USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 824 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 23 SER OG : rot 16:sc= -0.195 USER MOD Set 1.2: A 24 GLN : amide:sc= -3.26! C(o=-3.5!,f=-7.9!) USER MOD Set 2.1: A 11 TYR OH : rot 180:sc= 0.834 USER MOD Set 2.2: A 21 HIS : no HD1:sc= -0.147 K(o=1.7,f=0.5) USER MOD Set 2.3: A 22 LYS NZ :NH3+ -120:sc= 0.965 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.069 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0662 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 36:sc= 0.0677 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -117:sc= -0.123 (180deg=-1.8) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -109:sc= 0 (180deg=-2.98!) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00358 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= 0.0546 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-3.3) USER MOD Single : A 52 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 57 MET CE :methyl 177:sc= -5.81! (180deg=-6.03!) USER MOD Single : A 58 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.669) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0155 (180deg=-0.188) USER MOD Single : A 76 MET CE :methyl -166:sc= -0.0105 (180deg=-0.253) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-3.6) USER MOD Single : A 86 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 87 SER OG : rot -33:sc= 0.842 USER MOD Single : A 89 THR OG1 : rot 79:sc=-0.00563 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= -0.0654 (180deg=-0.486) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 100 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.29) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0311 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.710 16.779 32.421 1.00 0.00 N ATOM 2 CA GLY A 1 -20.968 16.780 31.174 1.00 0.00 C ATOM 3 C GLY A 1 -21.409 17.888 30.238 1.00 0.00 C ATOM 4 O GLY A 1 -22.204 17.661 29.327 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.371 16.004 33.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.569 17.686 32.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.722 16.647 32.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.905 16.891 31.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.095 15.818 30.678 1.00 0.00 H new ATOM 8 N SER A 2 -20.892 19.092 30.464 1.00 0.00 N ATOM 9 CA SER A 2 -21.241 20.241 29.638 1.00 0.00 C ATOM 10 C SER A 2 -20.706 20.072 28.219 1.00 0.00 C ATOM 11 O SER A 2 -21.440 20.233 27.244 1.00 0.00 O ATOM 12 CB SER A 2 -20.687 21.527 30.254 1.00 0.00 C ATOM 13 OG SER A 2 -21.258 21.769 31.528 1.00 0.00 O ATOM 0 H SER A 2 -20.230 19.296 31.213 1.00 0.00 H new ATOM 0 HA SER A 2 -22.328 20.308 29.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.603 21.453 30.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.894 22.369 29.593 1.00 0.00 H new ATOM 0 HG SER A 2 -20.886 22.595 31.901 1.00 0.00 H new ATOM 19 N SER A 3 -19.421 19.748 28.112 1.00 0.00 N ATOM 20 CA SER A 3 -18.786 19.561 26.813 1.00 0.00 C ATOM 21 C SER A 3 -17.400 18.942 26.971 1.00 0.00 C ATOM 22 O SER A 3 -16.864 18.866 28.076 1.00 0.00 O ATOM 23 CB SER A 3 -18.679 20.897 26.077 1.00 0.00 C ATOM 24 OG SER A 3 -18.696 20.708 24.672 1.00 0.00 O ATOM 0 H SER A 3 -18.800 19.610 28.909 1.00 0.00 H new ATOM 0 HA SER A 3 -19.405 18.881 26.228 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.505 21.544 26.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.759 21.403 26.368 1.00 0.00 H new ATOM 0 HG SER A 3 -18.628 21.577 24.224 1.00 0.00 H new ATOM 30 N GLY A 4 -16.825 18.501 25.856 1.00 0.00 N ATOM 31 CA GLY A 4 -15.507 17.894 25.891 1.00 0.00 C ATOM 32 C GLY A 4 -14.740 18.100 24.600 1.00 0.00 C ATOM 33 O GLY A 4 -15.325 18.429 23.568 1.00 0.00 O ATOM 0 H GLY A 4 -17.248 18.553 24.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.938 18.316 26.719 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.607 16.826 26.084 1.00 0.00 H new ATOM 37 N SER A 5 -13.426 17.907 24.657 1.00 0.00 N ATOM 38 CA SER A 5 -12.577 18.079 23.484 1.00 0.00 C ATOM 39 C SER A 5 -11.367 17.151 23.548 1.00 0.00 C ATOM 40 O SER A 5 -10.914 16.778 24.630 1.00 0.00 O ATOM 41 CB SER A 5 -12.113 19.533 23.372 1.00 0.00 C ATOM 42 OG SER A 5 -13.210 20.426 23.452 1.00 0.00 O ATOM 0 H SER A 5 -12.927 17.632 25.503 1.00 0.00 H new ATOM 0 HA SER A 5 -13.163 17.823 22.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.402 19.753 24.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.589 19.679 22.427 1.00 0.00 H new ATOM 0 HG SER A 5 -12.887 21.348 23.379 1.00 0.00 H new ATOM 48 N SER A 6 -10.850 16.781 22.381 1.00 0.00 N ATOM 49 CA SER A 6 -9.696 15.894 22.303 1.00 0.00 C ATOM 50 C SER A 6 -9.228 15.737 20.859 1.00 0.00 C ATOM 51 O SER A 6 -9.935 16.106 19.922 1.00 0.00 O ATOM 52 CB SER A 6 -10.038 14.524 22.892 1.00 0.00 C ATOM 53 OG SER A 6 -8.883 13.711 22.999 1.00 0.00 O ATOM 0 H SER A 6 -11.212 17.082 21.476 1.00 0.00 H new ATOM 0 HA SER A 6 -8.887 16.339 22.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.490 14.650 23.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.778 14.029 22.263 1.00 0.00 H new ATOM 0 HG SER A 6 -9.129 12.842 23.380 1.00 0.00 H new ATOM 59 N GLY A 7 -8.030 15.185 20.689 1.00 0.00 N ATOM 60 CA GLY A 7 -7.487 14.989 19.357 1.00 0.00 C ATOM 61 C GLY A 7 -7.339 13.522 19.003 1.00 0.00 C ATOM 62 O GLY A 7 -8.307 12.763 19.054 1.00 0.00 O ATOM 0 H GLY A 7 -7.427 14.870 21.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.137 15.472 18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.514 15.476 19.289 1.00 0.00 H new ATOM 66 N ASP A 8 -6.124 13.123 18.641 1.00 0.00 N ATOM 67 CA ASP A 8 -5.853 11.737 18.275 1.00 0.00 C ATOM 68 C ASP A 8 -4.414 11.358 18.613 1.00 0.00 C ATOM 69 O ASP A 8 -3.472 12.059 18.243 1.00 0.00 O ATOM 70 CB ASP A 8 -6.113 11.521 16.784 1.00 0.00 C ATOM 71 CG ASP A 8 -5.858 12.770 15.964 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.705 12.967 15.528 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.811 13.551 15.759 1.00 0.00 O ATOM 0 H ASP A 8 -5.312 13.739 18.593 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.523 11.097 18.849 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.476 10.715 16.420 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.145 11.201 16.641 1.00 0.00 H new ATOM 78 N LYS A 9 -4.252 10.245 19.320 1.00 0.00 N ATOM 79 CA LYS A 9 -2.929 9.772 19.709 1.00 0.00 C ATOM 80 C LYS A 9 -2.436 8.689 18.754 1.00 0.00 C ATOM 81 O LYS A 9 -3.155 7.734 18.458 1.00 0.00 O ATOM 82 CB LYS A 9 -2.959 9.229 21.140 1.00 0.00 C ATOM 83 CG LYS A 9 -3.774 7.956 21.291 1.00 0.00 C ATOM 84 CD LYS A 9 -4.040 7.634 22.752 1.00 0.00 C ATOM 85 CE LYS A 9 -5.239 8.404 23.283 1.00 0.00 C ATOM 86 NZ LYS A 9 -6.526 7.779 22.872 1.00 0.00 N ATOM 0 H LYS A 9 -5.021 9.653 19.635 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.240 10.616 19.661 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.937 9.037 21.468 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.368 9.993 21.801 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.721 8.065 20.763 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.243 7.126 20.825 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.215 6.564 22.864 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.159 7.877 23.345 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.189 8.449 24.371 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.201 9.431 22.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.319 8.333 23.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.586 7.758 21.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.574 6.808 23.241 1.00 0.00 H new ATOM 100 N LEU A 10 -1.206 8.844 18.276 1.00 0.00 N ATOM 101 CA LEU A 10 -0.616 7.878 17.356 1.00 0.00 C ATOM 102 C LEU A 10 0.877 7.713 17.623 1.00 0.00 C ATOM 103 O LEU A 10 1.426 8.327 18.538 1.00 0.00 O ATOM 104 CB LEU A 10 -0.840 8.321 15.909 1.00 0.00 C ATOM 105 CG LEU A 10 -2.242 8.833 15.573 1.00 0.00 C ATOM 106 CD1 LEU A 10 -2.182 9.849 14.444 1.00 0.00 C ATOM 107 CD2 LEU A 10 -3.158 7.675 15.203 1.00 0.00 C ATOM 0 H LEU A 10 -0.598 9.629 18.510 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.104 6.916 17.516 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.122 9.107 15.676 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.615 7.480 15.254 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.650 9.325 16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.188 10.202 14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.561 10.692 14.746 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.754 9.382 13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.151 8.058 14.967 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.754 7.155 14.335 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.226 6.982 16.042 1.00 0.00 H new ATOM 119 N TYR A 11 1.528 6.881 16.818 1.00 0.00 N ATOM 120 CA TYR A 11 2.957 6.634 16.967 1.00 0.00 C ATOM 121 C TYR A 11 3.672 6.740 15.624 1.00 0.00 C ATOM 122 O TYR A 11 3.492 5.914 14.729 1.00 0.00 O ATOM 123 CB TYR A 11 3.196 5.251 17.577 1.00 0.00 C ATOM 124 CG TYR A 11 2.575 5.077 18.944 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.199 5.151 19.119 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.365 4.836 20.062 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.627 4.993 20.367 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.802 4.675 21.313 1.00 0.00 C ATOM 129 CZ TYR A 11 1.433 4.755 21.461 1.00 0.00 C ATOM 130 OH TYR A 11 0.868 4.596 22.705 1.00 0.00 O ATOM 0 H TYR A 11 1.089 6.366 16.055 1.00 0.00 H new ATOM 0 HA TYR A 11 3.363 7.394 17.635 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.794 4.492 16.905 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.269 5.076 17.650 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.565 5.335 18.264 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.437 4.774 19.951 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.445 5.055 20.485 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.431 4.487 22.171 1.00 0.00 H new ATOM 0 HH TYR A 11 1.573 4.435 23.366 1.00 0.00 H new ATOM 140 N PRO A 12 4.503 7.782 15.478 1.00 0.00 N ATOM 141 CA PRO A 12 5.264 8.023 14.248 1.00 0.00 C ATOM 142 C PRO A 12 6.365 6.989 14.036 1.00 0.00 C ATOM 143 O PRO A 12 6.942 6.476 14.995 1.00 0.00 O ATOM 144 CB PRO A 12 5.869 9.411 14.471 1.00 0.00 C ATOM 145 CG PRO A 12 5.945 9.558 15.951 1.00 0.00 C ATOM 146 CD PRO A 12 4.766 8.806 16.503 1.00 0.00 C ATOM 0 HA PRO A 12 4.636 7.955 13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.855 9.491 14.014 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.248 10.189 14.027 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.881 9.153 16.336 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.909 10.608 16.241 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.993 8.357 17.470 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.905 9.459 16.649 1.00 0.00 H new ATOM 154 N CYS A 13 6.652 6.688 12.774 1.00 0.00 N ATOM 155 CA CYS A 13 7.684 5.715 12.435 1.00 0.00 C ATOM 156 C CYS A 13 8.850 6.387 11.716 1.00 0.00 C ATOM 157 O CYS A 13 8.720 7.503 11.213 1.00 0.00 O ATOM 158 CB CYS A 13 7.100 4.606 11.558 1.00 0.00 C ATOM 159 SG CYS A 13 8.256 3.239 11.221 1.00 0.00 S ATOM 0 H CYS A 13 6.184 7.104 11.969 1.00 0.00 H new ATOM 0 HA CYS A 13 8.055 5.278 13.362 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.210 4.204 12.043 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.779 5.038 10.610 1.00 0.00 H new ATOM 164 N GLN A 14 9.986 5.700 11.673 1.00 0.00 N ATOM 165 CA GLN A 14 11.175 6.231 11.016 1.00 0.00 C ATOM 166 C GLN A 14 10.857 6.675 9.592 1.00 0.00 C ATOM 167 O GLN A 14 11.276 7.748 9.157 1.00 0.00 O ATOM 168 CB GLN A 14 12.286 5.180 10.999 1.00 0.00 C ATOM 169 CG GLN A 14 13.666 5.758 10.726 1.00 0.00 C ATOM 170 CD GLN A 14 14.755 4.704 10.750 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.688 4.777 11.551 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.643 3.715 9.871 1.00 0.00 N ATOM 0 H GLN A 14 10.109 4.775 12.085 1.00 0.00 H new ATOM 0 HA GLN A 14 11.515 7.099 11.581 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.301 4.663 11.959 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.057 4.433 10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.664 6.250 9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.889 6.523 11.470 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.854 3.693 9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.346 2.977 9.841 1.00 0.00 H new ATOM 181 N CYS A 15 10.115 5.843 8.870 1.00 0.00 N ATOM 182 CA CYS A 15 9.741 6.148 7.494 1.00 0.00 C ATOM 183 C CYS A 15 8.873 7.401 7.432 1.00 0.00 C ATOM 184 O CYS A 15 8.919 8.154 6.460 1.00 0.00 O ATOM 185 CB CYS A 15 8.996 4.966 6.871 1.00 0.00 C ATOM 186 SG CYS A 15 7.444 4.534 7.722 1.00 0.00 S ATOM 0 H CYS A 15 9.760 4.951 9.215 1.00 0.00 H new ATOM 0 HA CYS A 15 10.654 6.331 6.928 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.774 5.198 5.829 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.652 