USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 640 hydrogens (15 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 NoAdj-H: A 84 AMH HO2 : A 84 AMH O2 : A 84 AMH C8 :(short bond) USER MOD Set 1.1: A 23 GLN : amide:sc= -0.0672 K(o=-1.1,f=-7.8!) USER MOD Set 1.2: A 28 GLN : amide:sc= -1.02! C(o=-1.1!,f=-5.8!) USER MOD Set 1.3: A 33 HIS : no HE2:sc= -0.0258 K(o=-1.1,f=-20!) USER MOD Set 2.1: A 14 SER OG : rot 56:sc= -2.85! USER MOD Set 2.2: A 49 ASN : amide:sc= 0.588 K(o=-2.3,f=-9.9!) USER MOD Single : A 2 MET CE :methyl 167:sc= -0.0902 (180deg=-0.589) USER MOD Single : A 3 HIS : no HE2:sc= 0.733 K(o=0.73,f=-6.8!) USER MOD Single : A 5 SER OG : rot -70:sc= 1.15 USER MOD Single : A 8 ASN : amide:sc= 0.897 K(o=0.9,f=-0.13) USER MOD Single : A 9 TYR OH : rot 161:sc= 1.73 USER MOD Single : A -3 SER OG : rot 180:sc= 0.136 USER MOD Single : A -4 THR N :NH3+ -128:sc= 1.55 (180deg=-4.02!) USER MOD Single : A -4 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 1.05! (180deg=-1.05!) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 2.02 (180deg=1.24) USER MOD Single : A 16 THR OG1 : rot -169:sc= -0.109 USER MOD Single : A 17 MET CE :methyl -160:sc= -0.042 (180deg=-0.459) USER MOD Single : A 18 SER OG : rot 46:sc= 1.19 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -41:sc= 0.205 USER MOD Single : A 31 HIS : no HE2:sc= -0.0732 K(o=-0.073,f=-3.2!) USER MOD Single : A 36 TYR OH : rot -165:sc= 0.423 USER MOD Single : A 39 SER OG : rot 158:sc= 0.845 USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -2.38 (180deg=-3) USER MOD Single : A 43 ASN : amide:sc= 0.0695 K(o=0.07,f=-6.9!) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 1.63 (180deg=1.38) USER MOD Single : A 45 ASN : amide:sc= -0.0268 K(o=-0.027,f=-7.3!) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 2.22 (180deg=1.54) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -0.174 (180deg=-1.28) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.553 K(o=0.55,f=-3.5!) USER MOD Single : A 65 THR OG1 : rot -75:sc= 1.56 USER MOD Single : A 66 THR OG1 : rot -114:sc= 1.37 USER MOD Single : A 69 ASN : amide:sc= -1.57 K(o=-1.6,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= 0.812 (180deg=-3.93!) USER MOD Single : A 81 THR OG1 : rot 32:sc= 2.16 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -4 -13.995 1.439 7.490 1.00 0.00 N ATOM 2 CA THR A -4 -14.220 2.341 8.600 1.00 0.00 C ATOM 3 C THR A -4 -13.846 3.738 8.090 1.00 0.00 C ATOM 4 O THR A -4 -13.989 3.992 6.900 1.00 0.00 O ATOM 5 CB THR A -4 -13.460 1.883 9.864 1.00 0.00 C ATOM 6 OG1 THR A -4 -12.072 2.123 9.774 1.00 0.00 O ATOM 7 CG2 THR A -4 -13.777 0.432 10.266 1.00 0.00 C ATOM 0 H1 THR A -4 -14.849 0.867 7.329 1.00 0.00 H new ATOM 0 H2 THR A -4 -13.780 1.989 6.634 1.00 0.00 H new ATOM 0 H3 THR A -4 -13.195 0.812 7.709 1.00 0.00 H new ATOM 0 HA THR A -4 -15.260 2.351 8.927 1.00 0.00 H new ATOM 0 HB THR A -4 -13.833 2.506 10.677 1.00 0.00 H new ATOM 0 HG1 THR A -4 -11.633 1.819 10.596 1.00 0.00 H new ATOM 0 HG21 THR A -4 -13.212 0.171 11.161 1.00 0.00 H new ATOM 0 HG22 THR A -4 -14.844 0.335 10.469 1.00 0.00 H new ATOM 0 HG23 THR A -4 -13.500 -0.239 9.453 1.00 0.00 H new ATOM 17 N SER A -3 -13.358 4.598 9.001 1.00 0.00 N ATOM 18 CA SER A -3 -12.952 5.957 8.678 1.00 0.00 C ATOM 19 C SER A -3 -11.936 5.979 7.518 1.00 0.00 C ATOM 20 O SER A -3 -10.861 5.389 7.601 1.00 0.00 O ATOM 21 CB SER A -3 -12.347 6.549 9.958 1.00 0.00 C ATOM 22 OG SER A -3 -13.033 5.988 11.075 1.00 0.00 O ATOM 0 H SER A -3 -13.238 4.358 9.985 1.00 0.00 H new ATOM 0 HA SER A -3 -13.806 6.546 8.343 1.00 0.00 H new ATOM 0 HB2 SER A -3 -11.282 6.325 10.014 1.00 0.00 H new ATOM 0 HB3 SER A -3 -12.445 7.635 9.958 1.00 0.00 H new ATOM 0 HG SER A -3 -12.660 6.352 11.905 1.00 0.00 H new ATOM 28 N GLU A -2 -12.357 6.669 6.431 1.00 0.00 N ATOM 29 CA GLU A -2 -11.545 6.821 5.219 1.00 0.00 C ATOM 30 C GLU A -2 -11.095 5.454 4.662 1.00 0.00 C ATOM 31 O GLU A -2 -10.053 5.329 4.025 1.00 0.00 O ATOM 32 CB GLU A -2 -10.282 7.664 5.493 1.00 0.00 C ATOM 33 CG GLU A -2 -10.495 9.001 6.223 1.00 0.00 C ATOM 34 CD GLU A -2 -10.775 8.815 7.727 1.00 0.00 C ATOM 35 OE1 GLU A -2 -9.940 8.235 8.427 1.00 0.00 O ATOM 36 OE2 GLU A -2 -11.844 9.215 8.180 1.00 0.00 O ATOM 0 H GLU A -2 -13.265 7.130 6.378 1.00 0.00 H new ATOM 0 HA GLU A -2 -12.178 7.325 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A -2 -9.590 7.061 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A -2 -9.795 7.869 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A -2 -9.611 9.625 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A -2 -11.329 9.533 5.765 1.00 0.00 H new ATOM 43 N GLU A -1 -11.909 4.439 5.005 1.00 0.00 N ATOM 44 CA GLU A -1 -11.505 3.074 4.753 1.00 0.00 C ATOM 45 C GLU A -1 -12.653 2.214 4.237 1.00 0.00 C ATOM 46 O GLU A -1 -13.552 1.814 4.969 1.00 0.00 O ATOM 47 CB GLU A -1 -10.975 2.533 6.086 1.00 0.00 C ATOM 48 CG GLU A -1 -10.533 1.061 6.055 1.00 0.00 C ATOM 49 CD GLU A -1 -10.971 0.342 7.336 1.00 0.00 C ATOM 50 OE1 GLU A -1 -10.323 0.495 8.363 1.00 0.00 O ATOM 51 OE2 GLU A -1 -11.999 -0.328 7.314 1.00 0.00 O ATOM 0 H GLU A -1 -12.823 4.548 5.445 1.00 0.00 H new ATOM 0 HA GLU A -1 -10.745 3.044 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -10.129 3.145 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -11.751 2.649 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -10.964 0.564 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -9.450 1.003 5.950 1.00 0.00 H new ATOM 58 N CYS A 1 -12.443 1.896 2.951 1.00 0.00 N ATOM 59 CA CYS A 1 -13.183 0.942 2.155 1.00 0.00 C ATOM 60 C CYS A 1 -12.705 1.131 0.711 1.00 0.00 C ATOM 61 O CYS A 1 -12.021 2.103 0.406 1.00 0.00 O ATOM 62 CB CYS A 1 -14.708 1.032 2.299 1.00 0.00 C ATOM 63 SG CYS A 1 -15.491 2.489 1.566 1.00 0.00 S ATOM 0 H CYS A 1 -11.696 2.337 2.415 1.00 0.00 H new ATOM 0 HA CYS A 1 -12.979 -0.067 2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -15.148 0.142 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -14.955 1.007 3.360 1.00 0.00 H new ATOM 68 N MET A 2 -13.080 0.167 -0.143 1.00 0.00 N ATOM 69 CA MET A 2 -12.722 0.213 -1.549 1.00 0.00 C ATOM 70 C MET A 2 -13.986 0.243 -2.411 1.00 0.00 C ATOM 71 O MET A 2 -14.793 -0.678 -2.408 1.00 0.00 O ATOM 72 CB MET A 2 -11.931 -1.047 -1.960 1.00 0.00 C ATOM 73 CG MET A 2 -10.515 -0.710 -2.428 1.00 0.00 C ATOM 74 SD MET A 2 -9.406 -2.133 -2.528 1.00 0.00 S ATOM 75 CE MET A 2 -10.533 -3.457 -3.001 1.00 0.00 C ATOM 0 H MET A 2 -13.630 -0.649 0.125 1.00 0.00 H new ATOM 0 HA MET A 2 -12.117 1.107 -1.699 1.00 0.00 H new ATOM 0 HB2 MET A 2 -11.879 -1.734 -1.115 1.00 0.00 H new ATOM 0 HB3 MET A 2 -12.463 -1.564 -2.759 1.00 0.00 H new ATOM 0 HG2 MET A 2 -10.572 -0.239 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 2 -10.085 0.024 -1.747 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.959 -4.327 -3.320 1.00 0.00 H new ATOM 0 HE2 MET A 2 -11.156 -3.726 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 2 -11.167 -3.120 -3.821 1.00 0.00 H new ATOM 85 N HIS A 3 -14.025 1.306 -3.235 1.00 0.00 N ATOM 86 CA HIS A 3 -15.010 1.330 -4.309 1.00 0.00 C ATOM 87 C HIS A 3 -14.556 0.306 -5.377 1.00 0.00 C ATOM 88 O HIS A 3 -15.347 -0.360 -6.028 1.00 0.00 O ATOM 89 CB HIS A 3 -15.061 2.717 -4.961 1.00 0.00 C ATOM 90 CG HIS A 3 -15.753 3.738 -4.083 1.00 0.00 C ATOM 91 ND1 HIS A 3 -15.801 3.700 -2.734 1.00 0.00 N ATOM 92 CD2 HIS A 3 -16.451 4.881 -4.510 1.00 0.00 C ATOM 93 CE1 HIS A 3 -16.503 4.780 -2.353 1.00 0.00 C ATOM 94 NE2 HIS A 3 -16.908 5.512 -3.405 1.00 0.00 N ATOM 0 H HIS A 3 -13.413 2.120 -3.178 1.00 0.00 H new ATOM 0 HA HIS A 3 -15.996 1.091 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -14.046 3.053 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -15.583 2.649 -5.916 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -15.387 2.993 -2.126 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -16.596 5.197 -5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.716 5.030 -1.324 1.00 0.00 H new ATOM 102 N GLY A 4 -13.211 0.251 -5.488 1.00 0.00 N ATOM 103 CA GLY A 4 -12.555 -0.656 -6.417 1.00 0.00 C ATOM 104 C GLY A 4 -11.042 -0.688 -6.148 1.00 0.00 C ATOM 105 O GLY A 4 -10.489 -1.723 -5.803 1.00 0.00 O ATOM 0 H GLY A 4 -12.571 0.828 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.971 -1.658 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.743 -0.337 -7.442 1.00 0.00 H new ATOM 109 N SER A 5 -10.409 0.499 -6.299 1.00 0.00 N ATOM 110 CA SER A 5 -8.951 0.588 -6.147 1.00 0.00 C ATOM 111 C SER A 5 -8.480 1.235 -4.841 1.00 0.00 C ATOM 112 O SER A 5 -7.299 1.204 -4.530 1.00 0.00 O ATOM 113 CB SER A 5 -8.404 1.381 -7.344 1.00 0.00 C ATOM 114 OG SER A 5 -8.989 0.905 -8.543 1.00 0.00 O ATOM 0 H SER A 5 -10.874 1.380 -6.519 1.00 0.00 H new ATOM 0 HA SER A 5 -8.568 -0.432 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.621 2.442 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.320 1.281 -7.393 1.00 0.00 H new ATOM 0 HG SER A 5 -8.650 0.006 -8.738 1.00 0.00 H new ATOM 120 N GLY A 6 -9.434 1.816 -4.090 1.00 0.00 N ATOM 121 CA GLY A 6 -9.061 2.407 -2.803 1.00 0.00 C ATOM 122 C GLY A 6 -8.170 3.650 -2.961 1.00 0.00 C ATOM 123 O GLY A 6 -7.373 4.007 -2.103 1.00 0.00 O ATOM 0 H GLY A 6 -10.421 1.886 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.964 2.679 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.537 1.663 -2.203 1.00 0.00 H new ATOM 127 N GLU A 7 -8.380 4.316 -4.104 1.00 0.00 N ATOM 128 CA GLU A 7 -7.578 5.506 -4.397 1.00 0.00 C ATOM 129 C GLU A 7 -7.719 6.592 -3.304 1.00 0.00 C ATOM 130 O GLU A 7 -6.756 7.249 -2.936 1.00 0.00 O ATOM 131 CB GLU A 7 -7.900 6.033 -5.810 1.00 0.00 C ATOM 132 CG GLU A 7 -6.648 6.186 -6.692 1.00 0.00 C ATOM 133 CD GLU A 7 -5.738 7.335 -6.231 1.00 0.00 C ATOM 134 OE1 GLU A 7 -5.056 7.205 -5.217 1.00 0.00 O ATOM 135 OE2 GLU A 7 -5.682 8.361 -6.904 1.00 0.00 O ATOM 0 H GLU A 7 -9.069 4.064 