USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot -29:sc= 0.166 USER MOD Set 1.2: A 65 ASN : amide:sc= -0.332 X(o=-0.17,f=0.16) USER MOD Set 2.1: A 54 HIS :FLIP no HD1:sc= -0.318 F(o=-0.76,f=0.17) USER MOD Set 2.2: A 59 THR OG1 : rot -175:sc= 0.493 USER MOD Set 3.1: A 26 ASN : amide:sc= -0.724 K(o=-2,f=-3.7!) USER MOD Set 3.2: A 128 GLN : amide:sc= -1.26 X(o=-2,f=-1.7) USER MOD Single : A 24 MET CE :methyl -148:sc= -0.158 (180deg=-0.682) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.37 (180deg=0.924) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.412 USER MOD Single : A 36 MET CE :methyl 160:sc= -0.0225 (180deg=-0.521) USER MOD Single : A 38 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.86) USER MOD Single : A 39 THR OG1 : rot 68:sc= 1.19 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 72 THR OG1 : rot 42:sc= 0.0314 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 153:sc= -0.279 (180deg=-1.03) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.894) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 91 GLN :FLIP amide:sc= -1.64 F(o=-2.7!,f=-1.6) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -146:sc= -0.148 (180deg=-0.727) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 109 ASN :FLIP amide:sc= -0.76 F(o=-1.7!,f=-0.76) USER MOD Single : A 112 THR OG1 : rot 163:sc= 1.67 USER MOD Single : A 117 ASN : amide:sc= -0.1 K(o=-0.1,f=-4.3!) USER MOD Single : A 119 ASN : amide:sc= -0.328 K(o=-0.33,f=-3.1!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 140 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.4!) USER MOD Single : A 146 SER OG : rot 180:sc= 0.00252 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 151 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 152 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.0011) USER MOD Single : A 153 HIS : no HE2:sc= -0.0843 X(o=-0.084,f=-0.11) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 24 -20.908 -13.718 -1.445 1.00 0.00 N ATOM 2 CA MET A 24 -19.646 -14.488 -1.580 1.00 0.00 C ATOM 3 C MET A 24 -18.634 -13.746 -2.451 1.00 0.00 C ATOM 4 O MET A 24 -17.431 -13.792 -2.189 1.00 0.00 O ATOM 5 CB MET A 24 -19.916 -15.885 -2.162 1.00 0.00 C ATOM 6 CG MET A 24 -20.576 -15.876 -3.534 1.00 0.00 C ATOM 7 SD MET A 24 -20.896 -17.531 -4.175 1.00 0.00 S ATOM 8 CE MET A 24 -19.235 -18.197 -4.261 1.00 0.00 C ATOM 0 HA MET A 24 -19.223 -14.599 -0.582 1.00 0.00 H new ATOM 0 HB2 MET A 24 -18.972 -16.426 -2.229 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.551 -16.437 -1.470 1.00 0.00 H new ATOM 0 HG2 MET A 24 -21.516 -15.328 -3.475 1.00 0.00 H new ATOM 0 HG3 MET A 24 -19.937 -15.339 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 24 -19.166 -18.896 -5.095 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.524 -17.384 -4.409 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.003 -18.717 -3.332 1.00 0.00 H new ATOM 20 N GLU A 25 -19.117 -13.062 -3.484 1.00 0.00 N ATOM 21 CA GLU A 25 -18.242 -12.310 -4.368 1.00 0.00 C ATOM 22 C GLU A 25 -18.053 -10.897 -3.843 1.00 0.00 C ATOM 23 O GLU A 25 -19.002 -10.269 -3.374 1.00 0.00 O ATOM 24 CB GLU A 25 -18.812 -12.266 -5.789 1.00 0.00 C ATOM 25 CG GLU A 25 -18.957 -13.634 -6.437 1.00 0.00 C ATOM 26 CD GLU A 25 -17.655 -14.406 -6.474 1.00 0.00 C ATOM 27 OE1 GLU A 25 -16.720 -13.974 -7.179 1.00 0.00 O ATOM 28 OE2 GLU A 25 -17.563 -15.454 -5.805 1.00 0.00 O ATOM 0 H GLU A 25 -20.107 -13.015 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.275 -12.812 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.788 -11.781 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.165 -11.647 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.702 -14.213 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.331 -13.512 -7.454 1.00 0.00 H new ATOM 35 N ASN A 26 -16.828 -10.406 -3.919 1.00 0.00 N ATOM 36 CA ASN A 26 -16.511 -9.065 -3.446 1.00 0.00 C ATOM 37 C ASN A 26 -15.845 -8.252 -4.550 1.00 0.00 C ATOM 38 O ASN A 26 -14.977 -7.421 -4.290 1.00 0.00 O ATOM 39 CB ASN A 26 -15.611 -9.129 -2.203 1.00 0.00 C ATOM 40 CG ASN A 26 -14.328 -9.913 -2.430 1.00 0.00 C ATOM 41 OD1 ASN A 26 -13.298 -9.353 -2.804 1.00 0.00 O ATOM 42 ND2 ASN A 26 -14.379 -11.211 -2.186 1.00 0.00 N ATOM 0 H ASN A 26 -16.033 -10.916 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 26 -17.442 -8.570 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.359 -8.115 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.167 -9.584 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -13.545 -11.786 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.252 -11.638 -1.877 1.00 0.00 H new ATOM 49 N TYR A 27 -16.283 -8.480 -5.784 1.00 0.00 N ATOM 50 CA TYR A 27 -15.685 -7.835 -6.948 1.00 0.00 C ATOM 51 C TYR A 27 -15.898 -6.325 -6.913 1.00 0.00 C ATOM 52 O TYR A 27 -15.020 -5.554 -7.305 1.00 0.00 O ATOM 53 CB TYR A 27 -16.260 -8.415 -8.246 1.00 0.00 C ATOM 54 CG TYR A 27 -15.609 -7.854 -9.493 1.00 0.00 C ATOM 55 CD1 TYR A 27 -16.292 -6.975 -10.328 1.00 0.00 C ATOM 56 CD2 TYR A 27 -14.303 -8.188 -9.822 1.00 0.00 C ATOM 57 CE1 TYR A 27 -15.689 -6.449 -11.454 1.00 0.00 C ATOM 58 CE2 TYR A 27 -13.694 -7.669 -10.948 1.00 0.00 C ATOM 59 CZ TYR A 27 -14.391 -6.798 -11.759 1.00 0.00 C ATOM 60 OH TYR A 27 -13.784 -6.270 -12.878 1.00 0.00 O ATOM 0 H TYR A 27 -17.054 -9.110 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.613 -8.032 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -16.138 -9.498 -8.237 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -17.331 -8.215 -8.282 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -17.309 -6.700 -10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.753 -8.866 -9.186 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.232 -5.768 -12.092 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.678 -7.944 -11.192 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.870 -6.616 -12.949 1.00 0.00 H new ATOM 70 N LEU A 28 -17.056 -5.906 -6.426 1.00 0.00 N ATOM 71 CA LEU A 28 -17.370 -4.487 -6.340 1.00 0.00 C ATOM 72 C LEU A 28 -16.512 -3.828 -5.268 1.00 0.00 C ATOM 73 O LEU A 28 -16.045 -2.701 -5.433 1.00 0.00 O ATOM 74 CB LEU A 28 -18.856 -4.273 -6.034 1.00 0.00 C ATOM 75 CG LEU A 28 -19.828 -4.719 -7.131 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.266 -4.584 -6.654 1.00 0.00 C ATOM 77 CD2 LEU A 28 -19.617 -3.903 -8.400 1.00 0.00 C ATOM 0 H LEU A 28 -17.792 -6.525 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.152 -4.028 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.101 -4.809 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.019 -3.213 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 28 -19.631 -5.767 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -21.943 -4.905 -7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.417 -5.207 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.470 -3.543 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.317 -4.235 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -19.787 -2.848 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -18.596 -4.041 -8.756 1.00 0.00 H new ATOM 89 N ARG A 29 -16.307 -4.544 -4.170 1.00 0.00 N ATOM 90 CA ARG A 29 -15.445 -4.070 -3.101 1.00 0.00 C ATOM 91 C ARG A 29 -13.993 -4.033 -3.567 1.00 0.00 C ATOM 92 O ARG A 29 -13.233 -3.157 -3.169 1.00 0.00 O ATOM 93 CB ARG A 29 -15.597 -4.951 -1.857 1.00 0.00 C ATOM 94 CG ARG A 29 -14.747 -4.497 -0.682 1.00 0.00 C ATOM 95 CD ARG A 29 -15.130 -5.213 0.607 1.00 0.00 C ATOM 96 NE ARG A 29 -14.819 -6.643 0.577 1.00 0.00 N ATOM 97 CZ ARG A 29 -15.590 -7.588 1.123 1.00 0.00 C ATOM 98 NH1 ARG A 29 -16.773 -7.271 1.635 1.00 0.00 N ATOM 99 NH2 ARG A 29 -15.187 -8.854 1.134 1.00 0.00 N ATOM 0 H ARG A 29 -16.728 -5.457 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.745 -3.056 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.644 -4.961 -1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.330 -5.976 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.696 -4.682 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.859 -3.421 -0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.607 -4.750 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.197 -5.082 0.787 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.961 -6.936 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.096 -6.304 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.359 -7.995 2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.287 -9.106 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.777 -9.574 1.551 1.00 0.00 H new ATOM 113 N LYS A 30 -13.618 -4.980 -4.422 1.00 0.00 N ATOM 114 CA LYS A 30 -12.282 -4.992 -5.017 1.00 0.00 C ATOM 115 C LYS A 30 -12.027 -3.695 -5.769 1.00 0.00 C ATOM 116 O LYS A 30 -10.996 -3.051 -5.578 1.00 0.00 O ATOM 117 CB LYS A 30 -12.113 -6.173 -5.974 1.00 0.00 C ATOM 118 CG LYS A 30 -11.971 -7.523 -5.290 1.00 0.00 C ATOM 119 CD LYS A 30 -11.928 -8.646 -6.312 1.00 0.00 C ATOM 120 CE LYS A 30 -11.874 -10.012 -5.651 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.542 -10.293 -5.060 1.00 0.00 N ATOM 0 H LYS A 30 -14.219 -5.749 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.560 -5.093 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.972 -6.208 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.233 -5.999 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.061 -7.537 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.806 -7.679 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.808 -8.587 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.057 -8.519 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.635 -10.068 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.113 -10.780 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.463 -11.308 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.799 -10.021 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.430 -9.747 -4.182 1.00 0.00 H new ATOM 135 N ALA A 31 -12.977 -3.308 -6.616 1.00 0.00 N ATOM 136 CA ALA A 31 -12.867 -2.080 -7.393 1.00 0.00 C ATOM 137 C ALA A 31 -12.774 -0.848 -6.497 1.00 0.00 C ATOM 138 O ALA A 31 -12.210 0.171 -6.893 1.00 0.00 O ATOM 139 CB ALA A 31 -14.049 -1.960 -8.337 1.00 0.00 C ATOM 0 H ALA A 31 -13.836 -3.832 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.945 -2.131 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.961 -1.040 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.062 -2.814 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.974 -1.939 -7.761 1.00 0.00 H new ATOM 145 N ALA A 32 -13.323 -0.946 -5.293 1.00 0.00 N ATOM 146 CA ALA A 32 -13.241 0.147 -4.332 1.00 0.00 C ATOM 147 C ALA A 32 -11.785 0.430 -3.987 1.00 0.00 C ATOM 148 O ALA A 32 -11.349 1.582 -3.963 1.00 0.00 O ATOM 149 CB ALA A 32 -14.037 -0.181 -3.078 1.00 0.00 C ATOM 0 H ALA A 32 -13.828 -1.767 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.673 1.041 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.963 0.647 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.082 -0.341 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.637 -1.085 -2.619 1.00 0.00 H new ATOM 155 N LEU A 33 -11.026 -0.635 -3.752 1.00 0.00 N ATOM 156 CA LEU A 33 -9.600 -0.500 -3.494 1.00 0.00 C ATOM 157 C LEU A 33 -8.884 -0.038 -4.752 1.00 0.00 C ATOM 158 O LEU A 33 -7.884 0.675 -4.676 1.00 0.00 O ATOM 159 CB LEU A 33 -8.978 -1.812 -2.999 1.00 0.00 C ATOM 160 CG LEU A 33 -9.385 -2.266 -1.593 1.00 0.00 C ATOM 161 CD1 LEU A 33 -9.566 -1.078 -0.660 1.00 0.00 C ATOM 162 CD2 LEU A 33 -10.640 -3.116 -1.642 1.00 0.00 C ATOM 0 H LEU A 33 -11.373 -1.594 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.481 0.244 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.239 -2.602 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.893 -1.708 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.577 -2.879 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.855 -1.433 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.629 -0.526 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.344 -0.423 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.909 -3.426 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.456 -2.536 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.458 -3.998 -2.256 1.00 0.00 H new ATOM 174 N THR A 34 -9.401 -0.444 -5.908 1.00 0.00 N ATOM 175 CA THR A 34 -8.875 0.018 -7.181 1.00 0.00 C ATOM 176 C THR A 34 -8.955 1.540 -7.254 1.00 0.00 C ATOM 177 O THR A 34 -7.986 2.207 -7.613 1.00 0.00 O ATOM 178 CB THR A 34 -9.648 -0.595 -8.369 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.612 -2.029 -8.296 1.00 0.00 O ATOM 180 CG2 THR A 34 -9.060 -0.139 -9.695 1.00 0.00 C ATOM 0 H THR A 34 -10.184 -1.093 -5.986 1.00 0.00 H new ATOM 0 HA THR A 34 -7.835 -0.303 -7.248 1.00 0.00 H new ATOM 0 HB THR A 34 -10.681 -0.253 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.964 -2.408 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.623 -0.585 -10.515 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.117 0.947 -9.764 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.018 -0.452 -9.758 1.00 0.00 H new ATOM 188 N ASP A 35 -10.105 2.081 -6.867 1.00 0.00 N ATOM 189 CA ASP A 35 -10.318 3.523 -6.884 1.00 0.00 C ATOM 190 C ASP A 35 -9.432 4.212 -5.857 1.00 0.00 C ATOM 191 O ASP A 35 -8.902 5.294 -6.109 1.00 0.00 O ATOM 192 CB ASP A 35 -11.785 3.870 -6.616 1.00 0.00 C ATOM 193 CG ASP A 35 -12.687 3.553 -7.792 1.00 0.00 C ATOM 194 OD1 ASP A 35 -13.664 2.797 -7.617 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.429 4.060 -8.899 1.00 0.00 O ATOM 0 H ASP A 35 -10.905 1.541 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.053 3.881 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.130 3.320 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.865 4.931 -6.378 1.00 0.00 H new ATOM 200 N MET A 36 -9.266 3.582 -4.702 1.00 0.00 N ATOM 201 CA MET A 36 -8.409 4.142 -3.664 1.00 0.00 C ATOM 202 C MET A 36 -6.951 4.141 -4.119 1.00 0.00 C ATOM 203 O MET A 36 -6.219 5.103 -3.892 1.00 0.00 O ATOM 204 CB MET A 36 -8.553 3.381 -2.344 1.00 0.00 C ATOM 205 CG MET A 36 -7.708 3.976 -1.230 1.00 0.00 C ATOM 206 SD MET A 36 -8.129 5.700 -0.892 1.00 0.00 S ATOM 207 CE MET A 36 -6.789 6.170 0.201 1.00 0.00 C ATOM 0 H MET A 36 -9.707 2.694 -4.461 1.00 0.00 H new ATOM 0 HA MET A 36 -8.727 5.170 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.600 3.382 -2.041 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.266 2.340 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 36 -7.842 3.388 -0.322 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.654 3.909 -1.501 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.695 7.256 0.216 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.998 5.810 1.208 1.00 0.00 H new ATOM 0 HE3 MET A 36 -5.858 5.730 -0.155 1.00 0.00 H new ATOM 217 N LEU A 37 -6.542 3.062 -4.778 1.00 0.00 N ATOM 218 CA LEU A 37 -5.198 2.965 -5.333 1.00 0.00 C ATOM 219 C LEU A 37 -4.993 4.036 -6.402 1.00 0.00 C ATOM 220 O LEU A 37 -3.941 4.670 -6.470 1.00 0.00 O ATOM 221 CB LEU A 37 -4.975 1.575 -5.932 1.00 0.00 C ATOM 222 CG LEU A 37 -3.583 1.323 -6.524 1.00 0.00 C ATOM 223 CD1 LEU A 37 -2.558 1.086 -5.422 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.622 0.144 -7.483 1.00 0.00 C ATOM 0 H LEU A 37 -7.124 2.241 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.475 3.123 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.160 0.831 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.717 1.413 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.281 2.211 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.579 0.910 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.510 1.962 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.851 0.216 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.627 -0.023 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.948 -0.749 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.319 0.357 -8.293 1.00 0.00 H new ATOM 236 N GLN A 38 -6.019 4.247 -7.220 1.00 0.00 N ATOM 237 CA GLN A 38 -5.985 5.276 -8.252 1.00 0.00 C ATOM 238 C GLN A 38 -5.960 6.669 -7.635 1.00 0.00 C ATOM 239 O GLN A 38 -5.536 7.630 -8.271 1.00 0.00 O ATOM 240 CB GLN A 38 -7.177 5.133 -9.198 1.00 0.00 C ATOM 241 CG GLN A 38 -7.115 3.883 -10.058 1.00 0.00 C ATOM 242 CD GLN A 38 -5.850 3.814 -10.893 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.301 4.840 -11.298 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.372 2.609 -11.147 1.00 0.00 N ATOM 0 H GLN A 38 -6.889 3.715 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.069 5.142 -8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.097 5.118 -8.613 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.225 6.009 -9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.172 3.002 -9.418 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.983 3.856 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.856 1.784 -10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.519 2.504 -11.696 1.00 0.00 H new ATOM 253 N THR A 39 -6.440 6.776 -6.406 1.00 0.00 N ATOM 254 CA THR A 39 -6.351 8.020 -5.656 1.00 0.00 C ATOM 255 C THR A 39 -4.922 8.229 -5.148 1.00 0.00 C ATOM 256 O THR A 39 -4.425 9.354 -5.092 1.00 0.00 O ATOM 257 CB THR A 39 -7.341 8.018 -4.473 1.00 0.00 C ATOM 258 OG1 THR A 39 -8.667 7.751 -4.958 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.324 9.349 -3.735 1.00 0.00 C ATOM 0 H THR A 39 -6.897 6.014 -5.905 1.00 0.00 H new ATOM 0 HA THR A 39 -6.614 8.842 -6.322 1.00 0.00 H new ATOM 0 HB THR A 39 -7.036 7.239 -3.774 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.715 6.830 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.032 9.315 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.323 9.538 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.605 10.149 -4.420 1.00 0.00 H new ATOM 267 N PHE A 40 -4.259 7.131 -4.807 1.00 0.00 N ATOM 268 CA PHE A 40 -2.877 7.175 -4.346 1.00 0.00 C ATOM 269 C PHE A 40 -1.930 7.537 -5.493 1.00 0.00 C ATOM 270 O PHE A 40 -0.922 8.215 -5.286 1.00 0.00 O ATOM 271 CB PHE A 40 -2.475 5.833 -3.721 1.00 0.00 C ATOM 272 CG PHE A 40 -1.029 5.767 -3.308 1.00 0.00 C ATOM 273 CD1 PHE A 40 -0.531 6.616 -2.329 1.00 0.00 C ATOM 274 CD2 PHE A 40 -0.169 4.861 -3.903 1.00 0.00 C ATOM 275 CE1 PHE A 40 0.799 6.560 -1.957 1.00 0.00 C ATOM 276 CE2 PHE A 40 1.160 4.800 -3.533 1.00 0.00 C ATOM 277 CZ PHE A 40 1.646 5.651 -2.558 1.00 0.00 C ATOM 0 H PHE A 40 -4.659 6.193 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.799 7.950 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.102 5.646 -2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.677 5.035 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.190 7.328 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.542 4.194 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.175 7.228 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.820 4.087 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.685 5.605 -2.267 1.00 0.00 H new ATOM 287 N VAL A 41 -2.263 7.069 -6.696 1.00 0.00 N ATOM 288 CA VAL A 41 -1.439 7.294 -7.886 1.00 0.00 C ATOM 289 C VAL A 41 -0.983 8.760 -8.040 1.00 0.00 C ATOM 290 O VAL A 41 0.215 9.007 -8.176 1.00 0.00 O ATOM 291 CB VAL A 41 -2.149 6.813 -9.176 1.00 0.00 C ATOM 292 CG1 VAL A 41 -1.384 7.249 -10.415 1.00 0.00 C ATOM 293 CG2 VAL A 41 -2.299 5.300 -9.160 1.00 0.00 C ATOM 0 H VAL A 41 -3.108 6.525 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.542 6.693 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.138 7.269 -9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.904 6.898 -11.306 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.318 8.337 -10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.380 6.825 -10.391 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.799 4.974 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.314 4.837 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.891 5.002 -8.295 1.00 0.00 H new ATOM 303 N PRO A 42 -1.898 9.755 -8.015 1.00 0.00 N ATOM 304 CA PRO A 42 -1.512 11.167 -8.118 1.00 0.00 C ATOM 305 C PRO A 42 -0.552 11.599 -7.013 1.00 0.00 C ATOM 306 O PRO A 42 0.310 12.451 -7.230 1.00 0.00 O ATOM 307 CB PRO A 42 -2.829 11.932 -7.984 1.00 0.00 C ATOM 308 CG PRO A 42 -3.886 10.947 -8.326 1.00 0.00 C ATOM 309 CD PRO A 42 -3.358 9.604 -7.914 1.00 0.00 C ATOM 0 HA PRO A 42 -0.986 11.357 -9.054 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.961 12.316 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.857 12.789 -8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.815 11.176 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.106 10.968 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.664 9.348 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.724 8.812 -8.568 1.00 0.00 H new ATOM 317 N TYR A 43 -0.700 11.021 -5.823 1.00 0.00 N ATOM 318 CA TYR A 43 0.163 11.382 -4.704 1.00 0.00 C ATOM 319 C TYR A 43 1.569 10.832 -4.900 1.00 0.00 C ATOM 320 O TYR A 43 2.532 11.396 -4.388 1.00 0.00 O ATOM 321 CB TYR A 43 -0.410 10.876 -3.376 1.00 0.00 C ATOM 322 CG TYR A 43 -1.668 11.597 -2.938 1.00 0.00 C ATOM 323 CD1 TYR A 43 -1.604 12.853 -2.339 1.00 0.00 C ATOM 324 CD2 TYR A 43 -2.921 11.023 -3.113 1.00 0.00 C ATOM 325 CE1 TYR A 43 -2.751 13.511 -1.935 1.00 0.00 C ATOM 326 CE2 TYR A 43 -4.070 11.675 -2.712 1.00 0.00 C ATOM 327 CZ TYR A 43 -3.980 12.917 -2.124 1.00 0.00 C ATOM 328 OH TYR A 43 -5.124 13.569 -1.725 1.00 0.00 O ATOM 0 H TYR A 43 -1.400 10.310 -5.611 1.00 0.00 H new ATOM 0 HA TYR A 43 0.212 12.470 -4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.626 9.811 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.348 10.983 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.642 13.321 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.998 10.048 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.684 14.485 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.035 11.213 -2.859 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.905 13.014 -1.931 1.00 0.00 H new ATOM 338 N ARG A 44 1.682 9.731 -5.641 1.00 0.00 N ATOM 339 CA ARG A 44 2.983 9.116 -5.903 1.00 0.00 C ATOM 340 C ARG A 44 3.927 10.123 -6.526 1.00 0.00 C ATOM 341 O ARG A 44 5.067 10.247 -6.109 1.00 0.00 O ATOM 342 CB ARG A 44 2.867 7.926 -6.846 1.00 0.00 C ATOM 343 CG ARG A 44 1.937 6.830 -6.375 1.00 0.00 C ATOM 344 CD ARG A 44 1.925 5.682 -7.376 1.00 0.00 C ATOM 345 NE ARG A 44 1.761 6.167 -8.747 1.00 0.00 N ATOM 346 CZ ARG A 44 1.861 5.399 -9.832 1.00 0.00 C ATOM 347 NH1 ARG A 44 2.037 4.088 -9.712 1.00 0.00 N ATOM 348 NH2 ARG A 44 1.774 5.947 -11.037 1.00 0.00 N ATOM 0 H ARG A 44 0.892 9.248 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 44 3.369 8.773 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.523 8.282 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.860 7.501 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.257 6.467 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.929 7.226 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.855 5.119 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.115 4.994 -7.133 1.00 0.00 H new ATOM 0 HE ARG A 44 1.557 7.157 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.096 3.664 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.113 3.505 -10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.631 6.953 -11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.850 5.363 -11.870 1.00 0.00 H new ATOM 362 N THR A 45 3.439 10.827 -7.537 1.00 0.00 N ATOM 363 CA THR A 45 4.217 11.854 -8.212 1.00 0.00 C ATOM 364 C THR A 45 4.792 12.864 -7.215 1.00 0.00 C ATOM 365 O THR A 45 5.958 13.246 -7.308 1.00 0.00 O ATOM 366 CB THR A 45 3.338 12.583 -9.240 1.00 0.00 C ATOM 367 OG1 THR A 45 2.622 11.619 -10.031 1.00 0.00 O ATOM 368 CG2 THR A 45 4.172 13.470 -10.151 1.00 0.00 C ATOM 0 H THR A 45 2.498 10.703 -7.910 1.00 0.00 H new ATOM 0 HA THR A 45 5.049 11.367 -8.720 1.00 0.00 H new ATOM 0 HB THR A 45 2.636 13.217 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.060 12.085 -10.685 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.520 13.971 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.696 14.216 -9.553 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.898 12.860 -10.688 1.00 0.00 H new ATOM 376 N ALA A 46 3.984 13.261 -6.243 1.00 0.00 N ATOM 377 CA ALA A 46 4.433 14.175 -5.197 1.00 0.00 C ATOM 378 C ALA A 46 5.476 13.493 -4.319 1.00 0.00 C ATOM 379 O ALA A 46 6.479 14.092 -3.919 1.00 0.00 O ATOM 380 CB ALA A 46 3.249 14.627 -4.356 1.00 0.00 C ATOM 0 H ALA A 46 3.012 12.965 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 46 4.886 15.050 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.594 15.308 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.525 15.138 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.778 13.759 -3.895 1.00 0.00 H new ATOM 386 N VAL A 47 5.224 12.222 -4.047 1.00 0.00 N ATOM 387 CA VAL A 47 6.129 11.401 -3.259 1.00 0.00 C ATOM 388 C VAL A 47 7.470 11.245 -3.975 1.00 0.00 C ATOM 389 O VAL A 47 8.517 11.286 -3.344 1.00 0.00 O ATOM 390 CB VAL A 47 5.521 10.009 -2.967 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.535 9.100 -2.291 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.272 10.139 -2.108 1.00 0.00 C ATOM 0 H VAL A 47 4.388 11.732 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 47 6.289 11.908 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 47 5.243 9.559 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.081 8.128 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.400 8.973 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.852 9.546 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.859 9.149 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.529 10.617 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.532 10.744 -2.631 1.00 0.00 H new ATOM 402 N GLU A 48 7.424 11.096 -5.297 1.00 0.00 N ATOM 403 CA GLU A 48 8.634 10.924 -6.097 1.00 0.00 C ATOM 404 C GLU A 48 9.546 12.136 -5.973 1.00 0.00 C ATOM 405 O GLU A 48 10.761 11.994 -5.828 1.00 0.00 O ATOM 406 CB GLU A 48 8.296 10.700 -7.574 1.00 0.00 C ATOM 407 CG GLU A 48 7.477 9.451 -7.844 1.00 0.00 C ATOM 408 CD GLU A 48 7.215 9.256 -9.320 1.00 0.00 C ATOM 409 OE1 GLU A 48 6.303 9.912 -9.861 1.00 0.00 O ATOM 410 OE2 GLU A 48 7.930 8.453 -9.953 1.00 0.00 O ATOM 0 H GLU A 48 6.559 11.091 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 48 9.150 10.044 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.749 11.567 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.224 10.642 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.002 8.581 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.528 9.518 -7.313 1.00 0.00 H new ATOM 417 N LEU A 49 8.955 13.324 -6.024 1.00 0.00 N ATOM 418 CA LEU A 49 9.720 14.563 -5.902 1.00 0.00 C ATOM 419 C LEU A 49 10.421 14.630 -4.552 1.00 0.00 C ATOM 420 O LEU A 49 11.602 14.960 -4.468 1.00 0.00 O ATOM 421 CB LEU A 49 8.815 15.788 -6.087 1.00 0.00 C ATOM 422 CG LEU A 49 8.629 16.278 -7.533 1.00 0.00 C ATOM 423 CD1 LEU A 49 9.960 16.695 -8.139 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.968 15.217 -8.398 1.00 0.00 C ATOM 0 H LEU A 49 7.951 13.457 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 49 10.473 14.569 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.833 15.555 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.223 16.608 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 49 7.972 17.147 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.803 17.038 -9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.392 17.503 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.641 15.844 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.852 15.596 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.589 14.322 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.988 14.972 -7.988 1.00 0.00 H new ATOM 436 N CYS A 50 9.690 14.290 -3.503 1.00 0.00 N ATOM 437 CA CYS A 50 10.247 14.265 -2.157 1.00 0.00 C ATOM 438 C CYS A 50 11.269 13.135 -2.013 1.00 0.00 C ATOM 439 O CYS A 50 12.299 13.290 -1.352 1.00 0.00 O ATOM 440 CB CYS A 50 9.122 14.098 -1.135 1.00 0.00 C ATOM 441 SG CYS A 50 9.692 13.739 0.556 1.00 0.00 S ATOM 0 H CYS A 50 8.706 14.026 -3.556 1.00 0.00 H new ATOM 0 HA CYS A 50 10.759 15.210 -1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.524 15.009 -1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.466 13.292 -1.463 1.00 0.00 H new ATOM 446 N ALA A 51 10.993 12.016 -2.674 1.00 0.00 N ATOM 447 CA ALA A 51 11.830 10.828 -2.563 1.00 0.00 C ATOM 448 C ALA A 51 13.173 11.048 -3.238 1.00 0.00 C ATOM 449 O ALA A 51 14.203 10.609 -2.747 1.00 0.00 O ATOM 450 CB ALA A 51 11.138 9.617 -3.171 1.00 0.00 C ATOM 0 H ALA A 51 10.191 11.907 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 51 11.997 10.639 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.783 8.743 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.199 9.434 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.935 9.805 -4.225 1.00 0.00 H new ATOM 456 N LEU A 52 13.146 11.728 -4.373 1.00 0.00 N ATOM 457 CA LEU A 52 14.346 11.936 -5.170 1.00 0.00 C ATOM 458 C LEU A 52 15.165 13.102 -4.627 1.00 0.00 C ATOM 459 O LEU A 52 16.380 13.159 -4.814 1.00 0.00 O ATOM 460 CB LEU A 52 13.964 12.187 -6.633 1.00 0.00 C ATOM 461 CG LEU A 52 15.132 12.283 -7.618 1.00 0.00 C ATOM 462 CD1 LEU A 52 15.925 10.983 -7.645 1.00 0.00 C ATOM 463 CD2 LEU A 52 14.617 12.621 -9.008 1.00 0.00 C ATOM 0 H LEU A 52 12.303 12.147 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 52 14.960 11.037 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.303 11.384 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.391 