USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 TYR OH : rot 180:sc=-0.00118 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 TYR OH : rot 80:sc= -2.6 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -168:sc= 0.31 (180deg=0) USER MOD Set 3.1: A 34 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-3.8!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 31 GLN :FLIP amide:sc= -0.345 F(o=-1.7,f=-0.34) USER MOD Set 5.1: A 24 ASN : amide:sc=-0.00276 K(o=-1.6,f=-3.8) USER MOD Set 5.2: A 28 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.5!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= -0.252 (180deg=-0.252) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 12 ASN : amide:sc= -2.04 K(o=-2,f=-8.6!) USER MOD Single : A 16 THR OG1 : rot -140:sc= -0.589 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 37 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.81) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.45 K(o=-3.4,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0457 (180deg=-0.352) USER MOD Single : A 55 SER OG : rot 180:sc= -0.156 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -0.206 (180deg=-1.19) USER MOD Single : A 84 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0371) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 0.0242 (180deg=0.00529) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -1.063 -21.755 -18.091 1.00 0.00 N ATOM 2 CA SER A 2 -1.811 -21.855 -16.804 1.00 0.00 C ATOM 3 C SER A 2 -2.886 -20.767 -16.753 1.00 0.00 C ATOM 4 O SER A 2 -3.163 -20.207 -15.710 1.00 0.00 O ATOM 5 CB SER A 2 -0.841 -21.669 -15.636 1.00 0.00 C ATOM 6 OG SER A 2 -1.372 -22.303 -14.481 1.00 0.00 O ATOM 0 HA SER A 2 -2.283 -22.835 -16.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.131 -22.094 -15.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.685 -20.608 -15.443 1.00 0.00 H new ATOM 0 HG SER A 2 -0.753 -22.187 -13.730 1.00 0.00 H new ATOM 12 N LYS A 3 -3.491 -20.467 -17.874 1.00 0.00 N ATOM 13 CA LYS A 3 -4.551 -19.418 -17.901 1.00 0.00 C ATOM 14 C LYS A 3 -5.164 -19.347 -19.302 1.00 0.00 C ATOM 15 O LYS A 3 -4.461 -19.269 -20.293 1.00 0.00 O ATOM 16 CB LYS A 3 -3.936 -18.062 -17.546 1.00 0.00 C ATOM 17 CG LYS A 3 -2.746 -17.782 -18.465 1.00 0.00 C ATOM 18 CD LYS A 3 -1.935 -16.611 -17.908 1.00 0.00 C ATOM 19 CE LYS A 3 -1.229 -15.886 -19.057 1.00 0.00 C ATOM 20 NZ LYS A 3 -2.125 -14.827 -19.601 1.00 0.00 N ATOM 0 H LYS A 3 -3.295 -20.906 -18.774 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.326 -19.667 -17.177 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.682 -17.274 -17.650 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.613 -18.059 -16.505 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.117 -18.669 -18.544 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.096 -17.550 -19.471 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.591 -15.921 -17.377 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.202 -16.973 -17.187 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.298 -15.443 -18.704 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.968 -16.595 -19.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.646 -14.334 -20.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.002 -15.261 -19.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.353 -14.145 -18.849 1.00 0.00 H new ATOM 34 N ARG A 4 -6.469 -19.374 -19.389 1.00 0.00 N ATOM 35 CA ARG A 4 -7.139 -19.309 -20.721 1.00 0.00 C ATOM 36 C ARG A 4 -7.203 -17.853 -21.189 1.00 0.00 C ATOM 37 O ARG A 4 -6.682 -17.506 -22.232 1.00 0.00 O ATOM 38 CB ARG A 4 -8.559 -19.873 -20.606 1.00 0.00 C ATOM 39 CG ARG A 4 -8.573 -21.333 -21.066 1.00 0.00 C ATOM 40 CD ARG A 4 -8.570 -21.391 -22.595 1.00 0.00 C ATOM 41 NE ARG A 4 -9.454 -22.506 -23.053 1.00 0.00 N ATOM 42 CZ ARG A 4 -9.891 -22.572 -24.296 1.00 0.00 C ATOM 43 NH1 ARG A 4 -9.567 -21.663 -25.188 1.00 0.00 N ATOM 44 NH2 ARG A 4 -10.664 -23.562 -24.648 1.00 0.00 N ATOM 0 H ARG A 4 -7.101 -19.439 -18.591 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.572 -19.897 -21.443 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.906 -19.803 -19.575 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.245 -19.283 -21.214 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.703 -21.857 -20.671 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.455 -21.839 -20.675 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.919 -20.444 -23.006 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.555 -21.543 -22.962 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.725 -23.232 -22.390 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.964 -20.883 -24.926 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.918 -21.737 -26.143 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.924 -24.274 -23.965 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.009 -23.624 -25.606 1.00 0.00 H new ATOM 58 N LYS A 5 -7.838 -17.002 -20.423 1.00 0.00 N ATOM 59 CA LYS A 5 -7.942 -15.566 -20.816 1.00 0.00 C ATOM 60 C LYS A 5 -7.307 -14.693 -19.731 1.00 0.00 C ATOM 61 O LYS A 5 -7.522 -14.900 -18.552 1.00 0.00 O ATOM 62 CB LYS A 5 -9.415 -15.187 -20.978 1.00 0.00 C ATOM 63 CG LYS A 5 -10.181 -15.552 -19.705 1.00 0.00 C ATOM 64 CD LYS A 5 -11.644 -15.128 -19.850 1.00 0.00 C ATOM 65 CE LYS A 5 -11.805 -13.682 -19.379 1.00 0.00 C ATOM 66 NZ LYS A 5 -13.185 -13.483 -18.851 1.00 0.00 N ATOM 0 H LYS A 5 -8.290 -17.242 -19.540 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.421 -15.409 -21.760 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.507 -14.119 -21.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.843 -15.708 -21.834 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.119 -16.625 -19.525 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.732 -15.058 -18.843 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.959 -15.220 -20.889 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.284 -15.786 -19.263 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.072 -13.457 -18.605 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.618 -12.996 -20.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.296 -12.500 -18.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.876 -13.682 -19.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.347 -14.128 -18.052 1.00 0.00 H new ATOM 80 N ALA A 6 -6.527 -13.718 -20.125 1.00 0.00 N ATOM 81 CA ALA A 6 -5.872 -12.824 -19.126 1.00 0.00 C ATOM 82 C ALA A 6 -6.835 -11.684 -18.753 1.00 0.00 C ATOM 83 O ALA A 6 -7.909 -11.588 -19.312 1.00 0.00 O ATOM 84 CB ALA A 6 -4.595 -12.236 -19.730 1.00 0.00 C ATOM 0 H ALA A 6 -6.316 -13.503 -21.100 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.621 -13.396 -18.233 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.115 -11.583 -19.001 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.914 -13.044 -19.997 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.845 -11.662 -20.622 1.00 0.00 H new ATOM 90 N PRO A 7 -6.429 -10.845 -17.817 1.00 0.00 N ATOM 91 CA PRO A 7 -7.245 -9.685 -17.342 1.00 0.00 C ATOM 92 C PRO A 7 -7.025 -8.469 -18.245 1.00 0.00 C ATOM 93 O PRO A 7 -5.918 -8.191 -18.667 1.00 0.00 O ATOM 94 CB PRO A 7 -6.706 -9.428 -15.942 1.00 0.00 C ATOM 95 CG PRO A 7 -5.289 -9.976 -15.894 1.00 0.00 C ATOM 96 CD PRO A 7 -5.109 -10.913 -17.091 1.00 0.00 C ATOM 0 HA PRO A 7 -8.318 -9.878 -17.355 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.713 -8.361 -15.718 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.332 -9.915 -15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.564 -9.163 -15.933 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.118 -10.512 -14.960 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.287 -10.590 -17.729 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.883 -11.930 -16.770 1.00 0.00 H new ATOM 104 N GLN A 8 -8.074 -7.745 -18.543 1.00 0.00 N ATOM 105 CA GLN A 8 -7.939 -6.545 -19.420 1.00 0.00 C ATOM 106 C GLN A 8 -7.044 -5.510 -18.737 1.00 0.00 C ATOM 107 O GLN A 8 -6.233 -4.863 -19.374 1.00 0.00 O ATOM 108 CB GLN A 8 -9.321 -5.938 -19.671 1.00 0.00 C ATOM 109 CG GLN A 8 -9.971 -6.628 -20.872 1.00 0.00 C ATOM 110 CD GLN A 8 -9.439 -6.011 -22.166 1.00 0.00 C ATOM 111 OE1 GLN A 8 -8.315 -6.260 -22.554 1.00 0.00 O ATOM 112 NE2 GLN A 8 -10.203 -5.210 -22.857 1.00 0.00 N ATOM 0 H GLN A 8 -9.021 -7.935 -18.215 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.493 -6.839 -20.370 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.948 -6.056 -18.787 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.231 -4.868 -19.858 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.756 -7.696 -20.851 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.055 -6.520 -20.824 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.147 -5.000 -22.533 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.856 -4.794 -23.721 1.00 0.00 H new ATOM 121 N GLU A 9 -7.186 -5.350 -17.445 1.00 0.00 N ATOM 122 CA GLU A 9 -6.347 -4.358 -16.711 1.00 0.00 C ATOM 123 C GLU A 9 -6.357 -4.687 -15.217 1.00 0.00 C ATOM 124 O GLU A 9 -7.337 -5.175 -14.688 1.00 0.00 O ATOM 125 CB GLU A 9 -6.913 -2.952 -16.927 1.00 0.00 C ATOM 126 CG GLU A 9 -6.255 -2.320 -18.154 1.00 0.00 C ATOM 127 CD GLU A 9 -6.411 -0.799 -18.089 1.00 0.00 C ATOM 128 OE1 GLU A 9 -7.523 -0.346 -17.877 1.00 0.00 O ATOM 129 OE2 GLU A 9 -5.415 -0.113 -18.253 1.00 0.00 O ATOM 0 H GLU A 9 -7.849 -5.866 -16.867 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.324 -4.400 -17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.993 -3.001 -17.065 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.732 -2.336 -16.046 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.199 -2.587 -18.