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.526 5.219 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.599 5.352 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.400 6.998 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.084 5.253 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.954 6.361 -7.724 1.00 0.00 H new ATOM 142 N ASN A 8 -8.958 6.708 -2.780 1.00 0.00 N ATOM 143 CA ASN A 8 -9.239 7.711 -1.744 1.00 0.00 C ATOM 144 C ASN A 8 -9.157 7.094 -0.324 1.00 0.00 C ATOM 145 O ASN A 8 -9.414 7.757 0.672 1.00 0.00 O ATOM 146 CB ASN A 8 -10.638 8.299 -2.028 1.00 0.00 C ATOM 147 CG ASN A 8 -10.857 9.725 -1.489 1.00 0.00 C ATOM 148 OD1 ASN A 8 -11.040 10.660 -2.253 1.00 0.00 O ATOM 149 ND2 ASN A 8 -10.874 9.856 -0.160 1.00 0.00 N ATOM 0 H ASN A 8 -9.757 6.134 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.490 8.503 -1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.804 8.303 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.389 7.641 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.046 10.769 0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.715 9.043 0.435 1.00 0.00 H new ATOM 156 N TYR A 9 -8.805 5.795 -0.274 1.00 0.00 N ATOM 157 CA TYR A 9 -8.648 5.106 1.006 1.00 0.00 C ATOM 158 C TYR A 9 -7.304 5.577 1.612 1.00 0.00 C ATOM 159 O TYR A 9 -6.289 5.596 0.926 1.00 0.00 O ATOM 160 CB TYR A 9 -8.794 3.591 0.746 1.00 0.00 C ATOM 161 CG TYR A 9 -7.899 2.725 1.573 1.00 0.00 C ATOM 162 CD1 TYR A 9 -8.092 2.676 2.939 1.00 0.00 C ATOM 163 CD2 TYR A 9 -6.887 1.967 0.998 1.00 0.00 C ATOM 164 CE1 TYR A 9 -7.313 1.866 3.733 1.00 0.00 C ATOM 165 CE2 TYR A 9 -6.073 1.178 1.798 1.00 0.00 C ATOM 166 CZ TYR A 9 -6.285 1.126 3.171 1.00 0.00 C ATOM 167 OH TYR A 9 -5.495 0.382 4.025 1.00 0.00 O ATOM 0 H TYR A 9 -8.628 5.216 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.409 5.341 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.829 3.303 0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.593 3.396 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.864 3.281 3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.734 1.992 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.503 1.807 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.274 0.604 1.354 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.021 -0.307 3.515 1.00 0.00 H new ATOM 177 N ASP A 10 -7.340 6.001 2.893 1.00 0.00 N ATOM 178 CA ASP A 10 -6.145 6.651 3.443 1.00 0.00 C ATOM 179 C ASP A 10 -5.033 5.682 3.891 1.00 0.00 C ATOM 180 O ASP A 10 -3.850 5.985 3.748 1.00 0.00 O ATOM 181 CB ASP A 10 -6.557 7.565 4.612 1.00 0.00 C ATOM 182 CG ASP A 10 -6.878 6.800 5.907 1.00 0.00 C ATOM 183 OD1 ASP A 10 -7.535 5.761 5.859 1.00 0.00 O ATOM 184 OD2 ASP A 10 -6.475 7.227 6.982 1.00 0.00 O ATOM 0 H ASP A 10 -8.133 5.911 3.528 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.709 7.229 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.753 8.274 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.430 8.147 4.317 1.00 0.00 H new ATOM 189 N GLY A 11 -5.463 4.536 4.447 1.00 0.00 N ATOM 190 CA GLY A 11 -4.525 3.553 4.959 1.00 0.00 C ATOM 191 C GLY A 11 -4.902 3.133 6.387 1.00 0.00 C ATOM 192 O GLY A 11 -4.587 3.824 7.345 1.00 0.00 O ATOM 0 H GLY A 11 -6.445 4.280 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.516 2.679 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.517 3.967 4.951 1.00 0.00 H new ATOM 196 N LYS A 12 -5.538 1.942 6.464 1.00 0.00 N ATOM 197 CA LYS A 12 -5.892 1.314 7.746 1.00 0.00 C ATOM 198 C LYS A 12 -5.612 -0.223 7.729 1.00 0.00 C ATOM 199 O LYS A 12 -5.488 -0.843 8.777 1.00 0.00 O ATOM 200 CB LYS A 12 -7.359 1.560 8.154 1.00 0.00 C ATOM 201 CG LYS A 12 -7.893 3.006 8.110 1.00 0.00 C ATOM 202 CD LYS A 12 -7.309 3.944 9.178 1.00 0.00 C ATOM 203 CE LYS A 12 -8.167 5.197 9.440 1.00 0.00 C ATOM 204 NZ LYS A 12 -8.494 5.978 8.251 1.00 0.00 N ATOM 0 H LYS A 12 -5.815 1.399 5.646 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.253 1.792 8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.991 0.951 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.489 1.187 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.684 3.425 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.977 2.981 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.195 3.391 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.312 4.256 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.095 4.890 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.640 5.840 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.746 6.947 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.671 6.004 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.298 5.540 7.758 1.00 0.00 H new ATOM 218 N ILE A 13 -5.509 -0.808 6.512 1.00 0.00 N ATOM 219 CA ILE A 13 -5.229 -2.228 6.290 1.00 0.00 C ATOM 220 C ILE A 13 -3.916 -2.310 5.492 1.00 0.00 C ATOM 221 O ILE A 13 -3.683 -1.512 4.586 1.00 0.00 O ATOM 222 CB ILE A 13 -6.363 -2.903 5.482 1.00 0.00 C ATOM 223 CG1 ILE A 13 -7.761 -2.564 6.031 1.00 0.00 C ATOM 224 CG2 ILE A 13 -6.176 -4.428 5.409 1.00 0.00 C ATOM 225 CD1 ILE A 13 -8.385 -1.361 5.329 1.00 0.00 C ATOM 0 H ILE A 13 -5.623 -0.285 5.644 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.153 -2.745 7.247 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.298 -2.496 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.414 -3.429 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.690 -2.361 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.991 -4.867 4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.226 -4.655 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.178 -4.843 6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.370 -1.163 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.748 -0.488 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.484 -1.572 4.264 1.00 0.00 H new ATOM 237 N SER A 14 -3.078 -3.293 5.896 1.00 0.00 N ATOM 238 CA SER A 14 -1.766 -3.482 5.275 1.00 0.00 C ATOM 239 C SER A 14 -1.478 -4.964 4.947 1.00 0.00 C ATOM 240 O SER A 14 -0.329 -5.361 4.817 1.00 0.00 O ATOM 241 CB SER A 14 -0.700 -2.951 6.253 1.00 0.00 C ATOM 242 OG SER A 14 0.537 -2.617 5.661 1.00 0.00 O ATOM 0 H SER A 14 -3.292 -3.956 6.641 1.00 0.00 H new ATOM 0 HA SER A 14 -1.746 -2.940 4.330 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.096 -2.068 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.527 -3.704 7.022 1.00 0.00 H new ATOM 0 HG SER A 14 0.391 -1.965 4.944 1.00 0.00 H new ATOM 248 N LYS A 15 -2.547 -5.776 4.836 1.00 0.00 N ATOM 249 CA LYS A 15 -2.310 -7.202 4.595 1.00 0.00 C ATOM 250 C LYS A 15 -2.438 -7.487 3.091 1.00 0.00 C ATOM 251 O LYS A 15 -3.466 -7.233 2.468 1.00 0.00 O ATOM 252 CB LYS A 15 -3.288 -8.048 5.438 1.00 0.00 C ATOM 253 CG LYS A 15 -2.608 -9.247 6.126 1.00 0.00 C ATOM 254 CD LYS A 15 -2.092 -10.335 5.171 1.00 0.00 C ATOM 255 CE LYS A 15 -3.208 -11.202 4.577 1.00 0.00 C ATOM 256 NZ LYS A 15 -2.692 -12.145 3.589 1.00 0.00 N ATOM 0 H LYS A 15 -3.523 -5.489 4.905 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.301 -7.477 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.748 -7.414 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.091 -8.412 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.771 -8.879 6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.317 -9.699 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.538 -9.863 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.390 -10.975 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.708 -11.749 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.958 -10.562 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.313 -12.978 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.661 -11.688 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.733 -12.442 3.860 1.00 0.00 H new ATOM 270 N THR A 16 -1.328 -8.030 2.549 1.00 0.00 N ATOM 271 CA THR A 16 -1.296 -8.355 1.137 1.00 0.00 C ATOM 272 C THR A 16 -2.225 -9.547 0.866 1.00 0.00 C ATOM 273 O THR A 16 -2.273 -10.524 1.614 1.00 0.00 O ATOM 274 CB THR A 16 0.119 -8.589 0.612 1.00 0.00 C ATOM 275 OG1 THR A 16 0.614 -9.855 1.027 1.00 0.00 O ATOM 276 CG2 THR A 16 1.100 -7.501 1.056 1.00 0.00 C ATOM 0 H THR A 16 -0.473 -8.242 3.063 1.00 0.00 H new ATOM 0 HA THR A 16 -1.662 -7.492 0.581 1.00 0.00 H new ATOM 0 HB THR A 16 0.045 -8.558 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.573 -9.912 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.090 -7.718 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.762 -6.533 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.148 -7.476 2.145 1.00 0.00 H new ATOM 284 N MET A 17 -2.984 -9.361 -0.226 1.00 0.00 N ATOM 285 CA MET A 17 -4.047 -10.249 -0.667 1.00 0.00 C ATOM 286 C MET A 17 -3.623 -11.723 -0.716 1.00 0.00 C ATOM 287 O MET A 17 -4.374 -12.611 -0.336 1.00 0.00 O ATOM 288 CB MET A 17 -4.592 -9.749 -2.026 1.00 0.00 C ATOM 289 CG MET A 17 -3.716 -10.026 -3.260 1.00 0.00 C ATOM 290 SD MET A 17 -4.513 -9.434 -4.767 1.00 0.00 S ATOM 291 CE MET A 17 -5.808 -10.677 -4.926 1.00 0.00 C ATOM 0 H MET A 17 -2.862 -8.556 -0.841 1.00 0.00 H new ATOM 0 HA MET A 17 -4.846 -10.217 0.073 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.568 -10.205 -2.191 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.751 -8.673 -1.955 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.749 -9.538 -3.140 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.525 -11.096 -3.342 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.170 -10.696 -5.954 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.406 -11.656 -4.665 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.632 -10.432 -4.255 1.00 0.00 H new ATOM 301 N SER A 18 -2.390 -11.924 -1.208 1.00 0.00 N ATOM 302 CA SER A 18 -1.869 -13.267 -1.397 1.00 0.00 C ATOM 303 C SER A 18 -0.665 -13.538 -0.489 1.00 0.00 C ATOM 304 O SER A 18 0.065 -14.495 -0.713 1.00 0.00 O ATOM 305 CB SER A 18 -1.510 -13.418 -2.887 1.00 0.00 C ATOM 