USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0249 (180deg=-0.334) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.246 (180deg=-0.32) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 3.2 (180deg=2.14!) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0.119 (180deg=-0.000763) USER MOD Single : A 16 SER OG : rot -49:sc= 0.0899 USER MOD Single : A 19 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.82!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -139:sc= -6.38! (180deg=-11.9!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.0659 (180deg=-0.532) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 0.0105 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.301 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -146:sc= -0.274 (180deg=-1.41!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -100:sc= 0.0887 USER MOD Single : A 54 THR OG1 : rot 38:sc= -3.21! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 5:sc= -2.39 USER MOD Single : A 59 CYS SG : rot -38:sc= -15.8! USER MOD Single : A 60 GLN : amide:sc= -6.33! C(o=-6.3!,f=-4.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 0.377 (180deg=-2.71!) USER MOD Single : A 72 THR OG1 : rot -75:sc= 1.16 USER MOD Single : A 73 THR OG1 : rot 161:sc= -1.94! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 79 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-0.82) USER MOD Single : A 82 GLN : amide:sc= -2.27! C(o=-2.3!,f=-9.6!) USER MOD Single : A 97 ASN : amide:sc= -2.21 K(o=-2.2,f=-0.38) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-2.4!) USER MOD Single : A 110 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.24) USER MOD Single : A 111 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.21) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.791 4.293 7.883 1.00 0.00 N ATOM 2 CA MET A 1 -12.956 4.459 6.968 1.00 0.00 C ATOM 3 C MET A 1 -13.745 5.705 7.374 1.00 0.00 C ATOM 4 O MET A 1 -14.703 5.629 8.119 1.00 0.00 O ATOM 5 CB MET A 1 -13.859 3.228 7.065 1.00 0.00 C ATOM 6 CG MET A 1 -14.592 3.028 5.737 1.00 0.00 C ATOM 7 SD MET A 1 -16.282 2.464 6.058 1.00 0.00 S ATOM 8 CE MET A 1 -16.822 2.377 4.332 1.00 0.00 C ATOM 0 H1 MET A 1 -11.332 3.378 7.698 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.110 5.062 7.721 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.118 4.323 8.870 1.00 0.00 H new ATOM 0 HA MET A 1 -12.603 4.569 5.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.265 2.345 7.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.578 3.354 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.610 3.962 5.175 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.064 2.297 5.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.904 2.253 4.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.544 3.297 3.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.343 1.529 3.843 1.00 0.00 H new ATOM 20 N GLU A 2 -13.352 6.851 6.891 1.00 0.00 N ATOM 21 CA GLU A 2 -14.081 8.099 7.253 1.00 0.00 C ATOM 22 C GLU A 2 -13.256 9.321 6.829 1.00 0.00 C ATOM 23 O GLU A 2 -13.701 10.111 6.020 1.00 0.00 O ATOM 24 CB GLU A 2 -14.314 8.135 8.765 1.00 0.00 C ATOM 25 CG GLU A 2 -15.775 7.790 9.065 1.00 0.00 C ATOM 26 CD GLU A 2 -16.555 9.072 9.354 1.00 0.00 C ATOM 27 OE1 GLU A 2 -15.982 9.969 9.951 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.712 9.137 8.974 1.00 0.00 O ATOM 0 H GLU A 2 -12.559 6.977 6.262 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.042 8.118 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.652 7.426 9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.075 9.124 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.217 7.267 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.832 7.117 9.920 1.00 0.00 H new ATOM 35 N PRO A 3 -12.077 9.444 7.390 1.00 0.00 N ATOM 36 CA PRO A 3 -11.192 10.558 7.081 1.00 0.00 C ATOM 37 C PRO A 3 -10.608 10.406 5.672 1.00 0.00 C ATOM 38 O PRO A 3 -11.136 9.691 4.845 1.00 0.00 O ATOM 39 CB PRO A 3 -10.092 10.474 8.135 1.00 0.00 C ATOM 40 CG PRO A 3 -10.086 8.966 8.536 1.00 0.00 C ATOM 41 CD PRO A 3 -11.552 8.479 8.370 1.00 0.00 C ATOM 0 HA PRO A 3 -11.708 11.518 7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.128 10.787 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.305 11.116 8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.410 8.395 7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.744 8.836 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.604 7.454 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.103 8.510 9.310 1.00 0.00 H new ATOM 49 N LYS A 4 -9.521 11.075 5.396 1.00 0.00 N ATOM 50 CA LYS A 4 -8.900 10.972 4.047 1.00 0.00 C ATOM 51 C LYS A 4 -7.827 9.884 4.068 1.00 0.00 C ATOM 52 O LYS A 4 -6.685 10.132 4.394 1.00 0.00 O ATOM 53 CB LYS A 4 -8.264 12.315 3.676 1.00 0.00 C ATOM 54 CG LYS A 4 -9.188 13.452 4.113 1.00 0.00 C ATOM 55 CD LYS A 4 -8.875 14.710 3.300 1.00 0.00 C ATOM 56 CE LYS A 4 -10.049 15.021 2.370 1.00 0.00 C ATOM 57 NZ LYS A 4 -9.988 16.450 1.953 1.00 0.00 N ATOM 0 H LYS A 4 -9.036 11.690 6.050 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.662 10.717 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.292 12.415 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.092 12.364 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.229 13.164 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.057 13.652 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.693 15.552 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.965 14.563 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.014 14.374 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.992 14.819 2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.786 16.661 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.041 17.060 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.094 16.628 1.453 1.00 0.00 H new ATOM 71 N ARG A 5 -8.200 8.679 3.728 1.00 0.00 N ATOM 72 CA ARG A 5 -7.223 7.546 3.724 1.00 0.00 C ATOM 73 C ARG A 5 -7.102 6.973 5.137 1.00 0.00 C ATOM 74 O ARG A 5 -6.847 7.685 6.087 1.00 0.00 O ATOM 75 CB ARG A 5 -5.848 8.029 3.248 1.00 0.00 C ATOM 76 CG ARG A 5 -6.014 8.963 2.047 1.00 0.00 C ATOM 77 CD ARG A 5 -5.161 10.218 2.251 1.00 0.00 C ATOM 78 NE ARG A 5 -5.929 11.417 1.809 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.438 12.611 1.997 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.988 12.953 3.173 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.398 13.464 1.010 1.00 0.00 N ATOM 0 H ARG A 5 -9.148 8.427 3.450 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.580 6.774 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.335 8.549 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.227 7.176 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.714 8.452 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.062 9.238 1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.885 10.316 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.234 10.137 1.684 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.838 11.304 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.020 12.287 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.604 13.886 3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.751 13.197 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.014 14.397 1.158 1.00 0.00 H new ATOM 95 N ILE A 6 -7.288 5.689 5.280 1.00 0.00 N ATOM 96 CA ILE A 6 -7.189 5.068 6.631 1.00 0.00 C ATOM 97 C ILE A 6 -5.764 5.218 7.164 1.00 0.00 C ATOM 98 O ILE A 6 -5.548 5.719 8.250 1.00 0.00 O ATOM 99 CB ILE A 6 -7.544 3.584 6.535 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.944 3.433 5.934 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.521 2.963 7.933 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.362 1.961 5.970 1.00 0.00 C ATOM 0 H ILE A 6 -7.504 5.044 4.520 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.881 5.566 7.310 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.818 3.077 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.658 4.038 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.951 3.799 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.774 1.905 7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.525 3.071 8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.247 3.470 8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.359 1.855 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.654 1.367 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.371 1.611 7.002 1.00 0.00 H new ATOM 114 N ARG A 7 -4.786 4.787 6.414 1.00 0.00 N ATOM 115 CA ARG A 7 -3.380 4.908 6.891 1.00 0.00 C ATOM 116 C ARG A 7 -2.614 5.889 6.005 1.00 0.00 C ATOM 117 O ARG A 7 -2.861 5.993 4.819 1.00 0.00 O ATOM 118 CB ARG A 7 -2.698 3.543 6.834 1.00 0.00 C ATOM 119 CG ARG A 7 -1.494 3.542 7.771 1.00 0.00 C ATOM 120 CD ARG A 7 -1.910 2.967 9.120 1.00 0.00 C ATOM 121 NE ARG A 7 -2.442 4.058 9.984 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.779 4.432 11.043 1.00 0.00 C ATOM 123 NH1 ARG A 7 -0.475 4.385 11.047 1.00 0.00 N ATOM 124 NH2 ARG A 7 -2.421 4.855 12.098 1.00 0.00 N ATOM 0 H ARG A 7 -4.900 4.358 5.496 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.385 5.273 7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.400 2.761 7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.380 3.325 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.685 2.949 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.114 4.556 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.669 2.197 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.057 2.490 9.602 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.324 4.512 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.026 4.056 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.043 4.678 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.440 4.893 12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.903 5.148 12.927 1.00 0.00 H new ATOM 138 N GLU A 8 -1.681 6.605 6.567 1.00 0.00 N ATOM 139 CA GLU A 8 -0.897 7.570 5.750 1.00 0.00 C ATOM 140 C GLU A 8 0.363 7.982 6.505 1.00 0.00 C ATOM 141 O GLU A 8 0.312 8.434 7.632 1.00 0.00 O ATOM 142 CB GLU A 8 -1.740 8.809 5.459 1.00 0.00 C ATOM 143 CG GLU A 8 -2.511 9.215 6.717 1.00 0.00 C ATOM 144 CD GLU A 8 -3.779 8.367 6.838 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.248 7.888 5.817 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.260 8.211 7.948 1.00 0.00 O ATOM 0 H GLU A 8 -1.428 6.564 7.554 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.618 7.093 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.099 9.628 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.435 8.605 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.885 9.079 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.772 10.272 6.671 1.00 0.00 H new ATOM 153 N GLY A 9 1.494 7.832 5.882 1.00 0.00 N ATOM 154 CA GLY A 9 2.771 8.213 6.538 1.00 0.00 C ATOM 155 C GLY A 9 3.840 8.408 5.465 1.00 0.00 C ATOM 156 O GLY A 9 3.564 8.868 4.376 1.00 0.00 O ATOM 0 H GLY A 9 1.589 7.458 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.641 9.131 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.079 7.439 7.241 1.00 0.00 H new ATOM 160 N TYR A 10 5.058 8.062 5.762 1.00 0.00 N ATOM 161 CA TYR A 10 6.145 8.229 4.756 1.00 0.00 C ATOM 162 C TYR A 10 7.017 6.969 4.714 1.00 0.00 C ATOM 163 O TYR A 10 7.967 6.837 5.460 1.00 0.00 O ATOM 164 CB TYR A 10 7.009 9.432 5.140 1.00 0.00 C ATOM 165 CG TYR A 10 7.254 9.418 6.629 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.221 9.758 7.513 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.515 9.063 7.128 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.449 9.742 8.896 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.742 9.048 8.510 1.00 0.00 C ATOM 170 CZ TYR A 10 7.710 9.386 9.394 1.00 0.00 C ATOM 171 OH TYR A 10 7.934 9.371 10.755 1.00 0.00 O ATOM 0 H TYR A 10 5.351 7.670 6.657 1.00 0.00 H new ATOM 0 HA TYR A 10 5.703 8.391 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.957 9.398 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.512 10.358 4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.250 10.032 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.311 8.801 6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.653 10.004 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.714 8.775 8.894 1.00 0.00 H new ATOM 0 HH TYR A 10 8.860 9.101 10.931 1.00 0.00 H new ATOM 181 N LEU A 11 6.703 6.041 3.848 1.00 0.00 N ATOM 182 CA LEU A 11 7.518 4.791 3.760 1.00 0.00 C ATOM 183 C LEU A 11 8.362 4.823 2.485 1.00 0.00 C ATOM 184 O LEU A 11 8.103 5.587 1.580 1.00 0.00 O ATOM 185 CB LEU A 11 6.587 3.572 3.727 1.00 0.00 C ATOM 186 CG LEU A 11 6.148 3.150 5.148 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.541 4.190 6.195 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.637 3.000 5.175 1.00 0.00 C ATOM 0 H LEU A 11 5.919 6.094 3.198 1.00 0.00 H new ATOM 0 HA LEU A 11 8.173 4.723 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.706 3.803 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.095 2.739 3.240 1.00 0.00 H new ATOM 0 HG LEU A 11 6.647 2.210 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.215 3.856 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.624 4.315 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.065 5.142 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.319 2.702 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.172 3.951 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.334 2.239 4.456 1.00 0.00 H new ATOM 200 N VAL A 12 9.374 4.001 2.407 1.00 0.00 N ATOM 201 CA VAL A 12 10.234 3.997 1.190 1.00 0.00 C ATOM 202 C VAL A 12 9.816 2.853 0.264 1.00 0.00 C ATOM 203 O VAL A 12 9.675 1.720 0.681 1.00 0.00 O ATOM 204 CB VAL A 12 11.697 3.820 1.605 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.809 2.671 2.606 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.547 3.506 0.372 1.00 0.00 C ATOM 0 H VAL A 12 9.641 3.334 3.131 1.00 0.00 H new ATOM 0 HA VAL A 12 10.118 4.942 0.660 1.00 0.00 H new ATOM 0 HB VAL A 12 12.054 4.741 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.851 2.546 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.207 2.896 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.449 1.751 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.588 3.380 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.189 2.587 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.470 4.327 -0.341 1.00 0.00 H new ATOM 216 N LYS A 13 9.616 3.145 -0.992 1.00 0.00 N ATOM 217 