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.714 -2.705 -19.065 1.00 0.00 H new ATOM 136 N THR A 10 -5.271 -4.420 -14.536 1.00 0.00 N ATOM 137 CA THR A 10 -5.207 -4.713 -13.074 1.00 0.00 C ATOM 138 C THR A 10 -5.868 -3.573 -12.297 1.00 0.00 C ATOM 139 O THR A 10 -6.338 -2.610 -12.873 1.00 0.00 O ATOM 140 CB THR A 10 -3.744 -4.845 -12.641 1.00 0.00 C ATOM 141 OG1 THR A 10 -3.681 -4.994 -11.230 1.00 0.00 O ATOM 142 CG2 THR A 10 -2.969 -3.595 -13.061 1.00 0.00 C ATOM 0 H THR A 10 -4.425 -4.011 -14.932 1.00 0.00 H new ATOM 0 HA THR A 10 -5.731 -5.646 -12.868 1.00 0.00 H new ATOM 0 HB THR A 10 -3.301 -5.719 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.745 -5.080 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.928 -3.691 -12.752 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.017 -3.484 -14.144 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.409 -2.718 -12.587 1.00 0.00 H new ATOM 150 N LEU A 11 -5.905 -3.676 -10.992 1.00 0.00 N ATOM 151 CA LEU A 11 -6.534 -2.602 -10.168 1.00 0.00 C ATOM 152 C LEU A 11 -5.447 -1.854 -9.391 1.00 0.00 C ATOM 153 O LEU A 11 -5.159 -0.706 -9.667 1.00 0.00 O ATOM 154 CB LEU A 11 -7.537 -3.223 -9.190 1.00 0.00 C ATOM 155 CG LEU A 11 -8.518 -4.114 -9.955 1.00 0.00 C ATOM 156 CD1 LEU A 11 -9.330 -4.949 -8.963 1.00 0.00 C ATOM 157 CD2 LEU A 11 -9.465 -3.240 -10.785 1.00 0.00 C ATOM 0 H LEU A 11 -5.525 -4.460 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.058 -1.903 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.010 -3.809 -8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.079 -2.438 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.963 -4.777 -10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.029 -5.584 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.656 -5.572 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.884 -4.287 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.163 -3.876 -11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.020 -2.575 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.886 -2.647 -11.493 1.00 0.00 H new ATOM 169 N ASN A 12 -4.843 -2.499 -8.424 1.00 0.00 N ATOM 170 CA ASN A 12 -3.773 -1.832 -7.625 1.00 0.00 C ATOM 171 C ASN A 12 -2.569 -2.773 -7.507 1.00 0.00 C ATOM 172 O ASN A 12 -2.039 -2.991 -6.433 1.00 0.00 O ATOM 173 CB ASN A 12 -4.311 -1.502 -6.230 1.00 0.00 C ATOM 174 CG ASN A 12 -5.322 -0.358 -6.329 1.00 0.00 C ATOM 175 OD1 ASN A 12 -4.946 0.790 -6.456 1.00 0.00 O ATOM 176 ND2 ASN A 12 -6.598 -0.625 -6.277 1.00 0.00 N ATOM 0 H ASN A 12 -5.047 -3.461 -8.154 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.465 -0.910 -8.119 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.784 -2.382 -5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.491 -1.220 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.280 0.130 -6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.913 -1.589 -6.170 1.00 0.00 H new ATOM 183 N GLY A 13 -2.136 -3.333 -8.609 1.00 0.00 N ATOM 184 CA GLY A 13 -0.971 -4.264 -8.577 1.00 0.00 C ATOM 185 C GLY A 13 0.346 -3.493 -8.765 1.00 0.00 C ATOM 186 O GLY A 13 1.415 -4.067 -8.675 1.00 0.00 O ATOM 0 H GLY A 13 -2.542 -3.183 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.953 -4.799 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.075 -5.012 -9.363 1.00 0.00 H new ATOM 190 N GLY A 14 0.286 -2.205 -9.019 1.00 0.00 N ATOM 191 CA GLY A 14 1.540 -1.418 -9.202 1.00 0.00 C ATOM 192 C GLY A 14 1.972 -0.859 -7.851 1.00 0.00 C ATOM 193 O GLY A 14 3.146 -0.794 -7.534 1.00 0.00 O ATOM 0 H GLY A 14 -0.578 -1.670 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.325 -2.050 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.376 -0.607 -9.911 1.00 0.00 H new ATOM 197 N ILE A 15 1.020 -0.458 -7.052 1.00 0.00 N ATOM 198 CA ILE A 15 1.343 0.101 -5.711 1.00 0.00 C ATOM 199 C ILE A 15 1.957 -0.998 -4.846 1.00 0.00 C ATOM 200 O ILE A 15 2.926 -0.780 -4.143 1.00 0.00 O ATOM 201 CB ILE A 15 0.062 0.611 -5.038 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.768 1.448 -6.032 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.438 1.474 -3.835 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.127 0.779 -6.257 1.00 0.00 C ATOM 0 H ILE A 15 0.025 -0.495 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 15 2.046 0.926 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.535 -0.241 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.908 2.457 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.236 1.540 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.468 1.840 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.012 0.879 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.039 2.320 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.712 1.372 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.977 -0.221 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.660 0.710 -5.309 1.00 0.00 H new ATOM 216 N THR A 16 1.395 -2.182 -4.893 1.00 0.00 N ATOM 217 CA THR A 16 1.930 -3.311 -4.075 1.00 0.00 C ATOM 218 C THR A 16 3.403 -3.556 -4.422 1.00 0.00 C ATOM 219 O THR A 16 4.195 -3.918 -3.574 1.00 0.00 O ATOM 220 CB THR A 16 1.118 -4.579 -4.358 1.00 0.00 C ATOM 221 OG1 THR A 16 1.681 -5.669 -3.641 1.00 0.00 O ATOM 222 CG2 THR A 16 1.143 -4.887 -5.858 1.00 0.00 C ATOM 0 H THR A 16 0.584 -2.414 -5.467 1.00 0.00 H new ATOM 0 HA THR A 16 1.850 -3.056 -3.018 1.00 0.00 H new ATOM 0 HB THR A 16 0.087 -4.425 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.665 -6.473 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.564 -5.790 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.710 -4.052 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.173 -5.039 -6.181 1.00 0.00 H new ATOM 230 N ASP A 17 3.769 -3.355 -5.663 1.00 0.00 N ATOM 231 CA ASP A 17 5.188 -3.568 -6.074 1.00 0.00 C ATOM 232 C ASP A 17 6.081 -2.569 -5.335 1.00 0.00 C ATOM 233 O ASP A 17 7.223 -2.854 -5.025 1.00 0.00 O ATOM 234 CB ASP A 17 5.321 -3.354 -7.583 1.00 0.00 C ATOM 235 CG ASP A 17 4.951 -4.644 -8.316 1.00 0.00 C ATOM 236 OD1 ASP A 17 3.805 -5.051 -8.217 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.820 -5.204 -8.965 1.00 0.00 O ATOM 0 H ASP A 17 3.144 -3.052 -6.410 1.00 0.00 H new ATOM 0 HA ASP A 17 5.493 -4.585 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.670 -2.541 -7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.341 -3.062 -7.831 1.00 0.00 H new ATOM 242 N MET A 18 5.563 -1.402 -5.048 1.00 0.00 N ATOM 243 CA MET A 18 6.368 -0.374 -4.324 1.00 0.00 C ATOM 244 C MET A 18 6.190 -0.542 -2.811 1.00 0.00 C ATOM 245 O MET A 18 7.028 -0.124 -2.033 1.00 0.00 O ATOM 246 CB MET A 18 5.900 1.023 -4.740 1.00 0.00 C ATOM 247 CG MET A 18 6.349 1.307 -6.174 1.00 0.00 C ATOM 248 SD MET A 18 8.065 1.883 -6.165 1.00 0.00 S ATOM 249 CE MET A 18 7.711 3.649 -5.985 1.00 0.00 C ATOM 0 H MET A 18 4.613 -1.116 -5.285 1.00 0.00 H new ATOM 0 HA MET A 18 7.421 -0.499 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.815 1.091 -4.668 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.312 1.772 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.260 0.405 -6.780 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.704 2.060 -6.626 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.647 4.207 -5.957 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.112 3.988 -6.830 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.160 3.817 -5.060 1.00 0.00 H new ATOM 259 N LEU A 19 5.114 -1.166 -2.387 1.00 0.00 N ATOM 260 CA LEU A 19 4.889 -1.370 -0.929 1.00 0.00 C ATOM 261 C LEU A 19 5.661 -2.611 -0.502 1.00 0.00 C ATOM 262 O LEU A 19 6.223 -2.674 0.574 1.00 0.00 O ATOM 263 CB LEU A 19 3.394 -1.583 -0.662 1.00 0.00 C ATOM 264 CG LEU A 19 2.688 -0.225 -0.498 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.427 -0.189 -1.368 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.286 -0.025 0.966 1.00 0.00 C ATOM 0 H LEU A 19 4.384 -1.541 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 19 5.227 -0.498 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.945 -2.138 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.259 -2.183 0.238 1.00 0.00 H new ATOM 0 HG LEU A 19 3.370 0.568 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.930 0.774 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.702 -0.329 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.750 -0.987 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.787 0.937 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.608 -0.823 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.177 -0.047 1.594 1.00 0.00 H new ATOM 278 N VAL A 20 5.692 -3.593 -1.359 1.00 0.00 N ATOM 279 CA VAL A 20 6.425 -4.846 -1.051 1.00 0.00 C ATOM 280 C VAL A 20 7.930 -4.592 -1.189 1.00 0.00 C ATOM 281 O VAL A 20 8.735 -5.213 -0.522 1.00 0.00 O ATOM 282 CB VAL A 20 5.986 -5.926 -2.043 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.680 -7.242 -1.711 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.470 -6.117 -1.952 1.00 0.00 C ATOM 0 H VAL A 20 5.234 -3.578 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 20 6.209 -5.173 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 20 6.257 -5.618 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.365 -8.008 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.760 -7.110 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.412 -7.550 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.157 -6.886 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.202 -6.422 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.970 -5.179 -2.192 1.00 0.00 H new ATOM 294 N GLU A 21 8.309 -3.684 -2.053 1.00 0.00 N ATOM 295 CA GLU A 21 9.756 -3.381 -2.245 1.00 0.00 C ATOM 296 C GLU A 21 10.330 -2.768 -0.965 1.00 0.00 C ATOM 297 O GLU A 21 11.196 -3.345 -0.326 1.00 0.00 O ATOM 298 CB GLU A 21 9.919 -2.391 -3.400 1.00 0.00 C ATOM 299 CG GLU A 21 11.397 -2.301 -3.790 1.00 0.00 C ATOM 300 CD GLU A 21 11.528 -1.572 -5.129 1.00 0.00 C ATOM 301 OE1 GLU A 21 11.124 -2.139 -6.131 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.030 -0.460 -5.130 1.00 0.00 O ATOM 0 H GLU A 21 7.674 -3.138 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 21 10.290 -4.303 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.325 -2.713 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.549 -1.409 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.956 -1.771 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.826 -3.300 -3.864 1.00 0.00 H new ATOM 309 N LEU A 22 9.860 -1.605 -0.582 1.00 0.00 N ATOM 310 CA LEU A 22 10.390 -0.965 0.656 1.00 0.00 C ATOM 311 C LEU A 22 10.039 -1.839 1.866 1.00 0.00 C ATOM 312 O LEU A 22 10.760 -1.879 2.842 1.00 0.00 O ATOM 313 CB LEU A 22 9.803 0.451 0.811 1.00 0.00 C ATOM 314 CG LEU A 22 8.307 0.391 1.147 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.126 0.301 2.671 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.620 1.654 0.621 1.00 0.00 C ATOM 0 H LEU A 22 9.137 -1.077 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 22 11.474 -0.875 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.335 0.985 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.950 1.013 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 22 7.862 -0.487 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.063 0.258 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.618 -0.598 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.569 1.178 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.557 1.615 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.064 