USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 918 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 39 MET CE :methyl -170:sc= -3.42! (180deg=-3.23) USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.3: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 97 THR OG1 : rot 102:sc= 1.97 USER MOD Set 1.5: A 101 ASN : amide:sc=0.000485 K(o=-0.43,f=-5.8) USER MOD Set 2.1: A 26 THR OG1 : rot -70:sc= 2.41 USER MOD Set 2.2: A 51 SER OG : rot -51:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.0152 (180deg=-0.167) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.71) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0099 USER MOD Single : A 13 GLN : amide:sc= -0.0193 K(o=-0.019,f=-2.2!) USER MOD Single : A 17 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.091) USER MOD Single : A 19 SER OG : rot 75:sc= 1.11 USER MOD Single : A 22 ASN : amide:sc= 0.465 K(o=0.46,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ -142:sc=-0.00388 (180deg=-0.667) USER MOD Single : A 27 CYS SG : rot -145:sc= -2.06 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.152 K(o=0.15,f=-7.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0089 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0651) USER MOD Single : A 37 ASN : amide:sc= 0.393 K(o=0.39,f=-4.1!) USER MOD Single : A 38 GLN : amide:sc=-0.00623 K(o=-0.0062,f=-1) USER MOD Single : A 40 THR OG1 : rot 126:sc= 0.308 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 87:sc= 1.01 USER MOD Single : A 59 ASN : amide:sc= 0.59 K(o=0.59,f=-0.021) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.85! C(o=-1.8!,f=-3.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0327 (180deg=-0.367) USER MOD Single : A 88 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 90 ASN : amide:sc= 1.04 K(o=1,f=-0.54) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 72:sc= 0.381 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -13:sc= 1.06 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 23:sc= 0.794 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.542 -24.293 -0.905 1.00 0.00 N ATOM 2 CA MET A 1 -10.273 -23.011 -1.571 1.00 0.00 C ATOM 3 C MET A 1 -11.482 -22.092 -1.403 1.00 0.00 C ATOM 4 O MET A 1 -12.260 -21.880 -2.339 1.00 0.00 O ATOM 5 CB MET A 1 -9.894 -23.207 -3.045 1.00 0.00 C ATOM 6 CG MET A 1 -8.448 -23.691 -3.202 1.00 0.00 C ATOM 7 SD MET A 1 -7.974 -24.123 -4.901 1.00 0.00 S ATOM 8 CE MET A 1 -8.245 -22.541 -5.750 1.00 0.00 C ATOM 0 H1 MET A 1 -9.696 -24.896 -0.958 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.783 -24.122 0.092 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.337 -24.769 -1.377 1.00 0.00 H new ATOM 0 HA MET A 1 -9.411 -22.539 -1.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.571 -23.930 -3.501 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.023 -22.267 -3.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.777 -22.913 -2.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.300 -24.563 -2.565 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.832 -22.593 -6.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.314 -22.337 -5.806 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.751 -21.742 -5.197 1.00 0.00 H new ATOM 18 N TYR A 2 -11.652 -21.522 -0.210 1.00 0.00 N ATOM 19 CA TYR A 2 -12.736 -20.611 0.118 1.00 0.00 C ATOM 20 C TYR A 2 -12.146 -19.360 0.750 1.00 0.00 C ATOM 21 O TYR A 2 -12.194 -18.309 0.130 1.00 0.00 O ATOM 22 CB TYR A 2 -13.770 -21.314 0.998 1.00 0.00 C ATOM 23 CG TYR A 2 -14.984 -20.468 1.323 1.00 0.00 C ATOM 24 CD1 TYR A 2 -15.816 -19.997 0.290 1.00 0.00 C ATOM 25 CD2 TYR A 2 -15.306 -20.179 2.660 1.00 0.00 C ATOM 26 CE1 TYR A 2 -16.959 -19.235 0.589 1.00 0.00 C ATOM 27 CE2 TYR A 2 -16.473 -19.459 2.969 1.00 0.00 C ATOM 28 CZ TYR A 2 -17.289 -18.953 1.932 1.00 0.00 C ATOM 29 OH TYR A 2 -18.390 -18.202 2.205 1.00 0.00 O ATOM 0 H TYR A 2 -11.019 -21.689 0.573 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.272 -20.302 -0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.099 -22.224 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.292 -21.618 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -15.575 -20.222 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -14.654 -20.512 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -17.585 -18.865 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -16.746 -19.292 4.000 1.00 0.00 H new ATOM 0 HH TYR A 2 -18.482 -18.098 3.175 1.00 0.00 H new ATOM 39 N THR A 3 -11.580 -19.448 1.956 1.00 0.00 N ATOM 40 CA THR A 3 -10.860 -18.353 2.621 1.00 0.00 C ATOM 41 C THR A 3 -11.790 -17.190 3.032 1.00 0.00 C ATOM 42 O THR A 3 -11.377 -16.247 3.712 1.00 0.00 O ATOM 43 CB THR A 3 -9.638 -17.964 1.752 1.00 0.00 C ATOM 44 OG1 THR A 3 -8.850 -19.118 1.478 1.00 0.00 O ATOM 45 CG2 THR A 3 -8.696 -16.971 2.419 1.00 0.00 C ATOM 0 H THR A 3 -11.609 -20.302 2.513 1.00 0.00 H new ATOM 0 HA THR A 3 -10.470 -18.686 3.583 1.00 0.00 H new ATOM 0 HB THR A 3 -10.063 -17.510 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.080 -18.865 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.866 -16.749 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.236 -16.052 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.310 -17.400 3.343 1.00 0.00 H new ATOM 53 N GLU A 4 -13.086 -17.382 2.807 1.00 0.00 N ATOM 54 CA GLU A 4 -14.214 -16.595 3.251 1.00 0.00 C ATOM 55 C GLU A 4 -14.162 -15.132 2.778 1.00 0.00 C ATOM 56 O GLU A 4 -13.405 -14.780 1.860 1.00 0.00 O ATOM 57 CB GLU A 4 -14.383 -16.828 4.767 1.00 0.00 C ATOM 58 CG GLU A 4 -15.845 -16.999 5.196 1.00 0.00 C ATOM 59 CD GLU A 4 -16.420 -15.788 5.905 1.00 0.00 C ATOM 60 OE1 GLU A 4 -16.252 -15.689 7.140 1.00 0.00 O ATOM 61 OE2 GLU A 4 -17.090 -14.992 5.225 1.00 0.00 O ATOM 0 H GLU A 4 -13.396 -18.178 2.250 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.134 -16.928 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.821 -17.716 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.949 -15.987 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.450 -17.214 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.922 -17.864 5.854 1.00 0.00 H new ATOM 68 N GLN A 5 -15.043 -14.303 3.340 1.00 0.00 N ATOM 69 CA GLN A 5 -15.143 -12.868 3.110 1.00 0.00 C ATOM 70 C GLN A 5 -13.790 -12.162 3.245 1.00 0.00 C ATOM 71 O GLN A 5 -12.938 -12.593 4.033 1.00 0.00 O ATOM 72 CB GLN A 5 -16.087 -12.247 4.157 1.00 0.00 C ATOM 73 CG GLN A 5 -17.564 -12.211 3.743 1.00 0.00 C ATOM 74 CD GLN A 5 -17.907 -10.940 2.967 1.00 0.00 C ATOM 75 OE1 GLN A 5 -17.594 -9.829 3.401 1.00 0.00 O ATOM 76 NE2 GLN A 5 -18.565 -11.041 1.830 1.00 0.00 N ATOM 0 H GLN A 5 -15.742 -14.637 4.003 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.515 -12.735 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.997 -12.809 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.757 -11.230 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.791 -13.083 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.192 -12.274 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.824 -11.960 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.815 -10.200 1.309 1.00 0.00 H new ATOM 85 N PRO A 6 -13.637 -11.004 2.582 1.00 0.00 N ATOM 86 CA PRO A 6 -12.581 -10.070 2.905 1.00 0.00 C ATOM 87 C PRO A 6 -12.737 -9.493 4.295 1.00 0.00 C ATOM 88 O PRO A 6 -13.843 -9.393 4.831 1.00 0.00 O ATOM 89 CB PRO A 6 -12.611 -9.014 1.805 1.00 0.00 C ATOM 90 CG PRO A 6 -14.069 -9.007 1.357 1.00 0.00 C ATOM 91 CD PRO A 6 -14.489 -10.464 1.530 1.00 0.00 C ATOM 0 HA PRO A 6 -11.607 -10.559 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.301 -8.038 2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.940 -9.270 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.675 -8.337 1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.172 -8.677 0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.541 -10.537 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.362 -11.020 0.601 1.00 0.00 H new ATOM 99 N ILE A 7 -11.603 -9.075 4.855 1.00 0.00 N ATOM 100 CA ILE A 7 -11.520 -8.474 6.165 1.00 0.00 C ATOM 101 C ILE A 7 -12.022 -7.044 6.011 1.00 0.00 C ATOM 102 O ILE A 7 -11.222 -6.131 5.886 1.00 0.00 O ATOM 103 CB ILE A 7 -10.089 -8.528 6.763 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.378 -9.897 6.727 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.192 -8.090 8.232 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.852 -10.290 5.340 1.00 0.00 C ATOM 0 H ILE A 7 -10.699 -9.152 4.390 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.131 -9.030 6.876 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.482 -7.876 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.545 -9.881 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.071 -10.664 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.203 -8.115 8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.590 -7.076 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.857 -8.768 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.366 -11.264 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.683 -10.341 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.133 -9.545 4.999 1.00 0.00 H new ATOM 118 N ASP A 8 -13.338 -6.857 5.932 1.00 0.00 N ATOM 119 CA ASP A 8 -14.011 -5.572 5.723 1.00 0.00 C ATOM 120 C ASP A 8 -13.428 -4.740 4.571 1.00 0.00 C ATOM 121 O ASP A 8 -13.561 -3.512 4.553 1.00 0.00 O ATOM 122 CB ASP A 8 -14.091 -4.802 7.062 1.00 0.00 C ATOM 123 CG ASP A 8 -15.530 -4.513 7.486 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.269 -3.846 6.738 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.938 -4.901 8.612 1.00 0.00 O ATOM 0 H ASP A 8 -13.996 -7.632 6.016 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.027 -5.782 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.596 -5.382 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.547 -3.862 6.970 1.00 0.00 H new ATOM 130 N LEU A 9 -12.732 -5.401 3.635 1.00 0.00 N ATOM 131 CA LEU A 9 -11.959 -4.739 2.609 1.00 0.00 C ATOM 132 C LEU A 9 -12.904 -4.078 1.624 1.00 0.00 C ATOM 133 O LEU A 9 -13.737 -4.749 1.010 1.00 0.00 O ATOM 134 CB LEU A 9 -11.051 -5.742 1.893 1.00 0.00 C ATOM 135 CG LEU A 9 -9.834 -5.026 1.308 1.00 0.00 C ATOM 136 CD1 LEU A 9 -8.783 -4.814 2.388 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.176 -5.878 0.242 1.00 0.00 C ATOM 0 H LEU A 9 -12.698 -6.419 3.580 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.325 -3.979 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.727 -6.514 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.605 -6.243 1.099 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.183 -4.079 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.920 -4.303 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.203 -4.208 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.472 -5.779 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.312 -5.351 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.853 -6.823 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.889 -6.074 -0.559 1.00 0.00 H new ATOM 149 N VAL A 10 -12.738 -2.775 1.444 1.00 0.00 N ATOM 150 CA VAL A 10 -13.630 -1.950 0.650 1.00 0.00 C ATOM 151 C VAL A 10 -12.821 -1.252 -0.439 1.00 0.00 C ATOM 152 O VAL A 10 -11.739 -0.723 -0.166 1.00 0.00 O ATOM 153 CB VAL A 10 -14.470 -0.987 1.501 1.00 0.00 C ATOM 154 CG1 VAL A 10 -15.693 -1.707 2.080 1.00 0.00 C ATOM 155 CG2 VAL A 10 -13.659 -0.339 2.619 1.00 0.00 C ATOM 0 H VAL A 10 -11.963 -2.254 1.855 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.371 -2.590 0.170 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.804 -0.188 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.276 -1.008 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.310 -2.089 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.364 -2.537 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.299 0.333 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.265 -1.113 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.833 0.227 2.188 1.00 0.00 H new ATOM 165 N PRO A 11 -13.277 -1.294 -1.697 1.00 0.00 N ATOM 166 CA PRO A 11 -12.599 -0.631 -2.796 1.00 0.00 C ATOM 167 C PRO A 11 -12.789 0.882 -2.677 1.00 0.00 C ATOM 168 O PRO A 11 -13.759 1.366 -2.084 1.00 0.00 O ATOM 169 CB PRO A 11 -13.198 -1.240 -4.073 1.00 0.00 C ATOM 170 CG PRO A 11 -14.255 -2.221 -3.582 1.00 0.00 C ATOM 171 CD PRO A 11 -14.551 -1.805 -2.159 1.00 0.00 C ATOM 0 HA PRO A 11 -11.519 -0.781 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.638 -0.471 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.435 -1.745 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.152 -2.176 -4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.890 -3.247 -3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.331 -1.045 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.891 -2.646 -1.555 1.00 0.00 H new ATOM 179 N THR A 12 -11.848 1.644 -3.226 1.00 0.00 N ATOM 180 CA THR A 12 -11.931 3.095 -3.227 1.00 0.00 C ATOM 181 C THR A 12 -11.195 3.667 -4.450 1.00 0.00 C ATOM 182 O THR A 12 -10.769 2.925 -5.343 1.00 0.00 O ATOM 183 CB THR A 12 -11.470 3.623 -1.845 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.036 4.889 -1.617 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.951 3.696 -1.665 1.00 0.00 C ATOM 0 H THR A 12 -11.013 1.273 -3.679 1.00 0.00 H new ATOM 0 HA THR A 12 -12.956 3.446 -3.347 1.00 0.00 H new ATOM 0 HB THR A 12 -11.819 2.895 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.747 5.224 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.720 4.076 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.523 2.701 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.527 4.364 -2.415 1.00 0.00 H new ATOM 193 N GLN A 13 -11.069 4.993 -4.505 1.00 0.00 N ATOM 194 CA GLN A 13 -10.415 5.749 -5.564 1.00 0.00 C ATOM 195 C GLN A 13 -9.478 6.802 -4.953 1.00 0.00 C ATOM 196 O GLN A 13 -9.645 7.131 -3.775 1.00 0.00 O ATOM 197 CB GLN A 13 -11.470 6.376 -6.494 1.00 0.00 C ATOM 198 CG GLN A 13 -12.297 7.546 -5.931 1.00 0.00 C ATOM 199 CD GLN A 13 -13.545 7.181 -5.125 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.765 6.058 -4.670 1.00 0.00 O ATOM 201 NE2 GLN A 13 -14.423 8.143 -4.942 1.00 0.00 N ATOM 0 H GLN A 13 -11.441 5.597 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.804 5.081 -6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.963 6.723 -7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.161 