USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1101 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: C 43 LYS NZ :NH3+ 157:sc= -0.236 (180deg=-1.43!) USER MOD Set 1.2: C 57 GLN : amide:sc= -3.45! C(o=-3.7!,f=-8.8!) USER MOD Set 2.1: A 1 MET CE :methyl -137:sc= -0.889 (180deg=-2.54) USER MOD Set 2.2: A 5 SER OG : rot 47:sc= 0.0952 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=-0.43) USER MOD Single : A -1 GLY N :NH3+ 129:sc= 0.0268 (180deg=0) USER MOD Single : A 11 TYR OH : rot 15:sc= -0.584 USER MOD Single : A 14 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-6.6!) USER MOD Single : A 15 CYS SG : rot -29:sc= -3! USER MOD Single : A 17 SER OG : rot 22:sc= 0.888 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl 180:sc= -0.172 (180deg=-0.172) USER MOD Single : C 4 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : C 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 6 HIS : no HD1:sc=-0.000326 X(o=-0.00033,f=-0.00033) USER MOD Single : C 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 9 HIS : no HE2:sc= 0.175 K(o=0.18,f=-2.5!) USER MOD Single : C 15 LYS NZ :NH3+ -164:sc= -0.0716 (180deg=-0.408) USER MOD Single : C 16 MET CE :methyl -139:sc= -0.237 (180deg=-0.913) USER MOD Single : C 22 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.13) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : C 28 THR OG1 : rot 17:sc= -1.61! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.038 USER MOD Single : C 36 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.48) USER MOD Single : C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 38 ASN :FLIP amide:sc= -2.14! C(o=-3.5!,f=-2.1!) USER MOD Single : C 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0351) USER MOD Single : C 45 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.2!) USER MOD Single : C 49 SER OG : rot 65:sc= 1.16 USER MOD Single : C 51 SER OG : rot -14:sc= 1.07 USER MOD Single : C 54 SER OG : rot 140:sc= 0.0187 USER MOD Single : C 56 LYS NZ :NH3+ 128:sc= -0.0291 (180deg=-0.249) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.121 USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 75 TYR OH : rot -145:sc= -0.046 USER MOD Single : C 76 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.91) USER MOD Single : C 80 LYS NZ :NH3+ -169:sc= 0.0359 (180deg=-0.0398) USER MOD Single : C 83 HIS : no HD1:sc= -0.0973 K(o=-0.097,f=-0.67) USER MOD Single : C 91 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.28) USER MOD Single : C 92 THR OG1 : rot 180:sc= 0 USER MOD Single : C 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 96 SER OG : rot -120:sc= 1.02 USER MOD Single : C 99 SER OG : rot 180:sc= 0.0202 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -24.280 -3.033 11.015 1.00 0.00 N ATOM 2 CA GLY A -1 -23.411 -3.000 12.216 1.00 0.00 C ATOM 3 C GLY A -1 -21.945 -2.932 11.848 1.00 0.00 C ATOM 4 O GLY A -1 -21.538 -3.449 10.806 1.00 0.00 O ATOM 0 H1 GLY A -1 -24.948 -3.826 11.092 1.00 0.00 H new ATOM 0 H2 GLY A -1 -24.809 -2.140 10.945 1.00 0.00 H new ATOM 0 H3 GLY A -1 -23.693 -3.156 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -23.672 -2.138 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -23.593 -3.888 12.821 1.00 0.00 H new ATOM 10 N SER A 0 -21.149 -2.298 12.699 1.00 0.00 N ATOM 11 CA SER A 0 -19.726 -2.148 12.444 1.00 0.00 C ATOM 12 C SER A 0 -18.981 -3.433 12.786 1.00 0.00 C ATOM 13 O SER A 0 -18.515 -4.132 11.890 1.00 0.00 O ATOM 14 CB SER A 0 -19.171 -0.977 13.254 1.00 0.00 C ATOM 15 OG SER A 0 -19.916 0.203 13.009 1.00 0.00 O ATOM 0 H SER A 0 -21.467 -1.879 13.573 1.00 0.00 H new ATOM 0 HA SER A 0 -19.581 -1.943 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 0 -19.201 -1.217 14.317 1.00 0.00 H new ATOM 0 HB3 SER A 0 -18.125 -0.813 12.994 1.00 0.00 H new ATOM 0 HG SER A 0 -19.545 0.940 13.538 1.00 0.00 H new ATOM 21 N MET A 1 -18.899 -3.732 14.089 1.00 0.00 N ATOM 22 CA MET A 1 -18.229 -4.931 14.618 1.00 0.00 C ATOM 23 C MET A 1 -16.948 -5.285 13.849 1.00 0.00 C ATOM 24 O MET A 1 -16.689 -6.452 13.550 1.00 0.00 O ATOM 25 CB MET A 1 -19.194 -6.133 14.662 1.00 0.00 C ATOM 26 CG MET A 1 -19.703 -6.600 13.304 1.00 0.00 C ATOM 27 SD MET A 1 -20.827 -8.009 13.423 1.00 0.00 S ATOM 28 CE MET A 1 -19.811 -9.194 14.309 1.00 0.00 C ATOM 0 H MET A 1 -19.301 -3.141 14.817 1.00 0.00 H new ATOM 0 HA MET A 1 -17.927 -4.691 15.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.690 -6.967 15.151 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.050 -5.870 15.283 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.214 -5.774 12.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.854 -6.871 12.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.922 -10.179 13.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.766 -8.887 14.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.126 -9.236 15.351 1.00 0.00 H new ATOM 38 N ALA A 2 -16.146 -4.268 13.548 1.00 0.00 N ATOM 39 CA ALA A 2 -14.881 -4.470 12.854 1.00 0.00 C ATOM 40 C ALA A 2 -13.847 -5.015 13.824 1.00 0.00 C ATOM 41 O ALA A 2 -12.899 -5.701 13.435 1.00 0.00 O ATOM 42 CB ALA A 2 -14.399 -3.169 12.228 1.00 0.00 C ATOM 0 H ALA A 2 -16.351 -3.295 13.775 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.028 -5.193 12.052 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.453 -3.341 11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.141 -2.813 11.513 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.258 -2.420 13.008 1.00 0.00 H new ATOM 48 N GLU A 3 -14.045 -4.701 15.094 1.00 0.00 N ATOM 49 CA GLU A 3 -13.219 -5.234 16.158 1.00 0.00 C ATOM 50 C GLU A 3 -14.105 -5.876 17.222 1.00 0.00 C ATOM 51 O GLU A 3 -14.445 -5.256 18.232 1.00 0.00 O ATOM 52 CB GLU A 3 -12.347 -4.130 16.764 1.00 0.00 C ATOM 53 CG GLU A 3 -11.457 -4.607 17.902 1.00 0.00 C ATOM 54 CD GLU A 3 -10.681 -5.858 17.548 1.00 0.00 C ATOM 55 OE1 GLU A 3 -9.773 -5.783 16.695 1.00 0.00 O ATOM 56 OE2 GLU A 3 -10.978 -6.924 18.117 1.00 0.00 O ATOM 0 H GLU A 3 -14.781 -4.071 15.413 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.556 -5.996 15.749 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.721 -3.703 15.980 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.991 -3.330 17.129 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.759 -3.814 18.169 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.071 -4.801 18.782 1.00 0.00 H new ATOM 63 N ALA A 4 -14.499 -7.113 16.966 1.00 0.00 N ATOM 64 CA ALA A 4 -15.349 -7.861 17.880 1.00 0.00 C ATOM 65 C ALA A 4 -15.249 -9.351 17.592 1.00 0.00 C ATOM 66 O ALA A 4 -15.170 -10.174 18.506 1.00 0.00 O ATOM 67 CB ALA A 4 -16.795 -7.396 17.767 1.00 0.00 C ATOM 0 H ALA A 4 -14.240 -7.626 16.123 1.00 0.00 H new ATOM 0 HA ALA A 4 -15.007 -7.678 18.899 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.416 -7.967 18.458 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.857 -6.336 18.014 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -17.149 -7.552 16.748 1.00 0.00 H new ATOM 73 N SER A 5 -15.260 -9.689 16.314 1.00 0.00 N ATOM 74 CA SER A 5 -15.140 -11.068 15.884 1.00 0.00 C ATOM 75 C SER A 5 -13.811 -11.284 15.157 1.00 0.00 C ATOM 76 O SER A 5 -13.626 -10.809 14.033 1.00 0.00 O ATOM 77 CB SER A 5 -16.324 -11.424 14.980 1.00 0.00 C ATOM 78 OG SER A 5 -16.562 -10.404 14.021 1.00 0.00 O ATOM 0 H SER A 5 -15.352 -9.019 15.551 1.00 0.00 H new ATOM 0 HA SER A 5 -15.154 -11.723 16.755 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.125 -12.367 14.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.217 -11.572 15.587 1.00 0.00 H new ATOM 0 HG SER A 5 -15.713 -10.137 13.609 1.00 0.00 H new ATOM 84 N PRO A 6 -12.857 -11.980 15.800 1.00 0.00 N ATOM 85 CA PRO A 6 -11.540 -12.248 15.216 1.00 0.00 C ATOM 86 C PRO A 6 -11.628 -13.167 14.003 1.00 0.00 C ATOM 87 O PRO A 6 -11.527 -14.389 14.119 1.00 0.00 O ATOM 88 CB PRO A 6 -10.754 -12.923 16.340 1.00 0.00 C ATOM 89 CG PRO A 6 -11.559 -12.726 17.581 1.00 0.00 C ATOM 90 CD PRO A 6 -12.985 -12.563 17.142 1.00 0.00 C ATOM 0 HA PRO A 6 -11.070 -11.332 14.857 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.610 -13.983 16.133 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.763 -12.481 16.443 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.454 -13.579 18.251 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.219 -11.847 18.129 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.511 -13.517 17.118 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.541 -11.909 17.814 1.00 0.00 H new ATOM 98 N HIS A 7 -11.843 -12.564 12.844 1.00 0.00 N ATOM 99 CA HIS A 7 -11.947 -13.292 11.589 1.00 0.00 C ATOM 100 C HIS A 7 -11.308 -12.471 10.479 1.00 0.00 C ATOM 101 O HIS A 7 -11.387 -11.241 10.500 1.00 0.00 O ATOM 102 CB HIS A 7 -13.417 -13.563 11.232 1.00 0.00 C ATOM 103 CG HIS A 7 -14.110 -14.528 12.145 1.00 0.00 C ATOM 104 ND1 HIS A 7 -15.313 -14.252 12.760 1.00 0.00 N ATOM 105 CD2 HIS A 7 -13.775 -15.782 12.528 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.684 -15.293 13.483 1.00 0.00 C ATOM 107 NE2 HIS A 7 -14.769 -16.232 13.357 1.00 0.00 N ATOM 0 H HIS A 7 -11.950 -11.554 12.747 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.433 -14.247 11.699 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.960 -12.618 11.242 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.465 -13.947 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.890 -16.326 12.235 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.584 -15.362 14.076 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.796 -17.148 13.805 1.00 0.00 H new ATOM 116 N PRO A 8 -10.690 -13.130 9.485 1.00 0.00 N ATOM 117 CA PRO A 8 -10.055 -12.453 8.347 1.00 0.00 C ATOM 118 C PRO A 8 -11.071 -11.947 7.327 1.00 0.00 C ATOM 119 O PRO A 8 -10.807 -11.912 6.124 1.00 0.00 O ATOM 120 CB PRO A 8 -9.200 -13.540 7.746 1.00 0.00 C ATOM 121 CG PRO A 8 -9.979 -14.781 7.994 1.00 0.00 C ATOM 122 CD PRO A 8 -10.560 -14.600 9.373 1.00 0.00 C ATOM 0 HA PRO A 8 -9.501 -11.565 8.652 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.036 -13.377 6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.218 -13.583 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.763 -14.912 7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.342 -15.664 7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.523 -15.100 9.475 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.906 -15.008 10.144 1.00 0.00 H new ATOM 130 N GLY A 9 -12.235 -11.555 7.823 1.00 0.00 N ATOM 131 CA GLY A 9 -13.292 -11.073 6.967 1.00 0.00 C ATOM 132 C GLY A 9 -13.487 -9.590 7.119 1.00 0.00 C ATOM 133 O GLY A 9 -14.362 -8.992 6.504 1.00 0.00 O ATOM 0 H GLY A 9 -12.465 -11.564 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.056 -11.306 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.221 -11.590 7.207 1.00 0.00 H new ATOM 137 N ARG A 10 -12.673 -9.000 7.961 1.00 0.00 N ATOM 138 CA ARG A 10 -12.731 -7.573 8.198 1.00 0.00 C ATOM 139 C ARG A 10 -11.800 -6.840 7.246 1.00 0.00 C ATOM 140 O ARG A 10 -10.648 -6.566 7.575 1.00 0.00 O ATOM 141 CB ARG A 10 -12.369 -7.248 9.651 1.00 0.00 C ATOM 142 CG ARG A 10 -13.555 -7.241 10.598 1.00 0.00 C ATOM 143 CD ARG A 10 -14.270 -8.578 10.621 1.00 0.00 C ATOM 144 NE ARG A 10 -15.468 -8.536 11.449 1.00 0.00 N ATOM 145 CZ ARG A 10 -16.698 -8.754 10.990 1.00 0.00 C ATOM 146 NH1 ARG A 10 -16.910 -8.974 9.700 1.00 0.00 N ATOM 147 NH2 ARG A 10 -17.722 -8.729 11.822 1.00 0.00 N ATOM 0 H ARG A 10 -11.957 -9.488 8.498 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.752 -7.238 8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.640 -7.977 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.885 -6.272 9.684 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.215 -6.994 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.254 -6.461 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.541 -8.863 9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.594 -9.345 10.998 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.357 -8.327 12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.126 -8.977 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.857 -9.140 9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.569 -8.543 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.666 -8.896 11.474 1.00 0.00 H new ATOM 161 N TYR A 11 -12.289 -6.564 6.050 1.00 0.00 N ATOM 162 CA TYR A 11 -11.566 -5.729 5.104 1.00 0.00 C ATOM 163 C TYR A 11 -12.376 -4.495 4.800 1.00 0.00 C ATOM 164 O TYR A 11 -13.573 -4.440 5.055 1.00 0.00 O ATOM 165 CB TYR A 11 -11.290 -6.448 3.784 1.00 0.00 C ATOM 166 CG TYR A 11 -10.189 -7.442 3.806 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.265 -8.564 4.606 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.074 -7.253 3.017 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.243 -9.481 4.632 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.037 -8.161 3.037 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.126 -9.278 3.846 1.00 0.00 C ATOM 172 OH TYR A 11 -7.093 -10.184 3.877 1.00 0.00 O ATOM 0 H TYR A 11 -13.187 -6.907 5.709 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.612 -5.477 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.203 -6.953 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.063 -5.699 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.139 -8.723 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.013 -6.385 2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.312 -10.355 5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.162 -8.001 2.425 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.396 -11.012 4.305 1.00 0.00 H new ATOM 182 N PHE A 12 -11.732 -3.540 4.201 1.00 0.00 N ATOM 183 CA PHE A 12 -12.382 -2.301 3.847 1.00 0.00 C ATOM 184 C PHE A 12 -11.903 -1.849 2.491 1.00 0.00 C ATOM 185 O PHE A 12 -10.710 -1.620 2.286 1.00 0.00 O ATOM 186 CB PHE A 12 -12.124 -1.202 4.884 1.00 0.00 C ATOM 187 CG PHE A 12 -12.882 0.066 4.600 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.208 0.191 4.976 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.275 1.127 3.946 1.00 0.00 C ATOM 190 CE1 PHE A 12 -14.915 1.347 4.705 1.00 0.00 C ATOM 191 CE2 PHE A 12 -12.975 2.287 3.675 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.297 2.399 4.053 1.00 0.00 C ATOM 0 H PHE A 12 -10.747 -3.590 3.942 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.456 -2.483 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.401 -1.570 5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.057 -0.982 4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.696 -0.625 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.241 1.046 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.950 1.429 5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.487 3.106 3.167 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.847 3.304 3.841 1.00 0.00 H new ATOM 202 N CYS A 13 -12.820 -1.747 1.557 1.00 0.00 N ATOM 203 CA CYS A 13 -12.482 -1.233 0.260 1.00 0.00 C ATOM 204 C CYS A 13 -12.872 0.234 0.181 1.00 0.00 C ATOM 205 O CYS A 13 -14.012 0.601 0.477 1.00 0.00 O ATOM 206 CB CYS A 13 -13.139 -2.038 -0.838 1.00 0.00 C ATOM 207 SG CYS A 13 -13.532 -1.083 -2.313 1.00 0.00 S ATOM 0 H CYS A 13 -13.798 -2.012 1.674 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.405 -1.320 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.480 -2.860 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.056 -2.482 -0.450 1.00 0.00 H new ATOM 212 N HIS A 14 -11.935 1.068 -0.229 1.00 0.00 N ATOM 213 CA HIS A 14 -12.101 2.501 -0.101 1.00 0.00 C ATOM 214 C HIS A 14 -12.894 3.126 -1.247 1.00 0.00 C ATOM 215 O HIS A 14 -13.432 4.219 -1.090 1.00 0.00 O ATOM 216 CB HIS A 14 -10.751 3.162 0.043 1.00 0.00 C ATOM 217 CG HIS A 14 -10.105 2.930 1.376 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.105 3.862 2.388 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.427 1.860 1.857 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.452 3.381 3.427 1.00 0.00 C ATOM 221 NE2 HIS A 14 -9.029 2.169 3.133 1.00 0.00 N ATOM 0 H HIS A 14 -11.054 0.778 -0.652 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.693 2.673 0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.090 2.792 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.863 4.235 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.235 0.935 1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.291 3.895 4.363 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.494 1.560 3.752 1.00 0.00 H new ATOM 230 N CYS A 15 -12.972 2.464 -2.401 1.00 0.00 N ATOM 231 CA CYS A 15 -13.786 2.975 -3.481 1.00 0.00 C ATOM 232 C CYS A 15 -15.264 2.797 -3.150 1.00 0.00 C ATOM 233 O CYS A 15 -16.098 3.609 -3.537 1.00 0.00 O ATOM 234 CB CYS A 15 -13.428 2.289 -4.799 1.00 0.00 C ATOM 235 SG CYS A 15 -13.769 0.520 -4.858 1.00 0.00 S ATOM 0 H CYS A 15 -12.488 1.589 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.587 4.040 -3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.977 2.776 -5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.367 2.446 -4.996 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.676 0.020 -3.662 1.00 0.00 H new ATOM 241 N CYS A 