USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 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 64 ASN : amide:sc= -4.15! C(o=-9.1!,f=-9!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -155:sc= -4.96! (180deg=-6.05!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.551 (180deg=-0.165!) USER MOD Single : A 4 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.36) USER MOD Single : A 5 ASN : amide:sc= -1.93 K(o=-1.9,f=-4.5!) USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.69! K(o=-5.7!,f=-0.93) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -6.85! C(o=-6.8!,f=-6.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -56:sc= 1.15 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0641) USER MOD Single : A 34 GLN : amide:sc= -0.0499 K(o=-0.05,f=-1.8!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 158:sc= -0.186 (180deg=-0.928) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 1.25 (180deg=-0.255!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 51 TYR OH : rot -1:sc= 0.507 USER MOD Single : A 52 ASN : amide:sc= -0.0245 K(o=-0.025,f=-0.86) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -77:sc= -2.04 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00118 K(o=-0.0012,f=-1.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.063 K(o=-0.063,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -162:sc= -0.0249 (180deg=-0.361) USER MOD Single : A 107 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0494 K(o=-0.049,f=-0.61) USER MOD Single : A 110 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.85) USER MOD Single : A 111 HIS : no HD1:sc= 0.12 K(o=0.12,f=-1.3) USER MOD Single : A 112 HIS : no HD1:sc= -0.708 X(o=-0.71,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.887 -2.993 13.926 1.00 1.00 N ATOM 2 CA MET A 1 24.538 -3.199 13.329 1.00 1.00 C ATOM 3 C MET A 1 24.691 -3.643 11.880 1.00 1.00 C ATOM 4 O MET A 1 24.676 -2.820 10.963 1.00 1.00 O ATOM 5 CB MET A 1 23.749 -1.886 13.396 1.00 1.00 C ATOM 6 CG MET A 1 23.544 -1.471 14.859 1.00 1.00 C ATOM 7 SD MET A 1 25.098 -0.825 15.527 1.00 1.00 S ATOM 8 CE MET A 1 24.474 -0.354 17.160 1.00 1.00 C ATOM 0 H1 MET A 1 25.808 -2.371 14.756 1.00 1.00 H new ATOM 0 H2 MET A 1 26.282 -3.910 14.217 1.00 1.00 H new ATOM 0 H3 MET A 1 26.515 -2.554 13.223 1.00 1.00 H new ATOM 0 HA MET A 1 24.000 -3.968 13.883 1.00 1.00 H new ATOM 0 HB2 MET A 1 24.284 -1.103 12.859 1.00 1.00 H new ATOM 0 HB3 MET A 1 22.783 -2.007 12.905 1.00 1.00 H new ATOM 0 HG2 MET A 1 22.764 -0.713 14.927 1.00 1.00 H new ATOM 0 HG3 MET A 1 23.210 -2.326 15.447 1.00 1.00 H new ATOM 0 HE1 MET A 1 25.284 0.075 17.749 1.00 1.00 H new ATOM 0 HE2 MET A 1 23.678 0.382 17.047 1.00 1.00 H new ATOM 0 HE3 MET A 1 24.083 -1.236 17.668 1.00 1.00 H new ATOM 20 N VAL A 2 24.843 -4.948 11.679 1.00 1.00 N ATOM 21 CA VAL A 2 25.001 -5.497 10.338 1.00 1.00 C ATOM 22 C VAL A 2 23.748 -5.241 9.501 1.00 1.00 C ATOM 23 O VAL A 2 23.838 -4.921 8.317 1.00 1.00 O ATOM 24 CB VAL A 2 25.272 -7.006 10.408 1.00 1.00 C ATOM 25 CG1 VAL A 2 26.598 -7.260 11.130 1.00 1.00 C ATOM 26 CG2 VAL A 2 24.135 -7.699 11.168 1.00 1.00 C ATOM 0 H VAL A 2 24.860 -5.643 12.426 1.00 1.00 H new ATOM 0 HA VAL A 2 25.849 -5.001 9.866 1.00 1.00 H new ATOM 0 HB VAL A 2 25.329 -7.407 9.396 1.00 1.00 H new ATOM 0 HG11 VAL A 2 26.787 -8.332 11.178 1.00 1.00 H new ATOM 0 HG12 VAL A 2 27.407 -6.773 10.586 1.00 1.00 H new ATOM 0 HG13 VAL A 2 26.545 -6.856 12.141 1.00 1.00 H new ATOM 0 HG21 VAL A 2 24.330 -8.770 11.216 1.00 1.00 H new ATOM 0 HG22 VAL A 2 24.074 -7.295 12.179 1.00 1.00 H new ATOM 0 HG23 VAL A 2 23.192 -7.525 10.650 1.00 1.00 H new ATOM 36 N ASP A 3 22.581 -5.385 10.121 1.00 1.00 N ATOM 37 CA ASP A 3 21.315 -5.167 9.431 1.00 1.00 C ATOM 38 C ASP A 3 21.251 -5.997 8.148 1.00 1.00 C ATOM 39 O ASP A 3 21.484 -5.485 7.054 1.00 1.00 O ATOM 40 CB ASP A 3 21.152 -3.679 9.103 1.00 1.00 C ATOM 41 CG ASP A 3 20.948 -2.879 10.387 1.00 1.00 C ATOM 42 OD1 ASP A 3 20.761 -3.495 11.427 1.00 1.00 O ATOM 43 OD2 ASP A 3 20.983 -1.662 10.318 1.00 1.00 O ATOM 0 H ASP A 3 22.486 -5.652 11.101 1.00 1.00 H new ATOM 0 HA ASP A 3 20.502 -5.482 10.085 1.00 1.00 H new ATOM 0 HB2 ASP A 3 22.034 -3.316 8.575 1.00 1.00 H new ATOM 0 HB3 ASP A 3 20.301 -3.536 8.437 1.00 1.00 H new ATOM 48 N GLN A 4 20.936 -7.279 8.295 1.00 1.00 N ATOM 49 CA GLN A 4 20.843 -8.174 7.148 1.00 1.00 C ATOM 50 C GLN A 4 19.635 -7.807 6.292 1.00 1.00 C ATOM 51 O GLN A 4 18.532 -7.619 6.805 1.00 1.00 O ATOM 52 CB GLN A 4 20.721 -9.626 7.625 1.00 1.00 C ATOM 53 CG GLN A 4 21.938 -9.995 8.482 1.00 1.00 C ATOM 54 CD GLN A 4 23.209 -9.955 7.641 1.00 1.00 C ATOM 55 OE1 GLN A 4 23.257 -10.541 6.559 1.00 1.00 O ATOM 56 NE2 GLN A 4 24.248 -9.295 8.075 1.00 1.00 N ATOM 0 H GLN A 4 20.741 -7.720 9.194 1.00 1.00 H new ATOM 0 HA GLN A 4 21.747 -8.070 6.547 1.00 1.00 H new ATOM 0 HB2 GLN A 4 19.806 -9.753 8.203 1.00 1.00 H new ATOM 0 HB3 GLN A 4 20.652 -10.296 6.768 1.00 1.00 H new ATOM 0 HG2 GLN A 4 22.026 -9.302 9.319 1.00 1.00 H new ATOM 0 HG3 GLN A 4 21.805 -10.991 8.905 1.00 1.00 H new ATOM 0 HE21 GLN A 4 24.206 -8.810 8.971 1.00 1.00 H new ATOM 0 HE22 GLN A 4 25.102 -9.264 7.518 1.00 1.00 H new ATOM 65 N ASN A 5 19.852 -7.705 4.986 1.00 1.00 N ATOM 66 CA ASN A 5 18.779 -7.343 4.063 1.00 1.00 C ATOM 67 C ASN A 5 17.672 -8.412 4.032 1.00 1.00 C ATOM 68 O ASN A 5 17.965 -9.600 4.176 1.00 1.00 O ATOM 69 CB ASN A 5 19.351 -7.167 2.652 1.00 1.00 C ATOM 70 CG ASN A 5 20.115 -8.422 2.241 1.00 1.00 C ATOM 71 OD1 ASN A 5 19.507 -9.435 1.894 1.00 1.00 O ATOM 72 ND2 ASN A 5 21.420 -8.414 2.256 1.00 1.00 N ATOM 0 H ASN A 5 20.756 -7.867 4.542 1.00 1.00 H new ATOM 0 HA ASN A 5 18.340 -6.408 4.412 1.00 1.00 H new ATOM 0 HB2 ASN A 5 18.544 -6.974 1.945 1.00 1.00 H new ATOM 0 HB3 ASN A 5 20.014 -6.302 2.624 1.00 1.00 H new ATOM 0 HD21 ASN A 5 21.938 -9.248 1.980 1.00 1.00 H new ATOM 0 HD22 ASN A 5 21.922 -7.574 2.544 1.00 1.00 H new ATOM 79 N PRO A 6 16.441 -8.026 3.829 1.00 1.00 N ATOM 80 CA PRO A 6 15.311 -8.997 3.769 1.00 1.00 C ATOM 81 C PRO A 6 15.387 -9.887 2.532 1.00 1.00 C ATOM 82 O PRO A 6 16.039 -10.931 2.523 1.00 1.00 O ATOM 83 CB PRO A 6 14.044 -8.105 3.767 1.00 1.00 C ATOM 84 CG PRO A 6 14.505 -6.788 3.212 1.00 1.00 C ATOM 85 CD PRO A 6 15.969 -6.635 3.641 1.00 1.00 C ATOM 0 HA PRO A 6 15.322 -9.695 4.606 1.00 1.00 H new ATOM 0 HB2 PRO A 6 13.255 -8.539 3.153 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.639 -7.991 4.772 1.00 1.00 H new ATOM 0 HG2 PRO A 6 14.413 -6.769 2.126 1.00 1.00 H new ATOM 0 HG3 PRO A 6 13.898 -5.969 3.598 1.00 1.00 H new ATOM 0 HD2 PRO A 6 16.554 -6.115 2.882 1.00 1.00 H new ATOM 0 HD3 PRO A 6 16.056 -6.057 4.561 1.00 1.00 H new ATOM 93 N GLU A 7 14.708 -9.490 1.460 1.00 1.00 N ATOM 94 CA GLU A 7 14.695 -10.251 0.207 1.00 1.00 C ATOM 95 C GLU A 7 13.881 -11.531 0.369 1.00 1.00 C ATOM 96 O GLU A 7 13.028 -11.836 -0.465 1.00 1.00 O ATOM 97 CB GLU A 7 16.119 -10.586 -0.251 1.00 1.00 C ATOM 98 CG GLU A 7 16.943 -9.298 -0.314 1.00 1.00 C ATOM 99 CD GLU A 7 18.376 -9.619 -0.721 1.00 1.00 C ATOM 100 OE1 GLU A 7 18.924 -10.567 -0.185 1.00 1.00 O ATOM 101 OE2 GLU A 7 18.906 -8.909 -1.561 1.00 1.00 O ATOM 0 H GLU A 7 14.152 -8.635 1.431 1.00 1.00 H new ATOM 0 HA GLU A 7 14.228 -9.629 -0.557 1.00 1.00 H new ATOM 0 HB2 GLU A 7 16.579 -11.293 0.439 1.00 1.00 H new ATOM 0 HB3 GLU A 7 16.096 -11.065 -1.230 1.00 1.00 H new ATOM 0 HG2 GLU A 7 16.499 -8.606 -1.030 1.00 1.00 H new ATOM 0 HG3 GLU A 7 16.934 -8.802 0.657 1.00 1.00 H new ATOM 108 N GLU A 8 14.148 -12.265 1.444 1.00 1.00 N ATOM 109 CA GLU A 8 13.432 -13.510 1.724 1.00 1.00 C ATOM 110 C GLU A 8 12.036 -13.219 2.272 1.00 1.00 C ATOM 111 O GLU A 8 11.077 -13.939 1.995 1.00 1.00 O ATOM 112 CB GLU A 8 14.213 -14.352 2.725 1.00 1.00 C ATOM 113 CG GLU A 8 15.512 -14.831 2.076 1.00 1.00 C ATOM 114 CD GLU A 8 16.336 -15.625 3.084 1.00 1.00 C ATOM 115 OE1 GLU A 8 15.861 -15.811 4.194 1.00 1.00 O ATOM 116 OE2 GLU A 8 17.428 -16.037 2.733 1.00 1.00 O ATOM 0 H GLU A 8 14.855 -12.021 2.138 1.00 1.00 H new ATOM 0 HA GLU A 8 13.332 -14.063 0.790 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.433 -13.766 3.617 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.616 -15.206 3.044 1.00 1.00 H new ATOM 0 HG2 GLU A 8 15.288 -15.451 1.208 1.00 1.00 H new ATOM 0 HG3 GLU A 8 16.086 -13.976 1.717 1.00 1.00 H new ATOM 123 N TYR A 9 11.923 -12.161 3.067 1.00 1.00 N ATOM 124 CA TYR A 9 10.658 -11.747 3.661 1.00 1.00 C ATOM 125 C TYR A 9 9.601 -11.535 2.571 1.00 1.00 C ATOM 126 O TYR A 9 8.439 -11.263 2.870 1.00 1.00 O ATOM 127 CB TYR A 9 10.837 -10.468 4.502 1.00 1.00 C ATOM 128 CG TYR A 9 11.466 -10.805 5.844 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.848 -10.992 5.940 1.00 1.00 C ATOM 130 CD2 TYR A 9 10.667 -10.941 6.985 1.00 1.00 C ATOM 131 CE1 TYR A 9 13.435 -11.303 7.174 1.00 1.00 C ATOM 132 CE2 TYR A 9 11.251 -11.254 8.217 1.00 1.00 C ATOM 133 CZ TYR A 9 12.636 -11.432 8.315 1.00 1.00 C ATOM 134 OH TYR A 9 13.213 -11.731 9.532 1.00 1.00 O ATOM 0 H TYR A 9 12.711 -11.564 3.319 1.00 1.00 H new ATOM 0 HA TYR A 9 10.316 -12.541 4.325 1.00 1.00 H new ATOM 0 HB2 TYR A 9 11.466 -9.757 3.966 1.00 1.00 H new ATOM 0 HB3 TYR A 9 9.871 -9.987 4.656 1.00 1.00 H new ATOM 0 HD1 TYR A 9 13.466 -10.896 5.059 1.00 1.00 H new ATOM 0 HD2 TYR A 9 9.598 -10.804 6.914 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.504 -11.443 7.244 1.00 1.00 H new ATOM 0 HE2 TYR A 9 10.631 -11.359 9.095 1.00 1.00 H new ATOM 0 HH TYR A 9 14.122 -11.367 9.561 1.00 1.00 H new ATOM 144 N TYR A 10 9.986 -11.653 1.305 1.00 1.00 N ATOM 145 CA TYR A 10 9.063 -11.476 0.182 1.00 1.00 C ATOM 146 C TYR A 10 8.056 -12.637 0.100 1.00 1.00 C ATOM 147 O TYR A 10 7.071 -12.599 -0.640 1.00 1.00 O ATOM 148 CB TYR A 10 9.866 -11.388 -1.125 1.00 1.00 C ATOM 149 CG TYR A 10 9.978 -12.770 -1.762 1.00 1.00 C ATOM 150 CD1 TYR A 10 10.809 -13.738 -1.193 1.00 1.00 C ATOM 151 CD2 TYR A 10 9.221 -13.081 -2.896 1.00 1.00 C ATOM 152 CE1 TYR A 10 10.892 -15.015 -1.759 1.00 1.00 C ATOM 153 CE2 TYR A 10 9.300 -14.356 -3.462 1.00 1.00 C ATOM 154 CZ TYR A 10 10.139 -15.322 -2.897 1.00 1.00 C ATOM 155 OH TYR A 10 10.222 -16.578 -3.462 1.00 1.00 O ATOM 0 H TYR A 10 10.942 -11.873 1.025 1.00 1.00 H new ATOM 0 HA TYR A 10 8.501 -10.555 0.336 1.00 1.00 H new ATOM 0 HB2 TYR A 10 9.379 -10.699 -1.815 1.00 1.00 H new ATOM 0 HB3 TYR A 10 10.860 -10.989 -0.925 1.00 1.00 H new ATOM 0 HD1 TYR A 10 11.389 -13.500 -0.314 1.00 1.00 H new ATOM 0 HD2 TYR A 10 8.575 -12.335 -3.335 1.00 1.00 H new ATOM 0 HE1 TYR A 10 11.536 -15.762 -1.318 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.713 -14.596 -4.336 1.00 1.00 H new ATOM 0 HH TYR A 10 9.634 -16.624 -4.245 1.00 1.00 H new ATOM 165 N LEU A 11 8.292 -13.684 0.884 1.00 1.00 N ATOM 166 CA LEU A 11 7.415 -14.851 0.926 1.00 1.00 C ATOM 167 C LEU A 11 5.971 -14.409 1.128 1.00 1.00 C ATOM 168 O LEU A 11 5.049 -15.210 0.966 1.00 1.00 O ATOM 169 CB LEU A 11 7.875 -15.801 2.068 1.00 1.00 C ATOM 170 CG LEU A 11 7.271 -15.402 3.461 1.00 1.00 C ATOM 171 CD1 LEU A 11 7.355 -13.864 3.717 1.00 1.00 C ATOM 172 CD2 LEU A 11 5.802 -15.891 3.592 1.00 1.00 C ATOM 0 H LEU A 11 9.096 -13.748 1.508 1.00 1.00 H new ATOM 0 HA LEU A 11 7.473 -15.390 -0.019 1.00 1.00 H new ATOM 0 HB2 LEU A 11 7.581 -16.823 1.827 1.00 1.00 H new ATOM 0 HB3 LEU A 11 8.963 -15.789 2.130 1.00 1.00 H new ATOM 0 HG LEU A 11 7.874 -15.897 4.222 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.926 -13.633 4.692 1.00 1.00 H new ATOM 0 HD12 LEU A 11 8.398 -13.548 3.696 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.800 -13.335 2.942 1.00 1.00 H new ATOM 0 HD21 LEU A 11 5.408 -15.602 4.566 1.00 1.00 H new ATOM 0 HD22 LEU A 11 5.197 -15.439 2.806 1.00 1.00 H new ATOM 0 HD23 LEU A 11 5.770 -16.976 3.495 1.00 1.00 H new ATOM 184 N GLU A 12 5.817 -13.141 1.499 1.00 1.00 N ATOM 185 CA GLU A 12 4.487 -12.620 1.771 1.00 1.00 C ATOM 186 C GLU A 12 3.638 -12.677 0.531 1.00 1.00 C ATOM 187 O GLU A 12 2.533 -13.220 0.560 1.00 1.00 O ATOM 188 CB GLU A 12 4.609 -11.178 2.294 1.00 1.00 C ATOM 189 CG GLU A 12 3.224 -10.551 2.494 1.00 1.00 C ATOM 190 CD GLU A 12 3.366 -9.123 3.015 1.00 1.00 C ATOM 191 OE1 GLU A 12 4.414 -8.808 3.554 1.00 1.00 O ATOM 192 OE2 GLU A 12 2.429 -8.358 2.850 1.00 1.00 O ATOM 0 H GLU A 12 6.578 -12.472 1.615 1.00 1.00 H new ATOM 0 HA GLU A 12 4.001 -13.232 2.531 1.00 1.00 H new ATOM 0 HB2 GLU A 12 5.154 -11.174 3.238 1.00 1.00 H new ATOM 0 HB3 GLU A 12 5.186 -10.579 1.590 1.00 1.00 H new ATOM 0 HG2 GLU A 12 2.677 -10.550 1.551 1.00 1.00 H new ATOM 0 HG3 GLU A 12 2.644 -11.148 3.198 1.00 1.00 H new ATOM 199 N GLY A 13 4.178 -12.113 -0.545 1.00 1.00 N ATOM 200 CA GLY A 13 3.470 -12.104 -1.828 1.00 1.00 C ATOM 201 C GLY A 13 2.667 -13.391 -2.031 1.00 1.00 C ATOM 202 O GLY A 13 1.627 -13.400 -2.691 1.00 1.00 O ATOM 0 H GLY A 13 5.092 -11.661 -0.559 1.00 1.00 H new ATOM 0 HA2 GLY A 13 2.800 -11.245 -1.870 1.00 1.00 H new ATOM 0 HA3 GLY A 13 4.187 -11.989 -2.641 1.00 1.00 H new ATOM 206 N VAL A 14 3.153 -14.484 -1.450 1.00 1.00 N ATOM 207 CA VAL A 14 2.474 -15.774 -1.545 1.00 1.00 C ATOM 208 C VAL A 14 1.328 -15.848 -0.546 1.00 1.00 C ATOM 209 O VAL A 14 0.198 -16.162 -0.917 1.00 1.00 O ATOM 210 CB VAL A 14 3.455 -16.912 -1.261 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.753 -18.263 -1.434 1.00 1.00 C ATOM 212 CG2 VAL A 14 4.629 -16.817 -2.233 1.00 1.00 C ATOM 0 H VAL A 14 4.016 -14.503 -0.907 1.00 1.00 H new ATOM 0 HA VAL A 14 2.080 -15.875 -2.556 1.00 1.00 H new ATOM 0 HB VAL A 14 3.818 -16.830 -0.236 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.459 -19.068 -1.230 