13.113 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 52 15.799 13.079 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.750 11.075 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.321 10.777 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.273 10.165 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.456 12.687 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.931 11.842 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.094 13.577 -8.980 1.00 0.00 H new ATOM 475 N GLU A 53 14.493 14.021 -3.944 1.00 0.00 N ATOM 476 CA GLU A 53 15.143 15.210 -3.404 1.00 0.00 C ATOM 477 C GLU A 53 16.230 14.832 -2.398 1.00 0.00 C ATOM 478 O GLU A 53 17.330 15.381 -2.422 1.00 0.00 O ATOM 479 CB GLU A 53 14.102 16.122 -2.745 1.00 0.00 C ATOM 480 CG GLU A 53 14.668 17.440 -2.242 1.00 0.00 C ATOM 481 CD GLU A 53 15.341 18.231 -3.343 1.00 0.00 C ATOM 482 OE1 GLU A 53 14.641 18.686 -4.269 1.00 0.00 O ATOM 483 OE2 GLU A 53 16.576 18.399 -3.292 1.00 0.00 O ATOM 0 H GLU A 53 13.493 13.965 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 53 15.617 15.746 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.308 16.329 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.646 15.591 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.865 18.036 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.387 17.245 -1.446 1.00 0.00 H new ATOM 490 N HIS A 54 15.912 13.895 -1.519 1.00 0.00 N ATOM 491 CA HIS A 54 16.867 13.452 -0.507 1.00 0.00 C ATOM 492 C HIS A 54 17.356 12.035 -0.806 1.00 0.00 C ATOM 493 O HIS A 54 18.323 11.554 -0.217 1.00 0.00 O ATOM 494 CB HIS A 54 16.238 13.517 0.890 1.00 0.00 C ATOM 495 CG HIS A 54 15.918 14.911 1.342 1.00 0.00 C ATOM 496 ND1 HIS A 54 14.910 15.745 0.996 1.00 0.00 N flip ATOM 497 CD2 HIS A 54 16.680 15.598 2.261 1.00 0.00 C flip ATOM 498 CE1 HIS A 54 15.082 16.905 1.706 1.00 0.00 C flip ATOM 499 NE2 HIS A 54 16.155 16.791 2.462 1.00 0.00 N flip ATOM 0 H HIS A 54 15.006 13.427 -1.483 1.00 0.00 H new ATOM 0 HA HIS A 54 17.726 14.123 -0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.324 12.924 0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 54 16.919 13.059 1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.569 15.219 2.742 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.441 17.773 1.654 1.00 0.00 H new ATOM 0 HE2 HIS A 54 16.518 17.504 3.095 1.00 0.00 H new ATOM 508 N GLY A 55 16.666 11.371 -1.721 1.00 0.00 N ATOM 509 CA GLY A 55 16.995 10.010 -2.112 1.00 0.00 C ATOM 510 C GLY A 55 16.422 8.995 -1.145 1.00 0.00 C ATOM 511 O GLY A 55 16.298 7.815 -1.469 1.00 0.00 O ATOM 0 H GLY A 55 15.862 11.761 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.610 9.816 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.078 9.897 -2.159 1.00 0.00 H new ATOM 515 N GLY A 56 16.078 9.462 0.048 1.00 0.00 N ATOM 516 CA GLY A 56 15.242 8.681 0.930 1.00 0.00 C ATOM 517 C GLY A 56 13.905 9.338 1.220 1.00 0.00 C ATOM 518 O GLY A 56 13.783 10.564 1.207 1.00 0.00 O ATOM 0 H GLY A 56 16.364 10.368 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.070 7.701 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.770 8.515 1.869 1.00 0.00 H new ATOM 522 N LEU A 57 12.909 8.504 1.488 1.00 0.00 N ATOM 523 CA LEU A 57 11.564 8.953 1.838 1.00 0.00 C ATOM 524 C LEU A 57 11.502 9.518 3.250 1.00 0.00 C ATOM 525 O LEU A 57 10.446 9.945 3.706 1.00 0.00 O ATOM 526 CB LEU A 57 10.575 7.798 1.712 1.00 0.00 C ATOM 527 CG LEU A 57 10.283 7.340 0.287 1.00 0.00 C ATOM 528 CD1 LEU A 57 9.638 5.966 0.293 1.00 0.00 C ATOM 529 CD2 LEU A 57 9.379 8.339 -0.412 1.00 0.00 C ATOM 0 H LEU A 57 13.010 7.489 1.469 1.00 0.00 H new ATOM 0 HA LEU A 57 11.298 9.749 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.960 6.949 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.636 8.093 2.180 1.00 0.00 H new ATOM 0 HG LEU A 57 11.226 7.279 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.436 5.654 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.311 5.250 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.702 6.006 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.179 8.000 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.439 8.424 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.869 9.312 -0.444 1.00 0.00 H new ATOM 541 N ASP A 58 12.625 9.476 3.953 1.00 0.00 N ATOM 542 CA ASP A 58 12.693 9.912 5.349 1.00 0.00 C ATOM 543 C ASP A 58 12.123 11.321 5.544 1.00 0.00 C ATOM 544 O ASP A 58 11.590 11.642 6.605 1.00 0.00 O ATOM 545 CB ASP A 58 14.138 9.862 5.847 1.00 0.00 C ATOM 546 CG ASP A 58 14.286 10.343 7.280 1.00 0.00 C ATOM 547 OD1 ASP A 58 14.779 11.472 7.483 1.00 0.00 O ATOM 548 OD2 ASP A 58 13.912 9.591 8.211 1.00 0.00 O ATOM 0 H ASP A 58 13.513 9.141 3.578 1.00 0.00 H new ATOM 0 HA ASP A 58 12.079 9.226 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.508 8.839 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.762 10.475 5.197 1.00 0.00 H new ATOM 553 N THR A 59 12.229 12.161 4.530 1.00 0.00 N ATOM 554 CA THR A 59 11.712 13.519 4.620 1.00 0.00 C ATOM 555 C THR A 59 10.256 13.612 4.157 1.00 0.00 C ATOM 556 O THR A 59 9.624 14.660 4.259 1.00 0.00 O ATOM 557 CB THR A 59 12.585 14.478 3.793 1.00 0.00 C ATOM 558 OG1 THR A 59 12.768 13.957 2.466 1.00 0.00 O ATOM 559 CG2 THR A 59 13.942 14.666 4.455 1.00 0.00 C ATOM 0 H THR A 59 12.666 11.930 3.638 1.00 0.00 H new ATOM 0 HA THR A 59 11.745 13.808 5.670 1.00 0.00 H new ATOM 0 HB THR A 59 12.080 15.442 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.382 14.537 1.969 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.547 15.347 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.805 15.083 5.453 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.447 13.703 4.530 1.00 0.00 H new ATOM 567 N CYS A 60 9.717 12.505 3.681 1.00 0.00 N ATOM 568 CA CYS A 60 8.379 12.492 3.111 1.00 0.00 C ATOM 569 C CYS A 60 7.330 12.214 4.182 1.00 0.00 C ATOM 570 O CYS A 60 6.692 11.161 4.198 1.00 0.00 O ATOM 571 CB CYS A 60 8.307 11.452 1.995 1.00 0.00 C ATOM 572 SG CYS A 60 9.540 11.718 0.681 1.00 0.00 S ATOM 0 H CYS A 60 10.186 11.599 3.677 1.00 0.00 H new ATOM 0 HA CYS A 60 8.166 13.476 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.451 10.460 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.309 11.469 1.556 1.00 0.00 H new ATOM 577 N ASP A 61 7.168 13.166 5.083 1.00 0.00 N ATOM 578 CA ASP A 61 6.215 13.034 6.175 1.00 0.00 C ATOM 579 C ASP A 61 4.962 13.853 5.892 1.00 0.00 C ATOM 580 O ASP A 61 5.048 14.990 5.422 1.00 0.00 O ATOM 581 CB ASP A 61 6.861 13.487 7.483 1.00 0.00 C ATOM 582 CG ASP A 61 5.943 13.324 8.674 1.00 0.00 C ATOM 583 OD1 ASP A 61 5.592 14.343 9.300 1.00 0.00 O ATOM 584 OD2 ASP A 61 5.571 12.178 8.988 1.00 0.00 O ATOM 0 H ASP A 61 7.686 14.044 5.081 1.00 0.00 H new ATOM 0 HA ASP A 61 5.926 11.987 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.773 12.914 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.154 14.533 7.396 1.00 0.00 H new ATOM 589 N GLY A 62 3.804 13.268 6.185 1.00 0.00 N ATOM 590 CA GLY A 62 2.538 13.908 5.882 1.00 0.00 C ATOM 591 C GLY A 62 2.336 15.198 6.650 1.00 0.00 C ATOM 592 O GLY A 62 2.114 15.179 7.863 1.00 0.00 O ATOM 0 H GLY A 62 3.721 12.354 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.487 14.115 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.724 13.221 6.113 1.00 0.00 H new ATOM 596 N GLY A 63 2.404 16.313 5.943 1.00 0.00 N ATOM 597 CA GLY A 63 2.277 17.608 6.576 1.00 0.00 C ATOM 598 C GLY A 63 3.532 18.441 6.427 1.00 0.00 C ATOM 599 O GLY A 63 3.574 19.595 6.848 1.00 0.00 O ATOM 0 H GLY A 63 2.546 16.345 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.434 18.143 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.056 17.473 7.635 1.00 0.00 H new ATOM 603 N SER A 64 4.561 17.861 5.822 1.00 0.00 N ATOM 604 CA SER A 64 5.819 18.562 5.642 1.00 0.00 C ATOM 605 C SER A 64 6.355 18.355 4.226 1.00 0.00 C ATOM 606 O SER A 64 5.866 17.490 3.499 1.00 0.00 O ATOM 607 CB SER A 64 6.835 18.073 6.673 1.00 0.00 C ATOM 608 OG SER A 64 7.100 16.687 6.513 1.00 0.00 O ATOM 0 H SER A 64 4.546 16.911 5.450 1.00 0.00 H new ATOM 0 HA SER A 64 5.650 19.629 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.762 18.638 6.571 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.457 18.260 7.678 1.00 0.00 H new ATOM 0 HG SER A 64 6.312 16.245 6.135 1.00 0.00 H new ATOM 614 N ASN A 65 7.355 19.153 3.846 1.00 0.00 N ATOM 615 CA ASN A 65 8.006 19.042 2.533 1.00 0.00 C ATOM 616 C ASN A 65 7.009 19.153 1.381 1.00 0.00 C ATOM 617 O ASN A 65 7.140 18.469 0.364 1.00 0.00 O ATOM 618 CB ASN A 65 8.797 17.730 2.425 1.00 0.00 C ATOM 619 CG ASN A 65 10.090 17.770 3.225 1.00 0.00 C ATOM 620 OD1 ASN A 65 11.140 18.144 2.702 1.00 0.00 O ATOM 621 ND2 ASN A 65 10.031 17.391 4.494 1.00 0.00 N ATOM 0 H ASN A 65 7.737 19.893 4.435 1.00 0.00 H new ATOM 0 HA ASN A 65 8.696 19.882 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.179 16.905 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.026 17.531 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.873 17.404 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.144 17.087 4.895 1.00 0.00 H new ATOM 628 N GLY A 66 6.015 20.017 1.543 1.00 0.00 N ATOM 629 CA GLY A 66 5.034 20.228 0.495 1.00 0.00 C ATOM 630 C GLY A 66 4.008 19.115 0.422 1.00 0.00 C ATOM 631 O GLY A 66 3.071 19.174 -0.376 1.00 0.00 O ATOM 0 H GLY A 66 5.870 20.577 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.524 21.176 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.545 20.309 -0.464 1.00 0.00 H new ATOM 635 N ILE A 67 4.175 18.103 1.259 1.00 0.00 N ATOM 636 CA ILE A 67 3.265 16.978 1.288 1.00 0.00 C ATOM 637 C ILE A 67 2.102 17.280 2.224 1.00 0.00 C ATOM 638 O ILE A 67 2.314 17.699 3.364 1.00 0.00 O ATOM 639 CB ILE A 67 3.990 15.692 1.747 1.00 0.00 C ATOM 640 CG1 ILE A 67 5.140 15.374 0.789 1.00 0.00 C ATOM 641 CG2 ILE A 67 3.022 14.517 1.823 1.00 0.00 C ATOM 642 CD1 ILE A 67 5.887 14.109 1.140 1.00 0.00 C ATOM 0 H ILE A 67 4.940 18.042 1.931 1.00 0.00 H new ATOM 0 HA ILE A 67 2.887 16.815 0.279 1.00 0.00 H new ATOM 0 HB ILE A 67 4.393 15.860 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.745 15.284 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.840 16.210 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.557 13.625 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.229 14.744 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.586 14.340 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.688 13.947 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.313 14.203 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.201 13.263 1.116 1.00 0.00 H new ATOM 654 N PRO A 68 0.857 17.101 1.745 1.00 0.00 N ATOM 655 CA PRO A 68 -0.345 17.362 2.543 1.00 0.00 C ATOM 656 C PRO A 68 -0.402 16.503 3.805 1.00 0.00 C ATOM 657 O PRO A 68 0.304 15.501 3.923 1.00 0.00 O ATOM 658 CB PRO A 68 -1.498 16.994 1.601 1.00 0.00 C ATOM 659 CG PRO A 68 -0.914 17.048 0.234 1.00 0.00 C ATOM 660 CD PRO A 68 0.521 16.638 0.386 1.00 0.00 C ATOM 0 HA PRO A 68 -0.377 18.394 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.888 16.001 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.328 17.693 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.443 16.378 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.992 18.051 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.645 15.560 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.156 17.104 -0.368 1.00 0.00 H new ATOM 668 N SER A 69 -1.266 16.890 4.730 1.00 0.00 N ATOM 669 CA SER A 69 -1.385 16.199 5.999 1.00 0.00 C ATOM 670 C SER A 69 -2.314 15.005 5.841 1.00 0.00 C ATOM 671 O SER A 69 -3.245 15.047 5.033 1.00 0.00 O ATOM 672 CB SER A 69 -1.928 17.158 7.057 1.00 0.00 C ATOM 673 OG SER A 69 -3.171 17.706 6.654 1.00 0.00 O ATOM 0 H SER A 69 -1.897 17.684 4.622 1.00 0.00 H new ATOM 0 HA SER A 69 -0.404 15.845 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.048 16.631 8.003 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.211 17.961 7.228 1.00 0.00 H new ATOM 0 HG SER A 69 -3.500 18.315 7.347 1.00 0.00 H new ATOM 679 N PRO A 70 -2.074 13.922 6.595 1.00 0.00 N ATOM 680 CA PRO A 70 -2.908 12.730 6.516 1.00 0.00 C ATOM 681 C PRO A 70 -4.342 13.023 6.936 1.00 0.00 C ATOM 682 O PRO A 70 -4.597 13.534 8.029 1.00 0.00 O ATOM 683 CB PRO A 70 -2.241 11.748 7.485 1.00 0.00 C ATOM 684 CG PRO A 70 -1.422 12.597 8.395 1.00 0.00 C ATOM 685 CD PRO A 70 -0.988 13.782 7.576 1.00 0.00 C ATOM 0 HA PRO A 70 -2.978 12.340 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.984 11.177 8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.620 11.028 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.003 12.913 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.560 12.046 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.879 14.677 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.027 13.608 7.092 1.00 0.00 H new ATOM 693 N THR A 71 -5.266 12.708 6.053 1.00 0.00 N ATOM 694 CA THR A 71 -6.670 12.980 6.286 1.00 0.00 C ATOM 695 C THR A 71 -7.504 11.783 5.866 1.00 0.00 C ATOM 696 O THR A 71 -7.004 10.861 5.226 1.00 0.00 O ATOM 697 CB THR A 71 -7.131 14.246 5.521 1.00 0.00 C ATOM 698 OG1 THR A 71 -8.473 14.600 5.891 1.00 0.00 O ATOM 699 CG2 THR A 71 -7.060 14.038 4.016 1.00 0.00 C ATOM 0 H THR A 71 -5.068 12.259 5.159 1.00 0.00 H new ATOM 0 HA THR A 71 -6.810 13.162 7.352 1.00 0.00 H new ATOM 0 HB THR A 71 -6.455 15.056 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.747 15.402 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.390 14.944 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.033 13.813 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.706 13.207 3.733 1.00 0.00 H new ATOM 707 N THR A 72 -8.769 11.806 6.217 1.00 0.00 N ATOM 708 CA THR A 72 -9.648 10.705 5.907 1.00 0.00 C ATOM 709 C THR A 72 -10.777 11.164 5.007 1.00 0.00 C ATOM 710 O THR A 72 -11.510 12.103 5.330 1.00 0.00 O ATOM 711 CB THR A 72 -10.223 10.074 7.186 1.00 0.00 C ATOM 712 OG1 THR A 72 -10.682 11.099 8.079 1.00 0.00 O ATOM 713 CG2 THR A 72 -9.176 9.221 7.883 1.00 0.00 C ATOM 0 H THR A 72 -9.212 12.576 6.718 1.00 0.00 H new ATOM 0 HA THR A 72 -9.061 9.949 5.385 1.00 0.00 H new ATOM 0 HB THR A 72 -11.062 9.438 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.145 11.795 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.604 8.784 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.851 8.425 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.321 9.841 8.151 1.00 0.00 H new ATOM 721 N THR A 73 -10.906 10.504 3.874 1.00 0.00 N ATOM 722 CA THR A 73 -11.984 10.761 2.953 1.00 0.00 C ATOM 723 C THR A 73 -13.229 10.015 3.412 1.00 0.00 C ATOM 724 O THR A 73 -13.179 9.303 4.417 1.00 0.00 O ATOM 725 CB THR A 73 -11.593 10.337 1.524 1.00 0.00 C ATOM 726 OG1 THR A 73 -11.106 8.991 1.536 1.00 0.00 