16 -15.569 1.734 -2.406 1.00 0.00 N ATOM 242 CA CYS A 16 -16.936 1.462 -1.977 1.00 0.00 C ATOM 243 C CYS A 16 -17.279 2.210 -0.682 1.00 0.00 C ATOM 244 O CYS A 16 -18.450 2.427 -0.371 1.00 0.00 O ATOM 245 CB CYS A 16 -17.154 -0.040 -1.765 1.00 0.00 C ATOM 246 SG CYS A 16 -17.162 -1.037 -3.272 1.00 0.00 S ATOM 0 H CYS A 16 -14.885 1.047 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.595 1.815 -2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.372 -0.415 -1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.103 -0.184 -1.248 1.00 0.00 H new ATOM 251 N SER A 17 -16.231 2.606 0.051 1.00 0.00 N ATOM 252 CA SER A 17 -16.342 3.243 1.375 1.00 0.00 C ATOM 253 C SER A 17 -17.230 2.446 2.332 1.00 0.00 C ATOM 254 O SER A 17 -17.885 3.007 3.211 1.00 0.00 O ATOM 255 CB SER A 17 -16.811 4.702 1.275 1.00 0.00 C ATOM 256 OG SER A 17 -17.985 4.839 0.488 1.00 0.00 O ATOM 0 H SER A 17 -15.267 2.492 -0.261 1.00 0.00 H new ATOM 0 HA SER A 17 -15.336 3.247 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.000 5.090 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.015 5.308 0.844 1.00 0.00 H new ATOM 0 HG SER A 17 -18.456 3.981 0.451 1.00 0.00 H new ATOM 262 N VAL A 18 -17.213 1.131 2.169 1.00 0.00 N ATOM 263 CA VAL A 18 -17.959 0.221 3.028 1.00 0.00 C ATOM 264 C VAL A 18 -17.130 -1.026 3.287 1.00 0.00 C ATOM 265 O VAL A 18 -16.224 -1.349 2.510 1.00 0.00 O ATOM 266 CB VAL A 18 -19.314 -0.193 2.416 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.351 0.902 2.599 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.160 -0.523 0.944 1.00 0.00 C ATOM 0 H VAL A 18 -16.680 0.663 1.436 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.164 0.751 3.958 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.657 -1.085 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.296 0.585 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.492 1.095 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.009 1.813 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.127 -0.812 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.787 0.352 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.455 -1.346 0.828 1.00 0.00 H new ATOM 278 N GLU A 19 -17.432 -1.714 4.376 1.00 0.00 N ATOM 279 CA GLU A 19 -16.667 -2.881 4.765 1.00 0.00 C ATOM 280 C GLU A 19 -17.070 -4.099 3.950 1.00 0.00 C ATOM 281 O GLU A 19 -18.237 -4.267 3.592 1.00 0.00 O ATOM 282 CB GLU A 19 -16.825 -3.162 6.241 1.00 0.00 C ATOM 283 CG GLU A 19 -15.859 -4.186 6.735 1.00 0.00 C ATOM 284 CD GLU A 19 -15.844 -4.326 8.239 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.647 -3.302 8.933 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.015 -5.459 8.728 1.00 0.00 O ATOM 0 H GLU A 19 -18.202 -1.482 5.004 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.617 -2.668 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.686 -2.237 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.842 -3.503 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.106 -5.150 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.858 -3.924 6.393 1.00 0.00 H new ATOM 293 N ILE A 20 -16.093 -4.948 3.663 1.00 0.00 N ATOM 294 CA ILE A 20 -16.293 -6.087 2.781 1.00 0.00 C ATOM 295 C ILE A 20 -15.684 -7.362 3.375 1.00 0.00 C ATOM 296 O ILE A 20 -14.913 -7.302 4.335 1.00 0.00 O ATOM 297 CB ILE A 20 -15.624 -5.849 1.426 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.154 -5.990 1.632 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.923 -4.457 0.916 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.416 -6.552 0.467 1.00 0.00 C ATOM 0 H ILE A 20 -15.146 -4.867 4.033 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.370 -6.205 2.661 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.998 -6.564 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.738 -5.011 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.981 -6.629 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.437 -4.311 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.000 -4.335 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.548 -3.721 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.355 -6.619 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.800 -7.546 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.553 -5.903 -0.398 1.00 0.00 H new ATOM 312 N VAL A 21 -16.029 -8.504 2.795 1.00 0.00 N ATOM 313 CA VAL A 21 -15.292 -9.738 3.008 1.00 0.00 C ATOM 314 C VAL A 21 -14.833 -10.243 1.647 1.00 0.00 C ATOM 315 O VAL A 21 -15.570 -10.900 0.909 1.00 0.00 O ATOM 316 CB VAL A 21 -16.128 -10.823 3.718 1.00 0.00 C ATOM 317 CG1 VAL A 21 -15.288 -12.059 3.998 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.749 -10.292 5.002 1.00 0.00 C ATOM 0 H VAL A 21 -16.826 -8.599 2.166 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.447 -9.528 3.664 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.939 -11.106 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.900 -12.809 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.913 -12.465 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.447 -11.790 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -17.331 -11.081 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.960 -9.964 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.401 -9.450 4.770 1.00 0.00 H new ATOM 328 N PRO A 22 -13.608 -9.865 1.314 1.00 0.00 N ATOM 329 CA PRO A 22 -13.003 -10.009 -0.014 1.00 0.00 C ATOM 330 C PRO A 22 -12.957 -11.417 -0.591 1.00 0.00 C ATOM 331 O PRO A 22 -13.287 -12.412 0.055 1.00 0.00 O ATOM 332 CB PRO A 22 -11.578 -9.499 0.195 1.00 0.00 C ATOM 333 CG PRO A 22 -11.381 -9.419 1.659 1.00 0.00 C ATOM 334 CD PRO A 22 -12.706 -9.191 2.241 1.00 0.00 C ATOM 0 HA PRO A 22 -13.607 -9.468 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.852 -10.173 -0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.441 -8.523 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.941 -10.339 2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.699 -8.608 1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.780 -9.607 3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.932 -8.128 2.319 1.00 0.00 H new ATOM 342 N ARG A 23 -12.487 -11.453 -1.831 1.00 0.00 N ATOM 343 CA ARG A 23 -12.346 -12.639 -2.619 1.00 0.00 C ATOM 344 C ARG A 23 -10.862 -12.984 -2.676 1.00 0.00 C ATOM 345 O ARG A 23 -10.257 -13.162 -3.733 1.00 0.00 O ATOM 346 CB ARG A 23 -12.968 -12.369 -3.974 1.00 0.00 C ATOM 347 CG ARG A 23 -14.485 -12.354 -3.932 1.00 0.00 C ATOM 348 CD ARG A 23 -15.084 -11.450 -4.983 1.00 0.00 C ATOM 349 NE ARG A 23 -16.546 -11.476 -4.955 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.326 -11.174 -5.994 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.792 -10.885 -7.176 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.642 -11.179 -5.852 1.00 0.00 N ATOM 0 H ARG A 23 -12.185 -10.612 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.860 -13.503 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.610 -11.410 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.636 -13.131 -4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.859 -13.368 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.815 -12.027 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.736 -10.429 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.734 -11.757 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.000 -11.743 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.779 -10.893 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.395 -10.655 -7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.057 -11.413 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.241 -10.949 -6.645 1.00 0.00 H new ATOM 366 N LEU A 24 -10.321 -12.920 -1.465 1.00 0.00 N ATOM 367 CA LEU A 24 -8.950 -13.285 -1.052 1.00 0.00 C ATOM 368 C LEU A 24 -8.025 -13.842 -2.150 1.00 0.00 C ATOM 369 O LEU A 24 -6.966 -13.257 -2.350 1.00 0.00 O ATOM 370 CB LEU A 24 -9.023 -14.257 0.141 1.00 0.00 C ATOM 371 CG LEU A 24 -7.973 -14.070 1.246 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.562 -14.236 0.704 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.141 -12.715 1.913 1.00 0.00 C ATOM 0 H LEU A 24 -10.868 -12.584 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.477 -12.343 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.011 -14.169 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.937 -15.274 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.130 -14.847 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.843 -14.097 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.449 -15.236 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.381 -13.494 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.389 -12.598 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.019 -11.926 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.136 -12.647 2.354 1.00 0.00 H new ATOM 385 N PRO A 25 -8.341 -14.993 -2.818 1.00 0.00 N ATOM 386 CA PRO A 25 -7.541 -15.534 -3.913 1.00 0.00 C ATOM 387 C PRO A 25 -6.865 -14.474 -4.793 1.00 0.00 C ATOM 388 O PRO A 25 -5.783 -14.700 -5.341 1.00 0.00 O ATOM 389 CB PRO A 25 -8.558 -16.314 -4.734 1.00 0.00 C ATOM 390 CG PRO A 25 -9.642 -16.699 -3.781 1.00 0.00 C ATOM 391 CD PRO A 25 -9.444 -15.910 -2.519 1.00 0.00 C ATOM 0 HA PRO A 25 -6.710 -16.122 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.951 -15.706 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.103 -17.196 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.621 -16.491 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.606 -17.768 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.348 -15.365 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.200 -16.561 -1.680 1.00 0.00 H new ATOM 399 N ASP A 26 -7.520 -13.329 -4.927 1.00 0.00 N ATOM 400 CA ASP A 26 -7.009 -12.221 -5.725 1.00 0.00 C ATOM 401 C ASP A 26 -6.858 -10.952 -4.897 1.00 0.00 C ATOM 402 O ASP A 26 -6.143 -10.023 -5.273 1.00 0.00 O ATOM 403 CB ASP A 26 -7.990 -11.946 -6.836 1.00 0.00 C ATOM 404 CG ASP A 26 -7.399 -12.170 -8.212 1.00 0.00 C ATOM 405 OD1 ASP A 26 -6.712 -11.262 -8.726 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.622 -13.252 -8.790 1.00 0.00 O ATOM 0 H ASP A 26 -8.420 -13.141 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.028 -12.499 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.862 -12.588 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.339 -10.916 -6.759 1.00 0.00 H new ATOM 411 N TYR A 27 -7.559 -10.946 -3.771 1.00 0.00 N ATOM 412 CA TYR A 27 -7.708 -9.768 -2.909 1.00 0.00 C ATOM 413 C TYR A 27 -8.529 -8.710 -3.595 1.00 0.00 C ATOM 414 O TYR A 27 -8.100 -7.582 -3.816 1.00 0.00 O ATOM 415 CB TYR A 27 -6.386 -9.192 -2.437 1.00 0.00 C ATOM 416 CG TYR A 27 -5.769 -9.990 -1.325 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.225 -9.847 -0.027 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.739 -10.879 -1.567 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.669 -10.567 1.007 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.172 -11.606 -0.540 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.640 -11.443 0.749 1.00 0.00 C ATOM 422 OH TYR A 27 -4.085 -12.164 1.784 1.00 0.00 O ATOM 0 H TYR A 27 -8.050 -11.769 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.230 -10.110 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.692 -9.150 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.541 -8.167 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.031 -9.159 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.372 -11.007 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.039 -10.445 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.368 -12.298 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.371 -12.738 1.437 1.00 0.00 H new ATOM 432 N ILE A 28 -9.723 -9.115 -3.922 1.00 0.00 N ATOM 433 CA ILE A 28 -10.698 -8.262 -4.557 1.00 0.00 C ATOM 434 C ILE A 28 -11.825 -8.004 -3.592 1.00 0.00 C ATOM 435 O ILE A 28 -12.029 -8.755 -2.642 1.00 0.00 O ATOM 436 CB ILE A 28 -11.272 -8.908 -5.837 1.00 0.00 C ATOM 437 CG1 ILE A 28 -10.971 -10.409 -5.820 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.668 -8.253 -7.066 1.00 0.00 C ATOM 439 CD1 ILE A 28 -11.768 -11.242 -6.783 1.00 0.00 C ATOM 0 H ILE A 28 -10.056 -10.064 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.205 -7.331 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.352 -8.762 -5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.912 -10.551 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.145 -10.785 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.079 -8.715 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.905 -7.189 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.586 -8.384 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.476 -12.288 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.830 -11.140 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.577 -10.903 -7.801 1.00 0.00 H new ATOM 451 N CYS A 29 -12.573 -6.976 -3.866 1.00 0.00 N ATOM 452 CA CYS A 29 -13.687 -6.600 -3.040 1.00 0.00 C ATOM 453 C CYS A 29 -14.936 -7.205 -3.654 1.00 0.00 C ATOM 454 O CYS A 29 -15.026 -7.351 -4.858 1.00 0.00 O ATOM 455 CB CYS A 29 -13.733 -5.070 -2.996 1.00 0.00 C ATOM 456 SG CYS A 29 -15.324 -4.301 -2.619 1.00 0.00 S ATOM 0 H CYS A 29 -12.428 -6.370 -4.673 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.603 -6.965 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.010 -4.732 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.397 -4.694 -3.962 1.00 0.00 H new ATOM 461 N PRO A 30 -15.898 -7.595 -2.836 1.00 0.00 N ATOM 462 CA PRO A 30 -17.086 -8.284 -3.298 1.00 0.00 C ATOM 463 C PRO A 30 -18.048 -7.260 -3.824 1.00 0.00 C ATOM 464 O PRO A 30 -18.953 -7.545 -4.601 1.00 0.00 O ATOM 465 CB PRO A 30 -17.621 -8.918 -2.016 1.00 0.00 C ATOM 466 CG PRO A 30 -17.249 -7.938 -0.954 1.00 0.00 C ATOM 467 CD PRO A 30 -15.951 -7.317 -1.405 1.00 0.00 C ATOM 0 HA PRO A 30 -16.918 -9.013 -4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.700 -9.067 -2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.172 -9.895 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.023 -7.181 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.132 -8.432 0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.932 -6.245 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.099 -7.752 -0.883 1.00 0.00 H new ATOM 475 N ARG A 31 -17.816 -6.045 -3.358 1.00 0.00 N ATOM 476 CA ARG A 31 -18.675 -4.930 -3.702 1.00 0.00 C ATOM 477 C ARG A 31 -18.297 -4.219 -5.002 1.00 0.00 C ATOM 478 O ARG A 31 -19.092 -3.454 -5.542 1.00 0.00 O ATOM 479 CB ARG A 31 -18.765 -3.989 -2.556 1.00 0.00 C ATOM 480 CG ARG A 31 -19.440 -4.694 -1.427 1.00 0.00 C ATOM 481 CD ARG A 31 -19.685 -3.816 -0.214 1.00 0.00 C ATOM 482 NE ARG A 31 -20.229 -4.588 0.903 1.00 0.00 N ATOM 483 CZ ARG A 31 -20.982 -4.079 1.879 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.342 -2.803 1.858 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.398 -4.863 2.865 1.00 0.00 N ATOM 0 H ARG A 31 -17.040 -5.808 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.662 -5.346 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.771 -3.657 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.326 -3.098 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.394 -5.089 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.832 -5.548 -1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.751 -3.343 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.377 -3.016 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 31 -20.018 -5.585 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.043 -2.201 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -21.918 -2.423 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.142 -5.850 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.974 -4.479 3.614 1.00 0.00 H new ATOM 499 N CYS A 32 -17.093 -4.463 -5.513 1.00 0.00 N ATOM 500 CA CYS A 32 -16.701 -3.887 -6.804 1.00 0.00 C ATOM 501 C CYS A 32 -15.678 -4.750 -7.546 1.00 0.00 C ATOM 502 O CYS A 32 -15.398 -4.507 -8.720 1.00 0.00 O ATOM 503 CB CYS A 32 -16.147 -2.468 -6.638 1.00 0.00 C ATOM 504 SG CYS A 32 -14.623 -2.375 -5.674 1.00 0.00 S ATOM 0 H CYS A 32 -16.382 -5.043 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 32 -17.610 -3.851 -7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -15.965 -2.043 -7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.905 -1.848 -6.159 1.00 0.00 H new ATOM 509 N GLU A 33 -15.123 -5.755 -6.857 1.00 0.00 N ATOM 510 CA GLU A 33 -14.102 -6.630 -7.440 1.00 0.00 C ATOM 511 C GLU A 33 -12.870 -5.837 -7.859 1.00 0.00 C ATOM 512 O GLU A 33 -12.207 -6.152 -8.844 1.00 0.00 O ATOM 513 CB GLU A 33 -14.669 -7.423 -8.611 1.00 0.00 C ATOM 514 CG GLU A 33 -13.993 -8.764 -8.788 1.00 0.00 C ATOM 515 CD GLU A 33 -14.501 -9.516 -9.994 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.050 -9.223 -11.116 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.358 -10.406 -9.823 1.00 0.00 O ATOM 0 H GLU A 33 -15.366 -5.982 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.793 -7.340 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.737 -7.576 