2.532 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.749 1.715 -0.460 1.00 0.00 H new ATOM 328 N ALA A 23 8.931 -2.546 1.799 1.00 0.00 N ATOM 329 CA ALA A 23 8.518 -3.432 2.935 1.00 0.00 C ATOM 330 C ALA A 23 9.676 -4.363 3.305 1.00 0.00 C ATOM 331 O ALA A 23 10.016 -4.517 4.463 1.00 0.00 O ATOM 332 CB ALA A 23 7.309 -4.271 2.515 1.00 0.00 C ATOM 0 H ALA A 23 8.294 -2.546 1.002 1.00 0.00 H new ATOM 0 HA ALA A 23 8.255 -2.817 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.009 -4.915 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.483 -3.611 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.573 -4.885 1.654 1.00 0.00 H new ATOM 338 N ASN A 24 10.299 -4.966 2.322 1.00 0.00 N ATOM 339 CA ASN A 24 11.454 -5.867 2.601 1.00 0.00 C ATOM 340 C ASN A 24 12.568 -5.034 3.239 1.00 0.00 C ATOM 341 O ASN A 24 13.263 -5.480 4.129 1.00 0.00 O ATOM 342 CB ASN A 24 11.950 -6.488 1.288 1.00 0.00 C ATOM 343 CG ASN A 24 12.086 -8.003 1.450 1.00 0.00 C ATOM 344 OD1 ASN A 24 13.174 -8.540 1.371 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.020 -8.721 1.675 1.00 0.00 N ATOM 0 H ASN A 24 10.054 -4.871 1.336 1.00 0.00 H new ATOM 0 HA ASN A 24 11.156 -6.669 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.253 -6.260 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.911 -6.055 1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.100 -9.732 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.107 -8.271 1.741 1.00 0.00 H new ATOM 352 N PHE A 25 12.721 -3.813 2.791 1.00 0.00 N ATOM 353 CA PHE A 25 13.768 -2.920 3.368 1.00 0.00 C ATOM 354 C PHE A 25 13.481 -2.670 4.853 1.00 0.00 C ATOM 355 O PHE A 25 14.362 -2.295 5.602 1.00 0.00 O ATOM 356 CB PHE A 25 13.759 -1.586 2.619 1.00 0.00 C ATOM 357 CG PHE A 25 15.031 -0.830 2.912 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.259 -1.325 2.456 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.984 0.365 3.639 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.440 -0.624 2.729 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.165 1.066 3.911 1.00 0.00 C ATOM 362 CZ PHE A 25 17.393 0.572 3.456 1.00 0.00 C ATOM 0 H PHE A 25 12.162 -3.396 2.047 1.00 0.00 H new ATOM 0 HA PHE A 25 14.743 -3.396 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.667 -1.760 1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.895 -0.994 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.295 -2.247 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.037 0.746 3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.388 -1.006 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.128 1.988 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.304 1.113 3.666 1.00 0.00 H new ATOM 372 N GLU A 26 12.260 -2.875 5.285 1.00 0.00 N ATOM 373 CA GLU A 26 11.928 -2.646 6.726 1.00 0.00 C ATOM 374 C GLU A 26 12.410 -3.845 7.546 1.00 0.00 C ATOM 375 O GLU A 26 13.200 -3.703 8.461 1.00 0.00 O ATOM 376 CB GLU A 26 10.408 -2.479 6.920 1.00 0.00 C ATOM 377 CG GLU A 26 9.774 -1.677 5.767 1.00 0.00 C ATOM 378 CD GLU A 26 10.476 -0.322 5.605 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.659 -0.320 5.309 1.00 0.00 O ATOM 380 OE2 GLU A 26 9.813 0.688 5.776 1.00 0.00 O ATOM 0 H GLU A 26 11.482 -3.190 4.705 1.00 0.00 H new ATOM 0 HA GLU A 26 12.423 -1.733 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.939 -3.461 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.215 -1.973 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.847 -2.244 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.713 -1.522 5.964 1.00 0.00 H new ATOM 387 N LYS A 27 11.942 -5.025 7.221 1.00 0.00 N ATOM 388 CA LYS A 27 12.371 -6.240 7.976 1.00 0.00 C ATOM 389 C LYS A 27 13.845 -6.528 7.684 1.00 0.00 C ATOM 390 O LYS A 27 14.594 -6.917 8.559 1.00 0.00 O ATOM 391 CB LYS A 27 11.522 -7.439 7.543 1.00 0.00 C ATOM 392 CG LYS A 27 11.857 -8.648 8.423 1.00 0.00 C ATOM 393 CD LYS A 27 11.821 -9.925 7.580 1.00 0.00 C ATOM 394 CE LYS A 27 10.449 -10.591 7.711 1.00 0.00 C ATOM 395 NZ LYS A 27 10.615 -12.072 7.720 1.00 0.00 N ATOM 0 H LYS A 27 11.280 -5.198 6.464 1.00 0.00 H new ATOM 0 HA LYS A 27 12.238 -6.068 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.463 -7.197 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.713 -7.674 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.844 -8.523 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.143 -8.722 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.023 -9.688 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.602 -10.611 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.960 -10.264 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.807 -10.291 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.683 -12.525 7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.065 -12.376 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.213 -12.349 8.524 1.00 0.00 H new ATOM 409 N ASN A 28 14.267 -6.333 6.457 1.00 0.00 N ATOM 410 CA ASN A 28 15.697 -6.586 6.097 1.00 0.00 C ATOM 411 C ASN A 28 16.609 -5.708 6.961 1.00 0.00 C ATOM 412 O ASN A 28 17.746 -6.050 7.221 1.00 0.00 O ATOM 413 CB ASN A 28 15.917 -6.251 4.620 1.00 0.00 C ATOM 414 CG ASN A 28 15.260 -7.323 3.749 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.221 -7.850 4.094 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.825 -7.670 2.624 1.00 0.00 N ATOM 0 H ASN A 28 13.680 -6.009 5.688 1.00 0.00 H new ATOM 0 HA ASN A 28 15.934 -7.635 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.494 -5.273 4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.984 -6.196 4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.394 -8.383 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.697 -7.228 2.334 1.00 0.00 H new ATOM 423 N VAL A 29 16.109 -4.586 7.413 1.00 0.00 N ATOM 424 CA VAL A 29 16.929 -3.684 8.268 1.00 0.00 C ATOM 425 C VAL A 29 16.727 -4.095 9.735 1.00 0.00 C ATOM 426 O VAL A 29 15.813 -4.832 10.058 1.00 0.00 O ATOM 427 CB VAL A 29 16.485 -2.231 8.030 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.172 -1.284 9.021 1.00 0.00 C ATOM 429 CG2 VAL A 29 16.868 -1.822 6.606 1.00 0.00 C ATOM 0 H VAL A 29 15.162 -4.257 7.224 1.00 0.00 H new ATOM 0 HA VAL A 29 17.988 -3.762 8.022 1.00 0.00 H new ATOM 0 HB VAL A 29 15.406 -2.166 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.843 -0.262 8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.909 -1.570 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.253 -1.347 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.557 -0.793 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.948 -1.902 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.372 -2.480 5.893 1.00 0.00 H new ATOM 439 N SER A 30 17.587 -3.647 10.615 1.00 0.00 N ATOM 440 CA SER A 30 17.467 -4.033 12.053 1.00 0.00 C ATOM 441 C SER A 30 16.349 -3.243 12.743 1.00 0.00 C ATOM 442 O SER A 30 15.328 -3.796 13.110 1.00 0.00 O ATOM 443 CB SER A 30 18.798 -3.760 12.761 1.00 0.00 C ATOM 444 OG SER A 30 19.096 -4.843 13.631 1.00 0.00 O ATOM 0 H SER A 30 18.369 -3.029 10.398 1.00 0.00 H new ATOM 0 HA SER A 30 17.222 -5.094 12.109 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.595 -3.637 12.028 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.739 -2.830 13.326 1.00 0.00 H new ATOM 0 HG SER A 30 19.948 -4.673 14.085 1.00 0.00 H new ATOM 450 N GLN A 31 16.541 -1.963 12.946 1.00 0.00 N ATOM 451 CA GLN A 31 15.502 -1.145 13.640 1.00 0.00 C ATOM 452 C GLN A 31 14.428 -0.680 12.645 1.00 0.00 C ATOM 453 O GLN A 31 14.217 0.504 12.455 1.00 0.00 O ATOM 454 CB GLN A 31 16.170 0.073 14.286 1.00 0.00 C ATOM 455 CG GLN A 31 16.550 -0.259 15.730 1.00 0.00 C ATOM 456 CD GLN A 31 17.721 -1.244 15.737 1.00 0.00 C ATOM 457 OE1 GLN A 31 17.490 -2.513 15.531 1.00 0.00 O flip ATOM 458 NE2 GLN A 31 18.856 -0.856 15.931 1.00 0.00 N flip ATOM 0 H GLN A 31 17.375 -1.449 12.660 1.00 0.00 H new ATOM 0 HA GLN A 31 15.022 -1.755 14.406 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.058 0.356 13.721 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.493 0.927 14.264 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.824 0.651 16.264 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.696 -0.690 16.252 1.00 0.00 H new ATOM 0 HE21 GLN A 31 19.036 0.135 16.092 1.00 0.00 H new ATOM 0 HE22 GLN A 31 19.629 -1.521 15.933 1.00 0.00 H new ATOM 467 N ALA A 32 13.739 -1.604 12.021 1.00 0.00 N ATOM 468 CA ALA A 32 12.673 -1.212 11.053 1.00 0.00 C ATOM 469 C ALA A 32 11.585 -2.293 11.011 1.00 0.00 C ATOM 470 O ALA A 32 11.396 -2.960 10.010 1.00 0.00 O ATOM 471 CB ALA A 32 13.283 -1.033 9.662 1.00 0.00 C ATOM 0 H ALA A 32 13.869 -2.609 12.141 1.00 0.00 H new ATOM 0 HA ALA A 32 12.226 -0.271 11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.503 -0.747 8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.045 -0.254 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.737 -1.970 9.340 1.00 0.00 H new ATOM 477 N ILE A 33 10.863 -2.464 12.091 1.00 0.00 N ATOM 478 CA ILE A 33 9.782 -3.493 12.118 1.00 0.00 C ATOM 479 C ILE A 33 8.417 -2.781 12.149 1.00 0.00 C ATOM 480 O ILE A 33 7.445 -3.270 11.617 1.00 0.00 O ATOM 481 CB ILE A 33 10.014 -4.440 13.338 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.177 -5.883 12.841 1.00 0.00 C ATOM 483 CG2 ILE A 33 8.860 -4.399 14.353 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.387 -5.981 11.907 1.00 0.00 C ATOM 0 H ILE A 33 10.977 -1.934 12.955 1.00 0.00 H new ATOM 0 HA ILE A 33 9.798 -4.116 11.224 1.00 0.00 H new ATOM 0 HB ILE A 33 10.915 -4.091 13.843 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.306 -6.556 13.689 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.276 -6.200 12.317 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.077 -5.077 15.178 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.748 -3.385 14.736 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.935 -4.706 13.865 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.496 -7.008 11.559 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.241 -5.321 11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.287 -5.683 12.445 1.00 0.00 H new ATOM 496 N HIS A 34 8.347 -1.629 12.763 1.00 0.00 N ATOM 497 CA HIS A 34 7.043 -0.880 12.814 1.00 0.00 C ATOM 498 C HIS A 34 6.614 -0.541 11.383 1.00 0.00 C ATOM 499 O HIS A 34 5.487 -0.785 10.981 1.00 0.00 O ATOM 500 CB HIS A 34 7.168 0.422 13.639 1.00 0.00 C ATOM 501 CG HIS A 34 8.521 1.063 13.447 1.00 0.00 C ATOM 502 ND1 HIS A 34 9.597 0.751 14.261 1.00 0.00 N ATOM 503 CD2 HIS A 34 8.990 1.980 12.540 1.00 0.00 C ATOM 504 CE1 HIS A 34 10.651 1.464 13.831 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.338 