4.096 6.871 1.00 0.00 H new ATOM 191 N GLY A 16 8.081 7.619 8.478 1.00 0.00 N ATOM 192 CA GLY A 16 7.214 8.781 8.523 1.00 0.00 C ATOM 193 C GLY A 16 5.777 8.420 8.845 1.00 0.00 C ATOM 194 O GLY A 16 5.017 9.251 9.343 1.00 0.00 O ATOM 0 H GLY A 16 8.025 7.011 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.586 9.480 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.250 9.295 7.562 1.00 0.00 H new ATOM 198 N LYS A 17 5.402 7.178 8.558 1.00 0.00 N ATOM 199 CA LYS A 17 4.047 6.708 8.820 1.00 0.00 C ATOM 200 C LYS A 17 3.725 6.776 10.309 1.00 0.00 C ATOM 201 O LYS A 17 4.615 6.967 11.138 1.00 0.00 O ATOM 202 CB LYS A 17 3.877 5.273 8.316 1.00 0.00 C ATOM 203 CG LYS A 17 3.907 5.153 6.802 1.00 0.00 C ATOM 204 CD LYS A 17 4.067 3.707 6.361 1.00 0.00 C ATOM 205 CE LYS A 17 4.292 3.605 4.860 1.00 0.00 C ATOM 206 NZ LYS A 17 4.498 2.195 4.425 1.00 0.00 N ATOM 0 H LYS A 17 6.018 6.478 8.144 1.00 0.00 H new ATOM 0 HA LYS A 17 3.354 7.359 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.668 4.653 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.931 4.877 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.987 5.562 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.729 5.749 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.908 3.256 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.177 3.141 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.435 4.026 4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.161 4.202 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.648 2.167 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.331 1.801 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.659 1.631 4.668 1.00 0.00 H new ATOM 220 N SER A 18 2.448 6.617 10.642 1.00 0.00 N ATOM 221 CA SER A 18 2.010 6.663 12.032 1.00 0.00 C ATOM 222 C SER A 18 1.060 5.510 12.340 1.00 0.00 C ATOM 223 O SER A 18 0.076 5.294 11.633 1.00 0.00 O ATOM 224 CB SER A 18 1.322 7.998 12.328 1.00 0.00 C ATOM 225 OG SER A 18 0.247 8.226 11.434 1.00 0.00 O ATOM 0 H SER A 18 1.699 6.455 9.969 1.00 0.00 H new ATOM 0 HA SER A 18 2.890 6.566 12.668 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.953 8.001 13.354 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.045 8.809 12.247 1.00 0.00 H new ATOM 0 HG SER A 18 -0.197 7.376 11.233 1.00 0.00 H new ATOM 231 N PHE A 19 1.363 4.770 13.402 1.00 0.00 N ATOM 232 CA PHE A 19 0.538 3.637 13.805 1.00 0.00 C ATOM 233 C PHE A 19 -0.253 3.962 15.069 1.00 0.00 C ATOM 234 O PHE A 19 0.066 4.909 15.789 1.00 0.00 O ATOM 235 CB PHE A 19 1.410 2.402 14.039 1.00 0.00 C ATOM 236 CG PHE A 19 2.209 1.994 12.834 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.255 2.782 12.381 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.914 0.824 12.154 1.00 0.00 C ATOM 239 CE1 PHE A 19 3.990 2.410 11.271 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.646 0.446 11.044 1.00 0.00 C ATOM 241 CZ PHE A 19 3.687 1.240 10.603 1.00 0.00 C ATOM 0 H PHE A 19 2.174 4.935 13.999 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.167 3.429 13.000 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.091 2.600 14.867 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.774 1.570 14.342 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.499 3.697 12.901 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.102 0.199 12.495 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.801 3.034 10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.405 -0.468 10.522 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.263 0.946 9.738 1.00 0.00 H new ATOM 251 N THR A 20 -1.287 3.169 15.333 1.00 0.00 N ATOM 252 CA THR A 20 -2.125 3.372 16.508 1.00 0.00 C ATOM 253 C THR A 20 -1.423 2.893 17.774 1.00 0.00 C ATOM 254 O THR A 20 -1.618 3.452 18.853 1.00 0.00 O ATOM 255 CB THR A 20 -3.471 2.637 16.372 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.131 3.042 15.167 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.367 2.922 17.567 1.00 0.00 C ATOM 0 H THR A 20 -1.564 2.380 14.749 1.00 0.00 H new ATOM 0 HA THR A 20 -2.310 4.444 16.582 1.00 0.00 H new ATOM 0 HB THR A 20 -3.272 1.566 16.335 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.985 2.569 15.087 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.312 2.392 17.448 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.875 2.586 18.479 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.558 3.993 17.632 1.00 0.00 H new ATOM 265 N HIS A 21 -0.605 1.855 17.634 1.00 0.00 N ATOM 266 CA HIS A 21 0.128 1.301 18.767 1.00 0.00 C ATOM 267 C HIS A 21 1.633 1.453 18.568 1.00 0.00 C ATOM 268 O HIS A 21 2.101 1.698 17.455 1.00 0.00 O ATOM 269 CB HIS A 21 -0.226 -0.173 18.959 1.00 0.00 C ATOM 270 CG HIS A 21 -1.442 -0.392 19.807 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.701 0.332 20.951 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.472 -1.259 19.670 1.00 0.00 C ATOM 273 CE1 HIS A 21 -2.838 -0.081 21.483 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.326 -1.046 20.724 1.00 0.00 N ATOM 0 H HIS A 21 -0.433 1.381 16.748 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.160 1.856 19.660 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.387 -0.630 17.982 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.621 -0.685 19.414 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.599 -1.983 18.879 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.291 0.305 22.384 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.196 -1.551 20.893 1.00 0.00 H new ATOM 282 N LYS A 22 2.387 1.307 19.652 1.00 0.00 N ATOM 283 CA LYS A 22 3.839 1.427 19.597 1.00 0.00 C ATOM 284 C LYS A 22 4.467 0.168 19.008 1.00 0.00 C ATOM 285 O LYS A 22 5.437 0.242 18.255 1.00 0.00 O ATOM 286 CB LYS A 22 4.403 1.685 20.997 1.00 0.00 C ATOM 287 CG LYS A 22 3.621 0.998 22.103 1.00 0.00 C ATOM 288 CD LYS A 22 2.504 1.884 22.629 1.00 0.00 C ATOM 289 CE LYS A 22 1.357 1.059 23.192 1.00 0.00 C ATOM 290 NZ LYS A 22 0.160 1.897 23.478 1.00 0.00 N ATOM 0 H LYS A 22 2.016 1.105 20.580 1.00 0.00 H new ATOM 0 HA LYS A 22 4.085 2.270 18.952 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.438 1.346 21.031 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.413 2.759 21.183 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.200 0.065 21.727 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.295 0.738 22.919 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.895 2.542 23.405 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.135 2.522 21.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.091 0.275 22.483 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.681 0.564 24.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.073 1.835 24.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.361 2.886 23.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.645 1.556 22.915 1.00 0.00 H new ATOM 304 N SER A 23 3.907 -0.986 19.356 1.00 0.00 N ATOM 305 CA SER A 23 4.414 -2.261 18.863 1.00 0.00 C ATOM 306 C SER A 23 4.274 -2.352 17.346 1.00 0.00 C ATOM 307 O SER A 23 5.111 -2.950 16.671 1.00 0.00 O ATOM 308 CB SER A 23 3.668 -3.421 19.525 1.00 0.00 C ATOM 309 OG SER A 23 2.266 -3.229 19.461 1.00 0.00 O ATOM 0 H SER A 23 3.102 -1.064 19.977 1.00 0.00 H new ATOM 0 HA SER A 23 5.472 -2.326 19.118 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.933 -4.356 19.032 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.979 -3.510 20.566 1.00 0.00 H new ATOM 0 HG SER A 23 2.060 -2.542 18.793 1.00 0.00 H new ATOM 315 N GLN A 24 3.210 -1.753 16.820 1.00 0.00 N ATOM 316 CA GLN A 24 2.960 -1.767 15.383 1.00 0.00 C ATOM 317 C GLN A 24 3.932 -0.847 14.653 1.00 0.00 C ATOM 318 O GLN A 24 4.314 -1.112 13.512 1.00 0.00 O ATOM 319 CB GLN A 24 1.520 -1.342 15.091 1.00 0.00 C ATOM 320 CG GLN A 24 0.486 -2.384 15.484 1.00 0.00 C ATOM 321 CD GLN A 24 0.877 -3.153 16.731 1.00 0.00 C ATOM 322 OE1 GLN A 24 0.451 -2.822 17.837 1.00 0.00 O ATOM 323 NE2 GLN A 24 1.692 -4.187 16.557 1.00 0.00 N ATOM 0 H GLN A 24 2.509 -1.253 17.366 1.00 0.00 H new ATOM 0 HA GLN A 24 3.111 -2.785 15.023 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.309 -0.414 15.623 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.422 -1.128 14.027 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.473 -1.894 15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.348 -3.083 14.659 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.021 -4.425 15.621 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.989 -4.743 17.359 1.00 0.00 H new ATOM 332 N ARG A 25 4.330 0.233 15.316 1.00 0.00 N ATOM 333 CA ARG A 25 5.257 1.193 14.729 1.00 0.00 C ATOM 334 C ARG A 25 6.699 0.713 14.871 1.00 0.00 C ATOM 335 O ARG A 25 7.543 0.992 14.019 1.00 0.00 O ATOM 336 CB ARG A 25 5.096 2.561 15.393 1.00 0.00 C ATOM 337 CG ARG A 25 6.127 3.583 14.941 1.00 0.00 C ATOM 338 CD ARG A 25 7.371 3.543 15.815 1.00 0.00 C ATOM 339 NE ARG A 25 7.053 3.730 17.228 1.00 0.00 N ATOM 340 CZ ARG A 25 7.891 3.434 18.216 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.091 2.939 17.945 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.529 3.632 19.477 1.00 0.00 N ATOM 0 H ARG A 25 4.025 0.466 16.261 1.00 0.00 H new ATOM 0 HA ARG A 25 5.025 1.282 13.668 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.099 2.944 15.178 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.166 2.441 16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.403 3.389 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.690 4.581 14.973 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.878 2.587 15.681 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.065 4.320 15.494 1.00 0.00 H new ATOM 0 HE ARG A 25 6.137 4.109 17.470 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.372 2.785 16.977 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.733 2.712 18.705 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.606 4.012 19.689 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.173 3.404 20.234 1.00 0.00 H new ATOM 356 N ASP A 26 6.973 -0.009 15.951 1.00 0.00 N ATOM 357 CA ASP A 26 8.312 -0.529 16.205 1.00 0.00 C ATOM 358 C ASP A 26 8.698 -1.569 15.158 1.00 0.00 C ATOM 359 O ASP A 26 9.752 -1.470 14.530 1.00 0.00 O ATOM 360 CB ASP A 26 8.388 -1.142 17.604 1.00 0.00 C ATOM 361 CG ASP A 26 9.760 -1.705 17.915 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.286 -2.479 17.089 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.310 -1.370 18.986 1.00 0.00 O ATOM 0 H ASP A 26 6.286 -0.248 16.666 1.00 0.00 H new ATOM 0 HA ASP A 26 9.015 0.301 16.143 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.133 -0.384 18.344 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.645 -1.935 17.691 1.00 0.00 H new ATOM 368 N ARG A 27 7.838 -2.566 14.977 1.00 0.00 N ATOM 369 CA ARG A 27 8.090 -3.626 14.008 1.00 0.00 C ATOM 370 C ARG A 27 8.442 -3.042 12.643 1.00 0.00 C ATOM 371 O ARG A 27 9.209 -3.633 11.882 1.00 0.00 O ATOM 372 CB ARG A 27 6.867 -4.536 13.886 1.00 0.00 C ATOM 373 CG ARG A 27 5.668 -3.862 13.240 1.00 0.00 C ATOM 374 CD ARG A 27 4.514 -4.835 13.055 1.00 0.00 C ATOM 375 NE ARG A 27 3.469 -4.287 12.195 1.00 0.00 N ATOM 376 CZ ARG A 27 3.547 -4.261 10.869 1.00 0.00 C ATOM 377 NH1 ARG A 27 4.616 -4.750 10.255 1.00 0.00 N ATOM 378 NH2 ARG A 27 2.554 -3.746 10.155 1.00 0.00 N ATOM 0 H ARG A 27 6.961 -2.662 15.489 1.00 0.00 H new ATOM 0 HA ARG A 27 8.937 -4.214 14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.136 -5.416 13.302 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.585 -4.886 14.879 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.344 -3.025 13.858 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.958 -3.451 12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.888 -5.764 12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.090 -5.083 14.028 1.00 0.00 H new ATOM 0 HE ARG A 27 2.633 -3.903 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.381 -5.147 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.674 -4.729 9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.730 -3.370 10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.615 -3.726 9.137 1.00 0.00 H new ATOM 392 N HIS A 28 7.875 -1.879 12.338 1.00 0.00 N ATOM 393 CA HIS A 28 8.128 -1.215 11.065 1.00 0.00 C ATOM 394 C HIS A 28 9.480 -0.508 11.080 1.00 0.00 C ATOM 395 O HIS A 28 10.064 -0.242 10.030 1.00 0.00 O ATOM 396 CB HIS A 28 7.017 -0.210 10.760 1.00 0.00 C ATOM 397 CG HIS A 28 6.783 -0.002 9.295 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.776 1.243 8.703 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.548 -0.891 8.302 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.545 1.112 7.409 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.403 -0.174 7.139 1.00 0.00 N ATOM 0 H HIS A 28 7.237 -1.377 12.956 1.00 0.00 H new ATOM 0 HA HIS A 28 8.144 -1.975 10.284 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.091 -0.553 11.222 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.267 0.746 11.219 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.486 -1.964 8.405 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.483 1.919 