A 82 -7.010 0.879 -9.475 1.00 0.00 C ATOM 1181 O ILE A 82 -6.902 -0.198 -10.061 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.706 2.860 -8.506 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.729 3.564 -7.611 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.718 3.413 -9.933 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.071 4.078 -6.328 1.00 0.00 C ATOM 0 H ILE A 82 -3.955 1.235 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.269 1.100 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.719 3.063 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.179 4.396 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.534 2.874 -7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.560 4.491 -9.907 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.922 2.944 -10.512 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.680 3.198 -10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.819 4.574 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.643 3.240 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.282 4.786 -6.582 1.00 0.00 H new ATOM 1196 N SER A 83 -8.031 1.711 -9.616 1.00 0.00 N ATOM 1197 CA SER A 83 -9.135 1.397 -10.507 1.00 0.00 C ATOM 1198 C SER A 83 -10.099 2.582 -10.585 1.00 0.00 C ATOM 1199 O SER A 83 -10.060 3.475 -9.739 1.00 0.00 O ATOM 1200 CB SER A 83 -9.875 0.140 -10.045 1.00 0.00 C ATOM 1201 OG SER A 83 -9.170 -0.547 -9.016 1.00 0.00 O ATOM 0 H SER A 83 -8.117 2.603 -9.128 1.00 0.00 H new ATOM 0 HA SER A 83 -8.728 1.203 -11.499 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.866 0.415 -9.684 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.019 -0.528 -10.894 1.00 0.00 H new ATOM 0 HG SER A 83 -8.311 -0.865 -9.364 1.00 0.00 H new ATOM 1206 N PRO A 84 -10.963 2.553 -11.635 1.00 0.00 N ATOM 1207 CA PRO A 84 -11.934 3.614 -11.834 1.00 0.00 C ATOM 1208 C PRO A 84 -13.089 3.495 -10.836 1.00 0.00 C ATOM 1209 O PRO A 84 -14.027 4.290 -10.870 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.382 3.471 -13.280 1.00 0.00 C ATOM 1211 CG PRO A 84 -11.998 2.061 -13.698 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.036 1.512 -12.656 1.00 0.00 C ATOM 0 HA PRO A 84 -11.516 4.605 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.457 3.627 -13.373 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.896 4.212 -13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.884 1.430 -13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.531 2.069 -14.683 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.398 0.572 -12.239 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.056 1.312 -13.088 1.00 0.00 H new ATOM 1217 N ALA A 85 -12.981 2.496 -9.973 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.004 2.263 -8.967 1.00 0.00 C ATOM 1219 C ALA A 85 -13.335 1.937 -7.631 1.00 0.00 C ATOM 1220 O ALA A 85 -13.915 1.248 -6.794 1.00 0.00 O ATOM 1221 CB ALA A 85 -14.939 1.148 -9.439 1.00 0.00 C ATOM 0 H ALA A 85 -12.201 1.839 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.610 3.157 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.706 0.973 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.412 1.442 -10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.366 0.234 -9.593 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.122 2.446 -7.473 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.367 2.218 -6.253 1.00 0.00 C ATOM 1229 C VAL A 86 -10.715 3.528 -5.808 1.00 0.00 C ATOM 1230 O VAL A 86 -10.640 3.815 -4.614 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.357 1.090 -6.466 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.230 1.159 -5.434 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.045 -0.276 -6.434 1.00 0.00 C ATOM 0 H VAL A 86 -11.643 3.016 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.029 1.896 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.915 1.220 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.526 0.345 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.711 2.113 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.648 1.068 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.304 -1.060 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.528 -0.418 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.794 -0.325 -7.224 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.258 4.288 -6.793 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.614 5.562 -6.519 1.00 0.00 C ATOM 1245 C LYS A 87 -10.665 6.568 -6.045 1.00 0.00 C ATOM 1246 O LYS A 87 -10.323 7.649 -5.565 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.817 6.033 -7.736 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.350 7.369 -8.257 1.00 0.00 C ATOM 1249 CD LYS A 87 -8.520 7.865 -9.443 1.00 0.00 C ATOM 1250 CE LYS A 87 -9.349 8.783 -10.345 1.00 0.00 C ATOM 1251 NZ LYS A 87 -8.561 9.972 -10.739 1.00 0.00 N ATOM 0 H LYS A 87 -10.321 4.046 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.887 5.456 