306 OG SER A 18 -1.149 -12.188 -3.492 1.00 0.00 O ATOM 0 H SER A 18 -1.750 -11.177 -1.476 1.00 0.00 H new ATOM 0 HA SER A 18 -2.620 -14.006 -1.118 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.685 -14.123 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.360 -13.844 -3.420 1.00 0.00 H new ATOM 0 HG SER A 18 -0.531 -11.704 -2.906 1.00 0.00 H new ATOM 312 N GLY A 19 -0.496 -12.689 0.550 1.00 0.00 N ATOM 313 CA GLY A 19 0.660 -12.940 1.397 1.00 0.00 C ATOM 314 C GLY A 19 0.563 -12.373 2.826 1.00 0.00 C ATOM 315 O GLY A 19 -0.263 -12.805 3.627 1.00 0.00 O ATOM 0 H GLY A 19 -1.091 -11.898 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.816 -14.017 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.542 -12.518 0.915 1.00 0.00 H new ATOM 319 N LEU A 20 1.543 -11.502 3.124 1.00 0.00 N ATOM 320 CA LEU A 20 1.885 -11.096 4.483 1.00 0.00 C ATOM 321 C LEU A 20 1.381 -9.701 4.866 1.00 0.00 C ATOM 322 O LEU A 20 0.864 -8.947 4.058 1.00 0.00 O ATOM 323 CB LEU A 20 3.434 -11.053 4.554 1.00 0.00 C ATOM 324 CG LEU A 20 4.187 -12.218 3.870 1.00 0.00 C ATOM 325 CD1 LEU A 20 4.582 -11.892 2.415 1.00 0.00 C ATOM 326 CD2 LEU A 20 5.456 -12.571 4.659 1.00 0.00 C ATOM 0 H LEU A 20 2.123 -11.059 2.412 1.00 0.00 H new ATOM 0 HA LEU A 20 1.417 -11.805 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.771 -10.119 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.727 -11.026 5.603 1.00 0.00 H new ATOM 0 HG LEU A 20 3.501 -13.065 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.108 -12.743 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.685 -11.684 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.233 -11.018 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.975 -13.393 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.112 -11.701 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.184 -12.870 5.671 1.00 0.00 H new ATOM 338 N GLU A 21 1.643 -9.392 6.153 1.00 0.00 N ATOM 339 CA GLU A 21 1.434 -8.035 6.644 1.00 0.00 C ATOM 340 C GLU A 21 2.608 -7.217 6.082 1.00 0.00 C ATOM 341 O GLU A 21 3.753 -7.659 6.098 1.00 0.00 O ATOM 342 CB GLU A 21 1.417 -8.027 8.183 1.00 0.00 C ATOM 343 CG GLU A 21 1.316 -6.627 8.828 1.00 0.00 C ATOM 344 CD GLU A 21 -0.010 -5.879 8.583 1.00 0.00 C ATOM 345 OE1 GLU A 21 -0.857 -6.357 7.828 1.00 0.00 O ATOM 346 OE2 GLU A 21 -0.180 -4.805 9.159 1.00 0.00 O ATOM 0 H GLU A 21 1.991 -10.053 6.848 1.00 0.00 H new ATOM 0 HA GLU A 21 0.479 -7.616 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.576 -8.630 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.324 -8.512 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.462 -6.730 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.134 -6.013 8.452 1.00 0.00 H new ATOM 353 N CYS A 22 2.263 -6.048 5.540 1.00 0.00 N ATOM 354 CA CYS A 22 3.258 -5.206 4.901 1.00 0.00 C ATOM 355 C CYS A 22 4.155 -4.449 5.895 1.00 0.00 C ATOM 356 O CYS A 22 3.899 -4.282 7.081 1.00 0.00 O ATOM 357 CB CYS A 22 2.572 -4.242 3.937 1.00 0.00 C ATOM 358 SG CYS A 22 2.292 -4.886 2.279 1.00 0.00 S ATOM 0 H CYS A 22 1.315 -5.672 5.533 1.00 0.00 H new ATOM 0 HA CYS A 22 3.927 -5.866 4.349 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.612 -3.949 4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.176 -3.338 3.861 1.00 0.00 H new ATOM 363 N GLN A 23 5.247 -4.029 5.243 1.00 0.00 N ATOM 364 CA GLN A 23 6.378 -3.278 5.737 1.00 0.00 C ATOM 365 C GLN A 23 6.036 -1.782 5.590 1.00 0.00 C ATOM 366 O GLN A 23 5.445 -1.352 4.607 1.00 0.00 O ATOM 367 CB GLN A 23 7.544 -3.757 4.850 1.00 0.00 C ATOM 368 CG GLN A 23 8.836 -2.923 4.869 1.00 0.00 C ATOM 369 CD GLN A 23 9.062 -2.293 3.485 1.00 0.00 C ATOM 370 OE1 GLN A 23 9.715 -2.836 2.608 1.00 0.00 O ATOM 371 NE2 GLN A 23 8.465 -1.120 3.339 1.00 0.00 N ATOM 0 H GLN A 23 5.358 -4.237 4.251 1.00 0.00 H new ATOM 0 HA GLN A 23 6.635 -3.423 6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.796 -4.775 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.188 -3.803 3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.767 -2.144 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.684 -3.553 5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.933 -0.719 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.537 -0.618 2.454 1.00 0.00 H new ATOM 380 N ALA A 24 6.410 -1.027 6.642 1.00 0.00 N ATOM 381 CA ALA A 24 6.102 0.401 6.700 1.00 0.00 C ATOM 382 C ALA A 24 6.764 1.194 5.557 1.00 0.00 C ATOM 383 O ALA A 24 7.824 0.838 5.072 1.00 0.00 O ATOM 384 CB ALA A 24 6.499 0.937 8.074 1.00 0.00 C ATOM 0 H ALA A 24 6.919 -1.384 7.450 1.00 0.00 H new ATOM 0 HA ALA A 24 5.029 0.533 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.273 2.002 8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.940 0.408 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.567 0.784 8.230 1.00 0.00 H new ATOM 390 N TRP A 25 6.062 2.263 5.142 1.00 0.00 N ATOM 391 CA TRP A 25 6.485 3.082 4.010 1.00 0.00 C ATOM 392 C TRP A 25 7.739 3.949 4.245 1.00 0.00 C ATOM 393 O TRP A 25 8.096 4.688 3.339 1.00 0.00 O ATOM 394 CB TRP A 25 5.350 4.025 3.569 1.00 0.00 C ATOM 395 CG TRP A 25 4.160 3.272 3.020 1.00 0.00 C ATOM 396 CD1 TRP A 25 3.042 2.860 3.746 1.00 0.00 C ATOM 397 CD2 TRP A 25 3.924 2.887 1.648 1.00 0.00 C ATOM 398 NE1 TRP A 25 2.163 2.263 2.908 1.00 0.00 N ATOM 399 CE2 TRP A 25 2.657 2.261 1.613 1.00 0.00 C ATOM 400 CE3 TRP A 25 4.646 3.032 0.494 1.00 0.00 C ATOM 401 CZ2 TRP A 25 2.151 1.800 0.428 1.00 0.00 C ATOM 402 CZ3 TRP A 25 4.134 2.563 -0.717 1.00 0.00 C ATOM 403 CH2 TRP A 25 2.882 1.948 -0.750 1.00 0.00 C ATOM 0 H TRP A 25 5.196 2.575 5.581 1.00 0.00 H new ATOM 0 HA TRP A 25 6.740 2.350 3.244 1.00 0.00 H new ATOM 0 HB2 TRP A 25 5.034 4.631 4.418 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.725 4.711 2.810 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.901 2.996 4.808 1.00 0.00 H new ATOM 0 HE1 TRP A 25 1.265 1.870 3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.614 3.510 0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 1.184 1.321 0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.706 2.676 -1.626 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.480 1.588 -1.685 1.00 0.00 H new ATOM 414 N ASP A 26 8.388 3.893 5.429 1.00 0.00 N ATOM 415 CA ASP A 26 9.589 4.728 5.586 1.00 0.00 C ATOM 416 C ASP A 26 10.810 3.902 5.117 1.00 0.00 C ATOM 417 O ASP A 26 10.779 3.299 4.051 1.00 0.00 O ATOM 418 CB ASP A 26 9.696 5.318 7.007 1.00 0.00 C ATOM 419 CG ASP A 26 10.806 6.393 7.081 1.00 0.00 C ATOM 420 OD1 ASP A 26 10.699 7.422 6.414 1.00 0.00 O ATOM 421 OD2 ASP A 26 11.785 6.169 7.786 1.00 0.00 O ATOM 0 H ASP A 26 8.124 3.323 6.233 1.00 0.00 H new ATOM 0 HA ASP A 26 9.537 5.615 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.741 5.757 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.909 4.521 7.720 1.00 0.00 H new ATOM 426 N SER A 27 11.876 3.887 5.939 1.00 0.00 N ATOM 427 CA SER A 27 13.071 3.125 5.617 1.00 0.00 C ATOM 428 C SER A 27 13.438 2.304 6.847 1.00 0.00 C ATOM 429 O SER A 27 13.703 2.820 7.925 1.00 0.00 O ATOM 430 CB SER A 27 14.190 4.088 5.210 1.00 0.00 C ATOM 431 OG SER A 27 15.319 3.368 4.728 1.00 0.00 O ATOM 0 H SER A 27 11.923 4.394 6.823 1.00 0.00 H new ATOM 0 HA SER A 27 12.907 2.449 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.829 4.768 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.480 4.700 6.064 1.00 0.00 H new ATOM 0 HG SER A 27 16.024 3.999 4.471 1.00 0.00 H new ATOM 437 N GLN A 28 13.376 0.984 6.608 1.00 0.00 N ATOM 438 CA GLN A 28 13.575 0.015 7.664 1.00 0.00 C ATOM 439 C GLN A 28 14.322 -1.210 7.122 1.00 0.00 C ATOM 440 O GLN A 28 15.417 -1.559 7.548 1.00 0.00 O ATOM 441 CB GLN A 28 12.203 -0.292 8.320 1.00 0.00 C ATOM 442 CG GLN A 28 10.966 -0.605 7.432 1.00 0.00 C ATOM 443 CD GLN A 28 10.586 0.472 6.404 1.00 0.00 C ATOM 444 OE1 GLN A 28 10.169 1.561 6.772 1.00 0.00 O ATOM 445 NE2 GLN A 28 10.759 0.122 5.120 1.00 0.00 N ATOM 0 H GLN A 28 13.189 0.578 5.691 1.00 0.00 H new ATOM 0 HA GLN A 28 14.215 0.406 8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.346 -1.142 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.945 0.563 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.152 -1.538 6.900 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.109 -0.776 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.112 -0.806 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.538 0.784 4.377 1.00 0.00 H new ATOM 454 N SER A 29 13.631 -1.844 6.170 1.00 0.00 N ATOM 455 CA SER A 29 14.018 -3.066 5.483 1.00 0.00 C ATOM 456 C SER A 29 12.881 -3.275 4.460 1.00 0.00 C ATOM 457 O SER A 29 11.894 -2.549 4.540 1.00 0.00 O ATOM 458 CB SER A 29 14.089 -4.264 6.468 1.00 0.00 C ATOM 459 OG SER A 29 14.395 -3.929 7.808 1.00 0.00 O ATOM 0 H SER A 29 12.732 -1.491 5.843 1.00 0.00 H new ATOM 0 HA SER A 29 15.005 -2.997 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.131 -4.784 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.840 -4.966 6.106 1.00 0.00 H new ATOM 0 HG SER A 29 15.098 -3.247 7.822 1.00 0.00 H new ATOM 465 N PRO A 30 13.018 -4.275 3.535 1.00 0.00 N ATOM 466 CA PRO A 30 14.260 -4.997 3.223 1.00 0.00 C ATOM 467 C PRO A 30 15.378 -4.119 2.627 1.00 0.00 C ATOM 468 O PRO A 30 16.543 -4.487 2.616 1.00 0.00 O ATOM 469 CB PRO A 30 13.831 -6.055 2.189 1.00 0.00 C ATOM 470 CG PRO A 30 12.315 -6.172 2.345 1.00 0.00 C ATOM 471 CD PRO A 30 11.872 -4.777 2.784 1.00 0.00 C ATOM 0 HA PRO A 30 14.691 -5.402 4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.101 -5.750 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.321 -7.010 2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.840 -6.464 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.048 -6.926 3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.643 -4.141 1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.974 -4.817 3.401 1.00 0.00 H new ATOM 479 N HIS A 31 14.947 -2.929 2.168 1.00 0.00 N ATOM 480 CA HIS A 31 15.857 -1.951 