6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.216 -0.570 6.218 1.00 0.00 H new ATOM 409 N MET A 29 9.971 -0.206 12.277 1.00 0.00 N ATOM 410 CA MET A 29 11.255 0.469 12.428 1.00 0.00 C ATOM 411 C MET A 29 12.409 -0.520 12.299 1.00 0.00 C ATOM 412 O MET A 29 13.391 -0.256 11.605 1.00 0.00 O ATOM 413 CB MET A 29 11.326 1.179 13.782 1.00 0.00 C ATOM 414 CG MET A 29 10.869 2.628 13.733 1.00 0.00 C ATOM 415 SD MET A 29 11.616 3.636 15.027 1.00 0.00 S ATOM 416 CE MET A 29 13.325 3.664 14.490 1.00 0.00 C ATOM 0 H MET A 29 9.500 -0.418 13.156 1.00 0.00 H new ATOM 0 HA MET A 29 11.343 1.209 11.632 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.711 0.637 14.500 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.352 1.142 14.149 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.118 3.051 12.760 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.784 2.666 13.829 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.950 3.180 15.240 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.417 3.133 13.543 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.649 4.697 14.360 1.00 0.00 H new ATOM 426 N SER A 30 12.283 -1.660 12.971 1.00 0.00 N ATOM 427 CA SER A 30 13.318 -2.687 12.934 1.00 0.00 C ATOM 428 C SER A 30 13.488 -3.236 11.521 1.00 0.00 C ATOM 429 O SER A 30 14.599 -3.552 11.096 1.00 0.00 O ATOM 430 CB SER A 30 12.972 -3.824 13.897 1.00 0.00 C ATOM 431 OG SER A 30 11.679 -4.342 13.632 1.00 0.00 O ATOM 0 H SER A 30 11.475 -1.896 13.547 1.00 0.00 H new ATOM 0 HA SER A 30 14.259 -2.232 13.244 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.712 -4.620 13.806 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.019 -3.462 14.924 1.00 0.00 H new ATOM 0 HG SER A 30 11.483 -5.068 14.260 1.00 0.00 H new ATOM 437 N MET A 31 12.378 -3.346 10.798 1.00 0.00 N ATOM 438 CA MET A 31 12.404 -3.856 9.432 1.00 0.00 C ATOM 439 C MET A 31 13.148 -2.897 8.508 1.00 0.00 C ATOM 440 O MET A 31 13.846 -3.322 7.587 1.00 0.00 O ATOM 441 CB MET A 31 10.979 -4.074 8.919 1.00 0.00 C ATOM 442 CG MET A 31 10.379 -2.848 8.251 1.00 0.00 C ATOM 443 SD MET A 31 10.832 -2.714 6.511 1.00 0.00 S ATOM 444 CE MET A 31 9.660 -1.481 5.950 1.00 0.00 C ATOM 0 H MET A 31 11.450 -3.089 11.135 1.00 0.00 H new ATOM 0 HA MET A 31 12.931 -4.810 9.437 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.980 -4.901 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.343 -4.371 9.753 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.293 -2.886 8.338 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.709 -1.953 8.778 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.915 -1.952 5.308 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.165 -1.031 6.811 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.185 -0.708 5.389 1.00 0.00 H new ATOM 454 N HIS A 32 12.995 -1.600 8.760 1.00 0.00 N ATOM 455 CA HIS A 32 13.653 -0.581 7.950 1.00 0.00 C ATOM 456 C HIS A 32 15.149 -0.857 7.840 1.00 0.00 C ATOM 457 O HIS A 32 15.698 -0.933 6.740 1.00 0.00 O ATOM 458 CB HIS A 32 13.421 0.806 8.551 1.00 0.00 C ATOM 459 CG HIS A 32 12.048 1.347 8.295 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.346 1.101 7.134 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.246 2.125 9.060 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.173 1.705 7.195 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.087 2.333 8.354 1.00 0.00 N ATOM 0 H HIS A 32 12.421 -1.231 9.518 1.00 0.00 H new ATOM 0 HA HIS A 32 13.221 -0.612 6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.590 0.760 9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.157 1.498 8.142 1.00 0.00 H new ATOM 0 HD1 HIS A 32 11.680 0.540 6.350 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.475 2.510 10.043 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.413 1.688 6.428 1.00 0.00 H new ATOM 471 N LEU A 33 15.804 -1.005 8.986 1.00 0.00 N ATOM 472 CA LEU A 33 17.238 -1.272 9.019 1.00 0.00 C ATOM 473 C LEU A 33 17.617 -2.336 7.994 1.00 0.00 C ATOM 474 O LEU A 33 16.755 -3.028 7.455 1.00 0.00 O ATOM 475 CB LEU A 33 17.661 -1.721 10.419 1.00 0.00 C ATOM 476 CG LEU A 33 17.254 -0.802 11.571 1.00 0.00 C ATOM 477 CD1 LEU A 33 17.365 -1.531 12.901 1.00 0.00 C ATOM 478 CD2 LEU A 33 18.110 0.456 11.577 1.00 0.00 C ATOM 0 H LEU A 33 15.365 -0.945 9.905 1.00 0.00 H new ATOM 0 HA LEU A 33 17.761 -0.349 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.241 -2.710 10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.746 -1.828 10.432 1.00 0.00 H new ATOM 0 HG LEU A 33 16.214 -0.509 11.427 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.071 -0.861 13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.709 -2.401 12.895 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.395 -1.854 13.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.807 1.099 12.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.158 0.182 11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.979 0.990 10.636 1.00 0.00 H new ATOM 490 N GLY A 34 18.915 -2.462 7.732 1.00 0.00 N ATOM 491 CA GLY A 34 19.386 -3.446 6.775 1.00 0.00 C ATOM 492 C GLY A 34 19.682 -4.786 7.418 1.00 0.00 C ATOM 493 O GLY A 34 20.580 -4.898 8.254 1.00 0.00 O ATOM 0 H GLY A 34 19.648 -1.900 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.635 -3.579 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.287 -3.073 6.289 1.00 0.00 H new ATOM 497 N LEU A 35 18.925 -5.806 7.030 1.00 0.00 N ATOM 498 CA LEU A 35 19.109 -7.147 7.576 1.00 0.00 C ATOM 499 C LEU A 35 19.827 -8.048 6.577 1.00 0.00 C ATOM 500 O LEU A 35 20.889 -8.597 6.873 1.00 0.00 O ATOM 501 CB LEU A 35 17.757 -7.757 7.950 1.00 0.00 C ATOM 502 CG LEU A 35 17.250 -7.454 9.361 1.00 0.00 C ATOM 503 CD1 LEU A 35 16.627 -6.068 9.418 1.00 0.00 C ATOM 504 CD2 LEU A 35 16.249 -8.510 9.806 1.00 0.00 C ATOM 0 H LEU A 35 18.178 -5.731 6.340 1.00 0.00 H new ATOM 0 HA LEU A 35 19.724 -7.066 8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.013 -7.406 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 35 17.825 -8.839 7.835 1.00 0.00 H new ATOM 0 HG LEU A 35 18.099 -7.476 10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.272 -5.870 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.373 -5.322 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.789 -6.017 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.899 -8.278 10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.402 -8.520 9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.728 -9.489 9.805 1.00 0.00 H new ATOM 516 N ARG A 36 19.243 -8.193 5.392 1.00 0.00 N ATOM 517 CA ARG A 36 19.827 -9.026 4.349 1.00 0.00 C ATOM 518 C ARG A 36 19.868 -8.282 3.017 1.00 0.00 C ATOM 519 O ARG A 36 19.012 -7.450 2.717 1.00 0.00 O ATOM 520 CB ARG A 36 19.031 -10.324 4.196 1.00 0.00 C ATOM 521 CG ARG A 36 19.485 -11.431 5.134 1.00 0.00 C ATOM 522 CD ARG A 36 18.745 -11.374 6.462 1.00 0.00 C ATOM 523 NE ARG A 36 19.086 -12.500 7.327 1.00 0.00 N ATOM 524 CZ ARG A 36 18.540 -13.705 7.214 1.00 0.00 C ATOM 525 NH1 ARG A 36 17.632 -13.940 6.276 1.00 0.00 N ATOM 526 NH2 ARG A 36 18.903 -14.679 8.039 1.00 0.00 N ATOM 0 H ARG A 36 18.365 -7.744 5.131 1.00 0.00 H new ATOM 0 HA ARG A 36 20.849 -9.267 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.976 -10.117 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.116 -10.673 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 36 19.317 -12.400 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.557 -11.344 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.985 -10.440 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.671 -11.370 6.278 1.00 0.00 H new ATOM 0 HE ARG A 36 19.782 -12.353 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.352 -13.194 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.214 -14.867 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.602 -14.502 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.483 -15.604 7.952 1.00 0.00 H new ATOM 540 N PRO A 37 20.886 -8.587 2.199 1.00 0.00 N ATOM 541 CA PRO A 37 21.063 -7.958 0.887 1.00 0.00 C ATOM 542 C PRO A 37 19.999 -8.397 -0.114 1.00 0.00 C ATOM 543 O PRO A 37 19.740 -7.708 -1.101 1.00 0.00 O ATOM 544 CB PRO A 37 22.445 -8.443 0.444 1.00 0.00 C ATOM 545 CG PRO A 37 22.648 -9.727 1.173 1.00 0.00 C ATOM 546 CD PRO A 37 21.943 -9.569 2.492 1.00 0.00 C ATOM 0 HA PRO A 37 20.974 -6.873 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.486 -8.590 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 37 23.219 -7.718 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 37 22.238 -10.565 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 37 23.709 -9.929 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 21.528 -10.514 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 37 22.619 -9.212 3.269 1.00 0.00 H new ATOM 554 N TYR A 38 19.385 -9.546 0.148 1.00 0.00 N ATOM 555 CA TYR A 38 18.350 -10.077 -0.732 1.00 0.00 C ATOM 556 C TYR A 38 16.979 -10.002 -0.066 1.00 0.00 C ATOM 557 O TYR A 38 16.778 -10.527 1.028 1.00 0.00 O ATOM 558 CB TYR A 38 18.668 -11.524 -1.111 1.00 0.00 C ATOM 559 CG TYR A 38 20.065 -11.715 -1.656 1.00 0.00 C ATOM 560 CD1 TYR A 38 20.327 -11.578 -3.014 1.00 0.00 C ATOM 561 CD2 TYR A 38 21.123 -12.031 -0.814 1.00 0.00 C ATOM 562 CE1 TYR A 38 21.601 -11.752 -3.517 1.00 0.00 C ATOM 563 CE2 TYR A 38 22.402 -12.206 -1.308 1.00 0.00 C ATOM 564 CZ TYR A 38 22.636 -12.066 -2.660 1.00 0.00 C ATOM 565 OH TYR A 38 23.907 -12.239 -3.156 1.00 0.00 O ATOM 0 H TYR A 38 19.586 -10.127 0.962 1.00 0.00 H new ATOM 0 HA TYR A 38 18.328 -9.468 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 38 18.540 -12.157 -0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.947 -11.862 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 38 19.520 -11.331 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.943 -12.142 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 38 21.786 -11.643 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 38 23.214 -12.451 -0.639 1.00 0.00 H new ATOM 0 HH TYR A 38 24.518 -12.455 -2.421 1.00 0.00 H new ATOM 575 N GLY A 39 16.038 -9.345 -0.738 1.00 0.00 N ATOM 576 CA GLY A 39 14.697 -9.213 -0.198 1.00 0.00 C ATOM 577 C GLY A 39 13.626 -9.483 -1.235 1.00 0.00 C ATOM 578 O GLY A 39 13.693 -8.976 -2.355 1.00 0.00 O ATOM 0 H GLY A 39 16.180 -8.902 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.574 -9.905 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.567 -8.207 0.201 1.00 0.00 H new ATOM 582 N CYS A 40 12.634 -10.287 -0.864 1.00 0.00 N ATOM 583 CA CYS A 40 11.544 -10.626 -1.771 1.00 0.00 C ATOM 584 C CYS A 40 10.519 -9.498 -1.835 1.00 0.00 C ATOM 585 O CYS A 40 9.735 -9.304 -0.906 1.00 0.00 O ATOM 586 CB CYS A 40 10.866 -11.922 -1.324 1.00 0.00 C ATOM 587 SG CYS A 40 9.335 -12.312 -2.232 1.00 0.00 S ATOM 0 H CYS A 40 12.563 -10.716 0.059 1.00 0.00 H new ATOM 0 HA CYS A 40 11.964 -10.768 -2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.568 -12.747 -1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.637 -11.852 -0.261 1.00 0.00 H new ATOM 592 N GLY A 41 10.530 -8.756 -2.938 1.00 0.00 N ATOM 593 CA GLY A 41 9.597 -7.657 -3.103 1.00 0.00 C ATOM 594 C GLY A 41 8.230 -8.121 -3.566 1.00 0.00 C ATOM 595 O GLY A 41 7.546 -7.417 -4.308 1.00 0.00 O ATOM 0 H GLY A 41 11.169 -8.897 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.496 -7.126 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.000 -6.947 -3.825 1.00 0.00 H new ATOM 599 N VAL A 42 7.832 -9.311 -3.128 1.00 0.00 N ATOM 600 CA VAL A 42 6.538 -9.869 -3.503 1.00 0.00 C ATOM 601 C VAL A 42 5.704 -10.199 -2.270 1.00 0.00 C ATOM 602 O VAL A 42 4.506 -9.917 -2.223 1.00 0.00 O ATOM 603 CB VAL A 42 6.701 -11.143 -4.354 1.00 0.00 C ATOM 604 CG1 VAL A 42 5.341 -11.701 -4.745 1.00 0.00 C ATOM 605 CG2 VAL A 42 7.543 -10.854 -5.587 1.00 0.00 C ATOM 0 H VAL A 42 8.387 -9.907 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 42 6.025 -9.110 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 42 7.217 -11.895 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.476 -12.601 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.776 -11.946 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.795 -10.956 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.648 -11.764 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.056 -10.086 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.529 -10.504 -5.281 1.00 0.00 H new ATOM 615 N CYS A 43 6.345 -10.797 -1.271 1.00 0.00 N ATOM 616 CA CYS A 43 5.664 -11.166 -0.036 1.00 0.00 C ATOM 617 C CYS A 43 6.232 -10.392 1.150 1.00 0.00 C ATOM 618 O CYS A 43 5.496 -9.984 2.049 1.00 0.00 O ATOM 619 CB CYS A 43 5.793 -12.670 0.213 1.00 0.00 C ATOM 620 SG CYS A 43 7.442 -13.190 0.786 1.00 0.00 S ATOM 0 H CYS A 43 7.336 -11.036 -1.293 1.00 0.00 H new ATOM 0 HA CYS A 43 4.609 -10.912 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.052 -12.970 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.556 -13.202 -0.709 1.00 0.00 H new ATOM 625 N GLY A 44 7.546 -10.194 1.146 1.00 0.00 N ATOM 626 CA GLY A 44 8.191 -9.470 2.226 1.00 0.00 C ATOM 627 C GLY A 44 9.214 -10.314 2.960 1.00 0.00 C ATOM 628 O GLY A 44 