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.765 6.136 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.873 5.283 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.391 7.256 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.328 8.110 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.643 8.401 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.157 7.014 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.666 8.239 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.253 9.095 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.138 10.584 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.279 10.499 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.711 9.669 -11.256 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.921 6.177 -6.194 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.024 7.032 -5.787 1.00 0.00 C ATOM 1262 C ARG A 88 -13.055 7.169 -4.263 1.00 0.00 C ATOM 1263 O ARG A 88 -13.596 8.139 -3.735 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.363 6.470 -6.269 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.888 5.403 -5.305 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.083 4.108 -5.429 1.00 0.00 C ATOM 1267 NE ARG A 88 -14.958 2.942 -5.172 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.033 2.622 -5.923 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.375 3.378 -6.987 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.744 1.556 -5.601 1.00 0.00 N ATOM 0 H ARG A 88 -12.200 5.280 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.869 8.011 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.090 7.277 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.244 6.040 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.832 5.773 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.939 5.204 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.648 4.034 -6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.255 4.115 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.735 2.343 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.820 4.199 -7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.189 3.129 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.478 0.989 -4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.559 1.300 -6.158 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.467 6.184 -3.601 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.419 6.183 -2.148 1.00 0.00 C ATOM 1282 C LEU A 89 -11.518 7.323 -1.670 1.00 0.00 C ATOM 1283 O LEU A 89 -11.882 8.068 -0.761 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.000 4.808 -1.626 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.111 3.958 -1.005 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.613 2.545 -0.699 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.696 4.641 0.233 1.00 0.00 C ATOM 0 H LEU A 89 -12.020 5.381 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.411 6.366 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.559 4.248 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.217 4.948 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.918 3.864 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.422 1.962 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.282 2.068 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.780 2.597 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.483 4.017 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.910 4.785 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.112 5.609 -0.048 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.360 7.426 -2.306 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.404 8.462 -1.957 1.00 0.00 C ATOM 1300 C PHE A 90 -9.700 9.758 -2.716 1.00 0.00 C ATOM 1301 O PHE A 90 -9.238 10.830 -2.325 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.021 7.951 -2.366 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.748 6.503 -1.956 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.129 5.482 -2.771 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.123 6.235 -0.778 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.874 4.138 -2.391 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.869 4.891 -0.398 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.250 3.870 -1.213 1.00 0.00 C ATOM 0 H PHE A 90 -10.063 6.808 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.460 8.676 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.918 8.037 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.261 8.593 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.625 5.694 -3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.820 7.045 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.176 3.328 -3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.373 4.679 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.057 2.847 -0.924 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.468 9.618 -3.786 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.831 