5.590 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.646 8.148 -5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.603 8.178 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.245 9.075 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.282 7.958 -4.425 1.00 0.00 H new ATOM 210 N PRO A 14 -8.517 7.343 -5.725 1.00 0.00 N ATOM 211 CA PRO A 14 -7.675 8.451 -5.294 1.00 0.00 C ATOM 212 C PRO A 14 -8.393 9.796 -5.476 1.00 0.00 C ATOM 213 O PRO A 14 -9.349 9.907 -6.248 1.00 0.00 O ATOM 214 CB PRO A 14 -6.437 8.363 -6.191 1.00 0.00 C ATOM 215 CG PRO A 14 -6.977 7.800 -7.505 1.00 0.00 C ATOM 216 CD PRO A 14 -8.175 6.944 -7.085 1.00 0.00 C ATOM 0 HA PRO A 14 -7.424 8.390 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.977 9.341 -6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.676 7.712 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.276 8.597 -8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.224 7.205 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.018 7.101 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.927 5.883 -7.127 1.00 0.00 H new ATOM 224 N LEU A 15 -7.865 10.833 -4.823 1.00 0.00 N ATOM 225 CA LEU A 15 -8.344 12.211 -4.916 1.00 0.00 C ATOM 226 C LEU A 15 -8.209 12.790 -6.325 1.00 0.00 C ATOM 227 O LEU A 15 -7.349 12.361 -7.102 1.00 0.00 O ATOM 228 CB LEU A 15 -7.547 13.102 -3.943 1.00 0.00 C ATOM 229 CG LEU A 15 -7.998 12.930 -2.486 1.00 0.00 C ATOM 230 CD1 LEU A 15 -6.843 12.345 -1.666 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.526 14.261 -1.932 1.00 0.00 C ATOM 0 H LEU A 15 -7.067 10.732 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.403 12.195 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.486 12.863 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.661 14.146 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.828 12.226 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.159 12.221 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.559 11.376 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.989 13.021 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.842 14.125 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.737 15.011 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.374 14.593 -2.530 1.00 0.00 H new ATOM 243 N PRO A 16 -8.960 13.867 -6.613 1.00 0.00 N ATOM 244 CA PRO A 16 -8.657 14.739 -7.732 1.00 0.00 C ATOM 245 C PRO A 16 -7.261 15.333 -7.527 1.00 0.00 C ATOM 246 O PRO A 16 -6.917 15.762 -6.422 1.00 0.00 O ATOM 247 CB PRO A 16 -9.755 15.806 -7.720 1.00 0.00 C ATOM 248 CG PRO A 16 -10.173 15.887 -6.256 1.00 0.00 C ATOM 249 CD PRO A 16 -9.983 14.465 -5.759 1.00 0.00 C ATOM 0 HA PRO A 16 -8.642 14.229 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.384 16.765 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.592 15.525 -8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.556 16.593 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.207 16.215 -6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.672 14.456 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.916 13.904 -5.818 1.00 0.00 H new ATOM 257 N ASN A 17 -6.448 15.384 -8.584 1.00 0.00 N ATOM 258 CA ASN A 17 -5.078 15.927 -8.597 1.00 0.00 C ATOM 259 C ASN A 17 -4.127 15.187 -7.657 1.00 0.00 C ATOM 260 O ASN A 17 -3.013 15.675 -7.450 1.00 0.00 O ATOM 261 CB ASN A 17 -5.003 17.433 -8.261 1.00 0.00 C ATOM 262 CG ASN A 17 -6.200 18.217 -8.735 1.00 0.00 C ATOM 263 OD1 ASN A 17 -6.290 18.607 -9.894 1.00 0.00 O ATOM 264 ND2 ASN A 17 -7.187 18.360 -7.874 1.00 0.00 N ATOM 0 H ASN A 17 -6.735 15.033 -9.498 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.761 15.777 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.906 17.552 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.103 17.853 -8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.057 18.806 -8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.081 18.025 -6.916 1.00 0.00 H new ATOM 271 N ALA A 18 -4.551 14.065 -7.052 1.00 0.00 N ATOM 272 CA ALA A 18 -3.748 13.297 -6.099 1.00 0.00 C ATOM 273 C ALA A 18 -2.333 13.176 -6.640 1.00 0.00 C ATOM 274 O ALA A 18 -2.156 12.671 -7.755 1.00 0.00 O ATOM 275 CB ALA A 18 -4.310 11.901 -5.827 1.00 0.00 C ATOM 0 H ALA A 18 -5.475 13.664 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.765 13.833 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.669 11.384 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.316 11.987 -5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.346 11.336 -6.758 1.00 0.00 H new ATOM 281 N SER A 19 -1.357 13.656 -5.876 1.00 0.00 N ATOM 282 CA SER A 19 0.033 13.756 -6.249 1.00 0.00 C ATOM 283 C SER A 19 0.822 13.528 -4.972 1.00 0.00 C ATOM 284 O SER A 19 0.381 13.899 -3.883 1.00 0.00 O ATOM 285 CB SER A 19 0.308 15.137 -6.829 1.00 0.00 C ATOM 286 OG SER A 19 -0.327 15.272 -8.088 1.00 0.00 O ATOM 0 H SER A 19 -1.533 14.001 -4.933 1.00 0.00 H new ATOM 0 HA SER A 19 0.312 13.028 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.054 15.905 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.382 15.287 -6.937 1.00 0.00 H new ATOM 0 HG SER A 19 -1.290 15.401 -7.957 1.00 0.00 H new ATOM 292 N PHE A 20 1.927 12.815 -5.122 1.00 0.00 N ATOM 293 CA PHE A 20 2.800 12.395 -4.063 1.00 0.00 C ATOM 294 C PHE A 20 3.419 13.616 -3.389 1.00 0.00 C ATOM 295 O PHE A 20 3.423 14.730 -3.924 1.00 0.00 O ATOM 296 CB PHE A 20 3.852 11.466 -4.692 1.00 0.00 C ATOM 297 CG PHE A 20 4.888 10.876 -3.762 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.513 10.161 -2.608 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.247 11.074 -4.055 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.504 9.656 -1.749 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.235 10.571 -3.199 1.00 0.00 C ATOM 302 CZ PHE A 20 6.861 9.875 -2.037 1.00 0.00 C ATOM 0 H PHE A 20 2.247 12.503 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 20 2.267 11.853 -3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.329 10.645 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.373 12.022 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.469 10.002 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.532 11.617 -4.944 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.222 9.100 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.280 10.717 -3.431 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.620 9.507 -1.363 1.00 0.00 H new ATOM 312 N ASP A 21 3.974 13.379 -2.211 1.00 0.00 N ATOM 313 CA ASP A 21 4.555 14.373 -1.336 1.00 0.00 C ATOM 314 C ASP A 21 5.825 13.739 -0.780 1.00 0.00 C ATOM 315 O ASP A 21 5.989 12.527 -0.891 1.00 0.00 O ATOM 316 CB ASP A 21 3.592 14.699 -0.184 1.00 0.00 C ATOM 317 CG ASP A 21 2.181 15.063 -0.643 1.00 0.00 C ATOM 318 OD1 ASP A 21 1.979 16.244 -1.009 1.00 0.00 O ATOM 319 OD2 ASP A 21 1.293 14.182 -0.545 1.00 0.00 O ATOM 0 H ASP A 21 4.032 12.437 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 21 4.759 15.303 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.536 13.840 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.000 15.527 0.395 1.00 0.00 H new ATOM 324 N ASN A 22 6.705 14.479 -0.107 1.00 0.00 N ATOM 325 CA ASN A 22 7.982 13.933 0.370 1.00 0.00 C ATOM 326 C ASN A 22 7.820 12.974 1.568 1.00 0.00 C ATOM 327 O ASN A 22 8.758 12.818 2.350 1.00 0.00 O ATOM 328 CB ASN A 22 8.997 15.072 0.649 1.00 0.00 C ATOM 329 CG ASN A 22 10.254 14.937 -0.212 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.185 14.792 -1.430 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.436 15.010 0.370 1.00 0.00 N ATOM 0 H ASN A 22 6.559 15.462 0.123 1.00 0.00 H new ATOM 0 HA ASN A 22 8.389 13.317 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.525 16.035 0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.275 15.061 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.285 14.946 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.500 15.130 1.381 1.00 0.00 H new ATOM 338 N PHE A 23 6.648 12.364 1.796 1.00 0.00 N ATOM 339 CA PHE A 23 6.524 11.322 2.808 1.00 0.00 C ATOM 340 C PHE A 23 7.361 10.112 2.403 1.00 0.00 C ATOM 341 O PHE A 23 7.528 9.803 1.222 1.00 0.00 O ATOM 342 CB PHE A 23 5.064 10.930 3.105 1.00 0.00 C ATOM 343 CG PHE A 23 4.284 10.127 2.068 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.458 8.732 1.942 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.264 10.753 1.325 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.643 7.988 1.072 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.442 10.008 0.462 1.00 0.00 C ATOM 348 CZ PHE A 23 2.633 8.622 0.331 1.00 0.00 C ATOM 0 H PHE A 23 5.785 12.576 1.296 1.00 0.00 H new ATOM 0 HA PHE A 23 6.907 11.728 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.060 10.359 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.509 11.849 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.223 8.233 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.112 11.818 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.794 6.923 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.663 10.501 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.007 8.048 -0.336 1.00 0.00 H new ATOM 358 N LYS A 24 7.847 9.393 3.405 1.00 0.00 N ATOM 359 CA LYS A 24 8.399 8.063 3.262 1.00 0.00 C ATOM 360 C LYS A 24 7.343 7.108 3.761 1.00 0.00 C ATOM 361 O LYS A 24 6.585 7.425 4.683 1.00 0.00 O ATOM 362 CB LYS A 24 9.680 7.975 4.092 1.00 0.00 C ATOM 363 CG LYS A 24 10.320 6.583 4.134 1.00 0.00 C ATOM 364 CD LYS A 24 11.678 6.580 4.849 1.00 0.00 C ATOM 365 CE LYS A 24 12.542 5.426 4.321 1.00 0.00 C ATOM 366 NZ LYS A 24 13.022 4.518 5.376 1.00 0.00 N ATOM 0 H LYS A 24 7.866 9.734 4.366 1.00 0.00 H new ATOM 0 HA LYS A 24 8.657 7.821 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.406 8.682 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.459 8.289 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.646 5.892 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.449 6.215 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.186 7.530 4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.533 6.475 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.964 4.853 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.400 5.839 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.994 4.218 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.007 5.011 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.404 3.683 5.423 1.00 0.00 H new ATOM 380 N LEU A 25 7.348 5.906 3.208 1.00 0.00 N ATOM 381 CA LEU A 25 6.664 4.782 3.828 1.00 0.00 C ATOM 382 C LEU A 25 7.724 3.773 4.233 1.00 0.00 C ATOM 383 O LEU A 25 8.820 3.741 3.678 1.00 0.00 O ATOM 384 CB LEU A 25 5.510 4.240 2.959 1.00 0.00 C ATOM 385 CG LEU A 25 5.791 4.069 1.454 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.641 2.828 1.162 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.492 3.905 0.664 1.00 0.00 C ATOM 0 H LEU A 25 7.818 5.683 2.331 1.00 0.00 H new ATOM 0 HA LEU A 25 6.138 5.086 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.209 3.272 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.658 4.910 3.071 1.00 0.00 H new ATOM 0 HG LEU A 25 6.325 4.970 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.813 2.749 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.598 2.913 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.118 1.938 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.723 3.786 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.958 3.024 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.868 4.788 0.803 1.00 0.00 H new ATOM 399 N THR A 26 7.413 2.968 5.230 1.00 0.00 N ATOM 400 CA THR A 26 8.269 1.944 5.796 1.00 0.00 C ATOM 401 C THR A 26 7.352 0.725 5.998 1.00 0.00 C ATOM 402 O THR A 26 6.140 0.827 5.793 1.00 0.00 O ATOM 403 CB THR A 26 8.967 2.477 7.069 1.00 0.00 C ATOM 404 OG1 THR A 26 8.042 2.605 8.118 1.00 0.00 O ATOM 405 CG2 THR A 26 9.611 3.866 6.925 1.00 0.00 C ATOM 0 H THR A 26 6.505 3.014 5.693 1.00 0.00 H new ATOM 0 HA THR A 26 9.102 1.651 5.157 1.00 0.00 H new ATOM 0 HB THR A 26 9.749 1.742 7.261 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.425 3.341 7.922 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.074 4.152 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.370 3.836 6.143 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.846 4.596 6.660 1.00 0.00 H new ATOM 413 N CYS A 27 7.869 -0.440 6.375 1.00 0.00 N ATOM 414 CA CYS A 27 7.095 -1.677 6.454 1.00 0.00 C ATOM 415 C CYS A 27 7.862 -2.661 7.338 1.00 0.00 C ATOM 416 O CYS A 27 9.077 -2.524 7.498 1.00 0.00 O ATOM 417 CB CYS A 27 7.032 -2.291 5.051 1.00 0.00 C ATOM 418 SG CYS A 27 6.013 -1.483 3.779 1.00 0.00 S ATOM 0 H CYS A 27 8.848 -0.555 6.637 1.00 0.00 H new ATOM 0 HA CYS A 27 6.098 -1.478 6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.052 -2.346 4.670 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.676 -3.316 5.156 1.00 0.00 H new ATOM 0 HG CYS A 27 5.491 -2.386 3.003 1.00 0.00 H new ATOM 424 N SER A 28 7.204 -3.722 7.800 1.00 0.00 N ATOM 425 CA SER A 28 7.842 -4.833 8.512 1.00 0.00 C ATOM 426 C SER A 28 8.803 -5.684 7.672 1.00 0.00 C ATOM 427 O SER A 28 9.514 -6.534 8.212 1.00 0.00 O ATOM 428 CB SER A 28 6.753 -5.720 9.096 1.00 0.00 C ATOM 429 OG SER A 28 5.972 -5.025 10.047 1.00 0.00 O ATOM 0 H SER A 28 6.197 -3.838 7.690 1.00 0.00 H new ATOM 0 HA SER A 28 8.466 -4.382 9.284 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.111 -6.085 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.206 -6.593 9.565 1.00 0.00 H new ATOM 0 HG SER A 28 5.281 -5.622 10.402 1.00 0.00 H new ATOM 435 N ASN A 29 8.833 -5.477 6.359 1.00 0.00 N ATOM 436 CA ASN A 29 9.855 -5.972 5.449 1.00 0.00 C ATOM 437 C ASN A 29 10.446 -4.747 4.772 1.00 0.00 C ATOM 438 O ASN A 29 9.706 -3.975 4.160 1.00 0.00 O ATOM 439 CB ASN A 29 9.246 -6.920 4.417 1.00 0.00 C ATOM 440 CG ASN A 29 10.286 -7.436 3.425 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.919 -6.686 2.689 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.523 -8.729 3.390 1.00 0.00 N ATOM 0 H ASN A 29 8.113 -4.935 5.881 1.00 0.00 H new ATOM 0 HA ASN A 29 10.620 -6.537 5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.784 -7.764 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.454 -6.404 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.229 -9.101 2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.001 -9.360 3.999 1.00 0.00 H new ATOM 449 N THR A 30 11.748 -4.544 