9.430 -10.138 4.159 1.00 0.00 O ATOM 0 H GLY A 44 8.176 -10.522 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.679 -8.582 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.435 -9.126 2.932 1.00 0.00 H new ATOM 632 N LYS A 45 9.845 -11.235 2.239 1.00 0.00 N ATOM 633 CA LYS A 45 10.851 -12.111 2.828 1.00 0.00 C ATOM 634 C LYS A 45 12.258 -11.599 2.534 1.00 0.00 C ATOM 635 O LYS A 45 12.434 -10.608 1.825 1.00 0.00 O ATOM 636 CB LYS A 45 10.693 -13.536 2.293 1.00 0.00 C ATOM 637 CG LYS A 45 9.756 -14.397 3.123 1.00 0.00 C ATOM 638 CD LYS A 45 10.146 -15.864 3.060 1.00 0.00 C ATOM 639 CE LYS A 45 9.727 -16.606 4.320 1.00 0.00 C ATOM 640 NZ LYS A 45 10.734 -16.463 5.408 1.00 0.00 N ATOM 0 H LYS A 45 9.677 -11.394 1.246 1.00 0.00 H new ATOM 0 HA LYS A 45 10.704 -12.117 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.321 -13.492 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.673 -14.012 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.772 -14.059 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.734 -14.275 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.680 -16.329 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.225 -15.950 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.765 -16.225 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.588 -17.662 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.412 -16.983 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.646 -16.849 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.848 -15.457 5.645 1.00 0.00 H new ATOM 654 N LYS A 46 13.257 -12.281 3.083 1.00 0.00 N ATOM 655 CA LYS A 46 14.649 -11.898 2.878 1.00 0.00 C ATOM 656 C LYS A 46 15.576 -13.095 3.063 1.00 0.00 C ATOM 657 O LYS A 46 15.234 -14.057 3.751 1.00 0.00 O ATOM 658 CB LYS A 46 15.041 -10.781 3.848 1.00 0.00 C ATOM 659 CG LYS A 46 14.261 -9.494 3.640 1.00 0.00 C ATOM 660 CD LYS A 46 15.014 -8.292 4.186 1.00 0.00 C ATOM 661 CE LYS A 46 16.040 -7.777 3.188 1.00 0.00 C ATOM 662 NZ LYS A 46 16.249 -6.308 3.315 1.00 0.00 N ATOM 0 H LYS A 46 13.129 -13.102 3.674 1.00 0.00 H new ATOM 0 HA LYS A 46 14.753 -11.535 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.888 -11.128 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.105 -10.573 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.069 -9.352 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.291 -9.571 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.308 -7.497 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.514 -8.566 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.988 -8.293 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.711 -8.011 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.255 -6.087 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.682 -5.813 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.956 -5.996 4.263 1.00 0.00 H new ATOM 676 N PHE A 47 16.752 -13.028 2.447 1.00 0.00 N ATOM 677 CA PHE A 47 17.728 -14.107 2.545 1.00 0.00 C ATOM 678 C PHE A 47 19.151 -13.559 2.489 1.00 0.00 C ATOM 679 O PHE A 47 19.428 -12.586 1.786 1.00 0.00 O ATOM 680 CB PHE A 47 17.516 -15.120 1.418 1.00 0.00 C ATOM 681 CG PHE A 47 16.094 -15.590 1.295 1.00 0.00 C ATOM 682 CD1 PHE A 47 15.103 -14.731 0.850 1.00 0.00 C ATOM 683 CD2 PHE A 47 15.750 -16.891 1.625 1.00 0.00 C ATOM 684 CE1 PHE A 47 13.794 -15.161 0.737 1.00 0.00 C ATOM 685 CE2 PHE A 47 14.443 -17.327 1.513 1.00 0.00 C ATOM 686 CZ PHE A 47 13.464 -16.460 1.067 1.00 0.00 C ATOM 0 H PHE A 47 17.052 -12.238 1.875 1.00 0.00 H new ATOM 0 HA PHE A 47 17.586 -14.606 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 47 17.825 -14.671 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 47 18.162 -15.981 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 47 15.356 -13.714 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.512 -17.572 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.030 -14.481 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.188 -18.343 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.442 -16.798 0.977 1.00 0.00 H new ATOM 696 N LYS A 48 20.051 -14.189 3.236 1.00 0.00 N ATOM 697 CA LYS A 48 21.446 -13.767 3.273 1.00 0.00 C ATOM 698 C LYS A 48 22.132 -14.037 1.938 1.00 0.00 C ATOM 699 O LYS A 48 22.847 -13.184 1.413 1.00 0.00 O ATOM 700 CB LYS A 48 22.191 -14.492 4.397 1.00 0.00 C ATOM 701 CG LYS A 48 23.441 -13.768 4.865 1.00 0.00 C ATOM 702 CD LYS A 48 23.132 -12.791 5.987 1.00 0.00 C ATOM 703 CE LYS A 48 24.099 -11.617 5.986 1.00 0.00 C ATOM 704 NZ LYS A 48 25.336 -11.916 6.759 1.00 0.00 N ATOM 0 H LYS A 48 19.839 -14.995 3.825 1.00 0.00 H new ATOM 0 HA LYS A 48 21.469 -12.694 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.517 -14.620 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.466 -15.490 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.177 -14.495 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.887 -13.232 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.112 -12.423 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.186 -13.307 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.364 -11.366 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.608 -10.742 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.969 -11.091 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.086 -12.131 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.819 -12.735 6.338 1.00 0.00 H new ATOM 718 N MET A 49 21.908 -15.229 1.393 1.00 0.00 N ATOM 719 CA MET A 49 22.503 -15.609 0.117 1.00 0.00 C ATOM 720 C MET A 49 21.523 -15.380 -1.029 1.00 0.00 C ATOM 721 O MET A 49 20.326 -15.195 -0.809 1.00 0.00 O ATOM 722 CB MET A 49 22.935 -17.076 0.149 1.00 0.00 C ATOM 723 CG MET A 49 23.937 -17.391 1.247 1.00 0.00 C ATOM 724 SD MET A 49 25.540 -16.614 0.968 1.00 0.00 S ATOM 725 CE MET A 49 26.285 -16.783 2.588 1.00 0.00 C ATOM 0 H MET A 49 21.319 -15.947 1.815 1.00 0.00 H new ATOM 0 HA MET A 49 23.380 -14.983 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 49 22.053 -17.703 0.282 1.00 0.00 H new ATOM 0 HB3 MET A 49 23.370 -17.339 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.538 -17.057 2.205 1.00 0.00 H new ATOM 0 HG3 MET A 49 24.068 -18.471 1.315 1.00 0.00 H new ATOM 0 HE1 MET A 49 27.284 -16.348 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 49 25.672 -16.265 3.326 1.00 0.00 H new ATOM 0 HE3 MET A 49 26.352 -17.839 2.849 1.00 0.00 H new ATOM 735 N LYS A 50 22.038 -15.394 -2.254 1.00 0.00 N ATOM 736 CA LYS A 50 21.209 -15.189 -3.436 1.00 0.00 C ATOM 737 C LYS A 50 20.447 -16.461 -3.793 1.00 0.00 C ATOM 738 O LYS A 50 19.300 -16.406 -4.238 1.00 0.00 O ATOM 739 CB LYS A 50 22.073 -14.750 -4.620 1.00 0.00 C ATOM 740 CG LYS A 50 23.269 -15.652 -4.868 1.00 0.00 C ATOM 741 CD LYS A 50 23.616 -15.724 -6.346 1.00 0.00 C ATOM 742 CE LYS A 50 22.438 -16.218 -7.172 1.00 0.00 C ATOM 743 NZ LYS A 50 22.879 -16.826 -8.458 1.00 0.00 N ATOM 0 H LYS A 50 23.027 -15.545 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 50 20.486 -14.405 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.456 -14.723 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.425 -13.734 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.128 -15.281 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.054 -16.653 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.920 -14.738 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 50 24.467 -16.390 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.874 -16.953 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.763 -15.387 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.047 -17.150 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.395 -16.118 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.503 -17.635 -8.264 1.00 0.00 H new ATOM 757 N HIS A 51 21.091 -17.607 -3.595 1.00 0.00 N ATOM 758 CA HIS A 51 20.472 -18.894 -3.894 1.00 0.00 C ATOM 759 C HIS A 51 19.382 -19.222 -2.878 1.00 0.00 C ATOM 760 O HIS A 51 18.428 -19.937 -3.185 1.00 0.00 O ATOM 761 CB HIS A 51 21.527 -20.001 -3.905 1.00 0.00 C ATOM 762 CG HIS A 51 22.577 -19.837 -2.849 1.00 0.00 C ATOM 763 ND1 HIS A 51 23.813 -19.280 -3.097 1.00 0.00 N ATOM 764 CD2 HIS A 51 22.568 -20.161 -1.535 1.00 0.00 C ATOM 765 CE1 HIS A 51 24.521 -19.269 -1.982 1.00 0.00 C ATOM 766 NE2 HIS A 51 23.787 -19.798 -1.018 1.00 0.00 N ATOM 0 H HIS A 51 22.041 -17.671 -3.229 1.00 0.00 H new ATOM 0 HA HIS A 51 20.015 -18.829 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 51 21.034 -20.963 -3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 51 22.007 -20.024 -4.883 1.00 0.00 H new ATOM 0 HD1 HIS A 51 24.131 -18.931 -4.001 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.754 -20.620 -0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 51 25.528 -18.892 -1.876 1.00 0.00 H new ATOM 774 N HIS A 52 19.532 -18.696 -1.667 1.00 0.00 N ATOM 775 CA HIS A 52 18.560 -18.934 -0.605 1.00 0.00 C ATOM 776 C HIS A 52 17.242 -18.229 -0.907 1.00 0.00 C ATOM 777 O HIS A 52 16.183 -18.637 -0.428 1.00 0.00 O ATOM 778 CB HIS A 52 19.113 -18.455 0.738 1.00 0.00 C ATOM 779 CG HIS A 52 20.068 -19.419 1.371 1.00 0.00 C ATOM 780 ND1 HIS A 52 21.199 -19.020 2.052 1.00 0.00 N ATOM 781 CD2 HIS A 52 20.055 -20.771 1.425 1.00 0.00 C ATOM 782 CE1 HIS A 52 21.841 -20.085 2.497 1.00 0.00 C ATOM 783 NE2 HIS A 52 21.168 -21.161 2.130 1.00 0.00 N ATOM 0 H HIS A 52 20.316 -18.103 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 52 18.373 -20.007 -0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 52 19.617 -17.499 0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 52 18.282 -18.278 1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 52 19.309 -21.422 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 52 22.760 -20.078 3.064 1.00 0.00 H new ATOM 0 HE2 HIS A 52 21.432 -22.124 2.336 1.00 0.00 H new ATOM 791 N LEU A 53 17.313 -17.167 -1.702 1.00 0.00 N ATOM 792 CA LEU A 53 16.125 -16.404 -2.068 1.00 0.00 C ATOM 793 C LEU A 53 15.408 -17.046 -3.252 1.00 0.00 C ATOM 794 O LEU A 53 14.179 -17.103 -3.290 1.00 0.00 O ATOM 795 CB LEU A 53 16.506 -14.962 -2.409 1.00 0.00 C ATOM 796 CG LEU A 53 15.418 -14.120 -3.076 1.00 0.00 C ATOM 797 CD1 LEU A 53 14.306 -13.803 -2.088 1.00 0.00 C ATOM 798 CD2 LEU A 53 16.009 -12.839 -3.646 1.00 0.00 C ATOM 0 H LEU A 53 18.181 -16.815 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 53 15.447 -16.402 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.813 -14.462 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 53 17.375 -14.983 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 53 14.992 -14.697 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.541 -13.203 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.863 -14.732 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.716 -13.247 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.220 -12.252 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.463 -12.259 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.768 -13.087 -4.388 1.00 0.00 H new ATOM 810 N VAL A 54 16.185 -17.530 -4.216 1.00 0.00 N ATOM 811 CA VAL A 54 15.624 -18.171 -5.399 1.00 0.00 C ATOM 812 C VAL A 54 14.714 -19.332 -5.016 1.00 0.00 C ATOM 813 O VAL A 54 13.581 -19.428 -5.486 1.00 0.00 O ATOM 814 CB VAL A 54 16.733 -18.689 -6.334 1.00 0.00 C ATOM 815 CG1 VAL A 54 16.162 -19.671 -7.346 1.00 0.00 C ATOM 816 CG2 VAL A 54 17.423 -17.529 -7.036 1.00 0.00 C ATOM 0 H VAL A 54 17.204 -17.490 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 54 15.040 -17.414 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 54 17.476 -19.214 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 54 16.960 -20.026 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.718 -20.517 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.399 -19.174 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 54 18.204 -17.913 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.693 -16.975 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.867 -16.867 -6.293 1.00 0.00 H new ATOM 826 N GLY A 55 15.217 -20.213 -4.157 1.00 0.00 N ATOM 827 CA GLY A 55 14.436 -21.357 -3.724 1.00 0.00 C ATOM 828 C GLY A 55 13.092 -20.957 -3.148 1.00 0.00 C ATOM 829 O GLY A 55 12.219 -21.801 -2.944 1.00 0.00 O ATOM 0 H GLY A 55 16.152 -20.155 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.281 -22.028 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.998 -21.914 -2.974 1.00 0.00 H new ATOM 833 N HIS A 56 12.925 -19.665 -2.883 1.00 0.00 N ATOM 834 CA HIS A 56 11.678 -19.154 -2.325 1.00 0.00 C ATOM 835 C HIS A 56 10.897 -18.366 -3.373 1.00 0.00 C ATOM 836 O HIS A 56 9.670 -18.446 -3.436 1.00 0.00 O ATOM 837 CB HIS A 56 11.962 -18.269 -1.111 1.00 0.00 C ATOM 838 CG HIS A 56 10.897 -17.248 -0.852 1.00 0.00 C ATOM 839 ND1 HIS A 56 9.761 -17.515 -0.117 1.00 0.00 N ATOM 840 CD2 HIS A 56 10.800 -15.953 -1.234 1.00 0.00 C ATOM 841 CE1 HIS A 56 9.012 -16.428 -0.059 1.00 0.00 C ATOM 842 NE2 HIS A 56 9.620 -15.466 -0.729 1.00 0.00 N ATOM 0 H HIS A 56 13.637 -18.953 -3.046 1.00 0.00 H new ATOM 0 HA HIS A 56 11.074 -20.005 -2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 56 12.071 -18.900 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 