CA LYS A 13 9.206 2.082 -1.953 1.00 0.00 C ATOM 218 C LYS A 13 10.339 1.837 -2.950 1.00 0.00 C ATOM 219 O LYS A 13 10.926 2.763 -3.473 1.00 0.00 O ATOM 220 CB LYS A 13 7.956 2.536 -2.710 1.00 0.00 C ATOM 221 CG LYS A 13 6.929 1.403 -2.733 1.00 0.00 C ATOM 222 CD LYS A 13 5.522 1.991 -2.845 1.00 0.00 C ATOM 223 CE LYS A 13 4.498 0.857 -2.918 1.00 0.00 C ATOM 224 NZ LYS A 13 3.595 0.928 -1.736 1.00 0.00 N ATOM 0 H LYS A 13 9.719 4.076 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 13 8.990 1.162 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.529 3.417 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.219 2.822 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.125 0.738 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.013 0.804 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.314 2.628 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.449 2.619 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.918 0.935 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.007 -0.106 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.060 0.040 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.161 1.073 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.933 1.721 -1.852 1.00 0.00 H new ATOM 238 N LYS A 14 10.650 0.600 -3.223 1.00 0.00 N ATOM 239 CA LYS A 14 11.747 0.312 -4.192 1.00 0.00 C ATOM 240 C LYS A 14 11.345 0.824 -5.576 1.00 0.00 C ATOM 241 O LYS A 14 10.646 0.159 -6.315 1.00 0.00 O ATOM 242 CB LYS A 14 11.999 -1.196 -4.258 1.00 0.00 C ATOM 243 CG LYS A 14 13.406 -1.454 -4.801 1.00 0.00 C ATOM 244 CD LYS A 14 13.362 -2.595 -5.819 1.00 0.00 C ATOM 245 CE LYS A 14 14.313 -3.709 -5.380 1.00 0.00 C ATOM 246 NZ LYS A 14 14.414 -4.731 -6.460 1.00 0.00 N ATOM 0 H LYS A 14 10.196 -0.220 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 14 12.659 0.812 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.894 -1.637 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.257 -1.672 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.797 -0.551 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.081 -1.708 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.346 -2.982 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.646 -2.228 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.298 -3.296 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.951 -4.170 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.651 -5.654 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.504 -4.799 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.158 -4.454 -7.132 1.00 0.00 H new ATOM 260 N GLY A 15 11.778 2.003 -5.933 1.00 0.00 N ATOM 261 CA GLY A 15 11.419 2.558 -7.269 1.00 0.00 C ATOM 262 C GLY A 15 11.562 1.470 -8.333 1.00 0.00 C ATOM 263 O GLY A 15 12.145 0.430 -8.098 1.00 0.00 O ATOM 0 H GLY A 15 12.365 2.606 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.396 2.934 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.066 3.402 -7.509 1.00 0.00 H new ATOM 267 N SER A 16 11.035 1.700 -9.504 1.00 0.00 N ATOM 268 CA SER A 16 11.141 0.679 -10.583 1.00 0.00 C ATOM 269 C SER A 16 12.481 0.837 -11.308 1.00 0.00 C ATOM 270 O SER A 16 12.821 0.059 -12.176 1.00 0.00 O ATOM 271 CB SER A 16 9.998 0.871 -11.581 1.00 0.00 C ATOM 272 OG SER A 16 9.882 -0.291 -12.392 1.00 0.00 O ATOM 0 H SER A 16 10.535 2.552 -9.760 1.00 0.00 H new ATOM 0 HA SER A 16 11.080 -0.317 -10.146 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.063 1.053 -11.050 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.187 1.746 -12.204 1.00 0.00 H new ATOM 0 HG SER A 16 10.763 -0.532 -12.747 1.00 0.00 H new ATOM 278 N VAL A 17 13.242 1.837 -10.959 1.00 0.00 N ATOM 279 CA VAL A 17 14.557 2.040 -11.631 1.00 0.00 C ATOM 280 C VAL A 17 15.655 1.348 -10.820 1.00 0.00 C ATOM 281 O VAL A 17 15.947 1.724 -9.703 1.00 0.00 O ATOM 282 CB VAL A 17 14.855 3.538 -11.728 1.00 0.00 C ATOM 283 CG1 VAL A 17 14.601 4.203 -10.374 1.00 0.00 C ATOM 284 CG2 VAL A 17 16.319 3.741 -12.127 1.00 0.00 C ATOM 0 H VAL A 17 13.011 2.522 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 17 14.524 1.613 -12.633 1.00 0.00 H new ATOM 0 HB VAL A 17 14.205 3.987 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.814 5.269 -10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.559 4.060 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.249 3.754 -9.621 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.533 4.808 -12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.967 3.289 -11.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.501 3.271 -13.093 1.00 0.00 H new ATOM 294 N PHE A 18 16.267 0.339 -11.377 1.00 0.00 N ATOM 295 CA PHE A 18 17.347 -0.377 -10.639 1.00 0.00 C ATOM 296 C PHE A 18 16.833 -0.793 -9.259 1.00 0.00 C ATOM 297 O PHE A 18 15.737 -0.447 -8.862 1.00 0.00 O ATOM 298 CB PHE A 18 18.552 0.550 -10.472 1.00 0.00 C ATOM 299 CG PHE A 18 19.425 0.474 -11.703 1.00 0.00 C ATOM 300 CD1 PHE A 18 19.060 1.167 -12.866 1.00 0.00 C ATOM 301 CD2 PHE A 18 20.600 -0.289 -11.681 1.00 0.00 C ATOM 302 CE1 PHE A 18 19.873 1.097 -14.005 1.00 0.00 C ATOM 303 CE2 PHE A 18 21.411 -0.359 -12.821 1.00 0.00 C ATOM 304 CZ PHE A 18 21.048 0.334 -13.983 1.00 0.00 C ATOM 0 H PHE A 18 16.066 -0.021 -12.310 1.00 0.00 H new ATOM 0 HA PHE A 18 17.643 -1.263 -11.201 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.216 1.575 -10.315 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.124 0.263 -9.590 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.154 1.754 -12.884 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.880 -0.823 -10.785 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.594 1.632 -14.901 1.00 0.00 H new ATOM 0 HE2 PHE A 18 22.316 -0.947 -12.804 1.00 0.00 H new ATOM 0 HZ PHE A 18 21.674 0.280 -14.862 1.00 0.00 H new ATOM 314 N ASN A 19 17.619 -1.529 -8.520 1.00 0.00 N ATOM 315 CA ASN A 19 17.177 -1.961 -7.165 1.00 0.00 C ATOM 316 C ASN A 19 17.547 -0.882 -6.146 1.00 0.00 C ATOM 317 O ASN A 19 18.593 -0.928 -5.529 1.00 0.00 O ATOM 318 CB ASN A 19 17.870 -3.276 -6.796 1.00 0.00 C ATOM 319 CG ASN A 19 19.362 -3.177 -7.122 1.00 0.00 C ATOM 320 OD1 ASN A 19 20.125 -2.610 -6.366 1.00 0.00 O ATOM 321 ND2 ASN A 19 19.812 -3.710 -8.225 1.00 0.00 N ATOM 0 H ASN A 19 18.547 -1.849 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 19 16.097 -2.110 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.732 -3.487 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.421 -4.103 -7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.805 -3.650 -8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.171 -4.186 -8.860 1.00 0.00 H new ATOM 328 N THR A 20 16.700 0.095 -5.968 1.00 0.00 N ATOM 329 CA THR A 20 17.009 1.180 -4.995 1.00 0.00 C ATOM 330 C THR A 20 15.922 1.235 -3.919 1.00 0.00 C ATOM 331 O THR A 20 15.007 0.435 -3.903 1.00 0.00 O ATOM 332 CB THR A 20 17.064 2.521 -5.727 1.00 0.00 C ATOM 333 OG1 THR A 20 15.833 2.740 -6.403 1.00 0.00 O ATOM 334 CG2 THR A 20 18.210 2.505 -6.740 1.00 0.00 C ATOM 0 H THR A 20 15.808 0.188 -6.454 1.00 0.00 H new ATOM 0 HA THR A 20 17.972 0.978 -4.526 1.00 0.00 H new ATOM 0 HB THR A 20 17.231 3.322 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.866 3.600 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.248 3.462 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.153 2.337 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.046 1.705 -7.462 1.00 0.00 H new ATOM 342 N TRP A 21 16.018 2.175 -3.020 1.00 0.00 N ATOM 343 CA TRP A 21 14.997 2.291 -1.941 1.00 0.00 C ATOM 344 C TRP A 21 14.952 3.740 -1.450 1.00 0.00 C ATOM 345 O TRP A 21 15.843 4.196 -0.762 1.00 0.00 O ATOM 346 CB TRP A 21 15.379 1.366 -0.781 1.00 0.00 C ATOM 347 CG TRP A 21 14.932 -0.031 -1.080 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.623 -0.931 -1.821 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.712 -0.703 -0.656 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.900 -2.107 -1.883 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.716 -2.018 -1.179 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.610 -0.302 0.123 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.664 -2.902 -0.938 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.551 -1.190 0.369 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.578 -2.487 -0.160 1.00 0.00 C ATOM 0 H TRP A 21 16.763 2.871 -2.986 1.00 0.00 H new ATOM 0 HA TRP A 21 14.018 2.004 -2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.458 1.387 -0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.918 1.716 0.143 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.582 -0.758 -2.287 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.204 -2.940 -2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.579 0.696 0.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.688 -3.900 -1.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.711 -0.872 0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.761 -3.166 0.033 1.00 0.00 H new ATOM 366 N LYS A 22 13.928 4.472 -1.802 1.00 0.00 N ATOM 367 CA LYS A 22 13.847 5.893 -1.355 1.00 0.00 C ATOM 368 C LYS A 22 12.515 6.140 -0.627 1.00 0.00 C ATOM 369 O LYS A 22 11.470 5.745 -1.110 1.00 0.00 O ATOM 370 CB LYS A 22 13.931 6.814 -2.575 1.00 0.00 C ATOM 371 CG LYS A 22 14.933 6.241 -3.581 1.00 0.00 C ATOM 372 CD LYS A 22 15.551 7.381 -4.394 1.00 0.00 C ATOM 373 CE LYS A 22 17.055 7.448 -4.121 1.00 0.00 C ATOM 374 NZ LYS A 22 17.787 6.685 -5.172 1.00 0.00 N ATOM 0 H LYS A 22 13.149 4.150 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 22 14.673 6.101 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.949 6.911 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.239 7.814 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.714 5.689 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.434 5.536 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.371 7.222 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.080 8.328 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.388 8.486 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.275 7.034 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.809 6.731 -4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.477 5.692 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.586 7.099 -6.105 1.00 0.00 H new ATOM 388 N PRO A 23 12.587 6.791 0.512 1.00 0.00 N ATOM 389 CA PRO A 23 11.402 7.098 1.301 1.00 0.00 C ATOM 390 C PRO A 23 10.364 7.825 0.441 1.00 0.00 C ATOM 391 O PRO A 23 10.659 8.293 -0.641 1.00 0.00 O ATOM 392 CB PRO A 23 11.905 8.015 2.412 1.00 0.00 C ATOM 393 CG PRO A 23 13.421 7.665 2.521 1.00 0.00 C ATOM 394 CD PRO A 23 13.859 7.257 1.088 1.00 0.00 C ATOM 0 HA PRO A 23 10.919 6.201 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.753 9.065 2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.383 7.831 3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.996 8.519 2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.586 6.852 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.277 8.096 0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.616 6.473 1.098 1.00 0.00 H new ATOM 402 N MET A 24 9.152 7.922 0.914 1.00 0.00 N ATOM 403 CA MET A 24 8.096 8.616 0.133 1.00 0.00 C ATOM 404 C MET A 24 6.818 8.696 0.964 1.00 0.00 C ATOM 405 O MET A 24 6.696 8.062 1.990 1.00 0.00 O ATOM 406 CB MET A 24 7.817 7.832 -1.154 1.00 0.00 C ATOM 407 CG MET A 24 6.927 6.620 -0.862 1.00 0.00 C ATOM 408 SD MET A 24 5.306 6.867 -1.630 1.00 0.00 S ATOM 409 CE MET A 24 5.654 6.006 -3.182 1.00 0.00 C ATOM 0 H MET A 24 8.849 7.548 1.813 1.00 0.00 H new ATOM 0 HA MET A 24 8.431 9.623 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.331 8.480 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.757 7.502 -1.597 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.391 5.713 -1.249 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.816 6.487 0.214 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.222 6.564 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.732 5.927 -3.320 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.218 5.008 -3.150 1.00 0.00 H new ATOM 419 N TRP A 25 5.857 9.451 0.516 1.00 0.00 N ATOM 420 CA TRP A 25 4.581 9.548 1.269 1.00 0.00 C ATOM 421 C TRP A 25 3.632 8.489 0.741 1.00 0.00 C ATOM 422 O TRP A 25 3.645 8.155 -0.427 1.00 0.00 O ATOM 423 CB TRP A 25 3.971 10.930 1.073 1.00 0.00 C ATOM 424 CG TRP A 25 2.829 11.118 2.019 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.522 11.129 1.667 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.866 11.322 3.461 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.759 11.355 2.799 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.539 11.472 3.927 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.912 11.399 4.399 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.259 11.691 5.275 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.634 11.617 5.760 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.307 11.763 6.195 1.00 0.00 C ATOM 0 H TRP A 25 5.901 10.005 -0.339 1.00 0.00 H new ATOM 0 HA TRP A 25 4.761 9.393 2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.726 11.698 1.242 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.626 11.043 0.045 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.138 10.985 0.668 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.259 11.426 2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.935 11.290 4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.237 11.804 5.