USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot -48:sc= 0.425 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -6.2! C(o=-8.3!,f=-3.4!) USER MOD Set 1.3: A 89 ASN : amide:sc= -2.53 K(o=-8.3,f=-3.4) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.295 K(o=0.081,f=-11!) USER MOD Set 2.2: A 82 GLN : amide:sc= 0.376 K(o=0.081,f=-2.4) USER MOD Set 3.1: A 23 HIS : no HD1:sc= -2.68! C(o=-3!,f=-3!) USER MOD Set 3.2: A 54 GLN : amide:sc= -0.316 K(o=-3,f=-1.8) USER MOD Set 4.1: A 7 THR OG1 : rot 30:sc= 0.377 USER MOD Set 4.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.45) USER MOD Single : A 14 GLN : amide:sc= -6.65! C(o=-6.6!,f=-4.1!) USER MOD Single : A 15 MET CE :methyl 153:sc= -7.56! (180deg=-9.98!) USER MOD Single : A 20 MET CE :methyl 161:sc= -1.64 (180deg=-3.53!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -147:sc= -0.868 (180deg=-3.64!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 158:sc= -5.2! (180deg=-6.88!) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= -0.0135 (180deg=-0.154) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 39 SER OG : rot 180:sc= -0.614 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.3!) USER MOD Single : A 53 MET CE :methyl -177:sc= 0 (180deg=-0.0216) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= -3.72! (180deg=-3.72!) USER MOD Single : A 68 MET CE :methyl 169:sc= -0.565 (180deg=-0.617) USER MOD Single : A 70 MET CE :methyl -105:sc= -7.68! (180deg=-10.1!) USER MOD Single : A 72 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.5!) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.0325 (180deg=-0.387) USER MOD Single : A 79 MET CE :methyl 165:sc= -7.53! (180deg=-8.24!) USER MOD Single : A 84 MET CE :methyl -178:sc= -2.47! (180deg=-2.75!) USER MOD Single : A 86 MET CE :methyl 148:sc= -0.178 (180deg=-0.32) USER MOD Single : A 95 ASN : amide:sc= 0.957 K(o=0.96,f=-0.25) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.201 USER MOD Single : A 99 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.008) USER MOD Single : A 102 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.31) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 6.184 -3.087 7.917 1.00 0.00 N ATOM 2 CA PRO A 1 5.298 -3.066 9.115 1.00 0.00 C ATOM 3 C PRO A 1 5.244 -4.423 9.849 1.00 0.00 C ATOM 4 O PRO A 1 4.172 -4.914 10.239 1.00 0.00 O ATOM 5 CB PRO A 1 3.897 -2.595 8.685 1.00 0.00 C ATOM 6 CG PRO A 1 3.825 -2.876 7.182 1.00 0.00 C ATOM 7 CD PRO A 1 5.260 -3.161 6.744 1.00 0.00 C ATOM 0 H2 PRO A 1 6.815 -3.888 7.940 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.766 -2.250 7.875 1.00 0.00 H new ATOM 0 HA PRO A 1 5.716 -2.366 9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.118 -3.133 9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.756 -1.535 8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.176 -3.727 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.414 -2.022 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 1 5.319 -4.149 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 1 5.566 -2.441 5.985 1.00 0.00 H new ATOM 15 N TYR A 2 6.429 -5.009 10.069 1.00 0.00 N ATOM 16 CA TYR A 2 6.543 -6.304 10.712 1.00 0.00 C ATOM 17 C TYR A 2 8.001 -6.681 10.917 1.00 0.00 C ATOM 18 O TYR A 2 8.441 -6.910 12.035 1.00 0.00 O ATOM 19 CB TYR A 2 5.873 -7.334 9.794 1.00 0.00 C ATOM 20 CG TYR A 2 6.242 -8.760 10.075 1.00 0.00 C ATOM 21 CD1 TYR A 2 5.811 -9.379 11.253 1.00 0.00 C ATOM 22 CD2 TYR A 2 7.053 -9.474 9.178 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.169 -10.715 11.522 1.00 0.00 C ATOM 24 CE2 TYR A 2 7.406 -10.812 9.446 1.00 0.00 C ATOM 25 CZ TYR A 2 6.953 -11.423 10.618 1.00 0.00 C ATOM 26 OH TYR A 2 7.291 -12.704 10.863 1.00 0.00 O ATOM 0 H TYR A 2 7.323 -4.594 9.805 1.00 0.00 H new ATOM 0 HA TYR A 2 6.064 -6.275 11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 2 4.792 -7.229 9.882 1.00 0.00 H new ATOM 0 HB3 TYR A 2 6.133 -7.103 8.761 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.203 -8.832 11.958 1.00 0.00 H new ATOM 0 HD2 TYR A 2 7.408 -8.995 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.834 -11.190 12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 2 8.023 -11.361 8.750 1.00 0.00 H new ATOM 0 HH TYR A 2 7.840 -13.044 10.126 1.00 0.00 H new ATOM 36 N GLY A 3 8.762 -6.688 9.826 1.00 0.00 N ATOM 37 CA GLY A 3 10.157 -7.065 9.852 1.00 0.00 C ATOM 38 C GLY A 3 10.857 -6.619 8.591 1.00 0.00 C ATOM 39 O GLY A 3 10.368 -5.713 7.903 1.00 0.00 O ATOM 0 H GLY A 3 8.420 -6.430 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.643 -6.619 10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.244 -8.146 9.959 1.00 0.00 H new ATOM 43 N ARG A 4 12.006 -7.231 8.305 1.00 0.00 N ATOM 44 CA ARG A 4 12.765 -6.940 7.101 1.00 0.00 C ATOM 45 C ARG A 4 12.957 -8.187 6.255 1.00 0.00 C ATOM 46 O ARG A 4 13.001 -9.284 6.792 1.00 0.00 O ATOM 47 CB ARG A 4 14.127 -6.343 7.490 1.00 0.00 C ATOM 48 CG ARG A 4 14.412 -5.066 6.687 1.00 0.00 C ATOM 49 CD ARG A 4 14.485 -3.843 7.600 1.00 0.00 C ATOM 50 NE ARG A 4 15.858 -3.328 7.683 1.00 0.00 N ATOM 51 CZ ARG A 4 16.274 -2.352 8.481 1.00 0.00 C ATOM 52 NH1 ARG A 4 15.434 -1.758 9.297 1.00 0.00 N ATOM 53 NH2 ARG A 4 17.527 -1.970 8.460 1.00 0.00 N ATOM 0 H ARG A 4 12.431 -7.940 8.903 1.00 0.00 H new ATOM 0 HA ARG A 4 12.207 -6.219 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 4 14.139 -6.118 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.915 -7.075 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 4 15.352 -5.176 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.630 -4.920 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.823 -3.064 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.131 -4.107 8.597 1.00 0.00 H new ATOM 0 HE ARG A 4 16.554 -3.758 7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.456 -2.046 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.760 -1.009 9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 4 18.188 -2.423 7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 4 17.842 -1.220 9.075 1.00 0.00 H new ATOM 67 N GLY A 5 13.165 -7.987 4.960 1.00 0.00 N ATOM 68 CA GLY A 5 13.371 -9.095 4.044 1.00 0.00 C ATOM 69 C GLY A 5 13.054 -8.671 2.633 1.00 0.00 C ATOM 70 O GLY A 5 11.977 -8.985 2.135 1.00 0.00 O ATOM 0 H GLY A 5 13.195 -7.066 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 5 14.404 -9.439 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.738 -9.935 4.330 1.00 0.00 H new ATOM 74 N ARG A 6 13.952 -7.870 2.038 1.00 0.00 N ATOM 75 CA ARG A 6 13.777 -7.401 0.671 1.00 0.00 C ATOM 76 C ARG A 6 13.480 -8.565 -0.264 1.00 0.00 C ATOM 77 O ARG A 6 13.885 -9.692 0.002 1.00 0.00 O ATOM 78 CB ARG A 6 15.040 -6.672 0.181 1.00 0.00 C ATOM 79 CG ARG A 6 16.166 -7.671 -0.145 1.00 0.00 C ATOM 80 CD ARG A 6 17.542 -7.054 0.094 1.00 0.00 C ATOM 81 NE ARG A 6 18.571 -8.106 0.170 1.00 0.00 N ATOM 82 CZ ARG A 6 19.065 -8.774 -0.870 1.00 0.00 C ATOM 83 NH1 ARG A 6 18.663 -8.502 -2.090 1.00 0.00 N ATOM 84 NH2 ARG A 6 19.975 -9.701 -0.690 1.00 0.00 N ATOM 0 H ARG A 6 14.804 -7.538 2.490 1.00 0.00 H new ATOM 0 HA ARG A 6 12.935 -6.709 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.803 -6.084 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 6 15.380 -5.973 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.053 -8.563 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.083 -7.989 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.781 -6.360 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.533 -6.478 1.019 1.00 0.00 H new ATOM 0 HE ARG A 6 18.934 -8.341 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.967 -7.774 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.047 -9.019 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.308 -9.913 0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.350 -10.210 -1.491 1.00 0.00 H new ATOM 98 N THR A 7 12.904 -8.253 -1.408 1.00 0.00 N ATOM 99 CA THR A 7 12.508 -9.283 -2.357 1.00 0.00 C ATOM 100 C THR A 7 12.731 -8.742 -3.739 1.00 0.00 C ATOM 101 O THR A 7 12.254 -7.640 -4.029 1.00 0.00 O ATOM 102 CB THR A 7 11.044 -9.679 -2.106 1.00 0.00 C ATOM 103 OG1 THR A 7 10.222 -8.533 -2.303 1.00 0.00 O ATOM 104 CG2 THR A 7 10.812 -10.116 -0.665 1.00 0.00 C ATOM 0 H THR A 7 12.699 -7.299 -1.705 1.00 0.00 H new ATOM 0 HA THR A 7 13.102 -10.189 -2.239 1.00 0.00 H new ATOM 0 HB THR A 7 10.809 -10.498 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.632 -7.948 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.765 -10.387 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.441 -10.977 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.064 -9.297 0.009 1.00 0.00 H new ATOM 112 N GLU A 8 13.520 -9.461 -4.530 1.00 0.00 N ATOM 113 CA GLU A 8 13.802 -9.095 -5.908 1.00 0.00 C ATOM 114 C GLU A 8 12.528 -8.725 -6.677 1.00 0.00 C ATOM 115 O GLU A 8 11.393 -8.979 -6.254 1.00 0.00 O ATOM 116 CB GLU A 8 14.556 -10.219 -6.646 1.00 0.00 C ATOM 117 CG GLU A 8 15.674 -10.817 -5.784 1.00 0.00 C ATOM 118 CD GLU A 8 15.268 -12.198 -5.260 1.00 0.00 C ATOM 119 OE1 GLU A 8 14.209 -12.255 -4.595 1.00 0.00 O ATOM 120 OE2 GLU A 8 16.064 -13.140 -5.470 1.00 0.00 O ATOM 0 H GLU A 8 13.983 -10.318 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 8 14.441 -8.213 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.854 -11.004 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.980 -9.826 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.589 -10.899 -6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.890 -10.153 -4.947 1.00 0.00 H new ATOM 127 N SER A 9 12.712 -8.085 -7.823 1.00 0.00 N ATOM 128 CA SER A 9 11.588 -7.691 -8.647 1.00 0.00 C ATOM 129 C SER A 9 10.676 -8.880 -8.950 1.00 0.00 C ATOM 130 O SER A 9 11.132 -9.925 -9.406 1.00 0.00 O ATOM 131 CB SER A 9 12.057 -7.041 -9.952 1.00 0.00 C ATOM 132 OG SER A 9 13.467 -7.176 -10.163 1.00 0.00 O ATOM 0 H SER A 9 13.626 -7.830 -8.198 1.00 0.00 H new ATOM 0 HA SER A 9 11.017 -6.955 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.524 -7.492 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.796 -5.983 -9.940 1.00 0.00 H new ATOM 0 HG SER A 9 13.714 -6.747 -11.009 1.00 0.00 H new ATOM 138 N GLY A 10 9.380 -8.722 -8.688 1.00 0.00 N ATOM 139 CA GLY A 10 8.415 -9.782 -8.922 1.00 0.00 C ATOM 140 C GLY A 10 6.999 -9.285 -8.754 1.00 0.00 C ATOM 141 O GLY A 10 6.479 -8.582 -9.614 1.00 0.00 O ATOM 0 H GLY A 10 8.977 -7.864 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.546 -10.179 -9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.599 -10.603 -8.229 1.00 0.00 H new ATOM 145 N CYS A 11 6.408 -9.561 -7.591 1.00 0.00 N ATOM 146 CA CYS A 11 5.077 -9.126 -7.303 1.00 0.00 C ATOM 147 C CYS A 11 5.012 -7.611 -7.286 1.00 0.00 C ATOM 148 O CYS A 11 4.192 -7.054 -7.981 1.00 0.00 O ATOM 149 CB CYS A 11 4.569 -9.655 -5.972 1.00 0.00 C ATOM 150 SG CYS A 11 4.498 -11.457 -5.797 1.00 0.00 S ATOM 0 H CYS A 11 6.850 -10.090 -6.839 1.00 0.00 H new ATOM 0 HA CYS A 11 4.440 -9.525 -8.092 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.207 -9.260 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.569 -9.256 -5.805 1.00 0.00 H new ATOM 155 N TYR A 12 5.877 -6.956 -6.524 1.00 0.00 N ATOM 156 CA TYR A 12 6.001 -5.512 -6.498 1.00 0.00 C ATOM 157 C TYR A 12 5.846 -4.879 -7.874 1.00 0.00 C ATOM 158 O TYR A 12 5.004 -4.020 -8.044 1.00 0.00 O ATOM 159 CB TYR A 12 7.387 -5.176 -5.974 1.00 0.00 C ATOM 160 CG TYR A 12 7.892 -3.821 -6.371 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.189 -2.672 -5.998 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.042 -3.690 -7.164 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.661 -1.409 -6.405 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.504 -2.418 -7.561 1.00 0.00 C ATOM 165 CZ TYR A 12 8.801 -1.279 -7.194 1.00 0.00 C ATOM 166 OH TYR A 12 9.295 -0.065 -7.527 1.00 0.00 O ATOM 0 H TYR A 12 6.525 -7.428 -5.894 1.00 0.00 H new ATOM 0 HA TYR A 12 5.206 -5.118 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.375 -5.241 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.089 -5.930 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.291 -2.752 -5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.580 -4.574 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.127 -0.522 -6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.405 -2.330 -8.150 1.00 0.00 H new ATOM 0 HH TYR A 12 10.095 -0.178 -8.081 1.00 0.00 H new ATOM 176 N GLN A 13 6.613 -5.356 -8.843 1.00 0.00 N ATOM 177 CA GLN A 13 6.512 -4.849 -10.200 1.00 0.00 C ATOM 178 C GLN A 13 5.075 -4.962 -10.737 1.00 0.00 C ATOM 179 O GLN A 13 4.541 -4.048 -11.349 1.00 0.00 O ATOM 180 CB GLN A 13 7.459 -5.645 -11.097 1.00 0.00 C ATOM 181 CG GLN A 13 7.372 -5.149 -12.546 1.00 0.00 C ATOM 182 CD GLN A 13 7.631 -6.247 -13.559 1.00 0.00 C ATOM 183 OE1 GLN A 13 7.238 -7.398 -13.421 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.366 -5.923 -14.599 1.00 0.00 N ATOM 0 H GLN A 13 7.309 -6.090 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 13 6.786 -3.794 -10.198 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.482 -5.546 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.206 -6.704 -11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.383 -4.725 -12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.094 -4.346 -12.694 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.693 -4.964 -14.713 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.609 -6.631 -15.292 1.00 0.00 H new ATOM 193 N GLN A 14 4.429 -6.093 -10.503 1.00 0.00 N ATOM 194 CA GLN A 14 3.039 -6.240 -10.867 1.00 0.00 C ATOM 195 C GLN A 14 2.094 -5.384 -10.010 1.00 0.00 C ATOM 196 O GLN A 14 0.926 -5.189 -10.333 1.00 0.00 O ATOM 197 CB GLN A 14 2.669 -7.732 -10.822 1.00 0.00 C ATOM 198 CG GLN A 14 1.804 -8.083 -9.616 1.00 0.00 C ATOM 199 CD GLN A 14 1.803 -9.576 -9.355 1.00 0.00 C ATOM 200 OE1 GLN A 14 1.324 -10.365 -10.142 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.245 -9.988 -8.180 1.00 0.00 N ATOM 0 H GLN A 14 4.846 -6.915 -10.065 1.00 0.00 H new ATOM 0 HA GLN A 14 2.910 -5.864 -11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.138 -7.999 -11.736 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.581 -8.329 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.174 -7.558 -8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.783 -7.741 -9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.647 -9.319 -7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.185 -10.975 -7.930 1.00 0.00 H new ATOM 210 N MET A 15 2.559 -4.990 -8.836 1.00 0.00 N ATOM 211 CA MET A 15 1.831 -4.228 -7.883 1.00 0.00 C ATOM 212 C MET A 15 1.679 -2.801 -8.364 1.00 0.00 C ATOM 213 O MET A 15 0.540 -2.405 -8.507 1.00 0.00 O ATOM 214 CB MET A 15 2.507 -4.169 -6.526 1.00 0.00 C ATOM 215 CG MET A 15 1.549 -3.686 -5.455 1.00 0.00 C ATOM 216 SD MET A 15 2.414 -2.653 -4.293 1.00 0.00 S ATOM 217 CE MET A 15 3.484 -3.877 -3.565 1.00 0.00 C ATOM 0 H MET A 15 3.504 -5.214 -8.524 1.00 0.00 H new ATOM 0 HA MET A 15 0.868 -4.728 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.884 -5.157 -6.262 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.368 -3.502 -6.575 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.730 -3.129 -5.911 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.107 -4.538 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.389 -3.395 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.968 -4.366 -2.739 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.751 -4.620 -4.316 1.00 0.00 H new ATOM 227 N GLU A 16 2.763 -2.069 -8.551 1.00 0.00 N ATOM 228 CA GLU A 16 2.726 -0.707 -9.069 1.00 0.00 C ATOM 229 C GLU A 16 1.904 -0.611 -10.342 1.00 0.00 C ATOM 230 O GLU A 16 1.169 0.349 -10.528 1.00 0.00 O ATOM 231 CB GLU A 16 4.130 -0.193 -9.353 1.00 0.00 C ATOM 232 CG GLU A 16 5.049 -1.274 -9.907 1.00 0.00 C ATOM 233 CD GLU A 16 6.229 -0.706 -10.685 1.00 0.00 C ATOM 234 OE1 GLU A 16 5.985 -0.089 -11.752 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.382 -0.966 -10.261 1.00 0.00 O ATOM 0 H GLU A 16 3.704 -2.404 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 16 2.258 -0.094 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.074 0.631 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.559 0.208 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.422 -1.884 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.475 -1.934 -10.558 1.00 0.00 H new ATOM 242 N GLU A 17 1.941 -1.654 -11.171 1.00 0.00 N ATOM 243 CA GLU A 17 1.153 -1.700 -12.390 1.00 0.00 C ATOM 244 C GLU A 17 -0.335 -1.882 -12.107 1.00 0.00 C ATOM 245 O GLU A 17 -1.202 -1.446 -12.869 1.00 0.00 O ATOM 246 CB GLU A 17 1.651 -2.843 -13.285 1.00 0.00 C ATOM 247 CG GLU A 17 1.154 -2.646 -14.719 1.00 0.00 C ATOM 248 CD GLU A 17 2.124 -3.278 -15.720 1.00 0.00 C ATOM 249 OE1 GLU A 17 3.105 -2.598 -16.106 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.864 -4.428 -16.144 1.00 0.00 O ATOM 0 H GLU A 17 2.515 -2.482 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 17 1.277 -0.743 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.740 -2.877 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.297 -3.799 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.166 -3.092 -14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.049 -1.582 -14.930 1.00 0.00 H new ATOM 257 N ALA A 18 -0.629 -2.511 -10.981 1.00 0.00 N ATOM 258 CA ALA A 18 -1.968 -2.709 -10.525 1.00 0.00 C ATOM 259 C ALA A 18 -2.292 -1.885 -9.295 1.00 0.00 C ATOM 260 O ALA A 18 -3.259 -2.252 -8.628 1.00 0.00 O ATOM 261 CB ALA A 18 -2.215 -4.195 -10.269 1.00 0.00 C ATOM 0 H ALA A 18 0.078 -2.900 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.638 -2.363 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.238 -4.339 -9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.063 -4.753 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.520 -4.554 -9.510 1.00 0.00 H new ATOM 267 N GLU A 19 -1.495 -0.859 -8.991 1.00 0.00 N ATOM 268 CA GLU A 19 -1.582 0.057 -7.864 1.00 0.00 C ATOM 269 C GLU A 19 -2.865 -0.171 -7.080 1.00 0.00 C ATOM 270 O GLU A 19 -3.913 0.466 -7.258 1.00 0.00 O ATOM 271 CB GLU A 19 -1.453 1.517 -8.334 1.00 0.00 C ATOM 272 CG GLU A 19 -1.733 1.712 -9.833 1.00 0.00 C ATOM 273 CD GLU A 19 -2.270 3.093 -10.155 1.00 0.00 C ATOM 274 OE1 GLU A 19 -1.508 4.079 -9.971 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.487 3.179 -10.448 1.00 0.00 O ATOM 0 H GLU A 19 -0.699 -0.632 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.748 -0.144 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.144 2.136 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.447 1.873 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.814 1.544 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.451 0.962 -10.165 1.00 0.00 H new ATOM 282 N MET A 20 -2.830 -1.192 -6.229 1.00 0.00 N ATOM 283 CA MET A 20 -4.020 -1.626 -5.542 1.00 0.00 C ATOM 284 C MET A 20 -4.132 -0.858 -4.249 1.00 0.00 C ATOM 285 O MET A 20 -5.225 -0.502 -3.812 1.00 0.00 O ATOM 286 CB MET A 20 -3.969 -3.118 -5.214 1.00 0.00 C ATOM 287 CG MET A 20 -2.755 -3.436 -4.342 1.00 0.00 C ATOM 288 SD MET A 20 -1.955 -4.952 -4.789 1.00 0.00 S ATOM 289 CE MET A 20 -1.684 -4.640 -6.541 1.00 0.00 C ATOM 0 H MET A 20 -1.990 -1.726 -6.006 1.00 0.00 H new ATOM 0 HA MET A 20 -4.876 -1.445 -6.191 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.882 -3.414 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.923 -3.697 -6.136 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.038 -2.618 -4.416 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.069 -3.491 -3.300 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.912 -5.312 -6.915 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.611 -4.812 -7.089 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.366 -3.607 -6.682 1.00 0.00 H new ATOM 299 N LEU A 21 -2.986 -0.509 -3.676 1.00 0.00 N ATOM 300 CA LEU A 21 -2.929 0.270 -2.483 1.00 0.00 C ATOM 301 C LEU A 21 -2.841 1.751 -2.816 1.00 0.00 C ATOM 302 O LEU A 21 -2.471 2.571 -1.977 1.00 0.00 O ATOM 303 CB LEU A 21 -1.781 -0.214 -1.615 1.00 0.00 C ATOM 304 CG LEU A 21 -1.674 -1.732 -1.432 1.00 0.00 C ATOM 305 CD1 LEU A 21 -0.444 -2.282 -2.156 1.00 0.00 C ATOM 306 CD2 LEU A 21 -1.711 -2.143 0.036 1.00 0.00 C ATOM 0 H LEU A 21 -2.071 -0.770 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.847 0.141 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.847 0.147 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.876 0.245 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.555 -2.180 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.389 -3.361 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.520 -2.062 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.455 -1.816 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.632 -3.227 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.877 -1.680 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.650 -1.815 0.482 1.00 0.00 H new ATOM 318 N ASN A 22 -3.224 2.106 -4.045 1.00 0.00 N ATOM 319 CA ASN A 22 -3.251 3.491 -4.480 1.00 0.00 C ATOM 320 C ASN A 22 -4.596 4.128 -4.160 1.00 0.00 C ATOM 321 O ASN A 22 -4.686 5.301 -3.785 1.00 0.00 O ATOM 322 CB ASN A 22 -3.004 3.564 -5.994 1.00 0.00 C ATOM 323 CG ASN A 22 -3.332 4.928 -6.558 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.315 5.124 -7.251 1.00 0.00 O ATOM 325 ND2 ASN A 22 -2.662 5.930 -6.042 1.00 0.00 N ATOM 0 H ASN A 22 -3.521 1.440 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.468 4.034 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.961 3.327 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.609 2.809 -6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.962 6.889 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.841 5.751 -5.464 1.00 0.00 H new ATOM 332 N HIS A 23 -5.662 3.330 -4.266 1.00 0.00 N ATOM 333 CA HIS A 23 -7.003 3.807 -4.016 1.00 0.00 C ATOM 334 C HIS A 23 -7.254 3.846 -2.521 1.00 0.00 C ATOM 335 O HIS A 23 -7.598 4.900 -1.980 1.00 0.00 O ATOM 336 CB HIS A 23 -8.027 2.920 -4.727 1.00 0.00 C ATOM 337 CG HIS A 23 -7.817 2.842 -6.233 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.708 3.322 -7.149 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.748 2.298 -6.907 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.217 3.051 -8.375 1.00 0.00 C ATOM 341 NE2 HIS A 23 -7.020 2.445 -8.253 1.00 0.00 N ATOM 0 H HIS A 23 -5.609 2.345 -4.526 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.109 4.816 -4.413 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.979 1.915 -4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.028 3.301 -4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.870 1.846 -6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.707 3.283 -9.309 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.419 2.147 -9.021 1.00 0.00 H new ATOM 350 N CYS A 24 -6.967 2.729 -1.849 1.00 0.00 N ATOM 351 CA CYS A 24 -7.077 2.682 -0.410 1.00 0.00 C ATOM 352 C CYS A 24 -6.063 3.609 0.227 1.00 0.00 C ATOM 353 O CYS A 24 -6.212 3.915 1.391 1.00 0.00 O ATOM 354 CB CYS A 24 -6.885 1.258 0.119 1.00 0.00 C ATOM 355 SG CYS A 24 -8.455 0.433 0.439 1.00 0.00 S ATOM 0 H CYS A 24 -6.660 1.858 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.082 3.011 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.312 0.678 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.299 1.289 1.038 1.00 0.00 H new ATOM 360 N GLY A 25 -5.088 4.096 -0.532 1.00 0.00 N ATOM 361 CA GLY A 25 -4.093 5.010 -0.073 1.00 0.00 C ATOM 362 C GLY A 25 -4.637 6.415 -0.022 1.00 0.00 C ATOM 363 O GLY A 25 -4.475 7.053 1.001 1.00 0.00 O ATOM 0 H GLY A 25 -4.980 3.846 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.749 4.712 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.228 4.974 -0.735 1.00 0.00 H new ATOM 367 N MET A 26 -5.332 6.873 -1.062 1.00 0.00 N ATOM 368 CA MET A 26 -5.910 8.203 -1.093 1.00 0.00 C ATOM 369 C MET A 26 -6.817 8.454 0.098 1.00 0.00 C ATOM 370 O MET A 26 -6.805 9.547 0.640 1.00 0.00 O ATOM 371 CB MET A 26 -6.747 8.365 -2.362 1.00 0.00 C ATOM 372 CG MET A 26 -5.909 8.918 -3.506 1.00 0.00 C ATOM 373 SD MET A 26 -6.891 9.057 -5.007 1.00 0.00 S ATOM 374 CE MET A 26 -5.578 9.028 -6.227 1.00 0.00 C ATOM 0 H MET A 26 -5.507 6.326 -1.905 1.00 0.00 H new ATOM 0 HA MET A 26 -5.086 8.916 -1.066 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.168 7.401 -2.649 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.585 9.033 -2.165 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.513 9.896 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.054 8.266 -3.684 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.858 9.650 -7.077 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.660 9.413 -5.783 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.417 8.004 -6.564 1.00 0.00 H new ATOM 384 N TYR A 27 -7.588 7.446 0.497 1.00 0.00 N ATOM 385 CA TYR A 27 -8.442 7.534 1.663 1.00 0.00 C ATOM 386 C TYR A 27 -7.654 7.886 2.921 1.00 0.00 C ATOM 387 O TYR A 27 -8.143 8.601 3.795 1.00 0.00 O ATOM 388 CB TYR A 27 -9.114 6.166 1.821 1.00 0.00 C ATOM 389 CG TYR A 27 -10.090 6.070 2.964 1.00 0.00 C ATOM 390 CD1 TYR A 27 -9.652 6.119 4.295 1.00 0.00 C ATOM 391 CD2 TYR A 27 -11.458 5.928 2.714 1.00 0.00 C ATOM 392 CE1 TYR A 27 -10.558 6.057 5.369 1.00 0.00 C ATOM 393 CE2 TYR A 27 -12.369 5.843 3.789 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.914 5.907 5.102 1.00 0.00 C ATOM 395 OH TYR A 27 -12.798 5.841 6.118 1.00 0.00 O ATOM 0 H TYR A 27 -7.634 6.548 0.016 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.176 8.329 1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.636 5.924 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.340 5.410 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.595 6.206 4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.818 5.883 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.205 6.125 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.424 5.728 3.591 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.703 5.737 5.758 1.00 0.00 H new ATOM 405 N LEU A 28 -6.431 7.383 3.009 1.00 0.00 N ATOM 406 CA LEU A 28 -5.585 7.574 4.156 1.00 0.00 C ATOM 407 C LEU A 28 -4.717 8.794 3.914 1.00 0.00 C ATOM 408 O LEU A 28 -4.407 9.510 4.848 1.00 0.00 O ATOM 409 CB LEU A 28 -4.750 6.327 4.458 1.00 0.00 C ATOM 410 CG LEU A 28 -5.405 4.991 4.123 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.379 3.942 3.705 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.287 4.529 5.256 1.00 0.00 C ATOM 0 H LEU A 28 -6.002 6.825 2.271 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.201 7.740 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.812 6.399 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.497 6.330 5.518 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.049 5.138 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.888 3.006 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.843 4.289 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.672 3.780 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.744 3.574 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.688 4.410 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.068 5.268 5.434 1.00 0.00 H new ATOM 424 N MET A 29 -4.422 9.112 2.659 1.00 0.00 N ATOM 425 CA MET A 29 -3.669 10.255 2.231 1.00 0.00 C ATOM 426 C MET A 29 -4.529 11.484 2.056 1.00 0.00 C ATOM 427 O MET A 29 -4.060 12.505 1.564 1.00 0.00 O ATOM 428 CB MET A 29 -2.901 9.945 0.936 1.00 0.00 C ATOM 429 CG MET A 29 -1.429 10.327 1.042 1.00 0.00 C ATOM 430 SD MET A 29 -1.077 11.913 0.294 1.00 0.00 S ATOM 431 CE MET A 29 -0.530 12.802 1.747 1.00 0.00 C ATOM 0 H MET A 29 -4.727 8.535 1.875 1.00 0.00 H new ATOM 0 HA MET A 29 -2.954 10.477 3.024 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.985 8.882 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.357 10.484 0.106 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.138 10.352 2.092 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.822 9.560 0.561 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.086 13.649 1.445 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.397 13.162 2.301 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.055 12.137 2.382 1.00 0.00 H new ATOM 441 N LYS A 30 -5.792 11.381 2.437 1.00 0.00 N ATOM 442 CA LYS A 30 -6.723 12.471 2.333 1.00 0.00 C ATOM 443 C LYS A 30 -6.567 13.408 3.518 1.00 0.00 C ATOM 444 O LYS A 30 -7.000 14.548 3.448 1.00 0.00 O ATOM 445 CB LYS A 30 -8.160 11.934 2.209 1.00 0.00 C ATOM 446 CG LYS A 30 -8.673 12.122 0.778 1.00 0.00 C ATOM 447 CD LYS A 30 -10.187 12.298 0.767 1.00 0.00 C ATOM 448 CE LYS A 30 -10.763 12.043 -0.633 1.00 0.00 C ATOM 449 NZ LYS A 30 -10.227 13.016 -1.614 1.00 0.00 N ATOM 0 H LYS A 30 -6.194 10.529 2.829 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.509 13.044 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.186 10.878 2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.813 12.456 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.197 12.993 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.398 11.259 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.641 11.611 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.441 13.308 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.520 11.029 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.850 12.115 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.742 12.922 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.346 13.981 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.216 12.828 -1.773 1.00 0.00 H new ATOM 463 N ASN A 31 -5.955 12.911 4.593 1.00 0.00 N ATOM 464 CA ASN A 31 -5.645 13.709 5.761 1.00 0.00 C ATOM 465 C ASN A 31 -4.144 13.913 5.920 1.00 0.00 C ATOM 466 O ASN A 31 -3.708 14.700 6.757 1.00 0.00 O ATOM 467 CB ASN A 31 -6.208 13.013 7.004 1.00 0.00 C ATOM 468 CG ASN A 31 -5.449 11.733 7.284 1.00 0.00 C ATOM 469 OD1 ASN A 31 -4.351 11.773 7.798 1.00 0.00 O ATOM 470 ND2 ASN A 31 -6.011 10.619 6.884 1.00 0.00 N ATOM 0 H ASN A 31 -5.662 11.937 4.670 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.100 14.692 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.139 13.679 7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.265 12.791 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.522 9.731 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.937 10.640 6.457 1.00 0.00 H new ATOM 477 N LEU A 32 -3.361 13.172 5.130 1.00 0.00 N ATOM 478 CA LEU A 32 -1.924 13.300 5.167 1.00 0.00 C ATOM 479 C LEU A 32 -1.473 14.526 4.374 1.00 0.00 C ATOM 480 O LEU A 32 -0.319 14.936 4.468 1.00 0.00 O ATOM 481 CB LEU A 32 -1.287 12.002 4.673 1.00 0.00 C ATOM 482 CG LEU A 32 -1.573 10.803 5.548 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.280 9.526 4.788 1.00 0.00 C ATOM 484 CD2 LEU A 32 -0.731 10.892 6.803 1.00 0.00 C ATOM 0 H LEU A 32 -3.709 12.483 4.463 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.589 13.461 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.644 11.796 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.208 12.141 4.607 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.626 10.793 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.489 8.667 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.909 9.479 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.231 9.511 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.933 10.030 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.325 10.904 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.978 11.806 7.343 1.00 0.00 H new ATOM 496 N GLY A 33 -2.369 15.085 3.564 1.00 0.00 N ATOM 497 CA GLY A 33 -2.092 16.238 2.743 1.00 0.00 C ATOM 498 C GLY A 33 -3.130 16.417 1.652 1.00 0.00 C ATOM 499 O GLY A 33 -3.669 15.443 1.120 1.00 0.00 O ATOM 0 H GLY A 33 -3.322 14.735 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.064 17.131 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.105 16.134 2.292 1.00 0.00 H new ATOM 503 N GLU A 34 -3.397 17.664 1.290 1.00 0.00 N ATOM 504 CA GLU A 34 -4.370 17.973 0.257 1.00 0.00 C ATOM 505 C GLU A 34 -3.742 17.820 -1.122 1.00 0.00 C ATOM 506 O GLU A 34 -3.476 18.791 -1.830 1.00 0.00 O ATOM 507 CB GLU A 34 -4.955 19.380 0.482 1.00 0.00 C ATOM 508 CG GLU A 34 -6.432 19.408 0.073 1.00 0.00 C ATOM 509 CD GLU A 34 -7.337 19.342 1.305 1.00 0.00 C ATOM 510 OE1 GLU A 34 -7.429 20.374 2.014 1.00 0.00 O ATOM 511 OE2 GLU A 34 -7.953 18.272 1.516 1.00 0.00 O ATOM 0 H GLU A 34 -2.948 18.482 1.701 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.198 17.266 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.855 19.661 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.395 20.112 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.641 20.318 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.647 18.568 -0.588 1.00 0.00 H new ATOM 518 N ARG A 35 -3.430 16.581 -1.502 1.00 0.00 N ATOM 519 CA ARG A 35 -2.811 16.336 -2.786 1.00 0.00 C ATOM 520 C ARG A 35 -3.753 16.765 -3.901 1.00 0.00 C ATOM 521 O ARG A 35 -3.375 17.488 -4.818 1.00 0.00 O ATOM 522 CB ARG A 35 -2.458 14.846 -2.924 1.00 0.00 C ATOM 523 CG ARG A 35 -1.719 14.579 -4.247 1.00 0.00 C ATOM 524 CD ARG A 35 -2.269 13.343 -4.954 1.00 0.00 C ATOM 525 NE ARG A 35 -2.825 13.686 -6.272 1.00 0.00 N ATOM 526 CZ ARG A 35 -3.701 12.962 -6.959 1.00 0.00 C ATOM 527 NH1 ARG A 35 -4.165 11.840 -6.460 1.00 0.00 N ATOM 528 NH2 ARG A 35 -4.135 13.358 -8.130 1.00 0.00 N ATOM 0 H ARG A 35 -3.597 15.746 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.892 16.918 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.835 14.536 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.368 14.247 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.815 15.446 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.655 14.444 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.475 12.605 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.042 12.883 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.509 14.558 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.853 11.522 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.838 11.286 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.800 14.235 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.808 12.789 -8.644 1.00 0.00 H new ATOM 542 N SER A 36 -4.946 16.172 -3.910 1.00 0.00 N ATOM 543 CA SER A 36 -5.946 16.508 -4.903 1.00 0.00 C ATOM 544 C SER A 36 -6.710 17.745 -4.486 1.00 0.00 C ATOM 545 O SER A 36 -6.658 18.103 -3.314 1.00 0.00 O ATOM 546 CB SER A 36 -6.894 15.324 -5.109 1.00 0.00 C ATOM 547 OG SER A 36 -7.219 15.188 -6.486 1.00 0.00 O ATOM 0 H SER A 36 -5.236 15.460 -3.240 1.00 0.00 H new ATOM 0 HA SER A 36 -5.449 16.723 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.428 14.408 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.803 15.471 -4.526 1.00 0.00 H new ATOM 0 HG SER A 36 -7.824 14.427 -6.606 1.00 0.00 H new ATOM 553 N GLN A 37 -7.434 18.344 -5.438 1.00 0.00 N ATOM 554 CA GLN A 37 -8.253 19.517 -5.168 1.00 0.00 C ATOM 555 C GLN A 37 -9.055 19.370 -3.878 1.00 0.00 C ATOM 556 O GLN A 37 -9.397 18.261 -3.448 1.00 0.00 O ATOM 557 CB GLN A 37 -9.202 19.783 -6.349 1.00 0.00 C ATOM 558 CG GLN A 37 -8.443 20.343 -7.559 1.00 0.00 C ATOM 559 CD GLN A 37 -9.247 21.415 -8.282 1.00 0.00 C ATOM 560 OE1 GLN A 37 -9.686 22.400 -7.712 1.00 0.00 O ATOM 561 NE2 GLN A 37 -9.457 21.227 -9.567 1.00 0.00 N ATOM 0 H GLN A 37 -7.465 18.028 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.579 20.364 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.705 18.858 -6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.976 20.488 -6.045 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.492 20.762 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.212 19.533 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.083 20.398 -10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.994 21.910 -10.101 1.00 0.00 H new ATOM 570 N VAL A 38 -9.389 20.504 -3.284 1.00 0.00 N ATOM 571 CA VAL A 38 -10.133 20.502 -2.039 1.00 0.00 C ATOM 572 C VAL A 38 -11.618 20.460 -2.336 1.00 0.00 C ATOM 573 O VAL A 38 -12.105 21.125 -3.251 1.00 0.00 O ATOM 574 CB VAL A 38 -9.724 21.715 -1.201 1.00 0.00 C ATOM 575 CG1 VAL A 38 -10.238 23.017 -1.820 1.00 0.00 C ATOM 576 CG2 VAL A 38 -10.227 21.559 0.232 1.00 0.00 C ATOM 0 H VAL A 38 -9.158 21.431 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.901 19.614 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.635 21.767 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.931 23.860 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.824 23.132 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.326 22.987 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.930 22.428 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.314 21.477 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.797 20.660 0.673 1.00 0.00 H new ATOM 586 N SER A 39 -12.346 19.635 -1.593 1.00 0.00 N ATOM 587 CA SER A 39 -13.775 19.528 -1.761 1.00 0.00 C ATOM 588 C SER A 39 -14.369 18.667 -0.652 1.00 0.00 C ATOM 589 O SER A 39 -13.661 17.876 -0.003 1.00 0.00 O ATOM 590 CB SER A 39 -14.111 18.935 -3.135 1.00 0.00 C ATOM 591 OG SER A 39 -15.178 19.649 -3.744 1.00 0.00 O ATOM 0 H SER A 39 -11.960 19.031 -0.867 1.00 0.00 H new ATOM 0 HA SER A 39 -14.209 20.526 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.231 18.970 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.385 17.886 -3.026 1.00 0.00 H new ATOM 0 HG SER A 39 -15.376 19.257 -4.620 1.00 0.00 H new ATOM 597 N PRO A 40 -15.676 18.817 -0.372 1.00 0.00 N ATOM 598 CA PRO A 40 -16.350 18.050 0.659 1.00 0.00 C ATOM 599 C PRO A 40 -16.635 16.638 0.129 1.00 0.00 C ATOM 600 O PRO A 40 -17.685 16.325 -0.439 1.00 0.00 O ATOM 601 CB PRO A 40 -17.642 18.805 0.960 1.00 0.00 C ATOM 602 CG PRO A 40 -17.867 19.744 -0.231 1.00 