USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 35 HIS : no HD1:sc= 0.885 K(o=2,f=-5.9!) USER MOD Set 1.2: B 199 CYS SG : rot -33:sc= 1.07 USER MOD Single : A 21 TYR OH : rot 52:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= -0.676! (180deg=-0.721!) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.2) USER MOD Single : A 29 GLN : amide:sc= 0.276 X(o=0.28,f=-0.0039) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00441 USER MOD Single : A 32 SER OG : rot -137:sc= 0.904 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 1.6 (180deg=0.293) USER MOD Single : A 40 MET CE :methyl 174:sc= 0 (180deg=-0.0849) USER MOD Single : A 41 THR OG1 : rot 33:sc= 1.32 USER MOD Single : A 42 THR OG1 : rot -62:sc= -1.12! USER MOD Single : A 43 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.69) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.18) USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= 2.17 (180deg=-2.24) USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= 1.96 (180deg=0.501) USER MOD Single : A 50 SER OG : rot 101:sc= 1.24 USER MOD Single : A 51 TYR OH : rot 180:sc=-0.000205 USER MOD Single : A 52 CYS SG : rot 82:sc= 0.573 USER MOD Single : A 53 GLN : amide:sc= -0.867 K(o=-0.87,f=-3.4!) USER MOD Single : A 55 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.29) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 61 SER OG : rot -81:sc= 1.28 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 74 ASN : amide:sc= 0.195 K(o=0.2,f=-4!) USER MOD Single : A 75 HIS : no HD1:sc= 0.284 K(o=0.28,f=-5.3!) USER MOD Single : A 76 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc=-0.00931 K(o=-0.0093,f=-0.51) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.111 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.670 -6.841 -0.886 1.00 10.00 N ATOM 2 CA TYR A 21 12.391 -6.147 -0.905 1.00 10.00 C ATOM 3 C TYR A 21 11.579 -6.503 0.332 1.00 10.00 C ATOM 4 O TYR A 21 11.770 -7.568 0.923 1.00 10.00 O ATOM 5 CB TYR A 21 11.597 -6.511 -2.164 1.00 10.00 C ATOM 6 CG TYR A 21 11.907 -5.648 -3.368 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.915 -4.892 -3.978 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.188 -5.593 -3.895 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.191 -4.108 -5.083 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.471 -4.811 -4.996 1.00 10.00 C ATOM 11 CZ TYR A 21 12.471 -4.072 -5.585 1.00 10.00 C ATOM 12 OH TYR A 21 12.758 -3.305 -6.691 1.00 10.00 O ATOM 0 HA TYR A 21 12.586 -5.075 -0.910 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.797 -7.552 -2.417 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.532 -6.436 -1.942 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.910 -4.917 -3.583 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.977 -6.171 -3.437 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.407 -3.528 -5.548 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.474 -4.779 -5.394 1.00 10.00 H new ATOM 0 HH TYR A 21 12.439 -2.390 -6.546 1.00 10.00 H new ATOM 22 N ILE A 22 10.688 -5.610 0.719 1.00 10.00 N ATOM 23 CA ILE A 22 9.829 -5.830 1.869 1.00 10.00 C ATOM 24 C ILE A 22 8.443 -6.224 1.386 1.00 10.00 C ATOM 25 O ILE A 22 7.784 -5.459 0.679 1.00 10.00 O ATOM 26 CB ILE A 22 9.724 -4.570 2.757 1.00 10.00 C ATOM 27 CG1 ILE A 22 11.119 -4.081 3.172 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.869 -4.854 3.986 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.879 -5.062 4.040 1.00 10.00 C ATOM 0 H ILE A 22 10.539 -4.717 0.249 1.00 10.00 H new ATOM 0 HA ILE A 22 10.266 -6.627 2.471 1.00 10.00 H new ATOM 0 HB ILE A 22 9.244 -3.781 2.177 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.703 -3.876 2.275 1.00 10.00 H new ATOM 0 HG13 ILE A 22 11.018 -3.138 3.709 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.806 -3.956 4.600 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.868 -5.151 3.672 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.321 -5.659 4.566 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.854 -4.645 4.292 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.317 -5.249 4.955 1.00 10.00 H new ATOM 0 HD13 ILE A 22 12.013 -5.999 3.499 1.00 10.00 H new ATOM 41 N LYS A 23 8.012 -7.419 1.749 1.00 10.00 N ATOM 42 CA LYS A 23 6.713 -7.916 1.340 1.00 10.00 C ATOM 43 C LYS A 23 5.686 -7.654 2.430 1.00 10.00 C ATOM 44 O LYS A 23 5.860 -8.062 3.581 1.00 10.00 O ATOM 45 CB LYS A 23 6.798 -9.409 1.021 1.00 10.00 C ATOM 46 CG LYS A 23 5.557 -9.975 0.350 1.00 10.00 C ATOM 47 CD LYS A 23 5.730 -11.450 0.014 1.00 10.00 C ATOM 48 CE LYS A 23 5.278 -12.352 1.155 1.00 10.00 C ATOM 49 NZ LYS A 23 6.102 -12.171 2.385 1.00 10.00 N ATOM 0 H LYS A 23 8.547 -8.065 2.329 1.00 10.00 H new ATOM 0 HA LYS A 23 6.398 -7.390 0.439 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.658 -9.582 0.374 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.979 -9.957 1.946 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.697 -9.849 1.007 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.347 -9.415 -0.561 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.159 -11.687 -0.883 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.777 -11.650 -0.213 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.234 -12.144 1.387 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.332 -13.393 0.835 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.744 -12.794 3.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.092 -12.411 2.178 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.044 -11.181 2.699 1.00 10.00 H new ATOM 63 N LEU A 24 4.629 -6.957 2.058 1.00 10.00 N ATOM 64 CA LEU A 24 3.562 -6.617 2.980 1.00 10.00 C ATOM 65 C LEU A 24 2.250 -7.215 2.489 1.00 10.00 C ATOM 66 O LEU A 24 2.073 -7.432 1.288 1.00 10.00 O ATOM 67 CB LEU A 24 3.450 -5.097 3.088 1.00 10.00 C ATOM 68 CG LEU A 24 4.790 -4.353 3.062 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.742 -3.189 2.087 1.00 10.00 C ATOM 70 CD2 LEU A 24 5.167 -3.872 4.451 1.00 10.00 C ATOM 0 H LEU A 24 4.486 -6.611 1.109 1.00 10.00 H new ATOM 0 HA LEU A 24 3.783 -7.026 3.966 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.832 -4.733 2.268 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.930 -4.849 4.014 1.00 10.00 H new ATOM 0 HG LEU A 24 5.556 -5.050 2.723 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.704 -2.676 2.085 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.528 -3.562 1.085 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.960 -2.493 2.390 1.00 10.00 H new ATOM 0 HD21 LEU A 24 6.121 -3.347 4.408 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.397 -3.196 4.823 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.254 -4.727 5.121 1.00 10.00 H new ATOM 82 N LYS A 25 1.332 -7.480 3.405 1.00 10.00 N ATOM 83 CA LYS A 25 0.055 -8.071 3.041 1.00 10.00 C ATOM 84 C LYS A 25 -1.089 -7.078 3.192 1.00 10.00 C ATOM 85 O LYS A 25 -1.380 -6.610 4.296 1.00 10.00 O ATOM 86 CB LYS A 25 -0.221 -9.309 3.892 1.00 10.00 C ATOM 87 CG LYS A 25 0.844 -10.390 3.766 1.00 10.00 C ATOM 88 CD LYS A 25 0.505 -11.612 4.602 1.00 10.00 C ATOM 89 CE LYS A 25 -0.655 -12.392 4.004 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.232 -13.358 4.971 1.00 10.00 N ATOM 0 H LYS A 25 1.447 -7.296 4.402 1.00 10.00 H new ATOM 0 HA LYS A 25 0.117 -8.358 1.991 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.300 -9.010 4.937 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.186 -9.727 3.606 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.945 -10.681 2.720 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.808 -9.990 4.080 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.380 -12.258 4.675 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.252 -11.302 5.616 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.430 -11.698 3.679 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.314 -12.926 3.117 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.986 -13.904 4.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.488 -14.005 5.301 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.627 -12.842 5.783 1.00 10.00 H new ATOM 104 N VAL A 26 -1.722 -6.755 2.076 1.00 10.00 N ATOM 105 CA VAL A 26 -2.853 -5.845 2.070 1.00 10.00 C ATOM 106 C VAL A 26 -4.135 -6.655 2.172 1.00 10.00 C ATOM 107 O VAL A 26 -4.387 -7.528 1.338 1.00 10.00 O ATOM 108 CB VAL A 26 -2.900 -4.980 0.792 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.828 -3.790 0.980 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.504 -4.518 0.396 1.00 10.00 C ATOM 0 H VAL A 26 -1.468 -7.114 1.156 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.746 -5.171 2.920 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.294 -5.595 -0.017 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.846 -3.195 0.067 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.835 -4.145 1.201 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.470 -3.176 1.807 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.564 -3.911 -0.507 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.074 -3.926 1.204 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.873 -5.387 0.207 1.00 10.00 H new ATOM 120 N ILE A 27 -4.927 -6.389 3.196 1.00 10.00 N ATOM 121 CA ILE A 27 -6.168 -7.117 3.397 1.00 10.00 C ATOM 122 C ILE A 27 -7.329 -6.420 2.698 1.00 10.00 C ATOM 123 O ILE A 27 -7.687 -5.290 3.037 1.00 10.00 O ATOM 124 CB ILE A 27 -6.495 -7.277 4.899 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.295 -7.861 5.658 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.724 -8.158 5.088 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.848 -9.220 5.157 1.00 10.00 C ATOM 0 H ILE A 27 -4.734 -5.676 3.900 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.030 -8.107 2.963 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.711 -6.290 5.307 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.459 -7.166 5.585 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.551 -7.941 6.714 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.939 -8.259 6.152 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.578 -7.703 4.587 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.535 -9.143 4.661 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.996 -9.562 5.745 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.667 -9.932 5.256 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.558 -9.144 4.109 1.00 10.00 H new ATOM 139 N GLY A 28 -7.897 -7.090 1.707 1.00 10.00 N ATOM 140 CA GLY A 28 -9.022 -6.533 0.983 1.00 10.00 C ATOM 141 C GLY A 28 -10.330 -6.749 1.719 1.00 10.00 C ATOM 142 O GLY A 28 -10.450 -7.677 2.524 1.00 10.00 O ATOM 0 H GLY A 28 -7.598 -8.012 1.390 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.863 -5.465 0.830 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.081 -6.991 -0.004 1.00 10.00 H new ATOM 146 N GLN A 29 -11.317 -5.904 1.440 1.00 10.00 N ATOM 147 CA GLN A 29 -12.620 -5.999 2.092 1.00 10.00 C ATOM 148 C GLN A 29 -13.347 -7.286 1.692 1.00 10.00 C ATOM 149 O GLN A 29 -14.154 -7.820 2.457 1.00 10.00 O ATOM 150 CB GLN A 29 -13.480 -4.778 1.743 1.00 10.00 C ATOM 151 CG GLN A 29 -14.848 -4.774 2.414 1.00 10.00 C ATOM 152 CD GLN A 29 -14.763 -4.656 3.923 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.815 -3.558 4.477 