10.764 -4.601 1.00 0.00 C ATOM 1319 C ASP A 91 -11.827 11.636 -3.836 1.00 0.00 C ATOM 1320 O ASP A 91 -11.813 12.859 -3.962 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.496 10.322 -5.907 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.797 10.798 -7.182 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.703 11.380 -7.133 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.430 10.546 -8.278 1.00 0.00 O ATOM 0 H ASP A 91 -10.849 8.728 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.920 11.317 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.544 9.233 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.523 10.687 -5.916 1.00 0.00 H new ATOM 1329 N MET A 92 -12.669 10.972 -3.056 1.00 0.00 N ATOM 1330 CA MET A 92 -13.670 11.671 -2.269 1.00 0.00 C ATOM 1331 C MET A 92 -13.098 12.111 -0.920 1.00 0.00 C ATOM 1332 O MET A 92 -13.465 13.165 -0.401 1.00 0.00 O ATOM 1333 CB MET A 92 -14.872 10.752 -2.038 1.00 0.00 C ATOM 1334 CG MET A 92 -16.000 11.494 -1.319 1.00 0.00 C ATOM 1335 SD MET A 92 -17.067 10.327 -0.492 1.00 0.00 S ATOM 1336 CE MET A 92 -16.154 10.091 1.024 1.00 0.00 C ATOM 0 H MET A 92 -12.678 9.957 -2.953 1.00 0.00 H new ATOM 0 HA MET A 92 -13.981 12.560 -2.818 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.233 10.373 -2.994 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.566 9.888 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.583 12.194 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.575 12.081 -2.035 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.439 9.141 1.477 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.086 10.083 0.808 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.379 10.904 1.714 1.00 0.00 H new ATOM 1344 N SER A 93 -12.209 11.284 -0.392 1.00 0.00 N ATOM 1345 CA SER A 93 -11.582 11.575 0.885 1.00 0.00 C ATOM 1346 C SER A 93 -10.687 12.810 0.760 1.00 0.00 C ATOM 1347 O SER A 93 -10.712 13.688 1.621 1.00 0.00 O ATOM 1348 CB SER A 93 -10.770 10.379 1.387 1.00 0.00 C ATOM 1349 OG SER A 93 -9.908 10.733 2.465 1.00 0.00 O ATOM 0 H SER A 93 -11.908 10.411 -0.826 1.00 0.00 H new ATOM 0 HA SER A 93 -12.368 11.776 1.613 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.449 9.590 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.177 9.974 0.567 1.00 0.00 H new ATOM 0 HG SER A 93 -9.409 9.942 2.758 1.00 0.00 H new ATOM 1354 N GLY A 94 -9.919 12.836 -0.318 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.016 13.949 -0.567 1.00 0.00 C ATOM 1356 C GLY A 94 -7.661 13.717 0.105 1.00 0.00 C ATOM 1357 O GLY A 94 -6.700 14.436 -0.166 1.00 0.00 O ATOM 0 H GLY A 94 -9.902 12.105 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.877 14.076 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.459 14.872 -0.192 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.628 12.710 0.966 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.407 12.375 1.677 1.00 0.00 C ATOM 1363 C LEU A 95 -5.549 11.456 0.806 1.00 0.00 C ATOM 1364 O LEU A 95 -4.550 10.909 1.270 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.732 11.790 3.054 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.650 11.953 4.124 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -4.882 13.262 3.933 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.248 11.838 5.528 1.00 0.00 C ATOM 0 H LEU A 95 -8.427 12.116 1.187 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.819 13.273 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.648 12.256 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.940 10.727 2.935 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.932 11.141 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.119 13.353 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.406 13.265 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.572 14.103 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.459 11.957 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.999 12.615 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.713 10.859 5.647 1.00 0.00 H new ATOM 1379 N PHE A 96 -5.971 11.315 -0.443 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.254 10.471 -1.384 1.00 0.00 C ATOM 1381 C PHE A 96 -3.754 10.768 -1.352 1.00 0.00 C ATOM 1382 O PHE A 96 -2.936 9.868 -1.542 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.797 10.795 -2.777 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.046 9.564 -3.650 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.484 8.370 -3.317 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -6.827 9.662 -4.759 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.715 7.227 -4.128 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.058 8.519 -5.569 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.497 7.325 -5.235 1.00 0.00 C ATOM 0 H PHE A 96 -6.800 11.771 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.395 9.421 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.730 11.348 