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.559 -6.841 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.918 -8.615 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.152 -9.368 -7.895 1.00 0.00 H new ATOM 524 N SER A 34 -12.577 -4.798 -7.102 1.00 0.00 N ATOM 525 CA SER A 34 -11.324 -4.090 -7.230 1.00 0.00 C ATOM 526 C SER A 34 -10.513 -4.286 -5.957 1.00 0.00 C ATOM 527 O SER A 34 -11.086 -4.392 -4.868 1.00 0.00 O ATOM 528 CB SER A 34 -11.573 -2.635 -7.504 1.00 0.00 C ATOM 529 OG SER A 34 -12.463 -2.468 -8.596 1.00 0.00 O ATOM 0 H SER A 34 -13.199 -4.424 -6.385 1.00 0.00 H new ATOM 0 HA SER A 34 -10.757 -4.487 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.989 -2.160 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.629 -2.135 -7.720 1.00 0.00 H new ATOM 0 HG SER A 34 -12.611 -1.512 -8.754 1.00 0.00 H new ATOM 535 N GLY A 35 -9.195 -4.346 -6.085 1.00 0.00 N ATOM 536 CA GLY A 35 -8.354 -4.708 -4.958 1.00 0.00 C ATOM 537 C GLY A 35 -8.013 -3.544 -4.050 1.00 0.00 C ATOM 538 O GLY A 35 -6.936 -3.508 -3.459 1.00 0.00 O ATOM 0 H GLY A 35 -8.691 -4.150 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.858 -5.477 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.429 -5.147 -5.333 1.00 0.00 H new ATOM 542 N PHE A 36 -8.933 -2.601 -3.915 1.00 0.00 N ATOM 543 CA PHE A 36 -8.720 -1.450 -3.044 1.00 0.00 C ATOM 544 C PHE A 36 -9.168 -1.761 -1.626 1.00 0.00 C ATOM 545 O PHE A 36 -9.811 -0.942 -0.965 1.00 0.00 O ATOM 546 CB PHE A 36 -9.458 -0.231 -3.589 1.00 0.00 C ATOM 547 CG PHE A 36 -8.923 0.219 -4.912 1.00 0.00 C ATOM 548 CD1 PHE A 36 -7.795 1.017 -4.977 1.00 0.00 C ATOM 549 CD2 PHE A 36 -9.540 -0.164 -6.088 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.294 1.424 -6.193 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.042 0.243 -7.307 1.00 0.00 C ATOM 552 CZ PHE A 36 -7.917 1.037 -7.358 1.00 0.00 C ATOM 0 H PHE A 36 -9.833 -2.608 -4.395 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.654 -1.226 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.517 -0.467 -3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.381 0.587 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.303 1.323 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.421 -0.788 -6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.412 2.047 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.533 -0.060 -8.220 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.524 1.356 -8.312 1.00 0.00 H new ATOM 562 N ILE A 37 -8.812 -2.949 -1.170 1.00 0.00 N ATOM 563 CA ILE A 37 -9.169 -3.409 0.155 1.00 0.00 C ATOM 564 C ILE A 37 -7.947 -3.504 1.037 1.00 0.00 C ATOM 565 O ILE A 37 -6.917 -4.032 0.619 1.00 0.00 O ATOM 566 CB ILE A 37 -9.796 -4.795 0.137 1.00 0.00 C ATOM 567 CG1 ILE A 37 -8.986 -5.781 -0.698 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.193 -4.716 -0.355 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.678 -7.114 -0.896 1.00 0.00 C ATOM 0 H ILE A 37 -8.267 -3.621 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.884 -2.680 0.536 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.798 -5.170 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.782 -5.338 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.023 -5.948 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.633 -5.713 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.774 -4.069 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.200 -4.307 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.046 -7.766 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.858 -7.578 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.629 -6.958 -1.406 1.00 0.00 H new ATOM 581 N GLU A 38 -8.063 -3.026 2.248 1.00 0.00 N ATOM 582 CA GLU A 38 -7.033 -3.242 3.236 1.00 0.00 C ATOM 583 C GLU A 38 -7.645 -4.058 4.363 1.00 0.00 C ATOM 584 O GLU A 38 -8.842 -3.938 4.638 1.00 0.00 O ATOM 585 CB GLU A 38 -6.491 -1.906 3.755 1.00 0.00 C ATOM 586 CG GLU A 38 -7.437 -1.199 4.704 1.00 0.00 C ATOM 587 CD GLU A 38 -6.920 0.149 5.161 1.00 0.00 C ATOM 588 OE1 GLU A 38 -7.060 1.128 4.404 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.389 0.238 6.288 1.00 0.00 O ATOM 0 H GLU A 38 -8.861 -2.483 2.577 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.190 -3.778 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.542 -2.080 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.284 -1.253 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.401 -1.065 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.608 -1.831 5.576 1.00 0.00 H new ATOM 596 N GLU A 39 -6.857 -4.933 4.954 1.00 0.00 N ATOM 597 CA GLU A 39 -7.324 -5.743 6.069 1.00 0.00 C ATOM 598 C GLU A 39 -7.351 -4.899 7.344 1.00 0.00 C ATOM 599 O GLU A 39 -6.416 -4.143 7.620 1.00 0.00 O ATOM 600 CB GLU A 39 -6.401 -6.952 6.236 1.00 0.00 C ATOM 601 CG GLU A 39 -6.673 -7.795 7.451 1.00 0.00 C ATOM 602 CD GLU A 39 -5.588 -8.827 7.677 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.649 -9.904 7.054 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.646 -8.555 8.454 1.00 0.00 O ATOM 0 H GLU A 39 -5.889 -5.104 4.683 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.335 -6.098 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.486 -7.581 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.370 -6.600 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.751 -7.153 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.634 -8.297 7.337 1.00 0.00 H new ATOM 611 N LEU A 40 -8.425 -5.027 8.104 1.00 0.00 N ATOM 612 CA LEU A 40 -8.644 -4.207 9.290 1.00 0.00 C ATOM 613 C LEU A 40 -8.033 -4.866 10.525 1.00 0.00 C ATOM 614 O LEU A 40 -7.028 -4.335 11.043 1.00 0.00 O ATOM 615 CB LEU A 40 -10.146 -3.978 9.501 1.00 0.00 C ATOM 616 CG LEU A 40 -10.832 -2.933 8.594 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.122 -2.766 7.258 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.274 -3.335 8.347 1.00 0.00 C ATOM 619 OXT LEU A 40 -8.544 -5.922 10.957 1.00 0.00 O ATOM 0 H LEU A 40 -9.170 -5.699 7.920 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.155 -3.245 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.656 -4.932 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.300 -3.680 10.538 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.786 -1.977 9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.645 -2.020 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.096 -2.440 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.116 -3.718 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.754 -2.595 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.302 -4.309 7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.804 -3.390 9.298 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 16.907 14.793 -4.193 1.00 0.00 N ATOM 633 CA MET C 2 15.978 14.035 -5.062 1.00 0.00 C ATOM 634 C MET C 2 16.585 12.698 -5.482 1.00 0.00 C ATOM 635 O MET C 2 17.667 12.329 -5.018 1.00 0.00 O ATOM 636 CB MET C 2 15.566 14.868 -6.289 1.00 0.00 C ATOM 637 CG MET C 2 16.696 15.651 -6.950 1.00 0.00 C ATOM 638 SD MET C 2 17.966 14.605 -7.683 1.00 0.00 S ATOM 639 CE MET C 2 19.022 15.840 -8.434 1.00 0.00 C ATOM 0 HA MET C 2 15.078 13.824 -4.485 1.00 0.00 H new ATOM 0 HB2 MET C 2 15.125 14.201 -7.030 1.00 0.00 H new ATOM 0 HB3 MET C 2 14.787 15.569 -5.988 1.00 0.00 H new ATOM 0 HG2 MET C 2 16.277 16.295 -7.723 1.00 0.00 H new ATOM 0 HG3 MET C 2 17.158 16.303 -6.208 1.00 0.00 H new ATOM 0 HE1 MET C 2 19.859 15.350 -8.931 1.00 0.00 H new ATOM 0 HE2 MET C 2 18.450 16.411 -9.165 1.00 0.00 H new ATOM 0 HE3 MET C 2 19.400 16.512 -7.664 1.00 0.00 H new ATOM 651 N ALA C 3 15.879 11.978 -6.350 1.00 0.00 N ATOM 652 CA ALA C 3 16.288 10.640 -6.775 1.00 0.00 C ATOM 653 C ALA C 3 17.677 10.640 -7.405 1.00 0.00 C ATOM 654 O ALA C 3 18.067 11.599 -8.071 1.00 0.00 O ATOM 655 CB ALA C 3 15.274 10.068 -7.752 1.00 0.00 C ATOM 0 H ALA C 3 15.012 12.302 -6.777 1.00 0.00 H new ATOM 0 HA ALA C 3 16.330 10.013 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA C 3 15.589 9.072 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA C 3 14.298 10.007 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA C 3 15.206 10.715 -8.627 1.00 0.00 H new ATOM 661 N HIS C 4 18.421 9.561 -7.157 1.00 0.00 N ATOM 662 CA HIS C 4 19.760 9.352 -7.724 1.00 0.00 C ATOM 663 C HIS C 4 20.817 10.234 -7.052 1.00 0.00 C ATOM 664 O HIS C 4 21.971 9.828 -6.925 1.00 0.00 O ATOM 665 CB HIS C 4 19.766 9.582 -9.243 1.00 0.00 C ATOM 666 CG HIS C 4 21.096 9.327 -9.888 1.00 0.00 C ATOM 667 ND1 HIS C 4 22.031 10.316 -10.107 1.00 0.00 N ATOM 668 CD2 HIS C 4 21.646 8.184 -10.356 1.00 0.00 C ATOM 669 CE1 HIS C 4 23.097 9.791 -10.678 1.00 0.00 C ATOM 670 NE2 HIS C 4 22.891 8.499 -10.842 1.00 0.00 N ATOM 0 H HIS C 4 18.111 8.800 -6.553 1.00 0.00 H new ATOM 0 HA HIS C 4 20.021 8.312 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS C 4 19.020 8.934 -9.702 1.00 0.00 H new ATOM 0 HB3 HIS C 4 19.465 10.610 -9.447 1.00 0.00 H new ATOM 0 HD2 HIS C 4 21.191 7.205 -10.349 1.00 0.00 H new ATOM 0 HE1 HIS C 4 23.989 10.329 -10.963 1.00 0.00 H new ATOM 0 HE2 HIS C 4 23.549 7.841 -11.261 1.00 0.00 H new ATOM 679 N HIS C 5 20.432 11.430 -6.625 1.00 0.00 N ATOM 680 CA HIS C 5 21.370 12.351 -5.994 1.00 0.00 C ATOM 681 C HIS C 5 21.660 11.916 -4.562 1.00 0.00 C ATOM 682 O HIS C 5 21.202 12.531 -3.602 1.00 0.00 O ATOM 683 CB HIS C 5 20.819 13.782 -6.026 1.00 0.00 C ATOM 684 CG HIS C 5 21.814 14.835 -5.634 1.00 0.00 C ATOM 685 ND1 HIS C 5 22.677 15.428 -6.532 1.00 0.00 N ATOM 686 CD2 HIS C 5 22.067 15.417 -4.437 1.00 0.00 C ATOM 687 CE1 HIS C 5 23.413 16.327 -5.904 1.00 0.00 C ATOM 688 NE2 HIS C 5 23.061 16.339 -4.636 1.00 0.00 N ATOM 0 H HIS C 5 19.479 11.785 -6.704 1.00 0.00 H new ATOM 0 HA HIS C 5 22.305 12.333 -6.553 1.00 0.00 H new ATOM 0 HB2 HIS C 5 20.457 13.997 -7.031 1.00 0.00 H new ATOM 0 HB3 HIS C 5 19.960 13.843 -5.358 1.00 0.00 H new ATOM 0 HD2 HIS C 5 21.577 15.196 -3.501 1.00 0.00 H new ATOM 0 HE1 HIS C 5 24.174 16.947 -6.354 1.00 0.00 H new ATOM 0 HE2 HIS C 5 23.464 16.939 -3.916 1.00 0.00 H new ATOM 697 N HIS C 6 22.396 10.826 -4.436 1.00 0.00 N ATOM 698 CA HIS C 6 22.798 10.306 -3.141 1.00 0.00 C ATOM 699 C HIS C 6 24.236 9.822 -3.222 1.00 0.00 C ATOM 700 O HIS C 6 24.503 8.728 -3.721 1.00 0.00 O ATOM 701 CB HIS C 6 21.884 9.154 -2.698 1.00 0.00 C ATOM 702 CG HIS C 6 20.460 9.557 -2.448 1.00 0.00 C ATOM 703 ND1 HIS C 6 20.006 10.011 -1.228 1.00 0.00 N ATOM 704 CD2 HIS C 6 19.384 9.564 -3.272 1.00 0.00 C ATOM 705 CE1 HIS C 6 18.715 10.276 -1.312 1.00 0.00 C ATOM 706 NE2 HIS C 6 18.314 10.014 -2.542 1.00 0.00 N ATOM 0 H HIS C 6 22.732 10.277 -5.227 1.00 0.00 H new ATOM 0 HA HIS C 6 22.714 11.104 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS C 6 21.901 8.378 -3.463 1.00 0.00 H new ATOM 0 HB3 HIS C 6 22.290 8.713 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS C 6 19.372 9.270 -4.311 1.00 0.00 H new ATOM 0 HE1 HIS C 6 18.093 10.645 -0.510 1.00 0.00 H new ATOM 0 HE2 HIS C 6 17.363 10.128 -2.892 1.00 0.00 H new ATOM 715 N HIS C 7 25.163 10.649 -2.756 1.00 0.00 N ATOM 716 CA HIS C 7 26.579 10.310 -2.805 1.00 0.00 C ATOM 717 C HIS C 7 26.934 9.309 -1.710 1.00 0.00 C ATOM 718 O HIS C 7 27.575 9.645 -0.713 1.00 0.00 O ATOM 719 CB HIS C 7 27.451 11.564 -2.700 1.00 0.00 C ATOM 720 CG HIS C 7 27.536 12.351 -3.976 1.00 0.00 C ATOM 721 ND1 HIS C 7 28.666 12.380 -4.766 1.00 0.00 N ATOM 722 CD2 HIS C 7 26.630 13.143 -4.599 1.00 0.00 C ATOM 723 CE1 HIS C 7 28.453 13.155 -5.812 1.00 0.00 C ATOM 724 NE2 HIS C 7 27.224 13.632 -5.737 1.00 0.00 N ATOM 0 H HIS C 7 24.960 11.558 -2.340 1.00 0.00 H new ATOM 0 HA HIS C 7 26.779 9.844 -3.770 1.00 0.00 H new ATOM 0 HB2 HIS C 7 27.055 12.206 -1.914 1.00 0.00 H new ATOM 0 HB3 HIS C 7 28.456 11.272 -2.396 1.00 0.00 H new ATOM 0 HD2 HIS C 7 25.625 13.352 -4.263 1.00 0.00 H new ATOM 0 HE1 HIS C 7 29.164 13.364 -6.597 1.00 0.00 H new ATOM 0 HE2 HIS C 7 26.788 14.260 -6.412 1.00 0.00 H new ATOM 733 N HIS C 8 26.479 8.086 -1.905 1.00 0.00 N ATOM 734 CA HIS C 8 26.779 6.977 -1.020 1.00 0.00 C ATOM 735 C HIS C 8 26.727 5.697 -1.838 1.00 0.00 C ATOM 736 O HIS C 8 25.753 5.462 -2.556 1.00 0.00 O ATOM 737 CB HIS C 8 25.770 6.924 0.135 1.00 0.00 C ATOM 738 CG HIS C 8 26.097 5.910 1.191 1.00 0.00 C ATOM 739 ND1 HIS C 8 25.318 4.800 1.439 1.00 0.00 N ATOM 740 CD2 HIS C 8 27.116 5.855 2.082 1.00 0.00 C ATOM 741 CE1 HIS C 8 25.841 4.109 2.435 1.00 0.00 C ATOM 742 NE2 HIS C 8 26.933 4.727 2.842 1.00 0.00 N ATOM 0 H HIS C 8 25.883 7.832 -2.693 1.00 0.00 H new ATOM 0 HA HIS C 8 27.770 7.100 -0.583 1.00 0.00 H new ATOM 0 HB2 HIS C 8 25.713 7.909 0.598 1.00 0.00 H new ATOM 0 HB3 HIS C 8 24.782 6.705 -0.270 1.00 0.00 H new ATOM 0 HD2 HIS C 8 27.923 6.567 2.177 1.00 0.00 H new ATOM 0 HE1 HIS C 8 25.443 3.193 2.847 1.00 0.00 H new ATOM 0 HE2 HIS C 8 27.542 4.417 3.599 1.00 0.00 H new ATOM 751 N HIS C 9 27.773 4.888 -1.758 1.00 0.00 N ATOM 752 CA HIS C 9 27.873 3.701 -2.595 1.00 0.00 C ATOM 753 C HIS C 9 26.837 2.659 -2.205 1.00 0.00 C ATOM 754 O HIS C 9 26.975 1.973 -1.190 1.00 0.00 O ATOM 755 CB HIS C 9 29.271 3.085 -2.508 1.00 0.00 C ATOM 756 CG HIS C 9 29.492 1.971 -3.489 1.00 0.00 C ATOM 757 ND1 HIS C 9 29.195 0.650 -3.225 1.00 0.00 N ATOM 758 CD2 HIS C 9 29.984 1.995 -4.747 1.00 0.00 C ATOM 759 CE1 HIS C 9 29.494 -0.084 -4.280 1.00 0.00 C ATOM 760 NE2 HIS C 9 29.974 0.707 -5.218 1.00 0.00 N ATOM 0 H HIS C 9 28.561 5.030 -1.126 1.00 0.00 H new ATOM 0 HA HIS C 9 27.684 4.016 -3.621 1.00 0.00 H new ATOM 0 HB2 HIS C 9 30.015 3.863 -2.679 1.00 0.00 H new ATOM 0 HB3 HIS C 9 29.432 2.708 -1.498 1.00 0.00 H new ATOM 0 HD1 HIS C 9 28.805 0.296 -2.351 1.00 0.00 H new ATOM 0 HD2 HIS C 9 30.323 2.869 -5.284 1.00 0.00 H new ATOM 0 HE1 HIS C 9 29.367 -1.153 -4.361 1.00 0.00 H new ATOM 769 N VAL C 10 25.798 2.550 -3.009 1.00 0.00 N ATOM 770 CA VAL C 10 24.837 1.482 -2.845 1.00 0.00 C ATOM 771 C VAL C 10 25.294 0.274 -3.649 1.00 0.00 C ATOM 772 O VAL C 10 25.873 0.412 -4.725 1.00 0.00 O ATOM 773 CB VAL C 10 23.410 1.896 -3.270 1.00 0.00 C ATOM 774 CG1 VAL C 10 22.922 3.071 -2.438 1.00 0.00 C ATOM 775 CG2 VAL C 10 23.353 2.227 -4.751 1.00 0.00 C ATOM 0 H VAL C 10 25.599 3.187 -3.780 1.00 0.00 H new ATOM 0 HA VAL C 10 24.789 1.236 -1.784 1.00 0.00 H new ATOM 0 HB VAL C 10 22.748 1.049 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL C 10 21.916 3.347 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL C 10 22.908 2.790 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL C 10 23.592 3.920 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL C 10 22.337 2.515 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL C 10 24.033 3.052 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL C 10 23.648 1.353 -5.331 1.00 0.00 H new ATOM 785 N ASP C 11 25.068 -0.897 -3.103 1.00 0.00 N ATOM 786 CA ASP C 11 25.487 -2.137 -3.738 1.00 0.00 C ATOM 787 C ASP C 11 24.505 -3.251 -3.409 1.00 0.00 C ATOM 788 O ASP C 11 23.883 -3.820 -4.304 1.00 0.00 O ATOM 789 CB ASP C 11 26.914 -2.508 -3.315 1.00 0.00 C ATOM 790 CG ASP C 11 27.205 -2.208 -1.857 1.00 0.00 C ATOM 791 OD1 ASP C 11 26.748 -2.972 -0.984 1.00 0.00 O ATOM 792 OD2 ASP C 11 27.908 -1.211 -1.578 1.00 0.00 O ATOM 0 H ASP C 11 24.591 -1.024 -2.210 1.00 0.00 H new ATOM 0 HA ASP C 11 25.491 -1.995 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP C 11 27.076 -3.570 -3.499 1.00 0.00 H new ATOM 0 HB3 ASP C 11 27.623 -1.965 -3.939 1.00 0.00 H new ATOM 797 N ASP C 12 24.351 -3.555 -2.133 1.00 0.00 N ATOM 798 CA ASP C 12 23.286 -4.448 -1.698 1.00 0.00 C ATOM 799 C ASP C 12 21.999 -3.659 -1.531 1.00 0.00 C ATOM 800 O ASP C 12 20.905 -4.214 -1.516 1.00 0.00 O ATOM 801 CB ASP C 12 23.657 -5.169 -0.399 1.00 0.00 C ATOM 802 CG ASP C 12 24.459 -6.428 -0.658 1.00 0.00 C ATOM 803 OD1 ASP C 12 23.853 -7.454 -1.031 1.00 0.00 O ATOM 804 OD2 ASP C 12 25.698 -6.403 -0.505 1.00 0.00 O ATOM 0 H ASP C 12 24.944 -3.201 -1.382 1.00 0.00 H new ATOM 0 HA ASP C 12 23.140 -5.213 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP C 12 24.233 -4.497 0.237 1.00 0.00 H new ATOM 0 HB3 ASP C 12 22.748 -5.424 0.147 1.00 0.00 H new ATOM 809 N ASP C 13 22.151 -2.347 -1.419 1.00 0.00 N ATOM 810 CA ASP C 13 21.016 -1.431 -1.376 1.00 0.00 C ATOM 811 C ASP C 13 20.779 -0.846 -2.760 1.00 0.00 C ATOM 812 O ASP C 13 19.957 0.050 -2.940 1.00 0.00 O ATOM 813 CB ASP C 13 21.262 -0.303 -0.368 1.00 0.00 C ATOM 814 CG ASP C 13 21.347 -0.795 1.062 1.00 0.00 C ATOM 815 OD1 ASP C 13 22.324 -1.500 1.396 1.00 0.00 O ATOM 816 OD2 ASP C 13 20.436 -0.485 1.862 1.00 0.00 O ATOM 0 H ASP C 13 23.059 -1.887 -1.356 1.00 0.00 H new ATOM 0 HA ASP C 13 20.134 -1.987 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP C 13 22.188 0.211 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP C 13 20.458 0.429 -0.447 1.00 0.00 H new ATOM 821 N ASP C 14 21.512 -1.374 -3.735 1.00 0.00 N ATOM 822 CA ASP C 14 21.399 -0.952 -5.128 1.00 0.00 C ATOM 823 C ASP C 14 20.119 -1.511 -5.745 1.00 0.00 C ATOM 824 O ASP C 14 19.732 -1.140 -6.857 1.00 0.00 O ATOM 825 CB ASP C 14 22.635 -1.433 -5.897 1.00 0.00 C ATOM 826 CG ASP C 14 22.573 -1.171 -7.391 1.00 0.00 C ATOM 827 OD1 ASP C 14 22.843 -0.030 -7.815 1.00 0.00 O ATOM 828 OD2 