56 12.914 -17.759 -1.258 1.00 0.00 H new ATOM 0 HD1 HIS A 56 9.534 -18.411 0.314 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.518 -15.405 -1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.063 -16.341 0.450 1.00 0.00 H new ATOM 850 N MET A 57 11.616 -17.606 -4.192 1.00 0.00 N ATOM 851 CA MET A 57 10.989 -16.804 -5.237 1.00 0.00 C ATOM 852 C MET A 57 10.195 -17.685 -6.195 1.00 0.00 C ATOM 853 O MET A 57 9.246 -17.229 -6.833 1.00 0.00 O ATOM 854 CB MET A 57 12.049 -16.016 -6.009 1.00 0.00 C ATOM 855 CG MET A 57 12.898 -15.114 -5.128 1.00 0.00 C ATOM 856 SD MET A 57 12.272 -13.425 -5.055 1.00 0.00 S ATOM 857 CE MET A 57 10.529 -13.722 -4.769 1.00 0.00 C ATOM 0 H MET A 57 12.632 -17.528 -4.153 1.00 0.00 H new ATOM 0 HA MET A 57 10.302 -16.105 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.700 -16.716 -6.533 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.557 -15.409 -6.769 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.935 -15.527 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.921 -15.102 -5.505 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.013 -12.770 -4.647 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.107 -14.257 -5.619 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.405 -14.320 -3.866 1.00 0.00 H new ATOM 867 N LYS A 58 10.590 -18.950 -6.294 1.00 0.00 N ATOM 868 CA LYS A 58 9.914 -19.896 -7.174 1.00 0.00 C ATOM 869 C LYS A 58 8.449 -20.054 -6.782 1.00 0.00 C ATOM 870 O LYS A 58 7.670 -20.685 -7.497 1.00 0.00 O ATOM 871 CB LYS A 58 10.615 -21.256 -7.128 1.00 0.00 C ATOM 872 CG LYS A 58 10.780 -21.808 -5.723 1.00 0.00 C ATOM 873 CD LYS A 58 11.738 -22.987 -5.696 1.00 0.00 C ATOM 874 CE LYS A 58 11.062 -24.266 -6.167 1.00 0.00 C ATOM 875 NZ LYS A 58 11.200 -24.458 -7.637 1.00 0.00 N ATOM 0 H LYS A 58 11.375 -19.344 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 58 9.959 -19.504 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.046 -21.969 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.597 -21.165 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.150 -21.023 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.809 -22.118 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.597 -22.773 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.117 -23.126 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.497 -25.119 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.005 -24.237 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.270 -24.679 -8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.570 -23.587 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.857 -25.242 -7.825 1.00 0.00 H new ATOM 889 N ILE A 59 8.080 -19.476 -5.644 1.00 0.00 N ATOM 890 CA ILE A 59 6.708 -19.551 -5.159 1.00 0.00 C ATOM 891 C ILE A 59 5.864 -18.410 -5.718 1.00 0.00 C ATOM 892 O ILE A 59 4.635 -18.477 -5.723 1.00 0.00 O ATOM 893 CB ILE A 59 6.651 -19.510 -3.620 1.00 0.00 C ATOM 894 CG1 ILE A 59 6.714 -18.064 -3.124 1.00 0.00 C ATOM 895 CG2 ILE A 59 7.787 -20.329 -3.026 1.00 0.00 C ATOM 896 CD1 ILE A 59 6.595 -17.935 -1.622 1.00 0.00 C ATOM 0 H ILE A 59 8.712 -18.950 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 59 6.303 -20.502 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 59 5.706 -19.945 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.656 -17.619 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.914 -17.492 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.733 -20.290 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.701 -21.364 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.742 -19.920 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.648 -16.883 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.641 -18.350 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.410 -18.479 -1.144 1.00 0.00 H new ATOM 908 N HIS A 60 6.533 -17.363 -6.190 1.00 0.00 N ATOM 909 CA HIS A 60 5.845 -16.207 -6.755 1.00 0.00 C ATOM 910 C HIS A 60 5.974 -16.188 -8.275 1.00 0.00 C ATOM 911 O HIS A 60 5.063 -15.753 -8.980 1.00 0.00 O ATOM 912 CB HIS A 60 6.410 -14.914 -6.167 1.00 0.00 C ATOM 913 CG HIS A 60 6.323 -14.846 -4.673 1.00 0.00 C ATOM 914 ND1 HIS A 60 5.136 -14.970 -3.982 1.00 0.00 N ATOM 915 CD2 HIS A 60 7.285 -14.669 -3.737 1.00 0.00 C ATOM 916 CE1 HIS A 60 5.371 -14.870 -2.686 1.00 0.00 C ATOM 917 NE2 HIS A 60 6.667 -14.687 -2.511 1.00 0.00 N ATOM 0 H HIS A 60 7.550 -17.291 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 60 4.788 -16.282 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.453 -14.814 -6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.873 -14.066 -6.593 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.220 -15.116 -4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.341 -14.538 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.630 -14.928 -1.903 1.00 0.00 H new ATOM 925 N THR A 61 7.111 -16.661 -8.774 1.00 0.00 N ATOM 926 CA THR A 61 7.360 -16.696 -10.210 1.00 0.00 C ATOM 927 C THR A 61 6.086 -17.027 -10.980 1.00 0.00 C ATOM 928 O THR A 61 5.212 -17.732 -10.480 1.00 0.00 O ATOM 929 CB THR A 61 8.445 -17.730 -10.567 1.00 0.00 C ATOM 930 OG1 THR A 61 8.154 -18.983 -9.938 1.00 0.00 O ATOM 931 CG2 THR A 61 9.819 -17.244 -10.131 1.00 0.00 C ATOM 0 H THR A 61 7.875 -17.026 -8.205 1.00 0.00 H new ATOM 0 HA THR A 61 7.707 -15.703 -10.495 1.00 0.00 H new ATOM 0 HB THR A 61 8.450 -17.861 -11.649 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.847 -19.635 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.569 -17.990 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.050 -16.305 -10.635 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.824 -17.088 -9.052 1.00 0.00 H new ATOM 939 N GLY A 62 5.989 -16.512 -12.202 1.00 0.00 N ATOM 940 CA GLY A 62 4.819 -16.764 -13.023 1.00 0.00 C ATOM 941 C GLY A 62 4.515 -15.618 -13.967 1.00 0.00 C ATOM 942 O GLY A 62 4.619 -14.450 -13.590 1.00 0.00 O ATOM 0 H GLY A 62 6.700 -15.925 -12.638 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.974 -17.675 -13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.957 -16.938 -12.378 1.00 0.00 H new ATOM 946 N ILE A 63 4.140 -15.951 -15.197 1.00 0.00 N ATOM 947 CA ILE A 63 3.821 -14.940 -16.198 1.00 0.00 C ATOM 948 C ILE A 63 2.488 -14.265 -15.892 1.00 0.00 C ATOM 949 O ILE A 63 1.555 -14.900 -15.400 1.00 0.00 O ATOM 950 CB ILE A 63 3.762 -15.547 -17.612 1.00 0.00 C ATOM 951 CG1 ILE A 63 5.111 -16.168 -17.980 1.00 0.00 C ATOM 952 CG2 ILE A 63 3.367 -14.486 -18.628 1.00 0.00 C ATOM 953 CD1 ILE A 63 5.055 -17.052 -19.207 1.00 0.00 C ATOM 0 H ILE A 63 4.049 -16.913 -15.525 1.00 0.00 H new ATOM 0 HA ILE A 63 4.619 -14.198 -16.162 1.00 0.00 H new ATOM 0 HB ILE A 63 3.006 -16.332 -17.623 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.835 -15.371 -18.149 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.474 -16.754 -17.136 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.330 -14.931 -19.623 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.386 -14.085 -18.373 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.102 -13.681 -18.618 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.046 -17.458 -19.409 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.356 -17.870 -19.034 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.722 -16.465 -20.063 1.00 0.00 H new ATOM 965 N LYS A 64 2.405 -12.972 -16.187 1.00 0.00 N ATOM 966 CA LYS A 64 1.186 -12.209 -15.947 1.00 0.00 C ATOM 967 C LYS A 64 0.466 -11.907 -17.257 1.00 0.00 C ATOM 968 O LYS A 64 0.768 -10.934 -17.949 1.00 0.00 O ATOM 969 CB LYS A 64 1.513 -10.903 -15.219 1.00 0.00 C ATOM 970 CG LYS A 64 1.647 -11.062 -13.714 1.00 0.00 C ATOM 971 CD LYS A 64 3.079 -11.372 -13.312 1.00 0.00 C ATOM 972 CE LYS A 64 3.370 -10.913 -11.891 1.00 0.00 C ATOM 973 NZ LYS A 64 2.743 -11.808 -10.880 1.00 0.00 N ATOM 0 H LYS A 64 3.168 -12.430 -16.593 1.00 0.00 H new ATOM 0 HA LYS A 64 0.527 -12.811 -15.322 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.443 -10.498 -15.617 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.731 -10.173 -15.431 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.319 -10.147 -13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.991 -11.862 -13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.257 -12.444 -13.393 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.766 -10.882 -14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.448 -10.885 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.001 -9.896 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.964 -11.462 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.712 -11.816 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.114 -12.773 -10.993 1.00 0.00 H new ATOM 987 N PRO A 65 -0.510 -12.757 -17.607 1.00 0.00 N ATOM 988 CA PRO A 65 -1.295 -12.600 -18.835 1.00 0.00 C ATOM 989 C PRO A 65 -2.230 -11.397 -18.776 1.00 0.00 C ATOM 990 O PRO A 65 -2.603 -10.837 -19.807 1.00 0.00 O ATOM 991 CB PRO A 65 -2.100 -13.900 -18.910 1.00 0.00 C ATOM 992 CG PRO A 65 -2.201 -14.365 -17.499 1.00 0.00 C ATOM 993 CD PRO A 65 -0.924 -13.937 -16.829 1.00 0.00 C ATOM 0 HA PRO A 65 -0.661 -12.424 -19.704 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.086 -13.731 -19.342 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.600 -14.640 -19.536 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.067 -13.926 -17.004 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.322 -15.447 -17.453 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.084 -13.690 -15.779 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.170 -14.724 -16.860 1.00 0.00 H new ATOM 1001 N TYR A 66 -2.605 -11.005 -17.564 1.00 0.00 N ATOM 1002 CA TYR A 66 -3.499 -9.869 -17.371 1.00 0.00 C ATOM 1003 C TYR A 66 -2.730 -8.649 -16.871 1.00 0.00 C ATOM 1004 O TYR A 66 -1.996 -8.726 -15.886 1.00 0.00 O ATOM 1005 CB TYR A 66 -4.607 -10.227 -16.380 1.00 0.00 C ATOM 1006 CG TYR A 66 -5.122 -11.641 -16.533 1.00 0.00 C ATOM 1007 CD1 TYR A 66 -5.532 -12.122 -17.770 1.00 0.00 C ATOM 1008 CD2 TYR A 66 -5.197 -12.496 -15.440 1.00 0.00 C ATOM 1009 CE1 TYR A 66 -6.004 -13.412 -17.914 1.00 0.00 C ATOM 1010 CE2 TYR A 66 -5.666 -13.788 -15.575 1.00 0.00 C ATOM 1011 CZ TYR A 66 -6.069 -14.242 -16.814 1.00 0.00 C ATOM 1012 OH TYR A 66 -6.536 -15.528 -16.953 1.00 0.00 O ATOM 0 H TYR A 66 -2.304 -11.457 -16.700 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.947 -9.625 -18.334 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.232 -10.093 -15.365 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.436 -9.531 -16.508 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.481 -11.476 -18.634 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.883 -12.144 -14.468 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.321 -13.769 -18.883 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.717 -14.440 -14.715 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.516 -15.979 -16.083 1.00 0.00 H new ATOM 1022 N GLU A 67 -2.904 -7.525 -17.559 1.00 0.00 N ATOM 1023 CA GLU A 67 -2.227 -6.289 -17.185 1.00 0.00 C ATOM 1024 C GLU A 67 -3.179 -5.099 -17.272 1.00 0.00 C ATOM 1025 O GLU A 67 -4.032 -5.036 -18.157 1.00 0.00 O ATOM 1026 CB GLU A 67 -1.014 -6.053 -18.088 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.421 -4.660 -17.959 1.00 0.00 C ATOM 1028 CD GLU A 67 0.636 -4.376 -19.009 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.352 -4.584 -20.207 1.00 0.00 O ATOM 1030 OE2 GLU A 67 1.746 -3.948 -18.632 1.00 0.00 O ATOM 0 H GLU A 67 -3.507 -7.445 -18.377 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.890 -6.387 -16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.246 -6.789 -17.