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.916 -18.329 -0.739 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.385 -18.353 -2.456 1.00 1.00 H new ATOM 0 HG21 VAL A 14 5.332 -17.626 -2.035 1.00 1.00 H new ATOM 0 HG22 VAL A 14 4.262 -16.898 -3.256 1.00 1.00 H new ATOM 0 HG23 VAL A 14 5.133 -15.859 -2.103 1.00 1.00 H new ATOM 222 N LEU A 15 1.610 -15.571 0.723 1.00 1.00 N ATOM 223 CA LEU A 15 0.586 -15.626 1.767 1.00 1.00 C ATOM 224 C LEU A 15 -0.693 -14.956 1.297 1.00 1.00 C ATOM 225 O LEU A 15 -1.706 -15.628 1.111 1.00 1.00 O ATOM 226 CB LEU A 15 1.075 -14.922 3.043 1.00 1.00 C ATOM 227 CG LEU A 15 2.291 -15.650 3.634 1.00 1.00 C ATOM 228 CD1 LEU A 15 2.781 -14.874 4.871 1.00 1.00 C ATOM 229 CD2 LEU A 15 1.918 -17.097 4.042 1.00 1.00 C ATOM 0 H LEU A 15 2.537 -15.306 1.056 1.00 1.00 H new ATOM 0 HA LEU A 15 0.389 -16.676 1.983 1.00 1.00 H new ATOM 0 HB2 LEU A 15 1.339 -13.889 2.816 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.271 -14.891 3.778 1.00 1.00 H new ATOM 0 HG LEU A 15 3.079 -15.698 2.882 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.645 -15.381 5.300 1.00 1.00 H new ATOM 0 HD12 LEU A 15 3.063 -13.863 4.578 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.982 -14.828 5.612 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.794 -17.595 4.458 1.00 1.00 H new ATOM 0 HD22 LEU A 15 1.125 -17.071 4.790 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.572 -17.644 3.165 1.00 1.00 H new ATOM 241 N GLN A 16 -0.655 -13.642 1.093 1.00 1.00 N ATOM 242 CA GLN A 16 -1.839 -12.922 0.648 1.00 1.00 C ATOM 243 C GLN A 16 -2.509 -13.669 -0.511 1.00 1.00 C ATOM 244 O GLN A 16 -3.697 -13.984 -0.459 1.00 1.00 O ATOM 245 CB GLN A 16 -1.438 -11.517 0.178 1.00 1.00 C ATOM 246 CG GLN A 16 -0.949 -10.695 1.372 1.00 1.00 C ATOM 247 CD GLN A 16 -0.578 -9.280 0.930 1.00 1.00 C ATOM 248 OE1 GLN A 16 -1.369 -8.607 0.269 1.00 1.00 O ATOM 249 NE2 GLN A 16 0.588 -8.788 1.254 1.00 1.00 N ATOM 0 H GLN A 16 0.173 -13.062 1.227 1.00 1.00 H new ATOM 0 HA GLN A 16 -2.540 -12.849 1.480 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -0.653 -11.585 -0.575 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -2.289 -11.023 -0.292 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -1.726 -10.652 2.135 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.084 -11.180 1.825 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.243 -9.346 1.802 1.00 1.00 H new ATOM 0 HE22 GLN A 16 0.844 -7.846 0.959 1.00 1.00 H new ATOM 258 N TYR A 17 -1.753 -13.971 -1.562 1.00 1.00 N ATOM 259 CA TYR A 17 -2.305 -14.690 -2.707 1.00 1.00 C ATOM 260 C TYR A 17 -3.004 -15.977 -2.256 1.00 1.00 C ATOM 261 O TYR A 17 -4.204 -16.138 -2.471 1.00 1.00 O ATOM 262 CB TYR A 17 -1.155 -15.039 -3.701 1.00 1.00 C ATOM 263 CG TYR A 17 -1.282 -14.218 -4.962 1.00 1.00 C ATOM 264 CD1 TYR A 17 -2.053 -14.699 -6.022 1.00 1.00 C ATOM 265 CD2 TYR A 17 -0.640 -12.981 -5.060 1.00 1.00 C ATOM 266 CE1 TYR A 17 -2.184 -13.941 -7.188 1.00 1.00 C ATOM 267 CE2 TYR A 17 -0.769 -12.221 -6.225 1.00 1.00 C ATOM 268 CZ TYR A 17 -1.541 -12.702 -7.291 1.00 1.00 C ATOM 269 OH TYR A 17 -1.668 -11.957 -8.442 1.00 1.00 O ATOM 0 H TYR A 17 -0.765 -13.732 -1.646 1.00 1.00 H new ATOM 0 HA TYR A 17 -3.040 -14.053 -3.199 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.190 -14.849 -3.232 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -1.187 -16.101 -3.946 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -2.547 -15.656 -5.941 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -0.045 -12.613 -4.237 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -2.781 -14.310 -8.009 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -0.274 -11.264 -6.304 1.00 1.00 H new ATOM 0 HH TYR A 17 -1.161 -11.124 -8.350 1.00 1.00 H new ATOM 279 N ASP A 18 -2.245 -16.878 -1.641 1.00 1.00 N ATOM 280 CA ASP A 18 -2.808 -18.142 -1.177 1.00 1.00 C ATOM 281 C ASP A 18 -3.623 -17.925 0.088 1.00 1.00 C ATOM 282 O ASP A 18 -4.854 -17.921 0.054 1.00 1.00 O ATOM 283 CB ASP A 18 -1.682 -19.146 -0.901 1.00 1.00 C ATOM 284 CG ASP A 18 -0.943 -19.481 -2.194 1.00 1.00 C ATOM 285 OD1 ASP A 18 -0.201 -18.636 -2.668 1.00 1.00 O ATOM 286 OD2 ASP A 18 -1.127 -20.581 -2.692 1.00 1.00 O ATOM 0 H ASP A 18 -1.249 -16.760 -1.454 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.462 -18.538 -1.954 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -0.985 -18.730 -0.173 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -2.095 -20.055 -0.464 1.00 1.00 H new ATOM 291 N ALA A 19 -2.926 -17.739 1.205 1.00 1.00 N ATOM 292 CA ALA A 19 -3.585 -17.518 2.488 1.00 1.00 C ATOM 293 C ALA A 19 -4.255 -16.145 2.514 1.00 1.00 C ATOM 294 O ALA A 19 -3.593 -15.111 2.460 1.00 1.00 O ATOM 295 CB ALA A 19 -2.559 -17.619 3.625 1.00 1.00 C ATOM 0 H ALA A 19 -1.907 -17.737 1.248 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.350 -18.283 2.624 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.057 -17.453 4.580 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.106 -18.610 3.619 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -1.784 -16.865 3.484 1.00 1.00 H new ATOM 301 N GLY A 20 -5.581 -16.125 2.596 1.00 1.00 N ATOM 302 CA GLY A 20 -6.346 -14.880 2.624 1.00 1.00 C ATOM 303 C GLY A 20 -6.313 -14.247 4.008 1.00 1.00 C ATOM 304 O GLY A 20 -7.351 -13.989 4.617 1.00 1.00 O ATOM 0 H GLY A 20 -6.155 -16.967 2.645 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.938 -14.183 1.892 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.378 -15.077 2.336 1.00 1.00 H new ATOM 308 N ASN A 21 -5.107 -13.990 4.506 1.00 1.00 N ATOM 309 CA ASN A 21 -4.927 -13.378 5.831 1.00 1.00 C ATOM 310 C ASN A 21 -4.130 -12.088 5.722 1.00 1.00 C ATOM 311 O ASN A 21 -3.092 -11.932 6.364 1.00 1.00 O ATOM 312 CB ASN A 21 -4.210 -14.351 6.759 1.00 1.00 C ATOM 313 CG ASN A 21 -2.911 -14.831 6.124 1.00 1.00 C ATOM 314 OD1 ASN A 21 -2.212 -14.058 5.467 1.00 1.00 O ATOM 315 ND2 ASN A 21 -2.545 -16.071 6.282 1.00 1.00 N ATOM 0 H ASN A 21 -4.236 -14.194 4.016 1.00 1.00 H new ATOM 0 HA ASN A 21 -5.910 -13.146 6.241 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -3.999 -13.866 7.712 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -4.855 -15.203 6.971 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -1.678 -16.404 5.861 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -3.126 -16.709 6.826 1.00 1.00 H new ATOM 322 N TYR A 22 -4.636 -11.171 4.905 1.00 1.00 N ATOM 323 CA TYR A 22 -3.963 -9.883 4.718 1.00 1.00 C ATOM 324 C TYR A 22 -3.492 -9.331 6.066 1.00 1.00 C ATOM 325 O TYR A 22 -2.405 -8.762 6.160 1.00 1.00 O ATOM 326 CB TYR A 22 -4.933 -8.884 4.084 1.00 1.00 C ATOM 327 CG TYR A 22 -5.331 -9.355 2.703 1.00 1.00 C ATOM 328 CD1 TYR A 22 -4.511 -9.073 1.603 1.00 1.00 C ATOM 329 CD2 TYR A 22 -6.521 -10.071 2.522 1.00 1.00 C ATOM 330 CE1 TYR A 22 -4.882 -9.508 0.324 1.00 1.00 C ATOM 331 CE2 TYR A 22 -6.891 -10.507 1.245 1.00 1.00 C ATOM 332 CZ TYR A 22 -6.071 -10.226 0.146 1.00 1.00 C ATOM 333 OH TYR A 22 -6.436 -10.657 -1.112 1.00 1.00 O ATOM 0 H TYR A 22 -5.495 -11.288 4.368 1.00 1.00 H new ATOM 0 HA TYR A 22 -3.101 -10.030 4.067 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -5.819 -8.777 4.710 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.466 -7.901 4.022 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -3.593 -8.521 1.741 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -7.154 -10.287 3.370 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -4.251 -9.290 -0.525 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -7.808 -11.060 1.107 1.00 1.00 H new ATOM 0 HH TYR A 22 -7.287 -11.140 -1.058 1.00 1.00 H new ATOM 343 N THR A 23 -4.316 -9.516 7.092 1.00 1.00 N ATOM 344 CA THR A 23 -3.966 -9.040 8.421 1.00 1.00 C ATOM 345 C THR A 23 -2.638 -9.649 8.877 1.00 1.00 C ATOM 346 O THR A 23 -1.726 -8.934 9.294 1.00 1.00 O ATOM 347 CB THR A 23 -5.072 -9.421 9.425 1.00 1.00 C ATOM 348 OG1 THR A 23 -4.738 -8.902 10.705 1.00 1.00 O ATOM 349 CG2 THR A 23 -5.212 -10.949 9.526 1.00 1.00 C ATOM 0 H THR A 23 -5.219 -9.986 7.029 1.00 1.00 H new ATOM 0 HA THR A 23 -3.865 -7.955 8.381 1.00 1.00 H new ATOM 0 HB THR A 23 -6.017 -9.003 9.079 1.00 1.00 H new ATOM 0 HG1 THR A 23 -5.439 -9.140 11.347 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.998 -11.196 10.240 1.00 1.00 H new ATOM 0 HG22 THR A 23 -5.469 -11.356 8.548 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.269 -11.379 9.862 1.00 1.00 H new ATOM 357 N GLU A 24 -2.518 -10.970 8.789 1.00 1.00 N ATOM 358 CA GLU A 24 -1.287 -11.640 9.201 1.00 1.00 C ATOM 359 C GLU A 24 -0.080 -11.033 8.496 1.00 1.00 C ATOM 360 O GLU A 24 0.956 -10.799 9.119 1.00 1.00 O ATOM 361 CB GLU A 24 -1.364 -13.142 8.878 1.00 1.00 C ATOM 362 CG GLU A 24 -2.323 -13.845 9.847 1.00 1.00 C ATOM 363 CD GLU A 24 -2.502 -15.306 9.445 1.00 1.00 C ATOM 364 OE1 GLU A 24 -1.761 -15.761 8.591 1.00 1.00 O ATOM 365 OE2 GLU A 24 -3.371 -15.952 10.008 1.00 1.00 O ATOM 0 H GLU A 24 -3.247 -11.592 8.441 1.00 1.00 H new ATOM 0 HA GLU A 24 -1.174 -11.505 10.277 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.704 -13.284 7.852 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -0.372 -13.588 8.950 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -1.933 -13.785 10.863 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -3.288 -13.339 9.846 1.00 1.00 H new ATOM 372 N SER A 25 -0.219 -10.787 7.196 1.00 1.00 N ATOM 373 CA SER A 25 0.885 -10.225 6.419 1.00 1.00 C ATOM 374 C SER A 25 1.525 -9.047 7.164 1.00 1.00 C ATOM 375 O SER A 25 2.694 -8.727 6.954 1.00 1.00 O ATOM 376 CB SER A 25 0.363 -9.734 5.061 1.00 1.00 C ATOM 377 OG SER A 25 -0.165 -8.420 5.203 1.00 1.00 O ATOM 0 H SER A 25 -1.071 -10.964 6.664 1.00 1.00 H new ATOM 0 HA SER A 25 1.634 -11.003 6.272 1.00 1.00 H new ATOM 0 HB2 SER A 25 1.169 -9.736 4.327 1.00 1.00 H new ATOM 0 HB3 SER A 25 -0.408 -10.409 4.690 1.00 1.00 H new ATOM 0 HG SER A 25 -0.855 -8.418 5.899 1.00 1.00 H new ATOM 383 N ILE A 26 0.768 -8.407 8.049 1.00 1.00 N ATOM 384 CA ILE A 26 1.282 -7.276 8.825 1.00 1.00 C ATOM 385 C ILE A 26 2.523 -7.710 9.606 1.00 1.00 C ATOM 386 O ILE A 26 3.508 -6.976 9.675 1.00 1.00 O ATOM 387 CB ILE A 26 0.209 -6.776 9.819 1.00 1.00 C ATOM 388 CG1 ILE A 26 -0.947 -6.142 9.032 1.00 1.00 C ATOM 389 CG2 ILE A 26 0.821 -5.736 10.779 1.00 1.00 C ATOM 390 CD1 ILE A 26 -2.131 -5.873 9.966 1.00 1.00 C ATOM 0 H ILE A 26 -0.202 -8.649 8.249 1.00 1.00 H new ATOM 0 HA ILE A 26 1.539 -6.470 8.138 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.163 -7.616 10.405 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.617 -5.210 8.572 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.254 -6.805 8.223 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.057 -5.390 11.475 1.00 1.00 H new ATOM 0 HG22 ILE A 26 1.640 -6.192 11.336 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.199 -4.890 10.205 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -2.946 -5.423 9.400 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.469 -6.812 10.405 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.822 -5.192 10.759 1.00 1.00 H new ATOM 402 N ASP A 27 2.470 -8.900 10.194 1.00 1.00 N ATOM 403 CA ASP A 27 3.602 -9.390 10.969 1.00 1.00 C ATOM 404 C ASP A 27 4.856 -9.444 10.103 1.00 1.00 C ATOM 405 O ASP A 27 5.897 -8.908 10.483 1.00 1.00 O ATOM 406 CB ASP A 27 3.281 -10.785 11.509 1.00 1.00 C ATOM 407 CG ASP A 27 4.464 -11.333 12.303 1.00 1.00 C ATOM 408 OD1 ASP A 27 4.865 -10.684 13.255 1.00 1.00 O ATOM 409 OD2 ASP A 27 4.950 -12.395 11.949 1.00 1.00 O ATOM 0 H ASP A 27 1.671 -9.532 10.151 1.00 1.00 H new ATOM 0 HA ASP A 27 3.785 -8.710 11.801 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.397 -10.741 12.145 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.047 -11.457 10.683 1.00 1.00 H new ATOM 414 N LEU A 28 4.729 -10.093 8.951 1.00 1.00 N ATOM 415 CA LEU A 28 5.872 -10.206 8.051 1.00 1.00 C ATOM 416 C LEU A 28 6.325 -8.824 7.572 1.00 1.00 C ATOM 417 O LEU A 28 7.520 -8.531 7.553 1.00 1.00 O ATOM 418 CB LEU A 28 5.506 -11.102 6.840 1.00 1.00 C ATOM 419 CG LEU A 28 5.702 -12.604 7.161 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.196 -12.940 7.371 1.00 1.00 C ATOM 421 CD2 LEU A 28 4.903 -12.983 8.413 1.00 1.00 C ATOM 0 H LEU A 28 3.872 -10.538 8.624 1.00 1.00 H new ATOM 0 HA LEU A 28 6.697 -10.665 8.595 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.469 -10.923 6.555 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.124 -10.829 5.985 1.00 1.00 H new ATOM 0 HG LEU A 28 5.338 -13.181 6.311 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.302 -14.001 7.595 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.753 -12.703 6.465 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.588 -12.353 8.202 1.00 1.00 H new ATOM 0 HD21 LEU A 28 5.047 -14.041 8.630 1.00 1.00 H new ATOM 0 HD22 LEU A 28 5.248 -12.388 9.259 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.844 -12.789 8.241 1.00 1.00 H new ATOM 433 N PHE A 29 5.364 -7.987 7.194 1.00 1.00 N ATOM 434 CA PHE A 29 5.704 -6.652 6.724 1.00 1.00 C ATOM 435 C PHE A 29 6.467 -5.878 7.801 1.00 1.00 C ATOM 436 O PHE A 29 7.521 -5.303 7.530 1.00 1.00 O ATOM 437 CB PHE A 29 4.418 -5.899 6.335 1.00 1.00 C ATOM 438 CG PHE A 29 4.698 -4.419 6.134 1.00 1.00 C ATOM 439 CD1 PHE A 29 4.631 -3.538 7.226 1.00 1.00 C ATOM 440 CD2 PHE A 29 5.020 -3.933 4.868 1.00 1.00 C ATOM 441 CE1 PHE A 29 4.887 -2.174 7.042 1.00 1.00 C ATOM 442 CE2 PHE A 29 5.273 -2.576 4.687 1.00 1.00 C ATOM 443 CZ PHE A 29 5.209 -1.691 5.771 1.00 1.00 C ATOM 0 H PHE A 29 4.367 -8.203 7.203 1.00 1.00 H new ATOM 0 HA PHE A 29 6.348 -6.740 5.849 1.00 1.00 H