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.630 -5.787 4.600 1.00 10.00 N ATOM 0 H GLN A 29 -11.240 -5.143 0.765 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.455 -6.023 3.169 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.943 -3.874 2.030 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.616 -4.739 0.662 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.437 -3.945 2.022 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.377 -5.691 2.155 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.591 -6.677 4.103 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.567 -5.768 5.618 1.00 10.00 H new ATOM 163 N ASP A 30 -13.041 -7.791 0.505 1.00 10.00 N ATOM 164 CA ASP A 30 -13.671 -9.011 0.003 1.00 10.00 C ATOM 165 C ASP A 30 -12.901 -10.257 0.444 1.00 10.00 C ATOM 166 O ASP A 30 -13.111 -11.345 -0.095 1.00 10.00 O ATOM 167 CB ASP A 30 -13.770 -8.974 -1.527 1.00 10.00 C ATOM 168 CG ASP A 30 -12.441 -9.230 -2.219 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.631 -8.287 -2.329 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.205 -10.369 -2.677 1.00 10.00 O ATOM 0 H ASP A 30 -12.360 -7.377 -0.131 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.675 -9.062 0.425 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.493 -9.720 -1.856 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.152 -8.001 -1.837 1.00 10.00 H new ATOM 175 N SER A 31 -12.025 -10.089 1.434 1.00 10.00 N ATOM 176 CA SER A 31 -11.211 -11.185 1.962 1.00 10.00 C ATOM 177 C SER A 31 -10.197 -11.654 0.915 1.00 10.00 C ATOM 178 O SER A 31 -10.162 -12.823 0.533 1.00 10.00 O ATOM 179 CB SER A 31 -12.094 -12.350 2.427 1.00 10.00 C ATOM 180 OG SER A 31 -13.287 -11.875 3.039 1.00 10.00 O ATOM 0 H SER A 31 -11.859 -9.193 1.892 1.00 10.00 H new ATOM 0 HA SER A 31 -10.663 -10.815 2.828 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.345 -12.983 1.576 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.541 -12.970 3.133 1.00 10.00 H new ATOM 0 HG SER A 31 -13.833 -12.637 3.325 1.00 10.00 H new ATOM 186 N SER A 32 -9.398 -10.712 0.441 1.00 10.00 N ATOM 187 CA SER A 32 -8.363 -10.972 -0.550 1.00 10.00 C ATOM 188 C SER A 32 -7.008 -10.590 0.038 1.00 10.00 C ATOM 189 O SER A 32 -6.887 -9.553 0.695 1.00 10.00 O ATOM 190 CB SER A 32 -8.647 -10.138 -1.795 1.00 10.00 C ATOM 191 OG SER A 32 -9.195 -8.876 -1.442 1.00 10.00 O ATOM 0 H SER A 32 -9.449 -9.737 0.735 1.00 10.00 H new ATOM 0 HA SER A 32 -8.354 -12.028 -0.820 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.726 -9.994 -2.360 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.340 -10.672 -2.445 1.00 10.00 H new ATOM 0 HG SER A 32 -9.938 -8.662 -2.044 1.00 10.00 H new ATOM 197 N GLU A 33 -6.003 -11.428 -0.159 1.00 10.00 N ATOM 198 CA GLU A 33 -4.674 -11.139 0.361 1.00 10.00 C ATOM 199 C GLU A 33 -3.753 -10.664 -0.758 1.00 10.00 C ATOM 200 O GLU A 33 -3.395 -11.431 -1.654 1.00 10.00 O ATOM 201 CB GLU A 33 -4.094 -12.372 1.055 1.00 10.00 C ATOM 202 CG GLU A 33 -4.491 -12.474 2.519 1.00 10.00 C ATOM 203 CD GLU A 33 -4.316 -13.870 3.079 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.168 -14.250 3.390 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.327 -14.588 3.226 1.00 10.00 O ATOM 0 H GLU A 33 -6.079 -12.307 -0.671 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.755 -10.339 1.096 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.428 -13.267 0.531 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.007 -12.346 0.980 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -3.891 -11.776 3.103 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.532 -12.171 2.630 1.00 10.00 H new ATOM 212 N ILE A 34 -3.396 -9.389 -0.718 1.00 10.00 N ATOM 213 CA ILE A 34 -2.522 -8.810 -1.727 1.00 10.00 C ATOM 214 C ILE A 34 -1.091 -8.723 -1.212 1.00 10.00 C ATOM 215 O ILE A 34 -0.827 -8.086 -0.192 1.00 10.00 O ATOM 216 CB ILE A 34 -2.985 -7.396 -2.148 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.511 -7.340 -2.311 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.291 -6.969 -3.435 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.043 -8.184 -3.452 1.00 10.00 C ATOM 0 H ILE A 34 -3.699 -8.735 0.004 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.567 -9.467 -2.596 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.707 -6.700 -1.357 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.977 -7.669 -1.382 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.811 -6.304 -2.469 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.629 -5.972 -3.717 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.212 -6.957 -3.280 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.535 -7.673 -4.231 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.128 -8.090 -3.499 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.608 -7.842 -4.391 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.777 -9.228 -3.287 1.00 10.00 H new ATOM 231 N HIS A 35 -0.180 -9.371 -1.917 1.00 10.00 N ATOM 232 CA HIS A 35 1.227 -9.371 -1.557 1.00 10.00 C ATOM 233 C HIS A 35 1.934 -8.238 -2.289 1.00 10.00 C ATOM 234 O HIS A 35 2.307 -8.373 -3.457 1.00 10.00 O ATOM 235 CB HIS A 35 1.887 -10.710 -1.920 1.00 10.00 C ATOM 236 CG HIS A 35 1.090 -11.917 -1.521 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.722 -12.870 -2.443 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.627 -12.281 -0.301 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.044 -13.783 -1.767 1.00 10.00 C ATOM 240 NE2 HIS A 35 -0.038 -13.465 -0.472 1.00 10.00 N ATOM 0 H HIS A 35 -0.395 -9.912 -2.755 1.00 10.00 H new ATOM 0 HA HIS A 35 1.311 -9.229 -0.480 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.055 -10.739 -2.997 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.866 -10.761 -1.443 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.757 -11.742 0.626 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -0.387 -14.671 -2.205 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -0.509 -14.004 0.254 1.00 10.00 H new ATOM 248 N PHE A 36 2.084 -7.117 -1.613 1.00 10.00 N ATOM 249 CA PHE A 36 2.738 -5.961 -2.196 1.00 10.00 C ATOM 250 C PHE A 36 4.165 -5.870 -1.672 1.00 10.00 C ATOM 251 O PHE A 36 4.390 -5.914 -0.462 1.00 10.00 O ATOM 252 CB PHE A 36 1.944 -4.693 -1.864 1.00 10.00 C ATOM 253 CG PHE A 36 1.887 -3.700 -2.984 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.991 -3.465 -3.779 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.714 -3.016 -3.252 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.930 -2.565 -4.817 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.649 -2.110 -4.291 1.00 10.00 C ATOM 258 CZ PHE A 36 1.758 -1.886 -5.074 1.00 10.00 C ATOM 0 H PHE A 36 1.761 -6.981 -0.655 1.00 10.00 H new ATOM 0 HA PHE A 36 2.774 -6.063 -3.281 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.927 -4.975 -1.589 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.389 -4.216 -0.991 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.912 -3.994 -3.584 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.159 -3.193 -2.642 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.801 -2.390 -5.431 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.270 -1.578 -4.489 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.710 -1.179 -5.889 1.00 10.00 H new ATOM 268 N LYS A 37 5.127 -5.766 -2.578 1.00 10.00 N ATOM 269 CA LYS A 37 6.529 -5.701 -2.188 1.00 10.00 C ATOM 270 C LYS A 37 7.214 -4.455 -2.739 1.00 10.00 C ATOM 271 O LYS A 37 7.094 -4.132 -3.923 1.00 10.00 O ATOM 272 CB LYS A 37 7.268 -6.960 -2.650 1.00 10.00 C ATOM 273 CG LYS A 37 6.928 -7.386 -4.072 1.00 10.00 C ATOM 274 CD LYS A 37 7.630 -8.680 -4.449 1.00 10.00 C ATOM 275 CE LYS A 37 9.116 -8.464 -4.681 1.00 10.00 C ATOM 276 NZ LYS A 37 9.856 -9.746 -4.771 1.00 10.00 N ATOM 0 H LYS A 37 4.964 -5.725 -3.584 1.00 10.00 H new ATOM 0 HA LYS A 37 6.565 -5.643 -1.100 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.342 -6.786 -2.580 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.033 -7.778 -1.970 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.850 -7.515 -4.166 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.217 -6.598 -4.768 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.488 -9.415 -3.657 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.176 -9.091 -5.351 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.261 -7.896 -5.600 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.527 -7.865 -3.868 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.866 -9.554 -4.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.740 -10.277 -3.884 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.482 -10.308 -5.562 1.00 10.00 H new ATOM 290 N VAL A 38 7.934 -3.767 -1.865 1.00 10.00 N ATOM 291 CA VAL A 38 8.656 -2.551 -2.228 1.00 10.00 C ATOM 292 C VAL A 38 10.055 -2.573 -1.619 1.00 10.00 C ATOM 293 O VAL A 38 10.336 -3.390 -0.744 1.00 10.00 O ATOM 294 CB VAL A 38 7.906 -1.289 -1.749 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.560 -1.179 -2.441 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.728 -1.299 -0.236 1.00 10.00 C ATOM 0 H VAL A 38 8.036 -4.033 -0.886 1.00 10.00 H new ATOM 0 HA VAL A 38 8.728 -2.517 -3.315 1.00 10.00 H new ATOM 0 HB VAL A 38 8.507 -0.418 -2.012 1.00 10.00 H new ATOM 0 HG11 VAL A 38 6.044 -0.284 -2.093 1.00 10.00 H new ATOM 0 HG12 VAL A 38 6.709 -1.115 -3.519 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.959 -2.058 -2.209 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.197 -0.399 0.074 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.154 -2.178 0.057 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.706 -1.327 0.245 1.00 10.00 H new ATOM 306 N LYS A 39 10.935 -1.692 -2.078 1.00 10.00 N ATOM 307 CA LYS A 39 12.291 -1.643 -1.546 1.00 10.00 C ATOM 308 C LYS A 39 12.433 -0.460 -0.595 1.00 10.00 C ATOM 309 O LYS A 39 11.574 0.424 -0.564 1.00 10.00 O ATOM 310 CB LYS A 39 13.324 -1.558 -2.683 1.00 10.00 C ATOM 311 CG LYS A 39 13.601 -0.143 -3.178 1.00 10.00 C ATOM 312 CD LYS A 39 14.521 -0.140 -4.390 1.00 10.00 C ATOM 313 CE LYS A 39 15.049 1.257 -4.688 1.00 10.00 C ATOM 314 NZ LYS A 39 15.645 1.359 -6.043 1.00 10.00 N ATOM 0 H LYS A 39 10.738 -1.009 -2.809 1.00 10.00 H new ATOM 0 HA LYS A 39 12.482 -2.562 -0.992 1.00 10.00 H new ATOM 0 HB2 LYS A 39 14.260 -2.000 -2.341 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.974 -2.161 -3.521 1.00 10.00 H new ATOM 0 HG2 LYS A 39 12.660 0.343 -3.434 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.053 0.441 -2.376 1.00 10.00 H new ATOM 0 HD2 LYS A 39 15.358 -0.816 -4.214 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.982 -0.519 -5.258 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.236 1.977 -4.597 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.798 1.526 -3.943 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.388 2.087 -6.042 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.058 0.443 -6.310 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.907 1.619 -6.728 1.00 10.00 H new ATOM 328 N MET A 40 13.508 -0.440 0.184 1.00 10.00 N ATOM 329 CA MET A 40 13.744 0.649 1.128 1.00 10.00 C ATOM 330 C MET A 40 14.216 1.899 0.388 1.00 10.00 C ATOM 331 O MET A 40 15.381 2.286 0.462 1.00 10.00 O ATOM 332 CB MET A 40 14.762 0.231 2.194 1.00 10.00 C ATOM 333 CG MET A 40 14.851 1.197 3.372 1.00 