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.443 11.672 6.473 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.097 11.931 7.241 1.00 0.00 H new ATOM 443 N VAL A 26 2.826 7.930 1.589 1.00 0.00 N ATOM 444 CA VAL A 26 1.914 6.868 1.117 1.00 0.00 C ATOM 445 C VAL A 26 0.632 6.857 1.954 1.00 0.00 C ATOM 446 O VAL A 26 0.666 6.899 3.164 1.00 0.00 O ATOM 447 CB VAL A 26 2.659 5.532 1.216 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.570 5.535 2.445 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.667 4.368 1.303 1.00 0.00 C ATOM 0 H VAL A 26 2.760 8.161 2.580 1.00 0.00 H new ATOM 0 HA VAL A 26 1.618 7.046 0.083 1.00 0.00 H new ATOM 0 HB VAL A 26 3.265 5.404 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.097 4.583 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.294 6.345 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.969 5.679 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.214 3.428 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.040 4.489 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.040 4.357 0.412 1.00 0.00 H new ATOM 459 N VAL A 27 -0.501 6.807 1.305 1.00 0.00 N ATOM 460 CA VAL A 27 -1.790 6.798 2.051 1.00 0.00 C ATOM 461 C VAL A 27 -2.644 5.622 1.580 1.00 0.00 C ATOM 462 O VAL A 27 -3.247 5.667 0.525 1.00 0.00 O ATOM 463 CB VAL A 27 -2.544 8.102 1.782 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.869 9.252 2.530 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.527 8.401 0.282 1.00 0.00 C ATOM 0 H VAL A 27 -0.588 6.772 0.289 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.588 6.702 3.118 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.573 7.998 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.409 10.179 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.877 9.045 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.839 9.354 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.064 9.330 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.496 8.501 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.009 7.585 -0.257 1.00 0.00 H new ATOM 475 N LEU A 28 -2.710 4.570 2.346 1.00 0.00 N ATOM 476 CA LEU A 28 -3.542 3.413 1.914 1.00 0.00 C ATOM 477 C LEU A 28 -5.010 3.708 2.214 1.00 0.00 C ATOM 478 O LEU A 28 -5.377 4.027 3.328 1.00 0.00 O ATOM 479 CB LEU A 28 -3.107 2.137 2.643 1.00 0.00 C ATOM 480 CG LEU A 28 -3.635 2.135 4.079 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.067 1.595 4.096 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.748 1.230 4.938 1.00 0.00 C ATOM 0 H LEU A 28 -2.231 4.461 3.240 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.410 3.260 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.480 1.262 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.019 2.067 2.649 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.623 3.151 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.443 1.594 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.702 2.228 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.077 0.578 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.119 1.224 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.768 0.216 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.725 1.605 4.925 1.00 0.00 H new ATOM 494 N LEU A 29 -5.853 3.606 1.223 1.00 0.00 N ATOM 495 CA LEU A 29 -7.298 3.880 1.442 1.00 0.00 C ATOM 496 C LEU A 29 -8.086 2.577 1.278 1.00 0.00 C ATOM 497 O LEU A 29 -7.594 1.606 0.738 1.00 0.00 O ATOM 498 CB LEU A 29 -7.783 4.912 0.421 1.00 0.00 C ATOM 499 CG LEU A 29 -6.821 6.104 0.395 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.897 5.984 -0.818 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.625 7.403 0.297 1.00 0.00 C ATOM 0 H LEU A 29 -5.601 3.344 0.270 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.451 4.273 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.843 4.459 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.787 5.248 0.678 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.225 6.113 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.212 6.831 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.327 5.057 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.493 5.978 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.943 8.253 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.219 7.395 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.286 7.488 1.159 1.00 0.00 H new ATOM 513 N GLU A 30 -9.305 2.547 1.746 1.00 0.00 N ATOM 514 CA GLU A 30 -10.121 1.305 1.626 1.00 0.00 C ATOM 515 C GLU A 30 -10.579 1.124 0.179 1.00 0.00 C ATOM 516 O GLU A 30 -11.163 0.119 -0.175 1.00 0.00 O ATOM 517 CB GLU A 30 -11.345 1.410 2.539 1.00 0.00 C ATOM 518 CG GLU A 30 -12.145 2.662 2.179 1.00 0.00 C ATOM 519 CD GLU A 30 -13.586 2.505 2.668 1.00 0.00 C ATOM 520 OE1 GLU A 30 -13.926 1.419 3.109 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.325 3.472 2.594 1.00 0.00 O ATOM 0 H GLU A 30 -9.771 3.329 2.206 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.517 0.447 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.969 0.523 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.031 1.454 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.689 3.541 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.131 2.818 1.100 1.00 0.00 H new ATOM 528 N ASP A 31 -10.320 2.087 -0.661 1.00 0.00 N ATOM 529 CA ASP A 31 -10.738 1.961 -2.084 1.00 0.00 C ATOM 530 C ASP A 31 -9.494 1.890 -2.972 1.00 0.00 C ATOM 531 O ASP A 31 -9.587 1.783 -4.179 1.00 0.00 O ATOM 532 CB ASP A 31 -11.580 3.175 -2.481 1.00 0.00 C ATOM 533 CG ASP A 31 -12.891 2.701 -3.113 1.00 0.00 C ATOM 534 OD1 ASP A 31 -12.882 1.648 -3.730 1.00 0.00 O ATOM 535 OD2 ASP A 31 -13.881 3.399 -2.971 1.00 0.00 O ATOM 0 H ASP A 31 -9.838 2.954 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.330 1.055 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.787 3.790 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.029 3.799 -3.185 1.00 0.00 H new ATOM 540 N GLY A 32 -8.329 1.949 -2.386 1.00 0.00 N ATOM 541 CA GLY A 32 -7.082 1.885 -3.202 1.00 0.00 C ATOM 542 C GLY A 32 -5.936 2.546 -2.433 1.00 0.00 C ATOM 543 O GLY A 32 -6.136 3.476 -1.677 1.00 0.00 O ATOM 0 H GLY A 32 -8.186 2.039 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.834 0.848 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.233 2.390 -4.156 1.00 0.00 H new ATOM 547 N ILE A 33 -4.734 2.071 -2.620 1.00 0.00 N ATOM 548 CA ILE A 33 -3.574 2.671 -1.901 1.00 0.00 C ATOM 549 C ILE A 33 -2.849 3.643 -2.833 1.00 0.00 C ATOM 550 O ILE A 33 -2.187 3.244 -3.767 1.00 0.00 O ATOM 551 CB ILE A 33 -2.610 1.559 -1.478 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.409 0.320 -1.067 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.763 2.032 -0.295 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.488 0.717 -0.059 1.00 0.00 C ATOM 0 H ILE A 33 -4.506 1.294 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.926 3.205 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.956 1.312 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.867 -0.137 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.745 -0.425 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.078 1.238 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.192 2.913 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.415 2.282 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.056 -0.166 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.019 1.154 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.159 1.446 -0.513 1.00 0.00 H new ATOM 566 N GLU A 34 -2.966 4.917 -2.589 1.00 0.00 N ATOM 567 CA GLU A 34 -2.279 5.904 -3.466 1.00 0.00 C ATOM 568 C GLU A 34 -1.152 6.573 -2.682 1.00 0.00 C ATOM 569 O GLU A 34 -1.388 7.307 -1.744 1.00 0.00 O ATOM 570 CB GLU A 34 -3.285 6.960 -3.932 1.00 0.00 C ATOM 571 CG GLU A 34 -3.802 7.745 -2.724 1.00 0.00 C ATOM 572 CD GLU A 34 -5.214 8.258 -3.018 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.705 7.994 -4.103 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.779 8.907 -2.153 1.00 0.00 O ATOM 0 H GLU A 34 -3.506 5.317 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.864 5.397 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.813 7.637 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.116 6.482 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.811 7.108 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.137 8.581 -2.508 1.00 0.00 H new ATOM 581 N PHE A 35 0.074 6.322 -3.052 1.00 0.00 N ATOM 582 CA PHE A 35 1.204 6.946 -2.313 1.00 0.00 C ATOM 583 C PHE A 35 1.964 7.906 -3.230 1.00 0.00 C ATOM 584 O PHE A 35 2.140 7.654 -4.405 1.00 0.00 O ATOM 585 CB PHE A 35 2.150 5.855 -1.796 1.00 0.00 C ATOM 586 CG PHE A 35 2.370 4.798 -2.852 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.082 5.113 -4.016 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.877 3.502 -2.661 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.305 4.132 -4.988 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.096 2.519 -3.637 1.00 0.00 C ATOM 591 CZ PHE A 35 2.812 2.836 -4.800 1.00 0.00 C ATOM 0 H PHE A 35 0.339 5.716 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 35 0.809 7.507 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.105 6.298 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.732 5.399 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.459 6.114 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.328 3.259 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.858 4.375 -5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.714 1.519 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.983 2.079 -5.551 1.00 0.00 H new ATOM 601 N TYR A 36 2.417 9.009 -2.698 1.00 0.00 N ATOM 602 CA TYR A 36 3.174 9.985 -3.530 1.00 0.00 C ATOM 603 C TYR A 36 4.508 10.282 -2.842 1.00 0.00 C ATOM 604 O TYR A 36 5.056 9.450 -2.148 1.00 0.00 O ATOM 605 CB TYR A 36 2.395 11.299 -3.678 1.00 0.00 C ATOM 606 CG TYR A 36 0.918 11.107 -3.401 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.218 10.030 -3.962 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.243 12.036 -2.598 1.00 0.00 C ATOM 609 CE1 TYR A 36 -1.153 9.883 -3.717 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.129 11.891 -2.358 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.827 10.815 -2.918 1.00 0.00 C ATOM 612 OH TYR A 36 -3.180 10.673 -2.681 1.00 0.00 O ATOM 0 H TYR A 36 2.295 9.276 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 36 3.330 9.556 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.801 12.042 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.529 11.690 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.736 9.314 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.782 12.865 -2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.691 9.050 -4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.648 12.609 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.490 11.404 -2.107 1.00 0.00 H new ATOM 622 N LYS A 37 5.027 11.469 -3.014 1.00 0.00 N ATOM 623 CA LYS A 37 6.313 11.822 -2.351 1.00 0.00 C ATOM 624 C LYS A 37 6.006 12.644 -1.098 1.00 0.00 C ATOM 625 O LYS A 37 6.411 12.302 -0.004 1.00 0.00 O ATOM 626 CB LYS A 37 7.177 12.643 -3.311 1.00 0.00 C ATOM 627 CG LYS A 37 8.455 11.868 -3.636 1.00 0.00 C ATOM 628 CD LYS A 37 8.674 11.856 -5.150 1.00 0.00 C ATOM 629 CE LYS A 37 10.137 11.527 -5.452 1.00 0.00 C ATOM 630 NZ LYS A 37 10.282 11.189 -6.897 1.00 0.00 N ATOM 0 H LYS A 37 4.615 12.207 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 37 6.854 10.916 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.624 12.853 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.426 13.604 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.308 12.328 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.379 10.847 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.021 11.119 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.414 12.826 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.771 12.377 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.467 10.690 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.277 10.965 -7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.688 10.366 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.983 12.000 -7.475 1.00 0.00 H new ATOM 644 N LYS A 38 5.273 13.717 -1.244 1.00 0.00 N ATOM 645 CA LYS A 38 4.919 14.543 -0.058 1.00 0.00 C ATOM 646 C LYS A 38 3.567 14.064 0.467 1.00 0.00 C ATOM 647 O LYS A 38 3.047 13.061 0.020 1.00 0.00 O ATOM 648 CB LYS A 38 4.822 16.017 -0.462 1.00 0.00 C ATOM 649 CG LYS A 38 5.943 16.807 0.217 1.00 0.00 C ATOM 650 CD LYS A 38 5.499 18.258 0.415 1.00 0.00 C ATOM 651 CE LYS A 38 6.380 19.181 -0.428 1.00 0.00 C ATOM 652 NZ LYS A 38 7.784 19.119 0.067 1.00 0.00 N ATOM 0 H LYS A 38 4.906 14.055 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 38 5.683 14.442 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.899 16.114 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.852 16.421 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.189 16.356 1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.847 16.772 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.454 18.372 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.571 18.531 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.339 18.883 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.009 20.204 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.249 20.036 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.784 18.901 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.301 18.377 -0.446 1.00 0.00 H new ATOM 666 N LYS A 39 2.978 14.759 1.400 1.00 0.00 N ATOM 667 CA LYS A 39 1.668 14.311 1.918 1.00 0.00 C ATOM 668 C LYS A 39 0.626 14.364 0.800 1.00 0.00 C ATOM 669 O LYS A 39 -0.471 13.862 0.933 1.00 0.00 O ATOM 670 CB LYS A 39 1.263 15.204 3.082 1.00 0.00 C ATOM 671 CG LYS A 39 2.025 14.752 4.324 1.00 0.00 C ATOM 672 CD LYS A 39 1.324 15.265 5.578 1.00 0.00 C ATOM 673 CE LYS A 39 -0.135 14.830 5.534 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.527 14.251 6.851 1.00 0.00 N ATOM 0 H LYS A 39 3.349 15.611 1.820 1.00 0.00 H new ATOM 0 HA LYS A 39 1.736 13.282 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.489 16.246 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.188 15.141 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.084 13.664 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.048 15.126 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.809 14.870 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.393 16.351 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.772 15.682 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.281 14.093 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.563 14.253 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.176 13.274 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.115 14.821 7.617 1.00 0.00 H new ATOM 688 N SER A 40 0.971 14.955 -0.313 1.00 0.00 N ATOM 689 CA SER A 40 0.014 15.024 -1.453 1.00 0.00 C ATOM 690 C SER A 40 0.794 15.109 -2.765 1.00 0.00 C ATOM 691 O SER A 40 0.563 14.353 -3.688 1.00 0.00 O ATOM 692 CB SER A 40 -0.872 16.263 -1.318 1.00 0.00 C ATOM 693 OG SER A 40 -0.981 16.618 0.055 1.00 0.00 O ATOM 0 H SER A 40 1.876 15.394 -0.481 1.00 0.00 H new ATOM 0 HA SER A 40 -0.611 14.131 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.448 17.091 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.860 16.064 -1.733 1.00 0.00 H new ATOM 0 HG SER A 40 -1.547 17.413 0.143 1.00 0.00 H new ATOM 699 N ASP A 41 1.714 16.034 -2.861 1.00 0.00 N ATOM 700 CA ASP A 41 2.504 16.181 -4.115 1.00 0.00 C ATOM 701 C ASP A 41 1.554 16.420 -5.292 1.00 