O ATOM 727 CG2 THR A 73 -10.522 11.261 0.955 1.00 0.00 C ATOM 0 H THR A 73 -10.263 9.774 3.569 1.00 0.00 H new ATOM 0 HA THR A 73 -12.193 11.831 2.938 1.00 0.00 H new ATOM 0 HB THR A 73 -12.479 10.403 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.860 8.724 0.626 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.264 10.940 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.901 12.283 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.635 11.222 1.587 1.00 0.00 H new ATOM 735 N ARG A 74 -14.332 10.175 2.696 1.00 0.00 N ATOM 736 CA ARG A 74 -15.608 9.600 3.112 1.00 0.00 C ATOM 737 C ARG A 74 -15.492 8.099 3.375 1.00 0.00 C ATOM 738 O ARG A 74 -16.029 7.600 4.360 1.00 0.00 O ATOM 739 CB ARG A 74 -16.679 9.858 2.043 1.00 0.00 C ATOM 740 CG ARG A 74 -18.036 9.236 2.355 1.00 0.00 C ATOM 741 CD ARG A 74 -18.592 9.740 3.683 1.00 0.00 C ATOM 742 NE ARG A 74 -18.641 11.200 3.734 1.00 0.00 N ATOM 743 CZ ARG A 74 -18.786 11.904 4.856 1.00 0.00 C ATOM 744 NH1 ARG A 74 -18.923 11.286 6.022 1.00 0.00 N ATOM 745 NH2 ARG A 74 -18.792 13.231 4.809 1.00 0.00 N ATOM 0 H ARG A 74 -14.372 10.699 1.822 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.898 10.084 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.804 10.934 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.325 9.469 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.737 9.470 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.941 8.151 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.594 9.338 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.973 9.369 4.500 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.559 11.712 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.918 10.267 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.034 11.830 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.686 13.710 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.903 13.771 5.667 1.00 0.00 H new ATOM 759 N TYR A 75 -14.792 7.378 2.513 1.00 0.00 N ATOM 760 CA TYR A 75 -14.696 5.931 2.647 1.00 0.00 C ATOM 761 C TYR A 75 -13.476 5.486 3.455 1.00 0.00 C ATOM 762 O TYR A 75 -13.403 4.335 3.892 1.00 0.00 O ATOM 763 CB TYR A 75 -14.659 5.291 1.264 1.00 0.00 C ATOM 764 CG TYR A 75 -15.873 5.614 0.424 1.00 0.00 C ATOM 765 CD1 TYR A 75 -17.153 5.384 0.909 1.00 0.00 C ATOM 766 CD2 TYR A 75 -15.739 6.146 -0.850 1.00 0.00 C ATOM 767 CE1 TYR A 75 -18.265 5.674 0.146 1.00 0.00 C ATOM 768 CE2 TYR A 75 -16.848 6.440 -1.618 1.00 0.00 C ATOM 769 CZ TYR A 75 -18.108 6.202 -1.115 1.00 0.00 C ATOM 770 OH TYR A 75 -19.214 6.495 -1.878 1.00 0.00 O ATOM 0 H TYR A 75 -14.285 7.767 1.718 1.00 0.00 H new ATOM 0 HA TYR A 75 -15.578 5.601 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.764 5.626 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.579 4.210 1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -17.280 4.972 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -14.752 6.333 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -19.254 5.487 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -16.728 6.854 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 75 -18.928 6.862 -2.741 1.00 0.00 H new ATOM 780 N VAL A 76 -12.513 6.370 3.646 1.00 0.00 N ATOM 781 CA VAL A 76 -11.307 6.016 4.383 1.00 0.00 C ATOM 782 C VAL A 76 -11.478 6.327 5.862 1.00 0.00 C ATOM 783 O VAL A 76 -11.744 7.465 6.239 1.00 0.00 O ATOM 784 CB VAL A 76 -10.064 6.742 3.831 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.842 6.471 4.701 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.797 6.308 2.398 1.00 0.00 C ATOM 0 H VAL A 76 -12.539 7.331 3.305 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.151 4.945 4.256 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.260 7.814 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.979 6.995 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.031 6.824 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.640 5.400 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.917 6.827 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.624 5.232 2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.659 6.553 1.777 1.00 0.00 H new ATOM 796 N SER A 77 -11.323 5.307 6.693 1.00 0.00 N ATOM 797 CA SER A 77 -11.560 5.450 8.122 1.00 0.00 C ATOM 798 C SER A 77 -10.310 5.959 8.835 1.00 0.00 C ATOM 799 O SER A 77 -10.405 6.667 9.839 1.00 0.00 O ATOM 800 CB SER A 77 -12.008 4.109 8.718 1.00 0.00 C ATOM 801 OG SER A 77 -12.438 4.252 10.061 1.00 0.00 O ATOM 0 H SER A 77 -11.035 4.373 6.403 1.00 0.00 H new ATOM 0 HA SER A 77 -12.353 6.184 8.267 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.819 3.696 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.184 3.397 8.673 1.00 0.00 H new ATOM 0 HG SER A 77 -12.718 3.380 10.410 1.00 0.00 H new ATOM 807 N ALA A 78 -9.142 5.604 8.314 1.00 0.00 N ATOM 808 CA ALA A 78 -7.884 6.027 8.911 1.00 0.00 C ATOM 809 C ALA A 78 -6.737 5.873 7.928 1.00 0.00 C ATOM 810 O ALA A 78 -6.732 4.941 7.120 1.00 0.00 O ATOM 811 CB ALA A 78 -7.598 5.228 10.169 1.00 0.00 C ATOM 0 H ALA A 78 -9.041 5.025 7.480 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.975 7.081 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.654 5.557 10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.401 5.383 10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.533 4.169 9.920 1.00 0.00 H new ATOM 817 N MET A 79 -5.778 6.791 8.002 1.00 0.00 N ATOM 818 CA MET A 79 -4.577 6.733 7.178 1.00 0.00 C ATOM 819 C MET A 79 -3.564 7.770 7.652 1.00 0.00 C ATOM 820 O MET A 79 -3.938 8.862 8.087 1.00 0.00 O ATOM 821 CB MET A 79 -4.906 6.948 5.692 1.00 0.00 C ATOM 822 CG MET A 79 -5.310 8.371 5.327 1.00 0.00 C ATOM 823 SD MET A 79 -3.900 9.428 4.913 1.00 0.00 S ATOM 824 CE MET A 79 -3.273 8.608 3.446 1.00 0.00 C ATOM 0 H MET A 79 -5.812 7.592 8.632 1.00 0.00 H new ATOM 0 HA MET A 79 -4.144 5.738 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 79 -4.036 6.668 5.098 1.00 0.00 H new ATOM 0 HB3 MET A 79 -5.714 6.272 5.412 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.995 8.341 4.480 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.854 8.813 6.162 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.759 9.333 2.816 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.576 7.822 3.738 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.103 8.169 2.892 1.00 0.00 H new ATOM 834 N SER A 80 -2.294 7.408 7.605 1.00 0.00 N ATOM 835 CA SER A 80 -1.231 8.337 7.947 1.00 0.00 C ATOM 836 C SER A 80 -0.011 8.105 7.063 1.00 0.00 C ATOM 837 O SER A 80 0.186 7.009 6.536 1.00 0.00 O ATOM 838 CB SER A 80 -0.859 8.199 9.428 1.00 0.00 C ATOM 839 OG SER A 80 0.022 9.234 9.833 1.00 0.00 O ATOM 0 H SER A 80 -1.974 6.478 7.334 1.00 0.00 H new ATOM 0 HA SER A 80 -1.589 9.352 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.763 8.228 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.390 7.230 9.599 1.00 0.00 H new ATOM 0 HG SER A 80 0.242 9.124 10.782 1.00 0.00 H new ATOM 845 N VAL A 81 0.795 9.146 6.905 1.00 0.00 N ATOM 846 CA VAL A 81 1.977 9.093 6.058 1.00 0.00 C ATOM 847 C VAL A 81 3.229 9.251 6.911 1.00 0.00 C ATOM 848 O VAL A 81 3.429 10.296 7.528 1.00 0.00 O ATOM 849 CB VAL A 81 1.959 10.213 4.994 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.098 10.045 3.997 1.00 0.00 C ATOM 851 CG2 VAL A 81 0.617 10.264 4.280 1.00 0.00 C ATOM 0 H VAL A 81 0.648 10.048 7.359 1.00 0.00 H new ATOM 0 HA VAL A 81 1.979 8.128 5.552 1.00 0.00 H new ATOM 0 HB VAL A 81 2.104 11.162 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.059 10.848 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.051 10.082 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.000 9.084 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.631 11.061 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.431 9.310 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.174 10.458 5.005 1.00 0.00 H new ATOM 861 N ALA A 82 4.069 8.228 6.932 1.00 0.00 N ATOM 862 CA ALA A 82 5.281 8.250 7.731 1.00 0.00 C ATOM 863 C ALA A 82 6.473 7.826 6.892 1.00 0.00 C ATOM 864 O ALA A 82 6.608 6.661 6.522 1.00 0.00 O ATOM 865 CB ALA A 82 5.143 7.341 8.937 1.00 0.00 C ATOM 0 H ALA A 82 3.931 7.368 6.401 1.00 0.00 H new ATOM 0 HA ALA A 82 5.441 9.269 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.062 7.372 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.309 7.677 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.959 6.320 8.604 1.00 0.00 H new ATOM 871 N LYS A 83 7.337 8.792 6.634 1.00 0.00 N ATOM 872 CA LYS A 83 8.525 8.587 5.806 1.00 0.00 C ATOM 873 C LYS A 83 8.127 7.944 4.468 1.00 0.00 C ATOM 874 O LYS A 83 8.749 6.985 4.015 1.00 0.00 O ATOM 875 CB LYS A 83 9.546 7.694 6.531 1.00 0.00 C ATOM 876 CG LYS A 83 9.795 8.070 7.989 1.00 0.00 C ATOM 877 CD LYS A 83 10.254 9.510 8.141 1.00 0.00 C ATOM 878 CE LYS A 83 10.679 9.820 9.567 1.00 0.00 C ATOM 879 NZ LYS A 83 11.886 9.046 9.964 1.00 0.00 N ATOM 0 H LYS A 83 7.240 9.743 6.990 1.00 0.00 H new ATOM 0 HA LYS A 83 8.985 9.557 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.200 6.661 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.492 7.735 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.880 7.920 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.548 7.404 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.087 9.699 7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.447 10.182 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.884 10.886 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.860 9.591 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.342 9.507 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.608 8.079 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.553 9.010 9.167 1.00 0.00 H new ATOM 893 N GLY A 84 7.056 8.467 3.873 1.00 0.00 N ATOM 894 CA GLY A 84 6.530 7.953 2.612 1.00 0.00 C ATOM 895 C GLY A 84 5.651 6.723 2.783 1.00 0.00 C ATOM 896 O GLY A 84 4.787 6.450 1.952 1.00 0.00 O ATOM 0 H GLY A 84 6.531 9.256 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.954 8.737 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.362 7.707 1.952 1.00 0.00 H new ATOM 900 N VAL A 85 5.869 5.993 3.866 1.00 0.00 N ATOM 901 CA VAL A 85 5.047 4.835 4.201 1.00 0.00 C ATOM 902 C VAL A 85 3.649 5.286 4.601 1.00 0.00 C ATOM 903 O VAL A 85 3.495 6.304 5.269 1.00 0.00 O ATOM 904 CB VAL A 85 5.685 4.013 5.339 1.00 0.00 C ATOM 905 CG1 VAL A 85 4.858 2.778 5.664 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.105 3.626 4.968 1.00 0.00 C ATOM 0 H VAL A 85 6.615 6.183 4.535 1.00 0.00 H new ATOM 0 HA VAL A 85 4.980 4.198 3.319 1.00 0.00 H new ATOM 0 HB VAL A 85 5.710 4.634 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.336 2.222 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.858 3.081 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.786 2.145 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.547 3.046 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.093 3.027 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.696 4.527 4.802 1.00 0.00 H new ATOM 916 N VAL A 86 2.628 4.541 4.211 1.00 0.00 N ATOM 917 CA VAL A 86 1.261 4.959 4.467 1.00 0.00 C ATOM 918 C VAL A 86 0.446 3.801 5.035 1.00 0.00 C ATOM 919 O VAL A 86 0.248 2.771 4.383 1.00 0.00 O ATOM 920 CB VAL A 86 0.573 5.533 3.202 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.226 6.840 2.789 1.00 0.00 C ATOM 922 CG2 VAL A 86 0.613 4.548 2.047 1.00 0.00 C ATOM 0 H VAL A 86 2.719 3.651 3.720 1.00 0.00 H new ATOM 0 HA VAL A 86 1.305 5.762 5.203 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.472 5.716 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.731 7.229 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.137 7.563 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.280 6.667 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.121 4.986 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.650 4.319 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.097 3.631 2.332 1.00 0.00 H new ATOM 932 N SER A 87 0.034 3.952 6.279 1.00 0.00 N ATOM 933 CA SER A 87 -0.790 2.948 6.924 1.00 0.00 C ATOM 934 C SER A 87 -2.238 3.405 7.000 1.00 0.00 C ATOM 935 O SER A 87 -2.550 4.463 7.549 1.00 0.00 O ATOM 936 CB SER A 87 -0.252 2.635 8.323 1.00 0.00 C ATOM 937 OG SER A 87 -0.927 1.525 8.892 1.00 0.00 O ATOM 0 H SER A 87 0.256 4.759 6.862 1.00 0.00 H new ATOM 0 HA SER A 87 -0.752 2.038 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.816 2.426 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.373 3.507 8.966 1.00 0.00 H new ATOM 0 HG SER A 87 -0.564 1.344 9.784 1.00 0.00 H new ATOM 943 N LEU A 88 -3.114 2.589 6.433 1.00 0.00 N ATOM 944 CA LEU A 88 -4.537 2.870 6.400 1.00 0.00 C ATOM 945 C LEU A 88 -5.269 1.829 7.228 1.00 0.00 C ATOM 946 O LEU A 88 -4.743 0.741 7.466 1.00 0.00 O ATOM 947 CB LEU A 88 -5.077 2.851 4.963 1.00 0.00 C ATOM 948 CG LEU A 88 -4.417 3.828 3.982 1.00 0.00 C ATOM 949 CD1 LEU A 88 -3.131 3.250 3.406 1.00 0.00 C ATOM 950 CD2 LEU A 88 -5.383 4.190 2.866 1.00 0.00 C ATOM 0 H LEU A 88 -2.855 1.711 5.982 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.701 3.866 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.967 1.841 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.145 3.066 4.995 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.159 4.733 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.688 3.967 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.430 3.045 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.354 2.324 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.900 4.884 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.672 3.287 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.271 4.659 3.291 1.00 0.00 H new ATOM 962 N THR A 89 -6.467 2.150 7.678 1.00 0.00 N ATOM 963 CA THR A 89 -7.253 1.209 8.452 1.00 0.00 C ATOM 964 C THR A 89 -8.743 1.357 8.137 1.00 0.00 C ATOM 965 O THR A 89 -9.221 2.460 7.857 1.00 0.00 O ATOM 966 CB THR A 89 -7.009 1.400 9.968 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.597 1.462 10.230 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.612 0.260 10.779 1.00 0.00 C ATOM 0 H THR A 89 -6.916 3.052 7.521 1.00 0.00 H new ATOM 0 HA THR A 89 -6.936 0.204 8.174 1.00 0.00 H new ATOM 0 HB THR A 89 -7.491 2.331 10.266 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.448 1.585 11.191 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.421 0.427 11.839 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.687 0.219 10.606 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.159 -0.683 10.473 1.00 0.00 H new ATOM 976 N GLY A 90 -9.446 0.229 8.176 1.00 0.00 N ATOM 977 CA GLY A 90 -10.891 0.207 8.003 1.00 0.00 C ATOM 978 C GLY A 90 -11.401 0.911 6.759 1.00 0.00 C ATOM 979 O GLY A 90 -12.332 1.711 6.840 1.00 0.00 O ATOM 0 H GLY A 90 -9.031 -0.690 