10.00 C ATOM 334 SD MET A 40 13.234 1.626 4.057 1.00 10.00 S ATOM 335 CE MET A 40 12.638 0.025 4.602 1.00 10.00 C ATOM 0 H MET A 40 14.228 -1.162 0.182 1.00 10.00 H new ATOM 0 HA MET A 40 12.805 0.880 1.631 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.498 -0.759 2.567 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.745 0.146 1.731 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.464 0.751 4.155 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.357 2.108 3.051 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.699 0.150 5.140 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.477 -0.617 3.736 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.376 -0.433 5.261 1.00 10.00 H new ATOM 345 N THR A 41 13.289 2.491 -0.351 1.00 10.00 N ATOM 346 CA THR A 41 13.520 3.696 -1.140 1.00 10.00 C ATOM 347 C THR A 41 12.209 4.103 -1.789 1.00 10.00 C ATOM 348 O THR A 41 11.841 5.281 -1.786 1.00 10.00 O ATOM 349 CB THR A 41 14.581 3.476 -2.247 1.00 10.00 C ATOM 350 OG1 THR A 41 15.903 3.597 -1.709 1.00 10.00 O ATOM 351 CG2 THR A 41 14.404 4.464 -3.394 1.00 10.00 C ATOM 0 H THR A 41 12.334 2.141 -0.421 1.00 10.00 H new ATOM 0 HA THR A 41 13.894 4.473 -0.473 1.00 10.00 H new ATOM 0 HB THR A 41 14.441 2.468 -2.636 1.00 10.00 H new ATOM 0 HG1 THR A 41 15.909 3.279 -0.782 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.165 4.281 -4.153 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.415 4.337 -3.834 1.00 10.00 H new ATOM 0 HG23 THR A 41 14.505 5.482 -3.017 1.00 10.00 H new ATOM 359 N THR A 42 11.511 3.096 -2.316 1.00 10.00 N ATOM 360 CA THR A 42 10.235 3.274 -2.983 1.00 10.00 C ATOM 361 C THR A 42 9.258 4.078 -2.127 1.00 10.00 C ATOM 362 O THR A 42 8.723 3.576 -1.135 1.00 10.00 O ATOM 363 CB THR A 42 9.617 1.900 -3.294 1.00 10.00 C ATOM 364 OG1 THR A 42 10.638 0.985 -3.732 1.00 10.00 O ATOM 365 CG2 THR A 42 8.540 2.017 -4.349 1.00 10.00 C ATOM 0 H THR A 42 11.825 2.126 -2.288 1.00 10.00 H new ATOM 0 HA THR A 42 10.417 3.826 -3.905 1.00 10.00 H new ATOM 0 HB THR A 42 9.161 1.518 -2.381 1.00 10.00 H new ATOM 0 HG1 THR A 42 11.047 1.322 -4.557 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.119 1.032 -4.550 1.00 10.00 H new ATOM 0 HG22 THR A 42 7.753 2.682 -3.993 1.00 10.00 H new ATOM 0 HG23 THR A 42 8.970 2.422 -5.265 1.00 10.00 H new ATOM 373 N HIS A 43 9.059 5.334 -2.500 1.00 10.00 N ATOM 374 CA HIS A 43 8.146 6.214 -1.787 1.00 10.00 C ATOM 375 C HIS A 43 6.730 5.662 -1.885 1.00 10.00 C ATOM 376 O HIS A 43 6.369 5.033 -2.884 1.00 10.00 O ATOM 377 CB HIS A 43 8.204 7.633 -2.368 1.00 10.00 C ATOM 378 CG HIS A 43 9.603 8.114 -2.644 1.00 10.00 C ATOM 379 ND1 HIS A 43 10.075 8.256 -3.929 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.585 8.462 -1.774 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.321 8.685 -3.813 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.670 8.823 -2.530 1.00 10.00 N ATOM 0 H HIS A 43 9.522 5.768 -3.298 1.00 10.00 H new ATOM 0 HA HIS A 43 8.443 6.262 -0.739 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.630 7.661 -3.294 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.723 8.321 -1.673 1.00 10.00 H new ATOM 0 HD2 HIS A 43 10.523 8.456 -0.696 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.973 8.897 -4.648 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.574 9.138 -2.179 1.00 10.00 H new ATOM 390 N LEU A 44 5.916 5.911 -0.866 1.00 10.00 N ATOM 391 CA LEU A 44 4.547 5.405 -0.853 1.00 10.00 C ATOM 392 C LEU A 44 3.680 6.118 -1.893 1.00 10.00 C ATOM 393 O LEU A 44 2.508 5.787 -2.079 1.00 10.00 O ATOM 394 CB LEU A 44 3.941 5.512 0.550 1.00 10.00 C ATOM 395 CG LEU A 44 4.720 4.772 1.650 1.00 10.00 C ATOM 396 CD1 LEU A 44 3.925 4.737 2.945 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.071 3.358 1.209 1.00 10.00 C ATOM 0 H LEU A 44 6.176 6.456 -0.044 1.00 10.00 H new ATOM 0 HA LEU A 44 4.576 4.350 -1.125 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.871 6.566 0.820 1.00 10.00 H new ATOM 0 HB3 LEU A 44 2.923 5.123 0.521 1.00 10.00 H new ATOM 0 HG LEU A 44 5.647 5.318 1.828 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.496 4.209 3.708 1.00 10.00 H new ATOM 0 HD12 LEU A 44 3.729 5.756 3.279 1.00 10.00 H new ATOM 0 HD13 LEU A 44 2.979 4.221 2.778 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.622 2.855 2.004 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.156 2.806 0.996 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.687 3.399 0.311 1.00 10.00 H new ATOM 409 N LYS A 45 4.271 7.093 -2.576 1.00 10.00 N ATOM 410 CA LYS A 45 3.584 7.825 -3.629 1.00 10.00 C ATOM 411 C LYS A 45 3.330 6.882 -4.803 1.00 10.00 C ATOM 412 O LYS A 45 2.240 6.853 -5.374 1.00 10.00 O ATOM 413 CB LYS A 45 4.430 9.027 -4.067 1.00 10.00 C ATOM 414 CG LYS A 45 3.842 9.831 -5.221 1.00 10.00 C ATOM 415 CD LYS A 45 2.436 10.319 -4.913 1.00 10.00 C ATOM 416 CE LYS A 45 2.085 11.571 -5.703 1.00 10.00 C ATOM 417 NZ LYS A 45 2.543 12.807 -5.013 1.00 10.00 N ATOM 0 H LYS A 45 5.232 7.395 -2.416 1.00 10.00 H new ATOM 0 HA LYS A 45 2.629 8.200 -3.261 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.566 9.690 -3.212 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.419 8.672 -4.356 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.485 10.686 -5.433 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.824 9.215 -6.120 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.719 9.531 -5.144 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.349 10.526 -3.846 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.541 11.517 -6.692 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.006 11.616 -5.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 2.038 13.629 -5.401 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 2.346 12.729 -3.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 3.565 12.928 -5.160 1.00 10.00 H new ATOM 431 N LYS A 46 4.348 6.089 -5.124 1.00 10.00 N ATOM 432 CA LYS A 46 4.278 5.113 -6.205 1.00 10.00 C ATOM 433 C LYS A 46 3.328 3.976 -5.821 1.00 10.00 C ATOM 434 O LYS A 46 2.744 3.317 -6.680 1.00 10.00 O ATOM 435 CB LYS A 46 5.690 4.576 -6.475 1.00 10.00 C ATOM 436 CG LYS A 46 5.834 3.632 -7.672 1.00 10.00 C ATOM 437 CD LYS A 46 5.573 4.298 -9.019 1.00 10.00 C ATOM 438 CE LYS A 46 6.230 5.667 -9.152 1.00 10.00 C ATOM 439 NZ LYS A 46 7.697 5.566 -9.385 1.00 10.00 N ATOM 0 H LYS A 46 5.246 6.106 -4.641 1.00 10.00 H new ATOM 0 HA LYS A 46 3.893 5.582 -7.110 1.00 10.00 H new ATOM 0 HB2 LYS A 46 6.357 5.425 -6.625 1.00 10.00 H new ATOM 0 HB3 LYS A 46 6.035 4.054 -5.583 1.00 10.00 H new ATOM 0 HG2 LYS A 46 6.841 3.214 -7.673 1.00 10.00 H new ATOM 0 HG3 LYS A 46 5.143 2.798 -7.550 1.00 10.00 H new ATOM 0 HD2 LYS A 46 5.938 3.649 -9.814 1.00 10.00 H new ATOM 0 HD3 LYS A 46 4.498 4.403 -9.162 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.769 6.211 -9.977 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.047 6.246 -8.247 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 8.192 6.259 -8.788 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.022 4.608 -9.144 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.904 5.760 -10.386 1.00 10.00 H new ATOM 453 N LEU A 47 3.172 3.772 -4.519 1.00 10.00 N ATOM 454 CA LEU A 47 2.308 2.723 -3.990 1.00 10.00 C ATOM 455 C LEU A 47 0.835 3.012 -4.251 1.00 10.00 C ATOM 456 O LEU A 47 0.166 2.293 -4.999 1.00 10.00 O ATOM 457 CB LEU A 47 2.515 2.583 -2.477 1.00 10.00 C ATOM 458 CG LEU A 47 3.560 1.562 -2.034 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.337 0.229 -2.723 1.00 10.00 C ATOM 460 CD2 LEU A 47 4.964 2.084 -2.290 1.00 10.00 C ATOM 0 H LEU A 47 3.639 4.327 -3.802 1.00 10.00 H new ATOM 0 HA LEU A 47 2.578 1.799 -4.501 1.00 10.00 H new ATOM 0 HB2 LEU A 47 2.796 3.557 -2.078 1.00 10.00 H new ATOM 0 HB3 LEU A 47 1.561 2.316 -2.023 1.00 10.00 H new ATOM 0 HG LEU A 47 3.451 1.405 -0.961 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.093 -0.483 -2.392 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.347 -0.150 -2.470 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.410 0.361 -3.803 1.00 10.00 H new ATOM 0 HD21 LEU A 47 5.693 1.341 -1.967 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.091 2.278 -3.355 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.116 3.008 -1.732 1.00 10.00 H new ATOM 472 N LYS A 48 0.356 4.084 -3.635 1.00 10.00 N ATOM 473 CA LYS A 48 -1.040 4.493 -3.728 1.00 10.00 C ATOM 474 C LYS A 48 -1.524 4.645 -5.169 1.00 10.00 C ATOM 475 O LYS A 48 -2.633 4.221 -5.493 1.00 10.00 O ATOM 476 CB LYS A 48 -1.247 5.797 -2.956 1.00 10.00 C ATOM 477 CG LYS A 48 -1.166 5.612 -1.446 1.00 10.00 C ATOM 478 CD LYS A 48 -0.788 6.898 -0.729 1.00 10.00 C ATOM 479 CE LYS A 48 -1.884 7.947 -0.831 1.00 10.00 C ATOM 480 NZ LYS A 48 -1.422 9.273 -0.344 1.00 10.00 N ATOM 0 H LYS A 48 0.927 4.698 -3.054 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.639 3.698 -3.284 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.495 6.522 -3.269 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.220 6.215 -3.214 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -2.127 5.259 -1.073 1.00 10.00 H new ATOM 0 HG3 LYS A 48 -0.432 4.840 -1.215 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.588 6.683 0.321 1.00 10.00 H new ATOM 0 HD3 LYS A 48 0.134 7.294 -1.155 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.210 8.033 -1.868 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.749 7.627 -0.250 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -2.218 9.778 0.096 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -0.665 9.141 0.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.059 9.830 -1.144 1.00 10.00 H new ATOM 494 N GLU A 49 -0.707 5.233 -6.036 1.00 10.00 N ATOM 495 CA GLU A 49 -1.117 5.426 -7.425 1.00 10.00 C ATOM 496 C GLU A 49 -1.208 4.099 -8.182 1.00 10.00 C ATOM 497 O GLU A 49 -2.138 3.887 -8.960 1.00 10.00 O ATOM 498 CB GLU A 49 -0.183 6.402 -8.154 1.00 10.00 C ATOM 499 CG GLU A 49 1.256 5.930 -8.272 1.00 10.00 C ATOM 500 CD GLU A 49 1.963 6.524 -9.475 1.00 10.00 C ATOM 501 OE1 GLU A 49 2.035 5.843 -10.519 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.440 7.676 -9.389 1.00 10.00 O ATOM 0 H GLU A 49 0.226 5.579 -5.810 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.115 5.863 -7.402 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.576 6.582 -9.155 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.196 7.358 -7.630 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.799 6.199 -7.366 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.274 4.843 -8.344 1.00 10.00 H new ATOM 509 N SER A 50 -0.269 3.194 -7.928 1.00 10.00 N ATOM 510 CA SER A 50 -0.254 1.903 -8.608 1.00 10.00 C ATOM 511 C SER A 50 -1.368 0.986 -8.107 1.00 10.00 C ATOM 512 O SER A 50 -1.982 0.264 -8.893 1.00 10.00 O ATOM 513 CB SER A 50 1.100 1.223 -8.434 1.00 10.00 C ATOM 514 OG SER A 50 2.152 2.044 -8.917 1.00 10.00 O ATOM 0 H SER A 50 0.489 3.329 -7.259 1.00 10.00 H new ATOM 0 HA SER A 50 -0.427 2.091 -9.668 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.265 0.999 -7.380 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.103 0.272 -8.967 1.00 10.00 H new ATOM 0 HG SER A 50 2.599 2.481 -8.162 1.00 10.00 H new ATOM 520 N TYR A 51 -1.634 1.020 -6.801 1.00 10.00 N ATOM 521 CA TYR A 51 -2.681 0.182 -6.220 1.00 10.00 C ATOM 522 C TYR