new ATOM 0 HB2 PHE A 29 4.006 -6.323 5.419 1.00 1.00 H new ATOM 0 HB3 PHE A 29 3.666 -6.029 7.113 1.00 1.00 H new ATOM 0 HD1 PHE A 29 4.382 -3.913 8.208 1.00 1.00 H new ATOM 0 HD2 PHE A 29 5.073 -4.609 4.027 1.00 1.00 H new ATOM 0 HE1 PHE A 29 4.836 -1.496 7.881 1.00 1.00 H new ATOM 0 HE2 PHE A 29 5.520 -2.203 3.704 1.00 1.00 H new ATOM 0 HZ PHE A 29 5.408 -0.640 5.625 1.00 1.00 H new ATOM 453 N GLU A 30 5.926 -5.874 9.014 1.00 1.00 N ATOM 454 CA GLU A 30 6.570 -5.162 10.114 1.00 1.00 C ATOM 455 C GLU A 30 8.026 -5.601 10.252 1.00 1.00 C ATOM 456 O GLU A 30 8.896 -4.783 10.548 1.00 1.00 O ATOM 457 CB GLU A 30 5.815 -5.439 11.419 1.00 1.00 C ATOM 458 CG GLU A 30 6.418 -4.612 12.563 1.00 1.00 C ATOM 459 CD GLU A 30 5.652 -4.877 13.855 1.00 1.00 C ATOM 460 OE1 GLU A 30 4.570 -5.437 13.777 1.00 1.00 O ATOM 461 OE2 GLU A 30 6.159 -4.520 14.906 1.00 1.00 O ATOM 0 H GLU A 30 5.057 -6.348 9.260 1.00 1.00 H new ATOM 0 HA GLU A 30 6.548 -4.093 9.903 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.760 -5.192 11.298 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.868 -6.501 11.660 1.00 1.00 H new ATOM 0 HG2 GLU A 30 7.469 -4.869 12.694 1.00 1.00 H new ATOM 0 HG3 GLU A 30 6.377 -3.551 12.317 1.00 1.00 H new ATOM 468 N LYS A 31 8.277 -6.887 10.036 1.00 1.00 N ATOM 469 CA LYS A 31 9.640 -7.408 10.147 1.00 1.00 C ATOM 470 C LYS A 31 10.521 -6.890 9.011 1.00 1.00 C ATOM 471 O LYS A 31 11.637 -6.423 9.241 1.00 1.00 O ATOM 472 CB LYS A 31 9.628 -8.938 10.128 1.00 1.00 C ATOM 473 CG LYS A 31 8.979 -9.472 11.416 1.00 1.00 C ATOM 474 CD LYS A 31 8.839 -11.020 11.368 1.00 1.00 C ATOM 475 CE LYS A 31 10.134 -11.699 11.848 1.00 1.00 C ATOM 476 NZ LYS A 31 10.210 -11.626 13.335 1.00 1.00 N ATOM 0 H LYS A 31 7.571 -7.580 9.787 1.00 1.00 H new ATOM 0 HA LYS A 31 10.053 -7.061 11.094 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.077 -9.295 9.258 1.00 1.00 H new ATOM 0 HB3 LYS A 31 10.646 -9.317 10.039 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.581 -9.184 12.278 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.997 -9.018 11.548 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.004 -11.334 11.994 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.611 -11.338 10.351 1.00 1.00 H new ATOM 0 HE2 LYS A 31 10.154 -12.739 11.523 1.00 1.00 H new ATOM 0 HE3 LYS A 31 11.001 -11.209 11.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 10.956 -12.265 13.676 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 10.430 -10.651 13.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 9.297 -11.911 13.744 1.00 1.00 H new ATOM 490 N ALA A 32 10.003 -6.976 7.788 1.00 1.00 N ATOM 491 CA ALA A 32 10.763 -6.517 6.630 1.00 1.00 C ATOM 492 C ALA A 32 11.186 -5.063 6.806 1.00 1.00 C ATOM 493 O ALA A 32 12.370 -4.737 6.711 1.00 1.00 O ATOM 494 CB ALA A 32 9.903 -6.659 5.374 1.00 1.00 C ATOM 0 H ALA A 32 9.079 -7.352 7.576 1.00 1.00 H new ATOM 0 HA ALA A 32 11.662 -7.126 6.532 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.467 -6.317 4.506 1.00 1.00 H new ATOM 0 HB2 ALA A 32 9.627 -7.705 5.238 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.001 -6.057 5.481 1.00 1.00 H new ATOM 500 N ILE A 33 10.205 -4.205 7.062 1.00 1.00 N ATOM 501 CA ILE A 33 10.495 -2.787 7.257 1.00 1.00 C ATOM 502 C ILE A 33 11.463 -2.605 8.431 1.00 1.00 C ATOM 503 O ILE A 33 12.402 -1.813 8.356 1.00 1.00 O ATOM 504 CB ILE A 33 9.167 -2.011 7.509 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.580 -1.510 6.174 1.00 1.00 C ATOM 506 CG2 ILE A 33 9.384 -0.809 8.455 1.00 1.00 C ATOM 507 CD1 ILE A 33 8.251 -2.696 5.264 1.00 1.00 C ATOM 0 H ILE A 33 9.220 -4.458 7.139 1.00 1.00 H new ATOM 0 HA ILE A 33 10.968 -2.387 6.360 1.00 1.00 H new ATOM 0 HB ILE A 33 8.469 -2.701 7.983 1.00 1.00 H new ATOM 0 HG12 ILE A 33 7.680 -0.925 6.361 1.00 1.00 H new ATOM 0 HG13 ILE A 33 9.293 -0.850 5.680 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.437 -0.291 8.608 1.00 1.00 H new ATOM 0 HG22 ILE A 33 9.763 -1.164 9.413 1.00 1.00 H new ATOM 0 HG23 ILE A 33 10.105 -0.123 8.012 1.00 1.00 H new ATOM 0 HD11 ILE A 33 7.837 -2.330 4.324 1.00 1.00 H new ATOM 0 HD12 ILE A 33 9.160 -3.264 5.064 1.00 1.00 H new ATOM 0 HD13 ILE A 33 7.522 -3.340 5.755 1.00 1.00 H new ATOM 519 N GLN A 34 11.233 -3.327 9.523 1.00 1.00 N ATOM 520 CA GLN A 34 12.076 -3.197 10.698 1.00 1.00 C ATOM 521 C GLN A 34 13.541 -3.326 10.313 1.00 1.00 C ATOM 522 O GLN A 34 14.404 -2.690 10.914 1.00 1.00 O ATOM 523 CB GLN A 34 11.695 -4.270 11.716 1.00 1.00 C ATOM 524 CG GLN A 34 12.566 -4.160 12.965 1.00 1.00 C ATOM 525 CD GLN A 34 12.058 -5.135 14.022 1.00 1.00 C ATOM 526 OE1 GLN A 34 10.905 -5.562 13.967 1.00 1.00 O ATOM 527 NE2 GLN A 34 12.854 -5.526 14.977 1.00 1.00 N ATOM 0 H GLN A 34 10.474 -4.003 9.615 1.00 1.00 H new ATOM 0 HA GLN A 34 11.926 -2.213 11.142 1.00 1.00 H new ATOM 0 HB2 GLN A 34 10.645 -4.164 11.988 1.00 1.00 H new ATOM 0 HB3 GLN A 34 11.811 -5.258 11.271 1.00 1.00 H new ATOM 0 HG2 GLN A 34 13.604 -4.382 12.719 1.00 1.00 H new ATOM 0 HG3 GLN A 34 12.540 -3.141 13.351 1.00 1.00 H new ATOM 0 HE21 GLN A 34 13.809 -5.172 15.022 1.00 1.00 H new ATOM 0 HE22 GLN A 34 12.522 -6.186 15.680 1.00 1.00 H new ATOM 536 N LEU A 35 13.798 -4.153 9.304 1.00 1.00 N ATOM 537 CA LEU A 35 15.162 -4.358 8.834 1.00 1.00 C ATOM 538 C LEU A 35 15.649 -3.141 8.059 1.00 1.00 C ATOM 539 O LEU A 35 16.804 -2.730 8.180 1.00 1.00 O ATOM 540 CB LEU A 35 15.229 -5.610 7.952 1.00 1.00 C ATOM 541 CG LEU A 35 14.900 -6.871 8.783 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.667 -8.060 7.838 1.00 1.00 C ATOM 543 CD2 LEU A 35 16.056 -7.220 9.743 1.00 1.00 C ATOM 0 H LEU A 35 13.088 -4.686 8.802 1.00 1.00 H new ATOM 0 HA LEU A 35 15.811 -4.498 9.698 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.526 -5.518 7.124 1.00 1.00 H new ATOM 0 HB3 LEU A 35 16.224 -5.703 7.516 1.00 1.00 H new ATOM 0 HG LEU A 35 14.004 -6.667 9.369 1.00 1.00 H new ATOM 0 HD11 LEU A 35 14.435 -8.950 8.423 1.00 1.00 H new ATOM 0 HD12 LEU A 35 13.834 -7.837 7.171 1.00 1.00 H new ATOM 0 HD13 LEU A 35 15.566 -8.238 7.248 1.00 1.00 H new ATOM 0 HD21 LEU A 35 15.797 -8.111 10.315 1.00 1.00 H new ATOM 0 HD22 LEU A 35 16.962 -7.408 9.168 1.00 1.00 H new ATOM 0 HD23 LEU A 35 16.226 -6.387 10.426 1.00 1.00 H new ATOM 555 N ASP A 36 14.759 -2.566 7.258 1.00 1.00 N ATOM 556 CA ASP A 36 15.113 -1.399 6.459 1.00 1.00 C ATOM 557 C ASP A 36 13.870 -0.823 5.742 1.00 1.00 C ATOM 558 O ASP A 36 13.315 -1.510 4.884 1.00 1.00 O ATOM 559 CB ASP A 36 16.165 -1.793 5.420 1.00 1.00 C ATOM 560 CG ASP A 36 15.634 -2.915 4.539 1.00 1.00 C ATOM 561 OD1 ASP A 36 14.908 -3.748 5.057 1.00 1.00 O ATOM 562 OD2 ASP A 36 15.964 -2.928 3.368 1.00 1.00 O ATOM 0 H ASP A 36 13.797 -2.885 7.145 1.00 1.00 H new ATOM 0 HA ASP A 36 15.514 -0.633 7.123 1.00 1.00 H new ATOM 0 HB2 ASP A 36 16.423 -0.930 4.807 1.00 1.00 H new ATOM 0 HB3 ASP A 36 17.079 -2.114 5.920 1.00 1.00 H new ATOM 567 N PRO A 37 13.451 0.373 6.058 1.00 1.00 N ATOM 568 CA PRO A 37 12.263 0.971 5.383 1.00 1.00 C ATOM 569 C PRO A 37 12.627 1.641 4.055 1.00 1.00 C ATOM 570 O PRO A 37 11.928 2.539 3.586 1.00 1.00 O ATOM 571 CB PRO A 37 11.759 1.988 6.417 1.00 1.00 C ATOM 572 CG PRO A 37 13.007 2.481 7.092 1.00 1.00 C ATOM 573 CD PRO A 37 14.015 1.308 7.060 1.00 1.00 C ATOM 0 HA PRO A 37 11.513 0.229 5.108 1.00 1.00 H new ATOM 0 HB2 PRO A 37 11.216 2.804 5.940 1.00 1.00 H new ATOM 0 HB3 PRO A 37 11.077 1.525 7.130 1.00 1.00 H new ATOM 0 HG2 PRO A 37 13.409 3.353 6.576 1.00 1.00 H new ATOM 0 HG3 PRO A 37 12.799 2.786 8.118 1.00 1.00 H new ATOM 0 HD2 PRO A 37 15.011 1.646 6.773 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.108 0.836 8.038 1.00 1.00 H new ATOM 581 N GLU A 38 13.722 1.205 3.441 1.00 1.00 N ATOM 582 CA GLU A 38 14.183 1.759 2.164 1.00 1.00 C ATOM 583 C GLU A 38 13.562 1.007 0.996 1.00 1.00 C ATOM 584 O GLU A 38 13.727 1.393 -0.162 1.00 1.00 O ATOM 585 CB GLU A 38 15.721 1.690 2.086 1.00 1.00 C ATOM 586 CG GLU A 38 16.195 0.237 1.910 1.00 1.00 C ATOM 587 CD GLU A 38 17.707 0.150 2.118 1.00 1.00 C ATOM 588 OE1 GLU A 38 18.201 0.829 3.004 1.00 1.00 O ATOM 589 OE2 GLU A 38 18.345 -0.591 1.391 1.00 1.00 O ATOM 0 H GLU A 38 14.315 0.461 3.809 1.00 1.00 H new ATOM 0 HA GLU A 38 13.870 2.801 2.104 1.00 1.00 H new ATOM 0 HB2 GLU A 38 16.075 2.296 1.252 1.00 1.00 H new ATOM 0 HB3 GLU A 38 16.155 2.111 2.993 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.684 -0.410 2.623 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.936 -0.120 0.913 1.00 1.00 H new ATOM 596 N GLU A 39 12.841 -0.069 1.285 1.00 1.00 N ATOM 597 CA GLU A 39 12.196 -0.883 0.254 1.00 1.00 C ATOM 598 C GLU A 39 10.774 -0.393 0.003 1.00 1.00 C ATOM 599 O GLU A 39 9.850 -0.718 0.750 1.00 1.00 O ATOM 600 CB GLU A 39 12.181 -2.364 0.695 1.00 1.00 C ATOM 601 CG GLU A 39 11.891 -2.462 2.198 1.00 1.00 C ATOM 602 CD GLU A 39 11.595 -3.907 2.589 1.00 1.00 C ATOM 603 OE1 GLU A 39 12.269 -4.787 2.079 1.00 1.00 O ATOM 604 OE2 GLU A 39 10.702 -4.114 3.395 1.00 1.00 O ATOM 0 H GLU A 39 12.685 -0.404 2.236 1.00 1.00 H new ATOM 0 HA GLU A 39 12.760 -0.792 -0.674 1.00 1.00 H new ATOM 0 HB2 GLU A 39 11.424 -2.911 0.134 1.00 1.00 H new ATOM 0 HB3 GLU A 39 13.141 -2.828 0.471 1.00 1.00 H new ATOM 0 HG2 GLU A 39 12.746 -2.093 2.765 1.00 1.00 H new ATOM 0 HG3 GLU A 39 11.042 -1.828 2.453 1.00 1.00 H new ATOM 611 N SER A 40 10.589 0.391 -1.054 1.00 1.00 N ATOM 612 CA SER A 40 9.276 0.911 -1.398 1.00 1.00 C ATOM 613 C SER A 40 8.340 -0.213 -1.821 1.00 1.00 C ATOM 614 O SER A 40 7.187 -0.268 -1.395 1.00 1.00 O ATOM 615 CB SER A 40 9.401 1.925 -2.529 1.00 1.00 C ATOM 616 OG SER A 40 10.033 1.305 -3.639 1.00 1.00 O ATOM 0 H SER A 40 11.335 0.679 -1.687 1.00 1.00 H new ATOM 0 HA SER A 40 8.858 1.396 -0.516 1.00 1.00 H new ATOM 0 HB2 SER A 40 8.416 2.294 -2.815 1.00 1.00 H new ATOM 0 HB3 SER A 40 9.981 2.787 -2.199 1.00 1.00 H new ATOM 0 HG SER A 40 10.115 1.951 -4.371 1.00 1.00 H new ATOM 622 N LYS A 41 8.835 -1.115 -2.664 1.00 1.00 N ATOM 623 CA LYS A 41 8.033 -2.235 -3.154 1.00 1.00 C ATOM 624 C LYS A 41 7.312 -2.913 -1.991 1.00 1.00 C ATOM 625 O LYS A 41 6.236 -3.485 -2.159 1.00 1.00 O ATOM 626 CB LYS A 41 8.929 -3.269 -3.858 1.00 1.00 C ATOM 627 CG LYS A 41 9.485 -2.695 -5.169 1.00 1.00 C ATOM 628 CD LYS A 41 10.184 -3.806 -5.978 1.00 1.00 C ATOM 629 CE LYS A 41 11.430 -4.313 -5.231 1.00 1.00 C ATOM 630 NZ LYS A 41 12.306 -5.071 -6.172 1.00 1.00 N ATOM 0 H LYS A 41 9.789 -1.093 -3.023 1.00 1.00 H new ATOM 0 HA LYS A 41 7.302 -1.847 -3.863 1.00 1.00 H new ATOM 0 HB2 LYS A 41 9.751 -3.554 -3.201 1.00 1.00 H new ATOM 0 HB3 LYS A 41 8.357 -4.174 -4.064 1.00 1.00 H new ATOM 0 HG2 LYS A 41 8.677 -2.260 -5.757 1.00 1.00 H new ATOM 0 HG3 LYS A 41 10.190 -1.892 -4.954 1.00 1.00 H new ATOM 0 HD2 LYS A 41 9.492 -4.632 -6.146 1.00 1.00 H new ATOM 0 HD3 LYS A 41 10.470 -3.425 -6.958 1.00 1.00 H new ATOM 0 HE2 LYS A 41 11.978 -3.472 -4.806 1.00 1.00 H new ATOM 0 HE3 LYS A 41 11.133 -4.953 -4.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 13.147 -5.412 -5.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 11.781 -5.882 -6.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 12.601 -4.448 -6.950 1.00 1.00 H new ATOM 644 N TYR A 42 7.885 -2.853 -0.793 1.00 1.00 N ATOM 645 CA TYR A 42 7.284 -3.459 0.394 1.00 1.00 C ATOM 646 C TYR A 42 6.160 -2.572 0.929 1.00 1.00 C ATOM 647 O TYR A 42 5.172 -3.068 1.474 1.00 1.00 O ATOM 648 CB TYR A 42 8.370 -3.662 1.472 1.00 1.00 C ATOM 649 CG TYR A 42 9.149 -4.944 1.206 1.00 1.00 C ATOM 650 CD1 TYR A 42 9.834 -5.110 -0.007 1.00 1.00 C ATOM 651 CD2 TYR A 42 9.189 -5.959 2.174 1.00 1.00 C ATOM 652 CE1 TYR A 42 10.555 -6.287 -0.247 1.00 1.00 C ATOM 653 CE2 TYR A 42 9.909 -7.133 1.929 1.00 1.00 C ATOM 654 CZ TYR A 42 10.592 -7.298 0.720 1.00 1.00 C ATOM 655 OH TYR A 42 11.301 -8.454 0.485 1.00 1.00 O ATOM 0 H TYR A 42 8.774 -2.386 -0.616 1.00 1.00 H new ATOM 0 HA TYR A 42 6.859 -4.427 0.129 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.050 -2.810 1.477 1.00 1.00 H new ATOM 0 HB3 TYR A 42 7.908 -3.707 2.458 1.00 1.00 H new ATOM 0 HD1 TYR A 42 9.806 -4.331 -0.755 1.00 1.00 H new ATOM 0 HD2 TYR A 42 8.663 -5.834 3.109 1.00 1.00 H new ATOM 0 HE1 TYR A 42 11.083 -6.414 -1.180 1.00 1.00 H new ATOM 0 HE2 TYR A 42 9.937 -7.913 2.675 1.00 1.00 H new ATOM 0 HH TYR A 42 11.222 -9.049 1.260 1.00 1.00 H new ATOM 665 N TRP A 43 6.315 -1.263 0.767 1.00 1.00 N ATOM 666 CA TRP A 43 5.305 -0.316 1.234 1.00 1.00 C ATOM 667 C TRP A 43 4.081 -0.353 0.322 1.00 1.00 C ATOM 668 O TRP A 43 2.948 -0.219 0.786 1.00 1.00 O ATOM 669 CB TRP A 43 5.909 1.105 1.278 1.00 1.00 C ATOM 670 CG TRP A 43 6.649 1.323 2.566 1.00 1.00 C ATOM 671 CD1 TRP A 43 7.994 1.297 2.716 1.00 1.00 C ATOM 672 CD2 TRP A 43 6.093 1.599 3.880 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.296 1.549 4.046 1.00 1.00 N ATOM 674 CE2 TRP A 43 7.154 1.742 4.801 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.776 1.742 4.356 1.00 1.00 C ATOM 676 CZ2 TRP A 43 6.920 2.016 6.151 1.00 1.00 C ATOM 677 CZ3 TRP A 43 4.536 2.017 5.710 1.00 1.00 C ATOM 678 CH2 TRP A 43 5.604 2.157 6.605 1.00 1.00 C ATOM 0 H TRP A 43 7.124 -0.834 0.319 1.00 1.00 H new ATOM 0 HA TRP A 43 4.988 -0.596 2.239 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.586 1.245 0.435 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.116 1.847 1.177 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.712 1.111 1.931 1.00 1.00 H new ATOM 0 HE1 TRP A 43 9.244 1.587 4.421 1.00 1.00 H new ATOM 0 HE3 TRP A 43 3.945 1.639 3.674 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 7.747 2.118 6.838 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.521 