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.092 11.452 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.863 8.292 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.272 10.610 -5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.269 6.279 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.678 8.597 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.673 6.455 -5.850 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.437 12.031 -1.112 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.049 12.456 -1.052 1.00 0.00 C ATOM 1400 C LYS A 97 -1.341 11.717 0.084 1.00 0.00 C ATOM 1401 O LYS A 97 -0.118 11.577 0.072 1.00 0.00 O ATOM 1402 CB LYS A 97 -1.959 13.980 -0.944 1.00 0.00 C ATOM 1403 CG LYS A 97 -2.682 14.656 -2.111 1.00 0.00 C ATOM 1404 CD LYS A 97 -1.931 14.434 -3.425 1.00 0.00 C ATOM 1405 CE LYS A 97 -2.673 15.078 -4.597 1.00 0.00 C ATOM 1406 NZ LYS A 97 -3.864 14.278 -4.960 1.00 0.00 N ATOM 0 H LYS A 97 -4.118 12.775 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.531 12.193 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.397 14.308 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.913 14.286 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.694 14.259 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.774 15.725 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.928 14.854 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.816 13.365 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.975 16.091 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.007 15.159 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.298 14.672 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.580 13.293 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.552 14.306 -4.181 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.139 11.261 1.038 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.604 10.538 2.180 1.00 0.00 C ATOM 1417 C ILE A 98 -1.393 9.072 1.797 1.00 0.00 C ATOM 1418 O ILE A 98 -0.780 8.313 2.545 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.500 10.732 3.404 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.685 11.191 4.614 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.303 9.463 3.702 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.582 10.078 5.660 1.00 0.00 C ATOM 0 H ILE A 98 -3.152 11.378 1.044 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.629 10.937 2.461 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.217 11.522 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.686 11.487 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.151 12.071 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.932 9.627 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.930 9.220 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.619 8.637 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.998 10.430 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.581 9.801 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.094 9.209 5.219 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.913 8.718 0.631 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.790 7.356 0.139 1.00 0.00 C ATOM 1435 C ILE A 99 -1.015 7.363 -1.180 1.00 0.00 C ATOM 1436 O ILE A 99 -0.580 6.314 -1.655 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.166 6.694 0.042 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.760 6.457 1.431 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.098 5.407 -0.781 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.757 5.747 2.342 1.00 0.00 C ATOM 0 H ILE A 99 -2.421 9.351 0.012 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.219 6.748 0.841 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.837 7.375 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.048 7.410 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.667 5.858 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.089 4.956 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.749 5.637 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.407 4.709 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.204 5.591 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.489 4.784 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.862 6.360 2.445 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.866 8.557 -1.736 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.153 8.714 -2.992 1.00 0.00 C ATOM 1453 C ARG A 100 -0.352 7.479 -3.874 1.00 0.00 C ATOM 1454 O ARG A 100 0.418 6.523 -3.793 1.00 0.00 O ATOM 1455 CB ARG A 100 1.344 8.923 -2.752 1.00 0.00 C ATOM 1456 CG ARG A 100 1.936 9.881 -3.788 1.00 0.00 C ATOM 1457 CD ARG A 100 2.906 9.150 -4.719 1.00 0.00 C ATOM 1458 NE ARG A 100 4.081 10.004 -4.997 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.059 11.080 -5.812 1.00 0.00 C ATOM 1460 NH1 ARG A 100 2.919 11.443 -6.436 1.00 0.00 N ATOM 1461 NH2 ARG A 100 5.169 11.772 -5.989 1.00 0.00 N ATOM 0 H ARG A 100 -1.227 9.425 