4.908 1.00 0.00 N ATOM 450 CA THR A 30 12.429 -3.388 4.342 1.00 0.00 C ATOM 451 C THR A 30 12.306 -3.326 2.810 1.00 0.00 C ATOM 452 O THR A 30 11.870 -2.301 2.289 1.00 0.00 O ATOM 453 CB THR A 30 13.879 -3.345 4.850 1.00 0.00 C ATOM 454 OG1 THR A 30 14.487 -4.617 4.733 1.00 0.00 O ATOM 455 CG2 THR A 30 13.907 -2.933 6.329 1.00 0.00 C ATOM 0 H THR A 30 12.365 -5.178 5.416 1.00 0.00 H new ATOM 0 HA THR A 30 11.934 -2.481 4.688 1.00 0.00 H new ATOM 0 HB THR A 30 14.424 -2.620 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.410 -4.570 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.939 -2.905 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.460 -1.945 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.343 -3.655 6.919 1.00 0.00 H new ATOM 463 N LYS A 31 12.615 -4.401 2.065 1.00 0.00 N ATOM 464 CA LYS A 31 12.407 -4.427 0.607 1.00 0.00 C ATOM 465 C LYS A 31 10.981 -4.032 0.256 1.00 0.00 C ATOM 466 O LYS A 31 10.804 -3.277 -0.691 1.00 0.00 O ATOM 467 CB LYS A 31 12.750 -5.789 -0.035 1.00 0.00 C ATOM 468 CG LYS A 31 12.167 -6.003 -1.457 1.00 0.00 C ATOM 469 CD LYS A 31 12.666 -5.013 -2.527 1.00 0.00 C ATOM 470 CE LYS A 31 14.035 -5.355 -3.113 1.00 0.00 C ATOM 471 NZ LYS A 31 14.012 -6.573 -3.943 1.00 0.00 N ATOM 0 H LYS A 31 13.009 -5.261 2.447 1.00 0.00 H new ATOM 0 HA LYS A 31 13.101 -3.696 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.834 -5.889 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.385 -6.584 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.407 -7.015 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.081 -5.935 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.937 -4.974 -3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.710 -4.016 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.387 -4.517 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.750 -5.487 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.916 -6.665 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.869 -7.405 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.235 -6.510 -4.631 1.00 0.00 H new ATOM 485 N PHE A 32 9.975 -4.554 0.960 1.00 0.00 N ATOM 486 CA PHE A 32 8.585 -4.267 0.631 1.00 0.00 C ATOM 487 C PHE A 32 8.354 -2.760 0.570 1.00 0.00 C ATOM 488 O PHE A 32 7.862 -2.258 -0.433 1.00 0.00 O ATOM 489 CB PHE A 32 7.683 -4.918 1.676 1.00 0.00 C ATOM 490 CG PHE A 32 6.191 -4.910 1.409 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.692 -5.326 0.163 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.287 -4.582 2.436 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.309 -5.414 -0.058 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.902 -4.639 2.208 1.00 0.00 C ATOM 495 CZ PHE A 32 3.411 -5.064 0.965 1.00 0.00 C ATOM 0 H PHE A 32 10.100 -5.176 1.759 1.00 0.00 H new ATOM 0 HA PHE A 32 8.346 -4.677 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.999 -5.954 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.858 -4.420 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.378 -5.580 -0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.660 -4.285 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.935 -5.750 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.214 -4.355 2.991 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.346 -5.122 0.794 1.00 0.00 H new ATOM 505 N ALA A 33 8.747 -2.032 1.617 1.00 0.00 N ATOM 506 CA ALA A 33 8.648 -0.581 1.624 1.00 0.00 C ATOM 507 C ALA A 33 9.552 0.050 0.573 1.00 0.00 C ATOM 508 O ALA A 33 9.230 1.113 0.058 1.00 0.00 O ATOM 509 CB ALA A 33 9.076 -0.062 2.993 1.00 0.00 C ATOM 0 H ALA A 33 9.137 -2.430 2.471 1.00 0.00 H new ATOM 0 HA ALA A 33 7.615 -0.314 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.005 1.026 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.424 -0.479 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.105 -0.361 3.190 1.00 0.00 H new ATOM 515 N ASP A 34 10.709 -0.540 0.310 1.00 0.00 N ATOM 516 CA ASP A 34 11.718 0.062 -0.554 1.00 0.00 C ATOM 517 C ASP A 34 11.272 0.053 -2.009 1.00 0.00 C ATOM 518 O ASP A 34 11.356 1.088 -2.660 1.00 0.00 O ATOM 519 CB ASP A 34 13.065 -0.642 -0.424 1.00 0.00 C ATOM 520 CG ASP A 34 14.148 0.241 -1.038 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.450 1.304 -0.442 1.00 0.00 O ATOM 522 OD2 ASP A 34 14.727 -0.170 -2.062 1.00 0.00 O ATOM 0 H ASP A 34 10.976 -1.449 0.688 1.00 0.00 H new ATOM 0 HA ASP A 34 11.838 1.095 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.288 -0.837 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.035 -1.608 -0.929 1.00 0.00 H new ATOM 527 N ASP A 35 10.754 -1.082 -2.490 1.00 0.00 N ATOM 528 CA ASP A 35 10.181 -1.220 -3.830 1.00 0.00 C ATOM 529 C ASP A 35 9.027 -0.228 -3.968 1.00 0.00 C ATOM 530 O ASP A 35 8.950 0.509 -4.945 1.00 0.00 O ATOM 531 CB ASP A 35 9.717 -2.665 -4.114 1.00 0.00 C ATOM 532 CG ASP A 35 10.377 -3.351 -5.323 1.00 0.00 C ATOM 533 OD1 ASP A 35 10.986 -2.670 -6.182 1.00 0.00 O ATOM 534 OD2 ASP A 35 10.286 -4.604 -5.417 1.00 0.00 O ATOM 0 H ASP A 35 10.721 -1.945 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 35 10.949 -0.998 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.908 -3.269 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.638 -2.657 -4.268 1.00 0.00 H new ATOM 539 N LEU A 36 8.161 -0.156 -2.952 1.00 0.00 N ATOM 540 CA LEU A 36 7.036 0.772 -2.902 1.00 0.00 C ATOM 541 C LEU A 36 7.505 2.228 -3.006 1.00 0.00 C ATOM 542 O LEU A 36 6.935 3.005 -3.774 1.00 0.00 O ATOM 543 CB LEU A 36 6.246 0.533 -1.599 1.00 0.00 C ATOM 544 CG LEU A 36 5.012 -0.369 -1.746 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.283 -1.686 -2.491 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.424 -0.686 -0.363 1.00 0.00 C ATOM 0 H LEU A 36 8.227 -0.754 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 36 6.386 0.589 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.916 0.090 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.928 1.497 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 36 4.304 0.195 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.362 -2.265 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.642 -1.468 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.037 -2.260 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.549 -1.326 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.172 -1.199 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.133 0.242 0.130 1.00 0.00 H new ATOM 558 N ASN A 37 8.539 2.612 -2.254 1.00 0.00 N ATOM 559 CA ASN A 37 9.085 3.963 -2.273 1.00 0.00 C ATOM 560 C ASN A 37 9.755 4.264 -3.618 1.00 0.00 C ATOM 561 O ASN A 37 9.749 5.409 -4.067 1.00 0.00 O ATOM 562 CB ASN A 37 10.136 4.111 -1.165 1.00 0.00 C ATOM 563 CG ASN A 37 9.601 4.446 0.216 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.014 5.486 0.483 1.00 0.00 O ATOM 565 ND2 ASN A 37 9.865 3.562 1.156 1.00 0.00 N ATOM 0 H ASN A 37 9.022 1.985 -1.610 1.00 0.00 H new ATOM 0 HA ASN A 37 8.262 4.661 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.700 3.181 -1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.839 4.890 -1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.580 3.741 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.355 2.699 0.921 1.00 0.00 H new ATOM 572 N GLN A 38 10.336 3.257 -4.276 1.00 0.00 N ATOM 573 CA GLN A 38 10.981 3.371 -5.570 1.00 0.00 C ATOM 574 C GLN A 38 9.954 3.706 -6.654 1.00 0.00 C ATOM 575 O GLN A 38 10.339 4.234 -7.701 1.00 0.00 O ATOM 576 CB GLN A 38 11.704 2.045 -5.867 1.00 0.00 C ATOM 577 CG GLN A 38 13.221 2.140 -5.651 1.00 0.00 C ATOM 578 CD GLN A 38 13.980 2.714 -6.845 1.00 0.00 C ATOM 579 OE1 GLN A 38 13.412 3.067 -7.872 1.00 0.00 O ATOM 580 NE2 GLN A 38 15.288 2.867 -6.762 1.00 0.00 N ATOM 0 H GLN A 38 10.367 2.309 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 38 11.708 4.183 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.298 1.262 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.505 1.749 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.416 2.761 -4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.610 1.146 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.782 2.581 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.805 3.272 -7.543 1.00 0.00 H new ATOM 589 N MET A 39 8.674 3.398 -6.422 1.00 0.00 N ATOM 590 CA MET A 39 7.583 3.633 -7.354 1.00 0.00 C ATOM 591 C MET A 39 6.981 5.025 -7.157 1.00 0.00 C ATOM 592 O MET A 39 6.594 5.653 -8.142 1.00 0.00 O ATOM 593 CB MET A 39 6.493 2.581 -7.143 1.00 0.00 C ATOM 594 CG MET A 39 6.971 1.145 -7.410 1.00 0.00 C ATOM 595 SD MET A 39 6.045 -0.247 -6.688 1.00 0.00 S ATOM 596 CE MET A 39 4.658 0.580 -5.872 1.00 0.00 C ATOM 0 H MET A 39 8.366 2.965 -5.551 1.00 0.00 H new ATOM 0 HA MET A 39 7.980 3.565 -8.367 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.126 2.649 -6.119 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.651 2.804 -7.799 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.991 1.001 -8.490 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.001 1.071 -7.060 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.122 -0.137 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.034 1.392 -5.249 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.981 0.984 -6.625 1.00 0.00 H new ATOM 606 N THR A 40 6.859 5.517 -5.917 1.00 0.00 N ATOM 607 CA THR A 40 6.451 6.902 -5.696 1.00 0.00 C ATOM 608 C THR A 40 7.568 7.859 -6.115 1.00 0.00 C ATOM 609 O THR A 40 7.290 8.967 -6.583 1.00 0.00 O ATOM 610 CB THR A 40 6.061 7.132 -4.229 1.00 0.00 C ATOM 611 OG1 THR A 40 7.102 6.794 -3.335 1.00 0.00 O ATOM 612 CG2 THR A 40 4.842 6.294 -3.853 1.00 0.00 C ATOM 0 H THR A 40 7.035 4.983 -5.066 1.00 0.00 H new ATOM 0 HA THR A 40 5.574 7.102 -6.311 1.00 0.00 H new ATOM 0 HB THR A 40 5.843 8.196 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.297 7.560 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.585 6.474 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.000 6.571 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.069 5.237 -3.994 1.00 0.00 H new ATOM 620 N GLY A 41 8.820 7.420 -5.955 1.00 0.00 N ATOM 621 CA GLY A 41 10.021 8.191 -6.195 1.00 0.00 C ATOM 622 C GLY A 41 10.588 8.801 -4.913 1.00 0.00 C ATOM 623 O GLY A 41 11.475 9.641 -5.029 1.00 0.00 O ATOM 0 H GLY A 41 9.022 6.471 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.775 7.551 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.802 8.987 -6.907 1.00 0.00 H new ATOM 627 N PHE A 42 10.124 8.391 -3.721 1.00 0.00 N ATOM 628 CA PHE A 42 10.468 8.955 -2.410 1.00 0.00 C ATOM 629 C PHE A 42 11.952 9.335 -2.283 1.00 0.00 C ATOM 630 O PHE A 42 12.841 8.484 -2.417 1.00 0.00 O ATOM 631 CB PHE A 42 10.071 7.973 -1.293 1.00 0.00 C ATOM 632 CG PHE A 42 10.799 8.229 0.017 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.719 9.485 0.651 1.00 0.00 C ATOM 634 CD2 PHE A 42 11.707 7.268 0.499 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.621 9.808 1.670 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.540 7.561 1.585 1.00 0.00 C ATOM 637 CZ PHE A 42 12.521 8.844 2.152 1.00 0.00 C ATOM 0 H PHE A 42 9.465 7.617 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 42 9.902 9.881 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.996 8.041 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.278 6.955 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.963 10.196 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.761 6.298 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.625 10.804 2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.195 6.802 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.197 9.090 2.958 1.00 0.00 H new ATOM 647 N THR A 43 12.212 10.591 -1.915 1.00 0.00 N ATOM 648 CA THR A 43 13.543 11.159 -1.787 1.00 0.00 C ATOM 649 C THR A 43 13.638 11.759 -0.398 1.00 0.00 C ATOM 650 O THR A 43 12.745 12.484 0.037 1.00 0.00 O ATOM 651 CB THR A 43 13.717 12.224 -2.882 1.00 0.00 C ATOM 652 OG1 THR A 43 13.356 11.719 -4.147 1.00 0.00 O ATOM 653 CG2 THR A 43 15.141 12.759 -2.962 1.00 0.00 C ATOM 0 H THR A 43 11.473 11.258 -1.692 1.00 0.00 H new ATOM 0 HA THR A 43 14.331 10.416 -1.910 1.00 0.00 H new ATOM 0 HB THR A 43 13.055 13.044 -2.603 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.475 12.417 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.205 13.507 -3.752 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.413 13.213 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.826 11.940 -3.182 1.00 0.00 H new ATOM 661 N LYS A 44 14.708 11.450 0.329 1.00 0.00 N ATOM 662 CA LYS A 44 14.994 12.149 1.564 1.00 0.00 C ATOM 663 C LYS A 44 15.457 13.578 1.273 1.00 0.00 C ATOM 664 O LYS A 44 15.969 13.837 0.184 1.00 0.00 O ATOM 665 CB LYS A 44 16.074 11.390 2.332 1.00 0.00 C ATOM 666 CG LYS A 44 15.493 10.389 3.334 1.00 0.00 C ATOM 667 CD LYS A 44 16.351 10.242 4.595 1.00 0.00 C ATOM 668 CE LYS A 44 16.280 8.815 5.139 1.00 0.00 C ATOM 669 NZ LYS A 44 17.378 7.989 4.603 1.00 0.00 N ATOM 0 H LYS A 44 15.382 10.726 0.082 1.00 0.00 H new ATOM 0 HA LYS A 44 14.088 12.200 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.713 10.861 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.706 12.103 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.490 10.707 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.394 9.416 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.386 10.498 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.009 10.943 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.333 8.834 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.322 8.368 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.307 7.025 4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.311 7.954 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.291 8.405 4.877 1.00 0.00 H new ATOM 683 N PRO A 45 15.403 14.461 2.276 1.00 0.00 N ATOM 684 CA PRO A 45 14.882 14.157 3.597 1.00 0.00 C ATOM 685 C PRO A 45 13.359 14.041 3.548 1.00 0.00 C ATOM 686 O PRO A 45 12.697 14.898 2.956 1.00 0.00 O ATOM 687 CB PRO A 45 15.300 15.308 4.491 1.00 0.00 C ATOM 688 CG PRO A 45 16.012 16.332 3.596 1.00 0.00 C ATOM 689 CD PRO A 45 15.775 15.857 2.167 1.00 0.00 C ATOM 0 HA PRO A 45 15.267 13.208 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.432 15.756 4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.963 14.961 5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.610 17.334 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.077 16.378 