2.121 6.065 1.00 1.00 H new ATOM 0 HH2 TRP A 43 5.412 2.374 7.645 1.00 1.00 H new ATOM 689 N LEU A 44 4.329 -0.531 -0.970 1.00 1.00 N ATOM 690 CA LEU A 44 3.240 -0.579 -1.935 1.00 1.00 C ATOM 691 C LEU A 44 2.246 -1.674 -1.565 1.00 1.00 C ATOM 692 O LEU A 44 1.036 -1.496 -1.705 1.00 1.00 O ATOM 693 CB LEU A 44 3.810 -0.826 -3.343 1.00 1.00 C ATOM 694 CG LEU A 44 2.680 -1.072 -4.363 1.00 1.00 C ATOM 695 CD1 LEU A 44 1.691 0.105 -4.357 1.00 1.00 C ATOM 696 CD2 LEU A 44 3.283 -1.243 -5.761 1.00 1.00 C ATOM 0 H LEU A 44 5.261 -0.643 -1.369 1.00 1.00 H new ATOM 0 HA LEU A 44 2.714 0.375 -1.924 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.404 0.033 -3.654 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.479 -1.686 -3.322 1.00 1.00 H new ATOM 0 HG LEU A 44 2.142 -1.979 -4.088 1.00 1.00 H new ATOM 0 HD11 LEU A 44 0.899 -0.082 -5.082 1.00 1.00 H new ATOM 0 HD12 LEU A 44 1.256 0.210 -3.363 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.216 1.023 -4.622 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.485 -1.417 -6.483 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.829 -0.340 -6.035 1.00 1.00 H new ATOM 0 HD23 LEU A 44 3.965 -2.094 -5.762 1.00 1.00 H new ATOM 708 N MET A 45 2.772 -2.802 -1.098 1.00 1.00 N ATOM 709 CA MET A 45 1.905 -3.911 -0.727 1.00 1.00 C ATOM 710 C MET A 45 1.065 -3.558 0.496 1.00 1.00 C ATOM 711 O MET A 45 -0.109 -3.920 0.569 1.00 1.00 O ATOM 712 CB MET A 45 2.759 -5.160 -0.460 1.00 1.00 C ATOM 713 CG MET A 45 1.872 -6.362 -0.100 1.00 1.00 C ATOM 714 SD MET A 45 0.785 -6.776 -1.493 1.00 1.00 S ATOM 715 CE MET A 45 2.051 -7.359 -2.651 1.00 1.00 C ATOM 0 H MET A 45 3.770 -2.970 -0.970 1.00 1.00 H new ATOM 0 HA MET A 45 1.220 -4.117 -1.549 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.355 -5.394 -1.342 1.00 1.00 H new ATOM 0 HB3 MET A 45 3.457 -4.961 0.353 1.00 1.00 H new ATOM 0 HG2 MET A 45 2.495 -7.220 0.153 1.00 1.00 H new ATOM 0 HG3 MET A 45 1.274 -6.131 0.782 1.00 1.00 H new ATOM 0 HE1 MET A 45 1.591 -8.008 -3.396 1.00 1.00 H new ATOM 0 HE2 MET A 45 2.511 -6.505 -3.148 1.00 1.00 H new ATOM 0 HE3 MET A 45 2.814 -7.915 -2.106 1.00 1.00 H new ATOM 725 N LYS A 46 1.705 -2.860 1.428 1.00 1.00 N ATOM 726 CA LYS A 46 1.008 -2.484 2.650 1.00 1.00 C ATOM 727 C LYS A 46 -0.231 -1.654 2.332 1.00 1.00 C ATOM 728 O LYS A 46 -1.312 -1.906 2.864 1.00 1.00 O ATOM 729 CB LYS A 46 1.937 -1.683 3.566 1.00 1.00 C ATOM 730 CG LYS A 46 1.257 -1.375 4.921 1.00 1.00 C ATOM 731 CD LYS A 46 0.999 -2.683 5.709 1.00 1.00 C ATOM 732 CE LYS A 46 0.839 -2.377 7.201 1.00 1.00 C ATOM 733 NZ LYS A 46 2.124 -1.851 7.737 1.00 1.00 N ATOM 0 H LYS A 46 2.675 -2.551 1.365 1.00 1.00 H new ATOM 0 HA LYS A 46 0.700 -3.398 3.158 1.00 1.00 H new ATOM 0 HB2 LYS A 46 2.856 -2.244 3.736 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.219 -0.750 3.077 1.00 1.00 H new ATOM 0 HG2 LYS A 46 1.889 -0.708 5.508 1.00 1.00 H new ATOM 0 HG3 LYS A 46 0.315 -0.854 4.751 1.00 1.00 H new ATOM 0 HD2 LYS A 46 0.101 -3.172 5.332 1.00 1.00 H new ATOM 0 HD3 LYS A 46 1.827 -3.376 5.559 1.00 1.00 H new ATOM 0 HE2 LYS A 46 0.044 -1.647 7.351 1.00 1.00 H new ATOM 0 HE3 LYS A 46 0.549 -3.279 7.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 2.214 -2.110 8.740 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 2.917 -2.259 7.201 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 2.141 -0.815 7.645 1.00 1.00 H new ATOM 747 N GLY A 47 -0.070 -0.660 1.463 1.00 1.00 N ATOM 748 CA GLY A 47 -1.187 0.202 1.097 1.00 1.00 C ATOM 749 C GLY A 47 -2.361 -0.618 0.565 1.00 1.00 C ATOM 750 O GLY A 47 -3.500 -0.423 0.990 1.00 1.00 O ATOM 0 H GLY A 47 0.813 -0.434 1.004 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.506 0.779 1.965 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.866 0.917 0.340 1.00 1.00 H new ATOM 754 N LYS A 48 -2.071 -1.532 -0.356 1.00 1.00 N ATOM 755 CA LYS A 48 -3.113 -2.374 -0.936 1.00 1.00 C ATOM 756 C LYS A 48 -3.790 -3.210 0.152 1.00 1.00 C ATOM 757 O LYS A 48 -4.986 -3.490 0.080 1.00 1.00 O ATOM 758 CB LYS A 48 -2.519 -3.303 -2.001 1.00 1.00 C ATOM 759 CG LYS A 48 -1.998 -2.476 -3.188 1.00 1.00 C ATOM 760 CD LYS A 48 -1.355 -3.405 -4.228 1.00 1.00 C ATOM 761 CE LYS A 48 -0.728 -2.574 -5.358 1.00 1.00 C ATOM 762 NZ LYS A 48 -1.798 -1.896 -6.147 1.00 1.00 N ATOM 0 H LYS A 48 -1.132 -1.708 -0.714 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.855 -1.726 -1.402 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.707 -3.890 -1.572 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -3.276 -4.009 -2.343 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.817 -1.919 -3.642 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.269 -1.744 -2.841 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.593 -4.023 -3.754 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.105 -4.082 -4.636 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.047 -1.832 -4.940 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.137 -3.218 -6.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.384 -1.477 -7.004 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.524 -2.591 -6.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -2.233 -1.147 -5.571 1.00 1.00 H new ATOM 776 N ALA A 49 -3.018 -3.609 1.158 1.00 1.00 N ATOM 777 CA ALA A 49 -3.568 -4.416 2.250 1.00 1.00 C ATOM 778 C ALA A 49 -4.559 -3.607 3.080 1.00 1.00 C ATOM 779 O ALA A 49 -5.676 -4.053 3.340 1.00 1.00 O ATOM 780 CB ALA A 49 -2.434 -4.913 3.151 1.00 1.00 C ATOM 0 H ALA A 49 -2.025 -3.393 1.243 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.092 -5.267 1.815 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.849 -5.512 3.961 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.744 -5.522 2.566 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.900 -4.059 3.568 1.00 1.00 H new ATOM 786 N LEU A 50 -4.123 -2.418 3.485 1.00 1.00 N ATOM 787 CA LEU A 50 -4.978 -1.559 4.289 1.00 1.00 C ATOM 788 C LEU A 50 -6.208 -1.127 3.492 1.00 1.00 C ATOM 789 O LEU A 50 -7.330 -1.173 3.996 1.00 1.00 O ATOM 790 CB LEU A 50 -4.187 -0.329 4.725 1.00 1.00 C ATOM 791 CG LEU A 50 -3.060 -0.725 5.711 1.00 1.00 C ATOM 792 CD1 LEU A 50 -2.041 0.416 5.800 1.00 1.00 C ATOM 793 CD2 LEU A 50 -3.631 -0.991 7.118 1.00 1.00 C ATOM 0 H LEU A 50 -3.201 -2.035 3.274 1.00 1.00 H new ATOM 0 HA LEU A 50 -5.313 -2.113 5.166 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.757 0.162 3.852 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.855 0.390 5.198 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.584 -1.634 5.344 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.246 0.141 6.493 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.615 0.601 4.814 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.536 1.319 6.156 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.821 -1.267 7.793 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.121 -0.090 7.488 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -4.356 -1.804 7.069 1.00 1.00 H new ATOM 805 N TYR A 51 -5.986 -0.709 2.250 1.00 1.00 N ATOM 806 CA TYR A 51 -7.089 -0.266 1.415 1.00 1.00 C ATOM 807 C TYR A 51 -8.147 -1.362 1.302 1.00 1.00 C ATOM 808 O TYR A 51 -9.333 -1.124 1.525 1.00 1.00 O ATOM 809 CB TYR A 51 -6.554 0.104 0.010 1.00 1.00 C ATOM 810 CG TYR A 51 -7.672 0.028 -1.020 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.626 1.043 -1.092 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.760 -1.083 -1.876 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.669 0.954 -2.022 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.800 -1.168 -2.806 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.754 -0.149 -2.879 1.00 1.00 C ATOM 816 OH TYR A 51 -10.781 -0.232 -3.794 1.00 1.00 O ATOM 0 H TYR A 51 -5.068 -0.669 1.808 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.550 0.611 1.870 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.134 1.110 0.027 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.747 -0.574 -0.269 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.560 1.895 -0.432 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -7.024 -1.871 -1.815 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.409 1.738 -2.078 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -8.866 -2.020 -3.467 1.00 1.00 H new ATOM 0 HH TYR A 51 -11.366 0.549 -3.701 1.00 1.00 H new ATOM 826 N ASN A 52 -7.719 -2.573 0.959 1.00 1.00 N ATOM 827 CA ASN A 52 -8.642 -3.683 0.814 1.00 1.00 C ATOM 828 C ASN A 52 -9.327 -3.983 2.135 1.00 1.00 C ATOM 829 O ASN A 52 -10.434 -4.522 2.155 1.00 1.00 O ATOM 830 CB ASN A 52 -7.890 -4.918 0.321 1.00 1.00 C ATOM 831 CG ASN A 52 -8.858 -6.082 0.146 1.00 1.00 C ATOM 832 OD1 ASN A 52 -9.999 -5.884 -0.270 1.00 1.00 O ATOM 833 ND2 ASN A 52 -8.466 -7.290 0.438 1.00 1.00 N ATOM 0 H ASN A 52 -6.743 -2.806 0.778 1.00 1.00 H new ATOM 0 HA ASN A 52 -9.405 -3.411 0.084 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -7.396 -4.699 -0.626 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -7.110 -5.187 1.033 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -9.106 -8.076 0.322 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -7.519 -7.450 0.783 1.00 1.00 H new ATOM 840 N LEU A 53 -8.656 -3.638 3.230 1.00 1.00 N ATOM 841 CA LEU A 53 -9.198 -3.874 4.567 1.00 1.00 C ATOM 842 C LEU A 53 -10.205 -2.808 4.919 1.00 1.00 C ATOM 843 O LEU A 53 -10.613 -2.692 6.076 1.00 1.00 O ATOM 844 CB LEU A 53 -8.052 -3.922 5.614 1.00 1.00 C ATOM 845 CG LEU A 53 -7.693 -5.377 5.963 1.00 1.00 C ATOM 846 CD1 LEU A 53 -7.098 -6.098 4.737 1.00 1.00 C ATOM 847 CD2 LEU A 53 -6.698 -5.393 7.134 1.00 1.00 C ATOM 0 H LEU A 53 -7.737 -3.195 3.219 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.706 -4.838 4.575 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.173 -3.410 5.222 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.355 -3.391 6.516 1.00 1.00 H new ATOM 0 HG LEU A 53 -8.599 -5.906 6.257 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -6.851 -7.125 5.004 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -7.827 -6.099 3.926 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -6.195 -5.580 4.413 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -6.444 -6.424 7.381 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -5.794 -4.854 6.851 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -7.150 -4.913 8.002 1.00 1.00 H new ATOM 859 N GLU A 54 -10.637 -2.028 3.934 1.00 1.00 N ATOM 860 CA GLU A 54 -11.616 -0.961 4.124 1.00 1.00 C ATOM 861 C GLU A 54 -10.969 0.240 4.801 1.00 1.00 C ATOM 862 O GLU A 54 -11.652 1.204 5.150 1.00 1.00 O ATOM 863 CB GLU A 54 -12.802 -1.501 5.001 1.00 1.00 C ATOM 864 CG GLU A 54 -12.713 -1.041 6.513 1.00 1.00 C ATOM 865 CD GLU A 54 -13.511 0.242 6.744 1.00 1.00 C ATOM 866 OE1 GLU A 54 -13.945 0.835 5.769 1.00 1.00 O ATOM 867 OE2 GLU A 54 -13.657 0.626 7.892 1.00 1.00 O ATOM 0 H GLU A 54 -10.315 -2.119 2.971 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.995 -0.643 3.153 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -13.746 -1.157 4.577 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -12.812 -2.590 4.958 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -13.093 -1.831 7.160 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -11.670 -0.879 6.787 1.00 1.00 H new ATOM 874 N ARG A 55 -9.656 0.190 4.998 1.00 1.00 N ATOM 875 CA ARG A 55 -8.938 1.264 5.661 1.00 1.00 C ATOM 876 C ARG A 55 -8.415 2.246 4.633 1.00 1.00 C ATOM 877 O ARG A 55 -7.208 2.444 4.492 1.00 1.00 O ATOM 878 CB ARG A 55 -7.777 0.696 6.482 1.00 1.00 C ATOM 879 CG ARG A 55 -8.298 -0.168 7.639 1.00 1.00 C ATOM 880 CD ARG A 55 -7.115 -0.682 8.484 1.00 1.00 C ATOM 881 NE ARG A 55 -7.580 -1.083 9.809 1.00 1.00 N ATOM 882 CZ ARG A 55 -8.323 -2.166 9.986 1.00 1.00 C ATOM 883 NH1 ARG A 55 -8.662 -2.892 8.964 1.00 1.00 N ATOM 884 NH2 ARG A 55 -8.719 -2.497 11.183 1.00 1.00 N ATOM 0 H ARG A 55 -9.067 -0.590 4.705 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.621 1.783 6.333 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -7.129 0.099 5.840 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.171 1.512 6.876 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -8.976 0.415 8.263 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -8.869 -1.010 7.247 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -6.642 -1.528 7.985 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -6.358 0.097 8.576 1.00 1.00 H new ATOM 0 HE ARG A 55 -7.327 -0.516 10.618 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -8.356 -2.628 8.027 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -9.234 -3.726 9.098 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -8.457 -1.922 11.984 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -9.291 -3.331 11.319 1.00 1.00 H new ATOM 898 N TYR A 56 -9.339 2.862 3.903 1.00 1.00 N ATOM 899 CA TYR A 56 -8.974 3.823 2.873 1.00 1.00 C ATOM 900 C TYR A 56 -8.112 4.936 3.467 1.00 1.00 C ATOM 901 O TYR A 56 -7.154 5.398 2.848 1.00 1.00 O ATOM 902 CB TYR A 56 -10.244 4.426 2.263 1.00 1.00 C ATOM 903 CG TYR A 56 -11.225 3.317 1.940 1.00 1.00 C ATOM 904 CD1 TYR A 56 -12.076 2.827 2.944 1.00 1.00 C ATOM 905 CD2 TYR A 56 -11.285 2.776 0.651 1.00 1.00 C ATOM 906 CE1 TYR A 56 -12.985 1.802 2.651 1.00 1.00 C ATOM 907 CE2 TYR A 56 -12.194 1.751 0.362 1.00 1.00 C ATOM 908 CZ TYR A 56 -13.043 1.264 1.362 1.00 1.00 C ATOM 909 OH TYR A 56 -13.939 0.254 1.074 1.00 1.00 O ATOM 0 H TYR A 56 -10.343 2.712 4.006 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.403 3.311 2.099 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.694 5.133 2.960 