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.222 -0.831 7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.353 0.666 8.877 1.00 0.00 H new ATOM 983 N GLN A 91 -10.804 0.635 5.612 1.00 0.00 N ATOM 984 CA GLN A 91 -11.267 1.247 4.373 1.00 0.00 C ATOM 985 C GLN A 91 -12.617 0.632 3.989 1.00 0.00 C ATOM 986 O GLN A 91 -12.716 -0.576 3.799 1.00 0.00 O ATOM 987 CB GLN A 91 -10.227 1.010 3.267 1.00 0.00 C ATOM 988 CG GLN A 91 -10.052 2.163 2.286 1.00 0.00 C ATOM 989 CD GLN A 91 -11.202 2.313 1.306 1.00 0.00 C ATOM 990 OE1 GLN A 91 -12.178 3.130 1.652 1.00 0.00 O flip ATOM 991 NE2 GLN A 91 -11.201 1.712 0.234 1.00 0.00 N flip ATOM 0 H GLN A 91 -10.011 0.002 5.510 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.392 2.322 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.264 0.801 3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.510 0.118 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.941 3.091 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.128 2.016 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.429 1.088 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.972 1.837 -0.422 1.00 0.00 H new ATOM 1000 N GLU A 92 -13.634 1.477 3.841 1.00 0.00 N ATOM 1001 CA GLU A 92 -15.012 1.036 3.577 1.00 0.00 C ATOM 1002 C GLU A 92 -15.427 -0.166 4.436 1.00 0.00 C ATOM 1003 O GLU A 92 -15.498 -0.078 5.664 1.00 0.00 O ATOM 1004 CB GLU A 92 -15.224 0.718 2.093 1.00 0.00 C ATOM 1005 CG GLU A 92 -15.335 1.948 1.219 1.00 0.00 C ATOM 1006 CD GLU A 92 -15.835 1.639 -0.174 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -16.909 1.010 -0.297 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -15.175 2.049 -1.147 1.00 0.00 O ATOM 0 H GLU A 92 -13.532 2.490 3.900 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.652 1.873 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.395 0.105 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -16.130 0.122 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.009 2.663 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.359 2.428 1.151 1.00 0.00 H new ATOM 1015 N SER A 93 -15.684 -1.287 3.771 1.00 0.00 N ATOM 1016 CA SER A 93 -16.157 -2.502 4.422 1.00 0.00 C ATOM 1017 C SER A 93 -15.038 -3.192 5.197 1.00 0.00 C ATOM 1018 O SER A 93 -15.288 -4.071 6.020 1.00 0.00 O ATOM 1019 CB SER A 93 -16.702 -3.457 3.363 1.00 0.00 C ATOM 1020 OG SER A 93 -17.529 -2.769 2.440 1.00 0.00 O ATOM 0 H SER A 93 -15.570 -1.378 2.762 1.00 0.00 H new ATOM 0 HA SER A 93 -16.940 -2.229 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.875 -3.930 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.270 -4.253 3.843 1.00 0.00 H new ATOM 0 HG SER A 93 -17.866 -3.399 1.770 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.810 -2.773 4.939 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.631 -3.450 5.454 1.00 0.00 C ATOM 1028 C LEU A 94 -12.292 -2.968 6.859 1.00 0.00 C ATOM 1029 O LEU A 94 -11.127 -2.762 7.191 1.00 0.00 O ATOM 1030 CB LEU A 94 -11.441 -3.222 4.522 1.00 0.00 C ATOM 1031 CG LEU A 94 -11.685 -3.561 3.048 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -10.451 -3.246 2.226 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -12.078 -5.020 2.878 1.00 0.00 C ATOM 0 H LEU A 94 -13.602 -1.954 4.367 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.849 -4.517 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.142 -2.176 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.602 -3.818 4.880 1.00 0.00 H new ATOM 0 HG LEU A 94 -12.512 -2.947 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.638 -3.492 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.217 -2.185 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.610 -3.835 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -12.245 -5.231 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.278 -5.658 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.993 -5.218 3.436 1.00 0.00 H new ATOM 1045 N ASN A 95 -13.317 -2.736 7.663 1.00 0.00 N ATOM 1046 CA ASN A 95 -13.126 -2.346 9.053 1.00 0.00 C ATOM 1047 C ASN A 95 -12.249 -3.379 9.764 1.00 0.00 C ATOM 1048 O ASN A 95 -12.373 -4.582 9.528 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.480 -2.182 9.764 1.00 0.00 C ATOM 1050 CG ASN A 95 -15.164 -3.498 10.088 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -14.985 -4.050 11.174 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -15.957 -4.005 9.157 1.00 0.00 N ATOM 0 H ASN A 95 -14.293 -2.811 7.377 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.620 -1.381 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.330 -1.624 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -15.140 -1.585 9.135 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -16.446 -4.884 9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.079 -3.517 8.270 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.338 -2.902 10.598 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.386 -3.786 11.254 1.00 0.00 C ATOM 1061 C GLY A 96 -9.187 -4.118 10.382 1.00 0.00 C ATOM 1062 O GLY A 96 -8.121 -4.470 10.887 1.00 0.00 O ATOM 0 H GLY A 96 -11.237 -1.915 10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.040 -3.318 12.176 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.891 -4.710 11.535 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.359 -4.014 9.071 1.00 0.00 N ATOM 1067 CA LEU A 97 -8.290 -4.314 8.134 1.00 0.00 C ATOM 1068 C LEU A 97 -7.343 -3.131 8.039 1.00 0.00 C ATOM 1069 O LEU A 97 -7.773 -1.985 7.911 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.880 -4.665 6.759 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.884 -5.092 5.671 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.578 -5.970 4.643 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -7.285 -3.882 4.972 1.00 0.00 C ATOM 0 H LEU A 97 -10.233 -3.723 8.633 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.725 -5.176 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.603 -5.470 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.432 -3.799 6.394 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.082 -5.651 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.863 -6.267 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.975 -6.859 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.395 -5.414 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.584 -4.214 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.080 -3.300 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.761 -3.263 5.701 1.00 0.00 H new ATOM 1085 N SER A 98 -6.060 -3.412 8.126 1.00 0.00 N ATOM 1086 CA SER A 98 -5.051 -2.381 8.028 1.00 0.00 C ATOM 1087 C SER A 98 -4.206 -2.590 6.779 1.00 0.00 C ATOM 1088 O SER A 98 -3.764 -3.703 6.498 1.00 0.00 O ATOM 1089 CB SER A 98 -4.172 -2.401 9.276 1.00 0.00 C ATOM 1090 OG SER A 98 -4.969 -2.435 10.445 1.00 0.00 O ATOM 0 H SER A 98 -5.690 -4.352 8.265 1.00 0.00 H new ATOM 0 HA SER A 98 -5.539 -1.409 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.515 -3.271 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.532 -1.519 9.291 1.00 0.00 H new ATOM 0 HG SER A 98 -4.390 -2.449 11.235 1.00 0.00 H new ATOM 1096 N VAL A 99 -4.006 -1.524 6.025 1.00 0.00 N ATOM 1097 CA VAL A 99 -3.167 -1.576 4.843 1.00 0.00 C ATOM 1098 C VAL A 99 -1.876 -0.836 5.132 1.00 0.00 C ATOM 1099 O VAL A 99 -1.908 0.316 5.562 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.844 -0.930 3.614 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -3.015 -1.151 2.359 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -5.255 -1.462 3.424 1.00 0.00 C ATOM 0 H VAL A 99 -4.415 -0.609 6.212 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.983 -2.625 4.609 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.909 0.143 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.513 -0.687 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.029 -0.705 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.908 -2.220 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.707 -0.990 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.220 -2.541 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.851 -1.237 4.308 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.746 -1.479 4.918 1.00 0.00 N ATOM 1113 CA VAL A 100 0.529 -0.841 5.163 1.00 0.00 C ATOM 1114 C VAL A 100 1.337 -0.826 3.881 1.00 0.00 C ATOM 1115 O VAL A 100 1.838 -1.857 3.435 1.00 0.00 O ATOM 1116 CB VAL A 100 1.335 -1.540 6.279 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.660 -0.826 6.516 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.525 -1.601 7.565 1.00 0.00 C ATOM 0 H VAL A 100 -0.685 -2.438 4.577 1.00 0.00 H new ATOM 0 HA VAL A 100 0.329 0.176 5.500 1.00 0.00 H new ATOM 0 HB VAL A 100 1.549 -2.559 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.212 -1.335 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.248 -0.836 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.470 0.205 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.109 -2.097 8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.278 -0.590 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.394 -2.160 7.390 1.00 0.00 H new ATOM 1128 N MET A 101 1.426 0.337 3.270 1.00 0.00 N ATOM 1129 CA MET A 101 2.187 0.476 2.047 1.00 0.00 C ATOM 1130 C MET A 101 3.534 1.108 2.341 1.00 0.00 C ATOM 1131 O MET A 101 3.609 2.254 2.783 1.00 0.00 O ATOM 1132 CB MET A 101 1.431 1.295 1.004 1.00 0.00 C ATOM 1133 CG MET A 101 2.113 1.290 -0.350 1.00 0.00 C ATOM 1134 SD MET A 101 1.250 2.293 -1.571 1.00 0.00 S ATOM 1135 CE MET A 101 -0.376 1.543 -1.563 1.00 0.00 C ATOM 0 H MET A 101 0.983 1.195 3.598 1.00 0.00 H new ATOM 0 HA MET A 101 2.342 -0.521 1.633 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.421 0.899 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.335 2.323 1.354 1.00 0.00 H new ATOM 0 HG2 MET A 101 3.133 1.659 -0.239 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.182 0.264 -0.713 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.801 1.585 -2.566 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.296 0.503 -1.246 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.023 2.084 -0.872 1.00 0.00 H new ATOM 1145 N THR A 102 4.588 0.341 2.125 1.00 0.00 N ATOM 1146 CA THR A 102 5.944 0.811 2.323 1.00 0.00 C ATOM 1147 C THR A 102 6.632 1.024 0.972 1.00 0.00 C ATOM 1148 O THR A 102 7.166 0.082 0.382 1.00 0.00 O ATOM 1149 CB THR A 102 6.754 -0.198 3.164 1.00 0.00 C ATOM 1150 OG1 THR A 102 5.989 -0.594 4.313 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.079 0.397 3.619 1.00 0.00 C ATOM 0 H THR A 102 4.526 -0.626 1.807 1.00 0.00 H new ATOM 0 HA THR A 102 5.901 1.759 2.859 1.00 0.00 H new ATOM 0 HB THR A 102 6.965 -1.066 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.505 -1.236 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.625 -0.339 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.671 0.675 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.891 1.282 4.227 1.00 0.00 H new ATOM 1159 N PRO A 103 6.576 2.253 0.440 1.00 0.00 N ATOM 1160 CA PRO A 103 7.264 2.606 -0.800 1.00 0.00 C ATOM 1161 C PRO A 103 8.778 2.541 -0.642 1.00 0.00 C ATOM 1162 O PRO A 103 9.313 2.827 0.430 1.00 0.00 O ATOM 1163 CB PRO A 103 6.828 4.052 -1.076 1.00 0.00 C ATOM 1164 CG PRO A 103 5.651 4.292 -0.192 1.00 0.00 C ATOM 1165 CD PRO A 103 5.825 3.386 0.993 1.00 0.00 C ATOM 0 HA PRO A 103 7.014 1.918 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.633 4.753 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.565 4.189 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.605 5.336 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 103 4.720 4.074 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.371 3.877 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 103 4.866 3.071 1.404 1.00 0.00 H new ATOM 1173 N GLY A 104 9.460 2.147 -1.703 1.00 0.00 N ATOM 1174 CA GLY A 104 10.902 2.125 -1.689 1.00 0.00 C ATOM 1175 C GLY A 104 11.459 0.811 -1.192 1.00 0.00 C ATOM 1176 O GLY A 104 11.781 0.672 -0.011 1.00 0.00 O ATOM 0 H GLY A 104 9.036 1.840 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.274 2.316 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.268 2.933 -1.056 1.00 0.00 H new ATOM 1180 N TRP A 105 11.571 -0.160 -2.087 1.00 0.00 N ATOM 1181 CA TRP A 105 12.166 -1.439 -1.735 1.00 0.00 C ATOM 1182 C TRP A 105 13.681 -1.281 -1.680 1.00 0.00 C ATOM 1183 O TRP A 105 14.367 -1.971 -0.928 1.00 0.00 O ATOM 1184 CB TRP A 105 11.766 -2.516 -2.746 1.00 0.00 C ATOM 1185 CG TRP A 105 11.973 -3.914 -2.243 1.00 0.00 C ATOM 1186 CD1 TRP A 105 11.156 -4.602 -1.393 1.00 0.00 C ATOM 1187 CD2 TRP A 105 13.059 -4.792 -2.556 1.00 0.00 C ATOM 1188 NE1 TRP A 105 11.664 -5.856 -1.161 1.00 0.00 N ATOM 1189 CE2 TRP A 105 12.832 -5.997 -1.863 1.00 0.00 C ATOM 1190 CE3 TRP A 105 14.200 -4.681 -3.354 1.00 0.00 C ATOM 1191 CZ2 TRP A 105 13.702 -7.079 -1.945 1.00 0.00 C ATOM 1192 CZ3 TRP A 105 15.064 -5.756 -3.435 1.00 0.00 C ATOM 1193 CH2 TRP A 105 14.812 -6.942 -2.735 1.00 0.00 C ATOM 0 H TRP A 105 11.260 -0.087 -3.056 1.00 0.00 H new ATOM 0 HA TRP A 105 11.801 -1.754 -0.757 1.00 0.00 H new ATOM 0 HB2 TRP A 105 10.716 -2.385 -3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 105 12.343 -2.378 -3.660 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.243 -4.216 -0.965 1.00 0.00 H new ATOM 0 HE1 TRP A 105 11.241 -6.566 -0.564 1.00 0.00 H new ATOM 0 HE3 TRP A 105 14.403 -3.771 -3.