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.986 16.436 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.673 15.977 1.560 1.00 0.00 H new ATOM 697 N ALA A 46 12.802 12.970 4.124 1.00 0.00 N ATOM 698 CA ALA A 46 11.358 12.812 4.112 1.00 0.00 C ATOM 699 C ALA A 46 10.729 13.901 4.984 1.00 0.00 C ATOM 700 O ALA A 46 11.351 14.356 5.946 1.00 0.00 O ATOM 701 CB ALA A 46 10.957 11.420 4.621 1.00 0.00 C ATOM 0 H ALA A 46 13.318 12.224 4.590 1.00 0.00 H new ATOM 0 HA ALA A 46 10.996 12.909 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.871 11.325 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.399 10.657 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.316 11.289 5.642 1.00 0.00 H new ATOM 707 N SER A 47 9.487 14.273 4.691 1.00 0.00 N ATOM 708 CA SER A 47 8.692 15.137 5.553 1.00 0.00 C ATOM 709 C SER A 47 8.077 14.364 6.726 1.00 0.00 C ATOM 710 O SER A 47 7.893 14.936 7.798 1.00 0.00 O ATOM 711 CB SER A 47 7.610 15.820 4.709 1.00 0.00 C ATOM 712 OG SER A 47 8.207 16.802 3.887 1.00 0.00 O ATOM 0 H SER A 47 9.002 13.981 3.843 1.00 0.00 H new ATOM 0 HA SER A 47 9.343 15.893 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.092 15.083 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.862 16.278 5.357 1.00 0.00 H new ATOM 0 HG SER A 47 7.517 17.239 3.345 1.00 0.00 H new ATOM 718 N ARG A 48 7.767 13.073 6.558 1.00 0.00 N ATOM 719 CA ARG A 48 7.169 12.212 7.581 1.00 0.00 C ATOM 720 C ARG A 48 7.339 10.753 7.167 1.00 0.00 C ATOM 721 O ARG A 48 7.694 10.498 6.011 1.00 0.00 O ATOM 722 CB ARG A 48 5.690 12.597 7.799 1.00 0.00 C ATOM 723 CG ARG A 48 4.784 12.469 6.556 1.00 0.00 C ATOM 724 CD ARG A 48 3.910 11.209 6.560 1.00 0.00 C ATOM 725 NE ARG A 48 2.952 11.224 7.675 1.00 0.00 N ATOM 726 CZ ARG A 48 1.732 11.775 7.676 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.246 12.393 6.602 1.00 0.00 N ATOM 728 NH2 ARG A 48 0.989 11.702 8.764 1.00 0.00 N ATOM 0 H ARG A 48 7.931 12.585 5.678 1.00 0.00 H new ATOM 0 HA ARG A 48 7.675 12.349 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.282 11.970 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.648 13.627 8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.141 13.347 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.407 12.466 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.370 11.136 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.544 10.325 6.635 1.00 0.00 H new ATOM 0 HE ARG A 48 3.248 10.767 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.806 12.455 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.313 12.805 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.346 11.229 9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.058 12.119 8.775 1.00 0.00 H new ATOM 742 N GLU A 49 7.086 9.804 8.068 1.00 0.00 N ATOM 743 CA GLU A 49 7.359 8.382 7.873 1.00 0.00 C ATOM 744 C GLU A 49 6.161 7.572 8.360 1.00 0.00 C ATOM 745 O GLU A 49 5.829 7.604 9.545 1.00 0.00 O ATOM 746 CB GLU A 49 8.630 7.959 8.630 1.00 0.00 C ATOM 747 CG GLU A 49 9.912 8.496 7.983 1.00 0.00 C ATOM 748 CD GLU A 49 11.101 8.451 8.937 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.115 9.240 9.908 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.014 7.616 8.718 1.00 0.00 O ATOM 0 H GLU A 49 6.674 10.010 8.978 1.00 0.00 H new ATOM 0 HA GLU A 49 7.523 8.194 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.571 8.315 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.678 6.871 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.140 7.910 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.749 9.523 7.656 1.00 0.00 H new ATOM 757 N LEU A 50 5.498 6.870 7.444 1.00 0.00 N ATOM 758 CA LEU A 50 4.459 5.877 7.734 1.00 0.00 C ATOM 759 C LEU A 50 5.104 4.506 7.809 1.00 0.00 C ATOM 760 O LEU A 50 6.217 4.317 7.325 1.00 0.00 O ATOM 761 CB LEU A 50 3.403 5.865 6.607 1.00 0.00 C ATOM 762 CG LEU A 50 2.837 7.244 6.223 1.00 0.00 C ATOM 763 CD1 LEU A 50 1.957 7.120 4.974 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.038 7.881 7.358 1.00 0.00 C ATOM 0 H LEU A 50 5.673 6.978 6.445 1.00 0.00 H new ATOM 0 HA LEU A 50 3.975 6.129 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.847 5.413 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.577 5.223 6.912 1.00 0.00 H new ATOM 0 HG LEU A 50 3.686 7.895 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.561 8.100 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.552 6.734 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.132 6.438 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.660 8.852 7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.201 7.235 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.682 8.012 8.228 1.00 0.00 H new ATOM 776 N SER A 51 4.378 3.519 8.317 1.00 0.00 N ATOM 777 CA SER A 51 4.800 2.127 8.388 1.00 0.00 C ATOM 778 C SER A 51 3.645 1.208 8.020 1.00 0.00 C ATOM 779 O SER A 51 2.496 1.535 8.323 1.00 0.00 O ATOM 780 CB SER A 51 5.272 1.819 9.805 1.00 0.00 C ATOM 781 OG SER A 51 6.397 2.578 10.217 1.00 0.00 O ATOM 0 H SER A 51 3.447 3.671 8.704 1.00 0.00 H new ATOM 0 HA SER A 51 5.616 1.962 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.451 2.001 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.517 0.759 9.873 1.00 0.00 H new ATOM 0 HG SER A 51 7.105 2.507 9.543 1.00 0.00 H new ATOM 787 N VAL A 52 3.939 0.059 7.403 1.00 0.00 N ATOM 788 CA VAL A 52 2.934 -0.942 7.082 1.00 0.00 C ATOM 789 C VAL A 52 3.136 -2.149 8.000 1.00 0.00 C ATOM 790 O VAL A 52 4.278 -2.583 8.179 1.00 0.00 O ATOM 791 CB VAL A 52 3.121 -1.338 5.617 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.151 -2.435 5.181 1.00 0.00 C ATOM 793 CG2 VAL A 52 2.982 -0.171 4.627 1.00 0.00 C ATOM 0 H VAL A 52 4.883 -0.197 7.115 1.00 0.00 H new ATOM 0 HA VAL A 52 1.924 -0.558 7.229 1.00 0.00 H new ATOM 0 HB VAL A 52 4.148 -1.702 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.325 -2.679 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.308 -3.324 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.126 -2.085 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.129 -0.537 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.987 0.265 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.732 0.588 4.851 1.00 0.00 H new ATOM 803 N THR A 53 2.046 -2.738 8.495 1.00 0.00 N ATOM 804 CA THR A 53 2.064 -4.000 9.228 1.00 0.00 C ATOM 805 C THR A 53 1.231 -5.060 8.494 1.00 0.00 C ATOM 806 O THR A 53 0.157 -4.756 7.973 1.00 0.00 O ATOM 807 CB THR A 53 1.601 -3.762 10.673 1.00 0.00 C ATOM 808 OG1 THR A 53 0.397 -3.020 10.765 1.00 0.00 O ATOM 809 CG2 THR A 53 2.666 -3.008 11.470 1.00 0.00 C ATOM 0 H THR A 53 1.111 -2.343 8.395 1.00 0.00 H new ATOM 0 HA THR A 53 3.081 -4.391 9.275 1.00 0.00 H new ATOM 0 HB THR A 53 1.430 -4.757 11.083 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.368 -3.630 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.314 -2.852 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.587 -3.591 11.489 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.857 -2.043 11.000 1.00 0.00 H new ATOM 817 N PHE A 54 1.735 -6.296 8.414 1.00 0.00 N ATOM 818 CA PHE A 54 1.076 -7.415 7.742 1.00 0.00 C ATOM 819 C PHE A 54 -0.002 -8.009 8.643 1.00 0.00 C ATOM 820 O PHE A 54 0.305 -8.360 9.783 1.00 0.00 O ATOM 821 CB PHE A 54 2.110 -8.503 7.415 1.00 0.00 C ATOM 822 CG PHE A 54 3.247 -8.075 6.509 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.978 -7.724 5.173 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.574 -8.059 6.984 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.031 -7.342 4.323 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.627 -7.692 6.127 1.00 0.00 C ATOM 827 CZ PHE A 54 5.354 -7.320 4.798 1.00 0.00 C ATOM 0 H PHE A 54 2.633 -6.549 8.825 1.00 0.00 H new ATOM 0 HA PHE A 54 0.618 -7.050 6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.533 -8.870 8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.593 -9.342 6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.964 -7.748 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.783 -8.329 8.009 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.822 -7.064 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.645 -7.696 6.489 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.159 -7.018 4.144 1.00 0.00 H new ATOM 837 N PHE A 55 -1.230 -8.180 8.137 1.00 0.00 N ATOM 838 CA PHE A 55 -2.315 -8.727 8.942 1.00 0.00 C ATOM 839 C PHE A 55 -2.004 -10.105 9.557 1.00 0.00 C ATOM 840 O PHE A 55 -1.318 -10.914 8.914 1.00 0.00 O ATOM 841 CB PHE A 55 -3.637 -8.783 8.150 1.00 0.00 C ATOM 842 CG PHE A 55 -4.808 -8.107 8.838 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.733 -6.758 9.222 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.932 -8.866 9.210 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.783 -6.164 9.945 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.957 -8.290 9.977 1.00 0.00 C ATOM 847 CZ PHE A 55 -6.893 -6.933 10.335 1.00 0.00 C ATOM 0 H PHE A 55 -1.490 -7.947 7.179 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.426 -8.033 9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.484 -8.316 7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.892 -9.827 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.864 -6.173 8.960 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.007 -9.899 8.904 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.736 -5.116 10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.797 -8.891 10.293 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.692 -6.484 10.906 1.00 0.00 H new ATOM 857 N PRO A 56 -2.648 -10.448 10.689 1.00 0.00 N ATOM 858 CA PRO A 56 -3.328 -9.541 11.608 1.00 0.00 C ATOM 859 C PRO A 56 -2.317 -8.815 12.505 1.00 0.00 C ATOM 860 O PRO A 56 -1.947 -9.295 13.578 1.00 0.00 O ATOM 861 CB PRO A 56 -4.299 -10.424 12.400 1.00 0.00 C ATOM 862 CG PRO A 56 -3.584 -11.773 12.445 1.00 0.00 C ATOM 863 CD PRO A 56 -2.828 -11.821 11.124 1.00 0.00 C ATOM 0 HA PRO A 56 -3.867 -8.747 11.091 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.478 -10.029 13.400 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.269 -10.498 11.908 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.907 -11.840 13.297 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.290 -12.599 12.533 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.865 -12.316 11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.385 -12.391 10.381 1.00 0.00 H new ATOM 871 N ASP A 57 -1.914 -7.619 12.090 1.00 0.00 N ATOM 872 CA ASP A 57 -1.178 -6.621 12.843 1.00 0.00 C ATOM 873 C ASP A 57 -1.506 -5.295 12.180 1.00 0.00 C ATOM 874 O ASP A 57 -1.391 -5.148 10.961 1.00 0.00 O ATOM 875 CB ASP A 57 0.329 -6.853 12.799 1.00 0.00 C ATOM 876 CG ASP A 57 1.105 -5.718 13.467 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.553 -4.919 14.256 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.329 -5.650 13.241 1.00 0.00 O ATOM 0 H ASP A 57 -2.112 -7.301 11.141 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.461 -6.657 13.895 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.565 -7.794 13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.650 -6.950 11.762 1.00 0.00 H new ATOM 883 N LEU A 58 -1.988 -4.352 12.974 1.00 0.00 N ATOM 884 CA LEU A 58 -2.537 -3.084 12.550 1.00 0.00 C ATOM 885 C LEU A 58 -2.094 -2.019 13.557 1.00 0.00 C ATOM 886 O LEU A 58 -2.892 -1.225 14.065 1.00 0.00 O ATOM 887 CB LEU A 58 -4.053 -3.230 12.329 1.00 0.00 C ATOM 888 CG LEU A 58 -4.860 -3.902 13.465 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.327 -3.517 13.307 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.783 -5.445 13.475 1.00 0.00 C ATOM 0 H LEU A 58 -2.005 -4.462 13.988 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.159 -2.753 11.583 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.469 -2.237 12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.210 -3.803 11.415 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.421 -3.552 14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.913 -3.982 14.100 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.428 -2.433 13.369 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.691 -3.860 12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.376 -5.834 14.303 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.173 -5.835 12.535 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.745 -5.757 13.595 1.00 0.00 H new ATOM 902 N ASN A 59 -0.794 -2.032 13.869 1.00 0.00 N ATOM 903 CA ASN A 59 -0.114 -0.987 14.630 1.00 0.00 C ATOM 904 C ASN A 59 0.412 0.099 13.706 1.00 0.00 C ATOM 905 O ASN A 59 0.488 1.250 14.127 1.00 0.00 O ATOM 906 CB ASN A 59 1.080 -1.548 15.416 1.00 0.00 C ATOM 907 CG ASN A 59 0.622 -2.272 16.663 1.00 0.00 C ATOM 908 OD1 ASN A 59 0.842 -1.831 17.789 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.048 -3.386 16.467 1.00 0.00 N ATOM 0 H ASN A 59 -0.172 -2.791 13.590 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.851 -0.577 15.321 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.647 -2.231 14.783 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.752 -0.735 15.690 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.404 -3.914 17.264 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.212 -3.722 15.518 1.00 0.00 H new ATOM 916 N GLY A 60 0.793 -0.249 12.476 1.00 0.00 N ATOM 917 CA GLY A 60 1.338 0.708 11.509 1.00 0.00 C ATOM 918 C GLY A 60 0.340 1.831 11.199 1.00 0.00 C ATOM 919 O GLY A 60 -0.840 1.732 11.544 1.00 0.00 O ATOM 0 H GLY A 60 0.733 -1.203 12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.259 1.138 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.597 0.187 10.587 1.00 0.00 H new ATOM 923 N ASP A 61 0.769 2.903 10.535 1.00 0.00 N ATOM 924 CA ASP A 61 -0.165 3.887 9.967 1.00 0.00 C ATOM 925 C ASP A 61 -0.925 3.292 8.785 1.00 0.00 C ATOM 926 O ASP A 61 -2.024 3.732 8.456 1.00 0.00 O ATOM 927 CB ASP A 61 0.558 5.155 9.485 1.00 0.00 C ATOM 928 CG ASP A 61 -0.154 6.392 10.014 1.00 0.00 C ATOM 929 OD1 ASP A 61 0.207 6.809 11.139 1.00 0.00 O ATOM 930 OD2 ASP A 61 -1.072 6.932 9.348 1.00 0.00 O ATOM 0 H ASP A 61 1.753 3.116 10.375 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.857 4.153 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.593 5.146 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.583 5.178 8.396 1.00 0.00 H new ATOM 935 N VAL A 62 -0.350 2.275 8.147 1.00 0.00 N ATOM 936 CA VAL A 62 -0.916 1.559 7.021 