0.00 C ATOM 702 O ASP A 41 1.950 16.380 -6.441 1.00 0.00 O ATOM 703 CB ASP A 41 3.313 14.904 -4.335 1.00 0.00 C ATOM 704 CG ASP A 41 3.894 14.889 -5.751 1.00 0.00 C ATOM 705 OD1 ASP A 41 4.267 15.948 -6.228 1.00 0.00 O ATOM 706 OD2 ASP A 41 3.958 13.818 -6.332 1.00 0.00 O ATOM 0 H ASP A 41 1.951 16.695 -2.121 1.00 0.00 H new ATOM 0 HA ASP A 41 3.182 17.031 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.118 14.843 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.678 14.031 -4.184 1.00 0.00 H new ATOM 711 N ASN A 42 0.302 16.676 -5.011 1.00 0.00 N ATOM 712 CA ASN A 42 -0.691 16.919 -6.091 1.00 0.00 C ATOM 713 C ASN A 42 -0.434 15.983 -7.280 1.00 0.00 C ATOM 714 O ASN A 42 -0.808 16.277 -8.397 1.00 0.00 O ATOM 715 CB ASN A 42 -0.593 18.372 -6.559 1.00 0.00 C ATOM 716 CG ASN A 42 -1.898 19.102 -6.236 1.00 0.00 C ATOM 717 OD1 ASN A 42 -2.806 19.131 -7.043 1.00 0.00 O ATOM 718 ND2 ASN A 42 -2.030 19.697 -5.083 1.00 0.00 N ATOM 0 H ASN A 42 -0.076 16.727 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.689 16.723 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.244 18.868 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.400 18.408 -7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.896 20.187 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.267 19.672 -4.406 1.00 0.00 H new ATOM 725 N SER A 43 0.200 14.860 -7.059 1.00 0.00 N ATOM 726 CA SER A 43 0.466 13.933 -8.196 1.00 0.00 C ATOM 727 C SER A 43 1.142 12.656 -7.685 1.00 0.00 C ATOM 728 O SER A 43 2.345 12.618 -7.521 1.00 0.00 O ATOM 729 CB SER A 43 1.383 14.625 -9.201 1.00 0.00 C ATOM 730 OG SER A 43 1.204 14.037 -10.484 1.00 0.00 O ATOM 0 H SER A 43 0.541 14.548 -6.150 1.00 0.00 H new ATOM 0 HA SER A 43 -0.477 13.669 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.158 15.691 -9.242 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.423 14.531 -8.887 1.00 0.00 H new ATOM 0 HG SER A 43 1.790 14.481 -11.132 1.00 0.00 H new ATOM 736 N PRO A 44 0.342 11.648 -7.446 1.00 0.00 N ATOM 737 CA PRO A 44 0.833 10.368 -6.953 1.00 0.00 C ATOM 738 C PRO A 44 1.937 9.812 -7.844 1.00 0.00 C ATOM 739 O PRO A 44 2.020 10.098 -9.023 1.00 0.00 O ATOM 740 CB PRO A 44 -0.385 9.451 -6.976 1.00 0.00 C ATOM 741 CG PRO A 44 -1.590 10.440 -6.905 1.00 0.00 C ATOM 742 CD PRO A 44 -1.115 11.722 -7.641 1.00 0.00 C ATOM 0 HA PRO A 44 1.269 10.461 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.415 8.847 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.383 8.760 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.474 10.017 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.860 10.657 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.389 11.715 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.542 12.626 -7.207 1.00 0.00 H new ATOM 750 N LYS A 45 2.784 9.010 -7.268 1.00 0.00 N ATOM 751 CA LYS A 45 3.899 8.401 -8.031 1.00 0.00 C ATOM 752 C LYS A 45 3.523 6.951 -8.367 1.00 0.00 C ATOM 753 O LYS A 45 4.051 6.358 -9.287 1.00 0.00 O ATOM 754 CB LYS A 45 5.170 8.463 -7.158 1.00 0.00 C ATOM 755 CG LYS A 45 5.998 7.187 -7.307 1.00 0.00 C ATOM 756 CD LYS A 45 7.479 7.512 -7.097 1.00 0.00 C ATOM 757 CE LYS A 45 8.095 6.494 -6.135 1.00 0.00 C ATOM 758 NZ LYS A 45 9.343 7.059 -5.545 1.00 0.00 N ATOM 0 H LYS A 45 2.748 8.748 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 45 4.087 8.935 -8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.771 9.326 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.892 8.601 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.672 6.442 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.846 6.756 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.005 7.491 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.588 8.519 -6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.385 6.249 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.317 5.567 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.762 6.367 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.021 7.272 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.118 7.932 -5.027 1.00 0.00 H new ATOM 772 N GLY A 46 2.613 6.382 -7.625 1.00 0.00 N ATOM 773 CA GLY A 46 2.196 4.976 -7.891 1.00 0.00 C ATOM 774 C GLY A 46 1.046 4.611 -6.952 1.00 0.00 C ATOM 775 O GLY A 46 1.029 4.995 -5.800 1.00 0.00 O ATOM 0 H GLY A 46 2.138 6.832 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.883 4.866 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.036 4.299 -7.738 1.00 0.00 H new ATOM 779 N MET A 47 0.078 3.878 -7.432 1.00 0.00 N ATOM 780 CA MET A 47 -1.066 3.504 -6.554 1.00 0.00 C ATOM 781 C MET A 47 -1.471 2.054 -6.819 1.00 0.00 C ATOM 782 O MET A 47 -1.636 1.638 -7.949 1.00 0.00 O ATOM 783 CB MET A 47 -2.255 4.423 -6.842 1.00 0.00 C ATOM 784 CG MET A 47 -1.767 5.868 -6.955 1.00 0.00 C ATOM 785 SD MET A 47 -2.997 6.853 -7.844 1.00 0.00 S ATOM 786 CE MET A 47 -2.051 7.072 -9.371 1.00 0.00 C ATOM 0 H MET A 47 0.030 3.524 -8.388 1.00 0.00 H new ATOM 0 HA MET A 47 -0.766 3.610 -5.512 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.746 4.121 -7.767 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.995 4.339 -6.046 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.600 6.285 -5.962 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.812 5.900 -7.479 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.269 8.051 -9.797 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.986 7.000 -9.152 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.328 6.296 -10.085 1.00 0.00 H new ATOM 796 N ILE A 48 -1.638 1.284 -5.780 1.00 0.00 N ATOM 797 CA ILE A 48 -2.040 -0.139 -5.956 1.00 0.00 C ATOM 798 C ILE A 48 -3.572 -0.224 -5.976 1.00 0.00 C ATOM 799 O ILE A 48 -4.225 0.302 -5.096 1.00 0.00 O ATOM 800 CB ILE A 48 -1.505 -0.959 -4.780 1.00 0.00 C ATOM 801 CG1 ILE A 48 0.021 -1.031 -4.861 1.00 0.00 C ATOM 802 CG2 ILE A 48 -2.086 -2.372 -4.830 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.601 -1.138 -3.449 1.00 0.00 C ATOM 0 H ILE A 48 -1.513 1.581 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.635 -0.528 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.798 -0.482 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.324 -1.892 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.412 -0.144 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.703 -2.953 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.173 -2.321 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.797 -2.851 -5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.688 -1.189 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.309 -0.263 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.220 -2.038 -2.966 1.00 0.00 H new ATOM 815 N PRO A 49 -4.107 -0.881 -6.977 1.00 0.00 N ATOM 816 CA PRO A 49 -5.549 -1.030 -7.113 1.00 0.00 C ATOM 817 C PRO A 49 -6.098 -1.941 -6.014 1.00 0.00 C ATOM 818 O PRO A 49 -5.581 -3.012 -5.764 1.00 0.00 O ATOM 819 CB PRO A 49 -5.743 -1.662 -8.488 1.00 0.00 C ATOM 820 CG PRO A 49 -4.385 -2.383 -8.752 1.00 0.00 C ATOM 821 CD PRO A 49 -3.310 -1.520 -8.037 1.00 0.00 C ATOM 0 HA PRO A 49 -6.076 -0.081 -7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.577 -2.363 -8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.953 -0.911 -9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.397 -3.399 -8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.181 -2.457 -9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.499 -2.126 -7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.858 -0.789 -8.707 1.00 0.00 H new ATOM 829 N LEU A 50 -7.146 -1.524 -5.355 1.00 0.00 N ATOM 830 CA LEU A 50 -7.732 -2.363 -4.274 1.00 0.00 C ATOM 831 C LEU A 50 -8.781 -3.305 -4.873 1.00 0.00 C ATOM 832 O LEU A 50 -9.746 -3.666 -4.229 1.00 0.00 O ATOM 833 CB LEU A 50 -8.393 -1.458 -3.230 1.00 0.00 C ATOM 834 CG LEU A 50 -7.811 -1.753 -1.845 1.00 0.00 C ATOM 835 CD1 LEU A 50 -6.496 -0.993 -1.664 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.801 -1.302 -0.771 1.00 0.00 C ATOM 0 H LEU A 50 -7.621 -0.637 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.946 -2.950 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.230 -0.411 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.471 -1.621 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.628 -2.824 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.086 -1.206 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.785 -1.308 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.679 0.078 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.388 -1.511 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.982 -0.232 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.741 -1.841 -0.893 1.00 0.00 H new ATOM 848 N LYS A 51 -8.601 -3.705 -6.105 1.00 0.00 N ATOM 849 CA LYS A 51 -9.586 -4.621 -6.745 1.00 0.00 C ATOM 850 C LYS A 51 -9.184 -6.072 -6.471 1.00 0.00 C ATOM 851 O LYS A 51 -10.020 -6.933 -6.282 1.00 0.00 O ATOM 852 CB LYS A 51 -9.604 -4.373 -8.256 1.00 0.00 C ATOM 853 CG LYS A 51 -10.458 -5.442 -8.938 1.00 0.00 C ATOM 854 CD LYS A 51 -11.246 -4.811 -10.088 1.00 0.00 C ATOM 855 CE LYS A 51 -10.965 -5.575 -11.383 1.00 0.00 C ATOM 856 NZ LYS A 51 -10.003 -4.800 -12.217 1.00 0.00 N ATOM 0 H LYS A 51 -7.813 -3.436 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.578 -4.435 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.005 -3.382 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.588 -4.397 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.823 -6.243 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.142 -5.890 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.313 -4.832 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.965 -3.764 -10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.555 -6.559 -11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.893 -5.735 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.811 -5.318 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.411 -3.871 -12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.115 -4.669 -11.692 1.00 0.00 H new ATOM 870 N GLY A 52 -7.908 -6.351 -6.449 1.00 0.00 N ATOM 871 CA GLY A 52 -7.454 -7.746 -6.187 1.00 0.00 C ATOM 872 C GLY A 52 -5.924 -7.794 -6.153 1.00 0.00 C ATOM 873 O GLY A 52 -5.282 -8.096 -7.139 1.00 0.00 O ATOM 0 H GLY A 52 -7.161 -5.673 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.859 -8.098 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.831 -8.413 -6.962 1.00 0.00 H new ATOM 877 N SER A 53 -5.335 -7.499 -5.026 1.00 0.00 N ATOM 878 CA SER A 53 -3.847 -7.529 -4.934 1.00 0.00 C ATOM 879 C SER A 53 -3.411 -8.674 -4.021 1.00 0.00 C ATOM 880 O SER A 53 -4.221 -9.438 -3.535 1.00 0.00 O ATOM 881 CB SER A 53 -3.341 -6.202 -4.367 1.00 0.00 C ATOM 882 OG SER A 53 -4.340 -5.206 -4.539 1.00 0.00 O ATOM 0 H SER A 53 -5.819 -7.239 -4.166 1.00 0.00 H new ATOM 0 HA SER A 53 -3.428 -7.681 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.100 -6.313 -3.310 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.423 -5.904 -4.873 1.00 0.00 H new ATOM 0 HG SER A 53 -4.119 -4.652 -5.317 1.00 0.00 H new ATOM 888 N THR A 54 -2.134 -8.807 -3.799 1.00 0.00 N ATOM 889 CA THR A 54 -1.642 -9.908 -2.937 1.00 0.00 C ATOM 890 C THR A 54 -0.584 -9.372 -1.969 1.00 0.00 C ATOM 891 O THR A 54 0.480 -8.955 -2.372 1.00 0.00 O ATOM 892 CB THR A 54 -1.026 -10.977 -3.836 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.100 -10.549 -5.188 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.799 -12.284 -3.678 1.00 0.00 C ATOM 0 H THR A 54 -1.410 -8.197 -4.180 1.00 0.00 H new ATOM 0 HA THR A 54 -2.463 -10.331 -2.358 1.00 0.00 H new ATOM 0 HB THR A 54 0.015 -11.135 -3.555 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.934 -9.584 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.359 -13.047 -4.320 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.751 -12.612 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.840 -12.128 -3.961 1.00 0.00 H new ATOM 902 N LEU A 55 -0.865 -9.383 -0.695 1.00 0.00 N ATOM 903 CA LEU A 55 0.130 -8.868 0.292 1.00 0.00 C ATOM 904 C LEU A 55 1.060 -10.010 0.713 1.00 0.00 C ATOM 905 O LEU A 55 0.620 -11.094 1.040 1.00 0.00 O ATOM 906 CB LEU A 55 -0.614 -8.334 1.522 1.00 0.00 C ATOM 907 CG LEU A 55 0.361 -7.625 2.468 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.260 -8.655 3.152 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.226 -6.640 1.678 1.00 0.00 C ATOM 0 H LEU A 55 -1.738 -9.725 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 55 0.717 -8.067 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.396 -7.642 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.105 -9.156 2.044 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.208 -7.083 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.951 -8.146 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.646 -9.351 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.824 -9.203 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.917 -6.139 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.790 -7.180 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.587 -5.899 1.198 1.00 0.00 H new ATOM 921 N THR A 56 2.346 -9.777 0.701 1.00 0.00 N ATOM 922 CA THR A 56 3.306 -10.849 1.095 1.00 0.00 C ATOM 923 C THR A 56 4.196 -10.345 2.233 1.00 0.00 C ATOM 924 O THR A 56 4.887 -9.355 2.101 1.00 0.00 O ATOM 925 CB THR A 56 4.174 -11.218 -0.110 1.00 0.00 C ATOM 926 OG1 THR A 56 3.374 -11.871 -1.086 1.00 0.00 O ATOM 927 CG2 THR A 56 5.301 -12.151 0.335 1.00 0.00 C ATOM 0 H THR A 56 2.773 -8.890 0.435 1.00 0.00 H new ATOM 0 HA THR A 56 2.755 -11.728 1.430 1.00 0.00 H new ATOM 0 HB THR A 56 4.604 -10.312 -0.538 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.928 -12.106 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.918 -12.412 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.915 -11.649 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.875 -13.057 0.765 1.00 0.00 H new ATOM 935 N SER A 57 4.185 -11.014 3.353 1.00 0.00 N ATOM 936 CA SER A 57 5.028 -10.564 4.496 1.00 0.00 C ATOM 937 C SER A 57 5.477 -11.778 5.318 1.00 0.00 C ATOM 938 O SER A 57 4.696 -12.667 5.588 1.00 0.00 O ATOM 939 CB SER A 57 4.214 -9.622 5.385 1.00 0.00 C ATOM 940 OG SER A 57 4.053 -8.375 4.721 1.00 0.00 O ATOM 0 H SER A 57 3.629 -11.852 3.526 1.00 0.00 H new ATOM 0 HA SER A 57 5.906 -10.043 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.240 -10.060 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.719 -9.477 6.340 1.00 0.00 H new ATOM 0 HG SER A 57 4.426 -8.435 3.817 1.00 0.00 H new ATOM 946 N PRO A 58 6.730 -11.764 5.698 1.00 0.00 N