A 51 -4.033 0.512 -6.847 1.00 10.00 C ATOM 523 O TYR A 51 -4.817 -0.384 -7.171 1.00 10.00 O ATOM 524 CB TYR A 51 -2.748 0.363 -4.699 1.00 10.00 C ATOM 525 CG TYR A 51 -3.478 -0.760 -3.985 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.779 -1.736 -3.288 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.865 -0.848 -4.017 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.440 -2.765 -2.646 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.531 -1.874 -3.373 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.816 -2.829 -2.691 1.00 10.00 C ATOM 531 OH TYR A 51 -5.477 -3.858 -2.059 1.00 10.00 O ATOM 0 H TYR A 51 -1.144 1.613 -6.131 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.437 -0.859 -6.431 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.734 0.434 -4.305 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.244 1.307 -4.475 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.701 -1.690 -3.247 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.432 -0.102 -4.554 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.880 -3.517 -2.110 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.609 -1.925 -3.406 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.443 -3.754 -2.187 1.00 10.00 H new ATOM 541 N CYS A 52 -4.291 1.800 -7.035 1.00 10.00 N ATOM 542 CA CYS A 52 -5.543 2.245 -7.630 1.00 10.00 C ATOM 543 C CYS A 52 -5.659 1.729 -9.063 1.00 10.00 C ATOM 544 O CYS A 52 -6.745 1.364 -9.516 1.00 10.00 O ATOM 545 CB CYS A 52 -5.628 3.772 -7.603 1.00 10.00 C ATOM 546 SG CYS A 52 -5.512 4.485 -5.947 1.00 10.00 S ATOM 0 H CYS A 52 -3.651 2.553 -6.784 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.371 1.841 -7.048 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.828 4.181 -8.220 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.570 4.081 -8.055 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.262 4.576 -5.600 1.00 10.00 H new ATOM 552 N GLN A 53 -4.527 1.676 -9.759 1.00 10.00 N ATOM 553 CA GLN A 53 -4.491 1.195 -11.134 1.00 10.00 C ATOM 554 C GLN A 53 -4.790 -0.298 -11.187 1.00 10.00 C ATOM 555 O GLN A 53 -5.457 -0.771 -12.107 1.00 10.00 O ATOM 556 CB GLN A 53 -3.127 1.482 -11.765 1.00 10.00 C ATOM 557 CG GLN A 53 -2.829 2.963 -11.916 1.00 10.00 C ATOM 558 CD GLN A 53 -1.379 3.236 -12.262 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.486 2.474 -11.895 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.135 4.328 -12.967 1.00 10.00 N ATOM 0 H GLN A 53 -3.620 1.962 -9.390 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.257 1.723 -11.701 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.349 1.023 -11.154 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.082 1.009 -12.746 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.469 3.381 -12.694 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.079 3.476 -10.988 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.905 4.934 -13.252 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.177 4.564 -13.226 1.00 10.00 H new ATOM 569 N ARG A 54 -4.302 -1.032 -10.186 1.00 10.00 N ATOM 570 CA ARG A 54 -4.518 -2.475 -10.105 1.00 10.00 C ATOM 571 C ARG A 54 -6.000 -2.781 -9.906 1.00 10.00 C ATOM 572 O ARG A 54 -6.542 -3.709 -10.506 1.00 10.00 O ATOM 573 CB ARG A 54 -3.701 -3.077 -8.956 1.00 10.00 C ATOM 574 CG ARG A 54 -3.791 -4.595 -8.868 1.00 10.00 C ATOM 575 CD ARG A 54 -2.884 -5.273 -9.883 1.00 10.00 C ATOM 576 NE ARG A 54 -3.355 -6.614 -10.235 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.783 -7.391 -11.156 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.713 -6.965 -11.820 1.00 10.00 N ATOM 579 NH2 ARG A 54 -3.289 -8.590 -11.418 1.00 10.00 N ATOM 0 H ARG A 54 -3.752 -0.648 -9.418 1.00 10.00 H new ATOM 0 HA ARG A 54 -4.188 -2.923 -11.042 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.656 -2.791 -9.076 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -4.043 -2.647 -8.015 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.518 -4.918 -7.863 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.822 -4.909 -9.035 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.828 -4.661 -10.783 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.874 -5.339 -9.479 1.00 10.00 H new ATOM 0 HE ARG A 54 -4.172 -6.977 -9.745 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -1.327 -6.041 -11.626 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -1.278 -7.562 -12.524 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -4.114 -8.916 -10.915 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -2.852 -9.185 -12.122 1.00 10.00 H new ATOM 593 N GLN A 55 -6.651 -1.988 -9.064 1.00 10.00 N ATOM 594 CA GLN A 55 -8.071 -2.169 -8.795 1.00 10.00 C ATOM 595 C GLN A 55 -8.906 -1.636 -9.958 1.00 10.00 C ATOM 596 O GLN A 55 -10.022 -2.091 -10.202 1.00 10.00 O ATOM 597 CB GLN A 55 -8.468 -1.457 -7.499 1.00 10.00 C ATOM 598 CG GLN A 55 -7.864 -2.070 -6.247 1.00 10.00 C ATOM 599 CD GLN A 55 -8.067 -3.570 -6.172 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.200 -4.344 -6.576 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.215 -3.987 -5.661 1.00 10.00 N ATOM 0 H GLN A 55 -6.219 -1.215 -8.557 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.263 -3.236 -8.682 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.164 -0.412 -7.563 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.554 -1.468 -7.409 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.797 -1.850 -6.219 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.309 -1.603 -5.368 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.906 -3.309 -5.338 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.409 -4.986 -5.590 1.00 10.00 H new ATOM 610 N GLY A 56 -8.351 -0.670 -10.674 1.00 10.00 N ATOM 611 CA GLY A 56 -9.053 -0.088 -11.799 1.00 10.00 C ATOM 612 C GLY A 56 -9.922 1.075 -11.381 1.00 10.00 C ATOM 613 O GLY A 56 -10.981 1.307 -11.963 1.00 10.00 O ATOM 0 H GLY A 56 -7.426 -0.278 -10.496 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.331 0.248 -12.543 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.670 -0.850 -12.275 1.00 10.00 H new ATOM 617 N VAL A 57 -9.471 1.801 -10.367 1.00 10.00 N ATOM 618 CA VAL A 57 -10.195 2.953 -9.848 1.00 10.00 C ATOM 619 C VAL A 57 -9.272 4.168 -9.789 1.00 10.00 C ATOM 620 O VAL A 57 -8.052 4.013 -9.710 1.00 10.00 O ATOM 621 CB VAL A 57 -10.763 2.675 -8.436 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.942 1.714 -8.505 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.682 2.126 -7.518 1.00 10.00 C ATOM 0 H VAL A 57 -8.595 1.608 -9.882 1.00 10.00 H new ATOM 0 HA VAL A 57 -11.028 3.152 -10.523 1.00 10.00 H new ATOM 0 HB VAL A 57 -11.116 3.620 -8.024 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.324 1.534 -7.500 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.730 2.148 -9.120 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.617 0.771 -8.944 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -10.104 1.938 -6.531 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.293 1.195 -7.930 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.873 2.851 -7.434 1.00 10.00 H new ATOM 633 N PRO A 58 -9.833 5.388 -9.844 1.00 10.00 N ATOM 634 CA PRO A 58 -9.040 6.622 -9.781 1.00 10.00 C ATOM 635 C PRO A 58 -8.339 6.783 -8.433 1.00 10.00 C ATOM 636 O PRO A 58 -8.671 6.102 -7.463 1.00 10.00 O ATOM 637 CB PRO A 58 -10.078 7.731 -9.981 1.00 10.00 C ATOM 638 CG PRO A 58 -11.383 7.116 -9.614 1.00 10.00 C ATOM 639 CD PRO A 58 -11.275 5.665 -9.984 1.00 10.00 C ATOM 0 HA PRO A 58 -8.244 6.634 -10.525 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.859 8.594 -9.352 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.085 8.082 -11.013 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.584 7.233 -8.549 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.204 7.595 -10.148 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.872 5.036 -9.324 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.623 5.482 -11.000 1.00 10.00 H new ATOM 647 N MET A 59 -7.376 7.685 -8.374 1.00 10.00 N ATOM 648 CA MET A 59 -6.633 7.923 -7.142 1.00 10.00 C ATOM 649 C MET A 59 -7.510 8.644 -6.116 1.00 10.00 C ATOM 650 O MET A 59 -8.442 9.363 -6.489 1.00 10.00 O ATOM 651 CB MET A 59 -5.373 8.740 -7.437 1.00 10.00 C ATOM 652 CG MET A 59 -4.303 8.627 -6.364 1.00 10.00 C ATOM 653 SD MET A 59 -2.746 9.389 -6.859 1.00 10.00 S ATOM 654 CE MET A 59 -1.697 8.948 -5.478 1.00 10.00 C ATOM 0 H MET A 59 -7.088 8.266 -9.161 1.00 10.00 H new ATOM 0 HA MET A 59 -6.337 6.961 -6.723 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.955 8.414 -8.389 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.650 9.788 -7.552 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.660 9.099 -5.448 1.00 10.00 H new ATOM 0 HG3 MET A 59 -4.132 7.575 -6.135 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.696 9.350 -5.638 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.112 9.363 -4.559 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.643 7.863 -5.394 1.00 10.00 H new ATOM 664 N ASN A 60 -7.212 8.417 -4.831 1.00 10.00 N ATOM 665 CA ASN A 60 -7.942 9.028 -3.710 1.00 10.00 C ATOM 666 C ASN A 60 -9.313 8.377 -3.533 1.00 10.00 C ATOM 667 O ASN A 60 -10.248 8.988 -3.016 1.00 10.00 O ATOM 668 CB ASN A 60 -8.090 10.549 -3.895 1.00 10.00 C ATOM 669 CG ASN A 60 -8.106 11.307 -2.578 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.070 11.778 -2.109 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.275 11.428 -1.969 1.00 10.00 N ATOM 0 H ASN A 60 -6.454 7.801 -4.537 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.357 8.855 -2.807 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.268 10.917 -4.510 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -9.012 10.756 -4.438 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.338 11.925 -1.081 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.113 11.024 -2.388 1.00 10.00 H new ATOM 678 N SER A 61 -9.428 7.130 -3.968 1.00 10.00 N ATOM 679 CA SER A 61 -10.679 6.397 -3.845 1.00 10.00 C ATOM 680 C SER A 61 -10.589 5.384 -2.710 1.00 10.00 C ATOM 681 O SER A 61 -11.600 4.998 -2.119 1.00 10.00 O ATOM 682 CB SER A 61 -11.001 5.679 -5.155 1.00 10.00 C ATOM 683 OG SER A 61 -9.922 4.856 -5.555 1.00 10.00 O ATOM 0 H SER A 61 -8.672 6.606 -4.408 1.00 10.00 H new ATOM 0 HA SER A 61 -11.476 7.107 -3.623 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.899 5.074 -5.032 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.214 6.411 -5.934 1.00 10.00 H new ATOM 0 HG SER A 61 -9.240 5.403 -5.998 1.00 10.00 H new ATOM 689 N LEU A 62 -9.367 4.967 -2.408 1.00 10.00 N ATOM 690 CA LEU A 62 -9.119 3.992 -1.359 1.00 10.00 C ATOM 691 C LEU A 62 -8.090 4.521 -0.367 1.00 10.00 C ATOM 692 O LEU A 62 -7.038 5.031 -0.764 1.00 10.00 O ATOM 693 CB LEU A 62 -8.613 2.679 -1.965 1.00 10.00 C ATOM 694 CG LEU A 62 -9.566 1.998 -2.953 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.815 0.980 -3.798 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.714 1.328 -2.212 1.00 10.00 C ATOM 0 H LEU A 62 -8.525 5.294 -2.881 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.057 3.811 -0.835 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.669 2.874 -2.474 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.400 1.983 -1.154 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.980 