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.306 -6.220 -19.125 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.218 -3.921 -18.042 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.017 -4.546 -16.968 1.00 0.00 H new ATOM 1037 N CYS A 68 -3.026 -4.158 -16.346 1.00 0.00 N ATOM 1038 CA CYS A 68 -3.871 -2.970 -16.316 1.00 0.00 C ATOM 1039 C CYS A 68 -3.644 -2.110 -17.555 1.00 0.00 C ATOM 1040 O CYS A 68 -2.792 -2.415 -18.388 1.00 0.00 O ATOM 1041 CB CYS A 68 -3.590 -2.152 -15.054 1.00 0.00 C ATOM 1042 SG CYS A 68 -5.005 -1.156 -14.484 1.00 0.00 S ATOM 0 H CYS A 68 -2.325 -4.195 -15.606 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.912 -3.294 -16.307 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.290 -2.829 -14.254 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.746 -1.489 -15.244 1.00 0.00 H new ATOM 1047 N ASN A 69 -4.414 -1.032 -17.669 1.00 0.00 N ATOM 1048 CA ASN A 69 -4.298 -0.127 -18.807 1.00 0.00 C ATOM 1049 C ASN A 69 -3.746 1.227 -18.371 1.00 0.00 C ATOM 1050 O ASN A 69 -2.978 1.859 -19.097 1.00 0.00 O ATOM 1051 CB ASN A 69 -5.660 0.058 -19.480 1.00 0.00 C ATOM 1052 CG ASN A 69 -6.448 -1.236 -19.554 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -6.326 -1.995 -20.516 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -7.262 -1.492 -18.537 1.00 0.00 N ATOM 0 H ASN A 69 -5.124 -0.764 -16.988 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.604 -0.570 -19.522 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.237 0.801 -18.929 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.515 0.450 -20.487 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.818 -2.347 -18.532 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.331 -0.834 -17.761 1.00 0.00 H new ATOM 1061 N ILE A 70 -4.142 1.665 -17.181 1.00 0.00 N ATOM 1062 CA ILE A 70 -3.686 2.943 -16.647 1.00 0.00 C ATOM 1063 C ILE A 70 -2.290 2.820 -16.045 1.00 0.00 C ATOM 1064 O ILE A 70 -1.343 3.456 -16.509 1.00 0.00 O ATOM 1065 CB ILE A 70 -4.650 3.481 -15.574 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -6.041 3.702 -16.171 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -4.112 4.775 -14.979 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -6.898 2.455 -16.185 1.00 0.00 C ATOM 0 H ILE A 70 -4.777 1.154 -16.568 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.659 3.643 -17.482 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.730 2.742 -14.776 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.553 4.478 -15.602 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.935 4.072 -17.191 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.805 5.143 -14.222 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.140 4.589 -14.522 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.006 5.521 -15.767 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.870 2.686 -16.622 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.408 1.683 -16.778 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.035 2.096 -15.165 1.00 0.00 H new ATOM 1080 N CYS A 71 -2.169 1.997 -15.009 1.00 0.00 N ATOM 1081 CA CYS A 71 -0.890 1.788 -14.342 1.00 0.00 C ATOM 1082 C CYS A 71 -0.107 0.660 -15.008 1.00 0.00 C ATOM 1083 O CYS A 71 1.055 0.419 -14.682 1.00 0.00 O ATOM 1084 CB CYS A 71 -1.108 1.468 -12.862 1.00 0.00 C ATOM 1085 SG CYS A 71 -2.057 -0.058 -12.564 1.00 0.00 S ATOM 0 H CYS A 71 -2.943 1.463 -14.613 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.311 2.708 -14.426 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.138 1.381 -12.373 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.627 2.304 -12.393 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.753 -0.028 -15.944 1.00 0.00 N ATOM 1091 CA ALA A 72 -0.118 -1.129 -16.658 1.00 0.00 C ATOM 1092 C ALA A 72 0.424 -2.173 -15.687 1.00 0.00 C ATOM 1093 O ALA A 72 1.413 -2.849 -15.973 1.00 0.00 O ATOM 1094 CB ALA A 72 0.998 -0.606 -17.550 1.00 0.00 C ATOM 0 H ALA A 72 -1.716 0.158 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.873 -1.608 -17.282 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.463 -1.439 -18.077 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.586 0.097 -18.274 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.746 -0.100 -16.939 1.00 0.00 H new ATOM 1100 N LYS A 73 -0.228 -2.299 -14.536 1.00 0.00 N ATOM 1101 CA LYS A 73 0.187 -3.261 -13.522 1.00 0.00 C ATOM 1102 C LYS A 73 -0.012 -4.691 -14.014 1.00 0.00 C ATOM 1103 O LYS A 73 -0.819 -4.942 -14.909 1.00 0.00 O ATOM 1104 CB LYS A 73 -0.600 -3.041 -12.228 1.00 0.00 C ATOM 1105 CG LYS A 73 0.068 -2.074 -11.267 1.00 0.00 C ATOM 1106 CD LYS A 73 -0.748 -1.897 -9.997 1.00 0.00 C ATOM 1107 CE LYS A 73 -0.103 -0.892 -9.055 1.00 0.00 C ATOM 1108 NZ LYS A 73 1.256 -1.325 -8.627 1.00 0.00 N ATOM 0 H LYS A 73 -1.047 -1.746 -14.282 1.00 0.00 H new ATOM 0 HA LYS A 73 1.248 -3.108 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.593 -2.666 -12.476 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.737 -4.000 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.063 -2.441 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.199 -1.108 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.754 -1.564 -10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.850 -2.857 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.036 0.077 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.735 -0.760 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.578 -0.728 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.223 -2.318 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.917 -1.231 -9.424 1.00 0.00 H new ATOM 1122 N ARG A 74 0.727 -5.624 -13.422 1.00 0.00 N ATOM 1123 CA ARG A 74 0.630 -7.028 -13.801 1.00 0.00 C ATOM 1124 C ARG A 74 -0.025 -7.846 -12.692 1.00 0.00 C ATOM 1125 O ARG A 74 0.287 -7.677 -11.513 1.00 0.00 O ATOM 1126 CB ARG A 74 2.018 -7.591 -14.112 1.00 0.00 C ATOM 1127 CG ARG A 74 2.750 -6.836 -15.209 1.00 0.00 C ATOM 1128 CD ARG A 74 4.217 -7.230 -15.274 1.00 0.00 C ATOM 1129 NE ARG A 74 4.438 -8.376 -16.151 1.00 0.00 N ATOM 1130 CZ ARG A 74 4.573 -8.278 -17.469 1.00 0.00 C ATOM 1131 NH1 ARG A 74 4.512 -7.092 -18.058 1.00 0.00 N ATOM 1132 NH2 ARG A 74 4.772 -9.368 -18.200 1.00 0.00 N ATOM 0 H ARG A 74 1.399 -5.433 -12.679 1.00 0.00 H new ATOM 0 HA ARG A 74 0.009 -7.095 -14.694 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.621 -7.570 -13.204 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.919 -8.636 -14.406 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.275 -7.037 -16.169 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.668 -5.764 -15.031 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.804 -6.383 -15.629 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.573 -7.467 -14.271 1.00 0.00 H new ATOM 0 HE ARG A 74 4.492 -9.303 -15.729 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.361 -6.252 -17.499 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.616 -7.019 -19.070 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.821 -10.282 -17.750 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.875 -9.292 -19.212 1.00 0.00 H new ATOM 1146 N PHE A 75 -0.936 -8.734 -13.078 1.00 0.00 N ATOM 1147 CA PHE A 75 -1.637 -9.577 -12.117 1.00 0.00 C ATOM 1148 C PHE A 75 -1.800 -10.996 -12.655 1.00 0.00 C ATOM 1149 O PHE A 75 -2.227 -11.194 -13.792 1.00 0.00 O ATOM 1150 CB PHE A 75 -3.009 -8.983 -11.790 1.00 0.00 C ATOM 1151 CG PHE A 75 -2.939 -7.615 -11.174 1.00 0.00 C ATOM 1152 CD1 PHE A 75 -2.808 -7.464 -9.803 1.00 0.00 C ATOM 1153 CD2 PHE A 75 -3.002 -6.480 -11.966 1.00 0.00 C ATOM 1154 CE1 PHE A 75 -2.744 -6.207 -9.234 1.00 0.00 C ATOM 1155 CE2 PHE A 75 -2.938 -5.220 -11.402 1.00 0.00 C ATOM 1156 CZ PHE A 75 -2.808 -5.083 -10.034 1.00 0.00 C ATOM 0 H PHE A 75 -1.206 -8.888 -14.050 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.040 -9.619 -11.206 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.601 -8.931 -12.704 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.533 -9.653 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.755 -8.339 -9.172 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.102 -6.581 -13.037 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.644 -6.103 -8.164 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.990 -4.343 -12.031 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.757 -4.099 -9.591 1.00 0.00 H new ATOM 1166 N MET A 76 -1.454 -11.978 -11.829 1.00 0.00 N ATOM 1167 CA MET A 76 -1.562 -13.379 -12.222 1.00 0.00 C ATOM 1168 C MET A 76 -2.999 -13.873 -12.083 1.00 0.00 C ATOM 1169 O MET A 76 -3.484 -14.639 -12.916 1.00 0.00 O ATOM 1170 CB MET A 76 -0.630 -14.242 -11.370 1.00 0.00 C ATOM 1171 CG MET A 76 -0.889 -14.127 -9.877 1.00 0.00 C ATOM 1172 SD MET A 76 0.263 -15.106 -8.895 1.00 0.00 S ATOM 1173 CE MET A 76 -0.275 -16.766 -9.296 1.00 0.00 C ATOM 0 H MET A 76 -1.097 -11.830 -10.885 1.00 0.00 H new ATOM 0 HA MET A 76 -1.267 -13.461 -13.268 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.739 -15.284 -11.670 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.402 -13.958 -11.574 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.817 -13.081 -9.579 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.908 -14.449 -9.663 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.164 -17.471 -8.590 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.362 -16.821 -9.236 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.045 -17.018 -10.307 1.00 0.00 H new ATOM 1183 N TRP A 77 -3.673 -13.430 -11.028 1.00 0.00 N ATOM 1184 CA TRP A 77 -5.054 -13.829 -10.782 1.00 0.00 C ATOM 1185 C TRP A 77 -6.017 -13.016 -11.640 1.00 0.00 C ATOM 1186 O TRP A 77 -5.712 -11.889 -12.033 1.00 0.00 O ATOM 1187 CB TRP A 77 -5.400 -13.655 -9.302 1.00 0.00 C ATOM 1188 CG TRP A 77 -4.409 -14.300 -8.381 1.00 0.00 C ATOM 1189 CD1 TRP A 77 -3.260 -13.744 -7.894 1.00 0.00 C ATOM 1190 CD2 TRP A 77 -4.478 -15.622 -7.837 1.00 0.00 C ATOM 1191 NE1 TRP A 77 -2.611 -14.641 -7.081 1.00 0.00 N ATOM 1192 CE2 TRP A 77 -3.338 -15.801 -7.029 1.00 0.00 C ATOM 1193 CE3 TRP A 77 -5.393 -16.673 -7.953 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 -3.091 -16.987 -6.343 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 -5.145 -17.849 -7.272 1.00 0.00 C ATOM 1196 CH2 TRP A 77 -4.003 -17.999 -6.475 1.00 0.00 C ATOM 0 H TRP A 77 -3.286 -12.795 -10.330 1.00 0.00 H new ATOM 0 HA TRP A 77 -5.156 -14.880 -11.051 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.459 -12.591 -9.073 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.387 -14.077 -9.115 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.913 -12.746 -8.116 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -1.731 -14.471 -6.595 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.277 -16.567 -8.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.211 -17.104 -5.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.844 -18.668 -7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.839 -18.931 -5.955 1.00 0.00 H new ATOM 1207 N ARG A 78 -7.178 -13.593 -11.928 1.00 0.00 N ATOM 1208 CA ARG A 78 -8.185 -12.921 -12.741 1.00 0.00 C ATOM 1209 C ARG A 78 -9.058 -12.011 -11.883 1.00 0.00 C ATOM 1210 O ARG A 78 -9.144 -10.807 -12.127 1.00 0.00 O ATOM 1211 CB ARG A 78 -9.057 -13.950 -13.464 1.00 0.00 C ATOM 1212 CG ARG A 78 -9.790 -13.387 -14.670 1.00 0.00 C ATOM 1213 CD ARG A 78 -10.703 -14.426 -15.303 1.00 0.00 C ATOM 1214 NE ARG A 78 -11.994 -14.504 -14.625 1.00 0.00 N ATOM 1215 CZ ARG A 78 -13.078 -15.047 -15.169 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -13.025 -15.558 -16.392 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -14.217 -15.081 -14.490 1.00 0.00 N ATOM 0 H ARG A 78 -7.445 -14.525 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.669 -12.308 -13.480 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.431 -14.782 -13.786 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.787 -14.353 -12.762 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.378 -12.520 -14.368 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.066 -13.040 -15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.859 -14.180 -16.353 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.218 -15.402 -15.273 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.068 -14.121 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.151 -15.535 -16.917 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.858 -15.974 -16.807 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.262 -14.690 -13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.048 -15.498 -14.909 1.00 0.00 H new ATOM 1231 N ASP A 79 -9.704 -12.594 -10.879 1.00 0.00 N ATOM 1232 CA ASP A 79 -10.570 -11.835 -9.984 1.00 0.00 C ATOM 1233 C ASP A 79 -9.887 -10.550 -9.526 1.00 0.00 C ATOM 1234 O ASP A 79 -10.478 -9.471 -9.571 1.00 0.00 O ATOM 1235 CB ASP A 79 -10.954 -12.683 -8.771 1.00 0.00 C ATOM 1236 CG ASP A 79 -11.288 -14.114 -9.147 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -12.146 -14.309 -10.033 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -10.692 -15.038 -8.555 1.00 0.00 O ATOM 0 H ASP A 79 -9.644 -13.589 -10.665 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.474 -11.569 -10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.132 -12.681 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.812 -12.232 -8.273 1.00 0.00 H new ATOM 1243 N SER A 80 -8.639 -10.674 -9.085 1.00 0.00 N ATOM 1244 CA SER A 80 -7.877 -9.524 -8.615 1.00 0.00 C ATOM 1245 C SER A 80 -7.536 -8.588 -9.770 1.00 0.00 C ATOM 1246 O SER A 80 -7.585 -7.366 -9.630 1.00 0.00 O ATOM 1247 CB SER A 80 -6.593 -9.985 -7.921 1.00 0.00 C ATOM 1248 OG SER A 80 -6.868 -10.498 -6.629 1.00 0.00 O ATOM 0 H SER A 80 -8.135 -11.560 -9.044 1.00 0.00 H new ATOM 0 HA SER A 80 -8.493 -8.980 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.105 -10.751 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.898 -9.149 -7.844 1.00 0.00 H new ATOM 0 HG SER A 80 -6.032 -10.787 -6.207 1.00 0.00 H new ATOM 1254 N PHE A 81 -7.190 -9.171 -10.913 1.00 0.00 N ATOM 1255 CA PHE A 81 -6.840 -8.391 -12.094 1.00 0.00 C ATOM 1256 C PHE A 81 -7.966 -7.431 -12.466 1.00 0.00 C ATOM 1257 O PHE A 81 -7.771 -6.216 -12.517 1.00 0.00 O ATOM 1258 CB PHE A 81 -6.535 -9.318 -13.272 1.00 0.00 C ATOM 1259 CG PHE A 81 -6.674 -8.652 -14.611 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -5.834 -7.612 -14.973 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -7.646 -9.066 -15.508 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -5.959 -6.997 -16.205 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -7.776 -8.455 -16.741 1.00 0.00 C ATOM 1264 CZ PHE A 81 -6.932 -7.418 -17.089 1.00 0.00 C ATOM 0 H PHE A 81 -7.145 -10.181 -11.046 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.950 -7.806 -11.861 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.520 -9.701 -13.169 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.205 -10.177 -13.231 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.072 -7.277 -14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.309 -9.875 -15.241 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.296 -6.188 -16.475 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.537 -8.788 -17.432 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.033 -6.938 -18.051 1.00 0.00 H new ATOM 1274 N HIS A 82 -9.146 -7.985 -12.725 1.00 0.00 N ATOM 1275 CA HIS A 82 -10.305 -7.179 -13.092 1.00 0.00 C ATOM 1276 C HIS A 82 -10.785 -6.346 -11.908 1.00 0.00 C ATOM 1277 O HIS A 82 -11.125 -5.172 -12.059 1.00 0.00 O ATOM 1278 CB HIS A 82 -11.439 -8.076 -13.592 1.00 0.00 C ATOM 1279 CG HIS A 82 -11.159 -8.711 -14.919 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -10.601 -9.966 -15.051 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -11.364 -8.258 -16.178 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -10.475 -10.256 -16.333 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -10.930 -9.237 -17.039 1.00 0.00 N ATOM 0 H HIS A 82 -9.325 -8.988 -12.688 1.00 0.00 H new ATOM 0 HA HIS A 82 -10.007 -6.502 -13.893 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.624 -8.858 -12.856 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.352 -7.486 -13.666 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.789 -7.305 -16.454 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.069 -11.172 -16.736 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.955 -9.185 -18.057 1.00 0.00 H new ATOM 1291 N ARG A 83 -10.810 -6.961 -10.730 1.00 0.00 N ATOM 1292 CA ARG A 83 -11.250 -6.276 -9.520 1.00 0.00 C ATOM 1293 C ARG A 83 -10.486 -4.969 -9.327 1.00 0.00 C ATOM 1294 O ARG A 83 -11.054 -3.963 -8.899 1.00 0.00 O ATOM 1295 CB ARG A 83 -11.057 -7.177 -8.299 1.00 0.00 C ATOM 1296 CG ARG A 83 -11.198 -6.446 -6.974 1.00 0.00 C ATOM 1297 CD ARG A 83 -10.736 -7.309 -5.810 1.00 0.00 C ATOM 1298 NE ARG A 83 -11.775 -8.235 -5.368 1.00 0.00 N ATOM 1299 CZ ARG A 83 -12.774 -7.888 -4.564 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -12.869 -6.644 -4.117 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -13.681 -8.788 -4.206 1.00 0.00 N ATOM 0 H ARG A 83 -10.531 -7.932 -10.588 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.310 -6.045 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.786 -7.987 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.069 -7.635 -8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.614 -5.526 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.239 -6.159 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.851 -7.872 -6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.444 -6.669 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.731 -9.200 -5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.174 -5.949 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.637 -6.381 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.611 -9.746 -4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.448 -8.521 -3.589 1.00 0.00 H new ATOM 1315 N HIS A 84 -9.196 -4.991 -9.645 1.00 0.00 N ATOM 1316 CA HIS A 84 -8.354 -3.808 -9.506 1.00 0.00 C ATOM 1317 C HIS A 84 -8.572 -2.847 -10.670 1.00 0.00 C ATOM 1318 O HIS A 84 -8.948 -1.691 -10.472 1.00 0.00 O ATOM 1319 CB HIS A 84 -6.881 -4.211 -9.431 1.00 0.00 C ATOM 1320 CG HIS A 84 -5.942 -3.135 -9.884 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -5.155 -2.409 -9.016 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -5.666 -2.665 -11.123 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -4.436 -1.537 -9.702 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -4.728 -1.673 -10.983 1.00 0.00 N ATOM 0 H HIS A 84 -8.711 -5.815 -10.001 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.632 -3.301 -8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.639 -4.484 -8.404 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.724 -5.100 -10.042 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -5.131 -2.526 -8.003 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.103 -3.007 -12.050 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.730 -0.833 -9.286 1.00 0.00 H new ATOM 1332 N VAL A 85 -8.333 -3.331 -11.885 1.00 0.00 N ATOM 1333 CA VAL A 85 -8.504 -2.515 -13.081 1.00 0.00 C ATOM 1334 C VAL A 85 -9.834 -1.770 -13.052 1.00 0.00 C ATOM 1335 O VAL A 85 -9.910 -0.598 -13.422 1.00 0.00 O ATOM 1336 CB VAL A 85 -8.435 -3.371 -14.359 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -8.671 -2.511 -15.591 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -7.096 -4.088 -14.448 1.00 0.00 C ATOM 0 H VAL A 85 -8.020 -4.285 -12.067 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.687 -1.794 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.222 -4.124 -14.314 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.618 -3.133 -16.484 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.656 -2.048 -15.528 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.908 -1.734 -15.644 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.064 -4.688 -15.357 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.291 -3.354 -14.470 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.972 -4.736 -13.581 1.00 0.00 H new ATOM 1348 N THR A 86 -10.882 -2.458 -12.610 1.00 0.00 N ATOM 1349 CA THR A 86 -12.210 -1.863 -12.534 1.00 0.00 C ATOM 1350 C THR A 86 -12.165 -0.506 -11.840 1.00 0.00 C ATOM 1351 O THR A 86 -12.744 0.468 -12.322 1.00 0.00 O ATOM 1352 CB THR A 86 -13.194 -2.778 -11.781 1.00 0.00 C ATOM 1353 OG1 THR A 86 -13.407 -3.984 -12.524 1.00 0.00 O ATOM 1354 CG2 THR A 86 -14.523 -2.075 -11.555 1.00 0.00 C ATOM 0 H THR A 86 -10.836 -3.428 -12.299 1.00 0.00 H new ATOM 0 HA THR A 86 -12.557 -1.734 -13.559 1.00 0.00 H new ATOM 0 HB THR A 86 -12.760 -3.020 -10.811 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.674 -4.610 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.201 -2.741 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.362 -1.173 -10.965 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.960 -1.806 -12.516 1.00 0.00 H new ATOM 1362 N SER A 87 -11.473 -0.448 -10.707 1.00 0.00 N ATOM 1363 CA SER A 87 -11.355 0.790 -9.946 1.00 0.00 C ATOM 1364 C SER A 87 -10.266 1.685 -10.530 1.00 0.00 C ATOM 1365 O SER A 87 -10.472 2.883 -10.732 1.00 0.00 O ATOM 1366 CB SER A 87 -11.048 0.484 -8.479 1.00 0.00 C ATOM 1367 OG SER A 87 -9.813 -0.198 -8.348 1.00 0.00 O ATOM 0 H SER A 87 -10.985 -1.244 -10.296 1.00 0.00 H new ATOM 0 HA SER A 87 -12.307 1.318 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.016 1.413 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.849 -0.122 -8.055 1.00 0.00 H new ATOM 0 HG SER A 87 -9.676 -0.779 -9.125 1.00 0.00 H new ATOM 1373 N CYS A 88 -9.106 1.096 -10.799 1.00 0.00 N ATOM 1374 CA CYS A 88 -7.983 1.838 -11.359 1.00 0.00 C ATOM 1375 C CYS A 88 -8.453 2.795 -12.450 1.00 0.00 C ATOM 1376 O CYS A 88 -7.868 3.860 -12.653 1.00 0.00 O ATOM 1377 CB CYS A 88 -6.940 0.873 -11.926 1.00 0.00 C ATOM 1378 SG CYS A 88 -5.277 1.596 -12.102 1.00 0.00 S ATOM 0 H CYS A 88 -8.919 0.106 -10.638 1.00 0.00 H new ATOM 0 HA CYS A 88 -7.530 2.423 -10.558 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.878 -0.001 -11.277 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -7.277 0.522 -12.901 1.00 0.00 H new ATOM 1383 N THR A 89 -9.515 2.409 -13.151 1.00 0.00 N ATOM 1384 CA THR A 89 -10.064 3.231 -14.222 1.00 0.00 C ATOM 1385 C THR A 89 -11.057 4.251 -13.678 1.00 0.00 C ATOM 1386 O THR A 89 -11.029 5.423 -14.055 1.00 0.00 O ATOM 1387 CB THR A 89 -10.763 2.369 -15.290 1.00 0.00 C ATOM 1388 OG1 THR A 89 -9.836 1.429 -15.846 1.00 0.00 O ATOM 1389 CG2 THR A 89 -11.337 3.239 -16.398 1.00 0.00 C ATOM 0 H THR A 89 -10.012 1.532 -12.996 1.00 0.00 H new ATOM 0 HA THR A 89 -9.225 3.754 -14.681 1.00 0.00 H new ATOM 0 HB THR A 89 -11.581 1.831 -14.811 1.00 0.00 H new ATOM 0 HG1 THR A 89 -9.722 0.677 -15.228 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.826 2.608 -17.140 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.064 3.932 -15.976 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.533 3.801 -16.873 1.00 0.00 H new ATOM 1397 N LYS A 90 -11.935 3.799 -12.789 1.00 0.00 N ATOM 1398 CA LYS A 90 -12.937 4.673 -12.191 1.00 0.00 C ATOM 1399 C LYS A 90 -12.385 6.081 -11.996 1.00 0.00 C ATOM 1400 O LYS A 90 -12.998 7.063 -12.416 1.00 0.00 O ATOM 1401 CB LYS A 90 -13.401 4.106 -10.847 1.00 0.00 C ATOM 1402 CG LYS A 90 -14.346 2.924 -10.980 1.00 0.00 C ATOM 1403 CD LYS A 90 -15.750 3.372 -11.352 1.00 0.00 C ATOM 1404 CE LYS A 90 -16.468 3.998 -10.166 1.00 0.00 C ATOM 1405 NZ LYS A 90 -17.218 2.984 -9.374 1.00 0.00 N ATOM 0 H LYS A 90 -11.973 2.832 -12.467 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.788 4.726 -12.870 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.528 3.800 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.896 4.895 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.969 2.239 -11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.376 2.373 -10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.699 4.092 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.321 2.518 -11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.742 4.496 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.157 4.764 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.693 3.450 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.928 2.526 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.557 2.267 -9.013 1.00 0.00 H new ATOM 1419 N SER A 91 -11.222 6.173 -11.359 1.00 0.00 N ATOM 1420 CA SER A 91 -10.588 7.462 -11.108 1.00 0.00 C ATOM 1421 C SER A 91 -10.100 8.091 -12.409 1.00 0.00 C ATOM 1422 O SER A 91 -10.327 9.274 -12.664 1.00 0.00 O ATOM 1423 CB SER A 91 -9.417 7.298 -10.137 1.00 0.00 C ATOM 1424 OG SER A 91 -9.877 7.072 -8.816 1.00 0.00 O ATOM 0 H SER A 91 -10.700 5.370 -11.007 1.00 0.00 H new ATOM 0 HA SER A 91 -11.331 8.123 -10.662 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.791 6.464 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.793 8.192 -10.160 1.00 0.00 H new ATOM 0 HG SER A 91 -9.109 6.969 -8.215 1.00 0.00 H new ATOM 1430 N TYR A 92 -9.429 7.291 -13.230 1.00 0.00 N ATOM 1431 CA TYR A 92 -8.906 7.768 -14.505 1.00 0.00 C ATOM 1432 C TYR A 92 -9.999 8.453 -15.320 1.00 0.00 C ATOM 1433 O TYR A 92 -9.770 9.496 -15.932 1.00 0.00 O ATOM 1434 CB TYR A 92 -8.311 6.607 -15.303 1.00 0.00 C ATOM 1435 CG TYR A 92 -7.858 6.996 -16.692 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -8.781 7.256 -17.698 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -6.507 7.103 -16.999 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -8.371 7.611 -18.968 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -6.089 7.459 -18.266 1.00 0.00 C ATOM 1440 CZ TYR A 92 -7.024 7.712 -19.248 1.00 0.00 C ATOM 1441 OH TYR A 92 -6.612 8.066 -20.512 1.00 0.00 O ATOM 0 H TYR A 92 -9.234 6.309 -13.035 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.122 8.496 -14.297 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.463 6.197 -14.755 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.053 5.813 -15.381 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.837 7.179 -17.483 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.771 6.904 -16.234 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.102 7.809 -19.738 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.035 7.539 -18.487 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.633 8.093 -20.541 1.00 0.00 H new ATOM 1451 N GLU A 93 -11.188 7.858 -15.321 1.00 0.00 N ATOM 1452 CA GLU A 93 -12.317 8.410 -16.061 1.00 0.00 C ATOM 1453 C GLU A 93 -12.624 9.833 -15.603 1.00 0.00 C ATOM 1454 O GLU A 93 -12.821 10.730 -16.422 1.00 0.00 O ATOM 1455 CB GLU A 93 -13.553 7.527 -15.881 1.00 0.00 C ATOM 1456 CG GLU A 93 -13.657 6.409 -16.905 1.00 0.00 C ATOM 1457 CD GLU A 93 -14.884 5.542 -16.700 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -15.879 6.046 -16.138 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -14.850 4.360 -17.102 1.00 0.00 O ATOM 0 H GLU A 93 -11.394 6.995 -14.818 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.049 8.437 -17.117 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.536 7.092 -14.882 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.446 8.149 -15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.684 6.840 -17.906 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.764 5.787 -16.850 1.00 0.00 H new ATOM 1466 N ALA A 94 -12.662 10.030 -14.290 1.00 0.00 N ATOM 1467 CA ALA A 94 -12.943 11.343 -13.722 1.00 0.00 C ATOM 1468 C ALA A 94 -12.046 12.411 -14.338 1.00 0.00 C ATOM 1469 O ALA A 94 -12.488 13.527 -14.608 1.00 0.00 O ATOM 1470 CB ALA A 94 -12.770 11.313 -12.211 1.00 0.00 C ATOM 0 H ALA