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.509 -7.994 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 15.949 -5.680 -4.049 1.00 0.00 H new ATOM 0 HH2 TRP A 105 15.507 -7.765 -2.820 1.00 0.00 H new ATOM 1204 N ASP A 106 14.185 -0.353 -2.483 1.00 0.00 N ATOM 1205 CA ASP A 106 15.591 0.020 -2.452 1.00 0.00 C ATOM 1206 C ASP A 106 15.721 1.391 -1.806 1.00 0.00 C ATOM 1207 O ASP A 106 15.515 2.413 -2.457 1.00 0.00 O ATOM 1208 CB ASP A 106 16.182 0.057 -3.866 1.00 0.00 C ATOM 1209 CG ASP A 106 16.118 -1.283 -4.569 1.00 0.00 C ATOM 1210 OD1 ASP A 106 17.079 -2.076 -4.447 1.00 0.00 O ATOM 1211 OD2 ASP A 106 15.107 -1.548 -5.258 1.00 0.00 O ATOM 0 H ASP A 106 13.633 0.160 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 106 16.141 -0.723 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.646 0.798 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.221 0.383 -3.811 1.00 0.00 H new ATOM 1216 N ASN A 107 16.063 1.400 -0.527 1.00 0.00 N ATOM 1217 CA ASN A 107 16.074 2.621 0.283 1.00 0.00 C ATOM 1218 C ASN A 107 16.948 3.725 -0.315 1.00 0.00 C ATOM 1219 O ASN A 107 16.611 4.906 -0.224 1.00 0.00 O ATOM 1220 CB ASN A 107 16.534 2.290 1.711 1.00 0.00 C ATOM 1221 CG ASN A 107 16.905 3.519 2.521 1.00 0.00 C ATOM 1222 OD1 ASN A 107 18.077 3.897 2.592 1.00 0.00 O ATOM 1223 ND2 ASN A 107 15.918 4.152 3.134 1.00 0.00 N ATOM 0 H ASN A 107 16.342 0.563 -0.015 1.00 0.00 H new ATOM 0 HA ASN A 107 15.055 3.007 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.739 1.750 2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.394 1.622 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.114 4.985 3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.962 3.808 3.051 1.00 0.00 H new ATOM 1230 N ALA A 108 18.051 3.343 -0.939 1.00 0.00 N ATOM 1231 CA ALA A 108 19.002 4.314 -1.464 1.00 0.00 C ATOM 1232 C ALA A 108 18.511 4.949 -2.764 1.00 0.00 C ATOM 1233 O ALA A 108 18.965 6.032 -3.145 1.00 0.00 O ATOM 1234 CB ALA A 108 20.359 3.660 -1.664 1.00 0.00 C ATOM 0 H ALA A 108 18.311 2.369 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 108 19.097 5.116 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 108 21.062 4.394 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 108 20.725 3.281 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 108 20.265 2.835 -2.370 1.00 0.00 H new ATOM 1240 N ASN A 109 17.590 4.280 -3.448 1.00 0.00 N ATOM 1241 CA ASN A 109 17.051 4.794 -4.705 1.00 0.00 C ATOM 1242 C ASN A 109 15.593 5.215 -4.527 1.00 0.00 C ATOM 1243 O ASN A 109 14.826 5.291 -5.487 1.00 0.00 O ATOM 1244 CB ASN A 109 17.185 3.762 -5.831 1.00 0.00 C ATOM 1245 CG ASN A 109 17.059 4.386 -7.213 1.00 0.00 C ATOM 1246 OD1 ASN A 109 17.530 5.616 -7.361 1.00 0.00 O flip ATOM 1247 ND2 ASN A 109 16.554 3.766 -8.150 1.00 0.00 N flip ATOM 0 H ASN A 109 17.201 3.383 -3.156 1.00 0.00 H new ATOM 0 HA ASN A 109 17.633 5.671 -4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 109 18.150 3.262 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.419 2.996 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 109 16.200 2.820 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 109 16.489 4.198 -9.072 1.00 0.00 H new ATOM 1254 N GLY A 110 15.231 5.480 -3.281 1.00 0.00 N ATOM 1255 CA GLY A 110 13.873 5.874 -2.946 1.00 0.00 C ATOM 1256 C GLY A 110 12.814 4.889 -3.411 1.00 0.00 C ATOM 1257 O GLY A 110 12.899 3.693 -3.140 1.00 0.00 O ATOM 0 H GLY A 110 15.863 5.429 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.796 5.992 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.668 6.849 -3.389 1.00 0.00 H new ATOM 1261 N VAL A 111 11.820 5.398 -4.135 1.00 0.00 N ATOM 1262 CA VAL A 111 10.648 4.608 -4.507 1.00 0.00 C ATOM 1263 C VAL A 111 10.886 3.744 -5.751 1.00 0.00 C ATOM 1264 O VAL A 111 10.363 4.023 -6.831 1.00 0.00 O ATOM 1265 CB VAL A 111 9.407 5.504 -4.729 1.00 0.00 C ATOM 1266 CG1 VAL A 111 8.871 6.002 -3.397 1.00 0.00 C ATOM 1267 CG2 VAL A 111 9.734 6.683 -5.635 1.00 0.00 C ATOM 0 H VAL A 111 11.803 6.359 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 111 10.462 3.940 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 111 8.642 4.902 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.998 6.631 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.589 5.151 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.642 6.581 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.842 7.294 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.520 7.285 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 111 10.074 6.315 -6.603 1.00 0.00 H new ATOM 1277 N THR A 112 11.669 2.685 -5.591 1.00 0.00 N ATOM 1278 CA THR A 112 11.868 1.719 -6.662 1.00 0.00 C ATOM 1279 C THR A 112 10.680 0.766 -6.769 1.00 0.00 C ATOM 1280 O THR A 112 10.502 0.079 -7.776 1.00 0.00 O ATOM 1281 CB THR A 112 13.151 0.901 -6.440 1.00 0.00 C ATOM 1282 OG1 THR A 112 13.139 0.309 -5.131 1.00 0.00 O ATOM 1283 CG2 THR A 112 14.380 1.779 -6.594 1.00 0.00 C ATOM 0 H THR A 112 12.176 2.474 -4.731 1.00 0.00 H new ATOM 0 HA THR A 112 11.960 2.283 -7.590 1.00 0.00 H new ATOM 0 HB THR A 112 13.189 0.112 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 112 13.805 -0.408 -5.090 1.00 0.00 H new ATOM 0 HG21 THR A 112 15.277 1.181 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 112 14.401 2.202 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 112 14.345 2.585 -5.861 1.00 0.00 H new ATOM 1291 N GLY A 113 9.862 0.740 -5.725 1.00 0.00 N ATOM 1292 CA GLY A 113 8.714 -0.138 -5.695 1.00 0.00 C ATOM 1293 C GLY A 113 7.833 0.142 -4.498 1.00 0.00 C ATOM 1294 O GLY A 113 8.112 1.064 -3.729 1.00 0.00 O ATOM 0 H GLY A 113 9.977 1.318 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.136 -0.014 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.048 -1.175 -5.667 1.00 0.00 H new ATOM 1298 N TRP A 114 6.779 -0.641 -4.333 1.00 0.00 N ATOM 1299 CA TRP A 114 5.856 -0.456 -3.224 1.00 0.00 C ATOM 1300 C TRP A 114 5.561 -1.786 -2.548 1.00 0.00 C ATOM 1301 O TRP A 114 5.099 -2.731 -3.192 1.00 0.00 O ATOM 1302 CB TRP A 114 4.539 0.168 -3.711 1.00 0.00 C ATOM 1303 CG TRP A 114 4.674 1.583 -4.192 1.00 0.00 C ATOM 1304 CD1 TRP A 114 4.453 2.715 -3.467 1.00 0.00 C ATOM 1305 CD2 TRP A 114 5.051 2.014 -5.507 1.00 0.00 C ATOM 1306 NE1 TRP A 114 4.676 3.827 -4.244 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.042 3.422 -5.501 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.397 1.347 -6.685 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.369 4.172 -6.627 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 5.718 2.093 -7.802 1.00 0.00 C ATOM 1311 CH2 TRP A 114 5.703 3.494 -7.766 1.00 0.00 C ATOM 0 H TRP A 114 6.541 -1.413 -4.955 1.00 0.00 H new ATOM 0 HA TRP A 114 6.327 0.217 -2.507 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.137 -0.443 -4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 114 3.813 0.139 -2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 114 4.147 2.736 -2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.584 4.795 -3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.413 0.268 -6.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.359 5.252 -6.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.985 1.588 -8.719 1.00 0.00 H new ATOM 0 HH2 TRP A 114 5.960 4.049 -8.656 1.00 0.00 H new ATOM 1322 N ALA A 115 5.827 -1.864 -1.253 1.00 0.00 N ATOM 1323 CA ALA A 115 5.452 -3.032 -0.480 1.00 0.00 C ATOM 1324 C ALA A 115 4.061 -2.825 0.091 1.00 0.00 C ATOM 1325 O ALA A 115 3.848 -1.947 0.924 1.00 0.00 O ATOM 1326 CB ALA A 115 6.456 -3.292 0.631 1.00 0.00 C ATOM 0 H ALA A 115 6.299 -1.134 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 115 5.449 -3.906 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.153 -4.173 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.442 -3.460 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.494 -2.429 1.296 1.00 0.00 H new ATOM 1332 N ARG A 116 3.117 -3.610 -0.379 1.00 0.00 N ATOM 1333 CA ARG A 116 1.730 -3.438 0.014 1.00 0.00 C ATOM 1334 C ARG A 116 1.278 -4.588 0.901 1.00 0.00 C ATOM 1335 O ARG A 116 1.346 -5.753 0.510 1.00 0.00 O ATOM 1336 CB ARG A 116 0.851 -3.325 -1.230 1.00 0.00 C ATOM 1337 CG ARG A 116 1.278 -2.205 -2.168 1.00 0.00 C ATOM 1338 CD ARG A 116 0.463 -2.184 -3.452 1.00 0.00 C ATOM 1339 NE ARG A 116 0.633 -3.406 -4.242 1.00 0.00 N ATOM 1340 CZ ARG A 116 0.698 -3.428 -5.578 1.00 0.00 C ATOM 1341 NH1 ARG A 116 0.673 -2.296 -6.273 1.00 0.00 N ATOM 1342 NH2 ARG A 116 0.807 -4.586 -6.213 1.00 0.00 N ATOM 0 H ARG A 116 3.281 -4.375 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 116 1.635 -2.518 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.875 -4.271 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.182 -3.159 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 116 1.173 -1.247 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.334 -2.322 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.592 -2.057 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.758 -1.323 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 116 0.706 -4.293 -3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 116 0.604 -1.401 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 116 0.723 -2.322 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.841 -5.457 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.857 -4.606 -7.232 1.00 0.00 H new ATOM 1356 N ASN A 117 0.847 -4.254 2.107 1.00 0.00 N ATOM 1357 CA ASN A 117 0.443 -5.250 3.089 1.00 0.00 C ATOM 1358 C ASN A 117 -1.020 -5.069 3.461 1.00 0.00 C ATOM 1359 O ASN A 117 -1.413 -4.005 3.933 1.00 0.00 O ATOM 1360 CB ASN A 117 1.280 -5.127 4.373 1.00 0.00 C ATOM 1361 CG ASN A 117 2.762 -5.402 4.186 1.00 0.00 C ATOM 1362 OD1 ASN A 117 3.327 -5.200 3.114 1.00 0.00 O ATOM 1363 ND2 ASN A 117 3.411 -5.857 5.248 1.00 0.00 N ATOM 0 H ASN A 117 0.767 -3.291 2.432 1.00 0.00 H new ATOM 0 HA ASN A 117 0.599 -6.231 2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.158 -4.122 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.886 -5.819 5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.411 -6.051 5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.911 -6.014 6.123 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.825 -6.095 3.244 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.195 -6.093 3.739 1.00 0.00 C ATOM 1372 C CYS A 118 -3.290 -6.988 4.965 1.00 0.00 C ATOM 1373 O CYS A 118 -3.059 -8.195 4.880 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.165 -6.571 2.657 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.201 -5.511 1.179 1.00 0.00 S ATOM 0 H CYS A 118 -1.558 -6.936 2.732 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.470 -5.074 4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.892 -7.583 2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.168 -6.623 3.080 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.611 -6.396 6.107 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.643 -7.137 7.360 1.00 0.00 C ATOM 1382 C ASN A 119 -5.040 -7.115 7.967 1.00 0.00 C ATOM 1383 O ASN A 119 -5.478 -6.101 8.514 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.626 -6.526 8.335 1.00 0.00 C ATOM 1385 CG ASN A 119 -2.401 -7.354 9.592 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -3.295 -8.046 10.085 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -1.188 -7.288 10.121 1.00 0.00 N ATOM 0 H ASN A 119 -3.852 -5.409 6.192 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.380 -8.177 7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -1.674 -6.400 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.966 -5.531 8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.969 -7.820 10.963 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.473 -6.705 9.686 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.738 -8.233 7.847 1.00 0.00 N ATOM 1395 CA ILE A 120 -7.026 -8.418 8.493 1.00 0.00 C ATOM 1396 C ILE A 120 -7.070 -9.812 9.132 1.00 0.00 C ATOM 1397 O ILE A 120 -7.274 -10.821 8.453 1.00 0.00 O ATOM 1398 CB ILE A 120 -8.189 -8.212 7.491 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.548 -8.497 8.137 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -8.000 -9.061 6.245 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.986 -7.459 9.147 1.00 0.00 C ATOM 0 H ILE A 120 -5.428 -9.036 7.300 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.150 -7.668 9.274 1.00 0.00 H new ATOM 0 HB ILE A 120 -8.175 -7.163 7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.303 -8.566 7.353 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.508 -9.470 8.627 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.832 -8.894 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.067 -8.785 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.965 -10.114 6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.957 -7.737 9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -9.255 -7.405 9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -10.062 -6.487 8.660 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.864 -9.870 10.438 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.608 -11.145 11.105 1.00 0.00 C ATOM 1415 C GLN A 121 -7.861 -12.014 11.221 1.00 0.00 C ATOM 1416 O GLN A 121 -7.787 -13.232 11.070 1.00 0.00 O ATOM 1417 CB GLN A 121 -5.990 -10.916 12.490 1.00 0.00 C ATOM 1418 CG GLN A 121 -6.832 -10.051 13.413 1.00 0.00 C ATOM 1419 CD GLN A 121 -6.225 -9.920 14.795 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -6.519 -10.710 15.691 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -5.371 -8.926 14.972 1.00 0.00 N ATOM 0 H GLN A 121 -6.868 -9.059 11.056 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.900 -11.688 10.479 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -5.825 -11.883 12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.012 -10.451 12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.946 -9.060 12.974 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.831 -10.479 13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.156 -8.294 14.200 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.927 -8.791 15.880 1.00 0.00 H new ATOM 1430 N SER A 122 -9.003 -11.399 11.483 1.00 0.00 N ATOM 1431 CA SER A 122 -10.212 -12.156 11.782 1.00 0.00 C ATOM 1432 C SER A 122 -11.025 -12.490 10.526 1.00 0.00 C ATOM 1433 O SER A 122 -11.782 -13.461 10.519 1.00 0.00 O ATOM 1434 CB SER A 122 -11.077 -11.377 12.780 1.00 0.00 C ATOM 1435 OG SER A 122 -12.168 -12.155 13.240 1.00 0.00 O ATOM 0 H SER A 122 -9.120 -10.386 11.495 1.00 0.00 H new ATOM 0 HA SER A 122 -9.902 -13.105 12.220 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.466 -11.068 13.628 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.450 -10.468 12.308 1.00 0.00 H new ATOM 0 HG SER A 122 -12.699 -11.631 13.875 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.857 -11.718 9.461 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.721 -11.867 8.288 1.00 0.00 C ATOM 1443 C ASP A 123 -10.927 -11.923 6.989 1.00 0.00 C ATOM 1444 O ASP A 123 -10.636 -10.892 6.379 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.745 -10.729 8.216 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.814 -10.836 9.282 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -13.743 -10.097 10.281 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -14.735 -11.660 9.122 1.00 0.00 O ATOM 0 H ASP A 123 -10.144 -10.993 9.380 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.242 -12.817 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.229 -9.774 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.216 -10.732 7.233 1.00 0.00 H new ATOM 1453 N SER A 124 -10.594 -13.132 6.559 1.00 0.00 N ATOM 1454 CA SER A 124 -9.870 -13.341 5.311 1.00 0.00 C ATOM 1455 C SER A 124 -10.662 -12.827 4.103 1.00 0.00 C ATOM 1456 O SER A 124 -10.079 -12.432 3.095 1.00 0.00 O ATOM 1457 CB SER A 124 -9.551 -14.826 5.145 1.00 0.00 C ATOM 1458 OG SER A 124 -8.870 -15.324 6.284 1.00 0.00 O ATOM 0 H SER A 124 -10.816 -13.992 7.061 1.00 0.00 H new ATOM 0 HA SER A 124 -8.942 -12.772 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.474 -15.386 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.938 -14.974 4.256 1.00 0.00 H new ATOM 0 HG SER A 124 -8.676 -16.276 