2.760 -3.613 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.506 0.505 -4.495 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -8.025 1.482 -4.356 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.375 0.222 -3.149 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.380 0.850 -2.930 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.317 0.577 -1.529 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.268 2.077 -1.646 1.00 10.00 H new ATOM 708 N ARG A 63 -8.399 4.408 0.916 1.00 10.00 N ATOM 709 CA ARG A 63 -7.495 4.860 1.961 1.00 10.00 C ATOM 710 C ARG A 63 -6.768 3.670 2.564 1.00 10.00 C ATOM 711 O ARG A 63 -7.336 2.581 2.689 1.00 10.00 O ATOM 712 CB ARG A 63 -8.247 5.620 3.058 1.00 10.00 C ATOM 713 CG ARG A 63 -9.228 4.761 3.840 1.00 10.00 C ATOM 714 CD ARG A 63 -9.815 5.516 5.025 1.00 10.00 C ATOM 715 NE ARG A 63 -10.962 4.812 5.597 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.200 4.898 5.114 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.455 5.656 4.054 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.185 4.219 5.688 1.00 10.00 N ATOM 0 H ARG A 63 -9.272 4.006 1.258 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.772 5.541 1.512 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.523 6.050 3.750 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.788 6.451 2.605 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.033 4.435 3.181 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.723 3.862 4.195 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.049 5.646 5.790 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.121 6.513 4.707 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.805 4.221 6.413 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.701 6.176 3.606 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.405 5.718 3.688 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.994 3.631 6.499 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.133 4.285 5.318 1.00 10.00 H new ATOM 732 N PHE A 64 -5.518 3.880 2.932 1.00 10.00 N ATOM 733 CA PHE A 64 -4.711 2.828 3.525 1.00 10.00 C ATOM 734 C PHE A 64 -4.475 3.124 4.995 1.00 10.00 C ATOM 735 O PHE A 64 -3.992 4.201 5.348 1.00 10.00 O ATOM 736 CB PHE A 64 -3.381 2.693 2.784 1.00 10.00 C ATOM 737 CG PHE A 64 -3.537 2.198 1.375 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.773 3.085 0.336 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.452 0.845 1.091 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.923 2.630 -0.960 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.600 0.384 -0.203 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.835 1.279 -1.229 1.00 10.00 C ATOM 0 H PHE A 64 -5.037 4.774 2.830 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.246 1.882 3.439 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.881 3.661 2.769 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.734 2.009 3.333 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.840 4.143 0.542 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.268 0.142 1.890 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -4.109 3.330 -1.761 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.532 -0.673 -0.412 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.950 0.921 -2.242 1.00 10.00 H new ATOM 752 N LEU A 65 -4.826 2.172 5.844 1.00 10.00 N ATOM 753 CA LEU A 65 -4.675 2.335 7.280 1.00 10.00 C ATOM 754 C LEU A 65 -3.610 1.399 7.828 1.00 10.00 C ATOM 755 O LEU A 65 -3.617 0.195 7.552 1.00 10.00 O ATOM 756 CB LEU A 65 -6.005 2.077 7.989 1.00 10.00 C ATOM 757 CG LEU A 65 -7.133 3.043 7.628 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.439 2.581 8.246 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.797 4.455 8.084 1.00 10.00 C ATOM 0 H LEU A 65 -5.219 1.274 5.561 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.362 3.362 7.468 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.330 1.062 7.759 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.840 2.123 9.065 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.246 3.053 6.544 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.234 3.278 7.981 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.688 1.588 7.872 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.335 2.544 9.330 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.613 5.127 7.818 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.657 4.465 9.165 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.880 4.786 7.597 1.00 10.00 H new ATOM 771 N PHE A 66 -2.699 1.967 8.597 1.00 10.00 N ATOM 772 CA PHE A 66 -1.622 1.221 9.211 1.00 10.00 C ATOM 773 C PHE A 66 -1.486 1.636 10.670 1.00 10.00 C ATOM 774 O PHE A 66 -1.228 2.804 10.970 1.00 10.00 O ATOM 775 CB PHE A 66 -0.309 1.460 8.461 1.00 10.00 C ATOM 776 CG PHE A 66 0.887 0.825 9.114 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.053 -0.551 9.100 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.844 1.606 9.741 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.151 -1.135 9.700 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.945 1.026 10.342 1.00 10.00 C ATOM 781 CZ PHE A 66 3.098 -0.345 10.321 1.00 10.00 C ATOM 0 H PHE A 66 -2.688 2.964 8.813 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.850 0.156 9.162 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.405 1.073 7.446 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.139 2.533 8.378 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.316 -1.173 8.615 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.728 2.680 9.760 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.269 -2.208 9.684 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.685 1.645 10.828 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.958 -0.800 10.790 1.00 10.00 H new ATOM 791 N GLU A 67 -1.695 0.680 11.568 1.00 10.00 N ATOM 792 CA GLU A 67 -1.601 0.919 13.006 1.00 10.00 C ATOM 793 C GLU A 67 -2.599 1.982 13.465 1.00 10.00 C ATOM 794 O GLU A 67 -2.333 2.736 14.405 1.00 10.00 O ATOM 795 CB GLU A 67 -0.173 1.313 13.396 1.00 10.00 C ATOM 796 CG GLU A 67 0.779 0.130 13.477 1.00 10.00 C ATOM 797 CD GLU A 67 0.426 -0.826 14.599 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.473 -1.675 14.410 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.046 -0.735 15.679 1.00 10.00 O ATOM 0 H GLU A 67 -1.934 -0.281 11.322 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.855 -0.012 13.513 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.210 2.029 12.669 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.194 1.819 14.361 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.766 -0.408 12.529 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.796 0.496 13.622 1.00 10.00 H new ATOM 806 N GLY A 68 -3.742 2.044 12.794 1.00 10.00 N ATOM 807 CA GLY A 68 -4.770 3.002 13.158 1.00 10.00 C ATOM 808 C GLY A 68 -4.658 4.323 12.419 1.00 10.00 C ATOM 809 O GLY A 68 -5.635 5.068 12.327 1.00 10.00 O ATOM 0 H GLY A 68 -3.977 1.446 12.002 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.749 2.566 12.959 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.717 3.189 14.230 1.00 10.00 H new ATOM 813 N GLN A 69 -3.479 4.621 11.890 1.00 10.00 N ATOM 814 CA GLN A 69 -3.264 5.871 11.169 1.00 10.00 C ATOM 815 C GLN A 69 -3.337 5.636 9.669 1.00 10.00 C ATOM 816 O GLN A 69 -3.169 4.513 9.207 1.00 10.00 O ATOM 817 CB GLN A 69 -1.917 6.488 11.554 1.00 10.00 C ATOM 818 CG GLN A 69 -1.835 6.879 13.021 1.00 10.00 C ATOM 819 CD GLN A 69 -0.586 7.672 13.352 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.454 7.522 12.710 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.681 8.526 14.359 1.00 10.00 N ATOM 0 H GLN A 69 -2.659 4.017 11.945 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.052 6.571 11.447 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.122 5.777 11.329 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.740 7.370 10.939 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.714 7.468 13.284 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.860 5.978 13.634 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.561 8.621 14.866 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.126 9.089 14.628 1.00 10.00 H new ATOM 830 N ARG A 70 -3.597 6.689 8.912 1.00 10.00 N ATOM 831 CA ARG A 70 -3.704 6.570 7.464 1.00 10.00 C ATOM 832 C ARG A 70 -2.403 6.971 6.782 1.00 10.00 C ATOM 833 O ARG A 70 -1.667 7.829 7.274 1.00 10.00 O ATOM 834 CB ARG A 70 -4.865 7.415 6.934 1.00 10.00 C ATOM 835 CG ARG A 70 -4.689 8.910 7.137 1.00 10.00 C ATOM 836 CD ARG A 70 -5.819 9.693 6.488 1.00 10.00 C ATOM 837 NE ARG A 70 -5.991 9.339 5.080 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.152 9.392 4.429 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.255 9.787 5.051 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.214 9.029 3.159 1.00 10.00 N ATOM 0 H ARG A 70 -3.738 7.633 9.272 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.902 5.524 7.231 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.988 7.216 5.869 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.785 7.098 7.426 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.655 9.133 8.203 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.735 9.227 6.715 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.748 9.503 7.026 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.615 10.761 6.571 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.168 9.031 4.562 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.218 10.053 6.035 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.140 9.825 4.545 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.373 8.709 2.679 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.103 9.069 2.660 1.00 10.00 H new ATOM 854 N ILE A 71 -2.129 6.333 5.653 1.00 10.00 N ATOM 855 CA ILE A 71 -0.927 6.606 4.879 1.00 10.00 C ATOM 856 C ILE A 71 -1.036 7.955 4.174 1.00 10.00 C ATOM 857 O ILE A 71 -2.041 8.246 3.519 1.00 10.00 O ATOM 858 CB ILE A 71 -0.676 5.491 3.835 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.501 4.134 4.531 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.536 5.816 2.972 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.686 4.071 5.470 1.00 10.00 C ATOM 0 H ILE A 71 -2.731 5.615 5.249 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.085 6.633 5.571 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.547 5.433 3.182 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.407 3.906 5.092 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.392 3.359 3.772 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.691 5.017 2.247 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.367 6.756 2.446 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.419 5.908 3.605 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.740 3.080 5.922 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.602 4.266 4.912 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.571 4.821 6.253 1.00 10.00 H new ATOM 873 N ALA A 72 -0.008 8.780 4.331 1.00 10.00 N ATOM 874 CA ALA A 72 0.025 10.097 3.713 1.00 10.00 C ATOM 875 C ALA A 72 0.560 10.009 2.285 1.00 10.00 C ATOM 876 O ALA A 72 0.586 8.934 1.686 1.00 10.00 O ATOM 877 CB ALA A 72 0.871 11.048 4.547 1.00 10.00 C ATOM 0 H ALA A 72 0.819 8.557 4.885 