2.232 12.785 1.00 0.00 N ATOM 0 H HIS A 34 9.129 -1.171 13.231 1.00 0.00 H new ATOM 0 HA HIS A 34 6.298 -1.511 13.299 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.386 1.121 13.341 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.013 0.202 14.695 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.404 2.436 11.756 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.633 1.421 14.278 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.953 2.866 12.275 1.00 0.00 H new ATOM 513 N LYS A 35 7.516 -0.001 10.606 1.00 0.00 N ATOM 514 CA LYS A 35 7.186 0.343 9.191 1.00 0.00 C ATOM 515 C LYS A 35 7.027 -0.947 8.373 1.00 0.00 C ATOM 516 O LYS A 35 6.408 -0.949 7.329 1.00 0.00 O ATOM 517 CB LYS A 35 8.299 1.207 8.579 1.00 0.00 C ATOM 518 CG LYS A 35 9.682 0.605 8.887 1.00 0.00 C ATOM 519 CD LYS A 35 10.489 1.572 9.766 1.00 0.00 C ATOM 520 CE LYS A 35 11.537 2.294 8.915 1.00 0.00 C ATOM 521 NZ LYS A 35 12.186 3.362 9.726 1.00 0.00 N ATOM 0 H LYS A 35 8.471 0.217 10.892 1.00 0.00 H new ATOM 0 HA LYS A 35 6.253 0.906 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.160 1.279 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.241 2.220 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.567 -0.352 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.218 0.410 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.822 2.298 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.977 1.024 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.286 1.585 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.068 2.728 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.898 3.853 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.467 4.044 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.647 2.936 10.555 1.00 0.00 H new ATOM 535 N TYR A 36 7.577 -2.046 8.843 1.00 0.00 N ATOM 536 CA TYR A 36 7.452 -3.337 8.095 1.00 0.00 C ATOM 537 C TYR A 36 5.968 -3.676 7.897 1.00 0.00 C ATOM 538 O TYR A 36 5.454 -3.615 6.797 1.00 0.00 O ATOM 539 CB TYR A 36 8.140 -4.448 8.898 1.00 0.00 C ATOM 540 CG TYR A 36 8.087 -5.755 8.142 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.465 -5.809 6.795 1.00 0.00 C ATOM 542 CD2 TYR A 36 7.663 -6.917 8.796 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.417 -7.022 6.103 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.615 -8.131 8.106 1.00 0.00 C ATOM 545 CZ TYR A 36 7.992 -8.185 6.758 1.00 0.00 C ATOM 546 OH TYR A 36 7.944 -9.384 6.076 1.00 0.00 O ATOM 0 H TYR A 36 8.107 -2.102 9.713 1.00 0.00 H new ATOM 0 HA TYR A 36 7.927 -3.246 7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.177 -4.175 9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.652 -4.561 9.866 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.794 -4.913 6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.372 -6.875 9.835 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.707 -7.063 5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.287 -9.027 8.612 1.00 0.00 H new ATOM 0 HH TYR A 36 7.628 -10.090 6.678 1.00 0.00 H new ATOM 556 N ASN A 37 5.274 -4.021 8.957 1.00 0.00 N ATOM 557 CA ASN A 37 3.818 -4.355 8.843 1.00 0.00 C ATOM 558 C ASN A 37 3.072 -3.216 8.131 1.00 0.00 C ATOM 559 O ASN A 37 2.042 -3.426 7.518 1.00 0.00 O ATOM 560 CB ASN A 37 3.230 -4.548 10.242 1.00 0.00 C ATOM 561 CG ASN A 37 3.600 -5.939 10.763 1.00 0.00 C ATOM 562 OD1 ASN A 37 4.764 -6.254 10.915 1.00 0.00 O ATOM 563 ND2 ASN A 37 2.652 -6.790 11.047 1.00 0.00 N ATOM 0 H ASN A 37 5.656 -4.086 9.901 1.00 0.00 H new ATOM 0 HA ASN A 37 3.706 -5.273 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.611 -3.782 10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.146 -4.436 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.888 -7.719 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.675 -6.526 10.920 1.00 0.00 H new ATOM 570 N ALA A 38 3.597 -2.015 8.198 1.00 0.00 N ATOM 571 CA ALA A 38 2.943 -0.853 7.518 1.00 0.00 C ATOM 572 C ALA A 38 2.740 -1.167 6.028 1.00 0.00 C ATOM 573 O ALA A 38 1.641 -1.094 5.509 1.00 0.00 O ATOM 574 CB ALA A 38 3.853 0.371 7.654 1.00 0.00 C ATOM 0 H ALA A 38 4.457 -1.789 8.698 1.00 0.00 H new ATOM 0 HA ALA A 38 1.974 -0.658 7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.389 1.226 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.004 0.597 8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.815 0.163 7.187 1.00 0.00 H new ATOM 580 N TYR A 39 3.797 -1.512 5.341 1.00 0.00 N ATOM 581 CA TYR A 39 3.684 -1.821 3.886 1.00 0.00 C ATOM 582 C TYR A 39 3.397 -3.311 3.685 1.00 0.00 C ATOM 583 O TYR A 39 2.763 -3.701 2.723 1.00 0.00 O ATOM 584 CB TYR A 39 4.994 -1.449 3.188 1.00 0.00 C ATOM 585 CG TYR A 39 5.225 0.039 3.313 1.00 0.00 C ATOM 586 CD1 TYR A 39 5.648 0.586 4.531 1.00 0.00 C ATOM 587 CD2 TYR A 39 5.019 0.874 2.209 1.00 0.00 C ATOM 588 CE1 TYR A 39 5.861 1.964 4.646 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.233 2.252 2.323 1.00 0.00 C ATOM 590 CZ TYR A 39 5.655 2.797 3.542 1.00 0.00 C ATOM 591 OH TYR A 39 5.865 4.157 3.655 1.00 0.00 O ATOM 0 H TYR A 39 4.738 -1.593 5.727 1.00 0.00 H new ATOM 0 HA TYR A 39 2.864 -1.244 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.825 -1.996 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.953 -1.735 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.810 -0.057 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.695 0.454 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.184 2.384 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.073 2.896 1.471 1.00 0.00 H new ATOM 0 HH TYR A 39 6.824 4.346 3.589 1.00 0.00 H new ATOM 601 N ARG A 40 3.860 -4.146 4.582 1.00 0.00 N ATOM 602 CA ARG A 40 3.615 -5.613 4.442 1.00 0.00 C ATOM 603 C ARG A 40 2.109 -5.885 4.513 1.00 0.00 C ATOM 604 O ARG A 40 1.570 -6.645 3.731 1.00 0.00 O ATOM 605 CB ARG A 40 4.334 -6.362 5.574 1.00 0.00 C ATOM 606 CG ARG A 40 5.128 -7.538 4.998 1.00 0.00 C ATOM 607 CD ARG A 40 4.164 -8.561 4.393 1.00 0.00 C ATOM 608 NE ARG A 40 4.836 -9.269 3.260 1.00 0.00 N ATOM 609 CZ ARG A 40 4.204 -10.181 2.547 1.00 0.00 C ATOM 610 NH1 ARG A 40 2.956 -10.508 2.798 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.832 -10.771 1.567 1.00 0.00 N ATOM 0 H ARG A 40 4.397 -3.874 5.405 1.00 0.00 H new ATOM 0 HA ARG A 40 3.999 -5.960 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.004 -5.684 6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.607 -6.724 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.822 -7.183 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.725 -8.005 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.855 -9.279 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.261 -8.062 4.040 1.00 0.00 H new ATOM 0 HE ARG A 40 5.804 -9.042 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.453 -10.053 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.491 -11.217 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.800 -10.525 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.355 -11.478 1.008 1.00 0.00 H new ATOM 625 N LYS A 41 1.431 -5.268 5.447 1.00 0.00 N ATOM 626 CA LYS A 41 -0.040 -5.486 5.579 1.00 0.00 C ATOM 627 C LYS A 41 -0.774 -4.717 4.477 1.00 0.00 C ATOM 628 O LYS A 41 -1.712 -5.216 3.883 1.00 0.00 O ATOM 629 CB LYS A 41 -0.508 -4.990 6.951 1.00 0.00 C ATOM 630 CG LYS A 41 -1.582 -5.933 7.498 1.00 0.00 C ATOM 631 CD LYS A 41 -1.777 -5.674 8.993 1.00 0.00 C ATOM 632 CE LYS A 41 -0.734 -6.462 9.788 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.198 -7.867 9.962 1.00 0.00 N ATOM 0 H LYS A 41 1.834 -4.621 6.125 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.259 -6.549 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.336 -4.945 7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.906 -3.979 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.521 -5.779 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.289 -6.970 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.682 -4.609 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.781 -5.970 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.224 -6.446 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.576 -5.997 10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.489 -8.402 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.102 -7.873 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.328 -8.308 9.029 1.00 0.00 H new ATOM 647 N ALA A 42 -0.357 -3.507 4.203 1.00 0.00 N ATOM 648 CA ALA A 42 -1.029 -2.700 3.140 1.00 0.00 C ATOM 649 C ALA A 42 -0.869 -3.398 1.788 1.00 0.00 C ATOM 650 O ALA A 42 -1.822 -3.572 1.054 1.00 0.00 O ATOM 651 CB ALA A 42 -0.393 -1.310 3.073 1.00 0.00 C ATOM 0 H ALA A 42 0.421 -3.042 4.671 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.089 -2.604 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.884 -0.722 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.509 -0.810 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.667 -1.406 2.839 1.00 0.00 H new ATOM 657 N ALA A 43 0.332 -3.797 1.455 1.00 0.00 N ATOM 658 CA ALA A 43 0.565 -4.484 0.150 1.00 0.00 C ATOM 659 C ALA A 43 -0.229 -5.792 0.101 1.00 0.00 C ATOM 660 O ALA A 43 -0.588 -6.266 -0.959 1.00 0.00 O ATOM 661 CB ALA A 43 2.056 -4.791 -0.005 1.00 0.00 C ATOM 0 H ALA A 43 1.164 -3.676 2.033 1.00 0.00 H new ATOM 0 HA ALA A 43 0.237 -3.833 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.227 -5.293 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.624 -3.861 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.381 -5.438 0.809 1.00 0.00 H new ATOM 667 N SER A 44 -0.498 -6.381 1.239 1.00 0.00 N ATOM 668 CA SER A 44 -1.262 -7.665 1.261 1.00 0.00 C ATOM 669 C SER A 44 -2.748 -7.396 1.007 1.00 0.00 C ATOM 670 O SER A 44 -3.364 -8.024 0.166 1.00 0.00 O ATOM 671 CB SER A 44 -1.094 -8.332 2.627 1.00 0.00 C ATOM 672 OG SER A 44 -1.307 -9.731 2.495 1.00 0.00 O ATOM 0 H SER A 44 -0.221 -6.027 2.155 1.00 0.00 H new ATOM 0 HA SER A 44 -0.879 -8.322 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.095 -8.140 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.802 -7.910 3.340 1.00 0.00 H new ATOM 0 HG SER A 44 -1.198 -10.162 3.368 1.00 0.00 H new ATOM 678 N VAL A 45 -3.328 -6.474 1.733 1.00 0.00 N ATOM 679 CA VAL A 45 -4.779 -6.167 1.547 1.00 0.00 C ATOM 680 C VAL A 45 -5.010 -5.539 0.165 1.00 0.00 C ATOM 681 O VAL A 45 -5.945 -5.889 -0.530 1.00 0.00 O ATOM 682 CB VAL A 45 -5.243 -5.207 2.655 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.465 -3.890 2.573 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.742 -4.923 2.500 1.00 0.00 C ATOM 0 H VAL A 45 -2.858 -5.919 2.448 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.357 -7.089 1.608 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.057 -5.672 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.802 -3.218 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.400 -4.088 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.638 -3.425 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.067 -4.242 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.927 -4.468 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.299 -5.857 2.575 1.00 0.00 H new ATOM 694 N ILE A 46 -4.173 -4.613 -0.231 1.00 0.00 N ATOM 695 CA ILE A 46 -4.351 -3.956 -1.562 1.00 0.00 C ATOM 696 C ILE A 46 -4.077 -4.967 -2.680 1.00 0.00 C ATOM 697 O ILE A 46 -4.896 -5.164 -3.559 1.00 0.00 O ATOM 698 CB ILE A 46 -3.381 -2.773 -1.679 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.628 -1.802 -0.521 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.611 -2.044 -3.005 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.562 -0.705 -0.535 1.00 0.00 C ATOM 0 H ILE A 46 -3.374 -4.283 0.310 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.375 -3.594 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.356 -3.142 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.620 -1.360 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.601 -2.337 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.920 -1.205 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.441 -2.732 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.636 -1.675 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.739 -0.015 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.575 -1.155 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.611 -0.162 -1.479 1.00 0.00 H new ATOM 713 N ALA A 47 -2.933 -5.605 -2.657 1.00 0.00 N ATOM 714 CA ALA A 47 -2.602 -6.602 -3.723 1.00 0.00 C ATOM 715 C ALA A 47 -3.642 -7.731 -3.734 1.00 0.00 C ATOM 716 O ALA A 47 -3.801 -8.421 -4.724 1.00 0.00 O ATOM 717 CB ALA A 47 -1.217 -7.193 -3.455 1.00 0.00 C ATOM 0 H ALA A 47 -2.213 -5.479 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.610 -6.101 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.975 -7.919 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.474 -6.396 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.214 -7.686 -2.483 1.00 0.00 H new ATOM 723 N LYS A 48 -4.349 -7.925 -2.646 1.00 0.00 N ATOM 724 CA LYS A 48 -5.374 -9.008 -2.600 1.00 0.00 C ATOM 725 C LYS A 48 -6.757 -8.396 -2.363 1.00 0.00 C ATOM 726 O LYS A 48 -7.633 -9.024 -1.797 1.00 0.00 O ATOM 727 CB LYS A 48 -5.045 -9.969 -1.457 1.00 0.00 C ATOM 728 CG LYS A 48 -5.744 -11.309 -1.698 1.00 0.00 C ATOM 729 CD LYS A 48 -5.978 -12.011 -0.358 1.00 0.00 C ATOM 730 CE LYS A 48 -6.539 -13.411 -0.606 1.00 0.00 C ATOM 731 NZ LYS A 48 -7.264 -13.879 0.609 1.00 0.00 N ATOM 0 H LYS A 48 -4.258 -7.379 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.373 -9.548 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.967 -10.116 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.368 -9.544 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.694 -11.149 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.135 -11.937 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.043 -12.076 0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.672 -11.432 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.213 -13.398 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.730 -14.101 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.646 -14.832 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.608 -13.907 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.045 -13.226 0.820 1.00 0.00 H new ATOM 745 N TYR A 49 -6.956 -7.177 -2.791 1.00 0.00 N ATOM 746 CA TYR A 49 -8.277 -6.514 -2.596 1.00 0.00 C ATOM 747 C TYR A 49 -9.202 -6.874 -3.774 1.00 0.00 C ATOM 748 O TYR A 49 -8.752 -6.908 -4.902 1.00 0.00 O ATOM 749 CB TYR A 49 -8.069 -4.993 -2.542 1.00 0.00 C ATOM 750 CG TYR A 49 -9.182 -4.324 -1.757 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.585 -4.838 -0.516 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.804 -3.180 -2.270 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.606 -4.211 0.204 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.826 -2.552 -1.548 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.227 -3.069 -0.311 1.00 0.00 C ATOM 756 OH TYR A 49 -12.235 -2.450 0.400 1.00 0.00 O ATOM 0 H TYR A 49 -6.256 -6.610 -3.270 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.733 -6.851 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.107 -4.769 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.038 -4.590 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.106 -5.719 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.495 -2.781 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.915 -4.609 1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.305 -1.669 -1.945 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.557 -1.671 -0.100 1.00 0.00 H new ATOM 766 N PRO A 50 -10.470 -7.134 -3.499 1.00 0.00 N ATOM 767 CA PRO A 50 -11.475 -7.498 -4.547 1.00 0.00 C ATOM 768 C PRO A 50 -12.097 -6.248 -5.178 1.00 0.00 C ATOM 769 O PRO A 50 -13.068 -6.341 -5.907 1.00 0.00 O ATOM 770 CB PRO A 50 -12.528 -8.278 -3.770 1.00 0.00 C ATOM 771 CG PRO A 50 -12.436 -7.843 -2.318 1.00 0.00 C ATOM 772 CD PRO A 50 -11.106 -7.109 -2.132 1.00 0.00 C ATOM 0 HA PRO A 50 -11.036 -8.062 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.523 -8.080 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.356 -9.350 -3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.271 -7.191 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.491 -8.707 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.261 -6.088 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.478 -7.606 -1.392 1.00 0.00 H new ATOM 780 N HIS A 51 -11.563 -5.080 -4.903 1.00 0.00 N ATOM 781 CA HIS A 51 -12.152 -3.838 -5.491 1.00 0.00 C ATOM 782 C HIS A 51 -11.043 -2.816 -5.750 1.00 0.00 C ATOM 783 O HIS A 51 -9.896 -3.032 -5.410 1.00 0.00 O ATOM 784 CB HIS A 51 -13.187 -3.251 -4.521 1.00 0.00 C ATOM 785 CG HIS A 51 -14.106 -4.346 -4.041 1.00 0.00 C ATOM 786 ND1 HIS A 51 -15.066 -4.920 -4.861 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.198 -5.005 -2.840 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.684 -5.881 -4.150 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.195 -5.973 -2.912 1.00 0.00 N ATOM 0 H HIS A 51 -10.752 -4.936 -4.302 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.642 -4.080 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.684 -2.787 -3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.763 -2.470 -5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.589 -4.803 -1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.479 -6.502 -4.535 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.489 -6.615 -2.176 1.00 0.00 H new ATOM 797 N LYS A 52 -11.381 -1.707 -6.357 1.00 0.00 N ATOM 798 CA LYS A 52 -10.354 -0.664 -6.653 1.00 0.00 C ATOM 799 C LYS A 52 -10.289 0.334 -5.496 1.00 0.00 C ATOM 800 O LYS A 52 -11.035 0.240 -4.539 1.00 0.00 O ATOM 801 CB LYS A 52 -10.731 0.072 -7.940 1.00 0.00 C ATOM 802 CG LYS A 52 -10.873 -0.935 -9.084 1.00 0.00 C ATOM 803 CD LYS A 52 -11.996 -0.488 -10.022 1.00 0.00 C ATOM 804 CE LYS A 52 -13.313 -1.132 -9.586 1.00 0.00 C ATOM 805 NZ LYS A 52 -14.173 -1.362 -10.780 1.00 0.00 N ATOM 0 H LYS A 52 -12.327 -1.479 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.381 -1.139 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.667 0.614 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.968 0.811 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.935 -1.012 -9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.091 -1.926 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.087 0.598 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.762 -0.773 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.118 -2.076 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.827 -0.487 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.069 -1.800 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.370 -0.453 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.682 -1.993 -11.445 1.00 0.00 H new ATOM 819 N ILE A 53 -9.403 1.293 -5.583 1.00 0.00 N ATOM 820 CA ILE A 53 -9.278 2.310 -4.497 1.00 0.00 C ATOM 821 C ILE A 53 -9.499 3.704 -5.088 1.00 0.00 C ATOM 822 O ILE A 53 -8.765 4.144 -5.952 1.00 0.00 O ATOM 823 CB ILE A 53 -7.882 2.232 -3.876 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.577 0.785 -3.477 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.826 3.121 -2.633 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.107 0.667 -3.066 1.00 0.00 C ATOM 0 H ILE A 53 -8.758 1.415 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.024 2.115 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.145 2.572 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.222 0.480 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.787 0.115 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.831 3.065 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.041 4.152 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.565 2.780 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.890 -0.363 -2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.471 0.954 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.912 1.325 -2.220 1.00 0.00 H new ATOM 838 N LYS A 54 -10.511 4.398 -4.631 1.00 0.00 N ATOM 839 CA LYS A 54 -10.794 5.763 -5.166 1.00 0.00 C ATOM 840 C LYS A 54 -9.780 6.762 -4.602 1.00 0.00 C ATOM 841 O LYS A 54 -9.270 7.607 -5.316 1.00 0.00 O ATOM 842 CB LYS A 54 -12.206 6.187 -4.757 1.00 0.00 C ATOM 843 CG LYS A 54 -12.770 7.156 -5.798 1.00 0.00 C ATOM 844 CD LYS A 54 -14.289 6.990 -5.881 1.00 0.00 C ATOM 845 CE LYS A 54 -14.844 7.904 -6.975 1.00 0.00 C ATOM 846 NZ LYS A 54 -14.410 7.400 -8.309 1.00 0.00 N ATOM 0 H LYS A 54 -11.155 4.076 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.716 5.746 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.850 5.312 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.185 6.662 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.520 8.182 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.319 6.963 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.541 5.952 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.745 7.235 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.932 7.934 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.490 8.924 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.023 7.800 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.425 