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.557 9.593 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.503 9.321 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.861 7.965 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.134 10.331 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.456 10.694 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.227 8.214 -4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.404 8.893 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 100 4.963 9.765 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.065 10.903 -6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.911 12.257 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.026 11.491 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.169 12.588 -6.602 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.388 7.540 -4.696 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.699 6.439 -5.592 1.00 0.00 C ATOM 1473 C PHE A 101 -1.591 6.876 -7.055 1.00 0.00 C ATOM 1474 O PHE A 101 -1.521 8.069 -7.346 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.142 6.020 -5.303 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.347 4.505 -5.233 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.321 3.763 -6.372 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.555 3.901 -4.033 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.512 2.357 -6.308 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.746 2.496 -3.968 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.720 1.753 -5.107 1.00 0.00 C ATOM 0 H PHE A 101 -2.024 8.335 -4.761 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.998 5.620 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.456 6.463 -4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.791 6.429 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.155 4.243 -7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.575 4.491 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.492 1.768 -7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.912 2.017 -3.014 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.864 0.684 -5.058 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.582 5.887 -7.935 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.485 6.153 -9.360 1.00 0.00 C ATOM 1492 C GLU A 102 -2.323 5.143 -10.148 1.00 0.00 C ATOM 1493 O GLU A 102 -3.368 4.698 -9.679 1.00 0.00 O ATOM 1494 CB GLU A 102 -0.027 6.136 -9.822 1.00 0.00 C ATOM 1495 CG GLU A 102 0.288 7.359 -10.688 1.00 0.00 C ATOM 1496 CD GLU A 102 0.468 6.959 -12.154 1.00 0.00 C ATOM 1497 OE1 GLU A 102 0.800 5.801 -12.446 1.00 0.00 O ATOM 1498 OE2 GLU A 102 0.252 7.904 -13.006 1.00 0.00 O ATOM 0 H GLU A 102 -1.640 4.899 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.881 7.150 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.633 6.120 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.168 5.225 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.518 8.088 -10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.195 7.843 -10.325 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.830 4.811 -11.333 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.519 3.862 -12.190 1.00 0.00 C ATOM 1506 C GLN A 103 -1.507 3.006 -12.956 1.00 0.00 C ATOM 1507 O GLN A 103 -1.084 3.371 -14.051 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.468 4.580 -13.152 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.547 5.347 -12.385 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.237 6.372 -13.289 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.622 7.278 -13.824 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.546 6.178 -13.426 1.00 0.00 N ATOM 0 H GLN A 103 -0.962 5.183 -11.719 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.120 3.205 -11.561 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.903 5.269 -13.779 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.936 3.854 -13.817 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.285 4.648 -11.992 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.100 5.853 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.999 5.398 -12.949 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.097 6.809 -14.008 1.00 0.00 H new ATOM 1519 N SER A 104 -1.149 1.884 -12.348 1.00 0.00 N ATOM 1520 CA SER A 104 -0.195 0.975 -12.957 1.00 0.00 C ATOM 1521 C SER A 104 1.053 1.742 -13.397 1.00 0.00 C ATOM 1522 O SER A 104 2.146 1.502 -12.885 1.00 0.00 O ATOM 1523 CB SER A 104 -0.816 0.244 -14.150 1.00 0.00 C ATOM 1524 OG SER A 104 0.148 -0.519 -14.869 1.00 0.00 O ATOM 0 H SER A 104 -1.503 1.585 -11.440 1.00 0.00 H new ATOM 0 HA SER A 104 0.088 0.229 -12.214 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.610 -0.414 -13.798 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.277 0.970 -14.820 1.00 0.00 H new ATOM 0 HG SER A 104 -0.288 -0.971 -15.621 1.00 0.00 H new ATOM 1529 N GLU A 105 0.849 2.648 -14.342 1.00 0.00 N ATOM 1530 CA GLU A 105 