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.992 10.486 3.669 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.888 12.030 4.074 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.444 11.134 5.546 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.888 10.662 4.619 1.00 10.00 H new ATOM 883 N ASP A 73 0.975 11.138 1.735 1.00 10.00 N ATOM 884 CA ASP A 73 1.506 11.168 0.379 1.00 10.00 C ATOM 885 C ASP A 73 3.028 11.206 0.397 1.00 10.00 C ATOM 886 O ASP A 73 3.683 10.736 -0.530 1.00 10.00 O ATOM 887 CB ASP A 73 0.961 12.379 -0.376 1.00 10.00 C ATOM 888 CG ASP A 73 0.582 12.042 -1.802 1.00 10.00 C ATOM 889 OD1 ASP A 73 -0.375 11.262 -1.998 1.00 10.00 O ATOM 890 OD2 ASP A 73 1.229 12.554 -2.734 1.00 10.00 O ATOM 0 H ASP A 73 0.955 12.044 2.203 1.00 10.00 H new ATOM 0 HA ASP A 73 1.189 10.259 -0.132 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.088 12.768 0.148 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.710 13.171 -0.379 1.00 10.00 H new ATOM 895 N ASN A 74 3.581 11.752 1.472 1.00 10.00 N ATOM 896 CA ASN A 74 5.028 11.871 1.625 1.00 10.00 C ATOM 897 C ASN A 74 5.574 10.818 2.587 1.00 10.00 C ATOM 898 O ASN A 74 6.731 10.890 3.006 1.00 10.00 O ATOM 899 CB ASN A 74 5.385 13.263 2.153 1.00 10.00 C ATOM 900 CG ASN A 74 4.933 13.472 3.590 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.873 12.993 4.002 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.741 14.179 4.365 1.00 10.00 N ATOM 0 H ASN A 74 3.046 12.123 2.257 1.00 10.00 H new ATOM 0 HA ASN A 74 5.479 11.715 0.645 1.00 10.00 H new ATOM 0 HB2 ASN A 74 6.464 13.407 2.090 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.925 14.019 1.517 1.00 10.00 H new ATOM 0 HD21 ASN A 74 5.496 14.345 5.341 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.609 14.558 3.986 1.00 10.00 H new ATOM 909 N HIS A 75 4.741 9.848 2.937 1.00 10.00 N ATOM 910 CA HIS A 75 5.145 8.797 3.860 1.00 10.00 C ATOM 911 C HIS A 75 6.146 7.846 3.210 1.00 10.00 C ATOM 912 O HIS A 75 6.050 7.532 2.021 1.00 10.00 O ATOM 913 CB HIS A 75 3.927 8.009 4.353 1.00 10.00 C ATOM 914 CG HIS A 75 3.295 8.567 5.596 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.167 7.997 6.141 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.668 9.621 6.359 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.883 8.713 7.216 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.764 9.706 7.386 1.00 10.00 N ATOM 0 H HIS A 75 3.783 9.767 2.596 1.00 10.00 H new ATOM 0 HA HIS A 75 5.626 9.277 4.712 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.180 7.982 3.560 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.227 6.979 4.543 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.515 10.270 6.191 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.047 8.521 7.873 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.763 10.396 8.138 1.00 10.00 H new ATOM 926 N THR A 76 7.114 7.412 3.998 1.00 10.00 N ATOM 927 CA THR A 76 8.137 6.488 3.537 1.00 10.00 C ATOM 928 C THR A 76 8.028 5.167 4.299 1.00 10.00 C ATOM 929 O THR A 76 7.499 5.139 5.409 1.00 10.00 O ATOM 930 CB THR A 76 9.549 7.080 3.733 1.00 10.00 C ATOM 931 OG1 THR A 76 9.704 7.548 5.081 1.00 10.00 O ATOM 932 CG2 THR A 76 9.800 8.224 2.762 1.00 10.00 C ATOM 0 H THR A 76 7.214 7.689 4.974 1.00 10.00 H new ATOM 0 HA THR A 76 7.979 6.313 2.473 1.00 10.00 H new ATOM 0 HB THR A 76 10.277 6.293 3.536 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.040 8.246 5.263 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.802 8.623 2.921 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.713 7.858 1.739 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.065 9.011 2.929 1.00 10.00 H new ATOM 940 N PRO A 77 8.527 4.057 3.729 1.00 10.00 N ATOM 941 CA PRO A 77 8.471 2.737 4.376 1.00 10.00 C ATOM 942 C PRO A 77 9.435 2.606 5.560 1.00 10.00 C ATOM 943 O PRO A 77 9.509 1.558 6.200 1.00 10.00 O ATOM 944 CB PRO A 77 8.879 1.760 3.259 1.00 10.00 C ATOM 945 CG PRO A 77 8.901 2.560 1.999 1.00 10.00 C ATOM 946 CD PRO A 77 9.163 3.981 2.407 1.00 10.00 C ATOM 0 HA PRO A 77 7.482 2.549 4.793 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.857 1.323 3.461 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.171 0.935 3.185 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.677 2.200 1.323 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.952 2.476 1.469 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.230 4.198 2.457 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.726 4.691 1.705 1.00 10.00 H new ATOM 954 N LYS A 78 10.174 3.670 5.846 1.00 10.00 N ATOM 955 CA LYS A 78 11.132 3.655 6.943 1.00 10.00 C ATOM 956 C LYS A 78 10.529 4.255 8.212 1.00 10.00 C ATOM 957 O LYS A 78 10.890 3.868 9.325 1.00 10.00 O ATOM 958 CB LYS A 78 12.407 4.409 6.537 1.00 10.00 C ATOM 959 CG LYS A 78 13.439 4.556 7.653 1.00 10.00 C ATOM 960 CD LYS A 78 13.832 3.214 8.260 1.00 10.00 C ATOM 961 CE LYS A 78 14.668 2.376 7.303 1.00 10.00 C ATOM 962 NZ LYS A 78 15.176 1.139 7.953 1.00 10.00 N ATOM 0 H LYS A 78 10.129 4.552 5.335 1.00 10.00 H new ATOM 0 HA LYS A 78 11.390 2.618 7.160 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.870 3.889 5.698 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.130 5.402 6.183 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.328 5.048 7.260 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.037 5.201 8.434 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.394 3.383 9.179 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.932 2.663 8.533 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.067 2.109 6.433 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.509 2.968 6.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.741 0.595 7.270 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.770 1.394 8.768 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.373 0.562 8.276 1.00 10.00 H new ATOM 976 N GLU A 79 9.597 5.180 8.053 1.00 10.00 N ATOM 977 CA GLU A 79 8.970 5.817 9.204 1.00 10.00 C ATOM 978 C GLU A 79 7.798 4.981 9.710 1.00 10.00 C ATOM 979 O GLU A 79 7.368 4.042 9.035 1.00 10.00 O ATOM 980 CB GLU A 79 8.505 7.231 8.850 1.00 10.00 C ATOM 981 CG GLU A 79 7.423 7.276 7.788 1.00 10.00 C ATOM 982 CD GLU A 79 7.210 8.667 7.244 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.576 9.493 7.935 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.688 8.947 6.126 1.00 10.00 O ATOM 0 H GLU A 79 9.259 5.506 7.148 1.00 10.00 H new ATOM 0 HA GLU A 79 9.711 5.887 10.000 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.135 7.717 9.752 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.362 7.809 8.505 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.691 6.606 6.971 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.488 6.906 8.209 1.00 10.00 H new ATOM 991 N LEU A 80 7.314 5.313 10.909 1.00 10.00 N ATOM 992 CA LEU A 80 6.184 4.621 11.549 1.00 10.00 C ATOM 993 C LEU A 80 6.585 3.238 12.070 1.00 10.00 C ATOM 994 O LEU A 80 6.269 2.882 13.205 1.00 10.00 O ATOM 995 CB LEU A 80 4.986 4.510 10.594 1.00 10.00 C ATOM 996 CG LEU A 80 3.759 5.339 10.986 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.795 5.445 9.815 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.064 4.730 12.195 1.00 10.00 C ATOM 0 H LEU A 80 7.695 6.075 11.470 1.00 10.00 H new ATOM 0 HA LEU A 80 5.885 5.225 12.406 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.307 4.814 9.598 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.691 3.463 10.528 1.00 10.00 H new ATOM 0 HG LEU A 80 4.092 6.342 11.252 1.00 10.00 H new ATOM 0 HD11 LEU A 80 1.928 6.037 10.110 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.295 5.927 8.975 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.470 4.447 9.520 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.195 5.334 12.458 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.743 3.716 11.958 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.755 4.704 13.037 1.00 10.00 H new ATOM 1010 N GLY A 81 7.269 2.460 11.243 1.00 10.00 N ATOM 1011 CA GLY A 81 7.699 1.141 11.654 1.00 10.00 C ATOM 1012 C GLY A 81 7.113 0.049 10.789 1.00 10.00 C ATOM 1013 O GLY A 81 6.240 -0.696 11.230 1.00 10.00 O ATOM 0 H GLY A 81 7.534 2.720 10.293 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.787 1.088 11.614 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.409 0.974 12.691 1.00 10.00 H new ATOM 1017 N MET A 82 7.587 -0.048 9.557 1.00 10.00 N ATOM 1018 CA MET A 82 7.102 -1.062 8.632 1.00 10.00 C ATOM 1019 C MET A 82 8.109 -2.198 8.514 1.00 10.00 C ATOM 1020 O MET A 82 9.322 -1.964 8.507 1.00 10.00 O ATOM 1021 CB MET A 82 6.840 -0.461 7.250 1.00 10.00 C ATOM 1022 CG MET A 82 5.655 0.487 7.203 1.00 10.00 C ATOM 1023 SD MET A 82 5.007 0.700 5.533 1.00 10.00 S ATOM 1024 CE MET A 82 3.518 1.642 5.864 1.00 10.00 C ATOM 0 H MET A 82 8.308 0.563 9.173 1.00 10.00 H new ATOM 0 HA MET A 82 6.164 -1.453 9.026 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.732 0.073 6.922 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.673 -1.270 6.539 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.864 0.108 7.850 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.954 1.457 7.600 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.005 1.853 4.926 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.861 1.067 6.516 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.782 2.580 6.352 1.00 10.00 H new ATOM 1034 N GLU A 83 7.609 -3.422 8.426 1.00 10.00 N ATOM 1035 CA GLU A 83 8.468 -4.596 8.309 1.00 10.00 C ATOM 1036 C GLU A 83 7.836 -5.648 7.404 1.00 10.00 C ATOM 1037 O GLU A 83 6.733 -5.461 6.895 1.00 10.00 O ATOM 1038 CB GLU A 83 8.746 -5.196 9.689 1.00 10.00 C ATOM 1039 CG GLU A 83 10.079 -4.774 10.276 1.00 10.00 C ATOM 1040 CD GLU A 83 11.254 -5.182 9.410 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.634 -6.372 9.437 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.806 -4.314 8.702 1.00 10.00 O ATOM 0 H GLU A 83 6.611 -3.630 8.433 1.00 10.00 H new ATOM 0 HA GLU A 83 9.410 -4.278 7.863 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.948 -4.902 10.371 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.718 -6.283 9.616 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.088 -3.692 10.407 1.00 10.00 H new ATOM 0 HG3 GLU A 83 10.192 -5.216 11.266 1.00 10.00 H new ATOM 1049 N GLU A 84 8.554 -6.745 7.203 1.00 10.00 N ATOM 1050 CA GLU A 84 8.075 -7.846 6.373 1.00 10.00 C ATOM 1051 C GLU A 84 6.905 -8.546 7.060 1.00 10.00 C ATOM 1052 O GLU A 84 6.866 -8.621 8.293 1.00 10.00 O ATOM 1053 CB GLU A 84 9.221 -8.835 6.124 1.00 10.00 C ATOM 1054 CG GLU A 84 8.779 -10.171 5.550 1.00 10.00 C ATOM 1055 CD GLU A 84 8.917 -10.252 4.044 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.216 -9.222 3.406 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.738 -11.360 3.493 1.00 10.00 O ATOM 0 H GLU A 84 9.478 -6.898 7.607 1.00 10.00 H new ATOM 0 HA GLU A 84 7.730 -7.456 5.416 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.938 -8.378 5.441 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.744 -9.012 7.064 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.369 -10.967 6.005 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.739 -10.349 5.823 1.00 10.00 H new ATOM 1064 N GLU A 85 5.951 -9.032 6.260 1.00 10.00 N ATOM 1065 CA GLU A 85 4.768 -9.730 6.774 1.00 10.00 C ATOM 