7.686 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.478 6.362 -8.327 1.00 0.00 H new ATOM 860 N SER A 55 -9.489 6.676 -3.329 1.00 0.00 N ATOM 861 CA SER A 55 -8.513 7.623 -2.714 1.00 0.00 C ATOM 862 C SER A 55 -7.837 6.959 -1.514 1.00 0.00 C ATOM 863 O SER A 55 -8.111 5.819 -1.189 1.00 0.00 O ATOM 864 CB SER A 55 -9.248 8.882 -2.252 1.00 0.00 C ATOM 865 OG SER A 55 -8.309 9.800 -1.707 1.00 0.00 O ATOM 0 H SER A 55 -9.887 5.989 -2.688 1.00 0.00 H new ATOM 0 HA SER A 55 -7.756 7.891 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.775 9.338 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.999 8.625 -1.505 1.00 0.00 H new ATOM 0 HG SER A 55 -8.776 10.609 -1.411 1.00 0.00 H new ATOM 871 N GLY A 56 -6.954 7.668 -0.854 1.00 0.00 N ATOM 872 CA GLY A 56 -6.247 7.091 0.330 1.00 0.00 C ATOM 873 C GLY A 56 -7.267 6.665 1.392 1.00 0.00 C ATOM 874 O GLY A 56 -7.015 5.773 2.180 1.00 0.00 O ATOM 0 H GLY A 56 -6.692 8.626 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.648 6.233 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.560 7.827 0.748 1.00 0.00 H new ATOM 878 N ALA A 57 -8.417 7.295 1.416 1.00 0.00 N ATOM 879 CA ALA A 57 -9.459 6.927 2.423 1.00 0.00 C ATOM 880 C ALA A 57 -9.871 5.466 2.217 1.00 0.00 C ATOM 881 O ALA A 57 -10.226 4.776 3.153 1.00 0.00 O ATOM 882 CB ALA A 57 -10.680 7.832 2.246 1.00 0.00 C ATOM 0 H ALA A 57 -8.678 8.049 0.780 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.056 7.053 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.440 7.565 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.386 8.872 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.084 7.705 1.242 1.00 0.00 H new ATOM 888 N GLU A 58 -9.818 4.996 0.997 1.00 0.00 N ATOM 889 CA GLU A 58 -10.197 3.581 0.716 1.00 0.00 C ATOM 890 C GLU A 58 -9.103 2.636 1.229 1.00 0.00 C ATOM 891 O GLU A 58 -9.343 1.464 1.450 1.00 0.00 O ATOM 892 CB GLU A 58 -10.369 3.392 -0.793 1.00 0.00 C ATOM 893 CG GLU A 58 -11.834 3.619 -1.172 1.00 0.00 C ATOM 894 CD GLU A 58 -12.173 5.104 -1.038 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.522 5.902 -1.693 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.076 5.420 -0.281 1.00 0.00 O ATOM 0 H GLU A 58 -9.527 5.535 0.181 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.134 3.352 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.730 4.091 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.059 2.388 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.012 3.286 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.483 3.027 -0.526 1.00 0.00 H new ATOM 903 N ALA A 59 -7.902 3.133 1.416 1.00 0.00 N ATOM 904 CA ALA A 59 -6.795 2.265 1.913 1.00 0.00 C ATOM 905 C ALA A 59 -6.813 2.227 3.444 1.00 0.00 C ATOM 906 O ALA A 59 -6.359 1.275 4.052 1.00 0.00 O ATOM 907 CB ALA A 59 -5.455 2.826 1.434 1.00 0.00 C ATOM 0 H ALA A 59 -7.644 4.105 1.244 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.929 1.255 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.645 2.193 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.438 2.848 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.325 3.837 1.820 1.00 0.00 H new ATOM 913 N LYS A 60 -7.328 3.256 4.071 1.00 0.00 N ATOM 914 CA LYS A 60 -7.375 3.285 5.563 1.00 0.00 C ATOM 915 C LYS A 60 -8.465 2.333 6.062 1.00 0.00 C ATOM 916 O LYS A 60 -8.278 1.616 7.027 1.00 0.00 O ATOM 917 CB LYS A 60 -7.685 4.707 6.036 1.00 0.00 C ATOM 918 CG LYS A 60 -6.959 4.978 7.355 1.00 0.00 C ATOM 919 CD LYS A 60 -7.858 4.574 8.526 1.00 0.00 C ATOM 920 CE LYS A 60 -8.962 5.617 8.705 1.00 0.00 C ATOM 921 NZ LYS A 60 -10.179 4.961 9.263 1.00 0.00 N ATOM 0 H LYS A 60 -7.718 4.078 3.611 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.410 2.970 5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.372 5.429 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.760 4.831 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.025 4.417 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.700 6.034 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.296 3.593 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.269 4.492 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.624 6.409 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.194 6.085 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.930 5.670 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.505 4.220 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.952 4.535 10.184 1.00 0.00 H new ATOM 935 N LYS A 61 -9.601 2.325 5.412 1.00 0.00 N ATOM 936 CA LYS A 61 -10.714 1.423 5.841 1.00 0.00 C ATOM 937 C LYS A 61 -10.256 -0.041 5.783 1.00 0.00 C ATOM 938 O LYS A 61 -10.791 -0.892 6.468 1.00 0.00 O ATOM 939 CB LYS A 61 -11.918 1.619 4.913 1.00 0.00 C ATOM 940 CG LYS A 61 -11.517 1.315 3.465 1.00 0.00 C ATOM 941 CD LYS A 61 -12.689 1.633 2.534 1.00 0.00 C ATOM 942 CE LYS A 61 -12.562 0.805 1.254 1.00 0.00 C ATOM 943 NZ LYS A 61 -13.919 0.549 0.691 1.00 0.00 N ATOM 0 H LYS A 61 -9.807 2.906 4.600 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.997 1.668 6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.734 0.964 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.285 2.642 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.646 1.907 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.235 0.267 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.633 1.411 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.698 2.696 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.948 1.334 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.061 -0.139 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.833 -0.014 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.490 0.027 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.381 1.455 0.473 1.00 0.00 H new ATOM 957 N LEU A 62 -9.274 -0.337 4.966 1.00 0.00 N ATOM 958 CA LEU A 62 -8.783 -1.743 4.853 1.00 0.00 C ATOM 959 C LEU A 62 -8.264 -2.219 6.224 1.00 0.00 C ATOM 960 O LEU A 62 -7.662 -1.446 6.945 1.00 0.00 O ATOM 961 CB LEU A 62 -7.645 -1.805 3.828 1.00 0.00 C ATOM 962 CG LEU A 62 -8.133 -1.279 2.474 1.00 0.00 C ATOM 963 CD1 LEU A 62 -6.967 -1.257 1.483 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.237 -2.191 1.933 1.00 0.00 C ATOM 0 H LEU A 62 -8.791 0.337 4.372 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.600 -2.388 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.799 -1.212 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.293 -2.831 3.724 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.525 -0.270 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.315 -0.883 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.179 -0.606 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.575 -2.267 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.581 -1.814 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.846 -3.201 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.071 -2.209 2.635 1.00 0.00 H new ATOM 976 N PRO A 63 -8.503 -3.476 6.557 1.00 0.00 N ATOM 977 CA PRO A 63 -8.060 -4.075 7.857 1.00 0.00 C ATOM 978 C PRO A 63 -6.583 -4.457 7.787 1.00 0.00 C ATOM 979 O PRO A 63 -6.204 -5.390 7.105 1.00 0.00 O ATOM 980 CB PRO A 63 -8.942 -5.306 8.007 1.00 0.00 C ATOM 981 CG PRO A 63 -9.389 -5.710 6.616 1.00 0.00 C ATOM 982 CD PRO A 63 -9.231 -4.490 5.706 1.00 0.00 C ATOM 0 HA PRO A 63 -8.155 -3.392 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.393 -6.117 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.803 -5.088 8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.789 -6.542 6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.426 -6.046 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.664 -4.735 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.199 -4.111 5.378 1.00 0.00 H new ATOM 990 N GLY A 64 -5.749 -3.732 8.485 1.00 0.00 N ATOM 991 CA GLY A 64 -4.289 -4.033 8.465 1.00 0.00 C ATOM 992 C GLY A 64 -3.511 -2.765 8.102 1.00 0.00 C ATOM 993 O GLY A 64 -2.357 -2.616 8.457 1.00 0.00 O ATOM 0 H GLY A 64 -6.018 -2.941 9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.970 -4.402 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.079 -4.821 7.742 1.00 0.00 H new ATOM 997 N VAL A 65 -4.133 -1.851 7.395 1.00 0.00 N ATOM 998 CA VAL A 65 -3.429 -0.593 7.006 1.00 0.00 C ATOM 999 C VAL A 65 -3.635 0.462 8.095 1.00 0.00 C ATOM 1000 O VAL A 65 -4.722 0.624 8.617 1.00 0.00 O ATOM 1001 CB VAL A 65 -3.995 -0.073 5.683 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.149 1.105 5.194 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -3.964 -1.191 4.638 1.00 0.00 C ATOM 0 H VAL A 65 -5.098 -1.924 7.072 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.365 -0.797 6.889 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.024 0.255 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.552 1.476 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.172 1.902 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.120 0.777 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.367 -0.820 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.936 -1.520 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.567 -2.030 4.985 1.00 0.00 H new ATOM 1013 N GLY A 66 -2.596 1.181 8.438 1.00 0.00 N ATOM 1014 CA GLY A 66 -2.719 2.230 9.491 1.00 0.00 C ATOM 1015 C GLY A 66 -3.075 3.567 8.840 1.00 0.00 C ATOM 1016 O GLY A 66 -3.738 3.613 7.821 1.00 0.00 O ATOM 0 H GLY A 66 -1.665 1.085 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.487 1.949 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.782 2.319 10.041 1.00 0.00 H new ATOM 1020 N THR A 67 -2.638 4.655 9.424 1.00 0.00 N ATOM 1021 CA THR A 67 -2.947 5.995 8.844 1.00 0.00 C ATOM 1022 C THR A 67 -1.755 6.482 8.017 1.00 0.00 C ATOM 1023 O THR A 67 -1.915 7.214 7.058 1.00 0.00 O ATOM 1024 CB THR A 67 -3.230 6.992 9.972 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.361 8.297 9.426 1.00 0.00 O ATOM 1026 CG2 THR A 67 -2.082 6.974 10.982 1.00 0.00 C ATOM 0 H THR A 67 -2.080 4.671 10.278 1.00 0.00 H new ATOM 0 HA THR A 67 -3.825 5.917 8.203 1.00 0.00 H new ATOM 0 HB THR A 67 -4.155 6.711 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.544 8.936 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.290 7.685 11.781 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.983 5.973 11.403 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.154 7.251 10.482 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.563 6.084 8.382 1.00 0.00 N ATOM 1035 CA LYS A 68 0.644 6.525 7.621 1.00 0.00 C ATOM 1036 C LYS A 68 0.672 5.832 6.253 1.00 0.00 C ATOM 1037 O LYS A 68 0.935 6.454 5.241 1.00 0.00 O ATOM 