ASP C 14 22.277 -2.115 -8.153 1.00 0.00 O ATOM 0 H ASP C 14 22.203 -2.108 -3.582 1.00 0.00 H new ATOM 0 HA ASP C 14 21.348 0.135 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP C 14 23.518 -0.942 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP C 14 22.760 -2.503 -5.731 1.00 0.00 H new ATOM 833 N LYS C 15 19.471 -2.401 -4.997 1.00 0.00 N ATOM 834 CA LYS C 15 18.215 -3.012 -5.408 1.00 0.00 C ATOM 835 C LYS C 15 17.205 -1.969 -5.861 1.00 0.00 C ATOM 836 O LYS C 15 17.146 -0.871 -5.304 1.00 0.00 O ATOM 837 CB LYS C 15 17.635 -3.808 -4.254 1.00 0.00 C ATOM 838 CG LYS C 15 18.536 -4.939 -3.824 1.00 0.00 C ATOM 839 CD LYS C 15 18.023 -5.627 -2.571 1.00 0.00 C ATOM 840 CE LYS C 15 18.900 -6.805 -2.188 1.00 0.00 C ATOM 841 NZ LYS C 15 18.963 -7.825 -3.267 1.00 0.00 N ATOM 0 H LYS C 15 19.805 -2.718 -4.087 1.00 0.00 H new ATOM 0 HA LYS C 15 18.423 -3.670 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS C 15 17.463 -3.143 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS C 15 16.665 -4.211 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS C 15 18.615 -5.667 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS C 15 19.540 -4.555 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS C 15 17.991 -4.912 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS C 15 17.001 -5.970 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS C 15 19.906 -6.451 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS C 15 18.514 -7.264 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 19.334 -8.716 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 18.009 -7.984 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 19.590 -7.489 -4.026 1.00 0.00 H new ATOM 855 N MET C 16 16.395 -2.325 -6.843 1.00 0.00 N ATOM 856 CA MET C 16 15.446 -1.390 -7.416 1.00 0.00 C ATOM 857 C MET C 16 14.202 -2.117 -7.900 1.00 0.00 C ATOM 858 O MET C 16 14.272 -2.982 -8.773 1.00 0.00 O ATOM 859 CB MET C 16 16.098 -0.609 -8.557 1.00 0.00 C ATOM 860 CG MET C 16 15.244 0.534 -9.082 1.00 0.00 C ATOM 861 SD MET C 16 16.129 1.595 -10.242 1.00 0.00 S ATOM 862 CE MET C 16 17.443 2.226 -9.197 1.00 0.00 C ATOM 0 H MET C 16 16.376 -3.256 -7.260 1.00 0.00 H new ATOM 0 HA MET C 16 15.143 -0.684 -6.643 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.052 -0.210 -8.213 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.316 -1.294 -9.376 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.360 0.125 -9.572 1.00 0.00 H new ATOM 0 HG3 MET C 16 14.894 1.135 -8.243 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.595 3.285 -9.404 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.169 2.096 -8.150 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.364 1.680 -9.401 1.00 0.00 H new ATOM 872 N LEU C 17 13.069 -1.772 -7.310 1.00 0.00 N ATOM 873 CA LEU C 17 11.797 -2.357 -7.692 1.00 0.00 C ATOM 874 C LEU C 17 10.996 -1.349 -8.491 1.00 0.00 C ATOM 875 O LEU C 17 10.963 -0.164 -8.147 1.00 0.00 O ATOM 876 CB LEU C 17 11.005 -2.770 -6.476 1.00 0.00 C ATOM 877 CG LEU C 17 11.805 -3.251 -5.273 1.00 0.00 C ATOM 878 CD1 LEU C 17 10.973 -3.096 -4.019 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.223 -4.698 -5.450 1.00 0.00 C ATOM 0 H LEU C 17 13.006 -1.084 -6.559 1.00 0.00 H new ATOM 0 HA LEU C 17 11.994 -3.243 -8.296 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.395 -1.923 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.320 -3.565 -6.770 1.00 0.00 H new ATOM 0 HG LEU C 17 12.708 -2.646 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.545 -3.440 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.710 -2.047 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.063 -3.689 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.793 -5.021 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.336 -5.323 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.841 -4.792 -6.343 1.00 0.00 H new ATOM 891 N GLU C 18 10.355 -1.804 -9.553 1.00 0.00 N ATOM 892 CA GLU C 18 9.494 -0.933 -10.313 1.00 0.00 C ATOM 893 C GLU C 18 8.151 -0.921 -9.644 1.00 0.00 C ATOM 894 O GLU C 18 7.334 -1.820 -9.825 1.00 0.00 O ATOM 895 CB GLU C 18 9.396 -1.390 -11.744 1.00 0.00 C ATOM 896 CG GLU C 18 8.732 -0.389 -12.673 1.00 0.00 C ATOM 897 CD GLU C 18 8.716 -0.851 -14.112 1.00 0.00 C ATOM 898 OE1 GLU C 18 9.744 -0.682 -14.802 1.00 0.00 O ATOM 899 OE2 GLU C 18 7.682 -1.385 -14.564 1.00 0.00 O ATOM 0 H GLU C 18 10.416 -2.761 -9.901 1.00 0.00 H new ATOM 0 HA GLU C 18 9.901 0.078 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.398 -1.603 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.838 -2.326 -11.777 1.00 0.00 H new ATOM 0 HG2 GLU C 18 7.709 -0.214 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.256 0.565 -12.608 1.00 0.00 H new ATOM 906 N VAL C 19 7.948 0.086 -8.831 1.00 0.00 N ATOM 907 CA VAL C 19 6.780 0.155 -8.010 1.00 0.00 C ATOM 908 C VAL C 19 5.613 0.618 -8.846 1.00 0.00 C ATOM 909 O VAL C 19 5.533 1.770 -9.226 1.00 0.00 O ATOM 910 CB VAL C 19 7.018 1.112 -6.829 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.709 1.666 -6.297 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.758 0.409 -5.713 1.00 0.00 C ATOM 0 H VAL C 19 8.588 0.873 -8.725 1.00 0.00 H new ATOM 0 HA VAL C 19 6.558 -0.832 -7.605 1.00 0.00 H new ATOM 0 HB VAL C 19 7.624 1.940 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.911 2.339 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.197 2.213 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.078 0.845 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.916 1.103 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.170 -0.440 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.722 0.057 -6.081 1.00 0.00 H new ATOM 922 N LEU C 20 4.743 -0.287 -9.190 1.00 0.00 N ATOM 923 CA LEU C 20 3.556 0.086 -9.904 1.00 0.00 C ATOM 924 C LEU C 20 2.468 0.310 -8.869 1.00 0.00 C ATOM 925 O LEU C 20 2.469 -0.349 -7.839 1.00 0.00 O ATOM 926 CB LEU C 20 3.161 -0.999 -10.908 1.00 0.00 C ATOM 927 CG LEU C 20 4.277 -1.901 -11.441 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.698 -2.943 -12.380 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.343 -1.100 -12.155 1.00 0.00 C ATOM 0 H LEU C 20 4.832 -1.283 -8.989 1.00 0.00 H new ATOM 0 HA LEU C 20 3.719 0.995 -10.483 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.408 -1.634 -10.440 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.684 -0.513 -11.759 1.00 0.00 H new ATOM 0 HG LEU C 20 4.743 -2.397 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.499 -3.580 -12.755 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.970 -3.552 -11.844 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.208 -2.446 -13.217 1.00 0.00 H new ATOM 0 HD21 LEU C 20 6.120 -1.772 -12.520 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.897 -0.569 -12.996 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.782 -0.381 -11.464 1.00 0.00 H new ATOM 941 N VAL C 21 1.581 1.261 -9.100 1.00 0.00 N ATOM 942 CA VAL C 21 0.614 1.669 -8.080 1.00 0.00 C ATOM 943 C VAL C 21 -0.672 2.213 -8.727 1.00 0.00 C ATOM 944 O VAL C 21 -0.628 3.177 -9.488 1.00 0.00 O ATOM 945 CB VAL C 21 1.241 2.762 -7.173 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.232 3.369 -6.230 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.406 2.206 -6.375 1.00 0.00 C ATOM 0 H VAL C 21 1.505 1.769 -9.981 1.00 0.00 H new ATOM 0 HA VAL C 21 0.357 0.795 -7.482 1.00 0.00 H new ATOM 0 HB VAL C 21 1.599 3.547 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.718 4.128 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.573 3.827 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.179 2.591 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.826 2.993 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.058 1.388 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.172 1.838 -7.058 1.00 0.00 H new ATOM 957 N LYS C 22 -1.815 1.607 -8.422 1.00 0.00 N ATOM 958 CA LYS C 22 -3.090 2.055 -8.966 1.00 0.00 C ATOM 959 C LYS C 22 -3.839 2.820 -7.887 1.00 0.00 C ATOM 960 O LYS C 22 -4.091 2.307 -6.799 1.00 0.00 O ATOM 961 CB LYS C 22 -3.972 0.891 -9.452 1.00 0.00 C ATOM 962 CG LYS C 22 -3.303 -0.098 -10.403 1.00 0.00 C ATOM 963 CD LYS C 22 -4.283 -1.186 -10.864 1.00 0.00 C ATOM 964 CE LYS C 22 -5.618 -0.626 -11.320 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.487 -1.695 -11.883 1.00 0.00 N ATOM 0 H LYS C 22 -1.883 0.802 -7.799 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.876 2.685 -9.829 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.330 0.343 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.849 1.307 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.916 0.436 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.450 -0.561 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.833 -1.750 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.449 -1.888 -10.047 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -6.122 -0.150 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.454 0.146 -12.072 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -7.484 -1.407 -11.809 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.244 -1.849 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.341 -2.577 -11.351 1.00 0.00 H new ATOM 979 N THR C 23 -4.161 4.055 -8.203 1.00 0.00 N ATOM 980 CA THR C 23 -4.864 4.946 -7.295 1.00 0.00 C ATOM 981 C THR C 23 -6.318 4.522 -7.083 1.00 0.00 C ATOM 982 O THR C 23 -6.715 4.213 -5.976 1.00 0.00 O ATOM 983 CB THR C 23 -4.848 6.379 -7.837 1.00 0.00 C ATOM 984 OG1 THR C 23 -3.545 6.689 -8.355 1.00 0.00 O ATOM 985 CG2 THR C 23 -5.223 7.369 -6.742 1.00 0.00 C ATOM 0 H THR C 23 -3.942 4.477 -9.105 1.00 0.00 H new ATOM 0 HA THR C 23 -4.344 4.895 -6.338 1.00 0.00 H new ATOM 0 HB THR C 23 -5.581 6.457 -8.640 1.00 0.00 H new ATOM 0 HG1 THR C 23 -3.540 7.606 -8.702 1.00 0.00 H new ATOM 0 HG21 THR C 23 -5.206 8.381 -7.146 1.00 0.00 H new ATOM 0 HG22 THR C 23 -6.223 7.142 -6.373 1.00 0.00 H new ATOM 0 HG23 THR C 23 -4.508 7.293 -5.923 1.00 0.00 H new ATOM 993 N LEU C 24 -7.112 4.530 -8.147 1.00 0.00 N ATOM 994 CA LEU C 24 -8.531 4.171 -8.051 1.00 0.00 C ATOM 995 C LEU C 24 -8.964 3.451 -9.307 1.00 0.00 C ATOM 996 O LEU C 24 -10.112 3.541 -9.741 1.00 0.00 O ATOM 997 CB LEU C 24 -9.361 5.419 -7.879 1.00 0.00 C ATOM 998 CG LEU C 24 -10.113 5.583 -6.543 1.00 0.00 C ATOM 999 CD1 LEU C 24 -10.962 4.358 -6.232 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -9.168 5.878 -5.384 1.00 0.00 C ATOM 0 H LEU C 24 -6.803 4.780 -9.086 1.00 0.00 H new ATOM 0 HA LEU C 24 -8.675 3.517 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -8.706 6.281 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.093 5.452 -8.686 1.00 0.00 H new ATOM 0 HG LEU C 24 -10.772 6.443 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -11.479 4.505 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -11.694 4.212 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.321 3.479 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -9.743 5.985 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -8.459 5.058 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -8.626 6.802 -5.583 1.00 0.00 H new ATOM 1012 N ASP C 25 -7.984 2.812 -9.907 1.00 0.00 N ATOM 1013 CA ASP C 25 -8.163 1.931 -11.069 1.00 0.00 C ATOM 1014 C ASP C 25 -8.160 2.721 -12.362 1.00 0.00 C ATOM 1015 O ASP C 25 -7.775 2.206 -13.409 1.00 0.00 O ATOM 1016 CB ASP C 25 -9.432 1.073 -10.957 1.00 0.00 C ATOM 1017 CG ASP C 25 -9.662 0.216 -12.185 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -8.932 -0.782 -12.361 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -10.576 0.531 -12.976 1.00 0.00 O ATOM 0 H ASP C 25 -7.013 2.884 -9.603 1.00 0.00 H new ATOM 0 HA ASP C 25 -7.312 1.250 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -9.357 0.432 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -10.294 1.723 -10.804 1.00 0.00 H new ATOM 1024 N SER C 26 -8.574 3.977 -12.288 1.00 0.00 N ATOM 1025 CA SER C 26 -8.455 4.865 -13.426 1.00 0.00 C ATOM 1026 C SER C 26 -6.980 5.032 -13.780 1.00 0.00 C ATOM 1027 O SER C 26 -6.594 4.983 -14.950 1.00 0.00 O ATOM 1028 CB SER C 26 -9.095 6.222 -13.116 1.00 0.00 C ATOM 1029 OG SER C 26 -9.007 7.103 -14.222 1.00 0.00 O ATOM 0 H SER C 26 -8.991 4.398 -11.458 1.00 0.00 H new ATOM 0 HA SER C 26 -8.981 4.434 -14.278 1.00 0.00 H new ATOM 0 HB2 SER C 26 -10.141 6.079 -12.846 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.602 6.669 -12.253 1.00 0.00 H new ATOM 0 HG SER C 26 -9.426 7.959 -13.993 1.00 0.00 H new ATOM 1035 N GLN C 27 -6.155 5.194 -12.753 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.739 5.351 -12.941 1.00 0.00 C ATOM 1037 C GLN C 27 -3.962 4.106 -12.534 1.00 0.00 C ATOM 1038 O GLN C 27 -4.505 3.133 -12.005 1.00 0.00 O ATOM 1039 CB GLN C 27 -4.239 6.543 -12.145 1.00 0.00 C ATOM 1040 CG GLN C 27 -5.033 7.786 -12.443 1.00 0.00 C ATOM 1041 CD GLN C 27 -4.652 8.962 -11.587 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -3.510 9.086 -11.140 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -5.603 9.843 -11.368 1.00 0.00 N ATOM 0 H GLN C 27 -6.456 5.219 -11.779 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.571 5.514 -14.005 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -4.299 6.320 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -3.188 6.719 -12.375 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.898 8.051 -13.492 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -6.093 7.573 -12.302 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -6.534 9.697 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -5.410 10.673 -10.807 1.00 0.00 H new ATOM 1052 N THR C 28 -2.681 4.202 -12.778 1.00 0.00 N ATOM 1053 CA THR C 28 -1.682 3.180 -12.496 1.00 0.00 C ATOM 1054 C THR C 28 -0.323 3.829 -12.733 1.00 0.00 C ATOM 1055 O THR C 28 0.065 4.043 -13.883 1.00 0.00 O ATOM 1056 CB THR C 28 -1.791 1.968 -13.437 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.964 1.208 -13.138 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.544 1.112 -13.310 1.00 0.00 C ATOM 0 H THR C 28 -2.275 5.037 -13.202 1.00 0.00 H new ATOM 0 HA THR C 28 -1.825 2.820 -11.477 1.00 0.00 H new ATOM 0 HB THR C 28 -1.873 2.318 -14.466 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.577 1.751 -12.599 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.622 0.254 -13.977 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.332 1.702 -13.580 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.444 0.764 -12.282 1.00 0.00 H new ATOM 1066 N ARG C 29 0.382 4.198 -11.688 1.00 0.00 N ATOM 1067 CA ARG C 29 1.631 4.903 -11.884 1.00 0.00 C ATOM 1068 C ARG C 29 2.790 4.176 -11.237 1.00 0.00 C ATOM 1069 O ARG C 29 2.606 3.440 -10.277 1.00 0.00 O ATOM 1070 CB ARG C 29 1.545 6.321 -11.333 1.00 0.00 C ATOM 1071 CG ARG C 29 0.581 7.212 -12.070 1.00 0.00 C ATOM 1072 CD ARG C 29 0.584 8.614 -11.490 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.370 9.502 -12.149 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.140 10.797 -12.359 1.00 0.00 C ATOM 1075 NH1 ARG C 29 1.038 11.325 -12.045 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.078 11.562 -12.901 1.00 0.00 N ATOM 0 H ARG C 29 0.122 4.028 -10.716 1.00 0.00 H new ATOM 0 HA ARG C 29 1.809 4.946 -12.958 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.250 6.274 -10.285 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.537 6.772 -11.365 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.850 7.251 -13.125 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.424 6.793 -12.013 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.351 8.563 -10.427 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.585 9.036 -11.577 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.258 9.111 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG C 29 1.769 10.738 -11.642 1.00 0.00 H new ATOM 0 HH12 ARG C 29 1.212 12.317 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.979 11.159 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -0.898 12.553 -13.060 1.00 0.00 H new ATOM 1090 N THR C 30 3.979 4.385 -11.772 1.00 0.00 N ATOM 1091 CA THR C 30 5.146 3.737 -11.300 1.00 0.00 C ATOM 1092 C THR C 30 5.991 4.644 -10.412 1.00 0.00 C ATOM 1093 O THR C 30 6.146 5.838 -10.681 1.00 0.00 O ATOM 1094 CB THR C 30 5.948 3.286 -12.499 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.969 4.304 -13.511 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.382 2.006 -13.063 1.00 0.00 C ATOM 0 H THR C 30 4.143 5.020 -12.554 1.00 0.00 H new ATOM 0 HA THR C 30 4.852 2.886 -10.686 1.00 0.00 H new ATOM 0 HB THR C 30 6.971 3.103 -12.171 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.495 3.993 -14.277 1.00 0.00 H new ATOM 0 HG21 THR C 30 5.972 1.696 -13.926 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.416 1.227 -12.302 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.349 2.169 -13.370 1.00 0.00 H new ATOM 1104 N PHE C 31 6.551 4.059 -9.366 1.00 0.00 N ATOM 1105 CA PHE C 31 7.291 4.798 -8.357 1.00 0.00 C ATOM 1106 C PHE C 31 8.584 4.090 -8.054 1.00 0.00 C ATOM 1107 O PHE C 31 8.856 3.700 -6.920 1.00 0.00 O ATOM 1108 CB PHE C 31 6.467 4.924 -7.090 1.00 0.00 C ATOM 1109 