0.00 C ATOM 603 CD PRO A 40 -16.572 19.773 -1.015 1.00 0.00 C ATOM 0 HA PRO A 40 -15.752 17.941 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.479 18.116 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.558 19.367 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -18.688 19.389 -0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.135 20.744 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.743 19.503 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.139 20.773 -1.012 1.00 0.00 H new ATOM 611 N ARG A 41 -15.713 15.723 0.410 1.00 0.00 N ATOM 612 CA ARG A 41 -15.780 14.333 0.033 1.00 0.00 C ATOM 613 C ARG A 41 -16.168 13.486 1.215 1.00 0.00 C ATOM 614 O ARG A 41 -15.697 12.358 1.357 1.00 0.00 O ATOM 615 CB ARG A 41 -14.451 13.843 -0.578 1.00 0.00 C ATOM 616 CG ARG A 41 -13.247 14.587 -0.013 1.00 0.00 C ATOM 617 CD ARG A 41 -13.129 14.466 1.508 1.00 0.00 C ATOM 618 NE ARG A 41 -13.342 15.750 2.191 1.00 0.00 N ATOM 619 CZ ARG A 41 -13.756 15.895 3.444 1.00 0.00 C ATOM 620 NH1 ARG A 41 -14.026 14.840 4.185 1.00 0.00 N ATOM 621 NH2 ARG A 41 -13.949 17.089 3.946 1.00 0.00 N ATOM 0 H ARG A 41 -14.865 15.950 0.930 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.547 14.234 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.338 12.776 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.481 13.973 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.338 14.200 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.318 15.640 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.857 13.740 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.142 14.081 1.764 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.156 16.600 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.917 13.903 3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.344 14.960 5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.781 17.916 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.267 17.192 4.910 1.00 0.00 H new ATOM 635 N MET A 42 -16.907 14.064 2.157 1.00 0.00 N ATOM 636 CA MET A 42 -17.374 13.361 3.332 1.00 0.00 C ATOM 637 C MET A 42 -17.805 11.937 3.037 1.00 0.00 C ATOM 638 O MET A 42 -17.621 11.096 3.914 1.00 0.00 O ATOM 639 CB MET A 42 -18.567 14.096 3.949 1.00 0.00 C ATOM 640 CG MET A 42 -19.532 14.597 2.869 1.00 0.00 C ATOM 641 SD MET A 42 -21.189 14.808 3.530 1.00 0.00 S ATOM 642 CE MET A 42 -22.131 14.087 2.177 1.00 0.00 C ATOM 0 H MET A 42 -17.197 15.041 2.120 1.00 0.00 H new ATOM 0 HA MET A 42 -16.529 13.330 4.020 1.00 0.00 H new ATOM 0 HB2 MET A 42 -19.095 13.429 4.630 1.00 0.00 H new ATOM 0 HB3 MET A 42 -18.211 14.939 4.541 1.00 0.00 H new ATOM 0 HG2 MET A 42 -19.174 15.545 2.468 1.00 0.00 H new ATOM 0 HG3 MET A 42 -19.555 13.889 2.041 1.00 0.00 H new ATOM 0 HE1 MET A 42 -23.195 14.130 2.411 1.00 0.00 H new ATOM 0 HE2 MET A 42 -21.938 14.646 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 42 -21.832 13.048 2.038 1.00 0.00 H new ATOM 652 N ARG A 43 -18.304 11.683 1.814 1.00 0.00 N ATOM 653 CA ARG A 43 -18.634 10.370 1.314 1.00 0.00 C ATOM 654 C ARG A 43 -19.266 10.478 -0.066 1.00 0.00 C ATOM 655 O ARG A 43 -20.447 10.790 -0.158 1.00 0.00 O ATOM 656 CB ARG A 43 -19.611 9.719 2.305 1.00 0.00 C ATOM 657 CG ARG A 43 -18.933 8.564 3.034 1.00 0.00 C ATOM 658 CD ARG A 43 -19.663 8.272 4.335 1.00 0.00 C ATOM 659 NE ARG A 43 -20.894 7.510 4.085 1.00 0.00 N ATOM 660 CZ ARG A 43 -21.664 6.962 5.016 1.00 0.00 C ATOM 661 NH1 ARG A 43 -21.358 7.078 6.289 1.00 0.00 N ATOM 662 NH2 ARG A 43 -22.742 6.294 4.679 1.00 0.00 N ATOM 0 H ARG A 43 -18.489 12.423 1.137 1.00 0.00 H new ATOM 0 HA ARG A 43 -17.735 9.761 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -19.957 10.460 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -20.491 9.356 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.929 7.676 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.892 8.813 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -19.012 7.709 5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -19.906 9.208 4.839 1.00 0.00 H new ATOM 0 HE ARG A 43 -21.181 7.392 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.523 7.593 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -21.956 6.653 6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.993 6.193 3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -23.329 5.875 5.401 1.00 0.00 H new ATOM 676 N GLU A 44 -18.456 10.312 -1.103 1.00 0.00 N ATOM 677 CA GLU A 44 -18.965 10.345 -2.471 1.00 0.00 C ATOM 678 C GLU A 44 -18.337 9.247 -3.305 1.00 0.00 C ATOM 679 O GLU A 44 -19.034 8.410 -3.864 1.00 0.00 O ATOM 680 CB GLU A 44 -18.694 11.725 -3.084 1.00 0.00 C ATOM 681 CG GLU A 44 -20.002 12.398 -3.502 1.00 0.00 C ATOM 682 CD GLU A 44 -20.237 12.242 -5.006 1.00 0.00 C ATOM 683 OE1 GLU A 44 -19.738 13.109 -5.751 1.00 0.00 O ATOM 684 OE2 GLU A 44 -20.917 11.258 -5.379 1.00 0.00 O ATOM 0 H GLU A 44 -17.451 10.154 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 44 -20.041 10.171 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.171 12.352 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.040 11.622 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -20.834 11.959 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.971 13.456 -3.242 1.00 0.00 H new ATOM 691 N GLU A 45 -17.003 9.202 -3.314 1.00 0.00 N ATOM 692 CA GLU A 45 -16.279 8.188 -4.060 1.00 0.00 C ATOM 693 C GLU A 45 -15.700 7.149 -3.121 1.00 0.00 C ATOM 694 O GLU A 45 -15.062 7.487 -2.115 1.00 0.00 O ATOM 695 CB GLU A 45 -15.175 8.847 -4.909 1.00 0.00 C ATOM 696 CG GLU A 45 -15.728 9.274 -6.282 1.00 0.00 C ATOM 697 CD GLU A 45 -15.358 8.255 -7.368 1.00 0.00 C ATOM 698 OE1 GLU A 45 -15.761 7.078 -7.222 1.00 0.00 O ATOM 699 OE2 GLU A 45 -14.488 8.577 -8.212 1.00 0.00 O ATOM 0 H GLU A 45 -16.408 9.860 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.971 7.680 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.776 9.716 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.348 8.150 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.812 9.373 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.332 10.254 -6.548 1.00 0.00 H new ATOM 706 N ASP A 46 -15.863 5.880 -3.484 1.00 0.00 N ATOM 707 CA ASP A 46 -15.377 4.770 -2.690 1.00 0.00 C ATOM 708 C ASP A 46 -14.048 4.309 -3.258 1.00 0.00 C ATOM 709 O ASP A 46 -13.959 3.616 -4.274 1.00 0.00 O ATOM 710 CB ASP A 46 -16.401 3.612 -2.677 1.00 0.00 C ATOM 711 CG ASP A 46 -16.690 3.050 -1.286 1.00 0.00 C ATOM 712 OD1 ASP A 46 -16.395 3.733 -0.278 1.00 0.00 O ATOM 713 OD2 ASP A 46 -17.066 1.862 -1.228 1.00 0.00 O ATOM 0 H ASP A 46 -16.338 5.598 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.239 5.094 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.335 3.962 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.031 2.807 -3.313 1.00 0.00 H new ATOM 718 N HIS A 47 -12.950 4.713 -2.635 1.00 0.00 N ATOM 719 CA HIS A 47 -11.638 4.282 -3.061 1.00 0.00 C ATOM 720 C HIS A 47 -11.145 3.129 -2.206 1.00 0.00 C ATOM 721 O HIS A 47 -9.958 3.034 -1.902 1.00 0.00 O ATOM 722 CB HIS A 47 -10.703 5.500 -3.086 1.00 0.00 C ATOM 723 CG HIS A 47 -10.717 6.224 -4.422 1.00 0.00 C ATOM 724 ND1 HIS A 47 -11.721 6.113 -5.352 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.745 7.071 -4.896 1.00 0.00 C ATOM 726 CE1 HIS A 47 -11.387 6.900 -6.389 1.00 0.00 C ATOM 727 NE2 HIS A 47 -10.192 7.492 -6.141 1.00 0.00 N ATOM 0 H HIS A 47 -12.948 5.341 -1.831 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.669 3.883 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.996 6.194 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -9.686 5.177 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.826 7.351 -4.403 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.979 7.040 -7.282 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.705 8.137 -6.763 1.00 0.00 H new ATOM 736 N LYS A 48 -12.046 2.223 -1.842 1.00 0.00 N ATOM 737 CA LYS A 48 -11.710 1.096 -0.997 1.00 0.00 C ATOM 738 C LYS A 48 -11.954 -0.199 -1.733 1.00 0.00 C ATOM 739 O LYS A 48 -11.013 -0.947 -1.969 1.00 0.00 O ATOM 740 CB LYS A 48 -12.494 1.131 0.309 1.00 0.00 C ATOM 741 CG LYS A 48 -11.669 0.510 1.437 1.00 0.00 C ATOM 742 CD LYS A 48 -12.580 -0.074 2.516 1.00 0.00 C ATOM 743 CE LYS A 48 -12.419 -1.602 2.602 1.00 0.00 C ATOM 744 NZ LYS A 48 -13.735 -2.263 2.720 1.00 0.00 N ATOM 0 H LYS A 48 -13.025 2.254 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.651 1.162 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.750 2.160 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.432 0.588 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.026 -0.273 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.017 1.265 1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.343 0.376 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.618 0.175 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.902 -1.968 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.800 -1.859 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.602 -3.293 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.216 -1.928 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.314 -2.034 1.887 1.00 0.00 H new ATOM 758 N GLN A 49 -13.188 -0.430 -2.175 1.00 0.00 N ATOM 759 CA GLN A 49 -13.499 -1.602 -2.963 1.00 0.00 C ATOM 760 C GLN A 49 -12.610 -1.721 -4.190 1.00 0.00 C ATOM 761 O GLN A 49 -12.373 -2.833 -4.638 1.00 0.00 O ATOM 762 CB GLN A 49 -14.955 -1.566 -3.421 1.00 0.00 C ATOM 763 CG GLN A 49 -15.880 -2.076 -2.315 1.00 0.00 C ATOM 764 CD GLN A 49 -17.262 -2.437 -2.842 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.493 -2.627 -4.023 1.00 0.00 O ATOM 766 NE2 GLN A 49 -18.207 -2.594 -1.943 1.00 0.00 N ATOM 0 H GLN A 49 -13.983 0.184 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.324 -2.465 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.231 -0.547 -3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.076 -2.178 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.432 -2.951 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.975 -1.313 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.004 -2.433 -0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.143 -2.877 -2.232 1.00 0.00 H new ATOM 775 N LEU A 50 -12.032 -0.610 -4.650 1.00 0.00 N ATOM 776 CA LEU A 50 -11.072 -0.607 -5.717 1.00 0.00 C ATOM 777 C LEU A 50 -9.728 -1.216 -5.273 1.00 0.00 C ATOM 778 O LEU A 50 -9.119 -1.994 -5.990 1.00 0.00 O ATOM 779 CB LEU A 50 -10.896 0.830 -6.233 1.00 0.00 C ATOM 780 CG LEU A 50 -11.899 1.208 -7.326 1.00 0.00 C ATOM 781 CD1 LEU A 50 -11.736 2.687 -7.689 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.731 0.324 -8.570 1.00 0.00 C ATOM 0 H LEU A 50 -12.231 0.318 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.443 -1.234 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.000 1.524 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.884 0.948 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.905 1.043 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.452 2.952 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.916 3.300 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.723 2.863 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.458 0.619 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.724 0.444 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.892 -0.720 -8.299 1.00 0.00 H new ATOM 794 N CYS A 51 -9.295 -0.938 -4.052 1.00 0.00 N ATOM 795 CA CYS A 51 -8.122 -1.559 -3.500 1.00 0.00 C ATOM 796 C CYS A 51 -8.358 -3.032 -3.189 1.00 0.00 C ATOM 797 O CYS A 51 -7.535 -3.855 -3.572 1.00 0.00 O ATOM 798 CB CYS A 51 -7.671 -0.813 -2.246 1.00 0.00 C ATOM 799 SG CYS A 51 -8.423 -1.261 -0.647 1.00 0.00 S ATOM 0 H CYS A 51 -9.753 -0.276 -3.425 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.332 -1.505 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.593 -0.943 -2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.851 0.249 -2.410 1.00 0.00 H new ATOM 804 N CYS A 52 -9.506 -3.362 -2.587 1.00 0.00 N ATOM 805 CA CYS A 52 -9.862 -4.738 -2.303 1.00 0.00 C ATOM 806 C CYS A 52 -10.096 -5.510 -3.604 1.00 0.00 C ATOM 807 O CYS A 52 -10.144 -6.735 -3.604 1.00 0.00 O ATOM 808 CB CYS A 52 -11.097 -4.782 -1.388 1.00 0.00 C ATOM 809 SG CYS A 52 -11.235 -6.249 -0.340 1.00 0.00 S ATOM 0 H CYS A 52 -10.204 -2.681 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.037 -5.222 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.086 -3.899 -0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.990 -4.715 -2.009 1.00 0.00 H new ATOM 814 N MET A 53 -10.228 -4.783 -4.715 1.00 0.00 N ATOM 815 CA MET A 53 -10.439 -5.347 -6.018 1.00 0.00 C ATOM 816 C MET A 53 -9.117 -5.777 -6.628 1.00 0.00 C ATOM 817 O MET A 53 -8.894 -6.968 -6.779 1.00 0.00 O ATOM 818 CB MET A 53 -11.093 -4.340 -6.959 1.00 0.00 C ATOM 819 CG MET A 53 -11.256 -4.883 -8.364 1.00 0.00 C ATOM 820 SD MET A 53 -10.866 -3.628 -9.589 1.00 0.00 S ATOM 821 CE MET A 53 -9.904 -4.633 -10.728 1.00 0.00 C ATOM 0 H MET A 53 -10.188 -3.764 -4.717 1.00 0.00 H new ATOM 0 HA MET A 53 -11.097 -6.207 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.070 -4.060 -6.565 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.490 -3.432 -6.991 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.604 -5.746 -8.502 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.279 -5.230 -8.507 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.526 -4.007 -11.536 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.066 -5.084 -10.197 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.536 -5.419 -11.143 1.00 0.00 H new ATOM 831 N GLN A 54 -8.261 -4.831 -7.013 1.00 0.00 N ATOM 832 CA GLN A 54 -6.990 -5.159 -7.629 1.00 0.00 C ATOM 833 C GLN A 54 -6.191 -6.136 -6.770 1.00 0.00 C ATOM 834 O GLN A 54 -5.550 -7.040 -7.293 1.00 0.00 O ATOM 835 CB GLN A 54 -6.144 -3.903 -7.785 1.00 0.00 C ATOM 836 CG GLN A 54 -6.531 -3.139 -9.041 1.00 0.00 C ATOM 837 CD GLN A 54 -6.774 -1.658 -8.775 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.421 -1.227 -7.836 1.00 0.00 O ATOM 839 NE2 GLN A 54 -6.286 -0.805 -9.635 1.00 0.00 N ATOM 0 H GLN A 54 -8.432 -3.831 -6.906 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.211 -5.609 -8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.272 -3.263 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.089 -4.174 -7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.741 -3.246 -9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.432 -3.580 -9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.741 -1.138 -10.430 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.450 0.194 -9.512 1.00 0.00 H new ATOM 848 N LEU A 55 -6.255 -5.983 -5.449 1.00 0.00 N ATOM 849 CA LEU A 55 -5.624 -6.937 -4.560 1.00 0.00 C ATOM 850 C LEU A 55 -6.175 -8.353 -4.731 1.00 0.00 C ATOM 851 O LEU A 55 -5.406 -9.303 -4.646 1.00 0.00 O ATOM 852 CB LEU A 55 -5.825 -6.490 -3.120 1.00 0.00 C ATOM 853 CG LEU A 55 -4.719 -5.593 -2.556 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.253 -4.382 -1.770 1.00 0.00 C ATOM 855 CD2 LEU A 55 -3.687 -6.395 -1.756 1.00 0.00 C ATOM 0 H LEU A 55 -6.734 -5.214 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.564 -6.967 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.774 -5.958 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.910 -7.375 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.204 -5.174 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.416 -3.791 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.870 -3.767 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.852 -4.730 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.920 -5.722 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.181 -6.894 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.225 -7.141 -2.403 1.00 0.00 H new ATOM 867 N LYS A 56 -7.461 -8.476 -5.042 1.00 0.00 N ATOM 868 CA LYS A 56 -8.062 -9.740 -5.420 1.00 0.00 C ATOM 869 C LYS A 56 -7.555 -10.278 -6.773 1.00 0.00 C ATOM 870 O LYS A 56 -7.839 -11.411 -7.151 1.00 0.00 O ATOM 871 CB LYS A 56 -9.594 -9.601 -5.397 1.00 0.00 C ATOM 872 CG LYS A 56 -10.293 -10.954 -5.521 1.00 0.00 C ATOM 873 CD LYS A 56 -11.066 -11.313 -4.258 1.00 0.00 C ATOM 874 CE LYS A 56 -10.275 -12.324 -3.410 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.043 -13.577 -3.253 1.00 0.00 N ATOM 0 H LYS A 56 -8.116 -7.694 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.755 -10.486 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.900 -9.118 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.912 -8.953 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.976 -10.933 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.553 -11.727 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.259 -10.413 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.035 -11.734 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.316 -12.535 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.059 -11.897 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.496 -14.250 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.947 -13.373 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.227 -13.991 -4.189 1.00 0.00 H new ATOM 889 N ASN A 57 -6.820 -9.459 -7.506 1.00 0.00 N ATOM 890 CA ASN A 57 -6.169 -9.864 -8.726 1.00 0.00 C ATOM 891 C ASN A 57 -4.740 -10.320 -8.499 1.00 0.00 C ATOM 892 O ASN A 57 -4.172 -10.999 -9.354 1.00 0.00 O ATOM 893 CB ASN A 57 -6.153 -8.682 -9.716 1.00 0.00 C ATOM 894 CG ASN A 57 -6.870 -8.990 -11.006 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.251 -10.103 -11.327 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.132 -7.958 -11.777 1.00 0.00 N ATOM 0 H ASN A 57 -6.661 -8.482 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.733 -10.707 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.617 -7.814 -9.246 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.120 -8.412 -9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.654 -8.088 -12.644 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.813 -7.027 -11.509 1.00 0.00 H new ATOM 903 N LEU A 58 -4.132 -9.852 -7.404 1.00 0.00 N ATOM 904 CA LEU A 58 -2.801 -10.253 -7.030 1.00 0.00 C ATOM 905 C LEU A 58 -2.757 -11.722 -6.616 1.00 0.00 C ATOM 906 O LEU A 58 -3.710 -12.469 -6.800 1.00 0.00 O ATOM 907 CB LEU A 58 -2.256 -9.293 -5.947 1.00 0.00 C ATOM 908 CG LEU A 58 -1.270 -8.259 -6.467 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.514 -7.618 -5.297 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.264 -8.889 -7.394 1.00 0.00 C ATOM 0 H LEU A 58 -4.561 -9.185 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.141 -10.177 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.095 -8.776 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.771 -9.881 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.839 -7.504 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.190 -6.879 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.224 -7.131 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.030 -8.388 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.429 -8.127 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.290 -9.661 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.781 -9.336 -8.243 1.00 0.00 H new ATOM 922 N ASP A 59 -1.623 -12.138 -6.072 1.00 0.00 N ATOM 923 CA ASP A 59 -1.473 -13.493 -5.590 1.00 0.00 C ATOM 924 C ASP A 59 -1.606 -13.532 -4.085 1.00 0.00 C ATOM 925 O ASP A 59 -1.167 -12.603 -3.394 1.00 0.00 O ATOM 926 CB ASP A 59 -0.091 -14.016 -6.002 1.00 0.00 C ATOM 927 CG ASP A 59 -0.150 -15.372 -6.687 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.358 -16.347 -5.937 1.00 0.00 O ATOM 929 OD2 ASP A 59 0.121 -15.410 -7.908 1.00 0.00 O ATOM 0 H ASP A 59 -0.796 -11.553 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.253 -14.120 -6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.379 -13.296 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.542 -14.089 -5.118 1.00 0.00 H new ATOM 934 N GLU A 60 -2.047 -14.664 -3.551 1.00 0.00 N ATOM 935 CA GLU A 60 -2.137 -14.856 -2.108 1.00 0.00 C ATOM 936 C GLU A 60 -0.776 -14.842 -1.433 1.00 0.00 C ATOM 937 O GLU A 60 -0.664 -14.710 -0.211 1.00 0.00 O ATOM 938 CB GLU A 60 -2.871 -16.171 -1.797 1.00 0.00 C ATOM 939 CG GLU A 60 -4.167 -15.908 -1.022 1.00 0.00 C ATOM 940 CD GLU A 60 -5.283 -16.836 -1.494 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.231 -18.028 -1.117 1.00 0.00 O ATOM 942 OE2 GLU A 60 -6.190 -16.342 -2.206 1.00 0.00 O ATOM 0 H GLU A 60 -2.350 -15.469 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.702 -14.016 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.099 -16.693 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.222 -16.825 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.994 -16.054 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.471 -14.870 -1.156 1.00 0.00 H new ATOM 949 N LYS A 61 0.277 -14.939 -2.236 1.00 0.00 N ATOM 950 CA LYS A 61 1.620 -14.846 -1.770 1.00 0.00 C ATOM 951 C LYS A 61 2.196 -13.472 -2.031 1.00 0.00 C ATOM 952 O LYS A 61 3.281 -13.213 -1.532 1.00 0.00 O ATOM 953 CB LYS A 61 2.469 -15.943 -2.426 1.00 0.00 C ATOM 954 CG LYS A 61 2.647 -17.113 -1.453 1.00 0.00 C ATOM 955 CD LYS A 61 3.995 -17.014 -0.732 1.00 0.00 C ATOM 956 CE LYS A 61 4.391 -18.372 -0.134 1.00 0.00 C ATOM 957 NZ LYS A 61 5.845 -18.415 0.142 1.00 0.00 N ATOM 0 H LYS A 61 0.201 -15.087 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 61 1.630 -14.995 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.989 -16.289 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.442 -15.542 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.837 -17.113 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.587 -18.057 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.763 -16.680 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.936 -16.266 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.835 -18.546 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.122 -19.172 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.094 -19.340 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.371 -18.271 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.092 -17.664 0.818 1.00 0.00 H new ATOM 971 N CYS A 62 1.521 -12.616 -2.785 1.00 0.00 N ATOM 972 CA CYS A 62 1.902 -11.247 -3.008 1.00 0.00 C ATOM 973 C CYS A 62 1.071 -10.323 -2.115 1.00 0.00 C ATOM 974 O CYS A 62 1.454 -9.187 -1.851 1.00 0.00 O ATOM 975 CB CYS A 62 1.722 -10.902 -4.482 1.00 0.00 C ATOM 976 SG CYS A 62 2.555 -11.986 -5.685 1.00 0.00 S ATOM 0 H CYS A 62 0.663 -12.875 -3.272 1.00 0.00 H new ATOM 0 HA CYS A 62 2.952 -11.109 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.655 -10.905 -4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.078 -9.884 -4.639 1.00 0.00 H new ATOM 981 N MET A 63 -0.001 -10.815 -1.523 1.00 0.00 N ATOM 982 CA MET A 63 -0.844 -10.025 -0.669 1.00 0.00 C ATOM 983 C MET A 63 -0.307 -10.016 0.763 1.00 0.00 C ATOM 984 O MET A 63 -0.927 -10.515 1.685 1.00 0.00 O ATOM 985 CB MET A 63 -2.254 -10.594 -0.717 1.00 0.00 C ATOM 986 CG MET A 63 -2.920 -10.410 -2.079 1.00 0.00 C ATOM 987 SD MET A 63 -3.978 -11.791 -2.511 1.00 0.00 S ATOM 988 CE MET A 63 -4.942 -11.940 -1.007 1.00 0.00 C ATOM 0 H MET A 63 -0.307 -11.782 -1.627 1.00 0.00 H new ATOM 0 HA MET A 63 -0.856 -8.992 -1.018 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.221 -11.656 -0.474 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.862 -10.111 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.509 -9.493 -2.072 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.152 -10.290 -2.843 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.653 -12.759 -1.110 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.277 -12.141 -0.167 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.483 -11.011 -0.828 1.00 0.00 H new ATOM 998 N CYS A 64 0.877 -9.472 0.967 1.00 0.00 N ATOM 999 CA CYS A 64 1.525 -9.456 2.257 1.00 0.00 C ATOM 1000 C CYS A 64 2.941 -8.940 2.070 1.00 0.00 C ATOM 1001 O CYS A 64 3.291 -7.897 2.627 1.00 0.00 O ATOM 1002 CB CYS A 64 1.545 -10.839 2.957 1.00 0.00 C ATOM 1003 SG CYS A 64 3.105 -11.288 3.826 1.00 0.00 S ATOM 0 H CYS A 64 1.420 -9.024 0.229 1.00 0.00 H new ATOM 0 HA CYS A 64 0.949 -8.803 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.730 -10.869 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.337 -11.604 2.209 1.00 0.00 H new ATOM 1008 N PRO A 65 3.742 -9.628 1.225 1.00 0.00 N ATOM 1009 CA PRO A 65 5.121 -9.236 0.974 1.00 0.00 C ATOM 1010 C PRO A 65 5.164 -8.057 0.015 1.00 0.00 C ATOM 1011 O PRO A 65 6.104 -7.272 0.049 1.00 0.00 O ATOM 1012 CB PRO A 65 5.793 -10.463 0.357 1.00 0.00 C ATOM 1013 CG PRO A 65 4.667 -11.359 -0.132 1.00 0.00 C ATOM 1014 CD PRO A 65 3.389 -10.845 0.484 1.00 0.00 C ATOM 0 HA PRO A 65 5.629 -8.922 1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.448 -10.176 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.411 -10.979 1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.605 -11.340 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.845 -12.394 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.647 -10.629 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.952 -11.590 1.148 1.00 0.00 H new ATOM 1022 N ALA A 66 4.126 -7.893 -0.822 1.00 0.00 N ATOM 1023 CA ALA A 66 4.033 -6.794 -1.730 1.00 0.00 C ATOM 1024 C ALA A 66 3.712 -5.544 -0.950 1.00 0.00 C ATOM 1025 O ALA A 66 4.492 -4.617 -1.031 1.00 0.00 O ATOM 1026 CB ALA A 66 2.976 -7.074 -2.786 1.00 0.00 C ATOM 0 H ALA A 66 3.336 -8.536 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 66 4.983 -6.654 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.914 -6.229 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.245 -7.973 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.010 -7.221 -2.304 1.00 0.00 H new ATOM 1032 N ILE A 67 2.616 -5.517 -0.193 1.00 0.00 N ATOM 1033 CA ILE A 67 2.214 -4.365 0.596 1.00 0.00 C ATOM 1034 C ILE A 67 3.421 -3.732 1.276 1.00 0.00 C ATOM 1035 O ILE A 67 3.632 -2.535 1.156 1.00 0.00 O ATOM 1036 CB ILE A 67 1.164 -4.761 1.631 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.079 -5.306 0.914 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.869 -3.569 2.557 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.308 -5.218 1.803 1.00 0.00 C ATOM 0 H ILE A 67 1.977 -6.308 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 67 1.773 -3.629 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 67 1.534 -5.562 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.249 -4.743 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.090 -6.343 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.119 -3.857 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.784 -3.270 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.495 -2.733 1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.173 -5.611 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.145 -5.802 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.490 -4.177 2.071 1.00 0.00 H new ATOM 1051 N MET A 68 4.234 -4.535 1.955 1.00 0.00 N ATOM 1052 CA MET A 68 5.466 -4.062 2.544 1.00 0.00 C ATOM 1053 C MET A 68 6.248 -3.121 1.632 1.00 0.00 C ATOM 1054 O MET A 68 6.537 -2.016 2.081 1.00 0.00 O ATOM 1055 CB MET A 68 6.359 -5.237 2.905 1.00 0.00 C ATOM 1056 CG MET A 68 6.070 -5.725 4.315 1.00 0.00 C ATOM 1057 SD MET A 68 6.340 -7.493 4.428 1.00 0.00 S ATOM 1058 CE MET A 68 6.248 -7.696 6.202 1.00 0.00 C ATOM 0 H MET A 68 4.052 -5.527 2.108 1.00 0.00 H new ATOM 0 HA MET A 68 5.179 -3.501 3.433 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.202 -6.049 2.195 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.405 -4.942 2.825 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.713 -5.206 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.041 -5.489 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.199 -8.758 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.133 -7.258 6.665 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.356 -7.196 6.580 1.00 0.00 H new ATOM 1068 N MET A 69 6.470 -3.539 0.388 1.00 0.00 N ATOM 1069 CA MET A 69 7.094 -2.729 -0.630 1.00 0.00 C ATOM 1070 C MET A 69 6.219 -1.602 -1.162 1.00 0.00 C ATOM 1071 O MET A 69 6.720 -0.532 -1.496 1.00 0.00 O ATOM 1072 CB MET A 69 7.461 -3.610 -1.821 1.00 0.00 C ATOM 1073 CG MET A 69 8.600 -4.551 -1.453 1.00 0.00 C ATOM 1074 SD MET A 69 10.097 -3.629 -1.070 1.00 0.00 S ATOM 1075 CE MET A 69 11.280 -4.968 -1.066 1.00 0.00 C ATOM 0 H MET A 69 6.212 -4.471 0.063 1.00 0.00 H new ATOM 0 HA MET A 69 7.962 -2.278 -0.150 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.592 -4.187 -2.137 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.754 -2.987 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.312 -5.158 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.792 -5.237 -2.278 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.272 -4.576 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.000 -5.699 -0.307 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.290 -5.447 -2.045 1.00 0.00 H new ATOM 1085 N MET A 70 4.912 -1.798 -1.221 1.00 0.00 N ATOM 1086 CA MET A 70 3.995 -0.775 -1.638 1.00 0.00 C ATOM 1087 C MET A 70 4.179 0.505 -0.835 1.00 0.00 C ATOM 1088 O MET A 70 3.974 1.603 -1.332 1.00 0.00 O ATOM 1089 CB MET A 70 2.572 -1.303 -1.458 1.00 0.00 C ATOM 1090 CG MET A 70 1.851 -0.778 -0.218 1.00 0.00 C ATOM 1091 SD MET A 70 1.104 0.831 -0.490 1.00 0.00 S ATOM 1092 CE MET A 70 -0.108 0.821 0.813 1.00 0.00 C ATOM 0 H MET A 70 4.464 -2.681 -0.977 1.00 0.00 H new ATOM 0 HA MET A 70 4.187 -0.532 -2.683 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.987 -1.042 -2.340 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.606 -2.391 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.079 -1.488 0.078 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.558 -0.712 0.609 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.097 0.650 0.388 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.125 0.026 1.521 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.095 1.781 1.329 1.00 0.00 H new ATOM 1102 N LEU A 71 4.560 0.363 0.440 1.00 0.00 N ATOM 1103 CA LEU A 71 4.751 1.481 1.320 1.00 0.00 C ATOM 1104 C LEU A 71 6.232 1.869 1.332 1.00 0.00 C ATOM 1105 O LEU A 71 6.746 2.432 2.299 1.00 0.00 O ATOM 1106 CB LEU A 71 4.216 1.135 2.720 1.00 0.00 C ATOM 1107 CG LEU A 71 2.706 0.960 2.813 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.334 -0.262 3.646 1.00 0.00 C ATOM 1109 CD2 LEU A 71 2.012 2.215 3.326 1.00 0.00 C ATOM 0 H LEU A 71 4.741 -0.542 0.875 1.00 0.00 H new ATOM 0 HA LEU A 71 4.190 2.347 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.694 0.215 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.518 1.922 3.411 1.00 0.00 H new ATOM 0 HG LEU A 71 2.346 0.790 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.249 -0.355 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.757 -1.157 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.730 -0.149 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.937 2.042 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.386 2.457 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.215 3.045 2.650 1.00 0.00 H new ATOM 1121 N ASN A 72 6.940 1.512 0.275 1.00 0.00 N ATOM 1122 CA ASN A 72 8.331 1.809 0.069 1.00 0.00 C ATOM 1123 C ASN A 72 8.574 2.418 -1.291 1.00 0.00 C ATOM 1124 O ASN A 72 9.722 2.640 -1.675 1.00 0.00 O ATOM 1125 CB ASN A 72 9.173 0.534 0.217 1.00 0.00 C ATOM 1126 CG ASN A 72 9.219 0.041 1.644 1.00 0.00 C ATOM 1127 OD1 ASN A 72 9.039 -1.119 1.961 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.573 0.912 2.565 1.00 0.00 N ATOM 0 H ASN A 72 6.533 0.982 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 72 8.627 2.535 0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.761 -0.247 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.187 0.729 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.693 0.611 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.727 1.888 2.312 1.00 0.00 H new ATOM 1135 N GLU A 73 7.494 2.680 -2.018 1.00 0.00 N ATOM 1136 CA GLU A 73 7.578 3.263 -3.331 1.00 0.00 C ATOM 1137 C GLU A 73 7.695 4.778 -3.243 1.00 0.00 C ATOM 1138 O GLU A 73 7.516 5.364 -2.162 1.00 0.00 O ATOM 1139 CB GLU A 73 6.366 2.844 -4.176 1.00 0.00 C ATOM 1140 CG GLU A 73 6.819 1.852 -5.237 1.00 0.00 C ATOM 1141 CD GLU A 73 5.623 1.419 -6.076 1.00 0.00 C ATOM 1142 OE1 GLU A 73 4.759 0.703 -5.535 1.00 0.00 O ATOM 1143 OE2 GLU A 73 5.626 1.850 -7.254 1.00 0.00 O ATOM 0 H GLU A 73 6.542 2.491 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 73 8.478 2.892 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.603 2.394 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.915 3.718 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.577 2.307 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.278 0.984 -4.765 1.00 0.00 H new ATOM 1150 N PRO A 74 7.962 5.446 -4.384 1.00 0.00 N ATOM 1151 CA PRO A 74 8.066 6.895 -4.450 1.00 0.00 C ATOM 1152 C PRO A 74 6.683 7.550 -4.379 1.00 0.00 C ATOM 1153 O PRO A 74 6.340 8.470 -5.128 1.00 0.00 O ATOM 1154 CB PRO A 74 8.780 7.180 -5.776 1.00 0.00 C ATOM 1155 CG PRO A 74 8.628 5.920 -6.633 1.00 0.00 C ATOM 1156 CD PRO A 74 8.160 4.825 -5.698 1.00 0.00 C ATOM 0 HA PRO A 74 8.619 7.312 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.341 8.044 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.832 7.410 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.908 6.080 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.575 5.652 -7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.233 4.379 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.898 4.025 -5.640 1.00 0.00 H new ATOM 1164 N MET A 75 5.880 7.134 -3.413 1.00 0.00 N ATOM 1165 CA MET A 75 4.578 7.662 -3.212 1.00 0.00 C ATOM 1166 C MET A 75 4.045 7.262 -1.869 1.00 0.00 C ATOM 1167 O MET A 75 2.839 7.247 -1.692 1.00 0.00 O ATOM 1168 CB MET A 75 3.634 7.144 -4.311 1.00 0.00 C ATOM 1169 CG MET A 75 2.365 8.000 -4.394 1.00 0.00 C ATOM 1170 SD MET A 75 2.388 9.156 -5.765 1.00 0.00 S ATOM 1171 CE MET A 75 3.073 10.590 -4.925 1.00 0.00 C ATOM 0 H MET A 75 6.137 6.407 -2.745 1.00 0.00 H new ATOM 0 HA MET A 75 4.636 8.750 -3.256 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.148 7.156 -5.272 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.365 6.108 -4.106 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.498 7.346 -4.492 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.244 8.552 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.949 11.473 -5.552 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.553 10.741 -3.979 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.134 10.427 -4.734 1.00 0.00 H new ATOM 1181 N TRP A 76 4.916 6.942 -0.912 1.00 0.00 N ATOM 1182 CA TRP A 76 4.534 6.540 0.423 1.00 0.00 C ATOM 1183 C TRP A 76 5.709 6.706 1.351 1.00 0.00 C ATOM 1184 O TRP A 76 6.427 5.742 1.632 1.00 0.00 O ATOM 1185 CB TRP A 76 3.965 5.098 0.409 1.00 0.00 C ATOM 1186 CG TRP A 76 2.632 4.934 -0.268 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.398 4.174 -1.355 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.404 5.645 0.000 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.082 4.360 -1.752 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.450 5.285 -0.951 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.063 6.624 0.915 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.831 5.798 -0.978 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.222 7.174 0.932 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.171 6.748 -0.010 1.00 0.00 C ATOM 0 H TRP A 76 5.926 6.958 -1.056 1.00 0.00 H new ATOM 0 HA TRP A 76 3.734 7.180 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.686 4.446 -0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.875 4.752 1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.116 3.527 -1.837 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.641 3.876 -2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.799 6.968 1.