1066 C GLU A 85 3.863 -8.773 7.540 1.00 10.00 C ATOM 1067 O GLU A 85 3.093 -9.184 8.409 1.00 10.00 O ATOM 1068 CB GLU A 85 5.168 -10.912 7.669 1.00 10.00 C ATOM 1069 CG GLU A 85 5.669 -12.123 6.902 1.00 10.00 C ATOM 1070 CD GLU A 85 4.633 -12.674 5.949 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.883 -12.662 4.724 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.562 -13.111 6.413 1.00 10.00 O ATOM 0 H GLU A 85 5.976 -8.954 5.243 1.00 10.00 H new ATOM 0 HA GLU A 85 4.217 -10.119 5.918 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.945 -10.585 8.360 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.309 -11.206 8.272 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.564 -11.850 6.343 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.959 -12.901 7.608 1.00 10.00 H new ATOM 1079 N ASP A 86 3.957 -7.495 7.204 1.00 10.00 N ATOM 1080 CA ASP A 86 3.155 -6.474 7.855 1.00 10.00 C ATOM 1081 C ASP A 86 1.722 -6.516 7.348 1.00 10.00 C ATOM 1082 O ASP A 86 1.457 -7.005 6.247 1.00 10.00 O ATOM 1083 CB ASP A 86 3.752 -5.093 7.610 1.00 10.00 C ATOM 1084 CG ASP A 86 3.790 -4.254 8.867 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.017 -4.547 9.805 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.602 -3.303 8.926 1.00 10.00 O ATOM 0 H ASP A 86 4.584 -7.141 6.481 1.00 10.00 H new ATOM 0 HA ASP A 86 3.153 -6.673 8.927 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.763 -5.201 7.217 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.168 -4.577 6.849 1.00 10.00 H new ATOM 1091 N VAL A 87 0.808 -5.996 8.148 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.602 -5.984 7.795 1.00 10.00 C ATOM 1093 C VAL A 87 -1.114 -4.560 7.622 1.00 10.00 C ATOM 1094 O VAL A 87 -0.971 -3.725 8.516 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.454 -6.693 8.870 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.909 -6.787 8.436 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.897 -8.073 9.177 1.00 10.00 C ATOM 0 H VAL A 87 1.018 -5.574 9.052 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.696 -6.519 6.850 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.409 -6.096 9.781 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.488 -7.290 9.210 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.307 -5.785 8.279 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.976 -7.353 7.507 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.513 -8.553 9.937 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.902 -8.678 8.270 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.125 -7.979 9.545 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.698 -4.286 6.469 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.250 -2.974 6.188 1.00 10.00 C ATOM 1109 C ILE A 88 -3.681 -3.122 5.672 1.00 10.00 C ATOM 1110 O ILE A 88 -3.997 -4.077 4.953 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.376 -2.189 5.175 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.806 -0.720 5.121 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.445 -2.818 3.791 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.796 0.184 4.451 1.00 10.00 C ATOM 0 H ILE A 88 -1.802 -4.959 5.709 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.259 -2.399 7.114 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.341 -2.235 5.514 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.755 -0.647 4.589 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.982 -0.364 6.136 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.823 -2.248 3.101 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -1.084 -3.845 3.840 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.477 -2.812 3.440 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.169 1.208 4.450 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.147 0.142 4.995 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.637 -0.146 3.424 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.547 -2.203 6.065 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.943 -2.251 5.659 1.00 10.00 C ATOM 1128 C GLU A 89 -6.245 -1.178 4.624 1.00 10.00 C ATOM 1129 O GLU A 89 -5.614 -0.121 4.608 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.850 -2.071 6.877 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.530 -3.024 8.018 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.441 -2.832 9.211 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -7.430 -1.734 9.807 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.180 -3.777 9.559 1.00 10.00 O ATOM 0 H GLU A 89 -4.308 -1.414 6.665 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.134 -3.225 5.209 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.764 -1.045 7.236 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.887 -2.216 6.573 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.614 -4.051 7.663 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.495 -2.878 8.329 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.208 -1.459 3.760 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.606 -0.523 2.720 1.00 10.00 C ATOM 1143 C VAL A 90 -9.128 -0.488 2.592 1.00 10.00 C ATOM 1144 O VAL A 90 -9.781 -1.533 2.499 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.956 -0.879 1.359 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.244 -2.324 0.971 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.418 0.073 0.266 1.00 10.00 C ATOM 0 H VAL A 90 -7.732 -2.334 3.759 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.253 0.467 3.008 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.877 -0.769 1.471 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.775 -2.544 0.012 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.842 -2.992 1.733 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.321 -2.471 0.890 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.946 -0.200 -0.678 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.501 0.009 0.162 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.138 1.093 0.530 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.692 0.712 2.617 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.139 0.884 2.516 1.00 10.00 C ATOM 1159 C TYR A 91 -11.483 2.002 1.540 1.00 10.00 C ATOM 1160 O TYR A 91 -10.626 2.816 1.195 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.743 1.193 3.888 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.508 0.110 4.915 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.239 -1.071 4.884 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.558 0.271 5.913 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.025 -2.062 5.820 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.338 -0.717 6.852 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.075 -1.880 6.801 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.863 -2.867 7.737 1.00 10.00 O ATOM 0 H TYR A 91 -9.170 1.584 2.706 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.562 -0.050 2.145 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.323 2.128 4.257 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.816 1.348 3.776 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.985 -1.215 4.117 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.982 1.183 5.956 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.599 -2.976 5.784 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.593 -0.579 7.622 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.160 -2.584 8.358 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.737 2.037 1.107 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.199 3.049 0.169 1.00 10.00 C ATOM 1180 C GLN A 92 -13.376 4.395 0.865 1.00 10.00 C ATOM 1181 O GLN A 92 -13.923 4.470 1.964 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.518 2.615 -0.475 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.924 3.468 -1.664 1.00 10.00 C ATOM 1184 CD GLN A 92 -16.262 3.057 -2.243 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.334 2.183 -3.106 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.330 3.688 -1.776 1.00 10.00 N ATOM 0 H GLN A 92 -13.455 1.371 1.393 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.444 3.160 -0.609 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.432 1.577 -0.796 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.308 2.652 0.275 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.970 4.513 -1.358 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -14.159 3.395 -2.437 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.225 4.407 -1.060 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -18.257 3.455 -2.133 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.902 5.449 0.218 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.002 6.796 0.760 1.00 10.00 C ATOM 1197 C GLU A 93 -14.427 7.323 0.646 1.00 10.00 C ATOM 1198 O GLU A 93 -15.248 6.776 -0.096 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.045 7.736 0.025 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.593 7.568 0.436 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.324 8.093 1.829 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -10.877 7.529 2.797 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.563 9.074 1.961 1.00 10.00 O ATOM 0 H GLU A 93 -12.441 5.396 -0.690 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.728 6.756 1.814 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.132 7.564 -1.048 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.349 8.767 0.208 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.325 6.512 0.390 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.954 8.090 -0.276 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.714 8.392 1.377 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.034 9.001 1.356 1.00 10.00 C ATOM 1212 C GLN A 94 -16.231 9.762 0.051 1.00 10.00 C ATOM 1213 O GLN A 94 -17.353 9.923 -0.422 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.208 9.933 2.557 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.643 10.382 2.786 1.00 10.00 C ATOM 1216 CD GLN A 94 -17.964 10.562 4.258 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.079 10.816 5.075 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.234 10.431 4.605 1.00 10.00 N ATOM 0 H GLN A 94 -14.047 8.855 1.993 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.789 8.218 1.421 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -15.849 9.426 3.453 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.581 10.813 2.415 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -17.815 11.322 2.262 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.324 9.648 2.355 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.937 10.220 3.897 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.510 10.541 5.581 1.00 10.00 H new ATOM 1227 N THR A 95 -15.126 10.217 -0.528 1.00 10.00 N ATOM 1228 CA THR A 95 -15.160 10.942 -1.786 1.00 10.00 C ATOM 1229 C THR A 95 -15.361 9.980 -2.954 1.00 10.00 C ATOM 1230 O THR A 95 -16.124 10.254 -3.883 1.00 10.00 O ATOM 1231 CB THR A 95 -13.850 11.720 -1.989 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.841 11.198 -1.111 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.047 13.203 -1.724 1.00 10.00 C ATOM 0 H THR A 95 -14.191 10.094 -0.140 1.00 10.00 H new ATOM 0 HA THR A 95 -15.995 11.642 -1.751 1.00 10.00 H new ATOM 0 HB