CG PHE C 31 5.202 5.652 -7.300 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.237 6.865 -7.931 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.002 5.152 -6.839 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.086 7.591 -8.114 1.00 0.00 C ATOM 1113 CE2 PHE C 31 2.839 5.860 -7.022 1.00 0.00 C ATOM 1114 CZ PHE C 31 2.876 7.089 -7.662 1.00 0.00 C ATOM 0 H PHE C 31 6.505 3.055 -9.192 1.00 0.00 H new ATOM 0 HA PHE C 31 7.506 5.796 -8.738 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.248 3.928 -6.704 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.055 5.438 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.178 7.255 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE C 31 3.977 4.199 -6.332 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.124 8.550 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE C 31 1.900 5.461 -6.669 1.00 0.00 H new ATOM 0 HZ PHE C 31 1.966 7.653 -7.808 1.00 0.00 H new ATOM 1124 N ILE C 32 9.359 3.913 -9.091 1.00 0.00 N ATOM 1125 CA ILE C 32 10.579 3.149 -9.022 1.00 0.00 C ATOM 1126 C ILE C 32 11.558 3.642 -8.007 1.00 0.00 C ATOM 1127 O ILE C 32 12.065 4.768 -8.043 1.00 0.00 O ATOM 1128 CB ILE C 32 11.235 3.039 -10.376 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.323 2.270 -11.206 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.496 2.252 -10.289 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.623 3.029 -12.300 1.00 0.00 C ATOM 0 H ILE C 32 9.161 4.297 -10.015 1.00 0.00 H new ATOM 0 HA ILE C 32 10.272 2.158 -8.687 1.00 0.00 H new ATOM 0 HB ILE C 32 11.453 4.034 -10.765 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.880 1.451 -11.660 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.567 1.823 -10.561 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.952 2.185 -11.277 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.186 2.744 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.275 1.249 -9.923 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.970 2.353 -12.852 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.029 3.831 -11.863 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.363 3.454 -12.979 1.00 0.00 H new ATOM 1143 N VAL C 33 11.799 2.730 -7.114 1.00 0.00 N ATOM 1144 CA VAL C 33 12.701 2.914 -5.994 1.00 0.00 C ATOM 1145 C VAL C 33 13.455 1.653 -5.677 1.00 0.00 C ATOM 1146 O VAL C 33 13.436 0.694 -6.437 1.00 0.00 O ATOM 1147 CB VAL C 33 11.931 3.345 -4.746 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.422 4.720 -4.980 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.785 2.391 -4.466 1.00 0.00 C ATOM 0 H VAL C 33 11.366 1.807 -7.136 1.00 0.00 H new ATOM 0 HA VAL C 33 13.410 3.690 -6.283 1.00 0.00 H new ATOM 0 HB VAL C 33 12.586 3.328 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.867 5.056 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.261 5.393 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.765 4.722 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.250 2.716 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.102 2.383 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.178 1.387 -4.307 1.00 0.00 H new ATOM 1159 N GLY C 34 14.103 1.664 -4.539 1.00 0.00 N ATOM 1160 CA GLY C 34 14.868 0.516 -4.123 1.00 0.00 C ATOM 1161 C GLY C 34 14.109 -0.392 -3.183 1.00 0.00 C ATOM 1162 O GLY C 34 13.161 0.037 -2.525 1.00 0.00 O ATOM 0 H GLY C 34 14.116 2.449 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.168 -0.052 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY C 34 15.782 0.853 -3.634 1.00 0.00 H new ATOM 1166 N ALA C 35 14.557 -1.639 -3.106 1.00 0.00 N ATOM 1167 CA ALA C 35 13.894 -2.673 -2.321 1.00 0.00 C ATOM 1168 C ALA C 35 13.810 -2.310 -0.849 1.00 0.00 C ATOM 1169 O ALA C 35 12.891 -2.719 -0.144 1.00 0.00 O ATOM 1170 CB ALA C 35 14.633 -3.981 -2.473 1.00 0.00 C ATOM 0 H ALA C 35 15.395 -1.963 -3.589 1.00 0.00 H new ATOM 0 HA ALA C 35 12.876 -2.767 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.134 -4.751 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.641 -4.274 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.658 -3.863 -2.121 1.00 0.00 H new ATOM 1176 N GLN C 36 14.791 -1.572 -0.385 1.00 0.00 N ATOM 1177 CA GLN C 36 14.821 -1.137 0.996 1.00 0.00 C ATOM 1178 C GLN C 36 15.273 0.303 1.055 1.00 0.00 C ATOM 1179 O GLN C 36 15.910 0.738 2.014 1.00 0.00 O ATOM 1180 CB GLN C 36 15.751 -2.041 1.806 1.00 0.00 C ATOM 1181 CG GLN C 36 17.163 -2.113 1.246 1.00 0.00 C ATOM 1182 CD GLN C 36 17.770 -3.495 1.365 1.00 0.00 C ATOM 1183 OE1 GLN C 36 18.596 -3.892 0.548 1.00 0.00 O ATOM 1184 NE2 GLN C 36 17.361 -4.243 2.376 1.00 0.00 N ATOM 0 H GLN C 36 15.584 -1.258 -0.945 1.00 0.00 H new ATOM 0 HA GLN C 36 13.823 -1.207 1.429 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.794 -1.679 2.833 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.330 -3.046 1.840 1.00 0.00 H new ATOM 0 HG2 GLN C 36 17.149 -1.816 0.197 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.795 -1.397 1.772 1.00 0.00 H new ATOM 0 HE21 GLN C 36 16.673 -3.878 3.035 1.00 0.00 H new ATOM 0 HE22 GLN C 36 17.734 -5.185 2.497 1.00 0.00 H new ATOM 1193 N MET C 37 14.925 1.040 0.013 1.00 0.00 N ATOM 1194 CA MET C 37 15.346 2.414 -0.107 1.00 0.00 C ATOM 1195 C MET C 37 14.634 3.294 0.910 1.00 0.00 C ATOM 1196 O MET C 37 15.229 3.704 1.906 1.00 0.00 O ATOM 1197 CB MET C 37 15.082 2.909 -1.511 1.00 0.00 C ATOM 1198 CG MET C 37 16.237 3.685 -2.109 1.00 0.00 C ATOM 1199 SD MET C 37 16.557 5.243 -1.254 1.00 0.00 S ATOM 1200 CE MET C 37 18.038 5.794 -2.099 1.00 0.00 C ATOM 0 H MET C 37 14.351 0.703 -0.760 1.00 0.00 H new ATOM 0 HA MET C 37 16.416 2.468 0.096 1.00 0.00 H new ATOM 0 HB2 MET C 37 14.858 2.056 -2.152 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.195 3.543 -1.503 1.00 0.00 H new ATOM 0 HG2 MET C 37 17.136 3.069 -2.079 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.026 3.889 -3.159 1.00 0.00 H new ATOM 0 HE1 MET C 37 18.361 6.748 -1.682 1.00 0.00 H new ATOM 0 HE2 MET C 37 18.828 5.055 -1.968 1.00 0.00 H new ATOM 0 HE3 MET C 37 17.827 5.915 -3.161 1.00 0.00 H new ATOM 1210 N ASN C 38 13.359 3.577 0.672 1.00 0.00 N ATOM 1211 CA ASN C 38 12.614 4.449 1.552 1.00 0.00 C ATOM 1212 C ASN C 38 11.308 3.840 1.995 1.00 0.00 C ATOM 1213 O ASN C 38 11.264 3.139 2.992 1.00 0.00 O ATOM 1214 CB ASN C 38 12.354 5.787 0.869 1.00 0.00 C ATOM 1215 CG ASN C 38 13.563 6.685 0.784 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.510 6.501 1.674 1.00 0.00 O flip ATOM 1217 ND2 ASN C 38 13.645 7.540 -0.096 1.00 0.00 N flip ATOM 0 H ASN C 38 12.828 3.215 -0.120 1.00 0.00 H new ATOM 0 HA ASN C 38 13.223 4.600 2.443 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.982 5.601 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.565 6.310 1.409 1.00 0.00 H new ATOM 0 HD21 ASN C 38 12.888 7.653 -0.770 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.470 8.137 -0.152 1.00 0.00 H new ATOM 1224 N VAL C 39 10.274 4.114 1.220 1.00 0.00 N ATOM 1225 CA VAL C 39 8.878 3.897 1.588 1.00 0.00 C ATOM 1226 C VAL C 39 8.333 5.033 2.446 1.00 0.00 C ATOM 1227 O VAL C 39 7.157 5.364 2.365 1.00 0.00 O ATOM 1228 CB VAL C 39 8.561 2.548 2.221 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.581 2.685 3.686 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.190 2.105 1.782 1.00 0.00 C ATOM 0 H VAL C 39 10.382 4.507 0.285 1.00 0.00 H new ATOM 0 HA VAL C 39 8.362 3.886 0.628 1.00 0.00 H new ATOM 0 HB VAL C 39 9.302 1.811 1.910 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.355 1.722 4.145 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.568 3.017 4.007 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.835 3.418 3.993 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.958 1.140 2.232 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.451 2.841 2.100 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.168 2.014 0.696 1.00 0.00 H new ATOM 1240 N LYS C 40 9.193 5.646 3.231 1.00 0.00 N ATOM 1241 CA LYS C 40 8.826 6.776 4.028 1.00 0.00 C ATOM 1242 C LYS C 40 8.829 8.000 3.152 1.00 0.00 C ATOM 1243 O LYS C 40 7.793 8.567 2.813 1.00 0.00 O ATOM 1244 CB LYS C 40 9.834 6.947 5.160 1.00 0.00 C ATOM 1245 CG LYS C 40 10.445 5.661 5.672 1.00 0.00 C ATOM 1246 CD LYS C 40 11.827 5.414 5.066 1.00 0.00 C ATOM 1247 CE LYS C 40 12.817 6.536 5.380 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.032 6.725 6.841 1.00 0.00 N ATOM 0 H LYS C 40 10.169 5.366 3.328 1.00 0.00 H new ATOM 0 HA LYS C 40 7.834 6.630 4.456 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.636 7.601 4.817 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.343 7.454 5.990 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.526 5.703 6.758 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.788 4.825 5.433 1.00 0.00 H new ATOM 0 HD2 LYS C 40 12.222 4.471 5.443 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.732 5.310 3.985 1.00 0.00 H new ATOM 0 HE2 LYS C 40 13.772 6.316 4.903 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.452 7.468 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.773 7.438 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.147 7.045 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 13.326 5.824 7.268 1.00 0.00 H new ATOM 1262 N GLU C 41 10.026 8.363 2.769 1.00 0.00 N ATOM 1263 CA GLU C 41 10.259 9.406 1.821 1.00 0.00 C ATOM 1264 C GLU C 41 9.628 9.072 0.476 1.00 0.00 C ATOM 1265 O GLU C 41 9.239 9.954 -0.281 1.00 0.00 O ATOM 1266 CB GLU C 41 11.754 9.574 1.668 1.00 0.00 C ATOM 1267 CG GLU C 41 12.444 10.105 2.908 1.00 0.00 C ATOM 1268 CD GLU C 41 13.945 10.182 2.742 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.432 11.134 2.091 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.645 9.288 3.254 1.00 0.00 O ATOM 0 H GLU C 41 10.880 7.928 3.119 1.00 0.00 H new ATOM 0 HA GLU C 41 9.805 10.332 2.175 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.192 8.611 1.405 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.950 10.252 0.837 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.055 11.096 3.141 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.207 9.462 3.756 1.00 0.00 H new ATOM 1277 N PHE C 42 9.541 7.783 0.199 1.00 0.00 N ATOM 1278 CA PHE C 42 8.935 7.277 -1.021 1.00 0.00 C ATOM 1279 C PHE C 42 7.476 7.698 -1.106 1.00 0.00 C ATOM 1280 O PHE C 42 7.058 8.314 -2.083 1.00 0.00 O ATOM 1281 CB PHE C 42 9.074 5.753 -1.022 1.00 0.00 C ATOM 1282 CG PHE C 42 8.041 4.991 -1.816 1.00 0.00 C ATOM 1283 CD1 PHE C 42 8.193 4.789 -3.173 1.00 0.00 C ATOM 1284 CD2 PHE C 42 6.922 4.465 -1.189 1.00 0.00 C ATOM 1285 CE1 PHE C 42 7.249 4.082 -3.892 1.00 0.00 C ATOM 1286 CE2 PHE C 42 5.976 3.760 -1.901 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.138 3.569 -3.253 1.00 0.00 C ATOM 0 H PHE C 42 9.891 7.052 0.818 1.00 0.00 H new ATOM 0 HA PHE C 42 9.439 7.691 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.060 5.499 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.038 5.405 0.010 1.00 0.00 H new ATOM 0 HD1 PHE C 42 9.060 5.188 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE C 42 6.790 4.610 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE C 42 7.380 3.931 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE C 42 5.109 3.358 -1.398 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.397 3.019 -3.814 1.00 0.00 H new ATOM 1297 N LYS C 43 6.714 7.400 -0.062 1.00 0.00 N ATOM 1298 CA LYS C 43 5.304 7.745 -0.043 1.00 0.00 C ATOM 1299 C LYS C 43 5.114 9.253 0.070 1.00 0.00 C ATOM 1300 O LYS C 43 4.167 9.816 -0.481 1.00 0.00 O ATOM 1301 CB LYS C 43 4.574 7.004 1.079 1.00 0.00 C ATOM 1302 CG LYS C 43 4.974 7.429 2.480 1.00 0.00 C ATOM 1303 CD LYS C 43 4.439 6.474 3.537 1.00 0.00 C ATOM 1304 CE LYS C 43 2.961 6.699 3.848 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.066 6.355 2.708 1.00 0.00 N ATOM 0 H LYS C 43 7.048 6.924 0.776 1.00 0.00 H new ATOM 0 HA LYS C 43 4.864 7.427 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS C 43 3.501 7.156 0.959 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.758 5.935 0.971 1.00 0.00 H new ATOM 0 HG2 LYS C 43 6.061 7.475 2.549 1.00 0.00 H new ATOM 0 HG3 LYS C 43 4.599 8.434 2.675 1.00 0.00 H new ATOM 0 HD2 LYS C 43 4.582 5.448 3.198 1.00 0.00 H new ATOM 0 HD3 LYS C 43 5.020 6.591 4.452 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.683 6.099 4.715 1.00 0.00 H new ATOM 0 HE3 LYS C 43 2.808 7.743 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.112 6.149 3.066 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.022 7.157 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 2.439 5.519 2.214 1.00 0.00 H new ATOM 1319 N GLU C 44 6.027 9.892 0.787 1.00 0.00 N ATOM 1320 CA GLU C 44 6.024 11.337 0.946 1.00 0.00 C ATOM 1321 C GLU C 44 6.186 12.007 -0.420 1.00 0.00 C ATOM 1322 O GLU C 44 5.554 13.017 -0.716 1.00 0.00 O ATOM 1323 CB GLU C 44 7.168 11.731 1.890 1.00 0.00 C ATOM 1324 CG GLU C 44 6.866 12.915 2.799 1.00 0.00 C ATOM 1325 CD GLU C 44 6.634 14.206 2.048 1.00 0.00 C ATOM 1326 OE1 GLU C 44 7.622 14.825 1.603 1.00 0.00 O ATOM 1327 OE2 GLU C 44 5.463 14.619 1.921 1.00 0.00 O ATOM 0 H GLU C 44 6.790 9.422 1.274 1.00 0.00 H new ATOM 0 HA GLU C 44 5.078 11.669 1.375 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.422 10.871 2.509 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.049 11.965 1.293 1.00 0.00 H new ATOM 0 HG2 GLU C 44 5.984 12.688 3.397 1.00 0.00 H new ATOM 0 HG3 GLU C 44 7.695 13.051 3.493 1.00 0.00 H new ATOM 1334 N HIS C 45 7.027 11.412 -1.259 1.00 0.00 N ATOM 1335 CA HIS C 45 7.292 11.928 -2.587 1.00 0.00 C ATOM 1336 C HIS C 45 6.090 11.776 -3.515 1.00 0.00 C ATOM 1337 O HIS C 45 5.693 12.730 -4.180 1.00 0.00 O ATOM 1338 CB HIS C 45 8.498 11.209 -3.181 1.00 0.00 C ATOM 1339 CG HIS C 45 9.803 11.903 -2.939 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.579 11.677 -1.824 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.479 12.802 -3.688 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.675 12.405 -1.897 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.640 13.098 -3.018 1.00 0.00 N ATOM 0 H HIS C 45 7.541 10.560 -1.033 1.00 0.00 H new ATOM 0 HA HIS C 45 7.498 12.994 -2.494 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.550 10.204 -2.763 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.350 11.100 -4.255 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.342 11.044 -1.060 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.165 13.211 -4.637 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.467 12.430 -1.163 1.00 0.00 H new ATOM 1352 N ILE C 46 5.506 10.582 -3.550 1.00 0.00 N ATOM 1353 CA ILE C 46 4.438 10.280 -4.494 1.00 0.00 C ATOM 1354 C ILE C 46 3.143 11.015 -4.152 1.00 0.00 C ATOM 1355 O ILE C 46 2.230 11.054 -4.978 1.00 0.00 O ATOM 1356 CB ILE C 46 4.149 8.767 -4.557 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.411 8.295 -3.306 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.444 7.993 -4.731 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.978 6.846 -3.368 1.00 0.00 C ATOM 0 H ILE C 46 5.756 9.808 -2.934 1.00 0.00 H new ATOM 0 HA ILE C 46 4.792 10.623 -5.466 1.00 0.00 H new ATOM 0 HB ILE C 46 3.506 8.579 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.056 8.436 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.532 8.922 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.227 6.926 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.931 8.302 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.105 8.195 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.461 6.581 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.307 6.703 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.854 6.209 -3.488 1.00 0.00 H new ATOM 1371 N ALA C 47 3.081 11.603 -2.949 1.00 0.00 N ATOM 1372 CA ALA C 47 1.890 12.285 -2.455 1.00 0.00 C ATOM 1373 C ALA C 47 1.192 13.129 -3.515 1.00 0.00 C ATOM 1374 O ALA C 47 0.017 12.924 -3.786 1.00 0.00 O ATOM 1375 CB ALA C 47 2.257 13.155 -1.268 1.00 0.00 C ATOM 0 H ALA C 47 3.862 11.616 -2.293 1.00 0.00 H new ATOM 0 HA ALA C 47 1.184 11.509 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.366 13.664 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.673 12.533 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA C 47 2.997 13.895 -1.574 1.00 0.00 H new ATOM 1381 N ALA C 48 1.907 14.061 -4.124 1.00 0.00 N ATOM 1382 CA ALA C 48 1.300 14.970 -5.091 1.00 0.00 C ATOM 1383 C ALA C 48 0.811 14.253 -6.342 1.00 0.00 C ATOM 1384 O ALA C 48 -0.292 14.512 -6.821 1.00 0.00 O ATOM 1385 CB ALA C 48 2.277 16.046 -5.481 1.00 0.00 C ATOM 0 H ALA C 48 2.904 14.210 -3.969 1.00 0.00 H new ATOM 0 HA ALA C 48 0.431 15.412 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.811 16.717 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.568 16.611 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.161 15.590 -5.927 1.00 0.00 H new ATOM 1391 N SER C 49 1.629 13.349 -6.867 1.00 0.00 N ATOM 1392 CA SER C 49 1.313 12.637 -8.085 1.00 0.00 C ATOM 1393 C SER C 49 0.030 11.827 -7.930 1.00 0.00 C ATOM 1394 O SER C 49 -0.666 11.538 -8.903 1.00 0.00 O ATOM 1395 CB SER C 49 2.481 11.730 -8.419 1.00 0.00 C ATOM 1396 OG SER C 49 