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.546 5.477 -1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.483 7.922 1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.170 7.157 0.013 1.00 0.00 H new ATOM 1205 N ILE A 77 5.917 7.937 1.861 1.00 0.00 N ATOM 1206 CA ILE A 77 7.082 8.271 2.684 1.00 0.00 C ATOM 1207 C ILE A 77 6.649 8.697 4.074 1.00 0.00 C ATOM 1208 O ILE A 77 5.785 8.076 4.661 1.00 0.00 O ATOM 1209 CB ILE A 77 8.005 9.300 2.012 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.015 9.169 0.493 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.414 9.206 2.621 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.379 7.750 0.044 1.00 0.00 C ATOM 0 H ILE A 77 5.281 8.720 1.711 1.00 0.00 H new ATOM 0 HA ILE A 77 7.683 7.367 2.787 1.00 0.00 H new ATOM 0 HB ILE A 77 7.612 10.297 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.034 9.434 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.729 9.877 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.067 9.937 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.363 9.410 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.813 8.204 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.375 7.701 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.372 7.494 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.650 7.044 0.442 1.00 0.00 H new ATOM 1224 N ARG A 78 7.155 9.798 4.610 1.00 0.00 N ATOM 1225 CA ARG A 78 6.692 10.299 5.882 1.00 0.00 C ATOM 1226 C ARG A 78 5.178 10.495 5.931 1.00 0.00 C ATOM 1227 O ARG A 78 4.589 10.543 7.000 1.00 0.00 O ATOM 1228 CB ARG A 78 7.363 11.637 6.159 1.00 0.00 C ATOM 1229 CG ARG A 78 8.829 11.449 6.568 1.00 0.00 C ATOM 1230 CD ARG A 78 9.781 12.104 5.559 1.00 0.00 C ATOM 1231 NE ARG A 78 10.843 12.850 6.249 1.00 0.00 N ATOM 1232 CZ ARG A 78 10.727 14.088 6.728 1.00 0.00 C ATOM 1233 NH1 ARG A 78 9.606 14.762 6.583 1.00 0.00 N ATOM 1234 NH2 ARG A 78 11.731 14.656 7.353 1.00 0.00 N ATOM 0 H ARG A 78 7.889 10.359 4.177 1.00 0.00 H new ATOM 0 HA ARG A 78 6.951 9.554 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.309 12.265 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.826 12.159 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.991 11.880 7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.053 10.385 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.224 11.339 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.222 12.777 4.909 1.00 0.00 H new ATOM 0 HE ARG A 78 11.741 12.382 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.814 14.337 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.529 15.709 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.608 14.150 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.635 15.604 7.717 1.00 0.00 H new ATOM 1248 N MET A 79 4.565 10.608 4.764 1.00 0.00 N ATOM 1249 CA MET A 79 3.144 10.693 4.635 1.00 0.00 C ATOM 1250 C MET A 79 2.484 9.315 4.750 1.00 0.00 C ATOM 1251 O MET A 79 1.372 9.202 5.203 1.00 0.00 O ATOM 1252 CB MET A 79 2.784 11.292 3.278 1.00 0.00 C ATOM 1253 CG MET A 79 3.650 10.713 2.156 1.00 0.00 C ATOM 1254 SD MET A 79 2.914 11.062 0.556 1.00 0.00 S ATOM 1255 CE MET A 79 2.759 9.385 -0.022 1.00 0.00 C ATOM 0 H MET A 79 5.061 10.643 3.873 1.00 0.00 H new ATOM 0 HA MET A 79 2.778 11.326 5.444 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.733 11.100 3.063 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.909 12.374 3.313 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.652 11.140 2.204 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.756 9.636 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.086 9.356 -0.879 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.739 9.010 -0.317 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.357 8.761 0.776 1.00 0.00 H new ATOM 1265 N ARG A 80 3.146 8.243 4.358 1.00 0.00 N ATOM 1266 CA ARG A 80 2.635 6.919 4.535 1.00 0.00 C ATOM 1267 C ARG A 80 2.702 6.446 5.963 1.00 0.00 C ATOM 1268 O ARG A 80 2.065 5.455 6.277 1.00 0.00 O ATOM 1269 CB ARG A 80 3.401 5.938 3.677 1.00 0.00 C ATOM 1270 CG ARG A 80 4.768 5.578 4.250 1.00 0.00 C ATOM 1271 CD ARG A 80 5.047 4.116 4.318 1.00 0.00 C ATOM 1272 NE ARG A 80 6.087 3.824 5.312 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.367 4.151 5.198 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.809 4.806 4.150 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.208 3.832 6.156 1.00 0.00 N ATOM 0 H ARG A 80 4.059 8.279 3.906 1.00 0.00 H new ATOM 0 HA ARG A 80 1.587 6.962 4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.812 5.028 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.532 6.361 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.538 6.054 3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.849 5.997 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.133 3.579 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.364 3.757 3.339 1.00 0.00 H new ATOM 0 HE ARG A 80 5.802 3.330 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.164 5.072 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.797 5.049 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.875 3.335 6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.194 4.081 6.073 1.00 0.00 H new ATOM 1289 N ASP A 81 3.524 7.065 6.797 1.00 0.00 N ATOM 1290 CA ASP A 81 3.681 6.678 8.186 1.00 0.00 C ATOM 1291 C ASP A 81 2.324 6.474 8.846 1.00 0.00 C ATOM 1292 O ASP A 81 2.144 5.614 9.707 1.00 0.00 O ATOM 1293 CB ASP A 81 4.432 7.766 8.953 1.00 0.00 C ATOM 1294 CG ASP A 81 5.531 7.243 9.869 1.00 0.00 C ATOM 1295 OD1 ASP A 81 6.616 6.952 9.330 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.252 7.104 11.082 1.00 0.00 O ATOM 0 H ASP A 81 4.105 7.857 6.523 1.00 0.00 H new ATOM 0 HA ASP A 81 4.243 5.744 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.872 8.461 8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.717 8.333 9.550 1.00 0.00 H new ATOM 1301 N GLN A 82 1.332 7.202 8.335 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.032 7.058 8.758 1.00 0.00 C ATOM 1303 C GLN A 82 -0.792 5.965 8.025 1.00 0.00 C ATOM 1304 O GLN A 82 -1.433 5.110 8.649 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.761 8.377 8.582 1.00 0.00 C ATOM 1306 CG GLN A 82 -1.730 8.606 9.726 1.00 0.00 C ATOM 1307 CD GLN A 82 -2.854 9.548 9.345 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -3.847 9.133 8.758 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -2.679 10.809 9.684 1.00 0.00 N ATOM 0 H GLN A 82 1.468 7.909 7.612 1.00 0.00 H new ATOM 0 HA GLN A 82 0.004 6.764 9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.041 9.194 8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.301 8.377 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.150 7.651 10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.190 9.014 10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.829 11.093 10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.393 11.502 9.458 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.661 5.940 6.704 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.247 4.911 5.891 1.00 0.00 C ATOM 1320 C VAL A 83 -0.645 3.555 6.224 1.00 0.00 C ATOM 1321 O VAL A 83 -1.151 2.544 5.792 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.121 5.221 4.391 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.335 6.694 4.143 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.202 4.784 3.795 1.00 0.00 C ATOM 0 H VAL A 83 -0.141 6.641 6.176 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.312 4.879 6.121 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.896 4.640 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.243 6.901 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.330 6.979 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.586 7.268 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.223 5.033 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.018 5.297 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.318 3.707 3.917 1.00 0.00 H new ATOM 1334 N MET A 84 0.431 3.499 6.990 1.00 0.00 N ATOM 1335 CA MET A 84 1.112 2.305 7.358 1.00 0.00 C ATOM 1336 C MET A 84 0.281 1.538 8.362 1.00 0.00 C ATOM 1337 O MET A 84 0.011 0.360 8.138 1.00 0.00 O ATOM 1338 CB MET A 84 2.456 2.643 8.003 1.00 0.00 C ATOM 1339 CG MET A 84 3.616 2.138 7.160 1.00 0.00 C ATOM 1340 SD MET A 84 5.110 1.908 8.129 1.00 0.00 S ATOM 1341 CE MET A 84 5.322 3.603 8.721 1.00 0.00 C ATOM 0 H MET A 84 0.862 4.336 7.383 1.00 0.00 H new ATOM 0 HA MET A 84 1.273 1.706 6.462 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.539 3.722 8.131 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.506 2.200 8.997 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.339 1.193 6.693 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.813 2.846 6.355 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.231 3.668 9.320 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.399 4.279 7.869 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.464 3.885 9.332 1.00 0.00 H new ATOM 1351 N SER A 85 -0.157 2.208 9.429 1.00 0.00 N ATOM 1352 CA SER A 85 -1.033 1.609 10.418 1.00 0.00 C ATOM 1353 C SER A 85 -2.476 1.555 9.916 1.00 0.00 C ATOM 1354 O SER A 85 -3.399 1.167 10.631 1.00 0.00 O ATOM 1355 CB SER A 85 -0.976 2.393 11.724 1.00 0.00 C ATOM 1356 OG SER A 85 -1.625 1.652 12.758 1.00 0.00 O ATOM 0 H SER A 85 0.089 3.178 9.625 1.00 0.00 H new ATOM 0 HA SER A 85 -0.687 0.590 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.061 2.587 11.998 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.459 3.362 11.599 1.00 0.00 H new ATOM 0 HG SER A 85 -2.493 1.331 12.435 1.00 0.00 H new ATOM 1362 N MET A 86 -2.698 1.871 8.649 1.00 0.00 N ATOM 1363 CA MET A 86 -4.004 1.837 8.053 1.00 0.00 C ATOM 1364 C MET A 86 -4.059 0.837 6.914 1.00 0.00 C ATOM 1365 O MET A 86 -4.968 0.023 6.843 1.00 0.00 O ATOM 1366 CB MET A 86 -4.356 3.211 7.535 1.00 0.00 C ATOM 1367 CG MET A 86 -4.578 4.213 8.657 1.00 0.00 C ATOM 1368 SD MET A 86 -6.009 3.764 9.644 1.00 0.00 S ATOM 1369 CE MET A 86 -5.274 3.882 11.278 1.00 0.00 C ATOM 0 H MET A 86 -1.960 2.160 8.007 1.00 0.00 H new ATOM 0 HA MET A 86 -4.721 1.530 8.814 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.556 3.568 6.886 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.257 3.147 6.925 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.693 4.256 9.292 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.719 5.209 8.238 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.031 4.200 11.995 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.882 2.908 11.572 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.462 4.609 11.260 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.005 0.748 6.129 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.855 -0.188 5.055 1.00 0.00 C ATOM 1381 C ALA A 87 -2.321 -1.511 5.580 1.00 0.00 C ATOM 1382 O ALA A 87 -1.867 -2.346 4.814 1.00 0.00 O ATOM 1383 CB ALA A 87 -1.938 0.398 3.973 1.00 0.00 C ATOM 0 H ALA A 87 -2.196 1.360 6.235 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.829 -0.378 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.829 -0.320 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.373 1.320 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.959 0.611 4.402 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.315 -1.691 6.895 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.901 -2.921 7.508 1.00 0.00 C ATOM 1391 C HIS A 88 -3.108 -3.714 7.966 1.00 0.00 C ATOM 1392 O HIS A 88 -3.011 -4.919 8.082 1.00 0.00 O ATOM 1393 CB HIS A 88 -0.943 -2.636 8.660 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.598 -2.207 9.976 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -1.158 -2.602 11.212 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -2.702 -1.415 10.133 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -1.984 -2.039 12.119 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -2.932 -1.330 11.486 1.00 0.00 N ATOM 0 H HIS A 88 -2.602 -0.974 7.561 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.369 -3.527 6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.350 -3.532 8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.251 -1.854 8.348 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.279 -0.948 9.349 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.896 -2.143 13.190 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.692 -0.817 11.932 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.220 -3.043 8.253 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.461 -3.661 8.656 1.00 0.00 C ATOM 1409 C ASN A 89 -6.509 -3.539 7.568 1.00 0.00 C ATOM 1410 O ASN A 89 -7.436 -4.335 7.528 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.009 -2.987 9.910 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.453 -3.632 11.161 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -6.112 -3.805 12.161 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -4.180 -3.965 11.138 1.00 0.00 N ATOM 0 H ASN A 89 -4.275 -2.025 8.208 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.249 -4.713 8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.753 -1.927 9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.097 -3.052 9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.744 -4.371 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.629 -3.817 10.292 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.320 -2.593 6.648 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.165 -2.455 5.494 1.00 0.00 C ATOM 1423 C LEU A 90 -7.110 -3.700 4.595 1.00 0.00 C ATOM 1424 O LEU A 90 -8.152 -4.228 4.206 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.791 -1.191 4.709 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.494 0.073 5.201 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.053 1.255 4.344 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.005 -0.100 5.173 1.00 0.00 C ATOM 0 H LEU A 90 -5.569 -1.905 6.696 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.193 -2.357 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.713 -1.043 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.033 -1.343 3.657 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.214 0.264 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.551 2.161 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.973 1.381 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.319 1.069 