1.598 1.00 0.00 C ATOM 481 C HIS A 31 15.077 -0.637 1.537 1.00 0.00 C ATOM 482 O HIS A 31 13.853 -0.642 1.563 1.00 0.00 O ATOM 483 CB HIS A 31 16.287 -2.385 0.179 1.00 0.00 C ATOM 484 CG HIS A 31 17.373 -1.478 -0.364 1.00 0.00 C ATOM 485 ND1 HIS A 31 17.154 -0.311 -1.018 1.00 0.00 N ATOM 486 CD2 HIS A 31 18.760 -1.676 -0.276 1.00 0.00 C ATOM 487 CE1 HIS A 31 18.369 0.178 -1.315 1.00 0.00 C ATOM 488 NE2 HIS A 31 19.356 -0.624 -0.879 1.00 0.00 N ATOM 0 H HIS A 31 13.971 -2.633 2.186 1.00 0.00 H new ATOM 0 HA HIS A 31 16.763 -1.851 2.195 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.647 -3.414 0.203 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.425 -2.365 -0.488 1.00 0.00 H new ATOM 0 HD1 HIS A 31 16.251 0.110 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.258 -2.514 0.188 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.534 1.106 -1.842 1.00 0.00 H new ATOM 496 N ALA A 32 15.839 0.469 1.443 1.00 0.00 N ATOM 497 CA ALA A 32 15.219 1.774 1.275 1.00 0.00 C ATOM 498 C ALA A 32 14.600 1.826 -0.137 1.00 0.00 C ATOM 499 O ALA A 32 15.303 1.872 -1.139 1.00 0.00 O ATOM 500 CB ALA A 32 16.291 2.859 1.427 1.00 0.00 C ATOM 0 H ALA A 32 16.858 0.476 1.480 1.00 0.00 H new ATOM 0 HA ALA A 32 14.445 1.940 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.835 3.841 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.740 2.790 2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.061 2.718 0.669 1.00 0.00 H new ATOM 506 N HIS A 33 13.262 1.762 -0.137 1.00 0.00 N ATOM 507 CA HIS A 33 12.457 1.807 -1.354 1.00 0.00 C ATOM 508 C HIS A 33 11.997 3.266 -1.588 1.00 0.00 C ATOM 509 O HIS A 33 12.437 4.187 -0.912 1.00 0.00 O ATOM 510 CB HIS A 33 11.305 0.796 -1.193 1.00 0.00 C ATOM 511 CG HIS A 33 10.577 1.087 0.097 1.00 0.00 C ATOM 512 ND1 HIS A 33 9.883 2.219 0.327 1.00 0.00 N ATOM 513 CD2 HIS A 33 10.534 0.297 1.257 1.00 0.00 C ATOM 514 CE1 HIS A 33 9.434 2.131 1.581 1.00 0.00 C ATOM 515 NE2 HIS A 33 9.811 0.984 2.169 1.00 0.00 N ATOM 0 H HIS A 33 12.709 1.677 0.716 1.00 0.00 H new ATOM 0 HA HIS A 33 13.015 1.517 -2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.619 0.868 -2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.695 -0.222 -1.185 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.731 2.988 -0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.990 -0.672 1.394 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.839 2.891 2.065 1.00 0.00 H new ATOM 523 N GLY A 34 11.080 3.418 -2.566 1.00 0.00 N ATOM 524 CA GLY A 34 10.526 4.737 -2.880 1.00 0.00 C ATOM 525 C GLY A 34 9.207 4.956 -2.126 1.00 0.00 C ATOM 526 O GLY A 34 8.804 4.135 -1.315 1.00 0.00 O ATOM 0 H GLY A 34 10.718 2.655 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.241 5.513 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.357 4.822 -3.954 1.00 0.00 H new ATOM 530 N TYR A 36 8.552 6.092 -2.455 1.00 0.00 N ATOM 531 CA TYR A 36 7.261 6.465 -1.856 1.00 0.00 C ATOM 532 C TYR A 36 7.360 6.512 -0.313 1.00 0.00 C ATOM 533 O TYR A 36 6.649 5.819 0.401 1.00 0.00 O ATOM 534 CB TYR A 36 6.102 5.533 -2.280 1.00 0.00 C ATOM 535 CG TYR A 36 6.175 5.056 -3.704 1.00 0.00 C ATOM 536 CD1 TYR A 36 5.625 5.758 -4.770 1.00 0.00 C ATOM 537 CD2 TYR A 36 6.798 3.850 -3.958 1.00 0.00 C ATOM 538 CE1 TYR A 36 5.687 5.238 -6.060 1.00 0.00 C ATOM 539 CE2 TYR A 36 6.882 3.337 -5.236 1.00 0.00 C ATOM 540 CZ TYR A 36 6.318 4.025 -6.301 1.00 0.00 C ATOM 541 OH TYR A 36 6.371 3.524 -7.588 1.00 0.00 O ATOM 0 H TYR A 36 8.903 6.766 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 36 7.030 7.460 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.090 4.666 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.158 6.058 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 36 5.147 6.711 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.229 3.296 -3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.241 5.782 -6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.388 2.398 -5.408 1.00 0.00 H new ATOM 0 HH TYR A 36 6.624 2.578 -7.560 1.00 0.00 H new ATOM 551 N ILE A 37 8.308 7.350 0.143 1.00 0.00 N ATOM 552 CA ILE A 37 8.569 7.467 1.576 1.00 0.00 C ATOM 553 C ILE A 37 7.870 8.744 2.079 1.00 0.00 C ATOM 554 O ILE A 37 8.118 9.816 1.541 1.00 0.00 O ATOM 555 CB ILE A 37 10.101 7.463 1.808 1.00 0.00 C ATOM 556 CG1 ILE A 37 10.648 6.025 1.693 1.00 0.00 C ATOM 557 CG2 ILE A 37 10.493 8.105 3.153 1.00 0.00 C ATOM 558 CD1 ILE A 37 12.177 5.926 1.643 1.00 0.00 C ATOM 0 H ILE A 37 8.891 7.941 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 37 8.168 6.627 2.143 1.00 0.00 H new ATOM 0 HB ILE A 37 10.556 8.077 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.287 5.444 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.238 5.565 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.577 8.077 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.152 9.140 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.028 7.552 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.471 4.880 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.549 6.475 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.599 6.352 2.553 1.00 0.00 H new ATOM 570 N PRO A 38 6.997 8.619 3.130 1.00 0.00 N ATOM 571 CA PRO A 38 6.124 9.722 3.552 1.00 0.00 C ATOM 572 C PRO A 38 6.870 11.007 3.943 1.00 0.00 C ATOM 573 O PRO A 38 6.346 12.108 3.879 1.00 0.00 O ATOM 574 CB PRO A 38 5.351 9.167 4.767 1.00 0.00 C ATOM 575 CG PRO A 38 6.055 7.865 5.172 1.00 0.00 C ATOM 576 CD PRO A 38 6.825 7.414 3.935 1.00 0.00 C ATOM 0 HA PRO A 38 5.486 10.024 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.355 9.882 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.308 8.981 4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.727 8.028 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.333 7.109 5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.788 6.981 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.275 6.649 3.386 1.00 0.00 H new ATOM 584 N SER A 39 8.145 10.798 4.287 1.00 0.00 N ATOM 585 CA SER A 39 9.065 11.847 4.689 1.00 0.00 C ATOM 586 C SER A 39 9.378 12.853 3.552 1.00 0.00 C ATOM 587 O SER A 39 9.978 13.893 3.784 1.00 0.00 O ATOM 588 CB SER A 39 10.302 11.117 5.239 1.00 0.00 C ATOM 589 OG SER A 39 9.819 9.891 5.781 1.00 0.00 O ATOM 0 H SER A 39 8.568 9.870 4.291 1.00 0.00 H new ATOM 0 HA SER A 39 8.628 12.489 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.032 10.935 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.800 11.713 6.003 1.00 0.00 H new ATOM 0 HG SER A 39 10.551 9.241 5.822 1.00 0.00 H new ATOM 595 N LYS A 40 8.929 12.496 2.328 1.00 0.00 N ATOM 596 CA LYS A 40 9.094 13.343 1.147 1.00 0.00 C ATOM 597 C LYS A 40 7.739 13.926 0.697 1.00 0.00 C ATOM 598 O LYS A 40 7.660 14.595 -0.325 1.00 0.00 O ATOM 599 CB LYS A 40 9.638 12.498 -0.026 1.00 0.00 C ATOM 600 CG LYS A 40 11.114 12.070 0.071 1.00 0.00 C ATOM 601 CD LYS A 40 11.385 10.944 1.078 1.00 0.00 C ATOM 602 CE LYS A 40 12.754 10.288 0.845 1.00 0.00 C ATOM 603 NZ LYS A 40 13.046 9.181 1.757 1.00 0.00 N ATOM 0 H LYS A 40 8.447 11.617 2.142 1.00 0.00 H new ATOM 0 HA LYS A 40 9.781 14.147 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.026 11.600 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.506 13.065 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.451 11.748 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.714 12.938 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.341 11.344 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.602 10.190 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.800 9.922 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.531 11.045 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.064 8.968 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.774 9.447 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.509 8.340 1.465 1.00 0.00 H new ATOM 617 N PHE A 41 6.683 13.622 1.473 1.00 0.00 N ATOM 618 CA PHE A 41 5.343 14.048 1.095 1.00 0.00 C ATOM 619 C PHE A 41 4.756 14.985 2.165 1.00 0.00 C ATOM 620 O PHE A 41 4.428 14.549 3.259 1.00 0.00 O ATOM 621 CB PHE A 41 4.436 12.815 0.946 1.00 0.00 C ATOM 622 CG PHE A 41 4.822 11.990 -0.253 1.00 0.00 C ATOM 623 CD1 PHE A 41 5.757 10.974 -0.135 1.00 0.00 C ATOM 624 CD2 PHE A 41 4.253 12.229 -1.499 1.00 0.00 C ATOM 625 CE1 PHE A 41 6.118 10.203 -1.228 1.00 0.00 C ATOM 626 CE2 PHE A 41 4.607 11.456 -2.599 1.00 0.00 C ATOM 627 CZ PHE A 41 5.540 10.439 -2.465 1.00 0.00 C ATOM 0 H PHE A 41 6.738 13.095 2.344 1.00 0.00 H new ATOM 0 HA PHE A 41 5.399 14.584 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.500 12.204 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.398 13.134 0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.212 10.780 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.529 13.022 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.851 9.417 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.154 11.648 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.814 9.836 -3.318 1.00 0.00 H new ATOM 637 N PRO A 42 4.541 16.287 1.807 1.00 0.00 N ATOM 638 CA PRO A 42 3.648 17.127 2.611 1.00 0.00 C ATOM 639 C PRO A 42 2.172 16.666 2.509 1.00 0.00 C ATOM 640 O PRO A 42 1.307 17.066 3.286 1.00 0.00 O ATOM 641 CB PRO A 42 3.844 18.537 2.036 1.00 0.00 C ATOM 642 CG PRO A 42 4.373 18.324 0.614 1.00 0.00 C ATOM 643 CD PRO A 42 5.115 16.985 0.652 1.00 0.00 C ATOM 0 HA PRO A 42 3.880 17.075 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.906 19.092 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.549 19.112 2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.558 18.301 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.039 19.134 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.966 16.421 -0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.189 17.128 0.767 1.00 0.00 H new ATOM 651 N ASN A 43 1.954 15.751 1.538 1.00 0.00 N ATOM 652 CA ASN A 43 0.669 15.093 1.336 1.00 0.00 C ATOM 653 