3.430 11.726 -7.362 1.00 0.00 O ATOM 0 H SER C 49 2.527 13.094 -6.456 1.00 0.00 H new ATOM 0 HA SER C 49 1.148 13.349 -8.894 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.122 10.716 -8.596 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.957 12.065 -9.341 1.00 0.00 H new ATOM 0 HG SER C 49 3.025 11.335 -6.560 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.278 11.472 -6.692 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.472 10.709 -6.400 1.00 0.00 C ATOM 1404 C VAL C 50 -2.499 11.551 -5.651 1.00 0.00 C ATOM 1405 O VAL C 50 -3.589 11.068 -5.360 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.137 9.434 -5.602 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.252 8.525 -6.438 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.463 9.774 -4.280 1.00 0.00 C ATOM 0 H VAL C 50 0.287 11.703 -5.875 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.908 10.411 -7.354 1.00 0.00 H new ATOM 0 HB VAL C 50 -2.067 8.913 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.017 7.624 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.775 8.251 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.671 9.047 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.239 8.855 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.462 10.317 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.130 10.394 -3.681 1.00 0.00 H new ATOM 1418 N SER C 51 -2.125 12.800 -5.327 1.00 0.00 N ATOM 1419 CA SER C 51 -3.009 13.769 -4.681 1.00 0.00 C ATOM 1420 C SER C 51 -3.376 13.274 -3.296 1.00 0.00 C ATOM 1421 O SER C 51 -4.375 13.684 -2.704 1.00 0.00 O ATOM 1422 CB SER C 51 -4.257 14.076 -5.534 1.00 0.00 C ATOM 1423 OG SER C 51 -5.188 13.003 -5.558 1.00 0.00 O ATOM 0 H SER C 51 -1.190 13.163 -5.510 1.00 0.00 H new ATOM 0 HA SER C 51 -2.475 14.714 -4.584 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.748 14.967 -5.143 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.947 14.304 -6.554 1.00 0.00 H new ATOM 0 HG SER C 51 -4.762 12.193 -5.208 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.529 12.395 -2.784 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.731 11.809 -1.484 1.00 0.00 C ATOM 1431 C ILE C 52 -1.482 11.975 -0.631 1.00 0.00 C ATOM 1432 O ILE C 52 -0.446 11.394 -0.948 1.00 0.00 O ATOM 1433 CB ILE C 52 -3.046 10.301 -1.566 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.254 10.030 -2.461 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.295 9.746 -0.170 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.574 10.158 -1.738 1.00 0.00 C ATOM 0 H ILE C 52 -1.687 12.074 -3.262 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.581 12.327 -1.040 1.00 0.00 H new ATOM 0 HB ILE C 52 -2.184 9.800 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -4.239 10.725 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -4.171 9.026 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.517 8.681 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.407 9.894 0.444 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -4.140 10.265 0.283 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.390 9.953 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.609 9.444 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.677 11.170 -1.345 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.553 12.734 0.473 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.397 12.953 1.334 1.00 0.00 C ATOM 1450 C PRO C 53 -0.081 11.723 2.152 1.00 0.00 C ATOM 1451 O PRO C 53 -0.981 11.000 2.566 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.819 14.071 2.264 1.00 0.00 C ATOM 1453 CG PRO C 53 -2.178 14.515 1.820 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.756 13.385 1.018 1.00 0.00 C ATOM 0 HA PRO C 53 0.494 13.187 0.750 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.844 13.725 3.297 1.00 0.00 H new ATOM 0 HB3 PRO C 53 -0.110 14.897 2.222 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.810 14.745 2.678 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -2.113 15.423 1.220 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.340 12.705 1.638 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.416 13.744 0.229 1.00 0.00 H new ATOM 1462 N SER C 54 1.205 11.527 2.411 1.00 0.00 N ATOM 1463 CA SER C 54 1.717 10.363 3.087 1.00 0.00 C ATOM 1464 C SER C 54 1.015 10.089 4.418 1.00 0.00 C ATOM 1465 O SER C 54 0.989 8.944 4.871 1.00 0.00 O ATOM 1466 CB SER C 54 3.214 10.551 3.287 1.00 0.00 C ATOM 1467 OG SER C 54 3.516 11.877 3.680 1.00 0.00 O ATOM 0 H SER C 54 1.930 12.194 2.147 1.00 0.00 H new ATOM 0 HA SER C 54 1.520 9.488 2.468 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.573 9.854 4.044 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.740 10.315 2.362 1.00 0.00 H new ATOM 0 HG SER C 54 4.216 11.864 4.366 1.00 0.00 H new ATOM 1473 N GLU C 55 0.444 11.126 5.035 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.247 10.959 6.312 1.00 0.00 C ATOM 1475 C GLU C 55 -1.541 10.145 6.150 1.00 0.00 C ATOM 1476 O GLU C 55 -1.844 9.278 6.969 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.553 12.313 6.950 1.00 0.00 C ATOM 1478 CG GLU C 55 -1.300 13.229 6.049 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.741 14.505 6.728 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.907 15.414 6.904 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -2.932 14.607 7.088 1.00 0.00 O ATOM 0 H GLU C 55 0.447 12.080 4.674 1.00 0.00 H new ATOM 0 HA GLU C 55 0.422 10.406 6.972 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -1.133 12.156 7.860 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.382 12.788 7.246 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.672 13.479 5.194 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -2.176 12.711 5.660 1.00 0.00 H new ATOM 1488 N LYS C 56 -2.292 10.419 5.087 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.545 9.709 4.822 1.00 0.00 C ATOM 1490 C LYS C 56 -3.292 8.570 3.847 1.00 0.00 C ATOM 1491 O LYS C 56 -4.023 7.579 3.809 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.584 10.660 4.219 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.815 11.924 5.031 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.781 12.871 4.334 1.00 0.00 C ATOM 1495 CE LYS C 56 -7.203 12.322 4.310 1.00 0.00 C ATOM 1496 NZ LYS C 56 -7.771 12.143 5.677 1.00 0.00 N ATOM 0 H LYS C 56 -2.056 11.128 4.393 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.925 9.315 5.765 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -4.265 10.940 3.215 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.530 10.129 4.117 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.209 11.659 6.012 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.864 12.430 5.195 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -5.773 13.835 4.842 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.443 13.046 3.313 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -7.840 12.999 3.741 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -7.210 11.365 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -8.695 12.617 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.889 11.129 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.125 12.559 6.378 1.00 0.00 H new ATOM 1510 N GLN C 57 -2.241 8.746 3.067 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.862 7.835 2.002 1.00 0.00 C ATOM 1512 C GLN C 57 -1.555 6.451 2.544 1.00 0.00 C ATOM 1513 O GLN C 57 -0.616 6.275 3.325 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.614 8.371 1.324 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.325 7.773 -0.028 1.00 0.00 C ATOM 1516 CD GLN C 57 1.097 8.033 -0.440 1.00 0.00 C ATOM 1517 OE1 GLN C 57 1.975 7.211 -0.189 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.349 9.195 -1.017 1.00 0.00 N ATOM 0 H GLN C 57 -1.613 9.544 3.158 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.693 7.760 1.301 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.712 9.451 1.215 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.242 8.193 1.975 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.509 6.699 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -1.005 8.194 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.587 9.846 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.305 9.440 -1.273 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.310 5.468 2.112 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.088 4.116 2.566 1.00 0.00 C ATOM 1529 C ARG C 58 -1.845 3.198 1.373 1.00 0.00 C ATOM 1530 O ARG C 58 -2.695 3.083 0.492 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.289 3.654 3.390 1.00 0.00 C ATOM 1532 CG ARG C 58 -2.956 2.600 4.430 1.00 0.00 C ATOM 1533 CD ARG C 58 -1.882 3.081 5.403 1.00 0.00 C ATOM 1534 NE ARG C 58 -2.191 4.396 5.975 1.00 0.00 N ATOM 1535 CZ ARG C 58 -1.482 4.972 6.951 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -0.471 4.325 7.522 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -1.800 6.190 7.372 1.00 0.00 N ATOM 0 H ARG C 58 -3.079 5.578 1.451 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.202 4.079 3.199 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -3.727 4.518 3.890 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -4.048 3.257 2.716 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -3.858 2.339 4.984 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -2.614 1.693 3.931 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -1.774 2.354 6.208 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -0.923 3.129 4.886 1.00 0.00 H new ATOM 0 HE ARG C 58 -2.996 4.902 5.605 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -0.231 3.382 7.216 1.00 0.00 H new ATOM 0 HH12 ARG C 58 0.065 4.772 8.266 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -2.585 6.686 6.951 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -1.259 6.630 8.117 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.666 2.577 1.329 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.320 1.677 0.234 1.00 0.00 C ATOM 1553 C LEU C 59 -0.868 0.288 0.529 1.00 0.00 C ATOM 1554 O LEU C 59 -0.486 -0.320 1.515 1.00 0.00 O ATOM 1555 CB LEU C 59 1.202 1.615 0.080 1.00 0.00 C ATOM 1556 CG LEU C 59 1.897 2.955 -0.096 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.305 2.904 0.477 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.944 3.298 -1.561 1.00 0.00 C ATOM 0 H LEU C 59 0.061 2.681 2.037 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.756 2.047 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.619 1.122 0.958 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.437 0.988 -0.780 1.00 0.00 H new ATOM 0 HG LEU C 59 1.339 3.722 0.441 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.788 3.872 0.342 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.257 2.667 1.540 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.881 2.136 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.442 4.259 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU C 59 2.496 2.526 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.929 3.358 -1.953 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.788 -0.209 -0.278 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.306 -1.548 -0.049 1.00 0.00 C ATOM 1572 C ILE C 60 -1.945 -2.494 -1.180 1.00 0.00 C ATOM 1573 O ILE C 60 -2.292 -2.262 -2.339 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.823 -1.561 0.104 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.278 -0.332 0.854 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.261 -2.810 0.849 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.740 -0.060 0.656 1.00 0.00 C ATOM 0 H ILE C 60 -2.185 0.280 -1.080 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.842 -1.883 0.879 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.276 -1.561 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.074 -0.460 1.917 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.701 0.530 0.520 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.346 -2.810 0.953 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -3.950 -3.694 0.292 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.802 -2.824 1.837 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.023 0.833 1.214 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.941 0.095 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.320 -0.910 1.014 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.261 -3.566 -0.839 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.972 -4.616 -1.792 1.00 0.00 C ATOM 1591 C TYR C 61 -1.211 -5.964 -1.130 1.00 0.00 C ATOM 1592 O TYR C 61 -0.779 -6.179 -0.001 1.00 0.00 O ATOM 1593 CB TYR C 61 0.463 -4.509 -2.316 1.00 0.00 C ATOM 1594 CG TYR C 61 0.731 -5.475 -3.438 1.00 0.00 C ATOM 1595 CD1 TYR C 61 -0.013 -5.411 -4.604 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.693 -6.466 -3.323 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.185 -6.313 -5.626 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.909 -7.369 -4.345 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.147 -7.291 -5.494 1.00 0.00 C ATOM 1600 OH TYR C 61 1.342 -8.198 -6.510 1.00 0.00 O ATOM 0 H TYR C 61 -0.893 -3.733 0.097 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.635 -4.512 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.647 -3.492 -2.663 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.161 -4.699 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.762 -4.640 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.282 -6.533 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.410 -6.254 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.668 -8.131 -4.246 1.00 0.00 H new ATOM 0 HH TYR C 61 2.057 -8.820 -6.260 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.923 -6.852 -1.823 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.321 -8.151 -1.262 1.00 0.00 C ATOM 1612 C GLN C 62 -3.131 -7.962 0.019 1.00 0.00 C ATOM 1613 O GLN C 62 -3.018 -8.744 0.965 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.098 -9.028 -0.979 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.258 -9.320 -2.210 1.00 0.00 C ATOM 1616 CD GLN C 62 0.856 -10.294 -1.931 1.00 0.00 C ATOM 1617 OE1 GLN C 62 1.962 -9.906 -1.551 1.00 0.00 O ATOM 1618 NE2 GLN C 62 0.577 -11.563 -2.124 1.00 0.00 N ATOM 0 H GLN C 62 -2.240 -6.698 -2.780 1.00 0.00 H new ATOM 0 HA GLN C 62 -2.943 -8.653 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.474 -8.536 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.431 -9.971 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -0.898 -9.721 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN C 62 0.164 -8.388 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.353 -11.838 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN C 62 1.290 -12.273 -1.958 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.938 -6.905 0.049 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.748 -6.610 1.219 1.00 0.00 C ATOM 1629 C GLY C 63 -3.911 -6.191 2.416 1.00 0.00 C ATOM 1630 O GLY C 63 -4.439 -5.990 3.511 1.00 0.00 O ATOM 0 H GLY C 63 -4.046 -6.244 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.454 -5.815 0.977 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.336 -7.490 1.481 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.609 -6.057 2.201 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.685 -5.703 3.265 1.00 0.00 C ATOM 1636 C ARG C 64 -1.523 -4.194 3.311 1.00 0.00 C ATOM 1637 O ARG C 64 -1.449 -3.540 2.269 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.315 -6.353 3.041 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.343 -7.867 2.865 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.951 -8.577 4.064 1.00 0.00 C ATOM 1641 NE ARG C 64 -2.381 -8.836 3.893 1.00 0.00 N ATOM 1642 CZ ARG C 64 -3.216 -9.083 4.904 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -2.780 -9.051 6.157 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -4.490 -9.362 4.666 1.00 0.00 N ATOM 0 H ARG C 64 -2.168 -6.190 1.291 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.091 -6.066 4.209 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.142 -5.908 2.157 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.328 -6.112 3.888 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.914 -8.116 1.970 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.672 -8.231 2.707 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.430 -9.521 4.226 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.799 -7.971 4.957 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.761 -8.827 2.947 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -1.802 -8.837 6.351 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -3.423 -9.241 6.926 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.836 -9.389 3.707 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -5.124 -9.550 5.442 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.463 -3.650 4.509 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.386 -2.211 4.686 1.00 0.00 C ATOM 1660 C VAL C 65 0.078 -1.753 4.730 1.00 0.00 C ATOM 1661 O VAL C 65 0.690 -1.695 5.796 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.098 -1.785 5.989 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.556 -0.341 5.900 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.277 -2.704 6.294 1.00 0.00 C ATOM 0 H VAL C 65 -1.466 -4.183 5.379 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.883 -1.740 3.838 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.383 -1.871 6.807 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.055 -0.060 6.827 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.693 0.305 5.742 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.250 -0.230 5.067 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.760 -2.382 7.216 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.994 -2.660 5.474 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.920 -3.727 6.410 1.00 0.00 H new ATOM 1674 N LEU C 66 0.629 -1.426 3.565 1.00 0.00 N ATOM 1675 CA LEU C 66 2.027 -1.011 3.454 1.00 0.00 C ATOM 1676 C LEU C 66 2.146 0.475 3.786 1.00 0.00 C ATOM 1677 O LEU C 66 1.257 1.269 3.454 1.00 0.00 O ATOM 1678 CB LEU C 66 2.581 -1.250 2.041 1.00 0.00 C ATOM 1679 CG LEU C 66 1.770 -2.175 1.129 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.320 -2.113 -0.283 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.784 -3.610 1.637 1.00 0.00 C ATOM 0 H LEU C 66 0.126 -1.440 2.678 1.00 0.00 H new ATOM 0 HA LEU C 66 2.607 -1.609 4.156 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.677 -0.284 1.546 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.586 -1.661 2.135 1.00 0.00 H new ATOM 0 HG LEU C 66 0.735 -1.833 1.131 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.740 -2.773 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.253 -1.091 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.363 -2.431 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.199 -4.239 0.966 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.811 -3.974 1.672 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.352 -3.646 2.637 1.00 0.00 H new ATOM 1693 N GLN C 67 3.233 0.860 4.432 1.00 0.00 N ATOM 1694 CA GLN C 67 3.388 2.233 4.880 1.00 0.00 C ATOM 1695 C GLN C 67 4.869 2.600 5.072 1.00 0.00 C ATOM 1696 O GLN C 67 5.754 1.865 4.651 1.00 0.00 O ATOM 1697 CB GLN C 67 2.626 2.405 6.190 1.00 0.00 C ATOM 1698 CG GLN C 67 2.969 1.332 7.202 1.00 0.00 C ATOM 1699 CD GLN C 67 1.946 1.215 8.302 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.315 2.196 8.694 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.755 0.003 8.787 1.00 0.00 N ATOM 0 H GLN C 67 4.016 0.246 4.657 1.00 0.00 H new ATOM 0 HA GLN C 67 2.986 2.902 4.119 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.851 3.384 6.612 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.555 2.383 5.990 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.057 0.373 6.691 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.943 1.551 7.640 1.00 0.00 H new ATOM 0 HE21 GLN C 67 2.302 -0.781 8.431 1.00 0.00 H new ATOM 0 HE22 GLN C 67 1.060 -0.150 9.518 1.00 0.00 H new ATOM 1710 N ASP C 68 5.106 3.740 5.725 1.00 0.00 N ATOM 1711 CA ASP C 68 6.443 4.268 6.043 1.00 0.00 C ATOM 1712 C ASP C 68 7.272 3.331 6.938 1.00 0.00 C ATOM 1713 O ASP C 68 8.398 3.659 7.311 1.00 0.00 O ATOM 1714 CB ASP C 68 6.318 5.646 6.710 1.00 0.00 C ATOM 1715 CG ASP C 68 5.318 5.671 7.850 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.142 5.308 7.628 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.693 6.071 8.972 1.00 0.00 O ATOM 0 H ASP C 68 4.353 4.342 6.059 1.00 0.00 H new ATOM 0 HA ASP C 68 6.976 4.352 5.096 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.295 5.950 7.086 1.00 0.00 H new ATOM 0 HB3 ASP C 68 6.022 6.380 5.960 1.00 0.00 H new ATOM 1722 N ASP C 69 6.695 2.190 7.299 1.00 0.00 N ATOM 1723 CA ASP C 69 7.330 1.204 8.191 1.00 0.00 C ATOM 1724 C ASP C 69 8.647 0.658 7.618 1.00 0.00 C ATOM 1725 O ASP C 69 9.390 -0.041 8.310 1.00 0.00 O ATOM 1726 CB ASP C 69 6.355 0.052 8.439 1.00 0.00 C ATOM 1727 CG ASP C 69 6.861 -0.947 9.463 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.940 -0.596 10.658 1.00 0.00 O ATOM 1729 OD2 ASP C 69 7.186 -2.088 9.075 1.00 0.00 O ATOM 0 H ASP C 69 5.766 1.913 6.983 1.00 0.00 H new ATOM 0 HA ASP C 69 7.572 1.708 9.127 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.401 0.458 8.777 1.00 0.00 H new ATOM 0 HB3 ASP C 69 6.166 -0.465 7.498 1.00 0.00 H new ATOM 1734 N LYS C 70 8.895 0.971 6.348 1.00 0.00 N ATOM 1735 CA LYS C 70 10.169 0.683 5.656 1.00 0.00 C ATOM 1736 C LYS C 70 10.186 -0.697 5.010 1.00 0.00 C ATOM 1737 O LYS C 70 9.181 -1.410 5.018 1.00 0.00 O ATOM 1738 CB LYS C 70 11.385 0.840 6.582 1.00 0.00 C ATOM 1739 CG LYS C 70 11.603 2.258 7.080 1.00 0.00 C ATOM 1740 CD LYS C 70 12.911 2.392 7.844 1.00 0.00 C ATOM 1741 CE LYS C 70 12.920 1.546 9.108 1.00 0.00 C ATOM 1742 NZ LYS C 70 14.190 1.696 9.867 1.00 0.00 N ATOM 0 H LYS C 70 8.212 1.440 5.753 1.00 0.00 H new ATOM 0 HA LYS C 70 10.242 1.428 4.864 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.263 0.179 7.440 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.278 0.511 6.051 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.604 2.945 6.233 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.774 2.549 7.725 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.739 2.093 7.201 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.073 3.438 8.106 1.00 0.00 H new ATOM 0 HE2 LYS C 70 12.082 1.833 9.743 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.776 0.498 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 14.156 1.104 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 14.988 1.398 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 14.315 2.691 10.141 1.00 0.00 H new ATOM 1756 N LYS C 71 11.358 -1.035 4.444 1.00 0.00 N ATOM 1757 CA LYS C 71 11.624 -2.317 3.769 1.00 0.00 C ATOM 1758 C LYS C 71 10.524 -2.713 2.777 1.00 0.00 C ATOM 1759 O LYS C 71 9.627 -3.501 3.079 1.00 0.00 O ATOM 1760 CB LYS C 71 11.937 -3.439 4.782 1.00 0.00 C ATOM 1761 CG LYS C 71 11.001 -3.520 5.979 1.00 0.00 C ATOM 1762 CD LYS C 71 11.605 -4.344 7.103 1.00 0.00 C ATOM 1763 CE LYS C 71 10.761 -4.271 8.365 1.00 0.00 C ATOM 1764 NZ LYS C 71 9.449 -4.949 8.200 1.00 0.00 N ATOM 0 H LYS C 71 12.164 -0.410 4.443 1.00 0.00 H new ATOM 0 HA LYS C 71 12.520 -2.169 3.166 1.00 0.00 H new ATOM 0 HB2 LYS C 71 11.913 -4.395 4.258 1.00 0.00 H new ATOM 0 HB3 LYS C 71 12.955 -3.301 5.147 1.00 0.00 H new ATOM 0 HG2 LYS C 71 10.783 -2.515 6.340 1.00 0.00 H new ATOM 0 HG3 LYS C 71 10.053 -3.961 5.672 1.00 0.00 H new ATOM 0 HD2 LYS C 71 11.696 -5.383 6.785 1.00 0.00 H new ATOM 0 HD3 LYS C 71 12.612 -3.986 7.317 1.00 0.00 H new ATOM 0 HE2 LYS C 71 11.304 -4.730 9.191 1.00 0.00 H new ATOM 0 HE3 LYS C 71 10.598 -3.227 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 8.906 -4.875 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 8.918 -4.495 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 9.603 -5.952 7.971 1.00 0.00 H new ATOM 1778 N LEU C 72 10.649 -2.178 1.562 1.00 0.00 N ATOM 1779 CA LEU C 72 9.673 -2.384 0.491 1.00 0.00 C ATOM 1780 C LEU C 72 9.598 -3.838 0.038 1.00 0.00 C ATOM 1781 O LEU C 72 8.540 -4.309 -0.377 1.00 0.00 O ATOM 1782 CB LEU C 72 10.017 -1.501 -0.712 1.00 0.00 C ATOM 1783 CG LEU C 72 9.602 -0.037 -0.589 1.00 0.00 C ATOM 1784 CD1 LEU C 72 10.144 0.781 -1.742 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.089 0.072 -0.550 1.00 0.00 C ATOM 0 H LEU C 72 11.435 -1.586 1.292 1.00 0.00 H new ATOM 0 HA LEU C 72 8.699 -2.111 0.897 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.094 -1.543 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.542 -1.922 -1.598 1.00 0.00 H new ATOM 0 HG LEU C 72 10.019 0.357 0.338 1.00 0.00 H new ATOM 0 HD11 LEU C 72 9.833 1.820 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU C 72 11.233 0.726 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU C 72 9.757 0.387 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU C 72 7.802 1.120 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU C 72 7.671 -0.343 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU C 72 7.706 -0.482 0.307 1.00 0.00 H new ATOM 1797 N GLN C 73 10.718 -4.545 0.099 1.00 0.00 N ATOM 1798 CA GLN C 73 10.788 -5.905 -0.361 1.00 0.00 C ATOM 1799 C GLN C 73 9.961 -6.848 0.502 1.00 0.00 C ATOM 1800 O GLN C 73 9.628 -7.952 0.072 1.00 0.00 O ATOM 1801 CB GLN C 73 12.237 -6.333 -0.387 1.00 0.00 C ATOM 1802 CG GLN C 73 12.987 -6.106 0.914 1.00 0.00 C ATOM 1803 CD GLN C 73 14.400 -6.653 0.865 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.635 -7.817 1.178 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.350 -5.819 0.478 1.00 0.00 N ATOM 0 H GLN C 73 11.597 -4.183 0.470 1.00 0.00 H new ATOM 0 HA GLN C 73 10.365 -5.955 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.285 -7.393 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.747 -5.793 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.020 -5.038 1.130 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.444 -6.580 1.732 1.00 0.00 H new ATOM 0 HE21 GLN C 73 15.114 -4.859 0.226 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.319 -6.135 0.431 1.00 0.00 H new ATOM 1814 N GLU C 74 9.624 -6.414 1.709 1.00 0.00 N ATOM 1815 CA GLU C 74 8.727 -7.183 2.556 1.00 0.00 C ATOM 1816 C GLU C 74 7.332 -7.159 1.954 1.00 0.00 C ATOM 1817 O GLU C 74 6.547 -8.095 2.121 1.00 0.00 O ATOM 1818 CB GLU C 74 8.694 -6.625 3.979 1.00 0.00 C ATOM 1819 CG GLU C 74 10.051 -6.605 4.662 1.00 0.00 C ATOM 1820 CD GLU C 74 10.720 -7.963 4.708 1.00 0.00 C ATOM 1821 OE1 GLU C 74 10.127 -8.907 5.272 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.849 -8.089 4.190 1.00 0.00 O ATOM 0 H GLU C 74 9.956 -5.541 2.120 1.00 0.00 H new ATOM 0 HA GLU C 74 9.091 -8.209 2.610 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.296 -5.611 3.952 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.005 -7.222 4.577 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.702 -5.905 4.139 1.00 0.00 H new ATOM 0 HG3 GLU C 74 9.932 -6.232 5.679 1.00 0.00 H new ATOM 1829 N TYR C 75 7.037 -6.080 1.236 1.00 0.00 N ATOM 1830 CA TYR C 75 5.748 -5.921 0.598 1.00 0.00 C ATOM 1831 C TYR C 75 5.773 -6.578 -0.777 1.00 0.00 C ATOM 1832 O TYR C 75 4.736 -6.931 -1.333 1.00 0.00 O ATOM 1833 CB TYR C 75 5.392 -4.438 0.458 1.00 0.00 C ATOM 1834 CG TYR C 75 5.508 -3.631 1.739 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.827 -4.000 2.892 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.293 -2.486 1.782 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.926 -3.252 4.050 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.396 -1.727 2.937 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.708 -2.119 4.066 1.00 0.00 C ATOM 1840 OH TYR C 75 5.795 -1.371 5.217 1.00 0.00 O ATOM 0 H TYR C 75 7.681 -5.303 1.085 1.00 0.00 H new ATOM 0 HA TYR C 75 4.991 -6.401 1.218 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.042 -3.993 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.371 -4.358 0.086 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.210 -4.886 2.883 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.834 -2.181 0.898 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.392 -3.555 4.939 1.00 0.00 H new ATOM 0 HE2 TYR C 75 7.009 -0.838 2.953 1.00 0.00 H new ATOM 0 HH TYR C 75 5.862 -0.421 4.986 1.00 0.00 H new ATOM 1850 N ASN C 76 6.997 -6.724 -1.309 1.00 0.00 N ATOM 1851 CA ASN C 76 7.242 -7.438 -2.566 1.00 0.00 C ATOM 1852 C ASN C 76 6.530 -6.754 -3.732 1.00 0.00 C ATOM 1853 O ASN C 76 6.049 -7.404 -4.658 1.00 0.00 O ATOM 1854 CB ASN C 76 6.788 -8.899 -2.435 1.00 0.00 C ATOM 1855 CG ASN C 76 7.168 -9.767 -3.628 1.00 0.00 C ATOM 1856 OD1 ASN C 76 8.206 -9.565 -4.262 1.00 0.00 O ATOM 1857 ND2 ASN C 76 6.325 -10.738 -3.944 1.00 0.00 N ATOM 0 H ASN C 76 7.842 -6.350 -0.878 1.00 0.00 H new ATOM 0 HA ASN C 76 8.312 -7.419 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.224 -9.326 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.706 -8.924 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN C 76 6.525 -11.349 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN C 76 5.476 -10.875 -3.396 1.00 0.00 H new ATOM 1864 N VAL C 77 6.497 -5.431 -3.705 1.00 0.00 N ATOM 1865 CA VAL C 77 5.744 -4.682 -4.704 1.00 0.00 C ATOM 1866 C VAL C 77 6.594 -4.368 -5.937 1.00 0.00 C ATOM 1867 O VAL C 77 6.258 -3.490 -6.734 1.00 0.00 O ATOM 1868 CB VAL C 77 5.176 -3.379 -4.111 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.236 -3.696 -2.957 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.301 -2.456 -3.662 1.00 0.00 C ATOM 0 H VAL C 77 6.976 -4.857 -3.011 1.00 0.00 H new ATOM 0 HA VAL C 77 4.914 -5.316 -5.016 1.00 0.00 H new ATOM 0 HB VAL C 77 4.609 -2.860 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.840 -2.768 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.413 -4.313 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.781 -4.234 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.877 -1.542 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.901 -2.956 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.931 -2.208 -4.516 1.00 0.00 H new ATOM 1880 N GLY C 78 7.686 -5.102 -6.096 1.00 0.00 N ATOM 1881 CA GLY C 78 8.546 -4.925 -7.221 1.00 0.00 C ATOM 1882 C GLY C 78 7.950 -5.477 -8.466 1.00 0.00 C ATOM 1883 O GLY C 78 7.888 -6.686 -8.697 1.00 0.00 O ATOM 0 H GLY C 78 7.986 -5.828 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.752 -3.863 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.501 -5.413 -7.028 1.00 0.00 H new ATOM 1887 N GLY C 79 7.475 -4.555 -9.222 1.00 0.00 N ATOM 1888 CA GLY C 79 6.916 -4.842 -10.524 1.00 0.00 C ATOM 1889 C GLY C 79 5.437 -5.171 -10.464 1.00 0.00 C ATOM 1890 O GLY C 79 4.873 -5.723 -11.406 1.00 0.00 O ATOM 0 H GLY C 79 7.456 -3.568 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.067 -3.983 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.453 -5.680 -10.969 1.00 0.00 H new ATOM 1894 N LYS C 80 4.822 -4.849 -9.338 1.00 0.00 N ATOM 1895 CA LYS C 80 3.397 -5.096 -9.118 1.00 0.00 C ATOM 1896 C LYS C 80 2.690 -3.769 -8.858 1.00 0.00 C ATOM 1897 O LYS C 80 3.291 -2.884 -8.255 1.00 0.00 O ATOM 1898 CB LYS C 80 3.227 -5.992 -7.892 1.00 0.00 C ATOM 1899 CG LYS C 80 4.153 -7.198 -7.865 1.00 0.00 C ATOM 1900 CD LYS C 80 3.811 -8.209 -8.947 1.00 0.00 C ATOM 1901 CE LYS C 80 4.752 -9.402 -8.903 1.00 0.00 C ATOM 1902 NZ LYS C 80 6.160 -9.010 -9.186 1.00 0.00 N ATOM 0 H LYS C 80 5.292 -4.409 -8.547 1.00 0.00 H new ATOM 0 HA LYS C 80 2.970 -5.579 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.398 -5.397 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.195 -6.340 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.183 -6.866 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS C 80 4.092 -7.679 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.783 -8.549 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.870 -7.732 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.697 -9.872 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.429 -10.146 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.736 -9.864 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.191 -8.422 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 6.538 -8.470 -8.382 1.00 0.00 H new ATOM 1916 N VAL C 81 1.434 -3.606 -9.304 1.00 0.00 N ATOM 1917 CA VAL C 81 0.705 -2.380 -8.979 1.00 0.00 C ATOM 1918 C VAL C 81 0.073 -2.467 -7.599 1.00 0.00 C ATOM 1919 O VAL C 81 -0.688 -3.385 -7.283 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.376 -1.937 -9.996 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.169 -1.642 -11.377 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.466 -2.938 -10.088 1.00 0.00 C ATOM 0 H VAL C 81 0.921 -4.283 -9.870 1.00 0.00 H new ATOM 0 HA VAL C 81 1.479 -1.613 -9.015 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.771 -0.999 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.647 -1.338 -12.033 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.903 -0.838 -11.315 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.644 -2.537 -11.779 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.210 -2.600 -10.809 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.055 -3.894 -10.411 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.935 -3.056 -9.111 1.00 0.00 H new ATOM 1932 N ILE C 82 0.431 -1.508 -6.770 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.173 -1.344 -5.469 1.00 0.00 C ATOM 1934 C ILE C 82 -1.513 -0.656 -5.628 1.00 0.00 C ATOM 1935 O ILE C 82 -1.861 -0.235 -6.716 1.00 0.00 O ATOM 1936 CB ILE C 82 0.751 -0.526 -4.540 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.095 -1.173 -4.464 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.181 -0.360 -3.139 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.068 -0.411 -3.609 1.00 0.00 C ATOM 0 H ILE C 82 1.152 -0.819 -6.983 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.321 -2.323 -5.014 1.00 0.00 H new ATOM 0 HB ILE C 82 0.836 0.471 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.984 -2.182 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.503 -1.270 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.873 