1.945 3.453 -14.856 1.00 0.00 C ATOM 1531 C GLU A 105 2.944 3.765 -13.739 1.00 0.00 C ATOM 1532 O GLU A 105 4.141 3.895 -13.990 1.00 0.00 O ATOM 1533 CB GLU A 105 1.425 4.738 -15.502 1.00 0.00 C ATOM 1534 CG GLU A 105 2.582 5.608 -16.001 1.00 0.00 C ATOM 1535 CD GLU A 105 2.321 6.101 -17.426 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.781 5.352 -18.252 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.701 7.311 -17.661 1.00 0.00 O ATOM 0 H GLU A 105 -0.058 2.843 -14.765 1.00 0.00 H new ATOM 0 HA GLU A 105 2.460 2.881 -15.627 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.766 4.490 -16.334 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.830 5.297 -14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.714 6.461 -15.335 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.510 5.036 -15.974 1.00 0.00 H new ATOM 1543 N GLN A 106 2.414 3.876 -12.530 1.00 0.00 N ATOM 1544 CA GLN A 106 3.244 4.171 -11.374 1.00 0.00 C ATOM 1545 C GLN A 106 4.172 2.991 -11.072 1.00 0.00 C ATOM 1546 O GLN A 106 5.072 3.102 -10.241 1.00 0.00 O ATOM 1547 CB GLN A 106 2.386 4.519 -10.157 1.00 0.00 C ATOM 1548 CG GLN A 106 3.161 4.297 -8.856 1.00 0.00 C ATOM 1549 CD GLN A 106 2.569 5.127 -7.715 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.854 4.632 -6.860 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.905 6.412 -7.752 1.00 0.00 N ATOM 0 H GLN A 106 1.421 3.767 -12.326 1.00 0.00 H new ATOM 0 HA GLN A 106 3.858 5.042 -11.605 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.065 5.559 -10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.485 3.906 -10.156 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.138 3.240 -8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.207 4.567 -9.001 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.508 6.760 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.560 7.050 -7.035 1.00 0.00 H new ATOM 1558 N GLN A 107 3.919 1.890 -11.762 1.00 0.00 N ATOM 1559 CA GLN A 107 4.719 0.691 -11.578 1.00 0.00 C ATOM 1560 C GLN A 107 6.181 1.063 -11.323 1.00 0.00 C ATOM 1561 O GLN A 107 6.898 0.339 -10.635 1.00 0.00 O ATOM 1562 CB GLN A 107 4.593 -0.243 -12.783 1.00 0.00 C ATOM 1563 CG GLN A 107 5.605 0.125 -13.870 1.00 0.00 C ATOM 1564 CD GLN A 107 5.153 -0.391 -15.238 1.00 0.00 C ATOM 1565 OE1 GLN A 107 5.451 -1.504 -15.640 1.00 0.00 O ATOM 1566 NE2 GLN A 107 4.419 0.478 -15.928 1.00 0.00 N ATOM 0 H GLN A 107 3.171 1.802 -12.450 1.00 0.00 H new ATOM 0 HA GLN A 107 4.343 0.157 -10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.752 -1.274 -12.467 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.582 -0.186 -13.188 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.726 1.208 -13.908 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.579 -0.296 -13.622 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.206 1.394 -15.532 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.069 0.229 -16.853 1.00 0.00 H new ATOM 1573 N ALA A 108 6.578 2.192 -11.891 1.00 0.00 N ATOM 1574 CA ALA A 108 7.943 2.669 -11.733 1.00 0.00 C ATOM 1575 C ALA A 108 8.052 3.464 -10.431 1.00 0.00 C ATOM 1576 O ALA A 108 8.929 3.199 -9.609 1.00 0.00 O ATOM 1577 CB ALA A 108 8.338 3.497 -12.957 1.00 0.00 C ATOM 0 H ALA A 108 5.980 2.790 -12.461 1.00 0.00 H new ATOM 0 HA ALA A 108 8.638 1.832 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.361 3.855 -12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.271 2.878 -13.852 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.664 4.349 -13.053 1.00 0.00 H new ATOM 1583 N LEU A 109 7.151 4.423 -10.282 1.00 0.00 N ATOM 1584 CA LEU A 109 7.136 5.259 -9.093 1.00 0.00 C ATOM 1585 C LEU A 109 6.850 4.389 -7.868 1.00 0.00 C ATOM 1586 O LEU A 109 7.212 4.749 -6.748 1.00 0.00 O ATOM 1587 CB LEU A 109 6.154 6.419 -9.266 1.00 0.00 C ATOM 1588 CG LEU A 109 6.750 7.824 -9.153 1.00 0.00 C ATOM 1589 CD1 LEU A 109 5.767 8.878 -9.665 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.205 8.113 -7.721 1.00 0.00 C ATOM 0 H LEU A 109 6.425 4.640 -10.965 1.00 0.00 H new ATOM 0 HA LEU A 109 8.112 5.719 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.679 6.325 -10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.368 6.318 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 109 7.635 7.872 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.215 9.868 -9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.534 8.680 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.851 8.838 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.625 9.118 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.352 8.040 -7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.963 7.387 -7.427 1.00 0.00 H new ATOM 1601 N LEU A 110 6.204 3.260 -8.120 1.00 0.00 N ATOM 1602 CA LEU A 110 5.865 2.336 -7.051 1.00 0.00 C ATOM 1603 C LEU A 110 7.131 1.984 -6.267 1.00 0.00 C ATOM 1604 O LEU A 110 7.111 1.937 -5.038 1.00 0.00 O ATOM 1605 CB LEU A 110 5.129 1.117 -7.610 1.00 