1.00 0.00 C ATOM 937 C VAL A 62 -0.888 0.074 7.394 1.00 0.00 C ATOM 938 O VAL A 62 -0.152 -0.355 8.285 1.00 0.00 O ATOM 939 CB VAL A 62 -0.115 1.934 5.748 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.615 1.234 4.468 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.090 3.461 5.517 1.00 0.00 C ATOM 0 H VAL A 62 0.565 1.916 8.419 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.951 1.820 6.798 1.00 0.00 H new ATOM 0 HB VAL A 62 0.896 1.575 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.005 1.547 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.539 0.154 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.655 1.506 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.481 3.683 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.110 3.828 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.377 3.951 6.372 1.00 0.00 H new ATOM 951 N VAL A 63 -1.706 -0.728 6.725 1.00 0.00 N ATOM 952 CA VAL A 63 -1.814 -2.163 6.964 1.00 0.00 C ATOM 953 C VAL A 63 -1.590 -2.874 5.621 1.00 0.00 C ATOM 954 O VAL A 63 -1.673 -2.232 4.576 1.00 0.00 O ATOM 955 CB VAL A 63 -3.189 -2.415 7.615 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.383 -3.866 8.046 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.411 -1.533 8.867 1.00 0.00 C ATOM 0 H VAL A 63 -2.325 -0.394 5.987 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.066 -2.561 7.650 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.910 -2.162 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.368 -3.983 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.303 -4.518 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.617 -4.135 8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.392 -1.745 9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.641 -1.751 9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.357 -0.481 8.585 1.00 0.00 H new ATOM 967 N ALA A 64 -1.295 -4.175 5.609 1.00 0.00 N ATOM 968 CA ALA A 64 -1.152 -4.969 4.393 1.00 0.00 C ATOM 969 C ALA A 64 -2.066 -6.186 4.453 1.00 0.00 C ATOM 970 O ALA A 64 -2.250 -6.762 5.527 1.00 0.00 O ATOM 971 CB ALA A 64 0.303 -5.388 4.192 1.00 0.00 C ATOM 0 H ALA A 64 -1.146 -4.714 6.462 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.445 -4.359 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.389 -5.979 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.929 -4.500 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.631 -5.985 5.043 1.00 0.00 H new ATOM 977 N ILE A 65 -2.588 -6.580 3.292 1.00 0.00 N ATOM 978 CA ILE A 65 -3.518 -7.677 3.079 1.00 0.00 C ATOM 979 C ILE A 65 -2.900 -8.585 2.001 1.00 0.00 C ATOM 980 O ILE A 65 -2.247 -8.093 1.076 1.00 0.00 O ATOM 981 CB ILE A 65 -4.917 -7.123 2.722 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.511 -6.286 3.884 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.908 -8.226 2.311 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.891 -7.072 5.150 1.00 0.00 C ATOM 0 H ILE A 65 -2.353 -6.106 2.420 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.674 -8.275 3.977 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.769 -6.475 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.788 -5.518 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.400 -5.771 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.872 -7.778 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.525 -8.752 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.029 -8.931 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.295 -6.387 5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.642 -7.822 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.006 -7.564 5.552 1.00 0.00 H new ATOM 996 N ASP A 66 -3.037 -9.906 2.126 1.00 0.00 N ATOM 997 CA ASP A 66 -2.479 -10.862 1.163 1.00 0.00 C ATOM 998 C ASP A 66 -3.192 -10.701 -0.184 1.00 0.00 C ATOM 999 O ASP A 66 -4.424 -10.624 -0.256 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.606 -12.298 1.701 1.00 0.00 C ATOM 1001 CG ASP A 66 -1.958 -13.398 0.841 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -1.899 -13.303 -0.405 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -1.609 -14.461 1.406 1.00 0.00 O ATOM 0 H ASP A 66 -3.538 -10.346 2.898 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.418 -10.660 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.162 -12.333 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.665 -12.530 1.816 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.398 -10.710 -1.254 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.756 -10.751 -2.667 1.00 0.00 C ATOM 1010 C TYR A 67 -3.948 -11.646 -3.020 1.00 0.00 C ATOM 1011 O TYR A 67 -4.619 -11.388 -4.013 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.510 -11.244 -3.412 1.00 0.00 C ATOM 1013 CG TYR A 67 -1.695 -11.541 -4.887 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -1.518 -10.507 -5.817 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.067 -12.828 -5.330 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -1.670 -10.750 -7.187 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.225 -13.080 -6.710 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.033 -12.033 -7.645 1.00 0.00 C ATOM 1019 OH TYR A 67 -2.252 -12.209 -8.979 1.00 0.00 O ATOM 0 H TYR A 67 -1.385 -10.686 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.076 -9.750 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.727 -10.493 -3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.151 -12.149 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.262 -9.515 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.231 -13.620 -4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.509 -9.952 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.492 -14.069 -7.052 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.494 -13.143 -9.150 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.250 -12.700 -2.261 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.383 -13.588 -2.540 1.00 0.00 C ATOM 1031 C ARG A 68 -6.725 -12.868 -2.556 1.00 0.00 C ATOM 1032 O ARG A 68 -7.671 -13.340 -3.187 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.416 -14.669 -1.470 1.00 0.00 C ATOM 1034 CG ARG A 68 -4.099 -15.430 -1.429 1.00 0.00 C ATOM 1035 CD ARG A 68 -4.264 -16.946 -1.296 1.00 0.00 C ATOM 1036 NE ARG A 68 -3.120 -17.670 -1.884 1.00 0.00 N ATOM 1037 CZ ARG A 68 -2.286 -18.506 -1.255 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -2.301 -18.629 0.066 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -1.425 -19.241 -1.952 1.00 0.00 N ATOM 0 H ARG A 68 -3.716 -12.964 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.236 -14.003 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.611 -14.218 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.234 -15.360 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.537 -15.214 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.505 -15.064 -0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.361 -17.211 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.185 -17.257 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.946 -17.516 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.957 -18.080 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.657 -19.272 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.399 -19.168 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.790 -19.877 -1.470 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.802 -11.757 -1.834 1.00 0.00 N ATOM 1054 CA HIS A 69 -7.956 -10.849 -1.859 1.00 0.00 C ATOM 1055 C HIS A 69 -7.926 -9.819 -2.999 1.00 0.00 C ATOM 1056 O HIS A 69 -8.833 -8.993 -3.057 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.192 -10.195 -0.480 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.954 -11.053 0.500 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.655 -12.213 0.219 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.134 -10.776 1.830 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.185 -12.661 1.366 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.824 -11.861 2.378 1.00 0.00 N ATOM 0 H HIS A 69 -6.059 -11.452 -1.205 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.818 -11.477 -2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.226 -9.939 -0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.735 -9.261 -0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.806 -9.890 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.810 -13.537 1.460 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.017 -12.015 3.368 1.00 0.00 H new ATOM 1070 N TYR A 70 -6.955 -9.837 -3.918 1.00 0.00 N ATOM 1071 CA TYR A 70 -6.899 -8.907 -5.043 1.00 0.00 C ATOM 1072 C TYR A 70 -7.984 -9.235 -6.074 1.00 0.00 C ATOM 1073 O TYR A 70 -7.724 -9.827 -7.125 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.501 -8.890 -5.675 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.312 -7.986 -6.887 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.153 -6.883 -7.153 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.265 -8.283 -7.775 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -5.894 -6.051 -8.256 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.003 -7.466 -8.885 1.00 0.00 C ATOM 1080 CZ TYR A 70 -4.806 -6.329 -9.116 1.00 0.00 C ATOM 1081 OH TYR A 70 -4.551 -5.521 -10.179 1.00 0.00 O ATOM 0 H TYR A 70 -6.182 -10.503 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.096 -7.903 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.785 -8.589 -4.910 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.246 -9.909 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -6.995 -6.679 -6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.652 -9.155 -7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.527 -5.197 -8.447 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.193 -7.706 -9.558 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.768 -5.856 -10.664 1.00 0.00 H new ATOM 1091 N SER A 71 -9.209 -8.818 -5.784 1.00 0.00 N ATOM 1092 CA SER A 71 -10.324 -8.850 -6.703 1.00 0.00 C ATOM 1093 C SER A 71 -10.416 -7.552 -7.504 1.00 0.00 C ATOM 1094 O SER A 71 -9.986 -6.481 -7.070 1.00 0.00 O ATOM 1095 CB SER A 71 -11.605 -9.120 -5.903 1.00 0.00 C ATOM 1096 OG SER A 71 -12.054 -10.435 -6.171 1.00 0.00 O ATOM 0 H SER A 71 -9.455 -8.437 -4.871 1.00 0.00 H new ATOM 0 HA SER A 71 -10.182 -9.649 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.414 -8.999 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.375 -8.398 -6.173 1.00 0.00 H new ATOM 0 HG SER A 71 -12.871 -10.612 -5.660 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.054 -7.642 -8.669 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.253 -6.558 -9.622 1.00 0.00 C ATOM 1104 C ALA A 72 -12.132 -5.424 -9.091 1.00 0.00 C ATOM 1105 O ALA A 72 -12.178 -4.374 -9.724 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.850 -7.149 -10.903 1.00 0.00 C ATOM 0 H ALA A 72 -11.466 -8.519 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.282 -6.102 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.008 -6.354 -11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.165 -7.889 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.803 -7.625 -10.674 1.00 0.00 H new ATOM 1112 N SER A 73 -12.792 -5.588 -7.945 1.00 0.00 N ATOM 1113 CA SER A 73 -13.326 -4.482 -7.159 1.00 0.00 C ATOM 1114 C SER A 73 -12.250 -3.413 -6.946 1.00 0.00 C ATOM 1115 O SER A 73 -12.451 -2.229 -7.200 1.00 0.00 O ATOM 1116 CB SER A 73 -13.763 -5.037 -5.796 1.00 0.00 C ATOM 1117 OG SER A 73 -15.163 -5.112 -5.662 1.00 0.00 O ATOM 0 H SER A 73 -12.972 -6.504 -7.534 1.00 0.00 H new ATOM 0 HA SER A 73 -14.168 -4.029 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.336 -6.030 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.360 -4.405 -5.005 1.00 0.00 H new ATOM 0 HG SER A 73 -15.388 -5.473 -4.779 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.088 -3.836 -6.452 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.054 -2.989 -5.882 1.00 0.00 C ATOM 1125 C PHE A 74 -9.186 -2.351 -6.978 1.00 0.00 C ATOM 1126 O PHE A 74 -8.045 -1.954 -6.727 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.279 -3.851 -4.872 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.165 -4.613 -3.875 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.012 -3.947 -2.963 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.161 -6.019 -3.873 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -11.828 -4.665 -2.064 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.014 -6.736 -3.014 1.00 0.00 C ATOM 1133 CZ PHE A 74 -11.859 -6.063 -2.122 1.00 0.00 C ATOM 0 H PHE A 74 -10.835 -4.824 -6.440 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.474 -2.133 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.668 -4.569 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.595 -3.210 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.036 -2.867 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.497 -6.553 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.426 -4.139 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.017 -7.816 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.530 -6.619 -1.484 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.686 -2.267 -8.220 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.931 -1.951 -9.419 1.00 0.00 C ATOM 1145 C LYS A 75 -8.330 -0.550 -9.326 1.00 0.00 C ATOM 1146 O LYS A 75 -7.216 -0.365 -9.810 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.844 -2.217 -10.643 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.930 -1.139 -11.722 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.722 -1.081 -12.662 1.00 0.00 C ATOM 1150 CE LYS A 75 -8.710 0.317 -13.277 1.00 0.00 C ATOM 1151 NZ LYS A 75 -7.774 0.460 -14.416 1.00 0.00 N ATOM 0 H LYS A 75 -10.675 -2.427 -8.413 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.059 -2.594 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.506 -3.138 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.853 -2.401 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.828 -1.308 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.045 -0.169 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.798 -1.272 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.798 -1.844 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.717 0.565 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.444 1.041 -12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.819 