THR A 95 -13.535 11.600 -3.025 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.005 11.693 -1.242 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.104 13.728 -1.875 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.797 13.599 -2.409 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.382 13.348 -0.697 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.675 8.843 -2.892 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.783 7.852 -3.943 1.00 10.00 C ATOM 1243 C GLY A 96 -13.796 8.097 -5.068 1.00 10.00 C ATOM 1244 O GLY A 96 -13.806 7.395 -6.077 1.00 10.00 O ATOM 0 H GLY A 96 -14.045 8.591 -2.130 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.613 6.860 -3.523 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.797 7.859 -4.344 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.935 9.086 -4.888 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.951 9.407 -5.903 1.00 10.00 C ATOM 1250 C GLY A 97 -11.306 10.751 -5.654 1.00 10.00 C ATOM 1251 O GLY A 97 -11.595 11.400 -4.645 1.00 10.00 O ATOM 0 H GLY A 97 -12.899 9.674 -4.056 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.183 8.633 -5.923 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.427 9.408 -6.883 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -7.797 -20.028 -4.683 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.994 -18.927 -3.745 1.00 10.00 C ATOM 1258 C ASP B 195 -7.551 -17.626 -4.394 1.00 10.00 C ATOM 1259 O ASP B 195 -7.391 -17.576 -5.618 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.209 -19.168 -2.456 1.00 10.00 C ATOM 1261 CG ASP B 195 -7.919 -18.585 -1.252 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.418 -19.370 -0.415 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -7.994 -17.344 -1.142 1.00 10.00 O ATOM 0 HA ASP B 195 -9.052 -18.864 -3.490 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.066 -20.239 -2.311 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.218 -18.723 -2.545 1.00 10.00 H new ATOM 1268 N THR B 196 -7.325 -16.579 -3.607 1.00 10.00 N ATOM 1269 CA THR B 196 -6.895 -15.331 -4.190 1.00 10.00 C ATOM 1270 C THR B 196 -5.517 -14.918 -3.696 1.00 10.00 C ATOM 1271 O THR B 196 -5.311 -14.612 -2.523 1.00 10.00 O ATOM 1272 CB THR B 196 -7.890 -14.210 -3.852 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.212 -14.756 -3.652 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.922 -13.180 -4.968 1.00 10.00 C ATOM 0 H THR B 196 -7.431 -16.575 -2.593 1.00 10.00 H new ATOM 0 HA THR B 196 -6.850 -15.486 -5.268 1.00 10.00 H new ATOM 0 HB THR B 196 -7.564 -13.726 -2.932 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.836 -14.032 -3.436 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.631 -12.392 -4.715 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.929 -12.748 -5.093 1.00 10.00 H new ATOM 0 HG23 THR B 196 -8.229 -13.660 -5.897 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.583 -14.871 -4.626 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.230 -14.442 -4.343 1.00 10.00 C ATOM 1284 C ALA B 197 -2.804 -13.391 -5.344 1.00 10.00 C ATOM 1285 O ALA B 197 -2.885 -13.626 -6.553 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.270 -15.619 -4.388 1.00 10.00 C ATOM 0 H ALA B 197 -4.743 -15.130 -5.600 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.206 -14.016 -3.340 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.259 -15.273 -4.172 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.566 -16.359 -3.645 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -2.295 -16.071 -5.380 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.379 -12.243 -4.875 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.917 -11.236 -5.791 1.00 10.00 C ATOM 1294 C GLY B 198 -0.539 -10.745 -5.433 1.00 10.00 C ATOM 1295 O GLY B 198 -0.328 -10.313 -4.313 1.00 10.00 O ATOM 0 H GLY B 198 -2.344 -11.989 -3.888 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.907 -11.642 -6.803 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.613 -10.397 -5.791 1.00 10.00 H new ATOM 1299 N CYS B 199 0.394 -10.785 -6.364 1.00 10.00 N ATOM 1300 CA CYS B 199 1.729 -10.286 -6.077 1.00 10.00 C ATOM 1301 C CYS B 199 2.041 -9.149 -7.050 1.00 10.00 C ATOM 1302 O CYS B 199 1.987 -9.325 -8.269 1.00 10.00 O ATOM 1303 CB CYS B 199 2.745 -11.434 -6.199 1.00 10.00 C ATOM 1304 SG CYS B 199 2.298 -12.905 -5.247 1.00 10.00 S ATOM 0 H CYS B 199 0.260 -11.149 -7.307 1.00 10.00 H new ATOM 0 HA CYS B 199 1.789 -9.900 -5.059 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.845 -11.708 -7.249 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.721 -11.080 -5.867 1.00 10.00 H new ATOM 0 HG CYS B 199 1.672 -12.548 -4.165 1.00 10.00 H new ATOM 1310 N ILE B 200 2.308 -7.974 -6.499 1.00 10.00 N ATOM 1311 CA ILE B 200 2.614 -6.793 -7.298 1.00 10.00 C ATOM 1312 C ILE B 200 3.873 -6.086 -6.799 1.00 10.00 C ATOM 1313 O ILE B 200 4.041 -5.897 -5.593 1.00 10.00 O ATOM 1314 CB ILE B 200 1.407 -5.817 -7.330 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.792 -4.470 -7.952 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.839 -5.619 -5.931 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.646 -3.478 -7.990 1.00 10.00 C ATOM 0 H ILE B 200 2.319 -7.811 -5.492 1.00 10.00 H new ATOM 0 HA ILE B 200 2.809 -7.129 -8.317 1.00 10.00 H new ATOM 0 HB ILE B 200 0.636 -6.264 -7.957 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.618 -4.039 -7.386 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.153 -4.636 -8.967 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.006 -4.932 -5.975 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.506 -6.578 -5.534 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.610 -5.205 -5.281 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.986 -2.546 -8.442 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.172 -3.890 -8.580 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.299 -3.284 -6.975 1.00 10.00 H new ATOM 1329 N VAL B 201 4.778 -5.733 -7.701 1.00 10.00 N ATOM 1330 CA VAL B 201 5.971 -5.000 -7.309 1.00 10.00 C ATOM 1331 C VAL B 201 5.991 -3.658 -8.039 1.00 10.00 C ATOM 1332 O VAL B 201 5.876 -3.598 -9.266 1.00 10.00 O ATOM 1333 CB VAL B 201 7.272 -5.803 -7.580 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.307 -6.338 -9.006 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.508 -4.957 -7.302 1.00 10.00 C ATOM 0 H VAL B 201 4.710 -5.940 -8.698 1.00 10.00 H new ATOM 0 HA VAL B 201 5.935 -4.833 -6.232 1.00 10.00 H new ATOM 0 HB VAL B 201 7.276 -6.653 -6.898 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.231 -6.895 -9.163 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.454 -6.997 -9.169 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.262 -5.506 -9.708 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.404 -5.545 -7.500 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.500 -4.079 -7.947 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.505 -4.641 -6.259 1.00 10.00 H new ATOM 1345 N ILE B 202 6.107 -2.579 -7.274 1.00 10.00 N ATOM 1346 CA ILE B 202 6.131 -1.232 -7.815 1.00 10.00 C ATOM 1347 C ILE B 202 7.400 -0.523 -7.373 1.00 10.00 C ATOM 1348 O ILE B 202 7.843 -0.698 -6.240 1.00 10.00 O ATOM 1349 CB ILE B 202 4.866 -0.426 -7.459 1.00 10.00 C ATOM 1350 CG1 ILE B 202 4.749 -0.115 -5.969 1.00 10.00 C ATOM 1351 CG2 ILE B 202 3.633 -1.180 -7.908 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.424 1.166 -5.549 1.00 10.00 C ATOM 0 H ILE B 202 6.187 -2.617 -6.258 1.00 10.00 H new ATOM 0 HA ILE B 202 6.133 -1.307 -8.902 1.00 10.00 H new ATOM 0 HB ILE B 202 4.949 0.527 -7.982 1.00 10.00 H new ATOM 0 HG12 ILE B 202 3.693 -0.060 -5.703 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.178 -0.941 -5.402 1.00 10.00 H new ATOM 0 HG21 ILE B 202 2.742 -0.605 -7.654 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.672 -1.331 -8.987 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.596 -2.148 -7.407 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.293 1.312 -4.477 1.00 10.00 H new ATOM 0 HD12 ILE B 202 6.488 1.110 -5.781 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.980 2.004 -6.086 1.00 10.00 H new HETATM 1364 N SEP B 203 8.011 0.231 -8.265 1.00 10.00 N HETATM 1365 CA SEP B 203 9.269 0.875 -7.940 1.00 10.00 C HETATM 1366 CB SEP B 203 10.317 0.369 -8.896 1.00 10.00 C HETATM 1367 OG SEP B 203 11.557 1.023 -8.684 1.00 10.00 O HETATM 1368 C SEP B 203 9.262 2.394 -8.018 1.00 10.00 C HETATM 1369 O SEP B 203 8.808 2.992 -9.002 1.00 10.00 O HETATM 1370 P SEP B 203 12.551 0.499 -7.549 1.00 10.00 P HETATM 1371 O1P SEP B 203 13.967 0.715 -7.869 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.263 -0.866 -7.087 1.00 10.00 O HETATM 1373 O3P SEP B 203 12.276 1.422 -6.268 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.442 -0.706 -8.768 1.00 10.00 H new HETATM 0 HB2 SEP B 203 9.987 0.531 -9.922 1.00 10.00 H new HETATM 0 HA SEP B 203 9.471 0.625 -6.898 1.00 10.00 H new ATOM 1378 N ASP B 204 9.740 3.006 -6.938 1.00 10.00 N ATOM 1379 CA ASP B 204 9.918 4.444 -6.872 1.00 10.00 C ATOM 1380 C ASP B 204 11.321 4.717 -6.394 1.00 10.00 C ATOM 1381 O ASP B 204 11.674 4.407 -5.262 1.00 10.00 O ATOM 1382 CB ASP B 204 8.952 5.112 -5.901 1.00 10.00 C ATOM 1383 CG ASP B 204 8.464 6.451 -6.424 1.00 10.00 C ATOM 1384 OD1 ASP B 204 8.960 6.894 -7.485 1.00 10.00 O ATOM 1385 OD2 ASP B 204 7.554 7.041 -5.809 1.00 10.00 O ATOM 0 H ASP B 204 10.013 2.515 -6.087 1.00 10.00 H new ATOM 0 HA ASP B 204 9.728 4.850 -7.865 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.099 4.456 -5.728 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.444 5.255 -4.939 1.00 10.00 H new HETATM 1390 N SEP B 205 12.101 5.321 -7.226 1.00 10.00 N HETATM 1391 CA SEP B 205 13.460 5.656 -6.846 1.00 10.00 C HETATM 1392 CB SEP B 205 14.454 4.717 -7.526 1.00 10.00 C HETATM 1393 OG SEP B 205 15.551 4.443 -6.669 1.00 10.00 O HETATM 1394 C SEP B 205 13.750 7.130 -7.103 1.00 10.00 C HETATM 1395 O SEP B 205 13.384 7.659 -8.156 1.00 10.00 O HETATM 1396 P SEP B 205 17.004 4.205 -7.279 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.818 5.524 -6.891 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.033 4.177 -8.748 1.00 10.00 O HETATM 1399 O3P SEP B 205 17.759 3.107 -6.641 1.00 10.00 O HETATM 0 HB3 SEP B 205 13.956 3.786 -7.797 1.00 10.00 H new HETATM 0 HB2 SEP B 205 14.813 5.167 -8.452 1.00 10.00 H new HETATM 0 HA SEP B 205 13.577 5.507 -5.773 1.00 10.00 H new ATOM 1404 N GLU B 206 14.337 7.806 -6.128 1.00 10.00 N ATOM 1405 CA GLU B 206 14.647 9.225 -6.290 1.00 10.00 C ATOM 1406 C GLU B 206 15.554 9.452 -7.500 1.00 10.00 C ATOM 1407 O GLU B 206 15.078 9.840 -8.573 1.00 10.00 O ATOM 1408 CB GLU B 206 15.321 9.792 -5.046 1.00 10.00 C ATOM 1409 CG GLU B 206 15.117 11.291 -4.891 1.00 10.00 C ATOM 1410 CD GLU B 206 13.702 11.654 -4.500 1.00 10.00 C ATOM 1411 OE1 GLU B 206 13.044 12.418 -5.235 1.00 10.00 O ATOM 1412 OE2 GLU B 206 13.247 11.193 -3.435 1.00 10.00 O ATOM 0 H GLU B 206 14.606 7.407 -5.229 1.00 10.00 H new ATOM 0 HA GLU B 206 13.701 9.743 -6.446 1.00 10.00 H new ATOM 0 HB2 GLU B 206 14.930 9.285 -4.164 1.00 10.00 H new ATOM 0 HB3 GLU B 206 16.389 9.579 -5.089 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.806 11.670 -4.136 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.368 11.786 -5.829 1.00 10.00 H new TER 1419 GLU B 206