6.159 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.990 -12.815 4.212 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.847 -12.357 3.122 1.00 0.00 C ATOM 1466 C ALA A 125 -12.589 -10.892 2.792 1.00 0.00 C ATOM 1467 O ALA A 125 -12.659 -10.479 1.632 1.00 0.00 O ATOM 1468 CB ALA A 125 -14.310 -12.564 3.474 1.00 0.00 C ATOM 0 H ALA A 125 -12.495 -13.118 5.045 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.607 -12.950 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.935 -12.217 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -14.496 -13.624 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.551 -12.000 4.375 1.00 0.00 H new ATOM 1474 N LEU A 126 -12.281 -10.107 3.815 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.965 -8.702 3.627 1.00 0.00 C ATOM 1476 C LEU A 126 -10.614 -8.564 2.938 1.00 0.00 C ATOM 1477 O LEU A 126 -10.397 -7.650 2.140 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.954 -7.967 4.969 1.00 0.00 C ATOM 1479 CG LEU A 126 -13.284 -7.976 5.733 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -13.165 -7.184 7.024 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -14.412 -7.419 4.872 1.00 0.00 C ATOM 0 H LEU A 126 -12.244 -10.422 4.784 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.733 -8.252 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.187 -8.413 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.661 -6.932 4.795 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.522 -9.011 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.119 -7.202 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.394 -7.628 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.897 -6.153 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -15.344 -7.437 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -14.180 -6.393 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.520 -8.029 3.975 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.717 -9.498 3.229 1.00 0.00 N ATOM 1494 CA GLN A 127 -8.402 -9.514 2.609 1.00 0.00 C ATOM 1495 C GLN A 127 -8.519 -9.725 1.113 1.00 0.00 C ATOM 1496 O GLN A 127 -7.779 -9.131 0.345 1.00 0.00 O ATOM 1497 CB GLN A 127 -7.525 -10.612 3.209 1.00 0.00 C ATOM 1498 CG GLN A 127 -6.159 -10.722 2.549 1.00 0.00 C ATOM 1499 CD GLN A 127 -5.256 -11.727 3.233 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -5.839 -12.800 3.743 1.00 0.00 O flip ATOM 1501 NE2 GLN A 127 -4.042 -11.548 3.287 1.00 0.00 N flip ATOM 0 H GLN A 127 -9.879 -10.255 3.893 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.937 -8.547 2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.392 -10.419 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -8.041 -11.568 3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -6.287 -11.007 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.677 -9.744 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.632 -10.707 2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.444 -12.241 3.738 1.00 0.00 H new ATOM 1510 N GLN A 128 -9.470 -10.557 0.710 1.00 0.00 N ATOM 1511 CA GLN A 128 -9.657 -10.891 -0.699 1.00 0.00 C ATOM 1512 C GLN A 128 -9.824 -9.633 -1.550 1.00 0.00 C ATOM 1513 O GLN A 128 -9.361 -9.575 -2.686 1.00 0.00 O ATOM 1514 CB GLN A 128 -10.877 -11.795 -0.873 1.00 0.00 C ATOM 1515 CG GLN A 128 -10.793 -13.093 -0.089 1.00 0.00 C ATOM 1516 CD GLN A 128 -11.999 -13.988 -0.297 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -12.417 -14.703 0.613 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -12.552 -13.978 -1.498 1.00 0.00 N ATOM 0 H GLN A 128 -10.127 -11.016 1.341 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.765 -11.418 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -11.769 -11.250 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -10.998 -12.027 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -9.892 -13.632 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -10.695 -12.865 0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -12.177 -13.371 -2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -13.354 -14.577 -1.695 1.00 0.00 H new ATOM 1527 N ALA A 129 -10.490 -8.632 -0.995 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.679 -7.369 -1.691 1.00 0.00 C ATOM 1529 C ALA A 129 -9.398 -6.545 -1.695 1.00 0.00 C ATOM 1530 O ALA A 129 -8.984 -6.027 -2.731 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.814 -6.587 -1.058 1.00 0.00 C ATOM 0 H ALA A 129 -10.908 -8.670 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.937 -7.587 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.946 -5.644 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.734 -7.168 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.579 -6.386 -0.013 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.770 -6.439 -0.532 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.578 -5.615 -0.375 1.00 0.00 C ATOM 1539 C CYS A 130 -6.389 -6.232 -1.096 1.00 0.00 C ATOM 1540 O CYS A 130 -5.743 -5.581 -1.913 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.256 -5.433 1.111 1.00 0.00 C ATOM 1542 SG CYS A 130 -5.837 -4.337 1.452 1.00 0.00 S ATOM 0 H CYS A 130 -9.067 -6.915 0.320 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.777 -4.640 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.136 -5.033 1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -7.056 -6.411 1.548 1.00 0.00 H new ATOM 1547 N GLU A 131 -6.132 -7.503 -0.806 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.997 -8.225 -1.362 1.00 0.00 C ATOM 1549 C GLU A 131 -5.097 -8.289 -2.875 1.00 0.00 C ATOM 1550 O GLU A 131 -4.099 -8.433 -3.562 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.928 -9.642 -0.783 1.00 0.00 C ATOM 1552 CG GLU A 131 -3.684 -10.413 -1.200 1.00 0.00 C ATOM 1553 CD GLU A 131 -3.783 -11.890 -0.889 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -4.446 -12.618 -1.657 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -3.189 -12.338 0.111 1.00 0.00 O ATOM 0 H GLU A 131 -6.708 -8.062 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 131 -4.087 -7.690 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.960 -9.582 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -5.811 -10.197 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.521 -10.281 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -2.815 -9.996 -0.691 1.00 0.00 H new ATOM 1562 N ASP A 132 -6.311 -8.209 -3.390 1.00 0.00 N ATOM 1563 CA ASP A 132 -6.515 -8.220 -4.830 1.00 0.00 C ATOM 1564 C ASP A 132 -5.810 -7.036 -5.481 1.00 0.00 C ATOM 1565 O ASP A 132 -5.031 -7.202 -6.421 1.00 0.00 O ATOM 1566 CB ASP A 132 -8.006 -8.169 -5.162 1.00 0.00 C ATOM 1567 CG ASP A 132 -8.279 -8.360 -6.640 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -8.051 -7.418 -7.426 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -8.740 -9.459 -7.015 1.00 0.00 O ATOM 0 H ASP A 132 -7.166 -8.136 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 132 -6.093 -9.146 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.527 -8.942 -4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.414 -7.210 -4.842 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.081 -5.844 -4.966 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.508 -4.623 -5.515 1.00 0.00 C ATOM 1576 C VAL A 133 -4.108 -4.368 -4.960 1.00 0.00 C ATOM 1577 O VAL A 133 -3.165 -4.100 -5.708 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.418 -3.412 -5.223 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -5.798 -2.126 -5.743 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -7.791 -3.629 -5.836 1.00 0.00 C ATOM 0 H VAL A 133 -6.696 -5.697 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.430 -4.755 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.527 -3.318 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.460 -1.288 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.835 -1.964 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.653 -2.202 -6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.425 -2.768 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.693 -3.750 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.242 -4.525 -5.410 1.00 0.00 H new ATOM 1590 N PHE A 134 -3.981 -4.495 -3.652 1.00 0.00 N ATOM 1591 CA PHE A 134 -2.741 -4.214 -2.939 1.00 0.00 C ATOM 1592 C PHE A 134 -1.837 -5.442 -2.899 1.00 0.00 C ATOM 1593 O PHE A 134 -0.992 -5.574 -2.016 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.030 -3.696 -1.529 1.00 0.00 C ATOM 1595 CG PHE A 134 -3.752 -2.374 -1.518 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.121 -2.317 -1.304 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -3.064 -1.190 -1.737 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -5.787 -1.107 -1.307 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -3.727 0.024 -1.738 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.090 0.065 -1.524 1.00 0.00 C ATOM 0 H PHE A 134 -4.742 -4.799 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.211 -3.432 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.628 -4.433 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.090 -3.594 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -5.673 -3.229 -1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -1.998 -1.216 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -6.854 -1.078 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -3.179 0.939 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 134 -5.610 1.012 -1.526 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.055 -6.345 -3.848 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.351 -7.625 -3.905 1.00 0.00 C ATOM 1612 C ARG A 135 0.161 -7.440 -3.798 1.00 0.00 C ATOM 1613 O ARG A 135 0.719 -6.443 -4.265 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.692 -8.342 -5.219 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.248 -7.588 -6.461 1.00 0.00 C ATOM 1616 CD ARG A 135 -1.636 -8.320 -7.736 1.00 0.00 C ATOM 1617 NE ARG A 135 -3.082 -8.327 -7.951 1.00 0.00 N ATOM 1618 CZ ARG A 135 -3.670 -8.818 -9.040 1.00 0.00 C ATOM 1619 NH1 ARG A 135 -2.939 -9.357 -10.007 1.00 0.00 N ATOM 1620 NH2 ARG A 135 -4.990 -8.760 -9.160 1.00 0.00 N ATOM 0 H ARG A 135 -2.727 -6.211 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.677 -8.227 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.225 -9.327 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.769 -8.500 -5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -1.696 -6.594 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.167 -7.451 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.146 -7.848 -8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -1.273 -9.347 -7.688 1.00 0.00 H new ATOM 0 HE ARG A 135 -3.677 -7.932 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.924 -9.396 -9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -3.392 -9.732 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -5.551 -8.340 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -5.443 -9.135 -9.993 1.00 0.00 H new ATOM 1634 N PHE A 136 0.816 -8.409 -3.188 1.00 0.00 N ATOM 1635 CA PHE A 136 2.236 -8.309 -2.908 1.00 0.00 C ATOM 1636 C PHE A 136 3.030 -9.351 -3.684 1.00 0.00 C ATOM 1637 O PHE A 136 2.877 -10.556 -3.479 1.00 0.00 O ATOM 1638 CB PHE A 136 2.500 -8.431 -1.403 1.00 0.00 C ATOM 1639 CG PHE A 136 1.532 -9.325 -0.665 1.00 0.00 C ATOM 1640 CD1 PHE A 136 1.679 -10.703 -0.683 1.00 0.00 C ATOM 1641 CD2 PHE A 136 0.480 -8.779 0.059 1.00 0.00 C ATOM 1642 CE1 PHE A 136 0.799 -11.518 0.003 1.00 0.00 C ATOM 1643 CE2 PHE A 136 -0.404 -9.590 0.745 1.00 0.00 C ATOM 1644 CZ PHE A 136 -0.243 -10.960 0.716 1.00 0.00 C ATOM 0 H PHE A 136 0.385 -9.279 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 136 2.572 -7.326 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 136 3.511 -8.811 -1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 136 2.465 -7.436 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 136 2.492 -11.145 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 136 0.351 -7.707 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 136 0.926 -12.590 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.219 -9.152 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.932 -11.596 1.251 1.00 0.00 H new ATOM 1654 N ASP A 137 3.861 -8.863 -4.595 1.00 0.00 N ATOM 1655 CA ASP A 137 4.730 -9.715 -5.392 1.00 0.00 C ATOM 1656 C ASP A 137 5.659 -10.498 -4.483 1.00 0.00 C ATOM 1657 O ASP A 137 6.201 -9.962 -3.517 1.00 0.00 O ATOM 1658 CB ASP A 137 5.557 -8.868 -6.367 1.00 0.00 C ATOM 1659 CG ASP A 137 4.710 -7.887 -7.147 1.00 0.00 C ATOM 1660 OD1 ASP A 137 4.350 -8.188 -8.306 1.00 0.00 O ATOM 1661 OD2 ASP A 137 4.388 -6.812 -6.601 1.00 0.00 O ATOM 0 H ASP A 137 3.951 -7.868 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 137 4.112 -10.409 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.320 -8.322 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.078 -9.526 -7.063 1.00 0.00 H new ATOM 1666 N ASP A 138 5.848 -11.767 -4.807 1.00 0.00 N ATOM 1667 CA ASP A 138 6.648 -12.664 -3.987 1.00 0.00 C ATOM 1668 C ASP A 138 8.111 -12.247 -4.002 1.00 0.00 C ATOM 1669 O ASP A 138 8.883 -12.619 -3.118 1.00 0.00 O ATOM 1670 CB ASP A 138 6.512 -14.109 -4.476 1.00 0.00 C ATOM 1671 CG ASP A 138 5.076 -14.593 -4.461 1.00 0.00 C ATOM 1672 OD1 ASP A 138 4.520 -14.798 -3.363 1.00 0.00 O ATOM 1673 OD2 ASP A 138 4.494 -14.769 -5.553 1.00 0.00 O ATOM 0 H ASP A 138 5.454 -12.203 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 138 6.278 -12.603 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 138 6.907 -14.185 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 138 7.118 -14.761 -3.847 1.00 0.00 H new ATOM 1678 N ALA A 139 8.481 -11.476 -5.014 1.00 0.00 N ATOM 1679 CA ALA A 139 9.833 -10.944 -5.128 1.00 0.00 C ATOM 1680 C ALA A 139 10.011 -9.724 -4.232 1.00 0.00 C ATOM 1681 O ALA A 139 11.132 -9.314 -3.930 1.00 0.00 O ATOM 1682 CB ALA A 139 10.137 -10.589 -6.573 1.00 0.00 C ATOM 0 H ALA A 139 7.859 -11.203 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 139 10.534 -11.712 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 139 11.150 -10.193 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 139 10.052 -11.482 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 139 9.428 -9.837 -6.920 1.00 0.00 H new ATOM 1688 N ASN A 140 8.894 -9.140 -3.825 1.00 0.00 N ATOM 1689 CA ASN A 140 8.904 -7.979 -2.943 1.00 0.00 C ATOM 1690 C ASN A 140 8.861 -8.438 -1.489 1.00 0.00 C ATOM 1691 O ASN A 140 9.203 -7.691 -0.570 1.00 0.00 O ATOM 1692 CB ASN A 140 7.708 -7.068 -3.264 1.00 0.00 C ATOM 1693 CG ASN A 140 7.596 -5.873 -2.333 1.00 0.00 C ATOM 1694 OD1 ASN A 140 6.930 -5.935 -1.300 1.00 0.00 O ATOM 1695 ND2 ASN A 140 8.233 -4.771 -2.702 1.00 0.00 N ATOM 0 H ASN A 140 7.961 -9.453 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 