1.432 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.806 0.254 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.039 -0.206 -15.169 1.00 0.00 H new ATOM 1165 N LYS A 76 -9.008 0.412 -8.688 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.501 1.779 -8.531 1.00 0.00 C ATOM 1167 C LYS A 76 -8.084 2.104 -7.087 1.00 0.00 C ATOM 1168 O LYS A 76 -7.744 3.250 -6.797 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.467 2.798 -9.155 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.503 2.677 -10.688 1.00 0.00 C ATOM 1171 CD LYS A 76 -9.943 3.978 -11.362 1.00 0.00 C ATOM 1172 CE LYS A 76 -9.785 3.906 -12.888 1.00 0.00 C ATOM 1173 NZ LYS A 76 -9.854 5.239 -13.522 1.00 0.00 N ATOM 0 H LYS A 76 -9.925 0.263 -8.266 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.571 1.855 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.469 2.644 -8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.163 3.807 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.514 2.398 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.185 1.875 -10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.984 4.183 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.352 4.808 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.830 3.440 -13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.566 3.268 -13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.742 5.140 -14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.775 5.675 -13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.093 5.841 -13.148 1.00 0.00 H new ATOM 1187 N GLY A 77 -8.030 1.112 -6.195 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.554 1.256 -4.823 1.00 0.00 C ATOM 1189 C GLY A 77 -8.446 0.481 -3.860 1.00 0.00 C ATOM 1190 O GLY A 77 -9.513 0.002 -4.256 1.00 0.00 O ATOM 0 H GLY A 77 -8.325 0.161 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.529 0.894 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.541 2.310 -4.546 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.023 0.335 -2.601 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.828 -0.234 -1.530 1.00 0.00 C ATOM 1196 C ALA A 78 -8.325 0.237 -0.169 1.00 0.00 C ATOM 1197 O ALA A 78 -7.222 0.774 -0.031 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.800 -1.761 -1.596 1.00 0.00 C ATOM 0 H ALA A 78 -7.091 0.617 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.855 0.107 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.407 -2.171 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.200 -2.091 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.773 -2.111 -1.492 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.151 0.011 0.840 1.00 0.00 N ATOM 1205 CA LYS A 79 -8.953 0.354 2.244 1.00 0.00 C ATOM 1206 C LYS A 79 -9.652 -0.721 3.090 1.00 0.00 C ATOM 1207 O LYS A 79 -10.311 -1.606 2.540 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.473 1.787 2.528 1.00 0.00 C ATOM 1209 CG LYS A 79 -10.689 2.204 1.670 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.568 3.284 2.308 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.049 3.108 1.940 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.925 3.721 2.959 1.00 0.00 N ATOM 0 H LYS A 79 -10.047 -0.453 0.690 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.895 0.366 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.744 1.860 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.663 2.496 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.332 2.565 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.300 1.323 1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.457 3.249 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.228 4.267 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.242 3.563 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.281 2.047 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.920 3.588 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.755 3.269 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.718 4.738 3.029 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.460 -0.681 4.405 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.119 -1.523 5.401 1.00 0.00 C ATOM 1228 C LEU A 80 -11.032 -0.587 6.213 1.00 0.00 C ATOM 1229 O LEU A 80 -11.363 0.498 5.732 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.035 -2.287 6.205 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.409 -3.732 6.591 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -8.134 -4.514 6.929 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.381 -3.870 7.770 1.00 0.00 C ATOM 0 H LEU A 80 -8.804 -0.024 4.829 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.751 -2.309 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.117 -2.310 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.818 -1.728 7.115 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.929 -4.130 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.396 -5.536 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.475 -4.528 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.624 -4.034 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.577 -4.926 7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.941 -3.419 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.316 -3.364 7.531 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.440 -0.988 7.422 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.478 -0.372 8.253 1.00 0.00 C ATOM 1247 C LEU A 81 -12.429 1.138 8.213 1.00 0.00 C ATOM 1248 O LEU A 81 -13.399 1.796 7.837 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.369 -0.865 9.701 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.680 -0.644 10.485 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.125 -1.959 11.115 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.522 0.427 11.569 1.00 0.00 C ATOM 0 H LEU A 81 -11.027 -1.804 7.874 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.439 -0.676 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.118 -1.926 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.554 -0.342 10.202 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.436 -0.293 9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.051 -1.802 11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.291 -2.700 10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.352 -2.317 11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.467 0.552 12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.750 0.120 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.236 1.372 11.108 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.274 1.674 8.581 1.00 0.00 N ATOM 1265 CA HIS A 82 -10.954 3.085 8.402 1.00 0.00 C ATOM 1266 C HIS A 82 -9.500 3.308 7.987 1.00 0.00 C ATOM 1267 O HIS A 82 -9.094 4.454 7.785 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.326 3.868 9.666 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.447 3.578 10.854 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.611 4.479 11.469 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.321 2.379 11.498 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -8.971 3.837 12.457 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.374 2.551 12.518 1.00 0.00 N ATOM 0 H HIS A 82 -10.524 1.137 9.017 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.553 3.466 7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.280 4.935 9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.359 3.642 9.929 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.852 1.468 11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.238 4.285 13.111 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.053 1.842 13.177 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.698 2.250 7.846 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.269 2.354 7.582 1.00 0.00 C ATOM 1283 C LYS A 83 -6.914 1.825 6.200 1.00 0.00 C ATOM 1284 O LYS A 83 -7.567 0.885 5.735 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.511 1.577 8.649 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.650 2.229 10.025 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.560 1.712 10.964 1.00 0.00 C ATOM 1288 CE LYS A 83 -6.027 0.432 11.669 1.00 0.00 C ATOM 1289 NZ LYS A 83 -5.259 0.203 12.910 1.00 0.00 N ATOM 0 H LYS A 83 -9.031 1.288 7.913 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.986 3.406 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.886 0.554 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.457 1.519 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.577 3.313 9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.633 2.011 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.649 1.513 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.316 2.474 11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.089 0.508 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.908 -0.420 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.772 -0.468 13.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.325 -0.189 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.139 1.104 13.415 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.840 2.319 5.569 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.478 1.921 4.220 1.00 0.00 C ATOM 1305 C PRO A 84 -4.844 0.525 4.225 1.00 0.00 C ATOM 1306 O PRO A 84 -4.383 0.049 5.270 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.524 3.018 3.755 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.841 3.486 5.036 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.875 3.255 6.125 1.00 0.00 C ATOM 0 HA PRO A 84 -6.328 1.832 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.801 2.638 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.060 3.833 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.929 2.921 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.558 4.537 4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.411 2.849 7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.358 4.190 6.410 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.810 -0.125 3.058 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.265 -1.474 2.885 1.00 0.00 C ATOM 1319 C ILE A 85 -3.270 -1.450 1.724 1.00 0.00 C ATOM 1320 O ILE A 85 -3.316 -0.544 0.882 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.383 -2.535 2.702 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.037 -2.459 1.292 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.422 -2.375 3.800 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.577 -3.593 0.364 1.00 0.00 C ATOM 0 H ILE A 85 -5.167 0.279 2.192 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.738 -1.776 3.790 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.930 -3.524 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.121 -2.498 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.795 -1.500 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.206 -3.121 3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.948 -2.512 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.857 -1.377 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.065 -3.490 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.496 -3.541 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.843 -4.554 0.804 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.415 -2.462 1.635 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.538 -2.702 0.498 1.00 0.00 C ATOM 1338 C VAL A 86 -1.471 -4.209 0.255 1.00 0.00 C ATOM 1339 O VAL A 86 -1.604 -4.988 1.199 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.150 -2.081 0.753 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.229 -0.560 0.871 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.592 -2.640 1.966 1.00 0.00 C ATOM 0 H VAL A 86 -2.311 -3.158 2.374 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.928 -2.224 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 86 0.430 -2.364 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.768 -0.157 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.628 -0.144 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.883 -0.293 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.557 -2.142 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.002 -2.466 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.748 -3.711 1.836 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.268 -4.639 -0.987 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.181 -6.056 -1.320 1.00 0.00 C ATOM 1354 C TRP A 87 0.209 -6.583 -0.988 1.00 0.00 C ATOM 1355 O TRP A 87 1.190 -5.963 -1.404 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.476 -6.249 -2.806 1.00 0.00 C ATOM 1357 CG TRP A 87 -2.831 -5.770 -3.210 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.093 -4.706 -3.997 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.123 -6.254 -2.745 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.460 -4.541 -4.111 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.142 -5.442 -3.323 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.529 -7.265 -1.850 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.500 -5.622 -3.027 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -5.885 -7.440 -1.532 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -6.867 -6.621 -2.112 1.00 0.00 C ATOM 0 H TRP A 87 -1.160 -4.017 -1.788 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.914 -6.611 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.723 -5.720 -3.390 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.385 -7.307 -3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.349 -4.080 -4.466 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -4.907 -3.841 -4.703 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.788 -7.912 -1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.251 -5.003 -3.