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -9.997 4.983 1.359 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -12.030 3.240 3.941 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -10.629 3.149 -0.122 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -13.642 1.427 3.422 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -12.240 1.336 -0.634 1.00 1.00 H new ATOM 0 HH TYR A 56 -13.849 -0.004 0.133 1.00 1.00 H new ATOM 919 N GLU A 57 -8.466 5.356 4.677 1.00 1.00 N ATOM 920 CA GLU A 57 -7.718 6.412 5.347 1.00 1.00 C ATOM 921 C GLU A 57 -6.306 5.944 5.695 1.00 1.00 C ATOM 922 O GLU A 57 -5.326 6.616 5.379 1.00 1.00 O ATOM 923 CB GLU A 57 -8.461 6.839 6.625 1.00 1.00 C ATOM 924 CG GLU A 57 -8.582 5.648 7.601 1.00 1.00 C ATOM 925 CD GLU A 57 -9.656 5.925 8.647 1.00 1.00 C ATOM 926 OE1 GLU A 57 -9.828 7.079 8.999 1.00 1.00 O ATOM 927 OE2 GLU A 57 -10.290 4.977 9.080 1.00 1.00 O ATOM 0 H GLU A 57 -9.255 4.987 5.207 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.637 7.263 4.671 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -7.928 7.659 7.106 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -9.453 7.210 6.369 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -8.828 4.741 7.049 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -7.624 5.473 8.091 1.00 1.00 H new ATOM 934 N GLU A 58 -6.225 4.790 6.348 1.00 1.00 N ATOM 935 CA GLU A 58 -4.925 4.259 6.744 1.00 1.00 C ATOM 936 C GLU A 58 -4.078 3.958 5.509 1.00 1.00 C ATOM 937 O GLU A 58 -2.881 4.244 5.481 1.00 1.00 O ATOM 938 CB GLU A 58 -5.100 2.979 7.591 1.00 1.00 C ATOM 939 CG GLU A 58 -3.930 2.804 8.561 1.00 1.00 C ATOM 940 CD GLU A 58 -4.148 1.564 9.419 1.00 1.00 C ATOM 941 OE1 GLU A 58 -5.166 1.501 10.087 1.00 1.00 O ATOM 942 OE2 GLU A 58 -3.286 0.700 9.403 1.00 1.00 O ATOM 0 H GLU A 58 -7.025 4.214 6.610 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.415 5.010 7.347 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -6.035 3.032 8.148 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -5.168 2.111 6.936 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -2.997 2.713 8.006 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -3.838 3.685 9.196 1.00 1.00 H new ATOM 949 N ALA A 59 -4.708 3.375 4.494 1.00 1.00 N ATOM 950 CA ALA A 59 -3.998 3.035 3.271 1.00 1.00 C ATOM 951 C ALA A 59 -3.303 4.263 2.705 1.00 1.00 C ATOM 952 O ALA A 59 -2.162 4.177 2.249 1.00 1.00 O ATOM 953 CB ALA A 59 -4.982 2.456 2.249 1.00 1.00 C ATOM 0 H ALA A 59 -5.698 3.131 4.495 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.238 2.286 3.495 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.448 2.202 1.333 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.447 1.559 2.659 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.752 3.194 2.027 1.00 1.00 H new ATOM 959 N VAL A 60 -3.987 5.402 2.739 1.00 1.00 N ATOM 960 CA VAL A 60 -3.412 6.639 2.240 1.00 1.00 C ATOM 961 C VAL A 60 -2.124 6.959 2.997 1.00 1.00 C ATOM 962 O VAL A 60 -1.174 7.489 2.419 1.00 1.00 O ATOM 963 CB VAL A 60 -4.434 7.790 2.372 1.00 1.00 C ATOM 964 CG1 VAL A 60 -3.724 9.158 2.296 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.463 7.689 1.234 1.00 1.00 C ATOM 0 H VAL A 60 -4.935 5.491 3.105 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.167 6.522 1.184 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.933 7.706 3.337 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.460 9.956 2.391 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -2.998 9.236 3.105 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.212 9.249 1.338 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.186 8.500 1.324 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -4.952 7.763 0.274 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.981 6.732 1.296 1.00 1.00 H new ATOM 975 N ASP A 61 -2.074 6.646 4.288 1.00 1.00 N ATOM 976 CA ASP A 61 -0.890 6.922 5.084 1.00 1.00 C ATOM 977 C ASP A 61 0.330 6.212 4.500 1.00 1.00 C ATOM 978 O ASP A 61 1.426 6.771 4.496 1.00 1.00 O ATOM 979 CB ASP A 61 -1.121 6.468 6.530 1.00 1.00 C ATOM 980 CG ASP A 61 -0.025 7.013 7.438 1.00 1.00 C ATOM 981 OD1 ASP A 61 0.472 8.090 7.155 1.00 1.00 O ATOM 982 OD2 ASP A 61 0.304 6.343 8.403 1.00 1.00 O ATOM 0 H ASP A 61 -2.837 6.203 4.800 1.00 1.00 H new ATOM 0 HA ASP A 61 -0.702 7.996 5.069 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.095 6.815 6.876 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -1.135 5.379 6.579 1.00 1.00 H new ATOM 987 N CYS A 62 0.128 4.991 4.015 1.00 1.00 N ATOM 988 CA CYS A 62 1.232 4.231 3.433 1.00 1.00 C ATOM 989 C CYS A 62 1.721 4.903 2.152 1.00 1.00 C ATOM 990 O CYS A 62 2.915 5.162 1.995 1.00 1.00 O ATOM 991 CB CYS A 62 0.778 2.793 3.132 1.00 1.00 C ATOM 992 SG CYS A 62 0.827 1.814 4.653 1.00 1.00 S ATOM 0 H CYS A 62 -0.773 4.512 4.012 1.00 1.00 H new ATOM 0 HA CYS A 62 2.054 4.203 4.149 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.232 2.797 2.722 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.426 2.346 2.378 1.00 1.00 H new ATOM 0 HG CYS A 62 2.056 1.484 4.917 1.00 1.00 H new ATOM 998 N TYR A 63 0.792 5.181 1.243 1.00 1.00 N ATOM 999 CA TYR A 63 1.158 5.817 -0.015 1.00 1.00 C ATOM 1000 C TYR A 63 1.816 7.166 0.241 1.00 1.00 C ATOM 1001 O TYR A 63 2.826 7.498 -0.379 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.088 6.006 -0.898 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.770 4.665 -1.169 1.00 1.00 C ATOM 1004 CD1 TYR A 63 -0.029 3.564 -1.628 1.00 1.00 C ATOM 1005 CD2 TYR A 63 -2.154 4.519 -0.957 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.662 2.346 -1.864 1.00 1.00 C ATOM 1007 CE2 TYR A 63 -2.780 3.295 -1.199 1.00 1.00 C ATOM 1008 CZ TYR A 63 -2.035 2.207 -1.649 1.00 1.00 C ATOM 1009 OH TYR A 63 -2.651 0.998 -1.882 1.00 1.00 O ATOM 0 H TYR A 63 -0.202 4.980 1.351 1.00 1.00 H new ATOM 0 HA TYR A 63 1.868 5.171 -0.532 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.788 6.682 -0.407 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.197 6.472 -1.842 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.033 3.662 -1.798 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -2.735 5.359 -0.605 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.087 1.502 -2.216 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.843 3.191 -1.037 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.607 1.074 -1.681 1.00 1.00 H new ATOM 1019 N ASN A 64 1.248 7.938 1.162 1.00 1.00 N ATOM 1020 CA ASN A 64 1.806 9.244 1.477 1.00 1.00 C ATOM 1021 C ASN A 64 3.212 9.097 2.046 1.00 1.00 C ATOM 1022 O ASN A 64 4.088 9.905 1.739 1.00 1.00 O ATOM 1023 CB ASN A 64 0.908 9.960 2.484 1.00 1.00 C ATOM 1024 CG ASN A 64 -0.437 10.281 1.840 1.00 1.00 C ATOM 1025 OD1 ASN A 64 -1.377 10.672 2.530 1.00 1.00 O ATOM 1026 ND2 ASN A 64 -0.590 10.128 0.550 1.00 1.00 N ATOM 0 H ASN A 64 0.415 7.686 1.694 1.00 1.00 H new ATOM 0 HA ASN A 64 1.861 9.833 0.562 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.760 9.333 3.363 1.00 1.00 H new ATOM 0 HB3 ASN A 64 1.387 10.878 2.824 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -1.490 10.333 0.115 1.00 1.00 H new ATOM 0 HD22 ASN A 64 0.190 9.804 -0.021 1.00 1.00 H new ATOM 1033 N TYR A 65 3.397 8.064 2.863 1.00 1.00 N ATOM 1034 CA TYR A 65 4.701 7.825 3.464 1.00 1.00 C ATOM 1035 C TYR A 65 5.748 7.642 2.371 1.00 1.00 C ATOM 1036 O TYR A 65 6.841 8.205 2.459 1.00 1.00 O ATOM 1037 CB TYR A 65 4.652 6.575 4.354 1.00 1.00 C ATOM 1038 CG TYR A 65 6.025 6.291 4.925 1.00 1.00 C ATOM 1039 CD1 TYR A 65 6.412 6.875 6.137 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.909 5.444 4.243 1.00 1.00 C ATOM 1041 CE1 TYR A 65 7.682 6.611 6.667 1.00 1.00 C ATOM 1042 CE2 TYR A 65 8.175 5.179 4.773 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.562 5.763 5.984 1.00 1.00 C ATOM 1044 OH TYR A 65 9.811 5.502 6.505 1.00 1.00 O ATOM 0 H TYR A 65 2.674 7.392 3.119 1.00 1.00 H new ATOM 0 HA TYR A 65 4.970 8.684 4.078 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.936 6.722 5.163 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.306 5.719 3.774 1.00 1.00 H new ATOM 0 HD1 TYR A 65 5.732 7.529 6.663 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.612 4.995 3.307 1.00 1.00 H new ATOM 0 HE1 TYR A 65 7.982 7.061 7.602 1.00 1.00 H new ATOM 0 HE2 TYR A 65 8.854 4.524 4.248 1.00 1.00 H new ATOM 0 HH TYR A 65 10.294 4.894 5.907 1.00 1.00 H new ATOM 1054 N VAL A 66 5.414 6.853 1.356 1.00 1.00 N ATOM 1055 CA VAL A 66 6.342 6.606 0.251 1.00 1.00 C ATOM 1056 C VAL A 66 6.574 7.887 -0.552 1.00 1.00 C ATOM 1057 O VAL A 66 7.704 8.191 -0.934 1.00 1.00 O ATOM 1058 CB VAL A 66 5.803 5.498 -0.664 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.711 5.334 -1.899 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.760 4.179 0.112 1.00 1.00 C ATOM 0 H VAL A 66 4.516 6.376 1.272 1.00 1.00 H new ATOM 0 HA VAL A 66 7.294 6.281 0.670 1.00 1.00 H new ATOM 0 HB VAL A 66 4.801 5.768 -0.996 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.316 4.545 -2.539 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.741 6.271 -2.455 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.719 5.070 -1.577 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.378 3.389 -0.534 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.765 3.920 0.446 1.00 1.00 H new ATOM 0 HG23 VAL A 66 5.107 4.287 0.978 1.00 1.00 H new ATOM 1070 N ILE A 67 5.509 8.642 -0.813 1.00 1.00 N ATOM 1071 CA ILE A 67 5.619 9.881 -1.573 1.00 1.00 C ATOM 1072 C ILE A 67 6.250 10.975 -0.717 1.00 1.00 C ATOM 1073 O ILE A 67 6.825 11.936 -1.227 1.00 1.00 O ATOM 1074 CB ILE A 67 4.237 10.299 -2.083 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.682 9.189 -2.990 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.346 11.602 -2.888 1.00 1.00 C ATOM 1077 CD1 ILE A 67 2.213 9.467 -3.305 1.00 1.00 C ATOM 0 H ILE A 67 4.562 8.416 -0.509 1.00 1.00 H new ATOM 0 HA ILE A 67 6.268 9.720 -2.434 1.00 1.00 H new ATOM 0 HB ILE A 67 3.572 10.458 -1.234 1.00 1.00 H new ATOM 0 HG12 ILE A 67 4.259 9.139 -3.914 1.00 1.00 H new ATOM 0 HG13 ILE A 67 3.782 8.221 -2.499 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.358 11.892 -3.247 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.746 12.391 -2.251 1.00 1.00 H new ATOM 0 HG23 ILE A 67 5.011 11.450 -3.738 1.00 1.00 H new ATOM 0 HD11 ILE A 67 1.823 8.678 -3.948 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.641 9.495 -2.378 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.125 10.427 -3.814 1.00 1.00 H new ATOM 1089 N ASN A 68 6.133 10.832 0.599 1.00 1.00 N ATOM 1090 CA ASN A 68 6.683 11.822 1.530 1.00 1.00 C ATOM 1091 C ASN A 68 8.157 11.558 1.813 1.00 1.00 C ATOM 1092 O ASN A 68 9.026 12.268 1.307 1.00 1.00 O ATOM 1093 CB ASN A 68 5.894 11.781 2.843 1.00 1.00 C ATOM 1094 CG ASN A 68 6.418 12.843 3.801 1.00 1.00 C ATOM 1095 OD1 ASN A 68 6.936 13.870 3.366 1.00 1.00 O ATOM 1096 ND2 ASN A 68 6.306 12.661 5.088 1.00 1.00 N ATOM 0 H ASN A 68 5.665 10.045 1.048 1.00 1.00 H new ATOM 0 HA ASN A 68 6.596 12.807 1.071 1.00 1.00 H new ATOM 0 HB2 ASN A 68 4.835 11.949 2.646 1.00 1.00 H new ATOM 0 HB3 ASN A 68 5.981 10.794 3.298 1.00 1.00 H new ATOM 0 HD21 ASN A 68 6.648 13.371 5.735 1.00 1.00 H new ATOM 0 HD22 ASN A 68 5.876 11.809 5.447 1.00 1.00 H new ATOM 1103 N VAL A 69 8.403 10.534 2.624 1.00 1.00 N ATOM 1104 CA VAL A 69 9.777 10.186 2.987 1.00 1.00 C ATOM 1105 C VAL A 69 10.650 10.067 1.731 1.00 1.00 C ATOM 1106 O VAL A 69 11.783 10.549 1.688 1.00 1.00 O ATOM 1107 CB VAL A 69 9.780 8.856 3.785 1.00 1.00 C ATOM 1108 CG1 VAL A 69 9.769 7.645 2.834 1.00 1.00 C ATOM 1109 CG2 VAL A 69 11.029 8.786 4.678 1.00 1.00 C ATOM 0 H VAL A 69 7.685 9.939 3.037 1.00 1.00 H new ATOM 0 HA VAL A 69 10.194 10.975 3.612 1.00 1.00 H new ATOM 0 HB VAL A 69 8.881 8.827 4.401 1.00 1.00 H new ATOM 0 HG11 VAL A 69 9.771 6.724 3.417 1.00 1.00 H new ATOM 0 HG12 VAL A 69 8.874 7.679 2.213 1.00 1.00 H new ATOM 0 HG13 VAL A 69 10.654 7.674 2.198 1.00 1.00 H new ATOM 0 HG21 VAL A 69 11.025 7.850 5.236 1.00 1.00 H new ATOM 0 HG22 VAL A 69 11.923 8.835 4.057 1.00 1.00 H new ATOM 0 HG23 VAL A 69 11.025 9.624 5.375 1.00 1.00 H new ATOM 1119 N ILE A 70 10.114 9.415 0.705 1.00 1.00 N ATOM 1120 CA ILE A 70 10.818 9.212 -0.558 1.00 1.00 C ATOM 1121 C ILE A 70 10.287 10.196 -1.596 1.00 1.00 C ATOM 1122 O ILE A 70 9.084 10.371 -1.789 1.00 1.00 O ATOM 1123 CB ILE A 70 10.630 7.736 -1.050 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.711 6.810 -0.455 1.00 1.00 C ATOM 1125 CG2 ILE A 70 10.697 7.668 -2.579 1.00 1.00 C ATOM 1126 CD1 ILE A 70 11.262 5.345 -0.574 1.00 1.00 C ATOM 0 H ILE A 70 9.178 9.011 0.725 1.00 1.00 H new ATOM 0 HA ILE A 70 11.884 9.389 -0.413 1.00 1.00 H new ATOM 0 HB ILE A 70 9.650 7.399 -0.712 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.656 6.954 -0.979 1.00 1.00 H new ATOM 0 HG13 ILE A 70 11.885 7.063 0.591 1.00 1.00 H new ATOM 0 HG21 ILE A 70 10.565 6.636 -2.903 1.00 1.00 H new ATOM 0 HG22 ILE A 70 9.907 8.287 -3.006 1.00 1.00 H new ATOM 0 HG23 ILE A 70 11.667 8.033 -2.917 1.00 1.00 H new ATOM 0 HD11 ILE A 70 12.028 4.694 -0.153 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.328 5.205 -0.030 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.111 5.095 -1.624 1.00 1.00 H new ATOM 1138 N GLU A 71 11.205 10.857 -2.294 1.00 1.00 N ATOM 1139 CA GLU A 71 10.868 11.821 -3.337 1.00 1.00 C ATOM 1140 C GLU A 71 10.886 11.152 -4.715 1.00 1.00 C ATOM 1141 O GLU A 71 11.124 11.805 -5.731 1.00 1.00 O ATOM 1142 CB GLU A 71 11.862 12.979 -3.308 1.00 1.00 C ATOM 1143 CG GLU A 71 13.293 12.446 -3.449 1.00 1.00 C ATOM 1144 CD GLU A 71 14.280 13.607 -3.414 1.00 1.00 C ATOM 