C ASN A 43 0.448 14.129 2.532 1.00 0.00 C ATOM 654 O ASN A 43 1.137 14.215 3.542 1.00 0.00 O ATOM 655 CB ASN A 43 0.737 14.377 -0.031 1.00 0.00 C ATOM 656 CG ASN A 43 -0.641 13.967 -0.558 1.00 0.00 C ATOM 657 OD1 ASN A 43 -1.134 12.888 -0.266 1.00 0.00 O ATOM 658 ND2 ASN A 43 -1.239 14.879 -1.331 1.00 0.00 N ATOM 0 H ASN A 43 2.673 15.456 0.878 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.178 15.778 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.217 15.034 -0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.364 13.490 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.165 14.693 -1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.770 15.761 -1.535 1.00 0.00 H new ATOM 665 N LYS A 44 -0.541 13.234 2.421 1.00 0.00 N ATOM 666 CA LYS A 44 -0.762 12.259 3.485 1.00 0.00 C ATOM 667 C LYS A 44 -1.249 10.944 2.856 1.00 0.00 C ATOM 668 O LYS A 44 -2.056 10.198 3.405 1.00 0.00 O ATOM 669 CB LYS A 44 -1.631 12.809 4.636 1.00 0.00 C ATOM 670 CG LYS A 44 -2.724 13.826 4.254 1.00 0.00 C ATOM 671 CD LYS A 44 -2.269 15.294 4.100 1.00 0.00 C ATOM 672 CE LYS A 44 -1.469 15.842 5.297 1.00 0.00 C ATOM 673 NZ LYS A 44 -0.012 15.826 5.123 1.00 0.00 N ATOM 0 H LYS A 44 -1.181 13.167 1.630 1.00 0.00 H new ATOM 0 HA LYS A 44 0.178 12.041 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.110 11.966 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.971 13.277 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.175 13.507 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.507 13.788 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.659 15.380 3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.148 15.920 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.787 16.867 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.721 15.258 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.448 16.082 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.293 14.874 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.257 16.511 4.388 1.00 0.00 H new ATOM 687 N ASN A 45 -0.672 10.726 1.659 1.00 0.00 N ATOM 688 CA ASN A 45 -0.921 9.540 0.855 1.00 0.00 C ATOM 689 C ASN A 45 -0.466 8.292 1.631 1.00 0.00 C ATOM 690 O ASN A 45 -1.297 7.548 2.140 1.00 0.00 O ATOM 691 CB ASN A 45 -0.304 9.668 -0.562 1.00 0.00 C ATOM 692 CG ASN A 45 1.184 10.089 -0.573 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.730 10.508 0.437 1.00 0.00 O ATOM 694 ND2 ASN A 45 1.824 9.935 -1.741 1.00 0.00 N ATOM 0 H ASN A 45 -0.017 11.380 1.230 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.991 9.433 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.403 8.712 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.880 10.397 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.813 10.172 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.322 9.581 -2.555 1.00 0.00 H new ATOM 701 N LEU A 46 0.870 8.100 1.717 1.00 0.00 N ATOM 702 CA LEU A 46 1.388 6.947 2.452 1.00 0.00 C ATOM 703 C LEU A 46 0.950 7.051 3.924 1.00 0.00 C ATOM 704 O LEU A 46 0.362 8.039 4.357 1.00 0.00 O ATOM 705 CB LEU A 46 2.923 6.823 2.336 1.00 0.00 C ATOM 706 CG LEU A 46 3.495 6.567 0.923 1.00 0.00 C ATOM 707 CD1 LEU A 46 2.518 5.871 -0.037 1.00 0.00 C ATOM 708 CD2 LEU A 46 4.093 7.836 0.305 1.00 0.00 C ATOM 0 H LEU A 46 1.576 8.707 1.301 1.00 0.00 H new ATOM 0 HA LEU A 46 0.973 6.041 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.368 7.740 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.249 6.012 2.987 1.00 0.00 H new ATOM 0 HG LEU A 46 4.306 5.855 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.998 5.729 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.234 4.902 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.628 6.488 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.483 7.609 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.320 8.601 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.902 8.202 0.937 1.00 0.00 H new ATOM 720 N LYS A 47 1.209 5.963 4.661 1.00 0.00 N ATOM 721 CA LYS A 47 0.819 5.951 6.061 1.00 0.00 C ATOM 722 C LYS A 47 1.859 5.112 6.809 1.00 0.00 C ATOM 723 O LYS A 47 3.037 5.188 6.490 1.00 0.00 O ATOM 724 CB LYS A 47 -0.654 5.504 6.140 1.00 0.00 C ATOM 725 CG LYS A 47 -1.441 6.224 7.245 1.00 0.00 C ATOM 726 CD LYS A 47 -2.830 6.699 6.783 1.00 0.00 C ATOM 727 CE LYS A 47 -2.817 7.987 5.930 1.00 0.00 C ATOM 728 NZ LYS A 47 -2.268 7.879 4.573 1.00 0.00 N ATOM 0 H LYS A 47 1.668 5.117 4.323 1.00 0.00 H new ATOM 0 HA LYS A 47 0.829 6.922 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.136 5.688 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.693 4.429 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.557 5.553 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.866 7.083 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.299 5.902 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.453 6.867 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.841 8.354 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.246 8.744 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.496 8.740 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.235 7.767 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.683 7.053 4.095 1.00 0.00 H new ATOM 742 N LYS A 48 1.392 4.296 7.780 1.00 0.00 N ATOM 743 CA LYS A 48 2.334 3.433 8.498 1.00 0.00 C ATOM 744 C LYS A 48 2.911 2.393 7.511 1.00 0.00 C ATOM 745 O LYS A 48 3.990 2.563 6.968 1.00 0.00 O ATOM 746 CB LYS A 48 1.664 2.804 9.739 1.00 0.00 C ATOM 747 CG LYS A 48 1.017 3.831 10.685 1.00 0.00 C ATOM 748 CD LYS A 48 1.951 4.932 11.220 1.00 0.00 C ATOM 749 CE LYS A 48 3.011 4.440 12.217 1.00 0.00 C ATOM 750 NZ LYS A 48 4.155 3.782 11.586 1.00 0.00 N ATOM 0 H LYS A 48 0.417 4.222 8.069 1.00 0.00 H new ATOM 0 HA LYS A 48 3.170 4.017 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.902 2.097 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.410 2.234 10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.188 4.307 10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.592 3.297 11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.455 5.404 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.347 5.701 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.368 5.288 12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.544 3.746 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.011 3.957 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.980 2.758 11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.289 4.162 10.627 1.00 0.00 H new ATOM 764 N ASN A 49 2.103 1.350 7.284 1.00 0.00 N ATOM 765 CA ASN A 49 2.371 0.283 6.315 1.00 0.00 C ATOM 766 C ASN A 49 1.156 0.090 5.392 1.00 0.00 C ATOM 767 O ASN A 49 1.232 -0.517 4.330 1.00 0.00 O ATOM 768 CB ASN A 49 2.775 -1.005 7.064 1.00 0.00 C ATOM 769 CG ASN A 49 1.674 -1.498 8.021 1.00 0.00 C ATOM 770 OD1 ASN A 49 0.785 -0.748 8.412 1.00 0.00 O ATOM 771 ND2 ASN A 49 1.772 -2.795 8.339 1.00 0.00 N ATOM 0 H ASN A 49 1.222 1.223 7.783 1.00 0.00 H new ATOM 0 HA ASN A 49 3.208 0.556 5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.000 -1.788 6.340 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.689 -0.822 7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.076 -3.225 8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.543 -3.353 7.972 1.00 0.00 H new ATOM 778 N TYR A 50 0.028 0.640 5.864 1.00 0.00 N ATOM 779 CA TYR A 50 -1.262 0.547 5.194 1.00 0.00 C ATOM 780 C TYR A 50 -1.175 0.913 3.698 1.00 0.00 C ATOM 781 O TYR A 50 -0.513 1.864 3.306 1.00 0.00 O ATOM 782 CB TYR A 50 -2.263 1.450 5.906 1.00 0.00 C ATOM 783 CG TYR A 50 -2.273 1.300 7.409 1.00 0.00 C ATOM 784 CD1 TYR A 50 -2.470 0.063 8.006 1.00 0.00 C ATOM 785 CD2 TYR A 50 -2.109 2.410 8.228 1.00 0.00 C ATOM 786 CE1 TYR A 50 -2.499 -0.074 9.387 1.00 0.00 C ATOM 787 CE2 TYR A 50 -2.140 2.284 9.609 1.00 0.00 C ATOM 788 CZ TYR A 50 -2.326 1.044 10.197 1.00 0.00 C ATOM 789 OH TYR A 50 -2.333 0.967 11.577 1.00 0.00 O ATOM 0 H TYR A 50 -0.006 1.168 6.736 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.593 -0.490 5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.040 2.488 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.262 1.238 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.603 -0.810 7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.956 3.383 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.655 -1.046 9.832 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.018 3.159 10.230 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.195 1.860 11.955 1.00 0.00 H new ATOM 799 N CYS A 51 -1.855 0.067 2.912 1.00 0.00 N ATOM 800 CA CYS A 51 -1.816 0.150 1.457 1.00 0.00 C ATOM 801 C CYS A 51 -2.339 1.473 0.883 1.00 0.00 C ATOM 802 O CYS A 51 -3.174 2.148 1.473 1.00 0.00 O ATOM 803 CB CYS A 51 -2.612 -1.031 0.925 1.00 0.00 C ATOM 804 SG CYS A 51 -2.193 -2.498 1.882 1.00 0.00 S ATOM 0 H CYS A 51 -2.442 -0.687 3.270 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.775 0.116 1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.681 -0.828 0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.387 -1.192 -0.129 1.00 0.00 H new ATOM 809 N ARG A 52 -1.789 1.775 -0.310 1.00 0.00 N ATOM 810 CA ARG A 52 -2.133 2.986 -1.041 1.00 0.00 C ATOM 811 C ARG A 52 -2.072 2.703 -2.549 1.00 0.00 C ATOM 812 O ARG A 52 -1.973 1.565 -2.995 1.00 0.00 O ATOM 813 CB ARG A 52 -1.198 4.141 -0.618 1.00 0.00 C ATOM 814 CG ARG A 52 -1.648 4.814 0.679 1.00 0.00 C ATOM 815 CD ARG A 52 -3.052 5.446 0.585 1.00 0.00 C ATOM 816 NE ARG A 52 -3.204 6.250 -0.634 1.00 0.00 N ATOM 817 CZ ARG A 52 -4.195 6.099 -1.553 1.00 0.00 C ATOM 818 NH1 ARG A 52 -5.180 5.238 -1.345 1.00 0.00 N ATOM 819 NH2 ARG A 52 -4.171 6.835 -2.660 1.00 0.00 N ATOM 0 H ARG A 52 -1.102 1.186 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.150 3.296 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.186 3.757 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.160 4.884 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.642 