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.176 -8.212 -0.835 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -7.906 -6.760 -1.854 1.00 0.00 H new ATOM 1376 N HIS A 88 0.320 -7.724 -0.308 1.00 0.00 N ATOM 1377 CA HIS A 88 1.602 -8.385 -0.086 1.00 0.00 C ATOM 1378 C HIS A 88 1.589 -9.798 -0.661 1.00 0.00 C ATOM 1379 O HIS A 88 0.541 -10.439 -0.770 1.00 0.00 O ATOM 1380 CB HIS A 88 1.996 -8.339 1.399 1.00 0.00 C ATOM 1381 CG HIS A 88 1.275 -9.292 2.323 1.00 0.00 C ATOM 1382 ND1 HIS A 88 1.713 -10.542 2.684 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.167 -9.023 3.084 1.00 0.00 C ATOM 1384 CE1 HIS A 88 0.898 -11.010 3.635 1.00 0.00 C ATOM 1385 NE2 HIS A 88 -0.069 -10.121 3.925 1.00 0.00 N ATOM 0 H HIS A 88 -0.475 -8.214 0.103 1.00 0.00 H new ATOM 0 HA HIS A 88 2.378 -7.840 -0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.065 -8.537 1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.833 -7.324 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.424 -8.120 3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.002 -11.975 4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.816 -10.224 4.612 1.00 0.00 H new ATOM 1393 N ILE A 89 2.780 -10.281 -1.007 1.00 0.00 N ATOM 1394 CA ILE A 89 3.088 -11.639 -1.423 1.00 0.00 C ATOM 1395 C ILE A 89 4.324 -11.981 -0.615 1.00 0.00 C ATOM 1396 O ILE A 89 5.350 -11.352 -0.836 1.00 0.00 O ATOM 1397 CB ILE A 89 3.374 -11.689 -2.947 1.00 0.00 C ATOM 1398 CG1 ILE A 89 2.041 -11.604 -3.715 1.00 0.00 C ATOM 1399 CG2 ILE A 89 4.167 -12.951 -3.353 1.00 0.00 C ATOM 1400 CD1 ILE A 89 2.191 -11.546 -5.237 1.00 0.00 C ATOM 0 H ILE A 89 3.611 -9.689 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 89 2.271 -12.341 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 89 4.001 -10.836 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.430 -12.468 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.499 -10.719 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.342 -12.940 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.123 -12.964 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.596 -13.841 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.205 -11.488 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.773 -10.666 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.702 -12.443 -5.587 1.00 0.00 H new ATOM 1412 N ASN A 90 4.256 -12.951 0.296 1.00 0.00 N ATOM 1413 CA ASN A 90 5.413 -13.441 1.047 1.00 0.00 C ATOM 1414 C ASN A 90 6.255 -12.305 1.662 1.00 0.00 C ATOM 1415 O ASN A 90 7.485 -12.298 1.597 1.00 0.00 O ATOM 1416 CB ASN A 90 6.174 -14.510 0.232 1.00 0.00 C ATOM 1417 CG ASN A 90 6.951 -14.102 -1.017 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.769 -14.700 -2.075 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.922 -13.220 -0.912 1.00 0.00 N ATOM 0 H ASN A 90 3.386 -13.425 0.537 1.00 0.00 H new ATOM 0 HA ASN A 90 5.069 -13.967 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.878 -14.994 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.449 -15.266 -0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.527 -13.030 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.069 -12.726 -0.032 1.00 0.00 H new ATOM 1426 N GLN A 91 5.576 -11.327 2.273 1.00 0.00 N ATOM 1427 CA GLN A 91 6.148 -10.103 2.844 1.00 0.00 C ATOM 1428 C GLN A 91 6.926 -9.238 1.831 1.00 0.00 C ATOM 1429 O GLN A 91 7.700 -8.383 2.240 1.00 0.00 O ATOM 1430 CB GLN A 91 6.981 -10.430 4.104 1.00 0.00 C ATOM 1431 CG GLN A 91 6.161 -11.168 5.171 1.00 0.00 C ATOM 1432 CD GLN A 91 6.979 -11.529 6.405 1.00 0.00 C ATOM 1433 OE1 GLN A 91 6.760 -11.020 7.498 1.00 0.00 O ATOM 1434 NE2 GLN A 91 7.904 -12.464 6.269 1.00 0.00 N ATOM 0 H GLN A 91 4.563 -11.370 2.388 1.00 0.00 H new ATOM 0 HA GLN A 91 5.306 -9.478 3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.838 -11.041 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.374 -9.505 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.318 -10.544 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.746 -12.078 4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.077 -12.881 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.444 -12.769 7.079 1.00 0.00 H new ATOM 1443 N ALA A 92 6.735 -9.423 0.526 1.00 0.00 N ATOM 1444 CA ALA A 92 7.362 -8.703 -0.570 1.00 0.00 C ATOM 1445 C ALA A 92 6.272 -8.143 -1.486 1.00 0.00 C ATOM 1446 O ALA A 92 5.073 -8.360 -1.273 1.00 0.00 O ATOM 1447 CB ALA A 92 8.274 -9.656 -1.364 1.00 0.00 C ATOM 0 H ALA A 92 6.088 -10.135 0.187 1.00 0.00 H new ATOM 0 HA ALA A 92 7.965 -7.885 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.742 -9.112 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.046 -10.054 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.681 -10.478 -1.765 1.00 0.00 H new ATOM 1453 N THR A 93 6.711 -7.442 -2.527 1.00 0.00 N ATOM 1454 CA THR A 93 5.897 -7.053 -3.661 1.00 0.00 C ATOM 1455 C THR A 93 6.556 -7.668 -4.904 1.00 0.00 C ATOM 1456 O THR A 93 7.777 -7.863 -4.945 1.00 0.00 O ATOM 1457 CB THR A 93 5.732 -5.515 -3.660 1.00 0.00 C ATOM 1458 OG1 THR A 93 4.770 -5.096 -4.614 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.037 -4.726 -3.850 1.00 0.00 C ATOM 0 H THR A 93 7.676 -7.121 -2.601 1.00 0.00 H new ATOM 0 HA THR A 93 4.874 -7.429 -3.631 1.00 0.00 H new ATOM 0 HB THR A 93 5.382 -5.281 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.687 -4.120 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.822 -3.658 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.729 -4.968 -3.043 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.487 -4.992 -4.806 1.00 0.00 H new ATOM 1467 N THR A 94 5.758 -8.000 -5.911 1.00 0.00 N ATOM 1468 CA THR A 94 6.178 -8.473 -7.217 1.00 0.00 C ATOM 1469 C THR A 94 5.619 -7.493 -8.252 1.00 0.00 C ATOM 1470 O THR A 94 4.786 -6.638 -7.923 1.00 0.00 O ATOM 1471 CB THR A 94 5.657 -9.909 -7.442 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.244 -9.924 -7.515 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.095 -10.896 -6.353 1.00 0.00 C ATOM 0 H THR A 94 4.743 -7.942 -5.830 1.00 0.00 H new ATOM 0 HA THR A 94 7.264 -8.512 -7.303 1.00 0.00 H new ATOM 0 HB THR A 94 6.097 -10.232 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.934 -10.842 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.693 -11.885 -6.575 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.183 -10.945 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.720 -10.561 -5.386 1.00 0.00 H new ATOM 1481 N LYS A 95 5.974 -7.647 -9.532 1.00 0.00 N ATOM 1482 CA LYS A 95 5.326 -6.868 -10.585 1.00 0.00 C ATOM 1483 C LYS A 95 3.802 -7.049 -10.578 1.00 0.00 C ATOM 1484 O LYS A 95 3.075 -6.114 -10.909 1.00 0.00 O ATOM 1485 CB LYS A 95 5.954 -7.139 -11.957 1.00 0.00 C ATOM 1486 CG LYS A 95 6.929 -6.016 -12.349 1.00 0.00 C ATOM 1487 CD LYS A 95 8.169 -5.892 -11.446 1.00 0.00 C ATOM 1488 CE LYS A 95 9.109 -4.769 -11.899 1.00 0.00 C ATOM 1489 NZ LYS A 95 9.866 -5.129 -13.116 1.00 0.00 N ATOM 0 H LYS A 95 6.694 -8.293 -9.857 1.00 0.00 H new ATOM 0 HA LYS A 95 5.504 -5.815 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.481 -8.093 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.170 -7.224 -12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.259 -6.182 -13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.392 -5.067 -12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.851 -5.705 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.711 -6.838 -11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.528 -3.866 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.807 -4.536 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.488 -4.340 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.441 -5.975 -12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.202 -5.326 -13.892 1.00 0.00 H new ATOM 1503 N THR A 96 3.298 -8.199 -10.130 1.00 0.00 N ATOM 1504 CA THR A 96 1.871 -8.464 -10.060 1.00 0.00 C ATOM 1505 C THR A 96 1.186 -7.646 -8.961 1.00 0.00 C ATOM 1506 O THR A 96 0.049 -7.222 -9.171 1.00 0.00 O ATOM 1507 CB THR A 96 1.644 -9.976 -9.901 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.508 -10.682 -10.776 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.221 -10.345 -10.301 1.00 0.00 C ATOM 0 H THR A 96 3.876 -8.974 -9.805 1.00 0.00 H new ATOM 0 HA THR A 96 1.405 -8.142 -10.991 1.00 0.00 H new ATOM 0 HB THR A 96 1.832 -10.234 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.363 -11.646 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.077 -11.419 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.486 -9.812 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.052 -10.069 -11.342 1.00 0.00 H new ATOM 1517 N THR A 97 1.842 -7.376 -7.827 1.00 0.00 N ATOM 1518 CA THR A 97 1.282 -6.485 -6.812 1.00 0.00 C ATOM 1519 C THR A 97 1.648 -5.034 -7.100 1.00 0.00 C ATOM 1520 O THR A 97 1.043 -4.168 -6.489 1.00 0.00 O ATOM 1521 CB THR A 97 1.739 -6.880 -5.395 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.114 -7.163 -5.374 1.00 0.00 O ATOM 1523 CG2 THR A 97 1.008 -8.120 -4.895 1.00 0.00 C ATOM 0 H THR A 97 2.757 -7.761 -7.592 1.00 0.00 H new ATOM 0 HA THR A 97 0.198 -6.587 -6.855 1.00 0.00 H new ATOM 0 HB THR A 97 1.512 -6.031 -4.750 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.600 -6.397 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.357 -8.368 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.064 -7.924 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.208 -8.955 -5.566 1.00 0.00 H new ATOM 1531 N PHE A 98 2.572 -4.735 -8.016 1.00 0.00 N ATOM 1532 CA PHE A 98 3.031 -3.388 -8.358 1.00 0.00 C ATOM 1533 C PHE A 98 1.918 -2.622 -9.084 1.00 0.00 C ATOM 1534 O PHE A 98 1.627 -1.468 -8.767 1.00 0.00 O ATOM 1535 CB PHE A 98 4.317 -3.448 -9.189 1.00 0.00 C ATOM 1536 CG PHE A 98 4.407 -2.432 -10.307 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.557 -1.070 -10.004 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.216 -2.837 -11.642 1.00 0.00 C ATOM 1539 CE1 PHE A 98 4.511 -0.113 -11.026 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.174 -1.875 -12.666 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.321 -0.512 -12.357 1.00 0.00 C ATOM 0 H PHE A 98 3.041 -5.457 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 98 3.266 -2.848 -7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.168 -3.309 -8.523 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.408 -4.446 -9.618 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.708 -0.759 -8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.102 -3.885 -11.879 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.622 0.935 -10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.029 -2.183 -13.691 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.288 0.227 -13.144 1.00 0.00 H new ATOM 1551 N LYS A 99 1.285 -3.254 -10.071 1.00 0.00 N ATOM 1552 CA LYS A 99 0.222 -2.616 -10.836 1.00 0.00 C ATOM 1553 C LYS A 99 -0.973 -2.210 -9.968 1.00 0.00 C ATOM 1554 O LYS A 99 -1.490 -1.123 -10.207 1.00 0.00 O ATOM 1555 CB LYS A 99 -0.188 -3.475 -12.028 1.00 0.00 C ATOM 1556 CG LYS A 99 0.754 -3.227 -13.231 1.00 0.00 C ATOM 1557 CD LYS A 99 0.036 -3.024 -14.575 1.00 0.00 C ATOM 1558 CE LYS A 99 -0.679 -4.268 -15.117 1.00 0.00 C ATOM 1559 NZ LYS A 99 0.258 -5.309 -15.590 1.00 0.00 N ATOM 0 H LYS A 99 1.493 -4.210 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 99 0.627 -1.683 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.161 -4.529 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.215 -3.246 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.363 -2.347 -13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.436 -4.073 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.694 -2.222 -14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.765 -2.691 -15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.314 -4.686 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.334 -3.976 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.280 -6.125 -15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.847 -4.924 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.867 -5.611 -14.803 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.493 -3.016 -9.025 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.460 -2.496 -8.063 1.00 0.00 C ATOM 1575 C PRO A 100 -1.808 -1.525 -7.075 1.00 0.00 C ATOM 1576 O PRO A 100 -2.428 -0.535 -6.721 1.00 0.00 O ATOM 1577 CB PRO A 100 -3.054 -3.725 -7.384 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.973 -4.789 -7.500 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.272 -4.442 -8.817 1.00 0.00 C ATOM 0 HA PRO A 100 -3.240 -1.906 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.300 -3.522 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.975 -4.041 -7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.283 -4.754 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.398 -5.792 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.207 -4.668 -8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.681 -5.025 -9.642 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.553 -1.743 -6.687 1.00 0.00 N ATOM 1588 CA ASN A 101 0.158 -0.953 -5.672 1.00 0.00 C ATOM 1589 C ASN A 101 0.127 0.534 -5.927 1.00 0.00 C ATOM 1590 O ASN A 101 0.043 1.281 -4.963 1.00 0.00 O ATOM 1591 CB ASN A 101 1.646 -1.290 -5.705 1.00 0.00 C ATOM 1592 CG ASN A 101 2.187 -1.757 -4.395 1.00 0.00 C ATOM 1593 OD1 ASN A 101 2.551 -0.940 -3.573 1.00 0.00 O ATOM 1594 ND2 ASN A 101 2.274 -3.056 -4.202 1.00 0.00 N ATOM 0 H ASN A 101 0.017 -2.493 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.343 -1.195 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.817 -2.063 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.202 -0.408 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.661 -3.417 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.954 -3.701 -4.924 1.00 0.00 H new ATOM 1601 N THR A 102 0.323 1.011 -7.163 1.00 0.00 N ATOM 1602 CA THR A 102 0.541 2.449 -7.283 1.00 0.00 C ATOM 1603 C THR A 102 -0.777 3.165 -6.933 1.00 0.00 C ATOM 1604 O THR A 102 -0.738 4.250 -6.369 1.00 0.00 O ATOM 1605 CB THR A 102 1.270 2.897 -8.570 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.427 3.525 -9.509 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.966 1.753 -9.325 1.00 0.00 C ATOM 0 H THR A 102 0.335 0.470 -8.028 1.00 0.00 H new ATOM 0 HA THR A 102 1.284 2.770 -6.554 1.00 0.00 H new ATOM 0 HB THR A 102 2.007 3.600 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.950 3.784 -10.296 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.454 2.149 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.711 1.291 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.227 1.007 -9.618 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.935 2.512 -7.091 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.224 2.952 -6.564 1.00 0.00 C ATOM 1617 C TRP A 103 -3.285 2.973 -5.036 1.00 0.00 C ATOM 1618 O TRP A 103 -4.219 3.543 -4.478 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.318 2.001 -7.052 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.484 1.904 -8.526 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -4.010 0.928 -9.324 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.188 2.824 -9.393 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.449 1.134 -10.616 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.219 2.271 -10.705 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.814 4.068 -9.193 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -5.913 2.890 -11.749 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.506 4.704 -10.232 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.579 4.100 -11.495 1.00 0.00 C ATOM 0 H TRP A 103 -1.998 1.634 -7.607 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.367 3.972 -6.922 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.106 1.005 -6.663 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.267 2.317 -6.619 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.383 0.110 -9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.231 0.523 -11.403 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.760 4.540 -8.