1038 CB LYS A 68 1.916 6.182 8.412 1.00 0.00 C ATOM 1039 CG LYS A 68 2.021 4.667 8.628 1.00 0.00 C ATOM 1040 CD LYS A 68 3.020 4.380 9.750 1.00 0.00 C ATOM 1041 CE LYS A 68 2.791 2.967 10.288 1.00 0.00 C ATOM 1042 NZ LYS A 68 3.585 2.775 11.535 1.00 0.00 N ATOM 0 H LYS A 68 -0.374 5.472 9.175 1.00 0.00 H new ATOM 0 HA LYS A 68 0.602 7.604 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.794 6.540 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.902 6.693 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.044 4.257 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.341 4.179 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.040 4.478 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.902 5.109 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.732 2.811 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.084 2.230 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.429 1.814 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.595 2.907 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.285 3.470 12.248 1.00 0.00 H new ATOM 1056 N ILE A 69 0.404 4.550 6.218 1.00 0.00 N ATOM 1057 CA ILE A 69 0.415 3.813 4.922 1.00 0.00 C ATOM 1058 C ILE A 69 -0.779 4.245 4.070 1.00 0.00 C ATOM 1059 O ILE A 69 -0.647 4.495 2.886 1.00 0.00 O ATOM 1060 CB ILE A 69 0.330 2.313 5.206 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.478 1.918 6.148 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.423 1.521 3.894 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.836 2.138 5.463 1.00 0.00 C ATOM 0 H ILE A 69 0.178 3.983 7.035 1.00 0.00 H new ATOM 0 HA ILE A 69 1.334 4.035 4.380 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.625 2.083 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.425 2.509 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.375 0.872 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.361 0.454 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.398 1.807 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.372 1.739 3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.638 1.853 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.892 1.528 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.943 3.189 5.196 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.942 4.335 4.664 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.155 4.749 3.893 1.00 0.00 C ATOM 1077 C ALA A 70 -2.929 6.134 3.277 1.00 0.00 C ATOM 1078 O ALA A 70 -3.278 6.379 2.138 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.363 4.799 4.831 1.00 0.00 C ATOM 0 H ALA A 70 -2.105 4.139 5.652 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.340 4.027 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.247 5.101 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.528 3.813 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.176 5.519 5.627 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.345 7.038 4.024 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.087 8.405 3.494 1.00 0.00 C ATOM 1087 C GLU A 71 -1.153 8.319 2.285 1.00 0.00 C ATOM 1088 O GLU A 71 -1.299 9.049 1.322 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.436 9.259 4.584 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.486 9.650 5.624 1.00 0.00 C ATOM 1091 CD GLU A 71 -3.073 11.018 5.271 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -2.527 12.011 5.724 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -4.058 11.051 4.552 1.00 0.00 O ATOM 0 H GLU A 71 -2.035 6.883 4.983 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.030 8.860 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.627 8.705 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.994 10.153 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.277 8.901 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.036 9.681 6.616 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.194 7.428 2.331 1.00 0.00 N ATOM 1101 CA LYS A 72 0.758 7.281 1.191 1.00 0.00 C ATOM 1102 C LYS A 72 -0.009 6.842 -0.058 1.00 0.00 C ATOM 1103 O LYS A 72 0.341 7.199 -1.168 1.00 0.00 O ATOM 1104 CB LYS A 72 1.812 6.228 1.538 1.00 0.00 C ATOM 1105 CG LYS A 72 3.035 6.913 2.151 1.00 0.00 C ATOM 1106 CD LYS A 72 4.190 5.913 2.239 1.00 0.00 C ATOM 1107 CE LYS A 72 5.483 6.655 2.581 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.531 6.925 4.045 1.00 0.00 N ATOM 0 H LYS A 72 -0.030 6.794 3.113 1.00 0.00 H new ATOM 0 HA LYS A 72 1.248 8.236 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.399 5.502 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.101 5.678 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.327 7.770 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.793 7.293 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.977 5.162 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.301 5.385 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.346 6.060 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.534 7.592 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.297 7.598 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.624 7.329 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.706 6.036 4.556 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.055 6.075 0.117 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.855 5.613 -1.056 1.00 0.00 C ATOM 1124 C ILE A 73 -2.485 6.829 -1.740 1.00 0.00 C ATOM 1125 O ILE A 73 -2.486 6.938 -2.951 1.00 0.00 O ATOM 1126 CB ILE A 73 -2.957 4.657 -0.582 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.337 3.495 0.214 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.715 4.103 -1.793 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.343 2.719 -0.659 1.00 0.00 C ATOM 0 H ILE A 73 -1.390 5.749 1.024 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.209 5.090 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.649 5.202 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.830 3.881 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.123 2.826 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.497 3.424 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.165 4.926 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.023 3.564 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.913 1.901 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.861 2.316 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.548 3.388 -0.987 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.012 7.748 -0.969 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.642 8.972 -1.558 1.00 0.00 C ATOM 1143 C ASP A 74 -2.631 9.691 -2.456 1.00 0.00 C ATOM 1144 O ASP A 74 -2.965 10.158 -3.528 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.079 9.911 -0.432 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.326 10.685 -0.865 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.430 10.994 -2.041 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.155 10.957 -0.012 1.00 0.00 O ATOM 0 H ASP A 74 -3.033 7.703 0.050 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.510 8.682 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.289 9.339 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.274 10.605 -0.190 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.394 9.772 -2.029 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.353 10.445 -2.861 1.00 0.00 C ATOM 1155 C GLU A 75 -0.188 9.678 -4.176 1.00 0.00 C ATOM 1156 O GLU A 75 0.150 10.243 -5.198 1.00 0.00 O ATOM 1157 CB GLU A 75 0.977 10.455 -2.104 1.00 0.00 C ATOM 1158 CG GLU A 75 0.963 11.574 -1.060 1.00 0.00 C ATOM 1159 CD GLU A 75 2.399 11.916 -0.658 1.00 0.00 C ATOM 1160 OE1 GLU A 75 3.008 12.721 -1.344 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.865 11.368 0.327 1.00 0.00 O ATOM 0 H GLU A 75 -1.062 9.400 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.656 11.471 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.138 9.493 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.803 10.603 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.467 12.457 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.394 11.262 -0.185 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.432 8.392 -4.152 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.305 7.570 -5.390 1.00 0.00 C ATOM 1170 C PHE A 76 -1.433 7.927 -6.353 1.00 0.00 C ATOM 1171 O PHE A 76 -1.209 8.221 -7.512 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.415 6.084 -5.016 1.00 0.00 C ATOM 1173 CG PHE A 76 0.920 5.411 -5.197 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.876 5.475 -4.181 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.197 4.725 -6.383 1.00 0.00 C ATOM 1176 CE1 PHE A 76 3.117 4.851 -4.348 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.437 4.098 -6.554 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.398 4.161 -5.536 1.00 0.00 C ATOM 0 H PHE A 76 -0.716 7.874 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 76 0.657 7.765 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.746 5.983 -3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.165 5.597 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.657 6.006 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.455 4.679 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.857 4.901 -3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.653 3.567 -7.469 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.355 3.678 -5.666 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.644 7.882 -5.876 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.811 8.193 -6.741 1.00 0.00 C ATOM 1190 C LEU A 77 -3.864 9.698 -7.032 1.00 0.00 C ATOM 1191 O LEU A 77 -4.410 10.120 -8.034 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.096 7.765 -6.022 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.268 6.232 -6.047 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.210 5.705 -7.484 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.163 5.575 -5.219 1.00 0.00 C ATOM 0 H LEU A 77 -2.876 7.640 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.716 7.654 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.071 8.114 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.956 8.237 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.241 5.987 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.333 4.622 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.009 6.159 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.246 5.959 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.288 4.492 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.191 5.836 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.221 5.928 -4.189 