4.078 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.927 5.586 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.807 4.660 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.228 6.073 1.459 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.512 6.979 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.199 4.682 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.919 5.131 -2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.415 7.503 -2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.908 6.732 -3.357 1.00 0.00 H new ATOM 833 N ASN A 53 -2.178 3.828 -3.287 1.00 0.00 N ATOM 834 CA ASN A 53 -2.238 3.848 -4.741 1.00 0.00 C ATOM 835 C ASN A 53 -1.299 4.940 -5.298 1.00 0.00 C ATOM 836 O ASN A 53 -1.758 5.841 -5.986 1.00 0.00 O ATOM 837 CB ASN A 53 -3.708 4.194 -5.087 1.00 0.00 C ATOM 838 CG ASN A 53 -4.655 3.086 -4.649 1.00 0.00 C ATOM 839 OD1 ASN A 53 -5.119 3.086 -3.517 1.00 0.00 O ATOM 840 ND2 ASN A 53 -4.913 2.162 -5.586 1.00 0.00 N ATOM 0 H ASN A 53 -2.224 4.758 -2.870 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.927 2.896 -5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.988 5.128 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.803 4.353 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.539 1.384 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.483 2.237 -6.508 1.00 0.00 H new ATOM 847 N PRO A 54 0.039 4.878 -5.021 1.00 0.00 N ATOM 848 CA PRO A 54 0.930 5.946 -5.496 1.00 0.00 C ATOM 849 C PRO A 54 0.925 6.143 -7.029 1.00 0.00 C ATOM 850 O PRO A 54 0.796 7.247 -7.551 1.00 0.00 O ATOM 851 CB PRO A 54 2.320 5.519 -5.004 1.00 0.00 C ATOM 852 CG PRO A 54 2.079 4.488 -3.903 1.00 0.00 C ATOM 853 CD PRO A 54 0.740 3.845 -4.253 1.00 0.00 C ATOM 0 HA PRO A 54 0.604 6.913 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.907 5.092 -5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.878 6.374 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.878 3.747 -3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.046 4.959 -2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.875 2.936 -4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.184 3.568 -3.357 1.00 0.00 H new ATOM 861 N ASP A 55 0.993 4.975 -7.690 1.00 0.00 N ATOM 862 CA ASP A 55 0.929 4.863 -9.146 1.00 0.00 C ATOM 863 C ASP A 55 -0.512 4.521 -9.588 1.00 0.00 C ATOM 864 O ASP A 55 -0.799 4.286 -10.753 1.00 0.00 O ATOM 865 CB ASP A 55 1.874 3.722 -9.568 1.00 0.00 C ATOM 866 CG ASP A 55 1.460 2.382 -8.934 1.00 0.00 C ATOM 867 OD1 ASP A 55 1.755 2.161 -7.767 1.00 0.00 O ATOM 868 OD2 ASP A 55 0.859 1.539 -9.592 1.00 0.00 O ATOM 0 H ASP A 55 1.095 4.077 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 55 1.222 5.805 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.870 3.628 -10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.895 3.965 -9.272 1.00 0.00 H new ATOM 873 N ARG A 56 -1.369 4.482 -8.552 1.00 0.00 N ATOM 874 CA ARG A 56 -2.769 4.124 -8.613 1.00 0.00 C ATOM 875 C ARG A 56 -3.055 2.885 -9.469 1.00 0.00 C ATOM 876 O ARG A 56 -3.673 2.898 -10.525 1.00 0.00 O ATOM 877 CB ARG A 56 -3.725 5.316 -8.741 1.00 0.00 C ATOM 878 CG ARG A 56 -3.321 6.377 -9.779 1.00 0.00 C ATOM 879 CD ARG A 56 -2.393 7.458 -9.193 1.00 0.00 C ATOM 880 NE ARG A 56 -3.069 8.099 -8.071 1.00 0.00 N ATOM 881 CZ ARG A 56 -2.470 8.748 -7.053 1.00 0.00 C ATOM 882 NH1 ARG A 56 -1.150 8.888 -6.994 1.00 0.00 N ATOM 883 NH2 ARG A 56 -3.239 9.242 -6.091 1.00 0.00 N ATOM 0 H ARG A 56 -1.072 4.715 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.031 3.765 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.715 4.940 -8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.810 5.798 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.821 5.889 -10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.219 6.851 -10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.455 7.012 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.144 8.196 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.088 8.052 -8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.562 8.499 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.724 9.384 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.251 9.125 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.818 9.739 -5.306 1.00 0.00 H new ATOM 897 N GLU A 57 -2.572 1.811 -8.823 1.00 0.00 N ATOM 898 CA GLU A 57 -2.735 0.443 -9.253 1.00 0.00 C ATOM 899 C GLU A 57 -4.220 0.091 -9.104 1.00 0.00 C ATOM 900 O GLU A 57 -4.967 0.766 -8.398 1.00 0.00 O ATOM 901 CB GLU A 57 -1.857 -0.379 -8.300 1.00 0.00 C ATOM 902 CG GLU A 57 -1.903 -1.906 -8.435 1.00 0.00 C ATOM 903 CD GLU A 57 -1.419 -2.392 -9.798 1.00 0.00 C ATOM 904 OE1 GLU A 57 -2.100 -2.156 -10.790 1.00 0.00 O ATOM 905 OE2 GLU A 57 -0.353 -2.994 -9.852 1.00 0.00 O ATOM 0 H GLU A 57 -2.040 1.892 -7.957 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.447 0.257 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.823 -0.060 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.138 -0.123 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.288 -2.354 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.924 -2.250 -8.273 1.00 0.00 H new ATOM 912 N LEU A 58 -4.583 -0.998 -9.804 1.00 0.00 N ATOM 913 CA LEU A 58 -5.948 -1.501 -9.826 1.00 0.00 C ATOM 914 C LEU A 58 -6.481 -1.709 -8.401 1.00 0.00 C ATOM 915 O LEU A 58 -7.570 -1.268 -8.062 1.00 0.00 O ATOM 916 CB LEU A 58 -5.962 -2.799 -10.653 1.00 0.00 C ATOM 917 CG LEU A 58 -7.365 -3.330 -11.009 1.00 0.00 C ATOM 918 CD1 LEU A 58 -7.299 -4.190 -12.278 1.00 0.00 C ATOM 919 CD2 LEU A 58 -8.009 -4.137 -9.869 1.00 0.00 C ATOM 0 H LEU A 58 -3.932 -1.546 -10.366 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.615 -0.775 -10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.409 -2.629 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.428 -3.571 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.995 -2.457 -11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.296 -4.559 -12.519 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.924 -3.588 -13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.630 -5.034 -12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.994 -4.484 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.381 -4.995 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.109 -3.505 -8.987 1.00 0.00 H new ATOM 931 N ARG A 59 -5.654 -2.423 -7.619 1.00 0.00 N ATOM 932 CA ARG A 59 -5.901 -2.724 -6.215 1.00 0.00 C ATOM 933 C ARG A 59 -4.831 -1.940 -5.406 1.00 0.00 C ATOM 934 O ARG A 59 -3.720 -1.770 -5.892 1.00 0.00 O ATOM 935 CB ARG A 59 -5.803 -4.259 -6.136 1.00 0.00 C ATOM 936 CG ARG A 59 -6.233 -4.930 -4.828 1.00 0.00 C ATOM 937 CD ARG A 59 -6.242 -6.464 -4.975 1.00 0.00 C ATOM 938 NE ARG A 59 -7.607 -7.003 -4.912 1.00 0.00 N ATOM 939 CZ ARG A 59 -8.105 -7.608 -3.806 1.00 0.00 C ATOM 940 NH1 ARG A 59 -7.383 -7.693 -2.709 1.00 0.00 N ATOM 941 NH2 ARG A 59 -9.329 -8.121 -3.769 1.00 0.00 N ATOM 0 H ARG A 59 -4.776 -2.812 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.866 -2.425 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.407 -4.676 -6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.769 -4.540 -6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.554 -4.641 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.226 -4.582 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.783 -6.742 -5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.637 -6.910 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.205 -6.919 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.441 -7.302 -2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.765 -8.150 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.930 -8.067 -4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.669 -8.569 -2.918 1.00 0.00 H new ATOM 955 N PRO A 61 -5.163 -1.454 -4.173 1.00 0.00 N ATOM 956 CA PRO A 61 -4.188 -0.719 -3.357 1.00 0.00 C ATOM 957 C PRO A 61 -3.119 -1.706 -2.863 1.00 0.00 C ATOM 958 O PRO A 61 -3.458 -2.821 -2.493 1.00 0.00 O ATOM 959 CB PRO A 61 -5.013 -0.157 -2.190 1.00 0.00 C ATOM 960 CG PRO A 61 -6.221 -1.089 -2.073 1.00 0.00 C ATOM 961 CD PRO A 61 -6.443 -1.646 -3.490 1.00 0.00 C ATOM 0 HA PRO A 61 -3.671 0.076 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.433 -0.145 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.324 0.869 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.031 -1.892 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.100 -0.551 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.722 -2.699 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.247 -1.117 -4.001 1.00 0.00 H new ATOM 969 N TRP A 62 -1.837 -1.289 -2.916 1.00 0.00 N ATOM 970 CA TRP A 62 -0.733 -2.173 -2.524 1.00 0.00 C ATOM 971 C TRP A 62 0.141 -1.513 -1.445 1.00 0.00 C ATOM 972 O TRP A 62 -0.004 -0.338 -1.120 1.00 0.00 O ATOM 973 CB TRP A 62 0.105 -2.534 -3.770 1.00 0.00 C ATOM 974 CG TRP A 62 0.694 -1.315 -4.436 1.00 0.00 C ATOM 975 CD1 TRP A 62 0.081 -0.558 -5.430 1.00 0.00 C ATOM 976 CD2 TRP A 62 1.974 -0.710 -4.189 1.00 0.00 C ATOM 977 NE1 TRP A 62 0.904 0.454 -5.793 1.00 0.00 N ATOM 978 CE2 TRP A 62 2.077 0.403 -5.051 1.00 0.00 C ATOM 979 CE3 TRP A 62 2.998 -1.014 -3.339 1.00 0.00 C ATOM 980 CZ2 TRP A 62 3.200 1.184 -5.024 1.00 0.00 C ATOM 981 CZ3 TRP A 62 4.140 -0.223 -3.305 1.00 0.00 C ATOM 982 CH2 TRP A 62 4.243 0.880 -4.150 1.00 0.00 C ATOM 0 H TRP A 62 -1.549 -0.360 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.144 -3.088 -2.097 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.909 -3.211 -3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -0.521 -3.069 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.897 -0.748 -5.846 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.693 1.152 -6.507 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.920 -1.874 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.279 2.038 -5.