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.936 2.446 -12.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.982 5.658 -10.060 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.153 4.570 -12.280 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.345 2.360 -4.327 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.435 2.153 -2.899 1.00 0.00 C ATOM 1641 C CYS A 104 -1.580 3.249 -2.267 1.00 0.00 C ATOM 1642 O CYS A 104 -1.840 3.657 -1.141 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.946 0.729 -2.601 1.00 0.00 C ATOM 1644 SG CYS A 104 -2.993 -0.517 -3.409 1.00 0.00 S ATOM 0 H CYS A 104 -1.489 1.990 -4.740 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.444 2.225 -2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.917 0.618 -2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -1.945 0.562 -1.524 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.781 -0.496 -4.691 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.619 3.787 -3.031 1.00 0.00 N ATOM 1651 CA LEU A 105 0.113 5.001 -2.796 1.00 0.00 C ATOM 1652 C LEU A 105 -0.712 6.203 -3.228 1.00 0.00 C ATOM 1653 O LEU A 105 -0.802 7.164 -2.482 1.00 0.00 O ATOM 1654 CB LEU A 105 1.377 4.883 -3.651 1.00 0.00 C ATOM 1655 CG LEU A 105 2.342 3.767 -3.207 1.00 0.00 C ATOM 1656 CD1 LEU A 105 2.179 3.135 -1.825 1.00 0.00 C ATOM 1657 CD2 LEU A 105 2.836 2.766 -4.237 1.00 0.00 C ATOM 0 H LEU A 105 -0.323 3.333 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 105 0.350 5.139 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.086 4.705 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.907 5.835 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 105 3.165 4.470 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.942 2.370 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.287 3.903 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.191 2.681 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.505 2.051 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.986 2.236 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.372 3.292 -5.027 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.353 6.166 -4.400 1.00 0.00 N ATOM 1670 CA ARG A 106 -2.112 7.300 -4.936 1.00 0.00 C ATOM 1671 C ARG A 106 -3.287 7.719 -4.056 1.00 0.00 C ATOM 1672 O ARG A 106 -3.808 8.816 -4.225 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.589 6.986 -6.364 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.435 7.149 -7.356 1.00 0.00 C ATOM 1675 CD ARG A 106 -1.804 6.795 -8.799 1.00 0.00 C ATOM 1676 NE ARG A 106 -0.942 7.494 -9.775 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.315 8.449 -10.648 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.567 8.901 -10.677 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -0.434 8.952 -11.505 1.00 0.00 N ATOM 0 H ARG A 106 -1.360 5.346 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.431 8.151 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.976 5.968 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.408 7.651 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.084 8.180 -7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.604 6.519 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.716 5.718 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.846 7.057 -8.982 1.00 0.00 H new ATOM 0 HE ARG A 106 0.041 7.224 -9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.261 8.523 -10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.833 9.625 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.529 8.615 -11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.720 9.675 -12.165 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.704 6.863 -3.126 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.732 7.177 -2.150 1.00 0.00 C ATOM 1695 C CYS A 107 -4.141 7.821 -0.879 1.00 0.00 C ATOM 1696 O CYS A 107 -4.884 8.408 -0.098 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.461 5.862 -1.855 1.00 0.00 C ATOM 1698 SG CYS A 107 -7.078 6.185 -1.118 1.00 0.00 S ATOM 0 H CYS A 107 -3.329 5.919 -3.032 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.428 7.920 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.582 5.292 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.862 5.251 -1.179 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.679 5.057 -0.878 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.826 7.702 -0.657 1.00 0.00 N ATOM 1705 CA LEU A 108 -2.067 8.284 0.459 1.00 0.00 C ATOM 1706 C LEU A 108 -1.491 9.660 0.076 1.00 0.00 C ATOM 1707 O LEU A 108 -1.063 10.411 0.946 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.892 7.341 0.827 1.00 0.00 C ATOM 1709 CG LEU A 108 -1.300 5.935 1.312 1.00 0.00 C ATOM 1710 CD1 LEU A 108 -0.072 5.022 1.413 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.991 5.935 2.677 1.00 0.00 C ATOM 0 H LEU A 108 -2.228 7.167 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.743 8.405 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.248 7.233 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.296 7.817 1.606 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.009 5.570 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.380 4.035 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.398 4.935 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.640 5.447 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.249 4.913 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.319 6.355 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.898 6.537 2.626 1.00 0.00 H new ATOM 1723 N TRP A 109 -1.445 9.979 -1.219 1.00 0.00 N ATOM 1724 CA TRP A 109 -1.067 11.257 -1.807 1.00 0.00 C ATOM 1725 C TRP A 109 -2.064 12.345 -1.362 1.00 0.00 C ATOM 1726 O TRP A 109 -3.216 12.040 -1.040 1.00 0.00 O ATOM 1727 CB TRP A 109 -1.067 11.029 -3.326 1.00 0.00 C ATOM 1728 CG TRP A 109 0.026 10.154 -3.888 1.00 0.00 C ATOM 1729 CD1 TRP A 109 0.926 9.423 -3.189 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.362 9.915 -5.286 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.749 8.732 -4.054 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.425 8.975 -5.366 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.144 10.390 -6.503 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.950 8.533 -6.590 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 0.407 10.014 -7.739 1.00 0.00 C ATOM 1736 CH2 TRP A 109 1.436 9.062 -7.784 1.00 0.00 C ATOM 0 H TRP A 109 -1.691 9.295 -1.935 1.00 0.00 H new ATOM 0 HA TRP A 109 -0.085 11.604 -1.486 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -2.026 10.592 -3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -1.007 12.002 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 109 0.990 9.386 -2.112 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.505 8.116 -3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -0.985 11.067 -6.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.739 7.796 -6.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 0.039 10.457 -8.653 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.832 8.737 -8.735 1.00 0.00 H new ATOM 1747 N SER A 110 -1.645 13.611 -1.366 1.00 0.00 N ATOM 1748 CA SER A 110 -2.369 14.725 -0.745 1.00 0.00 C ATOM 1749 C SER A 110 -2.609 15.875 -1.732 1.00 0.00 C ATOM 1750 O SER A 110 -2.424 17.054 -1.413 1.00 0.00 O ATOM 1751 CB SER A 110 -1.623 15.184 0.512 1.00 0.00 C ATOM 1752 OG SER A 110 -1.655 14.171 1.509 1.00 0.00 O ATOM 0 H SER A 110 -0.773 13.899 -1.811 1.00 0.00 H new ATOM 0 HA SER A 110 -3.359 14.377 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.589 15.423 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.077 16.097 0.898 1.00 0.00 H new ATOM 0 HG SER A 110 -1.173 14.479 2.304 1.00 0.00 H new ATOM 1758 N THR A 111 -3.100 15.535 -2.927 1.00 0.00 N ATOM 1759 CA THR A 111 -3.367 16.466 -4.024 1.00 0.00 C ATOM 1760 C THR A 111 -2.112 17.270 -4.391 1.00 0.00 C ATOM 1761 O THR A 111 -1.001 16.837 -4.079 1.00 0.00 O ATOM 1762 CB THR A 111 -4.654 17.268 -3.751 1.00 0.00 C ATOM 1763 OG1 THR A 111 -4.527 18.213 -2.708 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.819 16.347 -3.389 1.00 0.00 C ATOM 0 H THR A 111 -3.330 14.570 -3.164 1.00 0.00 H new ATOM 0 HA THR A 111 -3.587 15.921 -4.942 1.00 0.00 H new ATOM 0 HB THR A 111 -4.845 17.799 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.700 18.043 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.711 16.945 -3.203 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.009 15.659 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.569 15.779 -2.493 1.00 0.00 H new ATOM 1772 N LYS A 112 -2.239 18.376 -5.124 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.099 19.202 -5.499 1.00 0.00 C ATOM 1774 C LYS A 112 -1.547 20.665 -5.516 1.00 0.00 C ATOM 1775 O LYS A 112 -2.322 21.040 -6.398 1.00 0.00 O ATOM 1776 CB LYS A 112 -0.515 18.730 -6.841 1.00 0.00 C ATOM 1777 CG LYS A 112 0.959 18.317 -6.740 1.00 0.00 C ATOM 1778 CD LYS A 112 1.890 19.525 -6.764 1.00 0.00 C ATOM 1779 CE LYS A 112 3.340 19.061 -6.591 1.00 0.00 C ATOM 1780 NZ LYS A 112 4.319 20.144 -6.820 1.00 0.00 N ATOM 0 H LYS A 112 -3.134 18.721 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.292 19.107 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.099 17.886 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.613 19.530 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.117 17.755 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.207 17.651 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.780 20.063 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.622 20.219 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.472 18.665 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.540 18.244 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.282 19.774 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.215 20.507 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.149 20.914 -6.142 1.00 0.00 H new ATOM 1794 N PRO A 113 -1.160 21.478 -4.527 1.00 0.00 N ATOM 1795 CA PRO A 113 -1.354 22.917 -4.574 1.00 0.00 C ATOM 1796 C PRO A 113 -0.365 23.549 -5.560 1.00 0.00 C ATOM 1797 O PRO A 113 0.588 22.897 -5.993 1.00 0.00 O ATOM 1798 CB PRO A 113 -1.125 23.377 -3.136 1.00 0.00 C ATOM 1799 CG PRO A 113 -0.119 22.374 -2.579 1.00 0.00 C ATOM 1800 CD PRO A 113 -0.416 21.087 -3.346 1.00 0.00 C ATOM 0 HA PRO A 113 -2.343 23.212 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -0.735 24.394 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.052 23.371 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.907 22.706 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -0.245 22.237 -1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.507 20.576 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.994 20.395 -2.734 1.00 0.00 H new ATOM 1808 N VAL A 114 -0.571 24.830 -5.877 1.00 0.00 N ATOM 1809 CA VAL A 114 0.079 25.586 -6.950 1.00 0.00 C ATOM 1810 C VAL A 114 0.113 24.774 -8.262 1.00 0.00 C ATOM 1811 O VAL A 114 1.091 24.776 -9.014 1.00 0.00 O ATOM 1812 CB VAL A 114 1.391 26.233 -6.433 1.00 0.00 C ATOM 1813 CG1 VAL A 114 2.528 25.253 -6.115 1.00 0.00 C ATOM 1814 CG2 VAL A 114 1.900 27.335 -7.369 1.00 0.00 C ATOM 0 H VAL A 114 -1.238 25.402 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.509 26.454 -7.249 1.00 0.00 H new ATOM 0 HB VAL A 114 1.096 26.669 -5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.398 25.807 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.203 24.557 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.792 24.698 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 114 2.820 27.758 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.096 26.913 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 114 1.146 28.118 -7.453 1.00 0.00 H new ATOM 1824 N ASP A 115 -0.971 24.036 -8.522 1.00 0.00 N ATOM 1825 CA ASP A 115 -1.071 23.081 -9.629 1.00 0.00 C ATOM 1826 C ASP A 115 -2.517 23.017 -10.125 1.00 0.00 C ATOM 1827 O ASP A 115 -3.140 21.961 -10.270 1.00 0.00 O ATOM 1828 CB ASP A 115 -0.558 21.720 -9.164 1.00 0.00 C ATOM 1829 CG ASP A 115 -0.017 20.902 -10.322 1.00 0.00 C ATOM 1830 OD1 ASP A 115 1.178 21.095 -10.639 1.00 0.00 O ATOM 1831 OD2 ASP A 115 -0.735 20.020 -10.848 1.00 0.00 O ATOM 0 H ASP A 115 -1.819 24.087 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.454 23.402 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 115 0.226 21.861 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.365 21.173 -8.677 1.00 0.00 H new ATOM 1836 N THR A 116 -3.125 24.189 -10.256 1.00 0.00 N ATOM 1837 CA THR A 116 -4.510 24.416 -10.625 1.00 0.00 C ATOM 1838 C THR A 116 -4.558 25.794 -11.266 1.00 0.00 C ATOM 1839 O THR A 116 -5.324 25.974 -12.236 1.00 0.00 O ATOM 1840 CB THR A 116 -5.361 24.252 -9.358 1.00 0.00 C ATOM 1841 OG1 THR A 116 -5.470 22.865 -9.116 1.00 0.00 O ATOM 1842 CG2 THR A 116 -6.759 24.867 -9.396 1.00 0.00 C ATOM 0 H THR A 116 -2.626 25.064 -10.095 1.00 0.00 H new ATOM 0 HA THR A 116 -4.915 23.709 -11.349 1.00 0.00 H new ATOM 0 HB THR A 116 -4.851 24.803 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.728 22.397 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 116 -7.262 24.686 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 116 -6.680 25.941 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.334 24.413 -10.203 1.00 0.00 H new TER 1850 THR A 116