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.305 10.507 -6.166 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.326 11.983 -6.393 1.00 0.00 C ATOM 1209 C ALA A 78 -2.568 12.316 -7.684 1.00 0.00 C ATOM 1210 O ALA A 78 -3.166 12.541 -8.721 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.668 12.692 -5.206 1.00 0.00 C ATOM 0 H ALA A 78 -2.835 10.208 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.358 12.322 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.683 13.769 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.215 12.457 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.636 12.355 -5.107 1.00 0.00 H new ATOM 1217 N THR A 79 -1.259 12.351 -7.630 1.00 0.00 N ATOM 1218 CA THR A 79 -0.460 12.668 -8.849 1.00 0.00 C ATOM 1219 C THR A 79 0.384 11.452 -9.236 1.00 0.00 C ATOM 1220 O THR A 79 0.236 10.901 -10.311 1.00 0.00 O ATOM 1221 CB THR A 79 0.460 13.857 -8.561 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.864 13.821 -7.199 1.00 0.00 O ATOM 1223 CG2 THR A 79 -0.285 15.161 -8.841 1.00 0.00 C ATOM 0 H THR A 79 -0.710 12.173 -6.789 1.00 0.00 H new ATOM 0 HA THR A 79 -1.133 12.919 -9.669 1.00 0.00 H new ATOM 0 HB THR A 79 1.339 13.801 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.455 14.581 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.372 16.006 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.593 15.187 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.166 15.222 -8.201 1.00 0.00 H new ATOM 1231 N GLY A 80 1.265 11.030 -8.365 1.00 0.00 N ATOM 1232 CA GLY A 80 2.125 9.850 -8.672 1.00 0.00 C ATOM 1233 C GLY A 80 3.257 10.270 -9.609 1.00 0.00 C ATOM 1234 O GLY A 80 3.398 9.747 -10.699 1.00 0.00 O ATOM 0 H GLY A 80 1.425 11.454 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.536 9.438 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.529 9.064 -9.135 1.00 0.00 H new ATOM 1238 N LYS A 81 4.065 11.211 -9.191 1.00 0.00 N ATOM 1239 CA LYS A 81 5.195 11.674 -10.051 1.00 0.00 C ATOM 1240 C LYS A 81 6.437 11.897 -9.187 1.00 0.00 C ATOM 1241 O LYS A 81 6.352 12.397 -8.081 1.00 0.00 O ATOM 1242 CB LYS A 81 4.808 12.986 -10.737 1.00 0.00 C ATOM 1243 CG LYS A 81 4.221 12.686 -12.119 1.00 0.00 C ATOM 1244 CD LYS A 81 3.691 13.979 -12.740 1.00 0.00 C ATOM 1245 CE LYS A 81 4.793 14.632 -13.577 1.00 0.00 C ATOM 1246 NZ LYS A 81 5.155 13.734 -14.710 1.00 0.00 N ATOM 0 H LYS A 81 3.990 11.680 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 81 5.410 10.918 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.080 13.525 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.682 13.630 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.984 12.247 -12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.417 11.955 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.823 13.766 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.361 14.662 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.453 15.595 -13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.669 14.825 -12.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.410 14.307 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.964 13.140 -14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.344 13.127 -14.945 1.00 0.00 H new ATOM 1260 N LEU A 82 7.590 11.527 -9.685 1.00 0.00 N ATOM 1261 CA LEU A 82 8.845 11.714 -8.901 1.00 0.00 C ATOM 1262 C LEU A 82 9.884 12.436 -9.767 1.00 0.00 C ATOM 1263 O LEU A 82 11.012 11.998 -9.901 1.00 0.00 O ATOM 1264 CB LEU A 82 9.386 10.345 -8.474 1.00 0.00 C ATOM 1265 CG LEU A 82 8.441 9.721 -7.447 1.00 0.00 C ATOM 1266 CD1 LEU A 82 8.482 8.197 -7.575 1.00 0.00 C ATOM 1267 CD2 LEU A 82 8.882 10.126 -6.039 1.00 0.00 C ATOM 0 H LEU A 82 7.715 11.102 -10.604 1.00 0.00 H new ATOM 0 HA LEU A 82 8.638 12.312 -8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.479 9.692 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.383 10.453 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 82 7.425 10.073 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.808 7.752 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.170 7.908 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.497 7.844 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.209 9.682 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.898 9.773 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.854 11.212 -5.947 1.00 0.00 H new ATOM 1279 N ARG A 83 9.507 13.543 -10.354 1.00 0.00 N ATOM 1280 CA ARG A 83 10.461 14.304 -11.213 1.00 0.00 C ATOM 1281 C ARG A 83 11.487 15.017 -10.330 1.00 0.00 C ATOM 1282 O ARG A 83 12.641 14.637 -10.275 1.00 0.00 O ATOM 1283 CB ARG A 83 9.690 15.338 -12.037 1.00 0.00 C ATOM 1284 CG ARG A 83 9.333 14.742 -13.400 1.00 0.00 C ATOM 1285 CD ARG A 83 10.588 14.672 -14.273 1.00 0.00 C ATOM 1286 NE ARG A 83 10.214 14.897 -15.703 1.00 0.00 N ATOM 1287 CZ ARG A 83 9.919 16.100 -16.156 1.00 0.00 C ATOM 1288 NH1 ARG A 83 9.940 17.155 -15.373 1.00 0.00 N ATOM 1289 NH2 ARG A 83 9.599 16.247 -17.412 1.00 0.00 N ATOM 0 H ARG A 83 8.576 13.953 -10.275 1.00 0.00 H new ATOM 0 HA ARG A 83 10.976 13.615 -11.883 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.784 15.636 -11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.293 16.237 -12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.910 13.746 -13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.572 15.352 -13.887 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.309 15.423 -13.952 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.069 13.700 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 83 10.186 14.103 -16.342 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.189 17.055 -14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.707 18.074 -15.749 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.579 15.437 -18.031 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.369 17.172 -17.775 1.00 0.00 H new ATOM 1303 N LYS A 84 11.071 16.049 -9.639 1.00 0.00 N ATOM 1304 CA LYS A 84 12.016 16.795 -8.756 1.00 0.00 C ATOM 1305 C LYS A 84 11.648 16.546 -7.291 1.00 0.00 C ATOM 1306 O LYS A 84 12.508 16.359 -6.451 1.00 0.00 O ATOM 1307 CB LYS A 84 11.922 18.292 -9.058 1.00 0.00 C ATOM 1308 CG LYS A 84 13.293 18.940 -8.856 1.00 0.00 C ATOM 1309 CD LYS A 84 13.403 20.187 -9.736 1.00 0.00 C ATOM 1310 CE LYS A 84 12.909 21.407 -8.958 1.00 0.00 C ATOM 1311 NZ LYS A 84 11.461 21.621 -9.237 1.00 0.00 N ATOM 0 H LYS A 84 10.116 16.407 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 84 13.034 16.451 -8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.582 18.447 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.187 18.760 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.429 19.208 -7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.082 18.232 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.437 20.335 -10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.813 20.058 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.066 21.259 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.480 22.290 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.338 22.498 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.091 20.818 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.942 21.696 -8.339 1.00 0.00 H new ATOM 1325 N LEU A 85 10.376 16.546 -6.983 1.00 0.00 N ATOM 1326 CA LEU A 85 9.942 16.312 -5.574 1.00 0.00 C ATOM 1327 C LEU A 85 10.206 14.853 -5.194 1.00 0.00 C ATOM 1328 O LEU A 85 9.916 13.945 -5.950 1.00 0.00 O ATOM 1329 CB LEU A 85 8.447 16.609 -5.445 1.00 0.00 C ATOM 1330 CG LEU A 85 8.231 18.121 -5.369 1.00 0.00 C ATOM 1331 CD1 LEU A 85 8.599 18.759 -6.710 1.00 0.00 C ATOM 1332 CD2 LEU A 85 6.762 18.410 -5.054 1.00 0.00 C ATOM 0 H LEU A 85 9.618 16.698 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 85 10.502 16.968 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.909 16.197 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.046 16.128 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 85 8.861 18.538 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.445 19.837 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.645 18.553 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.969 18.342 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.607 19.488 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.132 17.992 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.499 17.957 -4.098 1.00 0.00 H new ATOM 1344 N GLU A 86 10.754 14.626 -4.027 1.00 0.00 N ATOM 1345 CA GLU A 86 11.042 13.228 -3.589 1.00 0.00 C ATOM 1346 C GLU A 86 9.874 12.707 -2.750 1.00 0.00 C ATOM 1347 O GLU A 86 9.406 11.600 -2.943 1.00 0.00 O ATOM 1348 CB GLU A 86 12.322 13.210 -2.749 1.00 0.00 C ATOM 1349 CG GLU A 86 12.913 11.800 -2.748 1.00 0.00 C ATOM 1350 CD GLU A 86 12.286 10.985 -1.615 1.00 0.00 C ATOM 1351 OE1 GLU A 86 12.747 11.114 -0.493 1.00 0.00 O ATOM 1352 OE2 GLU A 86 11.356 10.245 -1.888 1.00 0.00 O ATOM 0 H GLU A 86 11.015 15.351 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 86 11.173 12.592 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.045 13.918 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.104 13.525 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.726 11.315 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.995 11.848 -2.621 1.00 0.00 H new ATOM 1359 N LYS A 87 9.403 13.497 -1.819 1.00 0.00 N ATOM 1360 CA LYS A 87 8.264 13.057 -0.960 1.00 0.00 C ATOM 1361 C LYS A 87 6.944 13.317 -1.690 1.00 0.00 C ATOM 1362 O LYS A 87 6.519 14.459 -1.714 1.00 0.00 O ATOM 1363 CB LYS A 87 8.282 13.841 0.353 1.00 0.00 C ATOM 1364 CG LYS A 87 7.597 13.021 1.448 1.00 0.00 C ATOM 1365 CD LYS A 87 6.096 12.945 1.165 1.00 0.00 C ATOM 1366 CE LYS A 87 5.345 12.640 2.462 1.00 0.00 C ATOM 1367 NZ LYS A 87 5.170 11.166 2.600 1.00 0.00 N ATOM 0 H LYS A 87 9.760 14.431 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 87 8.360 11.992 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.309 14.065 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.771 14.795 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.022 12.018 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.772 13.478 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.747 13.888 0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.894 12.171 0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.897 13.033 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.373 13.133 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.896 10.939 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.427 10.842 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.064 10.687 2.371 1.00 0.00 H new TER 1381 LYS A 87