A 94 -12.502 9.297 -13.599 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.977 11.597 -13.953 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.983 12.300 -11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.458 10.585 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.745 11.032 -11.968 1.00 0.00 H new ATOM 1476 N ALA A 95 -10.782 12.061 -14.557 1.00 0.00 N ATOM 1477 CA ALA A 95 -9.823 12.990 -15.142 1.00 0.00 C ATOM 1478 C ALA A 95 -9.992 13.072 -16.655 1.00 0.00 C ATOM 1479 O ALA A 95 -9.794 14.129 -17.256 1.00 0.00 O ATOM 1480 CB ALA A 95 -8.403 12.573 -14.789 1.00 0.00 C ATOM 0 H ALA A 95 -10.399 11.141 -14.338 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.013 13.980 -14.727 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.697 13.275 -15.232 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.283 12.572 -13.706 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.211 11.572 -15.176 1.00 0.00 H new ATOM 1486 N LYS A 96 -10.358 11.951 -17.267 1.00 0.00 N ATOM 1487 CA LYS A 96 -10.554 11.895 -18.711 1.00 0.00 C ATOM 1488 C LYS A 96 -11.216 13.172 -19.219 1.00 0.00 C ATOM 1489 O LYS A 96 -10.812 13.728 -20.240 1.00 0.00 O ATOM 1490 CB LYS A 96 -11.408 10.682 -19.084 1.00 0.00 C ATOM 1491 CG LYS A 96 -11.662 10.552 -20.576 1.00 0.00 C ATOM 1492 CD LYS A 96 -12.622 9.415 -20.881 1.00 0.00 C ATOM 1493 CE LYS A 96 -11.900 8.077 -20.942 1.00 0.00 C ATOM 1494 NZ LYS A 96 -10.951 8.011 -22.088 1.00 0.00 N ATOM 0 H LYS A 96 -10.525 11.068 -16.785 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.576 11.801 -19.182 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.915 9.778 -18.728 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.365 10.748 -18.566 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.071 11.487 -20.959 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.718 10.381 -21.093 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.397 9.377 -20.116 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.121 9.604 -21.831 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.357 7.914 -20.011 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.631 7.273 -21.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.791 7.017 -22.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.352 8.522 -22.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.047 8.447 -21.816 1.00 0.00 H new ATOM 1508 N ALA A 97 -12.234 13.632 -18.499 1.00 0.00 N ATOM 1509 CA ALA A 97 -12.950 14.845 -18.876 1.00 0.00 C ATOM 1510 C ALA A 97 -13.102 14.944 -20.390 1.00 0.00 C ATOM 1511 O ALA A 97 -12.984 16.026 -20.964 1.00 0.00 O ATOM 1512 CB ALA A 97 -12.231 16.071 -18.334 1.00 0.00 C ATOM 0 H ALA A 97 -12.581 13.183 -17.652 1.00 0.00 H new ATOM 0 HA ALA A 97 -13.948 14.800 -18.439 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -12.776 16.970 -18.623 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.179 16.011 -17.247 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -11.222 16.112 -18.744 1.00 0.00 H new ATOM 1518 N GLU A 98 -13.364 13.809 -21.030 1.00 0.00 N ATOM 1519 CA GLU A 98 -13.531 13.770 -22.478 1.00 0.00 C ATOM 1520 C GLU A 98 -14.325 14.978 -22.967 1.00 0.00 C ATOM 1521 O GLU A 98 -13.941 15.635 -23.935 1.00 0.00 O ATOM 1522 CB GLU A 98 -14.236 12.478 -22.898 1.00 0.00 C ATOM 1523 CG GLU A 98 -14.123 12.179 -24.383 1.00 0.00 C ATOM 1524 CD GLU A 98 -14.782 13.239 -25.244 1.00 0.00 C ATOM 1525 OE1 GLU A 98 -16.027 13.230 -25.346 1.00 0.00 O ATOM 1526 OE2 GLU A 98 -14.054 14.077 -25.816 1.00 0.00 O ATOM 0 H GLU A 98 -13.465 12.905 -20.569 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.541 13.799 -22.933 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.815 11.645 -22.335 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -15.290 12.545 -22.628 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.070 12.099 -24.654 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.580 11.212 -24.591 1.00 0.00 H new ATOM 1533 N GLN A 99 -15.433 15.263 -22.291 1.00 0.00 N ATOM 1534 CA GLN A 99 -16.282 16.391 -22.658 1.00 0.00 C ATOM 1535 C GLN A 99 -16.672 17.201 -21.426 1.00 0.00 C ATOM 1536 O GLN A 99 -17.814 17.639 -21.295 1.00 0.00 O ATOM 1537 CB GLN A 99 -17.538 15.898 -23.377 1.00 0.00 C ATOM 1538 CG GLN A 99 -18.379 14.941 -22.547 1.00 0.00 C ATOM 1539 CD GLN A 99 -19.214 14.007 -23.400 1.00 0.00 C ATOM 1540 OE1 GLN A 99 -18.687 13.108 -24.056 1.00 0.00 O ATOM 1541 NE2 GLN A 99 -20.526 14.216 -23.397 1.00 0.00 N ATOM 0 H GLN A 99 -15.764 14.729 -21.487 1.00 0.00 H new ATOM 0 HA GLN A 99 -15.717 17.036 -23.331 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -18.148 16.757 -23.655 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -17.246 15.402 -24.303 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -17.724 14.352 -21.904 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -19.036 15.514 -21.893 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -20.921 14.973 -22.839 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -21.139 13.620 -23.953 1.00 0.00 H new ATOM 1550 N ASN A 100 -15.714 17.397 -20.525 1.00 0.00 N ATOM 1551 CA ASN A 100 -15.958 18.155 -19.303 1.00 0.00 C ATOM 1552 C ASN A 100 -15.052 19.380 -19.233 1.00 0.00 C ATOM 1553 O ASN A 100 -13.909 19.296 -18.783 1.00 0.00 O ATOM 1554 CB ASN A 100 -15.733 17.269 -18.076 1.00 0.00 C ATOM 1555 CG ASN A 100 -15.797 18.052 -16.779 1.00 0.00 C ATOM 1556 OD1 ASN A 100 -14.818 18.674 -16.368 1.00 0.00 O ATOM 1557 ND2 ASN A 100 -16.953 18.023 -16.127 1.00 0.00 N ATOM 0 H ASN A 100 -14.762 17.042 -20.618 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.994 18.492 -19.314 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -16.484 16.480 -18.058 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -14.761 16.782 -18.156 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.056 18.530 -15.248 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -17.739 17.494 -16.505 1.00 0.00 H new ATOM 1564 N THR A 101 -15.571 20.519 -19.680 1.00 0.00 N ATOM 1565 CA THR A 101 -14.809 21.762 -19.669 1.00 0.00 C ATOM 1566 C THR A 101 -14.686 22.319 -18.255 1.00 0.00 C ATOM 1567 O THR A 101 -15.670 22.395 -17.518 1.00 0.00 O ATOM 1568 CB THR A 101 -15.459 22.827 -20.573 1.00 0.00 C ATOM 1569 OG1 THR A 101 -14.622 23.987 -20.641 1.00 0.00 O ATOM 1570 CG2 THR A 101 -16.833 23.216 -20.049 1.00 0.00 C ATOM 0 H THR A 101 -16.516 20.607 -20.054 1.00 0.00 H new ATOM 0 HA THR A 101 -13.816 21.527 -20.052 1.00 0.00 H new ATOM 0 HB THR A 101 -15.575 22.404 -21.571 1.00 0.00 H new ATOM 0 HG1 THR A 101 -15.041 24.659 -21.219 1.00 0.00 H new ATOM 0 HG21 THR A 101 -17.272 23.969 -20.703 1.00 0.00 H new ATOM 0 HG22 THR A 101 -17.476 22.336 -20.025 1.00 0.00 H new ATOM 0 HG23 THR A 101 -16.737 23.622 -19.042 1.00 0.00 H new ATOM 1578 N THR A 102 -13.472 22.708 -17.880 1.00 0.00 N ATOM 1579 CA THR A 102 -13.220 23.257 -16.554 1.00 0.00 C ATOM 1580 C THR A 102 -13.514 24.752 -16.513 1.00 0.00 C ATOM 1581 O THR A 102 -12.636 25.574 -16.774 1.00 0.00 O ATOM 1582 CB THR A 102 -11.762 23.020 -16.115 1.00 0.00 C ATOM 1583 OG1 THR A 102 -11.485 21.616 -16.073 1.00 0.00 O ATOM 1584 CG2 THR A 102 -11.502 23.635 -14.748 1.00 0.00 C ATOM 0 H THR A 102 -12.647 22.653 -18.477 1.00 0.00 H new ATOM 0 HA THR A 102 -13.888 22.739 -15.866 1.00 0.00 H new ATOM 0 HB THR A 102 -11.105 23.498 -16.842 1.00 0.00 H new ATOM 0 HG1 THR A 102 -10.556 21.474 -15.795 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.467 23.455 -14.459 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.685 24.709 -14.791 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.168 23.183 -14.013 1.00 0.00 H new ATOM 1592 N GLU A 103 -14.755 25.098 -16.184 1.00 0.00 N ATOM 1593 CA GLU A 103 -15.164 26.495 -16.109 1.00 0.00 C ATOM 1594 C GLU A 103 -14.817 27.092 -14.748 1.00 0.00 C ATOM 1595 O GLU A 103 -15.084 26.490 -13.709 1.00 0.00 O ATOM 1596 CB GLU A 103 -16.666 26.625 -16.368 1.00 0.00 C ATOM 1597 CG GLU A 103 -17.082 27.998 -16.867 1.00 0.00 C ATOM 1598 CD GLU A 103 -16.200 28.500 -17.994 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -16.367 28.022 -19.136 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -15.343 29.371 -17.734 1.00 0.00 O ATOM 0 H GLU A 103 -15.494 24.430 -15.965 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.622 27.047 -16.877 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.966 25.876 -17.101 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.205 26.404 -15.447 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.116 27.958 -17.210 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.047 28.707 -16.040 1.00 0.00 H new ATOM 1607 N ALA A 104 -14.220 28.279 -14.764 1.00 0.00 N ATOM 1608 CA ALA A 104 -13.838 28.958 -13.532 1.00 0.00 C ATOM 1609 C ALA A 104 -14.921 28.816 -12.468 1.00 0.00 C ATOM 1610 O ALA A 104 -16.072 28.508 -12.778 1.00 0.00 O ATOM 1611 CB ALA A 104 -13.553 30.427 -13.806 1.00 0.00 C ATOM 0 H ALA A 104 -13.990 28.790 -15.616 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.930 28.488 -13.153 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.269 30.922 -12.877 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -12.739 30.512 -14.526 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.447 30.902 -14.211 1.00 0.00 H new ATOM 1617 N SER A 105 -14.546 29.043 -11.214 1.00 0.00 N ATOM 1618 CA SER A 105 -15.485 28.936 -10.103 1.00 0.00 C ATOM 1619 C SER A 105 -16.033 30.307 -9.722 1.00 0.00 C ATOM 1620 O SER A 105 -15.454 31.337 -10.064 1.00 0.00 O ATOM 1621 CB SER A 105 -14.805 28.291 -8.893 1.00 0.00 C ATOM 1622 OG SER A 105 -15.758 27.916 -7.914 1.00 0.00 O ATOM 0 H SER A 105 -13.598 29.302 -10.941 1.00 0.00 H new ATOM 0 HA SER A 105 -16.317 28.307 -10.421 1.00 0.00 H new ATOM 0 HB2 SER A 105 -14.242 27.414 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.088 28.989 -8.459 1.00 0.00 H new ATOM 0 HG SER A 105 -15.299 27.505 -7.152 1.00 0.00 H new ATOM 1628 N GLY A 106 -17.156 30.312 -9.009 1.00 0.00 N ATOM 1629 CA GLY A 106 -17.766 31.561 -8.593 1.00 0.00 C ATOM 1630 C GLY A 106 -17.106 32.145 -7.359 1.00 0.00 C ATOM 1631 O GLY A 106 -16.937 31.472 -6.342 1.00 0.00 O ATOM 0 H GLY A 106 -17.654 29.473 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -17.705 32.281 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.824 31.396 -8.392 1.00 0.00 H new ATOM 1635 N PRO A 107 -16.719 33.427 -7.441 1.00 0.00 N ATOM 1636 CA PRO A 107 -16.067 34.129 -6.332 1.00 0.00 C ATOM 1637 C PRO A 107 -17.019 34.388 -5.170 1.00 0.00 C ATOM 1638 O PRO A 107 -18.198 34.038 -5.231 1.00 0.00 O ATOM 1639 CB PRO A 107 -15.620 35.450 -6.962 1.00 0.00 C ATOM 1640 CG PRO A 107 -16.555 35.660 -8.103 1.00 0.00 C ATOM 1641 CD PRO A 107 -16.890 34.289 -8.622 1.00 0.00 C ATOM 0 HA PRO A 107 -15.250 33.547 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -15.678 36.270 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -14.586 35.397 -7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -17.454 36.185 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.092 36.269 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -17.908 34.243 -9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.226 33.994 -9.435 1.00 0.00 H new ATOM 1649 N SER A 108 -16.501 35.004 -4.112 1.00 0.00 N ATOM 1650 CA SER A 108 -17.305 35.307 -2.934 1.00 0.00 C ATOM 1651 C SER A 108 -17.114 36.759 -2.504 1.00 0.00 C ATOM 1652 O SER A 108 -15.999 37.190 -2.213 1.00 0.00 O ATOM 1653 CB SER A 108 -16.935 34.370 -1.782 1.00 0.00 C ATOM 1654 OG SER A 108 -17.139 33.015 -2.143 1.00 0.00 O ATOM 0 H SER A 108 -15.528 35.303 -4.047 1.00 0.00 H new ATOM 0 HA SER A 108 -18.353 35.157 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.892 34.523 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 108 -17.536 34.611 -0.905 1.00 0.00 H new ATOM 0 HG SER A 108 -16.894 32.436 -1.391 1.00 0.00 H new ATOM 1660 N SER A 109 -18.212 37.508 -2.468 1.00 0.00 N ATOM 1661 CA SER A 109 -18.166 38.912 -2.078 1.00 0.00 C ATOM 1662 C SER A 109 -18.184 39.055 -0.559 1.00 0.00 C ATOM 1663 O SER A 109 -18.170 40.165 -0.029 1.00 0.00 O ATOM 1664 CB SER A 109 -19.346 39.671 -2.688 1.00 0.00 C ATOM 1665 OG SER A 109 -20.549 38.935 -2.555 1.00 0.00 O ATOM 0 H SER A 109 -19.143 37.166 -2.704 1.00 0.00 H new ATOM 0 HA SER A 109 -17.236 39.338 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.452 40.639 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.151 39.867 -3.742 1.00 0.00 H new ATOM 0 HG SER A 109 -21.288 39.442 -2.951 1.00 0.00 H new ATOM 1671 N GLY A 110 -18.217 37.922 0.135 1.00 0.00 N ATOM 1672 CA GLY A 110 -18.237 37.942 1.586 1.00 0.00 C ATOM 1673 C GLY A 110 -19.604 37.611 2.152 1.00 0.00 C ATOM 1674 O GLY A 110 -20.168 36.579 1.790 1.00 0.00 O ATOM 0 H GLY A 110 -18.230 36.991 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -17.507 37.227 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -17.931 38.928 1.937 1.00 0.00 H new TER 1678 GLY A 110 HETATM 1679 ZN ZN A 200 8.175 2.723 8.931 1.00 0.00 ZN HETATM 1680 ZN ZN A 300 8.176 -14.107 -1.248 1.00 0.00 ZN HETATM 1681 ZN ZN A 400 -4.399 -0.235 -12.408 1.00 0.00 ZN