ATOM 947 CA PRO A 58 7.637 -10.680 5.353 1.00 0.00 C ATOM 948 C PRO A 58 8.115 -10.823 3.905 1.00 0.00 C ATOM 949 O PRO A 58 7.773 -11.766 3.218 1.00 0.00 O ATOM 950 CB PRO A 58 8.792 -10.838 6.309 1.00 0.00 C ATOM 951 CG PRO A 58 8.795 -12.366 6.639 1.00 0.00 C ATOM 952 CD PRO A 58 7.315 -12.836 6.511 1.00 0.00 C ATOM 0 HA PRO A 58 7.165 -9.701 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.732 -10.525 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.654 -10.235 7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.439 -12.913 5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.176 -12.547 7.644 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.235 -13.808 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.828 -12.925 7.482 1.00 0.00 H new ATOM 960 N CYS A 59 8.906 -9.895 3.436 1.00 0.00 N ATOM 961 CA CYS A 59 9.408 -9.978 2.034 1.00 0.00 C ATOM 962 C CYS A 59 10.783 -9.311 1.942 1.00 0.00 C ATOM 963 O CYS A 59 11.544 -9.302 2.889 1.00 0.00 O ATOM 964 CB CYS A 59 8.433 -9.257 1.101 1.00 0.00 C ATOM 965 SG CYS A 59 8.492 -10.021 -0.539 1.00 0.00 S ATOM 0 H CYS A 59 9.226 -9.083 3.964 1.00 0.00 H new ATOM 0 HA CYS A 59 9.490 -11.024 1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.421 -9.311 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.693 -8.201 1.032 1.00 0.00 H new ATOM 0 HG CYS A 59 9.718 -10.351 -0.820 1.00 0.00 H new ATOM 971 N GLN A 60 11.102 -8.749 0.807 1.00 0.00 N ATOM 972 CA GLN A 60 12.423 -8.074 0.650 1.00 0.00 C ATOM 973 C GLN A 60 13.553 -9.098 0.807 1.00 0.00 C ATOM 974 O GLN A 60 13.749 -9.668 1.862 1.00 0.00 O ATOM 975 CB GLN A 60 12.554 -6.971 1.713 1.00 0.00 C ATOM 976 CG GLN A 60 14.028 -6.634 1.953 1.00 0.00 C ATOM 977 CD GLN A 60 14.190 -5.120 2.103 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.827 -4.654 3.027 1.00 0.00 O ATOM 979 NE2 GLN A 60 13.637 -4.328 1.226 1.00 0.00 N ATOM 0 H GLN A 60 10.504 -8.728 -0.019 1.00 0.00 H new ATOM 0 HA GLN A 60 12.493 -7.629 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.019 -6.079 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.093 -7.298 2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.386 -7.139 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.634 -6.994 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.102 -4.720 0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.739 -3.317 1.316 1.00 0.00 H new ATOM 988 N ASP A 61 14.305 -9.322 -0.236 1.00 0.00 N ATOM 989 CA ASP A 61 15.433 -10.293 -0.154 1.00 0.00 C ATOM 990 C ASP A 61 16.757 -9.521 -0.148 1.00 0.00 C ATOM 991 O ASP A 61 17.825 -10.097 -0.209 1.00 0.00 O ATOM 992 CB ASP A 61 15.391 -11.229 -1.364 1.00 0.00 C ATOM 993 CG ASP A 61 15.888 -12.617 -0.955 1.00 0.00 C ATOM 994 OD1 ASP A 61 15.194 -13.274 -0.197 1.00 0.00 O ATOM 995 OD2 ASP A 61 16.955 -13.000 -1.408 1.00 0.00 O ATOM 0 H ASP A 61 14.186 -8.873 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 61 15.347 -10.882 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.374 -11.295 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.012 -10.831 -2.166 1.00 0.00 H new ATOM 1000 N PHE A 62 16.689 -8.218 -0.067 1.00 0.00 N ATOM 1001 CA PHE A 62 17.934 -7.398 -0.048 1.00 0.00 C ATOM 1002 C PHE A 62 18.385 -7.228 1.402 1.00 0.00 C ATOM 1003 O PHE A 62 19.553 -7.332 1.720 1.00 0.00 O ATOM 1004 CB PHE A 62 17.664 -6.011 -0.655 1.00 0.00 C ATOM 1005 CG PHE A 62 16.469 -6.067 -1.579 1.00 0.00 C ATOM 1006 CD1 PHE A 62 16.648 -6.374 -2.935 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.182 -5.821 -1.081 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.540 -6.434 -3.792 1.00 0.00 C ATOM 1009 CE2 PHE A 62 14.075 -5.882 -1.938 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.255 -6.189 -3.293 1.00 0.00 C ATOM 0 H PHE A 62 15.821 -7.685 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 62 18.706 -7.898 -0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 62 17.484 -5.287 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 62 18.541 -5.670 -1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.639 -6.564 -3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.044 -5.584 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.678 -6.669 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.083 -5.692 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.402 -6.237 -3.953 1.00 0.00 H new ATOM 1020 N GLY A 63 17.460 -6.970 2.283 1.00 0.00 N ATOM 1021 CA GLY A 63 17.818 -6.797 3.717 1.00 0.00 C ATOM 1022 C GLY A 63 17.119 -7.875 4.544 1.00 0.00 C ATOM 1023 O GLY A 63 17.495 -8.144 5.667 1.00 0.00 O ATOM 0 H GLY A 63 16.467 -6.871 2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.898 -6.867 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.519 -5.807 4.062 1.00 0.00 H new ATOM 1027 N LYS A 64 16.103 -8.490 3.989 1.00 0.00 N ATOM 1028 CA LYS A 64 15.356 -9.555 4.724 1.00 0.00 C ATOM 1029 C LYS A 64 15.264 -9.187 6.206 1.00 0.00 C ATOM 1030 O LYS A 64 15.248 -10.039 7.072 1.00 0.00 O ATOM 1031 CB LYS A 64 16.073 -10.900 4.554 1.00 0.00 C ATOM 1032 CG LYS A 64 17.394 -10.901 5.330 1.00 0.00 C ATOM 1033 CD LYS A 64 18.544 -10.553 4.384 1.00 0.00 C ATOM 1034 CE LYS A 64 19.541 -11.712 4.347 1.00 0.00 C ATOM 1035 NZ LYS A 64 20.085 -11.855 2.968 1.00 0.00 N ATOM 0 H LYS A 64 15.757 -8.297 3.049 1.00 0.00 H new ATOM 0 HA LYS A 64 14.348 -9.640 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.434 -11.708 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.264 -11.087 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.349 -10.179 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.563 -11.880 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.159 -10.358 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.041 -9.642 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.352 -11.531 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.052 -12.636 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.763 -12.643 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.306 -12.047 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.566 -10.975 2.692 1.00 0.00 H new ATOM 1049 N ARG A 65 15.210 -7.916 6.498 1.00 0.00 N ATOM 1050 CA ARG A 65 15.126 -7.471 7.916 1.00 0.00 C ATOM 1051 C ARG A 65 13.663 -7.263 8.303 1.00 0.00 C ATOM 1052 O ARG A 65 13.352 -6.534 9.223 1.00 0.00 O ATOM 1053 CB ARG A 65 15.877 -6.149 8.070 1.00 0.00 C ATOM 1054 CG ARG A 65 16.800 -6.219 9.289 1.00 0.00 C ATOM 1055 CD ARG A 65 18.228 -5.868 8.871 1.00 0.00 C ATOM 1056 NE ARG A 65 19.066 -7.100 8.884 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.024 -7.247 8.011 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.766 -6.227 7.678 1.00 0.00 N ATOM 1059 NH2 ARG A 65 20.240 -8.414 7.469 1.00 0.00 N ATOM 0 H ARG A 65 15.221 -7.163 5.810 1.00 0.00 H new ATOM 0 HA ARG A 65 15.569 -8.229 8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.460 -5.944 7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.169 -5.328 8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.455 -5.529 10.059 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.772 -7.219 9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.228 -5.425 7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.645 -5.124 9.550 1.00 0.00 H new ATOM 0 HE ARG A 65 18.890 -7.829 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.597 -5.314 8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.515 -6.342 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.660 -9.212 7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.989 -8.528 6.786 1.00 0.00 H new ATOM 1073 N MET A 66 12.759 -7.890 7.604 1.00 0.00 N ATOM 1074 CA MET A 66 11.320 -7.713 7.934 1.00 0.00 C ATOM 1075 C MET A 66 10.981 -6.223 7.894 1.00 0.00 C ATOM 1076 O MET A 66 11.826 -5.397 7.610 1.00 0.00 O ATOM 1077 CB MET A 66 11.044 -8.264 9.334 1.00 0.00 C ATOM 1078 CG MET A 66 11.744 -9.614 9.497 1.00 0.00 C ATOM 1079 SD MET A 66 10.550 -10.849 10.066 1.00 0.00 S ATOM 1080 CE MET A 66 11.617 -12.298 9.875 1.00 0.00 C ATOM 0 H MET A 66 12.954 -8.515 6.822 1.00 0.00 H new ATOM 0 HA MET A 66 10.707 -8.250 7.211 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.401 -7.564 10.089 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.971 -8.378 9.487 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.181 -9.926 8.548 1.00 0.00 H new ATOM 0 HG3 MET A 66 12.562 -9.527 10.212 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.072 -13.193 10.176 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.921 -12.391 8.832 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.501 -12.184 10.502 1.00 0.00 H new ATOM 1090 N PHE A 67 9.751 -5.876 8.172 1.00 0.00 N ATOM 1091 CA PHE A 67 9.341 -4.439 8.152 1.00 0.00 C ATOM 1092 C PHE A 67 9.010 -4.015 6.716 1.00 0.00 C ATOM 1093 O PHE A 67 8.314 -3.043 6.493 1.00 0.00 O ATOM 1094 CB PHE A 67 10.471 -3.559 8.701 1.00 0.00 C ATOM 1095 CG PHE A 67 11.128 -4.245 9.876 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.406 -5.169 10.646 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.461 -3.960 10.196 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.020 -5.807 11.733 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.074 -4.596 11.283 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.353 -5.519 12.052 1.00 0.00 C ATOM 0 H PHE A 67 9.007 -6.531 8.414 1.00 0.00 H new ATOM 0 HA PHE A 67 8.458 -4.315 8.779 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.208 -3.368 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.074 -2.591 9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.377 -5.389 10.401 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.017 -3.249 9.604 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.465 -6.520 12.324 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.102 -4.375 11.528 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.825 -6.008 12.891 1.00 0.00 H new ATOM 1110 N VAL A 68 9.490 -4.739 5.739 1.00 0.00 N ATOM 1111 CA VAL A 68 9.188 -4.380 4.326 1.00 0.00 C ATOM 1112 C VAL A 68 8.096 -5.326 3.809 1.00 0.00 C ATOM 1113 O VAL A 68 8.143 -6.519 4.033 1.00 0.00 O ATOM 1114 CB VAL A 68 10.473 -4.493 3.471 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.457 -5.484 4.106 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.134 -4.961 2.048 1.00 0.00 C ATOM 0 H VAL A 68 10.078 -5.563 5.861 1.00 0.00 H new ATOM 0 HA VAL A 68 8.833 -3.352 4.260 1.00 0.00 H new ATOM 0 HB VAL A 68 10.934 -3.506 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.354 -5.550 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.726 -5.140 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.990 -6.467 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.050 -5.035 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.651 -5.937 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.460 -4.244 1.580 1.00 0.00 H new ATOM 1126 N PHE A 69 7.111 -4.804 3.125 1.00 0.00 N ATOM 1127 CA PHE A 69 6.026 -5.690 2.611 1.00 0.00 C ATOM 1128 C PHE A 69 6.103 -5.780 1.086 1.00 0.00 C ATOM 1129 O PHE A 69 6.570 -4.879 0.419 1.00 0.00 O ATOM 1130 CB PHE A 69 4.646 -5.166 3.073 1.00 0.00 C ATOM 1131 CG PHE A 69 4.034 -4.174 2.089 1.00 0.00 C ATOM 1132 CD1 PHE A 69 3.686 -4.574 0.788 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.788 -2.857 2.497 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.103 -3.660 -0.097 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.204 -1.943 1.608 1.00 0.00 C ATOM 1136 CZ PHE A 69 2.862 -2.345 0.312 1.00 0.00 C ATOM 0 H PHE A 69 7.011 -3.814 2.902 1.00 0.00 H new ATOM 0 HA PHE A 69 6.158 -6.693 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.967 -6.009 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.751 -4.688 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.869 -5.590 0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.048 -2.545 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.839 -3.971 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.018 -0.927 1.924 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.412 -1.640 -0.372 1.00 0.00 H new ATOM 1146 N LYS A 70 5.645 -6.872 0.534 1.00 0.00 N ATOM 1147 CA LYS A 70 5.680 -7.044 -0.945 1.00 0.00 C ATOM 1148 C LYS A 70 4.266 -7.344 -1.454 1.00 0.00 C ATOM 1149 O LYS A 70 3.770 -8.443 -1.311 1.00 0.00 O ATOM 1150 CB LYS A 70 6.608 -8.211 -1.296 1.00 0.00 C ATOM 1151 CG LYS A 70 6.507 -8.519 -2.794 1.00 0.00 C ATOM 1152 CD LYS A 70 6.988 -9.947 -3.059 1.00 0.00 C ATOM 1153 CE LYS A 70 6.003 -10.651 -3.993 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.560 -10.676 -5.374 1.00 0.00 N ATOM 0 H LYS A 70 5.246 -7.657 1.049 1.00 0.00 H new ATOM 0 HA LYS A 70 6.049 -6.131 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.636 -7.962 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.336 -9.092 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.477 -8.403 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.109 -7.810 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.982 -9.930 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.070 -10.495 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.819 -11.667 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.044 -10.133 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.785 -10.594 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.218 -9.881 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.066 -11.571 -5.528 1.00 0.00 H new ATOM 1168 N ILE A 71 3.615 -6.380 -2.048 1.00 0.00 N ATOM 1169 CA ILE A 71 2.234 -6.625 -2.563 1.00 0.00 C ATOM 1170 C ILE A 71 2.314 -7.101 -4.016 1.00 0.00 C ATOM 1171 O ILE A 71 3.342 -7.014 -4.657 1.00 0.00 O ATOM 1172 CB ILE A 71 1.414 -5.328 -2.473 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.845 -5.189 -1.059 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.254 -5.349 -3.478 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.380 -3.749 -0.833 1.00 0.00 C ATOM 0 H ILE A 71 3.976 -5.438 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 71 1.746 -7.392 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 71 2.066 -4.486 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.011 -5.877 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.603 -5.457 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.314 -4.422 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.650 -5.446 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.399 -6.194 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.025 -3.651 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.225 -3.071 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.392 -3.498 -1.560 1.00 0.00 H new ATOM 1187 N THR A 72 1.227 -7.600 -4.536 1.00 0.00 N ATOM 1188 CA THR A 72 1.216 -8.080 -5.944 1.00 0.00 C ATOM 1189 C THR A 72 -0.162 -7.794 -6.542 1.00 0.00 C ATOM 1190 O THR A 72 -1.036 -8.639 -6.550 1.00 0.00 O ATOM 1191 CB THR A 72 1.500 -9.585 -5.977 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.887 -9.806 -5.759 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.100 -10.159 -7.339 1.00 0.00 C ATOM 0 H THR A 72 0.340 -7.696 -4.041 1.00 0.00 H new ATOM 0 HA THR A 72 1.984 -7.567 -6.523 1.00 0.00 H new ATOM 0 HB THR A 72 0.922 -10.079 -5.196 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.387 -9.572 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.304 -11.230 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.036 -9.990 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.674 -9.667 -8.124 1.00 0.00 H new ATOM 1201 N THR A 73 -0.365 -6.601 -7.027 1.00 0.00 N ATOM 1202 CA THR A 73 -1.689 -6.244 -7.613 1.00 0.00 C ATOM 1203 C THR A 73 -2.193 -7.398 -8.484 1.00 0.00 C ATOM 1204 O THR A 73 -1.453 -8.296 -8.830 1.00 0.00 O ATOM 1205 CB THR A 73 -1.555 -4.983 -8.469 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.046 -5.332 -9.748 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.605 -3.993 -7.792 1.00 0.00 C ATOM 0 H THR A 73 0.330 -5.855 -7.043 1.00 0.00 H new ATOM 0 HA THR A 73 -2.398 -6.059 -6.806 1.00 0.00 H new ATOM 0 HB THR A 73 -2.535 -4.518 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.240 -4.613 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.514 -3.098 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.999 -3.722 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.376 -4.453 -7.674 1.00 0.00 H new ATOM 1215 N THR A 74 -3.450 -7.377 -8.838 1.00 0.00 N ATOM 1216 CA THR A 74 -4.004 -8.471 -9.686 1.00 0.00 C ATOM 1217 C THR A 74 -3.292 -8.477 -11.040 1.00 0.00 C ATOM 1218 O THR A 74 -3.344 -9.441 -11.777 1.00 0.00 O ATOM 1219 CB THR A 74 -5.505 -8.249 -9.898 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.923 -8.945 -11.065 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.787 -6.756 -10.063 1.00 0.00 C ATOM 0 H THR A 74 -4.116 -6.650 -8.577 1.00 0.00 H new ATOM 0 HA THR A 74 -3.848 -9.428 -9.188 1.00 0.00 H new ATOM 0 HB THR A 74 -6.053 -8.623 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.883 -8.806 -11.202 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.856 -6.602 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.466 -6.224 -9.167 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.240 -6.376 -10.926 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.623 -7.407 -11.371 1.00 0.00 N ATOM 1230 CA LYS A 75 -1.905 -7.352 -12.675 1.00 0.00 C ATOM 1231 C LYS A 75 -0.477 -7.868 -12.487 1.00 0.00 C ATOM 1232 O LYS A 75 0.401 -7.605 -13.285 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.865 -5.906 -13.176 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.253 -5.497 -13.670 1.00 0.00 C ATOM 1235 CD LYS A 75 -3.156 -5.008 -15.116 1.00 0.00 C ATOM 1236 CE LYS A 75 -4.140 -5.788 -15.989 1.00 0.00 C ATOM 1237 NZ LYS A 75 -3.433 -6.300 -17.197 1.00 0.00 N ATOM 0 H LYS A 75 -2.543 -6.569 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.425 -7.973 -13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.543 -5.241 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.138 -5.810 -13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.937 -6.343 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.659 -4.710 -13.035 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.377 -3.942 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.140 -5.141 -15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.565 -6.618 -15.424 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.969 -5.145 -16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.101 -6.831 -17.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.047 -5.500 -17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.656 -6.927 -16.905 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.241 -8.604 -11.436 1.00 0.00 N ATOM 1252 CA GLN A 76 1.127 -9.144 -11.191 1.00 0.00 C ATOM 1253 C GLN A 76 2.114 -7.988 -11.002 1.00 0.00 C ATOM 1254 O GLN A 76 3.262 -8.072 -11.390 1.00 0.00 O ATOM 1255 CB GLN A 76 1.562 -9.994 -12.385 1.00 0.00 C ATOM 1256 CG GLN A 76 1.743 -11.447 -11.940 1.00 0.00 C ATOM 1257 CD GLN A 76 0.914 -12.364 -12.841 1.00 0.00 C ATOM 1258 OE1 GLN A 76 1.434 -12.963 -13.761 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -0.365 -12.499 -12.614 1.00 0.00 N ATOM 0 H GLN A 76 -0.938 -8.855 -10.735 1.00 0.00 H new ATOM 0 HA GLN A 76 1.115 -9.758 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.816 -9.936 -13.177 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.495 -9.610 -12.797 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.796 -11.725 -11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.432 -11.562 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.802 -11.996 -11.842 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.927 -13.107 -13.209 1.00 0.00 H new ATOM 1268 N GLN A 77 1.679 -6.912 -10.404 1.00 0.00 N ATOM 1269 CA GLN A 77 2.599 -5.758 -10.188 1.00 0.00 C ATOM 1270 C GLN A 77 3.151 -5.817 -8.763 1.00 0.00 C ATOM 1271 O GLN A 77 2.535 -5.343 -7.828 1.00 0.00 O ATOM 1272 CB GLN A 77 1.833 -4.447 -10.386 1.00 0.00 C ATOM 1273 CG GLN A 77 2.362 -3.724 -11.626 1.00 0.00 C ATOM 1274 CD GLN A 77 1.225 -2.939 -12.283 1.00 0.00 C ATOM 1275 OE1 GLN A 77 0.482 -2.249 -11.613 1.00 0.00 O ATOM 1276 NE2 GLN A 77 1.057 -3.014 -13.574 1.00 0.00 N ATOM 0 H GLN A 77 0.729 -6.782 -10.056 1.00 0.00 H new ATOM 0 HA GLN A 77 3.421 -5.806 -10.903 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.768 -4.650 -10.498 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.946 -3.812 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.171 -3.049 -11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.776 -4.445 -12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.680 -3.593 -14.137 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.302 -2.494 -14.021 1.00 0.00 H new ATOM 1285 N ASP A 78 4.304 -6.402 -8.585 1.00 0.00 N ATOM 1286 CA ASP A 78 4.888 -6.496 -7.219 1.00 0.00 C ATOM 1287 C ASP A 78 5.164 -5.092 -6.677 1.00 0.00 C ATOM 1288 O ASP A 78 5.339 -4.149 -7.425 1.00 0.00 O ATOM 1289 CB ASP A 78 6.197 -7.286 -7.277 1.00 0.00 C ATOM 1290 CG ASP A 78 5.894 -8.757 -7.572 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.003 -9.295 -6.936 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.558 -9.318 -8.427 1.00 0.00 O ATOM 0 H ASP A 78 4.866 -6.819 -9.327 1.00 0.00 H new ATOM 0 HA ASP A 78 4.183 -7.004 -6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.848 -6.876 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.730 -7.196 -6.331 1.00 0.00 H new ATOM 1297 N HIS A 79 5.207 -4.945 -5.380 1.00 0.00 N ATOM 1298 CA HIS A 79 5.473 -3.603 -4.790 1.00 0.00 C ATOM 1299 C HIS A 79 6.415 -3.752 -3.593 1.00 0.00 C ATOM 1300 O HIS A 79 6.145 -4.489 -2.667 1.00 0.00 O ATOM 1301 CB HIS A 79 4.155 -2.978 -4.329 1.00 0.00 C ATOM 1302 CG HIS A 79 3.465 -2.347 -5.506 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.760 -1.062 -5.934 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.493 -2.812 -6.356 1.00 0.00 C ATOM 1305 CE1 HIS A 79 2.979 -0.801 -6.999 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.188 -1.835 -7.298 1.00 0.00 N ATOM 0 H HIS A 79 5.069 -5.697 -4.704 1.00 0.00 H new ATOM 0 HA HIS A 79 5.936 -2.961 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.515 -3.739 -3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.344 -2.229 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.034 -3.788 -6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.991 0.131 -7.545 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.507 -1.895 -8.055 1.00 0.00 H new ATOM 1314 N PHE A 80 7.522 -3.062 -3.613 1.00 0.00 N ATOM 1315 CA PHE A 80 8.492 -3.166 -2.485 1.00 0.00 C ATOM 1316 C PHE A 80 8.212 -2.068 -1.455 1.00 0.00 C ATOM 1317 O PHE A 80 8.186 -0.895 -1.774 1.00 0.00 O ATOM 1318 CB PHE A 80 9.908 -3.005 -3.036 1.00 0.00 C ATOM 1319 CG PHE A 80 10.288 -4.245 -3.808 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.694 -5.398 -3.124 1.00 0.00 C ATOM 1321 CD2 PHE A 80 10.230 -4.242 -5.208 1.00 0.00 C ATOM 1322 CE1 PHE A 80 11.046 -6.549 -3.842 1.00 0.00 C ATOM 1323 CE2 PHE A 80 10.580 -5.394 -5.925 1.00 0.00 C ATOM 1324 CZ PHE A 80 10.989 -6.547 -5.242 1.00 0.00 C ATOM 0 H PHE A 80 7.798 -2.429 -4.364 1.00 0.00 H new ATOM 0 HA PHE A 80 8.390 -4.137 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.961 -2.130 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.612 -2.841 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.736 -5.400 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.916 -3.353 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 80 11.361 -7.438 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.534 -5.393 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.260 -7.434 -5.795 1.00 0.00 H new ATOM 1334 N PHE A 81 7.998 -2.442 -0.220 1.00 0.00 N ATOM 1335 CA PHE A 81 7.708 -1.428 0.837 1.00 0.00 C ATOM 1336 C PHE A 81 8.729 -1.546 1.970 1.00 0.00 C ATOM 1337 O PHE A 81 9.120 -2.628 2.352 1.00 0.00 O ATOM 1338 CB PHE A 81 6.318 -1.692 1.407 1.00 0.00 C ATOM 1339 CG PHE A 81 5.618 -0.395 1.680 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.600 0.616 0.712 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.971 -0.207 2.905 1.00 0.00 C ATOM 1342 CE1 PHE A 81 4.932 1.817 0.973 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.304 0.987 3.164 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.282 2.000 2.200 1.00 0.00 C ATOM 0 H PHE A 81 8.012 -3.409 0.103 1.00 0.00 H new ATOM 0 HA PHE A 81 7.761 -0.431 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.735 -2.288 0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.398 -2.272 2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.100 0.469 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.989 -0.988 3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.918 2.601 0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.803 1.131 4.110 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.763 2.925 2.402 1.00 0.00 H new ATOM 1354 N GLN A 82 9.148 -0.441 2.523 1.00 0.00 N ATOM 1355 CA GLN A 82 10.131 -0.493 3.643 1.00 0.00 C ATOM 1356 C GLN A 82 9.693 0.474 4.747 1.00 0.00 C ATOM 1357 O GLN A 82 9.765 1.678 4.595 1.00 0.00 O ATOM 1358 CB GLN A 82 11.517 -0.088 3.132 1.00 0.00 C ATOM 1359 CG GLN A 82 12.413 -1.326 3.038 1.00 0.00 C ATOM 1360 CD GLN A 82 12.760 -1.814 4.446 1.00 0.00 C ATOM 1361 OE1 GLN A 82 12.091 -2.672 4.986 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.784 -1.297 5.068 1.00 0.00 N ATOM 0 H GLN A 82 8.852 0.496 2.248 1.00 0.00 H new ATOM 0 HA GLN A 82 10.175 -1.507 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.431 0.386 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.963 0.646 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.904 -2.115 2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.324 -1.088 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.346 -0.577 4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.023 -1.613 6.008 1.00 0.00 H new ATOM 1371 N ALA A 83 9.237 -0.042 5.857 1.00 0.00 N ATOM 1372 CA ALA A 83 8.794 0.846 6.968 1.00 0.00 C ATOM 1373 C ALA A 83 9.984 1.149 7.882 1.00 0.00 C ATOM 1374 O ALA A 83 11.107 1.262 7.433 1.00 0.00 O ATOM 1375 CB ALA A 83 7.695 0.146 7.771 1.00 0.00 C ATOM 0 H ALA A 83 9.153 -1.042 6.041 1.00 0.00 H new ATOM 0 HA ALA A 83 8.405 1.778 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.370 0.794 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.849 -0.070 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.083 -0.786 8.183 1.00 0.00 H new ATOM 1381 N ALA A 84 9.752 1.286 9.160 1.00 0.00 N ATOM 1382 CA ALA A 84 10.878 1.588 10.087 1.00 0.00 C ATOM 1383 C ALA A 84 10.811 0.662 11.306 1.00 0.00 C ATOM 1384 O ALA A 84 11.619 0.754 12.209 1.00 0.00 O ATOM 1385 CB ALA A 84 10.781 3.043 10.547 1.00 0.00 C ATOM 0 H ALA A 84 8.835 1.202 9.600 1.00 0.00 H new ATOM 0 HA ALA A 84 11.823 1.430 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.604 3.266 11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.836 3.703 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.833 3.199 11.063 1.00 0.00 H new ATOM 1391 N PHE A 85 9.857 -0.226 11.343 1.00 0.00 N ATOM 1392 CA PHE A 85 9.748 -1.150 12.511 1.00 0.00 C ATOM 1393 C PHE A 85 8.680 -2.207 12.224 1.00 0.00 C ATOM 1394 O PHE A 85 7.769 -1.990 11.450 1.00 0.00 O ATOM 1395 CB PHE A 85 9.367 -0.363 13.777 1.00 0.00 C ATOM 1396 CG PHE A 85 8.940 1.043 13.415 1.00 0.00 C ATOM 1397 CD1 PHE A 85 7.925 1.245 12.470 1.00 0.00 C ATOM 1398 CD2 PHE A 85 9.561 2.144 14.022 1.00 0.00 C ATOM 1399 CE1 PHE A 85 7.531 2.546 12.131 1.00 0.00 C ATOM 1400 CE2 PHE A 85 9.167 3.445 13.684 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.152 3.646 12.739 1.00 0.00 C ATOM 0 H PHE A 85 9.150 -0.353 10.619 1.00 0.00 H new ATOM 0 HA PHE A 85 10.711 -1.635 12.673 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.558 -0.873 14.300 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.216 -0.328 14.460 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.446 0.397 12.003 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.343 1.989 14.750 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.750 2.701 11.402 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.645 4.293 14.152 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.848 4.649 12.479 1.00 0.00 H new ATOM 1411 N LEU A 86 8.786 -3.354 12.840 1.00 0.00 N ATOM 1412 CA LEU A 86 7.777 -4.424 12.597 1.00 0.00 C ATOM 1413 C LEU A 86 6.409 -3.962 13.114 1.00 0.00 C ATOM 1414 O LEU A 86 5.380 -4.452 12.695 1.00 0.00 O ATOM 1415 CB LEU A 86 8.227 -5.723 13.301 1.00 0.00 C ATOM 1416 CG LEU A 86 7.497 -5.910 14.639 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.995 -7.185 15.320 1.00 0.00 C ATOM 1418 CD2 LEU A 86 7.775 -4.708 15.543 1.00 0.00 C ATOM 0 H LEU A 86 9.526 -3.595 13.499 1.00 0.00 H new ATOM 0 HA LEU A 86 7.692 -4.623 11.529 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.030 -6.578 12.654 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.303 -5.693 13.472 1.00 0.00 H new ATOM 0 HG LEU A 86 6.425 -5.990 14.459 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.476 -7.317 16.270 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.797 -8.042 14.676 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.067 -7.106 15.500 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.257 -4.840 16.493 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.847 -4.628 15.722 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.419 -3.799 15.059 1.00 0.00 H new ATOM 1430 N GLU A 87 6.392 -3.024 14.021 1.00 0.00 N ATOM 1431 CA GLU A 87 5.092 -2.535 14.556 1.00 0.00 C ATOM 1432 C GLU A 87 4.327 -1.828 13.440 1.00 0.00 C ATOM 1433 O GLU A 87 3.314 -2.305 12.970 1.00 0.00 O ATOM 1434 CB GLU A 87 5.343 -1.557 15.706 1.00 0.00 C ATOM 1435 CG GLU A 87 4.674 -2.081 16.978 1.00 0.00 C ATOM 1436 CD GLU A 87 3.164 -1.850 16.892 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.594 -2.164 15.861 1.00 0.00 O ATOM 1438 OE2 GLU A 87 2.603 -1.363 17.861 1.00 0.00 O ATOM 0 H GLU A 87 7.220 -2.577 14.413 1.00 0.00 H new ATOM 0 HA GLU A 87 4.508 -3.378 14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.414 -1.438 15.869 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.948 -0.573 15.453 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.884 -3.144 17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.081 -1.573 17.852 1.00 0.00 H new ATOM 1445 N GLU A 88 4.810 -0.698 13.004 1.00 0.00 N ATOM 1446 CA GLU A 88 4.113 0.027 11.909 1.00 0.00 C ATOM 1447 C GLU A 88 4.072 -0.870 10.673 1.00 0.00 C ATOM 1448 O GLU A 88 3.246 -0.706 9.798 1.00 0.00 O ATOM 1449 CB GLU A 88 4.868 1.318 11.586 1.00 0.00 C ATOM 1450 CG GLU A 88 3.934 2.290 10.864 1.00 0.00 C ATOM 1451 CD GLU A 88 4.718 3.048 9.794 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.402 2.401 9.018 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.623 4.264 9.769 1.00 0.00 O ATOM 0 H GLU A 88 5.654 -0.248 13.358 1.00 0.00 H new ATOM 0 HA GLU A 88 3.098 0.278 12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.243 1.771 12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.734 1.098 10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.107 1.746 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.499 2.991 11.577 1.00 0.00 H new ATOM 1460 N ARG A 89 4.959 -1.826 10.599 1.00 0.00 N ATOM 1461 CA ARG A 89 4.973 -2.745 9.427 1.00 0.00 C ATOM 1462 C ARG A 89 3.651 -3.513 9.372 1.00 0.00 C ATOM 1463 O ARG A 89 2.872 -3.353 8.456 1.00 0.00 O ATOM 1464 CB ARG A 89 6.134 -3.733 9.565 1.00 0.00 C ATOM 1465 CG ARG A 89 5.993 -4.835 8.513 1.00 0.00 C ATOM 1466 CD ARG A 89 5.793 -6.182 9.210 1.00 0.00 C ATOM 1467 NE ARG A 89 5.426 -7.214 8.198 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.207 -7.431 7.176 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.326 -8.082 7.337 1.00 0.00 N ATOM 1470 NH2 ARG A 89 5.869 -6.996 5.993 1.00 0.00 N ATOM 0 H ARG A 89 5.675 -2.009 11.302 1.00 0.00 H new ATOM 0 HA ARG A 89 5.098 -2.167 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.084 -3.214 9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.139 -4.168 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.147 -4.622 7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.882 -4.868 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.706 -6.474 9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.010 -6.101 9.964 1.00 0.00 H new ATOM 0 HE ARG A 89 4.565 -7.750 8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.590 -8.421 8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.937 -8.252 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.994 -6.486 5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.480 -7.166 5.194 1.00 0.00 H new ATOM 1484 N ASP A 90 3.389 -4.343 10.347 1.00 0.00 N ATOM 1485 CA ASP A 90 2.111 -5.114 10.344 1.00 0.00 C ATOM 1486 C ASP A 90 0.931 -4.144 10.282 1.00 0.00 C ATOM 1487 O ASP A 90 -0.084 -4.425 9.682 1.00 0.00 O ATOM 1488 CB ASP A 90 2.013 -5.949 11.622 1.00 0.00 C ATOM 1489 CG ASP A 90 1.698 -7.402 11.263 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.679 -7.627 10.631 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.481 -8.266 11.625 1.00 0.00 O ATOM 0 H ASP A 90 4.002 -4.520 11.143 1.00 0.00 H new ATOM 0 HA ASP A 90 2.089 -5.773 9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.950 -5.896 12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.235 -5.548 12.272 1.00 0.00 H new ATOM 1496 N ALA A 91 1.057 -3.000 10.896 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.061 -2.015 10.867 1.00 0.00 C ATOM 1498 C ALA A 91 -0.309 -1.581 9.421 1.00 0.00 C ATOM 1499 O ALA A 91 -1.427 -1.317 9.022 1.00 0.00 O ATOM 1500 CB ALA A 91 0.311 -0.795 11.710 1.00 0.00 C ATOM 0 H ALA A 91 1.884 -2.705 11.415 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.963 -2.472 11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.507 -0.075 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.494 -1.106 12.739 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.211 -0.334 11.305 1.00 0.00 H new ATOM 1506 N TRP A 92 0.727 -1.516 8.630 1.00 0.00 N ATOM 1507 CA TRP A 92 0.565 -1.110 7.214 1.00 0.00 C ATOM 1508 C TRP A 92 -0.052 -2.269 6.438 1.00 0.00 C ATOM 1509 O TRP A 92 -1.084 -2.138 5.817 1.00 0.00 O ATOM 1510 CB TRP A 92 1.940 -0.788 6.637 1.00 0.00 C ATOM 1511 CG TRP A 92 2.154 0.688 6.649 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.971 1.344 7.503 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.562 1.702 5.786 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.925 2.695 7.217 1.00 0.00 N ATOM 1515 CE2 TRP A 92 2.067 2.966 6.169 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.647 1.646 4.718 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.680 4.136 5.515 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.256 2.823 4.057 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.772 4.064 4.454 1.00 0.00 C ATOM 0 H TRP A 92 1.684 -1.729 8.911 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.080 -0.234 7.141 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.716 -1.283 7.221 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.016 -1.169 5.618 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.563 0.887 8.282 1.00 0.00 H new ATOM 0 HE1 TRP A 92 3.459 3.405 7.718 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.244 0.694 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.079 5.090 5.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.446 2.771 3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.468 4.964 3.941 1.00 0.00 H new ATOM 1530 N VAL A 93 0.580 -3.408 6.480 1.00 0.00 N ATOM 1531 CA VAL A 93 0.041 -4.598 5.757 1.00 0.00 C ATOM 1532 C VAL A 93 -1.302 -4.998 6.374 1.00 0.00 C ATOM 1533 O VAL A 93 -2.026 -5.811 5.835 1.00 0.00 O ATOM 1534 CB VAL A 93 1.024 -5.769 5.871 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.027 -5.705 4.720 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.779 -5.696 7.198 1.00 0.00 C ATOM 0 H VAL A 93 1.451 -3.569 6.986 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.096 -4.348 4.705 1.00 0.00 H new ATOM 0 HB VAL A 93 0.466 -6.704 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.726 -6.537 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.496 -5.768 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.576 -4.764 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.474 -6.533 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.333 -4.759 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.069 -5.744 8.024 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.637 -4.433 7.502 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.930 -4.780 8.157 1.00 0.00 C ATOM 1548 C ARG A 94 -4.053 -3.931 7.555 1.00 0.00 C ATOM 1549 O ARG A 94 -5.151 -4.404 7.337 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.831 -4.497 9.658 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.210 -5.703 10.368 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.297 -6.740 10.659 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.744 -7.807 11.540 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.542 -8.692 12.073 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.487 -8.311 12.888 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -3.394 -9.958 11.793 1.00 0.00 N ATOM 0 H ARG A 94 -1.070 -3.745 7.999 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.146 -5.836 7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.225 -3.608 9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.821 -4.292 10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.430 -6.143 9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.736 -5.387 11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.150 -6.262 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.659 -7.174 9.727 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.742 -7.846 11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.602 -7.322 13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.111 -9.002 13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.654 -10.257 11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.018 -10.649 12.210 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.789 -2.680 7.290 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.848 -1.806 6.708 1.00 0.00 C ATOM 1572 C ASP A 95 -4.840 -1.922 5.181 1.00 0.00 C ATOM 1573 O ASP A 95 -5.818 -1.627 4.523 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.587 -0.352 7.111 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.787 0.184 7.893 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -6.884 -0.293 7.657 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.588 1.062 8.717 1.00 0.00 O ATOM 0 H ASP A 95 -2.889 -2.227 7.451 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.821 -2.122 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.685 -0.289 7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.416 0.257 6.224 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.747 -2.351 4.612 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.687 -2.486 3.129 1.00 0.00 C ATOM 1584 C ILE A 96 -4.207 -3.868 2.731 1.00 0.00 C ATOM 1585 O ILE A 96 -4.895 -4.022 1.741 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.243 -2.321 2.647 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.768 -0.893 2.953 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.187 -2.577 1.138 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.528 -0.552 2.116 1.00 0.00 C ATOM 0 H ILE A 96 -2.895 -2.613 5.108 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.303 -1.714 2.669 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.595 -3.032 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.567 -0.183 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.536 -0.799 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.162 -2.461 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.530 -3.590 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.829 -1.862 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.203 0.463 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.274 -1.251 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.773 -0.625 1.056 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.895 -4.873 3.502 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.384 -6.241 3.173 1.00 0.00 C ATOM 1603 C ASN A 97 -5.833 -6.374 3.641 1.00 0.00 C ATOM 1604 O ASN A 97 -6.634 -7.051 3.030 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.518 -7.282 3.884 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.108 -8.675 3.655 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -3.913 -9.570 4.454 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -4.826 -8.898 2.588 1.00 0.00 N ATOM 0 H ASN A 97 -3.324 -4.806 4.344 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.326 -6.405 2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.496 -7.241 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.472 -7.065 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.223 -9.823 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.990 -8.147 1.917 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.177 -5.723 4.720 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.574 -5.803 5.226 1.00 0.00 C ATOM 1617 C LYS A 98 -8.488 -5.001 4.299 1.00 0.00 C ATOM 1618 O LYS A 98 -9.555 -5.445 3.924 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.642 -5.219 6.639 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.056 -5.397 7.196 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.378 -6.888 7.298 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.848 -7.213 8.716 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.538 -8.534 8.719 1.00 0.00 N ATOM 0 H LYS A 98 -5.549 -5.139 5.272 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.896 -6.844 5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.919 -5.717 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.377 -4.162 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.134 -4.929 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.779 -4.901 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.151 -7.154 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.496 -7.479 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.997 -7.233 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.524 -6.436 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.858 -8.756 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.359 -8.498 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.879 -9.270 8.395 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.076 -3.820 3.924 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.919 -2.992 3.018 1.00 0.00 C ATOM 1639 C ALA A 99 -9.036 -3.690 1.662 1.00 0.00 C ATOM 1640 O ALA A 99 -10.094 -3.737 1.066 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.269 -1.618 2.831 1.00 0.00 C ATOM 0 H ALA A 99 -7.193 -3.394 4.206 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.911 -2.867 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.885 -1.011 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.180 -1.123 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.278 -1.741 2.394 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.958 -4.240 1.173 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.010 -4.941 -0.140 1.00 0.00 C ATOM 1649 C ILE A 100 -8.885 -6.190 -0.007 1.00 0.00 C ATOM 1650 O ILE A 100 -9.559 -6.588 -0.936 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.592 -5.346 -0.558 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.825 -4.107 -1.026 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.661 -6.361 -1.701 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.321 -4.365 -0.905 1.00 0.00 C ATOM 0 H ILE A 100 -7.044 -4.234 1.626 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.432 -4.279 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.080 -5.794 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.083 -3.874 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.107 -3.243 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.651 -6.647 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.206 -7.245 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.175 -5.915 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.773 -3.484 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.071 -4.577 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.047 -5.218 -1.525 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.882 -6.809 1.143 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.719 -8.028 1.333 1.00 0.00 C ATOM 1668 C LYS A 101 -11.156 -7.614 1.648 1.00 0.00 C ATOM 1669 O LYS A 101 -12.065 -8.420 1.627 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.158 -8.861 2.489 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.699 -10.289 2.400 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.584 -10.967 3.767 1.00 0.00 C ATOM 1673 CE LYS A 101 -9.866 -12.463 3.622 1.00 0.00 C ATOM 1674 NZ LYS A 101 -8.579 -13.197 3.460 1.00 0.00 N ATOM 0 H LYS A 101 -8.337 -6.524 1.957 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.705 -8.624 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.069 -8.871 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.438 -8.414 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.740 -10.275 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.141 -10.855 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.586 -10.813 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.290 -10.520 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.399 -12.830 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.510 -12.641 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.770 -14.215 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.088 -12.853 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.980 -13.036 4.295 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.367 -6.361 1.932 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.747 -5.885 2.242 1.00 0.00 C ATOM 1690 C CYS A 102 -13.378 -5.326 0.966 1.00 0.00 C ATOM 1691 O CYS A 102 -14.583 -5.285 0.821 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.685 -4.787 3.305 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.243 -5.452 4.892 1.00 0.00 S ATOM 0 H CYS A 102 -10.644 -5.643 1.964 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.346 -6.714 2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.666 -4.410 3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.312 -3.945 3.011 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.188 -4.520 5.796 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.566 -4.899 0.039 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.105 -4.345 -1.233 1.00 0.00 C ATOM 1701 C ILE A 103 -13.746 -5.476 -2.044 1.00 0.00 C ATOM 1702 O ILE A 103 -14.605 -5.250 -2.872 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.955 -3.712 -2.026 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -11.636 -2.335 -1.440 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.351 -3.553 -3.495 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -12.793 -1.376 -1.726 1.00 0.00 C ATOM 0 H ILE A 103 -11.548 -4.910 0.109 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.859 -3.586 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.080 -4.358 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.473 -2.415 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.714 -1.948 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.526 -3.103 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.580 -4.531 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.229 -2.912 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.565 -0.396 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.934 -1.287 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.706 -1.761 -1.271 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.336 -6.694 -1.807 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.925 -7.838 -2.560 1.00 0.00 C ATOM 1720 C GLU A 104 -15.301 -8.175 -1.979 1.00 0.00 C ATOM 1721 O GLU A 104 -15.987 -9.059 -2.454 1.00 0.00 O ATOM 1722 CB GLU A 104 -13.010 -9.057 -2.436 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.553 -8.599 -2.353 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.627 -9.789 -2.610 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.970 -10.883 -2.192 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.590 -9.587 -3.220 1.00 0.00 O ATOM 0 H GLU A 104 -12.620 -6.945 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.028 -7.566 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.272 -9.632 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.146 -9.715 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.365 -7.814 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.350 -8.173 -1.370 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.709 -7.479 -0.953 1.00 0.00 N ATOM 1734 CA GLY A 105 -17.037 -7.761 -0.340 1.00 0.00 C ATOM 1735 C GLY A 105 -17.593 -6.478 0.270 1.00 0.00 C ATOM 1736 O GLY A 105 -18.466 -6.503 1.115 1.00 0.00 O ATOM 0 H GLY A 105 -15.179 -6.727 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.724 -8.146 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.941 -8.530 0.427 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.089 -5.358 -0.154 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.578 -4.062 0.392 1.00 0.00 C ATOM 1742 C LEU A 106 -18.776 -3.597 -0.425 1.00 0.00 C ATOM 1743 O LEU A 106 -18.816 -2.494 -0.932 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.464 -3.017 0.318 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.162 -2.490 1.720 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -14.936 -1.578 1.670 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.365 -1.697 2.238 1.00 0.00 C ATOM 0 H LEU A 106 -16.356 -5.281 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 106 -17.874 -4.191 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.567 -3.457 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.764 -2.196 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 106 -15.964 -3.329 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -14.721 -1.202 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.078 -2.141 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -15.133 -0.739 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.150 -1.321 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.563 -0.859 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -18.240 -2.346 2.275 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.754 -4.441 -0.550 1.00 0.00 N ATOM 1760 CA GLU A 107 -20.968 -4.075 -1.330 1.00 0.00 C ATOM 1761 C GLU A 107 -21.993 -3.421 -0.400 1.00 0.00 C ATOM 1762 O GLU A 107 -22.327 -3.949 0.642 1.00 0.00 O ATOM 1763 CB GLU A 107 -21.574 -5.335 -1.954 1.00 0.00 C ATOM 1764 CG GLU A 107 -20.740 -5.758 -3.165 1.00 0.00 C ATOM 1765 CD GLU A 107 -21.300 -7.059 -3.743 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -22.237 -6.983 -4.520 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -20.781 -8.109 -3.399 1.00 0.00 O ATOM 0 H GLU A 107 -19.768 -5.376 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 107 -20.695 -3.375 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -21.602 -6.140 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -22.604 -5.144 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -20.757 -4.975 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -19.699 -5.896 -2.872 1.00 0.00 H new ATOM 1774 N HIS A 108 -22.494 -2.275 -0.770 1.00 0.00 N ATOM 1775 CA HIS A 108 -23.496 -1.586 0.091 1.00 0.00 C ATOM 1776 C HIS A 108 -24.851 -2.285 -0.043 1.00 0.00 C ATOM 1777 O HIS A 108 -25.286 -2.614 -1.128 1.00 0.00 O ATOM 1778 CB HIS A 108 -23.628 -0.127 -0.353 1.00 0.00 C ATOM 1779 CG HIS A 108 -24.399 0.645 0.680 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -23.783 1.249 1.765 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -25.738 0.923 0.807 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -24.741 1.854 2.491 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -25.951 1.687 1.951 1.00 0.00 N ATOM 0 H HIS A 108 -22.253 -1.786 -1.632 1.00 0.00 H new ATOM 0 HA HIS A 108 -23.171 -1.623 1.131 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -22.640 0.313 -0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.136 -0.074 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -26.508 0.598 0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -24.554 2.407 3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -26.840 2.043 2.302 1.00 0.00 H new ATOM 1791 N HIS A 109 -25.521 -2.515 1.052 1.00 0.00 N ATOM 1792 CA HIS A 109 -26.846 -3.193 0.987 1.00 0.00 C ATOM 1793 C HIS A 109 -27.369 -3.426 2.405 1.00 0.00 C ATOM 1794 O HIS A 109 -26.680 -3.960 3.251 1.00 0.00 O ATOM 1795 CB HIS A 109 -26.697 -4.537 0.270 1.00 0.00 C ATOM 1796 CG HIS A 109 -27.251 -4.427 -1.124 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -28.365 -3.655 -1.417 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -26.857 -4.984 -2.315 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -28.601 -3.769 -2.736 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -27.711 -4.567 -3.332 1.00 0.00 N ATOM 0 H HIS A 109 -25.208 -2.263 1.989 1.00 0.00 H new ATOM 0 HA HIS A 109 -27.549 -2.566 0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -25.647 -4.827 0.233 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -27.224 -5.316 0.822 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -26.013 -5.645 -2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -29.412 -3.275 -3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -27.667 -4.817 -4.320 1.00 0.00 H new ATOM 1808 N HIS A 110 -28.583 -3.029 2.674 1.00 0.00 N ATOM 1809 CA HIS A 110 -29.148 -3.228 4.038 1.00 0.00 C ATOM 1810 C HIS A 110 -30.259 -4.278 3.982 1.00 0.00 C ATOM 1811 O HIS A 110 -30.834 -4.532 2.942 1.00 0.00 O ATOM 1812 CB HIS A 110 -29.721 -1.905 4.550 1.00 0.00 C ATOM 1813 CG HIS A 110 -28.728 -1.251 5.472 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -28.344 -1.827 6.673 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -28.030 -0.072 5.381 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -27.453 -1.000 7.253 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -27.225 0.084 6.506 1.00 0.00 N ATOM 0 H HIS A 110 -29.208 -2.575 2.008 1.00 0.00 H new ATOM 0 HA HIS A 110 -28.361 -3.568 4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -29.945 -1.245 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -30.659 -2.082 5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -28.096 0.628 4.561 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -26.981 -1.190 8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -26.596 0.859 6.715 1.00 0.00 H new ATOM 1825 N HIS A 111 -30.566 -4.889 5.093 1.00 0.00 N ATOM 1826 CA HIS A 111 -31.641 -5.922 5.102 1.00 0.00 C ATOM 1827 C HIS A 111 -32.468 -5.786 6.381 1.00 0.00 C ATOM 1828 O HIS A 111 -33.281 -6.631 6.698 1.00 0.00 O ATOM 1829 CB HIS A 111 -31.009 -7.315 5.049 1.00 0.00 C ATOM 1830 CG HIS A 111 -31.805 -8.189 4.121 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -31.293 -9.363 3.591 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -33.077 -8.075 3.618 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -32.245 -9.903 2.808 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -33.353 -9.158 2.790 1.00 0.00 N ATOM 0 H HIS A 111 -30.120 -4.718 5.994 1.00 0.00 H new ATOM 0 HA HIS A 111 -32.287 -5.782 4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -29.977 -7.245 4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -30.984 -7.753 6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -33.760 -7.267 3.833 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -32.127 -10.827 2.261 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -34.216 -9.343 2.279 1.00 0.00 H new ATOM 1842 N HIS A 112 -32.267 -4.729 7.120 1.00 0.00 N ATOM 1843 CA HIS A 112 -33.040 -4.541 8.380 1.00 0.00 C ATOM 1844 C HIS A 112 -34.467 -4.104 8.042 1.00 0.00 C ATOM 1845 O HIS A 112 -35.422 -4.554 8.645 1.00 0.00 O ATOM 1846 CB HIS A 112 -32.366 -3.465 9.234 1.00 0.00 C ATOM 1847 CG HIS A 112 -31.953 -4.055 10.553 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -32.868 -4.333 11.557 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -30.728 -4.424 11.051 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -32.185 -4.846 12.597 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -30.877 -4.923 12.341 1.00 0.00 N ATOM 0 H HIS A 112 -31.600 -3.987 6.905 1.00 0.00 H new ATOM 0 HA HIS A 112 -33.069 -5.480 8.933 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -31.495 -3.066 8.714 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -33.051 -2.632 9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -29.791 -4.340 10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -32.640 -5.158 13.526 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -30.144 -5.273 12.959 1.00 0.00 H new ATOM 1859 N HIS A 113 -34.621 -3.233 7.084 1.00 0.00 N ATOM 1860 CA HIS A 113 -35.988 -2.770 6.712 1.00 0.00 C ATOM 1861 C HIS A 113 -35.901 -1.846 5.495 1.00 0.00 C ATOM 1862 O HIS A 113 -34.854 -1.251 5.302 1.00 0.00 O ATOM 1863 CB HIS A 113 -36.605 -2.011 7.887 1.00 0.00 C ATOM 1864 CG HIS A 113 -38.010 -2.495 8.115 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -38.675 -2.295 9.315 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -38.891 -3.173 7.308 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -39.899 -2.842 9.198 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -40.082 -3.391 7.994 1.00 0.00 N ATOM 1869 OXT HIS A 113 -36.882 -1.752 4.776 1.00 0.00 O ATOM 0 H HIS A 113 -33.861 -2.822 6.543 1.00 0.00 H new ATOM 0 HA HIS A 113 -36.610 -3.631 6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -36.007 -2.162 8.786 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -36.607 -0.941 7.681 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -38.690 -3.489 6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -40.642 -2.838 9.982 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -40.916 -3.868 7.651 1.00 0.00 H new TER 1877 HIS A 113