0.00 C ATOM 1606 CG LEU A 110 4.621 0.109 -6.577 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.470 0.696 -5.758 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.234 -1.213 -7.244 1.00 0.00 C ATOM 0 H LEU A 110 5.906 2.964 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 110 5.174 2.802 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.279 1.467 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.797 0.598 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 110 5.433 -0.107 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.128 -0.041 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.814 1.589 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.647 0.959 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.876 -1.911 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.445 -1.035 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.104 -1.636 -7.746 1.00 0.00 H new ATOM 1619 N THR A 111 8.202 1.746 -7.010 1.00 0.00 N ATOM 1620 CA THR A 111 9.475 1.399 -6.400 1.00 0.00 C ATOM 1621 C THR A 111 9.961 2.536 -5.500 1.00 0.00 C ATOM 1622 O THR A 111 11.029 2.441 -4.898 1.00 0.00 O ATOM 1623 CB THR A 111 10.456 1.049 -7.521 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.510 -0.376 -7.501 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.888 1.479 -7.200 1.00 0.00 C ATOM 0 H THR A 111 8.215 1.787 -8.029 1.00 0.00 H new ATOM 0 HA THR A 111 9.379 0.530 -5.750 1.00 0.00 H new ATOM 0 HB THR A 111 10.133 1.523 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.310 -0.680 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.544 1.207 -8.027 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.919 2.558 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.223 0.978 -6.292 1.00 0.00 H new ATOM 1633 N LEU A 112 9.154 3.585 -5.437 1.00 0.00 N ATOM 1634 CA LEU A 112 9.490 4.739 -4.620 1.00 0.00 C ATOM 1635 C LEU A 112 10.019 5.858 -5.520 1.00 0.00 C ATOM 1636 O LEU A 112 10.670 6.787 -5.042 1.00 0.00 O ATOM 1637 CB LEU A 112 10.454 4.342 -3.501 1.00 0.00 C ATOM 1638 CG LEU A 112 11.916 4.745 -3.700 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.361 5.740 -2.627 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.822 3.513 -3.750 1.00 0.00 C ATOM 0 H LEU A 112 8.269 3.660 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 112 8.601 5.124 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.100 4.784 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.410 3.260 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 112 12.004 5.249 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.404 6.010 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.741 6.635 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.255 5.285 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.856 3.827 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.736 2.960 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.520 2.873 -4.579 1.00 0.00 H new ATOM 1651 N GLY A 113 9.723 5.733 -6.805 1.00 0.00 N ATOM 1652 CA GLY A 113 10.161 6.721 -7.774 1.00 0.00 C ATOM 1653 C GLY A 113 11.652 7.024 -7.613 1.00 0.00 C ATOM 1654 O GLY A 113 12.130 8.065 -8.062 1.00 0.00 O ATOM 0 H GLY A 113 9.184 4.961 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.967 6.357 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.585 7.638 -7.650 1.00 0.00 H new ATOM 1658 N VAL A 114 12.346 6.095 -6.970 1.00 0.00 N ATOM 1659 CA VAL A 114 13.773 6.250 -6.745 1.00 0.00 C ATOM 1660 C VAL A 114 14.432 4.869 -6.715 1.00 0.00 C ATOM 1661 O VAL A 114 14.749 4.352 -5.645 1.00 0.00 O ATOM 1662 CB VAL A 114 14.015 7.057 -5.468 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.379 6.721 -4.858 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.889 8.558 -5.735 1.00 0.00 C ATOM 0 H VAL A 114 11.946 5.233 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 114 14.231 6.811 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 114 13.247 6.780 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.527 7.308 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.417 5.660 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.166 6.956 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.066 9.108 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.624 8.858 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.887 8.779 -6.103 1.00 0.00 H new ATOM 1674 N ALA A 115 14.619 4.311 -7.902 1.00 0.00 N ATOM 1675 CA ALA A 115 15.234 3.002 -8.025 1.00 0.00 C ATOM 1676 C ALA A 115 14.927 2.427 -9.409 1.00 0.00 C ATOM 1677 O ALA A 115 13.876 1.823 -9.615 1.00 0.00 O ATOM 1678 CB ALA A 115 14.740 2.096 -6.895 1.00 0.00 C ATOM 0 H ALA A 115 14.355 4.743 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 115 16.317 3.078 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.202 1.113 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.009 2.534 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.657 1.995 -6.957 1.00 0.00 H new