140 9.820 -7.410 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 140 7.796 -6.713 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 140 6.789 -7.652 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 140 8.181 -3.934 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 140 8.775 -4.760 -3.566 1.00 0.00 H new ATOM 1702 N LEU A 141 8.460 -9.689 -1.301 1.00 0.00 N ATOM 1703 CA LEU A 141 8.350 -10.280 0.025 1.00 0.00 C ATOM 1704 C LEU A 141 9.710 -10.755 0.522 1.00 0.00 C ATOM 1705 O LEU A 141 10.755 -10.363 0.000 1.00 0.00 O ATOM 1706 CB LEU A 141 7.368 -11.460 -0.001 1.00 0.00 C ATOM 1707 CG LEU A 141 5.921 -11.115 -0.365 1.00 0.00 C ATOM 1708 CD1 LEU A 141 5.054 -12.367 -0.340 1.00 0.00 C ATOM 1709 CD2 LEU A 141 5.364 -10.066 0.584 1.00 0.00 C ATOM 0 H LEU A 141 8.203 -10.320 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 141 7.978 -9.516 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 141 7.736 -12.199 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.373 -11.934 0.981 1.00 0.00 H new ATOM 0 HG LEU A 141 5.910 -10.704 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 141 4.029 -12.105 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.438 -13.090 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.074 -12.804 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.335 -9.835 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.389 -10.449 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.968 -9.161 0.521 1.00 0.00 H new ATOM 1721 N VAL A 142 9.685 -11.616 1.526 1.00 0.00 N ATOM 1722 CA VAL A 142 10.903 -12.143 2.111 1.00 0.00 C ATOM 1723 C VAL A 142 11.159 -13.564 1.608 1.00 0.00 C ATOM 1724 O VAL A 142 10.346 -14.469 1.815 1.00 0.00 O ATOM 1725 CB VAL A 142 10.853 -12.108 3.657 1.00 0.00 C ATOM 1726 CG1 VAL A 142 9.585 -12.762 4.190 1.00 0.00 C ATOM 1727 CG2 VAL A 142 12.088 -12.768 4.251 1.00 0.00 C ATOM 0 H VAL A 142 8.828 -11.966 1.954 1.00 0.00 H new ATOM 0 HA VAL A 142 11.730 -11.505 1.798 1.00 0.00 H new ATOM 0 HB VAL A 142 10.839 -11.062 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 142 9.584 -12.719 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.713 -12.233 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 142 9.549 -13.803 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 142 12.032 -12.732 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 142 12.138 -13.807 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 142 12.980 -12.239 3.916 1.00 0.00 H new ATOM 1737 N PRO A 143 12.284 -13.771 0.912 1.00 0.00 N ATOM 1738 CA PRO A 143 12.627 -15.070 0.344 1.00 0.00 C ATOM 1739 C PRO A 143 13.106 -16.050 1.412 1.00 0.00 C ATOM 1740 O PRO A 143 13.859 -15.684 2.317 1.00 0.00 O ATOM 1741 CB PRO A 143 13.752 -14.744 -0.637 1.00 0.00 C ATOM 1742 CG PRO A 143 14.396 -13.514 -0.093 1.00 0.00 C ATOM 1743 CD PRO A 143 13.317 -12.752 0.632 1.00 0.00 C ATOM 0 HA PRO A 143 11.771 -15.555 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 143 14.465 -15.565 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 143 13.363 -14.574 -1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 143 15.212 -13.770 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 143 14.824 -12.913 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 143 13.694 -12.303 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 143 12.922 -11.941 0.020 1.00 0.00 H new ATOM 1751 N ARG A 144 12.654 -17.287 1.310 1.00 0.00 N ATOM 1752 CA ARG A 144 13.048 -18.323 2.253 1.00 0.00 C ATOM 1753 C ARG A 144 14.094 -19.221 1.609 1.00 0.00 C ATOM 1754 O ARG A 144 13.775 -20.011 0.719 1.00 0.00 O ATOM 1755 CB ARG A 144 11.840 -19.167 2.683 1.00 0.00 C ATOM 1756 CG ARG A 144 10.644 -18.359 3.173 1.00 0.00 C ATOM 1757 CD ARG A 144 10.968 -17.546 4.413 1.00 0.00 C ATOM 1758 NE ARG A 144 9.789 -16.858 4.935 1.00 0.00 N ATOM 1759 CZ ARG A 144 9.819 -15.999 5.952 1.00 0.00 C ATOM 1760 NH1 ARG A 144 10.970 -15.701 6.544 1.00 0.00 N ATOM 1761 NH2 ARG A 144 8.694 -15.431 6.371 1.00 0.00 N ATOM 0 H ARG A 144 12.012 -17.601 0.582 1.00 0.00 H new ATOM 0 HA ARG A 144 13.463 -17.843 3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 144 11.525 -19.783 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 144 12.152 -19.847 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 144 10.310 -17.690 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 144 9.816 -19.034 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 144 11.376 -18.203 5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 144 11.741 -16.814 4.176 1.00 0.00 H new ATOM 0 HE ARG A 144 8.889 -17.047 4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 144 11.836 -16.131 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 144 10.987 -15.042 7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 144 7.810 -15.653 5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 144 8.714 -14.773 7.150 1.00 0.00 H new ATOM 1775 N GLY A 145 15.336 -19.111 2.053 1.00 0.00 N ATOM 1776 CA GLY A 145 16.407 -19.862 1.433 1.00 0.00 C ATOM 1777 C GLY A 145 17.201 -18.989 0.485 1.00 0.00 C ATOM 1778 O GLY A 145 16.891 -18.903 -0.705 1.00 0.00 O ATOM 0 H GLY A 145 15.622 -18.516 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 145 17.067 -20.264 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 145 15.994 -20.712 0.891 1.00 0.00 H new ATOM 1782 N SER A 146 18.208 -18.322 1.034 1.00 0.00 N ATOM 1783 CA SER A 146 19.048 -17.407 0.273 1.00 0.00 C ATOM 1784 C SER A 146 19.688 -18.104 -0.927 1.00 0.00 C ATOM 1785 O SER A 146 20.406 -19.098 -0.776 1.00 0.00 O ATOM 1786 CB SER A 146 20.132 -16.831 1.182 1.00 0.00 C ATOM 1787 OG SER A 146 19.567 -16.324 2.380 1.00 0.00 O ATOM 0 H SER A 146 18.465 -18.400 2.018 1.00 0.00 H new ATOM 0 HA SER A 146 18.419 -16.601 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 146 20.864 -17.604 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 146 20.665 -16.036 0.661 1.00 0.00 H new ATOM 0 HG SER A 146 20.278 -15.961 2.949 1.00 0.00 H new ATOM 1793 N GLY A 147 19.403 -17.594 -2.119 1.00 0.00 N ATOM 1794 CA GLY A 147 20.002 -18.137 -3.323 1.00 0.00 C ATOM 1795 C GLY A 147 19.143 -19.204 -3.965 1.00 0.00 C ATOM 1796 O GLY A 147 19.472 -19.715 -5.033 1.00 0.00 O ATOM 0 H GLY A 147 18.766 -16.812 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 147 20.169 -17.331 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 147 20.978 -18.557 -3.082 1.00 0.00 H new ATOM 1800 N LEU A 148 18.042 -19.543 -3.316 1.00 0.00 N ATOM 1801 CA LEU A 148 17.142 -20.561 -3.828 1.00 0.00 C ATOM 1802 C LEU A 148 15.930 -19.917 -4.482 1.00 0.00 C ATOM 1803 O LEU A 148 14.928 -19.637 -3.816 1.00 0.00 O ATOM 1804 CB LEU A 148 16.687 -21.494 -2.702 1.00 0.00 C ATOM 1805 CG LEU A 148 17.809 -22.192 -1.930 1.00 0.00 C ATOM 1806 CD1 LEU A 148 17.226 -23.056 -0.825 1.00 0.00 C ATOM 1807 CD2 LEU A 148 18.670 -23.033 -2.859 1.00 0.00 C ATOM 0 H LEU A 148 17.750 -19.127 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 148 17.680 -21.146 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 148 16.088 -20.918 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 148 16.034 -22.256 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 148 18.443 -21.426 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 148 18.034 -23.547 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 148 16.655 -22.432 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 148 16.570 -23.810 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 148 19.459 -23.518 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 148 18.053 -23.792 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 148 19.116 -22.393 -3.620 1.00 0.00 H new ATOM 1819 N GLU A 149 16.026 -19.666 -5.779 1.00 0.00 N ATOM 1820 CA GLU A 149 14.908 -19.121 -6.531 1.00 0.00 C ATOM 1821 C GLU A 149 13.867 -20.215 -6.739 1.00 0.00 C ATOM 1822 O GLU A 149 12.673 -19.947 -6.876 1.00 0.00 O ATOM 1823 CB GLU A 149 15.385 -18.572 -7.878 1.00 0.00 C ATOM 1824 CG GLU A 149 14.392 -17.635 -8.543 1.00 0.00 C ATOM 1825 CD GLU A 149 14.087 -16.422 -7.696 1.00 0.00 C ATOM 1826 OE1 GLU A 149 14.967 -15.539 -7.573 1.00 0.00 O ATOM 1827 OE2 GLU A 149 12.970 -16.339 -7.145 1.00 0.00 O ATOM 0 H GLU A 149 16.867 -19.831 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 149 14.462 -18.298 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.327 -18.044 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.588 -19.407 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.790 -17.312 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.467 -18.175 -8.746 1.00 0.00 H new ATOM 1834 N HIS A 150 14.337 -21.453 -6.756 1.00 0.00 N ATOM 1835 CA HIS A 150 13.455 -22.603 -6.807 1.00 0.00 C ATOM 1836 C HIS A 150 12.975 -22.937 -5.400 1.00 0.00 C ATOM 1837 O HIS A 150 13.649 -23.648 -4.652 1.00 0.00 O ATOM 1838 CB HIS A 150 14.178 -23.801 -7.437 1.00 0.00 C ATOM 1839 CG HIS A 150 13.377 -25.070 -7.445 1.00 0.00 C ATOM 1840 ND1 HIS A 150 13.925 -26.306 -7.177 1.00 0.00 N ATOM 1841 CD2 HIS A 150 12.063 -25.294 -7.691 1.00 0.00 C ATOM 1842 CE1 HIS A 150 12.986 -27.230 -7.256 1.00 0.00 C ATOM 1843 NE2 HIS A 150 11.846 -26.643 -7.566 1.00 0.00 N ATOM 0 H HIS A 150 15.330 -21.685 -6.735 1.00 0.00 H new ATOM 0 HA HIS A 150 12.590 -22.369 -7.427 1.00 0.00 H new ATOM 0 HB2 HIS A 150 14.449 -23.549 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 150 15.108 -23.975 -6.896 1.00 0.00 H new ATOM 0 HD2 HIS A 150 11.323 -24.548 -7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 150 13.127 -28.288 -7.094 1.00 0.00 H new ATOM 0 HE2 HIS A 150 10.950 -27.115 -7.692 1.00 0.00 H new ATOM 1852 N HIS A 151 11.816 -22.411 -5.042 1.00 0.00 N ATOM 1853 CA HIS A 151 11.250 -22.646 -3.722 1.00 0.00 C ATOM 1854 C HIS A 151 10.530 -23.987 -3.693 1.00 0.00 C ATOM 1855 O HIS A 151 9.518 -24.169 -4.366 1.00 0.00 O ATOM 1856 CB HIS A 151 10.285 -21.519 -3.335 1.00 0.00 C ATOM 1857 CG HIS A 151 9.657 -21.703 -1.985 1.00 0.00 C ATOM 1858 ND1 HIS A 151 8.372 -22.169 -1.814 1.00 0.00 N ATOM 1859 CD2 HIS A 151 10.143 -21.488 -0.738 1.00 0.00 C ATOM 1860 CE1 HIS A 151 8.098 -22.235 -0.525 1.00 0.00 C ATOM 1861 NE2 HIS A 151 9.155 -21.829 0.149 1.00 0.00 N ATOM 0 H HIS A 151 11.247 -21.818 -5.646 1.00 0.00 H new ATOM 0 HA HIS A 151 12.064 -22.664 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 151 10.822 -20.571 -3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 151 9.498 -21.452 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.126 -21.117 -0.489 1.00 0.00 H new ATOM 0 HE1 HIS A 151 7.164 -22.566 -0.095 1.00 0.00 H new ATOM 0 HE2 HIS A 151 9.226 -21.777 1.165 1.00 0.00 H new ATOM 1870 N HIS A 152 11.061 -24.924 -2.923 1.00 0.00 N ATOM 1871 CA HIS A 152 10.464 -26.245 -2.812 1.00 0.00 C ATOM 1872 C HIS A 152 10.810 -26.861 -1.459 1.00 0.00 C ATOM 1873 O HIS A 152 9.923 -27.117 -0.647 1.00 0.00 O ATOM 1874 CB HIS A 152 10.948 -27.142 -3.957 1.00 0.00 C ATOM 1875 CG HIS A 152 10.154 -28.401 -4.121 1.00 0.00 C ATOM 1876 ND1 HIS A 152 9.018 -28.475 -4.899 1.00 0.00 N ATOM 1877 CD2 HIS A 152 10.342 -29.640 -3.618 1.00 0.00 C ATOM 1878 CE1 HIS A 152 8.544 -29.704 -4.865 1.00 0.00 C ATOM 1879 NE2 HIS A 152 9.330 -30.430 -4.096 1.00 0.00 N ATOM 0 H HIS A 152 11.905 -24.794 -2.365 1.00 0.00 H new ATOM 0 HA HIS A 152 9.380 -26.154 -2.884 1.00 0.00 H new ATOM 0 HB2 HIS A 152 10.911 -26.577 -4.888 1.00 0.00 H new ATOM 0 HB3 HIS A 152 11.992 -27.403 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 152 11.141 -29.950 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 152 7.662 -30.056 -5.379 1.00 0.00 H new ATOM 0 HE2 HIS A 152 9.205 -31.421 -3.890 1.00 0.00 H new ATOM 1888 N HIS A 153 12.105 -27.086 -1.231 1.00 0.00 N ATOM 1889 CA HIS A 153 12.605 -27.596 0.050 1.00 0.00 C ATOM 1890 C HIS A 153 11.924 -28.899 0.463 1.00 0.00 C ATOM 1891 O HIS A 153 11.282 -28.973 1.513 1.00 0.00 O ATOM 1892 CB HIS A 153 12.437 -26.547 1.152 1.00 0.00 C ATOM 1893 CG HIS A 153 13.711 -25.851 1.512 1.00 0.00 C ATOM 1894 ND1 HIS A 153 14.019 -25.470 2.798 1.00 0.00 N ATOM 1895 CD2 HIS A 153 14.759 -25.465 0.749 1.00 0.00 C ATOM 1896 CE1 HIS A 153 15.195 -24.880 2.810 1.00 0.00 C ATOM 1897 NE2 HIS A 153 15.671 -24.865 1.580 1.00 0.00 N ATOM 0 H HIS A 153 12.835 -26.921 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 153 13.665 -27.809 -0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 153 11.706 -25.806 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 153 12.031 -27.028 2.042 1.00 0.00 H new ATOM 0 HD1 HIS A 153 13.427 -25.621 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 153 14.859 -25.604 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 153 15.688 -24.476 3.682 1.00 0.00 H new ATOM 1906 N HIS A 154 12.075 -29.925 -0.360 1.00 0.00 N ATOM 1907 CA HIS A 154 11.510 -31.232 -0.062 1.00 0.00 C ATOM 1908 C HIS A 154 12.177 -32.296 -0.922 1.00 0.00 C ATOM 1909 O HIS A 154 11.893 -32.408 -2.115 1.00 0.00 O ATOM 1910 CB HIS A 154 9.994 -31.234 -0.295 1.00 0.00 C ATOM 1911 CG HIS A 154 9.311 -32.514 0.098 1.00 0.00 C ATOM 1912 ND1 HIS A 154 8.734 -32.713 1.334 1.00 0.00 N ATOM 1913 CD2 HIS A 154 9.102 -33.658 -0.597 1.00 0.00 C ATOM 1914 CE1 HIS A 154 8.203 -33.921 1.380 1.00 0.00 C ATOM 1915 NE2 HIS A 154 8.412 -34.514 0.221 1.00 0.00 N ATOM 0 H HIS A 154 12.585 -29.878 -1.242 1.00 0.00 H new ATOM 0 HA HIS A 154 11.694 -31.458 0.988 1.00 0.00 H new ATOM 0 HB2 HIS A 154 9.551 -30.412 0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 154 9.800 -31.041 -1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 154 9.421 -33.858 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 154 7.685 -34.351 2.224 1.00 0.00 H new ATOM 0 HE2 HIS A 154 8.109 -35.456 -0.026 1.00 0.00 H new ATOM 1924 N HIS A 155 13.073 -33.058 -0.318 1.00 0.00 N ATOM 1925 CA HIS A 155 13.774 -34.113 -1.035 1.00 0.00 C ATOM 1926 C HIS A 155 12.922 -35.380 -1.079 1.00 0.00 C ATOM 1927 O HIS A 155 12.480 -35.760 -2.181 1.00 0.00 O ATOM 1928 CB HIS A 155 15.161 -34.388 -0.417 1.00 0.00 C ATOM 1929 CG HIS A 155 15.145 -34.982 0.965 1.00 0.00 C ATOM 1930 ND1 HIS A 155 15.452 -36.301 1.215 1.00 0.00 N ATOM 1931 CD2 HIS A 155 14.861 -34.432 2.170 1.00 0.00 C ATOM 1932 CE1 HIS A 155 15.357 -36.536 2.508 1.00 0.00 C ATOM 1933 NE2 HIS A 155 15.001 -35.420 3.111 1.00 0.00 N ATOM 1934 OXT HIS A 155 12.669 -35.971 -0.010 1.00 0.00 O ATOM 0 H HIS A 155 13.333 -32.967 0.664 1.00 0.00 H new ATOM 0 HA HIS A 155 13.941 -33.778 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 155 15.707 -35.062 -1.077 1.00 0.00 H new ATOM 0 HB3 HIS A 155 15.718 -33.452 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 155 14.577 -33.407 2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 155 15.540 -37.484 2.992 1.00 0.00 H new ATOM 0 HE2 HIS A 155 14.854 -35.309 4.114 1.00 0.00 H new TER 1943 HIS A 155