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.945 -0.462 -2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 62 5.128 1.498 -4.128 1.00 0.00 H new ATOM 993 N CYS A 63 1.078 -2.346 -0.958 1.00 0.00 N ATOM 994 CA CYS A 63 2.098 -1.930 -0.002 1.00 0.00 C ATOM 995 C CYS A 63 3.323 -2.821 -0.246 1.00 0.00 C ATOM 996 O CYS A 63 3.257 -3.810 -0.972 1.00 0.00 O ATOM 997 CB CYS A 63 1.608 -2.060 1.449 1.00 0.00 C ATOM 998 SG CYS A 63 0.779 -3.638 1.760 1.00 0.00 S ATOM 0 H CYS A 63 1.142 -3.329 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 63 2.341 -0.877 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.456 -1.959 2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.922 -1.243 1.672 1.00 0.00 H new ATOM 1003 N PHE A 64 4.443 -2.390 0.372 1.00 0.00 N ATOM 1004 CA PHE A 64 5.671 -3.170 0.306 1.00 0.00 C ATOM 1005 C PHE A 64 5.548 -4.285 1.347 1.00 0.00 C ATOM 1006 O PHE A 64 5.074 -4.039 2.448 1.00 0.00 O ATOM 1007 CB PHE A 64 6.883 -2.283 0.610 1.00 0.00 C ATOM 1008 CG PHE A 64 7.119 -1.265 -0.473 1.00 0.00 C ATOM 1009 CD1 PHE A 64 7.359 -1.684 -1.777 1.00 0.00 C ATOM 1010 CD2 PHE A 64 7.107 0.099 -0.195 1.00 0.00 C ATOM 1011 CE1 PHE A 64 7.584 -0.759 -2.784 1.00 0.00 C ATOM 1012 CE2 PHE A 64 7.350 1.024 -1.203 1.00 0.00 C ATOM 1013 CZ PHE A 64 7.598 0.590 -2.496 1.00 0.00 C ATOM 0 H PHE A 64 4.511 -1.525 0.908 1.00 0.00 H new ATOM 0 HA PHE A 64 5.814 -3.586 -0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.730 -1.773 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.770 -2.906 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.370 -2.739 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.908 0.440 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.749 -1.095 -3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.346 2.081 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.802 1.307 -3.277 1.00 0.00 H new ATOM 1023 N THR A 65 5.956 -5.508 0.970 1.00 0.00 N ATOM 1024 CA THR A 65 5.738 -6.613 1.899 1.00 0.00 C ATOM 1025 C THR A 65 6.932 -6.755 2.855 1.00 0.00 C ATOM 1026 O THR A 65 7.947 -6.083 2.736 1.00 0.00 O ATOM 1027 CB THR A 65 5.448 -7.928 1.143 1.00 0.00 C ATOM 1028 OG1 THR A 65 6.587 -8.752 1.036 1.00 0.00 O ATOM 1029 CG2 THR A 65 4.772 -7.720 -0.222 1.00 0.00 C ATOM 0 H THR A 65 6.409 -5.743 0.087 1.00 0.00 H new ATOM 0 HA THR A 65 4.856 -6.390 2.500 1.00 0.00 H new ATOM 0 HB THR A 65 4.722 -8.454 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.192 -8.388 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.600 -8.687 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.819 -7.210 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.417 -7.115 -0.859 1.00 0.00 H new ATOM 1037 N THR A 66 6.740 -7.693 3.798 1.00 0.00 N ATOM 1038 CA THR A 66 7.777 -8.025 4.759 1.00 0.00 C ATOM 1039 C THR A 66 8.702 -9.130 4.197 1.00 0.00 C ATOM 1040 O THR A 66 9.747 -9.413 4.768 1.00 0.00 O ATOM 1041 CB THR A 66 7.075 -8.470 6.051 1.00 0.00 C ATOM 1042 OG1 THR A 66 5.920 -9.216 5.694 1.00 0.00 O ATOM 1043 CG2 THR A 66 6.770 -7.271 6.975 1.00 0.00 C ATOM 0 H THR A 66 5.877 -8.226 3.906 1.00 0.00 H new ATOM 0 HA THR A 66 8.413 -7.164 4.963 1.00 0.00 H new ATOM 0 HB THR A 66 7.732 -9.112 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.117 -8.726 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.274 -7.625 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.701 -6.773 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.119 -6.568 6.455 1.00 0.00 H new ATOM 1051 N ASP A 67 8.271 -9.733 3.066 1.00 0.00 N ATOM 1052 CA ASP A 67 9.054 -10.778 2.415 1.00 0.00 C ATOM 1053 C ASP A 67 10.120 -10.121 1.507 1.00 0.00 C ATOM 1054 O ASP A 67 9.779 -9.409 0.568 1.00 0.00 O ATOM 1055 CB ASP A 67 8.116 -11.660 1.559 1.00 0.00 C ATOM 1056 CG ASP A 67 8.876 -12.690 0.697 1.00 0.00 C ATOM 1057 OD1 ASP A 67 9.981 -13.076 1.070 1.00 0.00 O ATOM 1058 OD2 ASP A 67 8.379 -13.066 -0.362 1.00 0.00 O ATOM 0 H ASP A 67 7.393 -9.509 2.598 1.00 0.00 H new ATOM 0 HA ASP A 67 9.546 -11.396 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.422 -12.185 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.519 -11.021 0.909 1.00 0.00 H new ATOM 1063 N PRO A 68 11.432 -10.412 1.756 1.00 0.00 N ATOM 1064 CA PRO A 68 12.490 -9.988 0.835 1.00 0.00 C ATOM 1065 C PRO A 68 12.389 -10.495 -0.623 1.00 0.00 C ATOM 1066 O PRO A 68 13.183 -10.113 -1.474 1.00 0.00 O ATOM 1067 CB PRO A 68 13.783 -10.525 1.473 1.00 0.00 C ATOM 1068 CG PRO A 68 13.435 -10.777 2.940 1.00 0.00 C ATOM 1069 CD PRO A 68 11.945 -11.117 2.930 1.00 0.00 C ATOM 0 HA PRO A 68 12.431 -8.905 0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.112 -11.442 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.596 -9.805 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.025 -11.595 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.637 -9.898 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.781 -12.192 2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.453 -10.783 3.843 1.00 0.00 H new ATOM 1077 N ASN A 69 11.398 -11.370 -0.888 1.00 0.00 N ATOM 1078 CA ASN A 69 11.186 -11.906 -2.232 1.00 0.00 C ATOM 1079 C ASN A 69 9.841 -11.422 -2.804 1.00 0.00 C ATOM 1080 O ASN A 69 9.435 -11.826 -3.894 1.00 0.00 O ATOM 1081 CB ASN A 69 11.281 -13.444 -2.231 1.00 0.00 C ATOM 1082 CG ASN A 69 12.690 -14.000 -1.938 1.00 0.00 C ATOM 1083 OD1 ASN A 69 12.870 -15.199 -1.788 1.00 0.00 O ATOM 1084 ND2 ASN A 69 13.693 -13.108 -1.893 1.00 0.00 N ATOM 0 H ASN A 69 10.740 -11.714 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 69 11.976 -11.530 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.588 -13.837 -1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.952 -13.816 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.649 -13.423 -1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.499 -12.115 -2.023 1.00 0.00 H new ATOM 1091 N LYS A 70 9.186 -10.504 -2.062 1.00 0.00 N ATOM 1092 CA LYS A 70 7.967 -9.868 -2.547 1.00 0.00 C ATOM 1093 C LYS A 70 8.085 -8.373 -2.229 1.00 0.00 C ATOM 1094 O LYS A 70 7.783 -7.931 -1.131 1.00 0.00 O ATOM 1095 CB LYS A 70 6.704 -10.516 -1.948 1.00 0.00 C ATOM 1096 CG LYS A 70 5.522 -10.534 -2.934 1.00 0.00 C ATOM 1097 CD LYS A 70 5.175 -11.943 -3.452 1.00 0.00 C ATOM 1098 CE LYS A 70 6.376 -12.787 -3.913 1.00 0.00 C ATOM 1099 NZ LYS A 70 7.174 -12.132 -4.944 1.00 0.00 N ATOM 0 H LYS A 70 9.485 -10.197 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 70 7.859 -10.005 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.934 -11.537 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.414 -9.973 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.645 -10.109 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.757 -9.891 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.653 -12.484 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.479 -11.845 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.011 -13.004 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.016 -13.743 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.087 -12.658 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.833 -11.159 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.171 -12.111 -4.650 1.00 0.00 H new ATOM 1113 N ARG A 71 8.562 -7.617 -3.238 1.00 0.00 N ATOM 1114 CA ARG A 71 8.733 -6.184 -3.017 1.00 0.00 C ATOM 1115 C ARG A 71 7.356 -5.515 -2.814 1.00 0.00 C ATOM 1116 O ARG A 71 6.955 -5.251 -1.690 1.00 0.00 O ATOM 1117 CB ARG A 71 9.624 -5.585 -4.122 1.00 0.00 C ATOM 1118 CG ARG A 71 10.120 -4.158 -3.816 1.00 0.00 C ATOM 1119 CD ARG A 71 9.315 -3.055 -4.492 1.00 0.00 C ATOM 1120 NE ARG A 71 9.388 -3.153 -5.946 1.00 0.00 N ATOM 1121 CZ ARG A 71 9.166 -2.099 -6.756 1.00 0.00 C ATOM 1122 NH1 ARG A 71 8.989 -0.886 -6.252 1.00 0.00 N ATOM 1123 NH2 ARG A 71 9.100 -2.273 -8.070 1.00 0.00 N ATOM 0 H ARG A 71 8.821 -7.959 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 71 9.273 -5.984 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.486 -6.235 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.066 -5.573 -5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.095 -4.001 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.161 -4.074 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.274 -3.116 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.689 -2.082 -4.173 1.00 0.00 H new ATOM 0 HE ARG A 71 9.616 -4.054 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.020 -0.744 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.822 -0.095 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.217 -3.205 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.932 -1.475 -8.682 1.00 0.00 H new ATOM 1137 N TRP A 72 6.656 -5.252 -3.936 1.00 0.00 N ATOM 1138 CA TRP A 72 5.302 -4.704 -3.856 1.00 0.00 C ATOM 1139 C TRP A 72 4.300 -5.871 -3.963 1.00 0.00 C ATOM 1140 O TRP A 72 4.581 -6.857 -4.635 1.00 0.00 O ATOM 1141 CB TRP A 72 5.063 -3.640 -4.947 1.00 0.00 C ATOM 1142 CG TRP A 72 5.052 -4.196 -6.356 1.00 0.00 C ATOM 1143 CD1 TRP A 72 6.157 -4.436 -7.178 1.00 0.00 C ATOM 1144 CD2 TRP A 72 3.889 -4.444 -7.165 1.00 0.00 C ATOM 1145 NE1 TRP A 72 5.733 -4.797 -8.413 1.00 0.00 N ATOM 1146 CE2 TRP A 72 4.346 -4.809 -8.453 1.00 0.00 C ATOM 1147 CE3 TRP A 72 2.551 -4.332 -6.910 1.00 0.00 C ATOM 1148 CZ2 TRP A 72 3.444 -5.039 -9.456 1.00 0.00 C ATOM 1149 CZ3 TRP A 72 1.635 -4.565 -7.930 1.00 0.00 C ATOM 1150 CH2 TRP A 72 2.081 -4.910 -9.202 1.00 0.00 C ATOM 0 H TRP A 72 7.002 -5.408 -4.883 1.00 0.00 H new ATOM 0 HA TRP A 72 5.163 -4.197 -2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.111 -3.145 -4.755 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.839 -2.878 -4.874 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.190 -4.347 -6.875 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.343 -5.026 -9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.207 -4.064 -5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.788 -5.319 -10.