1145 OE1 GLU A 71 14.059 14.565 -4.137 1.00 1.00 O ATOM 1146 OE2 GLU A 71 15.237 13.524 -2.664 1.00 1.00 O ATOM 0 H GLU A 71 12.208 10.739 -2.152 1.00 1.00 H new ATOM 0 HA GLU A 71 9.864 12.201 -3.150 1.00 1.00 H new ATOM 0 HB2 GLU A 71 11.644 13.677 -4.117 1.00 1.00 H new ATOM 0 HB3 GLU A 71 11.762 13.532 -2.374 1.00 1.00 H new ATOM 0 HG2 GLU A 71 13.512 11.746 -2.643 1.00 1.00 H new ATOM 0 HG3 GLU A 71 13.396 11.897 -4.385 1.00 1.00 H new ATOM 1153 N ASP A 72 10.638 9.847 -4.766 1.00 1.00 N ATOM 1154 CA ASP A 72 10.635 9.096 -6.020 1.00 1.00 C ATOM 1155 C ASP A 72 9.291 9.246 -6.715 1.00 1.00 C ATOM 1156 O ASP A 72 8.735 8.278 -7.234 1.00 1.00 O ATOM 1157 CB ASP A 72 10.909 7.602 -5.770 1.00 1.00 C ATOM 1158 CG ASP A 72 12.307 7.417 -5.172 1.00 1.00 C ATOM 1159 OD1 ASP A 72 13.103 8.333 -5.291 1.00 1.00 O ATOM 1160 OD2 ASP A 72 12.556 6.372 -4.591 1.00 1.00 O ATOM 0 H ASP A 72 10.434 9.280 -3.943 1.00 1.00 H new ATOM 0 HA ASP A 72 11.426 9.498 -6.653 1.00 1.00 H new ATOM 0 HB2 ASP A 72 10.158 7.195 -5.093 1.00 1.00 H new ATOM 0 HB3 ASP A 72 10.829 7.048 -6.705 1.00 1.00 H new ATOM 1165 N GLU A 73 8.767 10.467 -6.738 1.00 1.00 N ATOM 1166 CA GLU A 73 7.482 10.752 -7.379 1.00 1.00 C ATOM 1167 C GLU A 73 7.510 10.341 -8.856 1.00 1.00 C ATOM 1168 O GLU A 73 7.573 11.187 -9.749 1.00 1.00 O ATOM 1169 CB GLU A 73 7.163 12.252 -7.249 1.00 1.00 C ATOM 1170 CG GLU A 73 8.410 13.085 -7.583 1.00 1.00 C ATOM 1171 CD GLU A 73 8.054 14.566 -7.610 1.00 1.00 C ATOM 1172 OE1 GLU A 73 7.000 14.890 -8.133 1.00 1.00 O ATOM 1173 OE2 GLU A 73 8.839 15.352 -7.108 1.00 1.00 O ATOM 0 H GLU A 73 9.214 11.282 -6.318 1.00 1.00 H new ATOM 0 HA GLU A 73 6.704 10.174 -6.881 1.00 1.00 H new ATOM 0 HB2 GLU A 73 6.347 12.518 -7.921 1.00 1.00 H new ATOM 0 HB3 GLU A 73 6.827 12.474 -6.236 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.188 12.903 -6.842 1.00 1.00 H new ATOM 0 HG3 GLU A 73 8.812 12.781 -8.549 1.00 1.00 H new ATOM 1180 N TYR A 74 7.464 9.036 -9.099 1.00 1.00 N ATOM 1181 CA TYR A 74 7.492 8.525 -10.461 1.00 1.00 C ATOM 1182 C TYR A 74 7.107 7.051 -10.487 1.00 1.00 C ATOM 1183 O TYR A 74 7.566 6.296 -11.344 1.00 1.00 O ATOM 1184 CB TYR A 74 8.891 8.694 -11.042 1.00 1.00 C ATOM 1185 CG TYR A 74 8.873 8.295 -12.504 1.00 1.00 C ATOM 1186 CD1 TYR A 74 8.195 9.099 -13.429 1.00 1.00 C ATOM 1187 CD2 TYR A 74 9.516 7.126 -12.935 1.00 1.00 C ATOM 1188 CE1 TYR A 74 8.162 8.736 -14.779 1.00 1.00 C ATOM 1189 CE2 TYR A 74 9.482 6.766 -14.284 1.00 1.00 C ATOM 1190 CZ TYR A 74 8.806 7.570 -15.207 1.00 1.00 C ATOM 1191 OH TYR A 74 8.776 7.212 -16.540 1.00 1.00 O ATOM 0 H TYR A 74 7.408 8.319 -8.376 1.00 1.00 H new ATOM 0 HA TYR A 74 6.774 9.087 -11.059 1.00 1.00 H new ATOM 0 HB2 TYR A 74 9.218 9.728 -10.939 1.00 1.00 H new ATOM 0 HB3 TYR A 74 9.603 8.078 -10.493 1.00 1.00 H new ATOM 0 HD1 TYR A 74 7.698 9.999 -13.100 1.00 1.00 H new ATOM 0 HD2 TYR A 74 10.038 6.503 -12.223 1.00 1.00 H new ATOM 0 HE1 TYR A 74 7.639 9.356 -15.492 1.00 1.00 H new ATOM 0 HE2 TYR A 74 9.978 5.866 -14.615 1.00 1.00 H new ATOM 0 HH TYR A 74 9.273 6.377 -16.666 1.00 1.00 H new ATOM 1201 N ASN A 75 6.264 6.646 -9.542 1.00 1.00 N ATOM 1202 CA ASN A 75 5.814 5.249 -9.460 1.00 1.00 C ATOM 1203 C ASN A 75 4.365 5.138 -9.921 1.00 1.00 C ATOM 1204 O ASN A 75 3.423 5.533 -9.234 1.00 1.00 O ATOM 1205 CB ASN A 75 5.966 4.749 -8.011 1.00 1.00 C ATOM 1206 CG ASN A 75 7.436 4.479 -7.677 1.00 1.00 C ATOM 1207 OD1 ASN A 75 8.238 4.199 -8.568 1.00 1.00 O ATOM 1208 ND2 ASN A 75 7.835 4.553 -6.433 1.00 1.00 N ATOM 0 H ASN A 75 5.877 7.257 -8.823 1.00 1.00 H new ATOM 0 HA ASN A 75 6.426 4.628 -10.114 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.563 5.491 -7.322 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.384 3.837 -7.874 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.813 4.379 -6.200 1.00 1.00 H new ATOM 0 HD22 ASN A 75 7.169 4.785 -5.697 1.00 1.00 H new ATOM 1215 N LYS A 76 4.177 4.579 -11.113 1.00 1.00 N ATOM 1216 CA LYS A 76 2.846 4.413 -11.680 1.00 1.00 C ATOM 1217 C LYS A 76 2.016 3.461 -10.822 1.00 1.00 C ATOM 1218 O LYS A 76 0.818 3.665 -10.626 1.00 1.00 O ATOM 1219 CB LYS A 76 2.962 3.854 -13.096 1.00 1.00 C ATOM 1220 CG LYS A 76 3.887 4.756 -13.922 1.00 1.00 C ATOM 1221 CD LYS A 76 3.798 4.389 -15.405 1.00 1.00 C ATOM 1222 CE LYS A 76 4.359 2.981 -15.656 1.00 1.00 C ATOM 1223 NZ LYS A 76 4.578 2.785 -17.117 1.00 1.00 N ATOM 0 H LYS A 76 4.933 4.233 -11.705 1.00 1.00 H new ATOM 0 HA LYS A 76 2.351 5.384 -11.706 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.356 2.838 -13.067 1.00 1.00 H new ATOM 0 HB3 LYS A 76 1.977 3.801 -13.560 1.00 1.00 H new ATOM 0 HG2 LYS A 76 3.609 5.800 -13.781 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.915 4.650 -13.575 1.00 1.00 H new ATOM 0 HD2 LYS A 76 2.760 4.435 -15.733 1.00 1.00 H new ATOM 0 HD3 LYS A 76 4.352 5.117 -15.998 1.00 1.00 H new ATOM 0 HE2 LYS A 76 5.297 2.850 -15.116 1.00 1.00 H new ATOM 0 HE3 LYS A 76 3.666 2.229 -15.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 4.958 1.832 -17.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 3.675 2.892 -17.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 5.255 3.494 -17.465 1.00 1.00 H new ATOM 1237 N ASP A 77 2.666 2.418 -10.319 1.00 1.00 N ATOM 1238 CA ASP A 77 1.983 1.429 -9.491 1.00 1.00 C ATOM 1239 C ASP A 77 1.447 2.076 -8.214 1.00 1.00 C ATOM 1240 O ASP A 77 0.317 1.813 -7.801 1.00 1.00 O ATOM 1241 CB ASP A 77 2.948 0.295 -9.125 1.00 1.00 C ATOM 1242 CG ASP A 77 3.275 -0.544 -10.357 1.00 1.00 C ATOM 1243 OD1 ASP A 77 2.614 -0.362 -11.368 1.00 1.00 O ATOM 1244 OD2 ASP A 77 4.180 -1.357 -10.271 1.00 1.00 O ATOM 0 H ASP A 77 3.658 2.235 -10.468 1.00 1.00 H new ATOM 0 HA ASP A 77 1.146 1.024 -10.059 1.00 1.00 H new ATOM 0 HB2 ASP A 77 3.865 0.710 -8.706 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.503 -0.336 -8.355 1.00 1.00 H new ATOM 1249 N VAL A 78 2.263 2.923 -7.596 1.00 1.00 N ATOM 1250 CA VAL A 78 1.860 3.598 -6.366 1.00 1.00 C ATOM 1251 C VAL A 78 0.715 4.570 -6.644 1.00 1.00 C ATOM 1252 O VAL A 78 -0.281 4.589 -5.921 1.00 1.00 O ATOM 1253 CB VAL A 78 3.056 4.348 -5.753 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.612 5.158 -4.527 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.133 3.343 -5.324 1.00 1.00 C ATOM 0 H VAL A 78 3.200 3.158 -7.923 1.00 1.00 H new ATOM 0 HA VAL A 78 1.515 2.847 -5.655 1.00 1.00 H new ATOM 0 HB VAL A 78 3.459 5.027 -6.504 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.471 5.682 -4.107 1.00 1.00 H new ATOM 0 HG12 VAL A 78 1.855 5.883 -4.825 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.195 4.485 -3.778 1.00 1.00 H new ATOM 0 HG21 VAL A 78 4.978 3.878 -4.891 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.718 2.659 -4.584 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.469 2.777 -6.193 1.00 1.00 H new ATOM 1265 N TRP A 79 0.858 5.377 -7.689 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.169 6.350 -8.047 1.00 1.00 C ATOM 1267 C TRP A 79 -1.494 5.646 -8.316 1.00 1.00 C ATOM 1268 O TRP A 79 -2.551 6.090 -7.864 1.00 1.00 O ATOM 1269 CB TRP A 79 0.269 7.150 -9.289 1.00 1.00 C ATOM 1270 CG TRP A 79 1.321 8.163 -8.930 1.00 1.00 C ATOM 1271 CD1 TRP A 79 2.157 8.097 -7.864 1.00 1.00 C ATOM 1272 CD2 TRP A 79 1.651 9.397 -9.627 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.979 9.210 -7.870 1.00 1.00 N ATOM 1274 CE2 TRP A 79 2.705 10.040 -8.938 1.00 1.00 C ATOM 1275 CE3 TRP A 79 1.142 10.013 -10.785 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 3.235 11.254 -9.380 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 1.670 11.232 -11.233 1.00 1.00 C ATOM 1278 CH2 TRP A 79 2.715 11.852 -10.534 1.00 1.00 C ATOM 0 H TRP A 79 1.673 5.378 -8.302 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.303 7.039 -7.213 1.00 1.00 H new ATOM 0 HB2 TRP A 79 0.657 6.469 -10.047 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.594 7.654 -9.725 1.00 1.00 H new ATOM 0 HD1 TRP A 79 2.178 7.305 -7.130 1.00 1.00 H new ATOM 0 HE1 TRP A 79 3.699 9.394 -7.171 1.00 1.00 H new ATOM 0 HE3 TRP A 79 0.339 9.543 -11.333 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 4.039 11.727 -8.836 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 1.269 11.696 -12.122 1.00 1.00 H new ATOM 0 HH2 TRP A 79 3.119 12.790 -10.885 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.448 4.539 -9.049 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.656 3.788 -9.367 1.00 1.00 C ATOM 1291 C ALA A 80 -3.314 3.264 -8.094 1.00 1.00 C ATOM 1292 O ALA A 80 -4.540 3.249 -7.982 1.00 1.00 O ATOM 1293 CB ALA A 80 -2.305 2.615 -10.286 1.00 1.00 C ATOM 0 H ALA A 80 -0.590 4.143 -9.433 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.357 4.452 -9.873 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -3.210 2.055 -10.523 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.862 2.994 -11.207 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.593 1.960 -9.784 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.488 2.842 -7.143 1.00 1.00 N ATOM 1300 CA ALA A 81 -3.001 2.319 -5.883 1.00 1.00 C ATOM 1301 C ALA A 81 -3.708 3.413 -5.091 1.00 1.00 C ATOM 1302 O ALA A 81 -4.804 3.210 -4.569 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.854 1.741 -5.049 1.00 1.00 C ATOM 0 H ALA A 81 -1.471 2.851 -7.219 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.719 1.531 -6.108 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -2.247 1.353 -4.109 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -1.373 0.934 -5.602 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -1.125 2.524 -4.841 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.069 4.575 -5.002 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.637 5.693 -4.260 1.00 1.00 C ATOM 1311 C LYS A 82 -4.973 6.115 -4.881 1.00 1.00 C ATOM 1312 O LYS A 82 -5.953 6.339 -4.172 1.00 1.00 O ATOM 1313 CB LYS A 82 -2.637 6.873 -4.266 1.00 1.00 C ATOM 1314 CG LYS A 82 -2.807 7.743 -3.004 1.00 1.00 C ATOM 1315 CD LYS A 82 -4.247 8.282 -2.906 1.00 1.00 C ATOM 1316 CE LYS A 82 -4.285 9.521 -2.001 1.00 1.00 C ATOM 1317 NZ LYS A 82 -3.390 9.308 -0.837 1.00 1.00 N ATOM 0 H LYS A 82 -2.164 4.766 -5.432 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.822 5.389 -3.230 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.617 6.491 -4.315 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -2.792 7.482 -5.156 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -2.572 7.156 -2.117 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -2.103 8.575 -3.032 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -4.617 8.536 -3.899 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -4.906 7.511 -2.508 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -3.970 10.403 -2.559 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -5.304 9.706 -1.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -3.708 9.899 -0.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -3.417 8.307 -0.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -2.417 9.569 -1.095 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.008 6.217 -6.205 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.227 6.615 -6.899 1.00 1.00 C ATOM 1333 C ALA A 83 -7.372 5.683 -6.535 1.00 1.00 C ATOM 1334 O ALA A 83 -8.467 6.138 -6.208 1.00 1.00 O ATOM 1335 CB ALA A 83 -5.996 6.586 -8.412 1.00 1.00 C ATOM 0 H ALA A 83 -4.212 6.031 -6.816 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.489 7.628 -6.593 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -6.910 6.884 -8.925 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.193 7.276 -8.671 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -5.720 5.577 -8.719 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.110 4.382 -6.593 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.128 3.389 -6.266 1.00 1.00 C ATOM 1343 C ASP A 84 -8.736 3.689 -4.896 1.00 1.00 C ATOM 1344 O ASP A 84 -9.949 3.587 -4.710 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.510 1.989 -6.256 1.00 1.00 C ATOM 1346 CG ASP A 84 -7.074 1.600 -7.665 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.630 2.139 -8.608 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -6.189 0.766 -7.781 1.00 1.00 O ATOM 0 H ASP A 84 -6.207 3.991 -6.862 1.00 1.00 H new ATOM 0 HA ASP A 84 -8.912 3.431 -7.022 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.654 1.966 -5.582 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -8.233 1.266 -5.878 1.00 1.00 H new ATOM 1353 N ALA A 85 -7.891 4.062 -3.939 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.359 4.378 -2.592 1.00 1.00 C ATOM 1355 C ALA A 85 -9.280 5.596 -2.618 1.00 1.00 C ATOM 1356 O ALA A 85 -10.272 5.653 -1.891 1.00 1.00 O ATOM 1357 CB ALA A 85 -7.163 4.652 -1.674 1.00 1.00 C ATOM 0 H ALA A 85 -6.883 4.153 -4.070 1.00 1.00 H new ATOM 0 HA ALA A 85 -8.918 3.524 -2.210 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.520 4.887 -0.671 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.525 3.769 -1.634 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.592 5.495 -2.062 1.00 1.00 H new ATOM 1363 N LEU A 86 -8.943 6.566 -3.460 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.740 7.781 -3.585 1.00 1.00 C ATOM 1365 C LEU A 86 -11.046 7.494 -4.321 1.00 1.00 C ATOM 1366 O LEU A 86 -12.057 8.158 -4.091 1.00 1.00 O ATOM 1367 CB LEU A 86 -8.938 8.848 -4.336 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.730 9.299 -3.489 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.811 10.166 -4.353 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -8.191 10.105 -2.246 1.00 1.00 C ATOM 0 H LEU A 86 -8.123 6.535 -4.066 1.00 1.00 