0.223 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.777 0.157 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.038 -1.341 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.025 -0.932 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.206 0.590 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.679 -0.337 -2.593 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.288 -0.598 -4.578 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.534 0.131 -4.601 1.00 0.00 C ATOM 1953 C HIS C 83 -3.461 1.240 -3.576 1.00 0.00 C ATOM 1954 O HIS C 83 -3.300 0.979 -2.385 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.696 -0.807 -4.260 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.751 -2.042 -5.109 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.349 -3.276 -4.643 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.160 -2.243 -6.387 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.506 -4.179 -5.590 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -4.996 -3.582 -6.657 1.00 0.00 N ATOM 0 H HIS C 83 -2.079 -1.050 -3.688 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.700 0.547 -5.595 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.617 -1.101 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.634 -0.262 -4.368 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.542 -1.494 -7.064 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.273 -5.230 -5.506 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.218 -4.039 -7.541 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.534 2.466 -4.039 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.519 3.598 -3.134 1.00 0.00 C ATOM 1971 C LEU C 84 -4.917 3.990 -2.713 1.00 0.00 C ATOM 1972 O LEU C 84 -5.855 3.942 -3.500 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.813 4.789 -3.756 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.342 4.905 -3.392 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.710 6.075 -4.113 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.177 5.055 -1.888 1.00 0.00 C ATOM 0 H LEU C 84 -3.604 2.707 -5.028 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.967 3.289 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.903 4.724 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.324 5.701 -3.448 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.835 3.992 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.343 6.144 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -0.798 5.930 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.219 6.996 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -0.118 5.137 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.697 5.953 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.598 4.183 -1.387 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.048 4.367 -1.461 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.328 4.794 -0.927 1.00 0.00 C ATOM 1990 C VAL C 85 -6.146 5.940 0.046 1.00 0.00 C ATOM 1991 O VAL C 85 -5.037 6.204 0.522 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.067 3.659 -0.188 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.330 2.475 -1.110 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.285 3.233 1.046 1.00 0.00 C ATOM 0 H VAL C 85 -4.282 4.388 -0.788 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.924 5.105 -1.785 1.00 0.00 H new ATOM 0 HB VAL C 85 -8.036 4.039 0.135 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.852 1.693 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.944 2.798 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.382 2.086 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -6.819 2.432 1.557 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.298 2.879 0.747 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.176 4.083 1.719 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.243 6.607 0.341 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.261 7.631 1.354 1.00 0.00 C ATOM 2006 C GLU C 86 -8.076 7.148 2.542 1.00 0.00 C ATOM 2007 O GLU C 86 -9.231 6.753 2.385 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.846 8.898 0.802 1.00 0.00 C ATOM 2009 CG GLU C 86 -7.669 10.100 1.707 1.00 0.00 C ATOM 2010 CD GLU C 86 -8.413 11.313 1.198 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -9.659 11.287 1.208 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -7.760 12.295 0.796 1.00 0.00 O ATOM 0 H GLU C 86 -8.142 6.452 -0.115 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.241 7.837 1.677 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -7.384 9.110 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -8.910 8.746 0.619 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -8.022 9.854 2.708 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -6.608 10.336 1.792 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.476 7.142 3.720 1.00 0.00 N ATOM 2020 CA ARG C 87 -8.182 6.688 4.905 1.00 0.00 C ATOM 2021 C ARG C 87 -8.823 7.862 5.630 1.00 0.00 C ATOM 2022 O ARG C 87 -8.651 9.019 5.229 1.00 0.00 O ATOM 2023 CB ARG C 87 -7.253 5.917 5.850 1.00 0.00 C ATOM 2024 CG ARG C 87 -6.584 4.717 5.200 1.00 0.00 C ATOM 2025 CD ARG C 87 -6.381 3.576 6.188 1.00 0.00 C ATOM 2026 NE ARG C 87 -5.614 3.977 7.366 1.00 0.00 N ATOM 2027 CZ ARG C 87 -5.110 3.117 8.253 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -5.254 1.807 8.077 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -4.458 3.567 9.315 1.00 0.00 N ATOM 0 H ARG C 87 -6.514 7.442 3.881 1.00 0.00 H new ATOM 0 HA ARG C 87 -8.968 6.006 4.580 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -6.484 6.594 6.222 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -7.826 5.580 6.714 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -7.193 4.370 4.365 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -5.620 5.017 4.789 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -7.353 3.198 6.504 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -5.867 2.755 5.688 1.00 0.00 H new ATOM 0 HE ARG C 87 -5.455 4.973 7.519 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -5.752 1.454 7.260 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -4.866 1.155 8.759 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -4.341 4.571 9.454 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -4.073 2.910 9.993 1.00 0.00 H new ATOM 2043 N ALA C 88 -9.567 7.555 6.680 1.00 0.00 N ATOM 2044 CA ALA C 88 -10.244 8.562 7.478 1.00 0.00 C ATOM 2045 C ALA C 88 -9.241 9.495 8.164 1.00 0.00 C ATOM 2046 O ALA C 88 -8.052 9.179 8.249 1.00 0.00 O ATOM 2047 CB ALA C 88 -11.134 7.879 8.510 1.00 0.00 C ATOM 0 H ALA C 88 -9.718 6.599 7.003 1.00 0.00 H new ATOM 0 HA ALA C 88 -10.860 9.173 6.818 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -11.642 8.635 9.109 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -11.874 7.262 8.001 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -10.523 7.252 9.159 1.00 0.00 H new ATOM 2053 N PRO C 89 -9.699 10.668 8.639 1.00 0.00 N ATOM 2054 CA PRO C 89 -8.857 11.595 9.405 1.00 0.00 C ATOM 2055 C PRO C 89 -8.340 10.951 10.690 1.00 0.00 C ATOM 2056 O PRO C 89 -8.918 9.969 11.168 1.00 0.00 O ATOM 2057 CB PRO C 89 -9.809 12.748 9.739 1.00 0.00 C ATOM 2058 CG PRO C 89 -10.874 12.661 8.712 1.00 0.00 C ATOM 2059 CD PRO C 89 -11.061 11.197 8.461 1.00 0.00 C ATOM 0 HA PRO C 89 -7.972 11.906 8.850 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -10.218 12.646 10.744 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -9.297 13.709 9.699 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -11.798 13.121 9.063 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -10.585 13.183 7.800 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -11.765 10.751 9.164 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -11.444 11.002 7.459 1.00 0.00 H new ATOM 2067 N PRO C 90 -7.251 11.493 11.272 1.00 0.00 N ATOM 2068 CA PRO C 90 -6.681 10.992 12.534 1.00 0.00 C ATOM 2069 C PRO C 90 -7.586 11.253 13.742 1.00 0.00 C ATOM 2070 O PRO C 90 -7.123 11.630 14.821 1.00 0.00 O ATOM 2071 CB PRO C 90 -5.370 11.771 12.671 1.00 0.00 C ATOM 2072 CG PRO C 90 -5.587 13.015 11.884 1.00 0.00 C ATOM 2073 CD PRO C 90 -6.474 12.625 10.735 1.00 0.00 C ATOM 0 HA PRO C 90 -6.552 9.910 12.512 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -5.150 11.996 13.715 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -4.527 11.199 12.283 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -6.055 13.787 12.495 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -4.641 13.421 11.527 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -7.121 13.447 10.430 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -5.893 12.334 9.860 1.00 0.00 H new ATOM 2081 N GLN C 91 -8.875 11.054 13.541 1.00 0.00 N ATOM 2082 CA GLN C 91 -9.859 11.178 14.597 1.00 0.00 C ATOM 2083 C GLN C 91 -10.161 9.799 15.172 1.00 0.00 C ATOM 2084 O GLN C 91 -10.486 9.659 16.347 1.00 0.00 O ATOM 2085 CB GLN C 91 -11.136 11.827 14.053 1.00 0.00 C ATOM 2086 CG GLN C 91 -11.685 11.140 12.812 1.00 0.00 C ATOM 2087 CD GLN C 91 -12.924 11.744 12.300 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -13.176 12.942 12.401 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -13.724 10.867 11.772 1.00 0.00 N ATOM 0 H GLN C 91 -9.270 10.800 12.635 1.00 0.00 H new ATOM 0 HA GLN C 91 -9.464 11.814 15.390 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -11.899 11.817 14.831 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -10.932 12.872 13.820 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -10.928 11.166 12.028 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -11.871 10.091 13.041 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -13.445 9.887 11.723 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -14.631 11.158 11.407 1.00 0.00 H new ATOM 2098 N THR C 92 -10.024 8.785 14.328 1.00 0.00 N ATOM 2099 CA THR C 92 -10.252 7.411 14.737 1.00 0.00 C ATOM 2100 C THR C 92 -8.921 6.746 15.093 1.00 0.00 C ATOM 2101 O THR C 92 -8.285 6.089 14.267 1.00 0.00 O ATOM 2102 CB THR C 92 -11.006 6.612 13.638 1.00 0.00 C ATOM 2103 OG1 THR C 92 -11.089 5.222 13.984 1.00 0.00 O ATOM 2104 CG2 THR C 92 -10.343 6.770 12.273 1.00 0.00 C ATOM 0 H THR C 92 -9.754 8.893 13.350 1.00 0.00 H new ATOM 0 HA THR C 92 -10.887 7.414 15.623 1.00 0.00 H new ATOM 0 HB THR C 92 -12.014 7.022 13.575 1.00 0.00 H new ATOM 0 HG1 THR C 92 -11.569 4.738 13.280 1.00 0.00 H new ATOM 0 HG21 THR C 92 -10.898 6.197 11.530 1.00 0.00 H new ATOM 0 HG22 THR C 92 -10.339 7.823 11.990 1.00 0.00 H new ATOM 0 HG23 THR C 92 -9.318 6.403 12.322 1.00 0.00 H new ATOM 2112 N HIS C 93 -8.497 6.937 16.332 1.00 0.00 N ATOM 2113 CA HIS C 93 -7.218 6.417 16.791 1.00 0.00 C ATOM 2114 C HIS C 93 -7.387 4.995 17.316 1.00 0.00 C ATOM 2115 O HIS C 93 -7.054 4.696 18.464 1.00 0.00 O ATOM 2116 CB HIS C 93 -6.643 7.329 17.872 1.00 0.00 C ATOM 2117 CG HIS C 93 -5.172 7.155 18.111 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -4.207 7.755 17.330 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -4.501 6.461 19.062 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -3.012 7.438 17.788 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -3.161 6.656 18.837 1.00 0.00 N ATOM 0 H HIS C 93 -9.022 7.450 17.040 1.00 0.00 H new ATOM 0 HA HIS C 93 -6.521 6.392 15.953 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -6.834 8.366 17.595 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -7.175 7.146 18.806 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -4.939 5.866 19.850 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -2.070 7.765 17.373 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -2.403 6.259 19.393 1.00 0.00 H new ATOM 2130 N LEU C 94 -7.927 4.128 16.471 1.00 0.00 N ATOM 2131 CA LEU C 94 -8.140 2.733 16.832 1.00 0.00 C ATOM 2132 C LEU C 94 -7.343 1.810 15.915 1.00 0.00 C ATOM 2133 O LEU C 94 -7.826 1.411 14.855 1.00 0.00 O ATOM 2134 CB LEU C 94 -9.623 2.361 16.763 1.00 0.00 C ATOM 2135 CG LEU C 94 -10.525 2.934 17.866 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -10.787 4.417 17.651 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -11.838 2.169 17.923 1.00 0.00 C ATOM 0 H LEU C 94 -8.227 4.368 15.526 1.00 0.00 H new ATOM 0 HA LEU C 94 -7.795 2.607 17.858 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -10.012 2.689 15.799 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -9.704 1.274 16.787 1.00 0.00 H new ATOM 0 HG LEU C 94 -10.006 2.820 18.818 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -11.428 4.792 18.448 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -9.841 4.959 17.661 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -11.279 4.564 16.690 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -12.468 2.585 18.709 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -12.350 2.254 16.965 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -11.638 1.119 18.136 1.00 0.00 H new ATOM 2149 N PRO C 95 -6.094 1.492 16.286 1.00 0.00 N ATOM 2150 CA PRO C 95 -5.278 0.529 15.545 1.00 0.00 C ATOM 2151 C PRO C 95 -5.677 -0.911 15.866 1.00 0.00 C ATOM 2152 O PRO C 95 -5.679 -1.773 14.986 1.00 0.00 O ATOM 2153 CB PRO C 95 -3.862 0.824 16.040 1.00 0.00 C ATOM 2154 CG PRO C 95 -4.042 1.354 17.423 1.00 0.00 C ATOM 2155 CD PRO C 95 -5.370 2.066 17.439 1.00 0.00 C ATOM 0 HA PRO C 95 -5.390 0.624 14.465 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -3.247 -0.076 16.039 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -3.363 1.552 15.400 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -4.027 0.545 18.153 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -3.233 2.036 17.685 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -5.905 1.893 18.373 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -5.247 3.144 17.337 1.00 0.00 H new ATOM 2163 N SER C 96 -6.040 -1.141 17.127 1.00 0.00 N ATOM 2164 CA SER C 96 -6.446 -2.454 17.614 1.00 0.00 C ATOM 2165 C SER C 96 -5.470 -3.546 17.174 1.00 0.00 C ATOM 2166 O SER C 96 -5.802 -4.409 16.357 1.00 0.00 O ATOM 2167 CB SER C 96 -7.866 -2.782 17.150 1.00 0.00 C ATOM 2168 OG SER C 96 -8.369 -3.917 17.835 1.00 0.00 O ATOM 0 H SER C 96 -6.060 -0.415 17.843 1.00 0.00 H new ATOM 0 HA SER C 96 -6.432 -2.421 18.703 1.00 0.00 H new ATOM 0 HB2 SER C 96 -8.518 -1.926 17.326 1.00 0.00 H new ATOM 0 HB3 SER C 96 -7.869 -2.969 16.076 1.00 0.00 H new ATOM 0 HG SER C 96 -8.579 -4.623 17.188 1.00 0.00 H new ATOM 2174 N GLY C 97 -4.267 -3.491 17.722 1.00 0.00 N ATOM 2175 CA GLY C 97 -3.267 -4.493 17.429 1.00 0.00 C ATOM 2176 C GLY C 97 -2.188 -4.514 18.486 1.00 0.00 C ATOM 2177 O GLY C 97 -2.256 -5.288 19.438 1.00 0.00 O ATOM 0 H GLY C 97 -3.964 -2.764 18.370 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -3.738 -5.474 17.367 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -2.821 -4.292 16.455 1.00 0.00 H new ATOM 2181 N ALA C 98 -1.203 -3.643 18.336 1.00 0.00 N ATOM 2182 CA ALA C 98 -0.141 -3.521 19.321 1.00 0.00 C ATOM 2183 C ALA C 98 -0.545 -2.534 20.412 1.00 0.00 C ATOM 2184 O ALA C 98 -0.039 -1.411 20.475 1.00 0.00 O ATOM 2185 CB ALA C 98 1.159 -3.089 18.656 1.00 0.00 C ATOM 0 H ALA C 98 -1.117 -3.010 17.541 1.00 0.00 H new ATOM 0 HA ALA C 98 0.022 -4.496 19.781 1.00 0.00 H new ATOM 0 HB1 ALA C 98 1.942 -3.003 19.409 1.00 0.00 H new ATOM 0 HB2 ALA C 98 1.451 -3.830 17.912 1.00 0.00 H new ATOM 0 HB3 ALA C 98 1.016 -2.124 18.170 1.00 0.00 H new ATOM 2191 N SER C 99 -1.473 -2.958 21.258 1.00 0.00 N ATOM 2192 CA SER C 99 -1.970 -2.120 22.339 1.00 0.00 C ATOM 2193 C SER C 99 -0.874 -1.856 23.365 1.00 0.00 C ATOM 2194 O SER C 99 -0.742 -0.745 23.882 1.00 0.00 O ATOM 2195 CB SER C 99 -3.171 -2.794 23.000 1.00 0.00 C ATOM 2196 OG SER C 99 -2.902 -4.163 23.258 1.00 0.00 O ATOM 0 H SER C 99 -1.899 -3.884 21.215 1.00 0.00 H new ATOM 0 HA SER C 99 -2.282 -1.161 21.926 1.00 0.00 H new ATOM 0 HB2 SER C 99 -3.412 -2.284 23.933 1.00 0.00 H new ATOM 0 HB3 SER C 99 -4.044 -2.706 22.354 1.00 0.00 H new ATOM 0 HG SER C 99 -3.683 -4.575 23.683 1.00 0.00 H new ATOM 2202 N SER C 100 -0.086 -2.882 23.640 1.00 0.00 N ATOM 2203 CA SER C 100 1.020 -2.775 24.571 1.00 0.00 C ATOM 2204 C SER C 100 2.180 -3.623 24.071 1.00 0.00 C ATOM 2205 O SER C 100 2.469 -4.690 24.617 1.00 0.00 O ATOM 2206 CB SER C 100 0.586 -3.222 25.973 1.00 0.00 C ATOM 2207 OG SER C 100 1.638 -3.076 26.912 1.00 0.00 O ATOM 0 H SER C 100 -0.196 -3.807 23.225 1.00 0.00 H new ATOM 0 HA SER C 100 1.340 -1.735 24.635 1.00 0.00 H new ATOM 0 HB2 SER C 100 -0.274 -2.634 26.294 1.00 0.00 H new ATOM 0 HB3 SER C 100 0.266 -4.264 25.942 1.00 0.00 H new ATOM 0 HG SER C 100 1.330 -3.367 27.796 1.00 0.00 H new ATOM 2213 N GLY C 101 2.818 -3.158 23.010 1.00 0.00 N ATOM 2214 CA GLY C 101 3.939 -3.875 22.453 1.00 0.00 C ATOM 2215 C GLY C 101 5.250 -3.346 22.977 1.00 0.00 C ATOM 2216 O GLY C 101 5.704 -3.820 24.038 1.00 0.00 O ATOM 2217 OXT GLY C 101 5.824 -2.443 22.337 1.00 0.00 O ATOM 0 H GLY C 101 2.577 -2.294 22.525 1.00 0.00 H new ATOM 0 HA2 GLY C 101 3.851 -4.934 22.694 1.00 0.00 H new ATOM 0 HA3 GLY C 101 3.921 -3.793 21.366 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.180 -2.175 -3.464 1.00 0.00 ZN