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.576 -4.478 -7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 72 1.368 -5.078 -9.995 1.00 0.00 H new ATOM 1161 N GLU A 73 3.124 -5.702 -3.320 1.00 0.00 N ATOM 1162 CA GLU A 73 2.070 -6.708 -3.463 1.00 0.00 C ATOM 1163 C GLU A 73 0.720 -6.033 -3.166 1.00 0.00 C ATOM 1164 O GLU A 73 0.618 -5.165 -2.307 1.00 0.00 O ATOM 1165 CB GLU A 73 2.297 -7.914 -2.533 1.00 0.00 C ATOM 1166 CG GLU A 73 1.492 -9.162 -2.953 1.00 0.00 C ATOM 1167 CD GLU A 73 1.416 -10.217 -1.840 1.00 0.00 C ATOM 1168 OE1 GLU A 73 2.386 -10.413 -1.111 1.00 0.00 O ATOM 1169 OE2 GLU A 73 0.355 -10.810 -1.665 1.00 0.00 O ATOM 0 H GLU A 73 2.893 -4.909 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 73 2.082 -7.098 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.359 -8.161 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.022 -7.637 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.482 -8.861 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.950 -9.605 -3.838 1.00 0.00 H new ATOM 1176 N LEU A 74 -0.292 -6.467 -3.946 1.00 0.00 N ATOM 1177 CA LEU A 74 -1.644 -5.936 -3.798 1.00 0.00 C ATOM 1178 C LEU A 74 -2.236 -6.391 -2.454 1.00 0.00 C ATOM 1179 O LEU A 74 -2.029 -7.514 -2.018 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.558 -6.432 -4.934 1.00 0.00 C ATOM 1181 CG LEU A 74 -2.015 -6.218 -6.359 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -2.958 -6.848 -7.393 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -1.780 -4.735 -6.673 1.00 0.00 C ATOM 0 H LEU A 74 -0.191 -7.175 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.586 -4.848 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.743 -7.496 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.520 -5.927 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.046 -6.715 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.559 -6.687 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.043 -7.918 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.943 -6.387 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.397 -4.634 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.720 -4.191 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.055 -4.325 -5.970 1.00 0.00 H new ATOM 1195 N CYS A 75 -2.976 -5.462 -1.842 1.00 0.00 N ATOM 1196 CA CYS A 75 -3.672 -5.676 -0.583 1.00 0.00 C ATOM 1197 C CYS A 75 -5.119 -6.052 -0.824 1.00 0.00 C ATOM 1198 O CYS A 75 -5.615 -5.979 -1.941 1.00 0.00 O ATOM 1199 CB CYS A 75 -3.614 -4.385 0.214 1.00 0.00 C ATOM 1200 SG CYS A 75 -1.913 -3.864 0.426 1.00 0.00 S ATOM 0 H CYS A 75 -3.107 -4.524 -2.220 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.195 -6.491 -0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.179 -3.607 -0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.082 -4.529 1.188 1.00 0.00 H new ATOM 1205 N ASP A 76 -5.775 -6.400 0.300 1.00 0.00 N ATOM 1206 CA ASP A 76 -7.222 -6.617 0.286 1.00 0.00 C ATOM 1207 C ASP A 76 -7.826 -5.684 1.348 1.00 0.00 C ATOM 1208 O ASP A 76 -7.531 -5.780 2.532 1.00 0.00 O ATOM 1209 CB ASP A 76 -7.580 -8.099 0.485 1.00 0.00 C ATOM 1210 CG ASP A 76 -9.025 -8.351 0.021 1.00 0.00 C ATOM 1211 OD1 ASP A 76 -9.947 -8.055 0.770 1.00 0.00 O ATOM 1212 OD2 ASP A 76 -9.204 -8.814 -1.110 1.00 0.00 O ATOM 0 H ASP A 76 -5.331 -6.533 1.209 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.648 -6.372 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.892 -8.728 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.472 -8.371 1.535 1.00 0.00 H new ATOM 1217 N ILE A 77 -8.621 -4.733 0.820 1.00 0.00 N ATOM 1218 CA ILE A 77 -9.262 -3.679 1.599 1.00 0.00 C ATOM 1219 C ILE A 77 -10.775 -3.963 1.497 1.00 0.00 C ATOM 1220 O ILE A 77 -11.261 -4.354 0.443 1.00 0.00 O ATOM 1221 CB ILE A 77 -8.887 -2.305 0.971 1.00 0.00 C ATOM 1222 CG1 ILE A 77 -7.488 -1.782 1.353 1.00 0.00 C ATOM 1223 CG2 ILE A 77 -9.904 -1.169 1.218 1.00 0.00 C ATOM 1224 CD1 ILE A 77 -6.358 -2.808 1.401 1.00 0.00 C ATOM 0 H ILE A 77 -8.833 -4.683 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.949 -3.654 2.643 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.898 -2.556 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.210 -1.004 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.558 -1.308 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.551 -0.255 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.870 -1.448 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.009 -1.001 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.428 -2.313 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.596 -3.577 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.242 -3.268 0.420 1.00 0.00 H new ATOM 1236 N PRO A 78 -11.512 -3.744 2.620 1.00 0.00 N ATOM 1237 CA PRO A 78 -12.949 -4.006 2.656 1.00 0.00 C ATOM 1238 C PRO A 78 -13.719 -3.149 1.632 1.00 0.00 C ATOM 1239 O PRO A 78 -13.603 -1.932 1.597 1.00 0.00 O ATOM 1240 CB PRO A 78 -13.358 -3.685 4.105 1.00 0.00 C ATOM 1241 CG PRO A 78 -12.219 -2.835 4.688 1.00 0.00 C ATOM 1242 CD PRO A 78 -10.987 -3.212 3.874 1.00 0.00 C ATOM 0 HA PRO A 78 -13.187 -5.034 2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.303 -3.143 4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.498 -4.599 4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.438 -1.771 4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.072 -3.046 5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.349 -2.346 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.381 -3.954 4.395 1.00 0.00 H new ATOM 1250 N ARG A 79 -14.502 -3.844 0.788 1.00 0.00 N ATOM 1251 CA ARG A 79 -15.279 -3.129 -0.222 1.00 0.00 C ATOM 1252 C ARG A 79 -16.295 -2.190 0.459 1.00 0.00 C ATOM 1253 O ARG A 79 -16.801 -2.479 1.536 1.00 0.00 O ATOM 1254 CB ARG A 79 -16.032 -4.143 -1.093 1.00 0.00 C ATOM 1255 CG ARG A 79 -16.568 -3.549 -2.407 1.00 0.00 C ATOM 1256 CD ARG A 79 -17.331 -4.593 -3.227 1.00 0.00 C ATOM 1257 NE ARG A 79 -18.434 -5.076 -2.411 1.00 0.00 N ATOM 1258 CZ ARG A 79 -19.202 -6.145 -2.678 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -19.004 -6.874 -3.771 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -20.162 -6.437 -1.811 1.00 0.00 N ATOM 0 H ARG A 79 -14.608 -4.858 0.787 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.604 -2.537 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.367 -4.975 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.866 -4.551 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.225 -2.708 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.738 -3.158 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.704 -4.155 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.673 -5.416 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.643 -4.556 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.260 -6.625 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.596 -7.683 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.293 -5.858 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.769 -7.240 -1.974 1.00 0.00 H new ATOM 1274 N CYS A 80 -16.571 -1.070 -0.231 1.00 0.00 N ATOM 1275 CA CYS A 80 -17.546 -0.096 0.253 1.00 0.00 C ATOM 1276 C CYS A 80 -18.990 -0.601 0.051 1.00 0.00 C ATOM 1277 O CYS A 80 -19.751 -0.035 -0.723 1.00 0.00 O ATOM 1278 CB CYS A 80 -17.353 1.225 -0.504 1.00 0.00 C ATOM 1279 SG CYS A 80 -15.684 1.926 -0.382 1.00 0.00 S ATOM 0 H CYS A 80 -16.133 -0.824 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 80 -17.387 0.053 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -17.590 1.064 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -18.068 1.955 -0.124 1.00 0.00 H new ATOM 1284 N THR A 81 -19.326 -1.680 0.781 1.00 0.00 N ATOM 1285 CA THR A 81 -20.665 -2.250 0.721 1.00 0.00 C ATOM 1286 C THR A 81 -21.007 -2.804 2.115 1.00 0.00 C ATOM 1287 O THR A 81 -21.893 -2.268 2.775 1.00 0.00 O ATOM 1288 CB THR A 81 -20.748 -3.376 -0.342 1.00 0.00 C ATOM 1289 OG1 THR A 81 -19.857 -4.458 -0.100 1.00 0.00 O ATOM 1290 CG2 THR A 81 -20.458 -2.865 -1.756 1.00 0.00 C ATOM 1291 OXT THR A 81 -20.367 -3.780 2.513 1.00 0.00 O ATOM 0 H THR A 81 -18.687 -2.165 1.412 1.00 0.00 H new ATOM 0 HA THR A 81 -21.379 -1.479 0.431 1.00 0.00 H new ATOM 0 HB THR A 81 -21.776 -3.730 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.728 -4.566 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.529 -3.691 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 81 -21.185 -2.097 -2.022 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.454 -2.442 -1.791 1.00 0.00 H new TER 1299 THR A 81 HETATM 1300 C1 AMH A 84 5.679 -0.343 -8.599 1.00 0.00 C HETATM 1301 C2 AMH A 84 4.913 0.777 -9.292 1.00 0.00 C HETATM 1302 C3 AMH A 84 3.717 0.172 -10.009 1.00 0.00 C HETATM 1303 C4 AMH A 84 2.712 -0.417 -9.008 1.00 0.00 C HETATM 1304 C5 AMH A 84 3.438 -1.418 -8.097 1.00 0.00 C HETATM 1305 C6 AMH A 84 4.779 -0.923 -7.504 1.00 0.00 C HETATM 1306 C7 AMH A 84 1.532 -1.102 -9.752 1.00 0.00 C HETATM 1307 C8 AMH A 84 7.002 0.228 -8.071 1.00 0.00 C HETATM 1308 N AMH A 84 1.969 -1.854 -10.929 1.00 0.00 N HETATM 1309 O1 AMH A 84 8.030 0.076 -8.724 1.00 0.00 O HETATM 1310 O2 AMH A 84 7.025 0.810 -6.997 1.00 0.00 O HETATM 0 HN2 AMH A 84 1.285 -2.349 -11.501 1.00 0.00 H new HETATM 0 HN1 AMH A 84 2.958 -1.883 -11.177 1.00 0.00 H new HETATM 0 H72 AMH A 84 1.017 -1.775 -9.066 1.00 0.00 H new HETATM 0 H71 AMH A 84 0.811 -0.344 -10.057 1.00 0.00 H new HETATM 0 H62 AMH A 84 5.289 -1.749 -7.008 1.00 0.00 H new HETATM 0 H61 AMH A 84 4.588 -0.164 -6.745 1.00 0.00 H new HETATM 0 H52 AMH A 84 2.773 -1.684 -7.275 1.00 0.00 H new HETATM 0 H51 AMH A 84 3.625 -2.330 -8.664 1.00 0.00 H new HETATM 0 H4 AMH A 84 2.296 0.386 -8.400 1.00 0.00 H new HETATM 0 H32 AMH A 84 3.228 0.935 -10.614 1.00 0.00 H new HETATM 0 H31 AMH A 84 4.055 -0.608 -10.692 1.00 0.00 H new HETATM 0 H22 AMH A 84 4.583 1.517 -8.563 1.00 0.00 H new HETATM 0 H21 AMH A 84 5.558 1.294 -10.002 1.00 0.00 H new HETATM 0 H1 AMH A 84 5.935 -1.159 -9.275 1.00 0.00 H new