H new ATOM 0 HA LEU A 86 -9.981 8.146 -2.587 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.594 8.450 -5.291 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.576 9.704 -4.558 1.00 1.00 H new ATOM 0 HG LEU A 86 -7.196 8.415 -3.141 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -5.954 10.489 -3.762 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.464 9.587 -5.209 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.360 11.040 -4.704 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -7.320 10.410 -1.667 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.740 10.989 -2.569 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.837 9.482 -1.628 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.012 6.501 -5.204 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.200 6.144 -5.971 1.00 1.00 C ATOM 1384 C ARG A 87 -13.286 5.572 -5.064 1.00 1.00 C ATOM 1385 O ARG A 87 -14.452 5.503 -5.448 1.00 1.00 O ATOM 1386 CB ARG A 87 -11.826 5.130 -7.054 1.00 1.00 C ATOM 1387 CG ARG A 87 -13.036 4.861 -7.950 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.609 4.017 -9.150 1.00 1.00 C ATOM 1389 NE ARG A 87 -12.203 2.687 -8.716 1.00 1.00 N ATOM 1390 CZ ARG A 87 -11.660 1.821 -9.567 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -11.480 2.160 -10.813 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -11.306 0.636 -9.153 1.00 1.00 N ATOM 0 H ARG A 87 -10.187 5.936 -5.405 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.595 7.045 -6.440 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -10.997 5.510 -7.651 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.488 4.201 -6.595 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -13.811 4.342 -7.385 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.466 5.803 -8.290 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -13.433 3.939 -9.860 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.785 4.504 -9.671 1.00 1.00 H new ATOM 0 HE ARG A 87 -12.338 2.415 -7.742 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.755 3.088 -11.134 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.064 1.497 -11.467 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -11.446 0.374 -8.177 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -10.890 -0.029 -9.805 1.00 1.00 H new ATOM 1406 N TYR A 88 -12.885 5.165 -3.864 1.00 1.00 N ATOM 1407 CA TYR A 88 -13.815 4.592 -2.881 1.00 1.00 C ATOM 1408 C TYR A 88 -13.672 5.284 -1.532 1.00 1.00 C ATOM 1409 O TYR A 88 -13.477 4.639 -0.502 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.546 3.094 -2.728 1.00 1.00 C ATOM 1411 CG TYR A 88 -13.902 2.388 -4.024 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.249 2.202 -4.368 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -12.893 1.927 -4.883 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -15.584 1.555 -5.566 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -13.231 1.280 -6.078 1.00 1.00 C ATOM 1416 CZ TYR A 88 -14.575 1.094 -6.419 1.00 1.00 C ATOM 1417 OH TYR A 88 -14.903 0.457 -7.598 1.00 1.00 O ATOM 0 H TYR A 88 -11.919 5.219 -3.542 1.00 1.00 H new ATOM 0 HA TYR A 88 -14.833 4.744 -3.239 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.498 2.924 -2.483 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -14.135 2.689 -1.905 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -16.028 2.557 -3.710 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -11.855 2.071 -4.622 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -16.621 1.412 -5.831 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -12.453 0.924 -6.737 1.00 1.00 H new ATOM 0 HH TYR A 88 -14.083 0.203 -8.071 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.770 6.611 -1.527 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.655 7.411 -0.299 1.00 1.00 C ATOM 1429 C ILE A 89 -14.864 8.334 -0.149 1.00 1.00 C ATOM 1430 O ILE A 89 -15.263 9.018 -1.092 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.359 8.259 -0.337 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -12.048 8.789 1.078 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.525 9.451 -1.306 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.644 9.390 1.108 1.00 1.00 C ATOM 0 H ILE A 89 -13.931 7.165 -2.368 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.618 6.732 0.553 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.538 7.632 -0.685 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.782 9.542 1.364 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -12.123 7.980 1.804 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.606 10.038 -1.322 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.735 9.078 -2.309 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -13.351 10.079 -0.972 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -10.429 9.763 2.109 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.915 8.625 0.842 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.585 10.212 0.394 1.00 1.00 H new ATOM 1446 N GLU A 90 -15.451 8.357 1.043 1.00 1.00 N ATOM 1447 CA GLU A 90 -16.607 9.207 1.307 1.00 1.00 C ATOM 1448 C GLU A 90 -17.734 8.893 0.328 1.00 1.00 C ATOM 1449 O GLU A 90 -18.661 8.149 0.649 1.00 1.00 O ATOM 1450 CB GLU A 90 -16.207 10.687 1.202 1.00 1.00 C ATOM 1451 CG GLU A 90 -17.379 11.573 1.636 1.00 1.00 C ATOM 1452 CD GLU A 90 -16.984 13.044 1.562 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -15.960 13.334 0.963 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -17.712 13.860 2.102 1.00 1.00 O ATOM 0 H GLU A 90 -15.146 7.798 1.840 1.00 1.00 H new ATOM 0 HA GLU A 90 -16.963 9.009 2.318 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -15.338 10.884 1.830 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -15.920 10.924 0.178 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -18.241 11.388 0.995 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -17.678 11.320 2.653 1.00 1.00 H new ATOM 1461 N GLY A 91 -17.663 9.457 -0.873 1.00 1.00 N ATOM 1462 CA GLY A 91 -18.683 9.234 -1.899 1.00 1.00 C ATOM 1463 C GLY A 91 -18.053 9.209 -3.284 1.00 1.00 C ATOM 1464 O GLY A 91 -17.657 8.153 -3.777 1.00 1.00 O ATOM 0 H GLY A 91 -16.906 10.076 -1.164 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -19.197 8.291 -1.710 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -19.435 10.022 -1.850 1.00 1.00 H new ATOM 1468 N LYS A 92 -17.969 10.374 -3.917 1.00 1.00 N ATOM 1469 CA LYS A 92 -17.385 10.475 -5.249 1.00 1.00 C ATOM 1470 C LYS A 92 -17.021 11.920 -5.562 1.00 1.00 C ATOM 1471 O LYS A 92 -17.686 12.582 -6.359 1.00 1.00 O ATOM 1472 CB LYS A 92 -18.380 9.952 -6.294 1.00 1.00 C ATOM 1473 CG LYS A 92 -17.659 9.704 -7.647 1.00 1.00 C ATOM 1474 CD LYS A 92 -17.040 8.282 -7.685 1.00 1.00 C ATOM 1475 CE LYS A 92 -18.088 7.255 -8.133 1.00 1.00 C ATOM 1476 NZ LYS A 92 -17.457 5.914 -8.199 1.00 1.00 N ATOM 0 H LYS A 92 -18.297 11.259 -3.530 1.00 1.00 H new ATOM 0 HA LYS A 92 -16.478 9.871 -5.279 1.00 1.00 H new ATOM 0 HB2 LYS A 92 -18.835 9.026 -5.942 1.00 1.00 H new ATOM 0 HB3 LYS A 92 -19.187 10.672 -6.431 1.00 1.00 H new ATOM 0 HG2 LYS A 92 -18.366 9.820 -8.468 1.00 1.00 H new ATOM 0 HG3 LYS A 92 -16.878 10.450 -7.791 1.00 1.00 H new ATOM 0 HD2 LYS A 92 -16.191 8.266 -8.368 1.00 1.00 H new ATOM 0 HD3 LYS A 92 -16.660 8.017 -6.698 1.00 1.00 H new ATOM 0 HE2 LYS A 92 -18.925 7.243 -7.435 1.00 1.00 H new ATOM 0 HE3 LYS A 92 -18.491 7.529 -9.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 92 -18.163 5.213 -8.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 92 -16.672 5.933 -8.881 1.00 1.00 H new ATOM 0 HZ3 LYS A 92 -17.093 5.655 -7.260 1.00 1.00 H new ATOM 1490 N GLU A 93 -15.958 12.405 -4.928 1.00 1.00 N ATOM 1491 CA GLU A 93 -15.498 13.776 -5.136 1.00 1.00 C ATOM 1492 C GLU A 93 -14.603 13.864 -6.363 1.00 1.00 C ATOM 1493 O GLU A 93 -14.104 12.857 -6.863 1.00 1.00 O ATOM 1494 CB GLU A 93 -14.724 14.255 -3.906 1.00 1.00 C ATOM 1495 CG GLU A 93 -15.660 14.288 -2.686 1.00 1.00 C ATOM 1496 CD GLU A 93 -15.971 12.869 -2.214 1.00 1.00 C ATOM 1497 OE1 GLU A 93 -15.220 11.971 -2.560 1.00 1.00 O ATOM 1498 OE2 GLU A 93 -16.952 12.704 -1.511 1.00 1.00 O ATOM 0 H GLU A 93 -15.398 11.869 -4.265 1.00 1.00 H new ATOM 0 HA GLU A 93 -16.370 14.411 -5.292 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.882 13.591 -3.713 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -14.312 15.248 -4.087 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -15.195 14.853 -1.878 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -16.585 14.803 -2.944 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.403 15.085 -6.849 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.566 15.299 -8.020 1.00 1.00 C ATOM 1507 C VAL A 94 -12.151 14.795 -7.765 1.00 1.00 C ATOM 1508 O VAL A 94 -11.341 14.711 -8.689 1.00 1.00 O ATOM 1509 CB VAL A 94 -13.530 16.791 -8.371 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -12.911 17.580 -7.212 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -12.699 17.012 -9.649 1.00 1.00 C ATOM 0 H VAL A 94 -14.806 15.934 -6.453 1.00 1.00 H new ATOM 0 HA VAL A 94 -13.990 14.742 -8.856 1.00 1.00 H new ATOM 0 HB VAL A 94 -14.548 17.140 -8.543 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -12.887 18.640 -7.465 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -13.510 17.435 -6.313 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -11.895 17.227 -7.033 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -12.679 18.075 -9.891 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -11.681 16.657 -9.487 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -13.148 16.460 -10.475 1.00 1.00 H new ATOM 1521 N GLU A 95 -11.852 14.461 -6.514 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.527 13.975 -6.154 1.00 1.00 C ATOM 1523 C GLU A 95 -10.210 12.687 -6.906 1.00 1.00 C ATOM 1524 O GLU A 95 -9.147 12.552 -7.514 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.450 13.725 -4.639 1.00 1.00 C ATOM 1526 CG GLU A 95 -10.673 15.039 -3.876 1.00 1.00 C ATOM 1527 CD GLU A 95 -9.532 16.015 -4.140 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -8.479 15.565 -4.562 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -9.726 17.199 -3.919 1.00 1.00 O ATOM 0 H GLU A 95 -12.508 14.518 -5.735 1.00 1.00 H new ATOM 0 HA GLU A 95 -9.794 14.733 -6.430 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.201 12.992 -4.345 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.478 13.306 -4.381 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -11.619 15.486 -4.181 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -10.746 14.837 -2.807 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.135 11.734 -6.864 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.935 10.459 -7.546 1.00 1.00 C ATOM 1538 C ALA A 96 -10.585 10.680 -9.015 1.00 1.00 C ATOM 1539 O ALA A 96 -9.789 9.934 -9.587 1.00 1.00 O ATOM 1540 CB ALA A 96 -12.207 9.618 -7.451 1.00 1.00 C ATOM 0 H ALA A 96 -12.023 11.818 -6.370 1.00 1.00 H new ATOM 0 HA ALA A 96 -10.109 9.937 -7.063 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -12.053 8.667 -7.961 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.444 9.433 -6.403 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -13.033 10.153 -7.921 1.00 1.00 H new ATOM 1546 N GLU A 97 -11.178 11.706 -9.617 1.00 1.00 N ATOM 1547 CA GLU A 97 -10.911 12.005 -11.022 1.00 1.00 C ATOM 1548 C GLU A 97 -9.490 12.542 -11.199 1.00 1.00 C ATOM 1549 O GLU A 97 -8.769 12.136 -12.110 1.00 1.00 O ATOM 1550 CB GLU A 97 -11.913 13.043 -11.543 1.00 1.00 C ATOM 1551 CG GLU A 97 -13.321 12.440 -11.611 1.00 1.00 C ATOM 1552 CD GLU A 97 -14.327 13.518 -12.008 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.919 14.660 -12.158 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -15.493 13.190 -12.154 1.00 1.00 O ATOM 0 H GLU A 97 -11.838 12.337 -9.163 1.00 1.00 H new ATOM 0 HA GLU A 97 -11.016 11.081 -11.590 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -11.915 13.915 -10.890 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -11.609 13.386 -12.532 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -13.343 11.625 -12.335 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -13.592 12.015 -10.644 1.00 1.00 H new ATOM 1561 N ILE A 98 -9.092 13.459 -10.325 1.00 1.00 N ATOM 1562 CA ILE A 98 -7.757 14.050 -10.408 1.00 1.00 C ATOM 1563 C ILE A 98 -6.693 12.958 -10.311 1.00 1.00 C ATOM 1564 O ILE A 98 -5.733 12.949 -11.081 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.563 15.064 -9.257 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -8.494 16.267 -9.475 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -6.105 15.556 -9.214 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -8.491 17.167 -8.231 1.00 1.00 C ATOM 0 H ILE A 98 -9.666 13.808 -9.557 1.00 1.00 H new ATOM 0 HA ILE A 98 -7.656 14.562 -11.365 1.00 1.00 H new ATOM 0 HB ILE A 98 -7.800 14.573 -8.313 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -8.169 16.836 -10.346 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -9.507 15.921 -9.681 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -5.986 16.269 -8.398 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.439 14.708 -9.055 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -5.856 16.040 -10.158 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.154 18.017 -8.395 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -8.838 16.597 -7.369 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -7.479 17.527 -8.045 1.00 1.00 H new ATOM 1580 N ALA A 99 -6.869 12.037 -9.368 1.00 1.00 N ATOM 1581 CA ALA A 99 -5.904 10.956 -9.195 1.00 1.00 C ATOM 