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.482 0.813 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.329 -0.306 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.288 -0.932 5.818 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.901 -4.179 4.266 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.746 -5.363 3.456 1.00 0.00 C ATOM 1442 C PRO A 91 -6.037 -6.606 4.297 1.00 0.00 C ATOM 1443 O PRO A 91 -6.489 -7.601 3.764 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.306 -5.367 2.974 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.567 -4.438 3.914 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.607 -3.671 4.675 1.00 0.00 C ATOM 0 HA PRO A 91 -6.437 -5.368 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.885 -6.372 3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.235 -5.021 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.930 -5.003 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.918 -3.761 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.467 -3.795 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.529 -2.604 4.465 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.839 -6.576 5.608 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.165 -7.707 6.450 1.00 0.00 C ATOM 1456 C ILE A 92 -7.667 -7.905 6.545 1.00 0.00 C ATOM 1457 O ILE A 92 -8.118 -9.042 6.424 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.548 -7.489 7.822 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.078 -7.897 7.806 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.348 -8.196 8.917 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.597 -8.489 9.127 1.00 0.00 C ATOM 0 H ILE A 92 -5.453 -5.775 6.108 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.755 -8.617 6.011 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.590 -6.427 8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.920 -8.626 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.470 -7.025 7.565 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.877 -8.018 9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.366 -7.808 8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.371 -9.267 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.544 -8.757 9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.723 -7.754 9.922 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.180 -9.380 9.360 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.414 -6.826 6.745 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.868 -6.893 6.822 1.00 0.00 C ATOM 1475 C GLU A 93 -10.473 -7.370 5.512 1.00 0.00 C ATOM 1476 O GLU A 93 -11.618 -7.811 5.460 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.446 -5.511 7.181 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.502 -5.312 8.703 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.939 -5.061 9.164 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.682 -6.059 9.291 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.288 -3.871 9.335 1.00 0.00 O ATOM 0 H GLU A 93 -8.033 -5.887 6.858 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.124 -7.612 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.833 -4.730 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.447 -5.412 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.103 -6.193 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.871 -4.470 8.988 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.693 -7.298 4.435 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.089 -7.837 3.167 1.00 0.00 C ATOM 1490 C CYS A 94 -9.609 -9.262 2.971 1.00 0.00 C ATOM 1491 O CYS A 94 -10.038 -9.893 2.003 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.564 -6.944 2.045 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.694 -5.632 1.543 1.00 0.00 S ATOM 0 H CYS A 94 -8.771 -6.861 4.433 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.178 -7.861 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.624 -6.494 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.340 -7.565 1.178 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.722 -9.755 3.850 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.131 -11.077 3.831 1.00 0.00 C ATOM 1500 C ASN A 95 -6.942 -11.108 2.854 1.00 0.00 C ATOM 1501 O ASN A 95 -6.613 -12.119 2.242 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.202 -12.109 3.422 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.907 -13.471 3.999 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.722 -14.056 4.703 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.727 -14.002 3.728 1.00 0.00 N ATOM 0 H ASN A 95 -8.387 -9.197 4.635 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.761 -11.328 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.181 -11.773 3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.248 -12.176 2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.480 -14.916 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.064 -13.498 3.140 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.350 -9.957 2.602 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.262 -9.826 1.688 1.00 0.00 C ATOM 1514 C LEU A 96 -4.011 -10.314 2.387 1.00 0.00 C ATOM 1515 O LEU A 96 -3.434 -11.309 1.982 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.156 -8.419 1.134 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.490 -7.807 0.696 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.279 -6.402 0.184 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.222 -8.673 -0.315 1.00 0.00 C ATOM 0 H LEU A 96 -6.626 -9.079 3.041 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.423 -10.443 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.707 -7.777 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.477 -8.428 0.281 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.135 -7.759 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.235 -5.979 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.848 -5.787 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.601 -6.424 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.161 -8.194 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.602 -8.798 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.429 -9.649 0.124 1.00 0.00 H new ATOM 1531 N MET A 97 -3.675 -9.675 3.499 1.00 0.00 N ATOM 1532 CA MET A 97 -2.502 -10.028 4.265 1.00 0.00 C ATOM 1533 C MET A 97 -2.829 -10.397 5.681 1.00 0.00 C ATOM 1534 O MET A 97 -1.966 -10.240 6.546 1.00 0.00 O ATOM 1535 CB MET A 97 -1.492 -8.877 4.213 1.00 0.00 C ATOM 1536 CG MET A 97 -1.940 -7.691 5.063 1.00 0.00 C ATOM 1537 SD MET A 97 -0.678 -6.430 5.223 1.00 0.00 S ATOM 1538 CE MET A 97 -0.102 -6.781 6.887 1.00 0.00 C ATOM 0 H MET A 97 -4.211 -8.900 3.890 1.00 0.00 H new ATOM 0 HA MET A 97 -2.062 -10.917 3.814 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.522 -9.229 4.563 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.361 -8.555 3.180 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.833 -7.250 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.219 -8.046 6.055 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.692 -6.083 7.152 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.929 -6.673 7.589 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.281 -7.800 6.932 1.00 0.00 H new ATOM 1548 N SER A 98 -4.070 -10.838 5.926 1.00 0.00 N ATOM 1549 CA SER A 98 -4.561 -11.199 7.256 1.00 0.00 C ATOM 1550 C SER A 98 -3.466 -11.810 8.144 1.00 0.00 C ATOM 1551 O SER A 98 -2.923 -11.202 9.064 1.00 0.00 O ATOM 1552 CB SER A 98 -5.748 -12.148 7.185 1.00 0.00 C ATOM 1553 OG SER A 98 -5.452 -13.224 6.299 1.00 0.00 O ATOM 0 H SER A 98 -4.769 -10.955 5.192 1.00 0.00 H new ATOM 0 HA SER A 98 -4.885 -10.264 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.976 -12.535 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.633 -11.613 6.840 1.00 0.00 H new ATOM 0 HG SER A 98 -6.218 -13.834 6.257 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.069 -13.020 7.821 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.932 -13.624 8.450 1.00 0.00 C ATOM 1561 C GLN A 99 -1.335 -14.725 7.570 1.00 0.00 C ATOM 1562 O GLN A 99 -1.225 -15.878 7.990 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.406 -14.123 9.819 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.437 -13.673 10.908 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.274 -14.773 11.935 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -1.612 -14.637 13.098 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -0.762 -15.912 11.515 1.00 0.00 N ATOM 0 H GLN A 99 -3.525 -13.604 7.120 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.118 -12.912 8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.404 -13.739 10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.478 -15.211 9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.470 -13.427 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.809 -12.767 11.387 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.482 -16.016 10.540 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.646 -16.689 12.165 1.00 0.00 H new ATOM 1576 N PRO A 100 -1.006 -14.397 6.304 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.478 -15.377 5.371 1.00 0.00 C ATOM 1578 C PRO A 100 0.974 -15.676 5.722 1.00 0.00 C ATOM 1579 O PRO A 100 1.292 -16.794 6.095 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.593 -14.748 3.993 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.770 -13.252 4.229 1.00 0.00 C ATOM 1582 CD PRO A 100 -1.070 -13.071 5.699 1.00 0.00 C ATOM 0 HA PRO A 100 -1.022 -16.321 5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.298 -14.947 3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.441 -15.160 3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.132 -12.708 3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.582 -12.858 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.348 -12.399 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.055 -12.627 5.842 1.00 0.00 H new ATOM 1590 N CYS A 101 1.891 -14.717 5.542 1.00 0.00 N ATOM 1591 CA CYS A 101 3.287 -14.918 5.848 1.00 0.00 C ATOM 1592 C CYS A 101 3.458 -14.900 7.358 1.00 0.00 C ATOM 1593 O CYS A 101 3.003 -13.963 8.018 1.00 0.00 O ATOM 1594 CB CYS A 101 4.127 -13.848 5.159 1.00 0.00 C ATOM 1595 SG CYS A 101 3.469 -13.257 3.546 1.00 0.00 S ATOM 0 H CYS A 101 1.673 -13.788 5.181 1.00 0.00 H new ATOM 0 HA CYS A 101 3.631 -15.883 5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.221 -12.994 5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.131 -14.242 5.002 1.00 0.00 H new ATOM 1600 N GLN A 102 4.078 -15.943 7.897 1.00 0.00 N ATOM 1601 CA GLN A 102 4.322 -16.061 9.325 1.00 0.00 C ATOM 1602 C GLN A 102 5.800 -16.268 9.581 1.00 0.00 C ATOM 1603 O GLN A 102 6.591 -16.225 8.634 1.00 0.00 O ATOM 1604 CB GLN A 102 3.474 -17.189 9.916 1.00 0.00 C ATOM 1605 CG GLN A 102 1.979 -16.916 9.720 1.00 0.00 C ATOM 1606 CD GLN A 102 1.261 -18.139 9.167 1.00 0.00 C ATOM 1607 OE1 GLN A 102 1.540 -18.654 8.103 1.00 0.00 O ATOM 1608 NE2 GLN A 102 0.349 -18.683 9.940 1.00 0.00 N ATOM 0 H GLN A 102 4.426 -16.732 7.352 1.00 0.00 H new ATOM 0 HA GLN A 102 4.026 -15.137 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.739 -18.134 9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.692 -17.293 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.532 -16.629 10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.847 -16.075 9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.114 -18.251 10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.124 -19.537 9.647 1.00 0.00 H new ATOM 1617 N MET A 103 6.153 -16.422 10.858 1.00 0.00 N ATOM 1618 CA MET A 103 7.523 -16.706 11.253 1.00 0.00 C ATOM 1619 C MET A 103 8.180 -17.799 10.402 1.00 0.00 C ATOM 1620 O MET A 103 9.394 -17.642 10.151 1.00 0.00 O ATOM 1621 CB MET A 103 7.538 -17.089 12.744 1.00 0.00 C ATOM 1622 CG MET A 103 8.415 -16.145 13.565 1.00 0.00 C ATOM 1623 SD MET A 103 8.570 -16.720 15.265 1.00 0.00 S ATOM 1624 CE MET A 103 10.333 -16.470 15.500 1.00 0.00 C ATOM 1625 OXT MET A 103 7.471 -18.756 10.056 1.00 0.00 O ATOM 0 H MET A 103 5.499 -16.353 11.638 1.00 0.00 H new ATOM 0 HA MET A 103 8.115 -15.806 11.087 1.00 0.00 H new ATOM 0 HB2 MET A 103 6.520 -17.071 13.134 1.00 0.00 H new ATOM 0 HB3 MET A 103 7.903 -18.110 12.853 1.00 0.00 H new ATOM 0 HG2 MET A 103 9.403 -16.074 13.110 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.986 -15.143 13.554 1.00 0.00 H new ATOM 0 HE1 MET A 103 10.613 -16.776 16.508 1.00 0.00 H new ATOM 0 HE2 MET A 103 10.885 -17.067 14.774 1.00 0.00 H new ATOM 0 HE3 MET A 103 10.573 -15.416 15.361 1.00 0.00 H new TER 1635 MET A 103