1582 C ALA A 99 -5.910 10.023 -10.399 1.00 1.00 C ATOM 1583 O ALA A 99 -4.852 9.641 -10.900 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.234 10.176 -7.923 1.00 1.00 C ATOM 0 H ALA A 99 -7.658 12.016 -8.721 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.907 11.388 -9.108 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.513 9.369 -7.794 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.187 10.845 -7.064 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.237 9.757 -8.003 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.112 9.670 -10.844 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.244 8.772 -11.989 1.00 1.00 C ATOM 1592 C GLU A 100 -6.454 9.310 -13.183 1.00 1.00 C ATOM 1593 O GLU A 100 -5.731 8.560 -13.839 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.719 8.633 -12.375 1.00 1.00 C ATOM 1595 CG GLU A 100 -8.874 7.548 -13.444 1.00 1.00 C ATOM 1596 CD GLU A 100 -10.351 7.339 -13.762 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -11.111 7.125 -12.832 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -10.700 7.397 -14.930 1.00 1.00 O ATOM 0 H GLU A 100 -7.994 9.984 -10.439 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.846 7.796 -11.711 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -9.312 8.379 -11.497 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -9.097 9.584 -12.751 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -8.336 7.836 -14.347 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -8.433 6.615 -13.094 1.00 1.00 H new ATOM 1605 N ALA A 101 -6.595 10.603 -13.454 1.00 1.00 N ATOM 1606 CA ALA A 101 -5.882 11.224 -14.567 1.00 1.00 C ATOM 1607 C ALA A 101 -4.372 11.196 -14.327 1.00 1.00 C ATOM 1608 O ALA A 101 -3.594 10.947 -15.248 1.00 1.00 O ATOM 1609 CB ALA A 101 -6.345 12.670 -14.746 1.00 1.00 C ATOM 0 H ALA A 101 -7.191 11.238 -12.924 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.103 10.658 -15.472 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.807 13.124 -15.578 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.415 12.686 -14.953 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.143 13.232 -13.834 1.00 1.00 H new ATOM 1615 N ARG A 102 -3.964 11.457 -13.089 1.00 1.00 N ATOM 1616 CA ARG A 102 -2.545 11.455 -12.743 1.00 1.00 C ATOM 1617 C ARG A 102 -1.936 10.068 -12.945 1.00 1.00 C ATOM 1618 O ARG A 102 -0.831 9.930 -13.474 1.00 1.00 O ATOM 1619 CB ARG A 102 -2.346 11.894 -11.279 1.00 1.00 C ATOM 1620 CG ARG A 102 -2.383 13.424 -11.153 1.00 1.00 C ATOM 1621 CD ARG A 102 -2.237 13.835 -9.671 1.00 1.00 C ATOM 1622 NE ARG A 102 -1.621 15.153 -9.576 1.00 1.00 N ATOM 1623 CZ ARG A 102 -2.236 16.241 -10.012 1.00 1.00 C ATOM 1624 NH1 ARG A 102 -3.418 16.150 -10.548 1.00 1.00 N ATOM 1625 NH2 ARG A 102 -1.655 17.403 -9.906 1.00 1.00 N ATOM 0 H ARG A 102 -4.590 11.671 -12.313 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.041 12.161 -13.403 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.125 11.455 -10.655 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -1.392 11.518 -10.909 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -1.579 13.865 -11.742 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -3.321 13.808 -11.555 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -3.215 13.847 -9.190 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -1.630 13.102 -9.140 1.00 1.00 H new ATOM 0 HE ARG A 102 -0.692 15.239 -9.163 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -3.871 15.240 -10.632 1.00 1.00 H new ATOM 0 HH12 ARG A 102 -3.892 16.989 -10.884 1.00 1.00 H new ATOM 0 HH21 ARG A 102 -0.727 17.473 -9.487 1.00 1.00 H new ATOM 0 HH22 ARG A 102 -2.128 18.242 -10.242 1.00 1.00 H new ATOM 1639 N ALA A 103 -2.651 9.033 -12.521 1.00 1.00 N ATOM 1640 CA ALA A 103 -2.160 7.668 -12.654 1.00 1.00 C ATOM 1641 C ALA A 103 -2.251 7.197 -14.099 1.00 1.00 C ATOM 1642 O ALA A 103 -1.474 6.348 -14.536 1.00 1.00 O ATOM 1643 CB ALA A 103 -2.975 6.739 -11.753 1.00 1.00 C ATOM 0 H ALA A 103 -3.569 9.113 -12.084 1.00 1.00 H new ATOM 0 HA ALA A 103 -1.113 7.645 -12.351 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.606 5.718 -11.854 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -2.876 7.059 -10.716 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -4.024 6.776 -12.046 1.00 1.00 H new ATOM 1649 N LYS A 104 -3.209 7.756 -14.830 1.00 1.00 N ATOM 1650 CA LYS A 104 -3.417 7.392 -16.237 1.00 1.00 C ATOM 1651 C LYS A 104 -2.702 8.380 -17.156 1.00 1.00 C ATOM 1652 O LYS A 104 -2.740 8.236 -18.379 1.00 1.00 O ATOM 1653 CB LYS A 104 -4.927 7.376 -16.544 1.00 1.00 C ATOM 1654 CG LYS A 104 -5.205 6.580 -17.829 1.00 1.00 C ATOM 1655 CD LYS A 104 -6.713 6.441 -18.038 1.00 1.00 C ATOM 1656 CE LYS A 104 -6.967 5.575 -19.273 1.00 1.00 C ATOM 1657 NZ LYS A 104 -6.481 6.290 -20.486 1.00 1.00 N ATOM 0 H LYS A 104 -3.855 8.462 -14.478 1.00 1.00 H new ATOM 0 HA LYS A 104 -3.002 6.400 -16.413 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -5.469 6.932 -15.709 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -5.293 8.397 -16.655 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -4.755 7.084 -18.684 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -4.746 5.594 -17.763 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -7.175 5.989 -17.160 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -7.167 7.423 -18.167 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -6.455 4.618 -19.172 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -8.031 5.359 -19.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -6.911 5.868 -21.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -6.746 7.294 -20.427 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -5.446 6.208 -20.546 1.00 1.00 H new ATOM 1671 N LEU A 105 -2.055 9.375 -16.560 1.00 1.00 N ATOM 1672 CA LEU A 105 -1.343 10.377 -17.341 1.00 1.00 C ATOM 1673 C LEU A 105 -0.319 9.693 -18.246 1.00 1.00 C ATOM 1674 O LEU A 105 0.727 9.229 -17.792 1.00 1.00 O ATOM 1675 CB LEU A 105 -0.644 11.379 -16.401 1.00 1.00 C ATOM 1676 CG LEU A 105 -0.390 12.719 -17.114 1.00 1.00 C ATOM 1677 CD1 LEU A 105 0.227 13.704 -16.118 1.00 1.00 C ATOM 1678 CD2 LEU A 105 0.561 12.523 -18.310 1.00 1.00 C ATOM 0 H LEU A 105 -2.009 9.508 -15.550 1.00 1.00 H new ATOM 0 HA LEU A 105 -2.054 10.921 -17.962 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -1.260 11.544 -15.517 1.00 1.00 H new ATOM 0 HB3 LEU A 105 0.302 10.961 -16.057 1.00 1.00 H new ATOM 0 HG LEU A 105 -1.336 13.111 -17.487 1.00 1.00 H new ATOM 0 HD11 LEU A 105 0.411 14.657 -16.615 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -0.458 13.856 -15.284 1.00 1.00 H new ATOM 0 HD13 LEU A 105 1.169 13.302 -15.745 1.00 1.00 H new ATOM 0 HD21 LEU A 105 0.729 13.481 -18.802 1.00 1.00 H new ATOM 0 HD22 LEU A 105 1.512 12.125 -17.957 1.00 1.00 H new ATOM 0 HD23 LEU A 105 0.116 11.825 -19.018 1.00 1.00 H new ATOM 1690 N GLU A 106 -0.628 9.634 -19.537 1.00 1.00 N ATOM 1691 CA GLU A 106 0.261 9.011 -20.518 1.00 1.00 C ATOM 1692 C GLU A 106 1.092 10.077 -21.226 1.00 1.00 C ATOM 1693 O GLU A 106 0.607 11.170 -21.517 1.00 1.00 O ATOM 1694 CB GLU A 106 -0.562 8.231 -21.547 1.00 1.00 C ATOM 1695 CG GLU A 106 0.378 7.453 -22.473 1.00 1.00 C ATOM 1696 CD GLU A 106 -0.426 6.606 -23.451 1.00 1.00 C ATOM 1697 OE1 GLU A 106 -1.620 6.828 -23.557 1.00 1.00 O ATOM 1698 OE2 GLU A 106 0.168 5.745 -24.080 1.00 1.00 O ATOM 0 H GLU A 106 -1.490 10.011 -19.932 1.00 1.00 H new ATOM 0 HA GLU A 106 0.931 8.325 -19.999 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -1.240 7.544 -21.040 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -1.178 8.916 -22.130 1.00 1.00 H new ATOM 0 HG2 GLU A 106 1.016 8.146 -23.021 1.00 1.00 H new ATOM 0 HG3 GLU A 106 1.035 6.814 -21.883 1.00 1.00 H new ATOM 1705 N HIS A 107 2.349 9.756 -21.507 1.00 1.00 N ATOM 1706 CA HIS A 107 3.249 10.691 -22.186 1.00 1.00 C ATOM 1707 C HIS A 107 3.053 10.605 -23.695 1.00 1.00 C ATOM 1708 O HIS A 107 2.392 9.696 -24.196 1.00 1.00 O ATOM 1709 CB HIS A 107 4.703 10.366 -21.837 1.00 1.00 C ATOM 1710 CG HIS A 107 4.945 10.592 -20.366 1.00 1.00 C ATOM 1711 ND1 HIS A 107 6.117 10.189 -19.744 1.00 1.00 N ATOM 1712 CD2 HIS A 107 4.185 11.179 -19.381 1.00 1.00 C ATOM 1713 CE1 HIS A 107 6.028 10.533 -18.445 1.00 1.00 C ATOM 1714 NE2 HIS A 107 4.872 11.138 -18.170 1.00 1.00 N ATOM 0 H HIS A 107 2.772 8.857 -21.277 1.00 1.00 H new ATOM 0 HA HIS A 107 3.018 11.703 -21.853 1.00 1.00 H new ATOM 0 HB2 HIS A 107 4.924 9.330 -22.095 1.00 1.00 H new ATOM 0 HB3 HIS A 107 5.375 10.992 -22.425 1.00 1.00 H new ATOM 0 HD2 HIS A 107 3.204 11.607 -19.525 1.00 1.00 H new ATOM 0 HE1 HIS A 107 6.800 10.342 -17.714 1.00 1.00 H new ATOM 0 HE2 HIS A 107 4.558 11.494 -17.267 1.00 1.00 H new ATOM 1723 N HIS A 108 3.624 11.558 -24.425 1.00 1.00 N ATOM 1724 CA HIS A 108 3.499 11.574 -25.875 1.00 1.00 C ATOM 1725 C HIS A 108 4.208 10.366 -26.474 1.00 1.00 C ATOM 1726 O HIS A 108 5.247 9.929 -25.976 1.00 1.00 O ATOM 1727 CB HIS A 108 4.112 12.855 -26.439 1.00 1.00 C ATOM 1728 CG HIS A 108 3.364 14.045 -25.905 1.00 1.00 C ATOM 1729 ND1 HIS A 108 2.106 14.396 -26.367 1.00 1.00 N ATOM 1730 CD2 HIS A 108 3.683 14.974 -24.946 1.00 1.00 C ATOM 1731 CE1 HIS A 108 1.716 15.493 -25.692 1.00 1.00 C ATOM 1732 NE2 HIS A 108 2.641 15.886 -24.812 1.00 1.00 N ATOM 0 H HIS A 108 4.174 12.324 -24.037 1.00 1.00 H new ATOM 0 HA HIS A 108 2.441 11.536 -26.135 1.00 1.00 H new ATOM 0 HB2 HIS A 108 5.164 12.920 -26.163 1.00 1.00 H new ATOM 0 HB3 HIS A 108 4.068 12.843 -27.528 1.00 1.00 H new ATOM 0 HD2 HIS A 108 4.603 14.994 -24.381 1.00 1.00 H new ATOM 0 HE1 HIS A 108 0.771 15.994 -25.843 1.00 1.00 H new ATOM 0 HE2 HIS A 108 2.594 16.684 -24.178 1.00 1.00 H new ATOM 1741 N HIS A 109 3.640 9.821 -27.545 1.00 1.00 N ATOM 1742 CA HIS A 109 4.216 8.652 -28.222 1.00 1.00 C ATOM 1743 C HIS A 109 4.459 8.950 -29.694 1.00 1.00 C ATOM 1744 O HIS A 109 3.601 9.497 -30.388 1.00 1.00 O ATOM 1745 CB HIS A 109 3.275 7.450 -28.095 1.00 1.00 C ATOM 1746 CG HIS A 109 3.969 6.214 -28.600 1.00 1.00 C ATOM 1747 ND1 HIS A 109 3.957 5.855 -29.938 1.00 1.00 N ATOM 1748 CD2 HIS A 109 4.712 5.250 -27.961 1.00 1.00 C ATOM 1749 CE1 HIS A 109 4.669 4.719 -30.060 1.00 1.00 C ATOM 1750 NE2 HIS A 109 5.151 4.308 -28.885 1.00 1.00 N ATOM 0 H HIS A 109 2.779 10.167 -27.968 1.00 1.00 H new ATOM 0 HA HIS A 109 5.168 8.419 -27.746 1.00 1.00 H new ATOM 0 HB2 HIS A 109 2.979 7.315 -27.055 1.00 1.00 H new ATOM 0 HB3 HIS A 109 2.363 7.627 -28.665 1.00 1.00 H new ATOM 0 HD2 HIS A 109 4.923 5.228 -26.902 1.00 1.00 H new ATOM 0 HE1 HIS A 109 4.831 4.203 -30.995 1.00 1.00 H new ATOM 0 HE2 HIS A 109 5.719 3.481 -28.704 1.00 1.00 H new ATOM 1759 N HIS A 110 5.646 8.586 -30.169 1.00 1.00 N ATOM 1760 CA HIS A 110 6.008 8.817 -31.567 1.00 1.00 C ATOM 1761 C HIS A 110 6.976 7.743 -32.051 1.00 1.00 C ATOM 1762 O HIS A 110 7.803 7.247 -31.288 1.00 1.00 O ATOM 1763 CB HIS A 110 6.653 10.197 -31.715 1.00 1.00 C ATOM 1764 CG HIS A 110 7.860 10.286 -30.819 1.00 1.00 C ATOM 1765 ND1 HIS A 110 7.752 10.498 -29.453 1.00 1.00 N ATOM 1766 CD2 HIS A 110 9.205 10.200 -31.081 1.00 1.00 C ATOM 1767 CE1 HIS A 110 9.000 10.530 -28.948 1.00 1.00 C ATOM 1768 NE2 HIS A 110 9.922 10.353 -29.898 1.00 1.00 N ATOM 0 H HIS A 110 6.371 8.133 -29.612 1.00 1.00 H new ATOM 0 HA HIS A 110 5.103 8.773 -32.173 1.00 1.00 H new ATOM 0 HB2 HIS A 110 6.944 10.365 -32.752 1.00 1.00 H new ATOM 0 HB3 HIS A 110 5.936 10.975 -31.455 1.00 1.00 H new ATOM 0 HD2 HIS A 110 9.640 10.038 -32.056 1.00 1.00 H new ATOM 0 HE1 HIS A 110 9.227 10.680 -27.903 1.00 1.00 H new ATOM 0 HE2 HIS A 110 10.935 10.334 -29.781 1.00 1.00 H new ATOM 1777 N HIS A 111 6.860 7.391 -33.328 1.00 1.00 N ATOM 1778 CA HIS A 111 7.725 6.372 -33.925 1.00 1.00 C ATOM 1779 C HIS A 111 9.016 6.998 -34.439 1.00 1.00 C ATOM 1780 O HIS A 111 9.067 8.193 -34.731 1.00 1.00 O ATOM 1781 CB HIS A 111 6.998 5.678 -35.078 1.00 1.00 C ATOM 1782 CG HIS A 111 6.626 6.692 -36.124 1.00 1.00 C ATOM 1783 ND1 HIS A 111 5.422 7.378 -36.091 1.00 1.00 N ATOM 1784 CD2 HIS A 111 7.284 7.144 -37.240 1.00 1.00 C ATOM 1785 CE1 HIS A 111 5.393 8.198 -37.157 1.00 1.00 C ATOM 1786 NE2 HIS A 111 6.505 8.095 -37.892 1.00 1.00 N ATOM 0 H HIS A 111 6.178 7.794 -33.970 1.00 1.00 H new ATOM 0 HA HIS A 111 7.971 5.638 -33.157 1.00 1.00 H new ATOM 0 HB2 HIS A 111 7.636 4.909 -35.513 1.00 1.00 H new ATOM 0 HB3 HIS A 111 6.103 5.177 -34.708 1.00 1.00 H new ATOM 0 HD2 HIS A 111 8.259 6.812 -37.564 1.00 1.00 H new ATOM 0 HE1 HIS A 111 4.571 8.859 -37.391 1.00 1.00 H new ATOM 0 HE2 HIS A 111 6.733 8.604 -38.746 1.00 1.00 H new ATOM 1795 N HIS A 112 10.059 6.182 -34.547 1.00 1.00 N ATOM 1796 CA HIS A 112 11.346 6.667 -35.026 1.00 1.00 C ATOM 1797 C HIS A 112 12.291 5.500 -35.293 1.00 1.00 C ATOM 1798 O HIS A 112 11.936 4.385 -34.951 1.00 1.00 O ATOM 1799 CB HIS A 112 11.966 7.609 -33.991 1.00 1.00 C ATOM 1800 CG HIS A 112 13.283 8.129 -34.505 1.00 1.00 C ATOM 1801 ND1 HIS A 112 13.359 9.099 -35.492 1.00 1.00 N ATOM 1802 CD2 HIS A 112 14.580 7.821 -34.178 1.00 1.00 C ATOM 1803 CE1 HIS A 112 14.663 9.339 -35.725 1.00 1.00 C ATOM 1804 NE2 HIS A 112 15.449 8.586 -34.950 1.00 1.00 N ATOM 1805 OXT HIS A 112 13.359 5.740 -35.834 1.00 1.00 O ATOM 0 H HIS A 112 10.039 5.190 -34.311 1.00 1.00 H new ATOM 0 HA HIS A 112 11.188 7.209 -35.958 1.00 1.00 H new ATOM 0 HB2 HIS A 112 11.290 8.440 -33.789 1.00 1.00 H new ATOM 0 HB3 HIS A 112 12.115 7.082 -33.048 1.00 1.00 H new ATOM 0 HD2 HIS A 112 14.880 7.096 -33.436 1.00 1.00 H new ATOM 0 HE1 HIS A 112 15.029 10.052 -36.449 1.00 1.00 H new ATOM 0 HE2 HIS A 112 16.469 8.574 -34.929 1.00 1.00 H new TER 1814 HIS A 112