USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -151:sc= 1.39 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.48! C(o=-1.1!,f=-2.3!) USER MOD Set 2.1: A 69 THR OG1 : rot -63:sc= 0.109 USER MOD Set 2.2: A 71 SER OG : rot 147:sc= 0.237 USER MOD Set 2.3: A 73 GLN : amide:sc= 0.202 X(o=0.55,f=0.73) USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= 0.0998 USER MOD Set 3.2: A 38 GLN : amide:sc= -0.0367 X(o=0.063,f=-0.023) USER MOD Single : A 1 SER N :NH3+ 149:sc= 0.373 (180deg=0.00887) USER MOD Single : A 1 SER OG : rot 180:sc= 0.152 USER MOD Single : A 4 THR OG1 : rot -54:sc= 0.76 USER MOD Single : A 5 SER OG : rot 180:sc= -0.369 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.104 F(o=-0.82,f=-0.1) USER MOD Single : A 15 ASN : amide:sc= -0.226 K(o=-0.23,f=-3.9!) USER MOD Single : A 19 SER OG : rot -65:sc= -1.03! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -16:sc= -1.67 USER MOD Single : A 26 THR OG1 : rot -21:sc= 0.695 USER MOD Single : A 28 THR OG1 : rot -100:sc= 0.495 USER MOD Single : A 40 MET CE :methyl -167:sc= -4.08! (180deg=-4.15!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-4.2!) USER MOD Single : A 80 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.84) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 90 GLN : amide:sc= -2.61! C(o=-2.6!,f=-7.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -65:sc= 0.302 USER MOD Single : A 104 ASN : amide:sc= -2.02 X(o=-2,f=-1.8!) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0656 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.576 -0.208 0.047 1.00 0.00 N ATOM 2 CA SER A 1 -22.379 -1.457 0.171 1.00 0.00 C ATOM 3 C SER A 1 -22.061 -2.138 1.503 1.00 0.00 C ATOM 4 O SER A 1 -20.919 -2.415 1.808 1.00 0.00 O ATOM 5 CB SER A 1 -22.035 -2.404 -0.979 1.00 0.00 C ATOM 6 OG SER A 1 -21.643 -1.643 -2.114 1.00 0.00 O ATOM 0 H1 SER A 1 -21.363 -0.030 -0.955 1.00 0.00 H new ATOM 0 H2 SER A 1 -22.116 0.592 0.434 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.687 -0.313 0.576 1.00 0.00 H new ATOM 0 HA SER A 1 -23.440 -1.210 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.230 -3.077 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.896 -3.025 -1.224 1.00 0.00 H new ATOM 0 HG SER A 1 -21.420 -2.248 -2.852 1.00 0.00 H new ATOM 14 N VAL A 2 -23.070 -2.407 2.294 1.00 0.00 N ATOM 15 CA VAL A 2 -22.852 -3.072 3.616 1.00 0.00 C ATOM 16 C VAL A 2 -22.473 -2.019 4.664 1.00 0.00 C ATOM 17 O VAL A 2 -23.165 -1.836 5.646 1.00 0.00 O ATOM 18 CB VAL A 2 -21.736 -4.116 3.501 1.00 0.00 C ATOM 19 CG1 VAL A 2 -21.831 -5.094 4.674 1.00 0.00 C ATOM 20 CG2 VAL A 2 -21.890 -4.884 2.186 1.00 0.00 C ATOM 0 H VAL A 2 -24.044 -2.192 2.078 1.00 0.00 H new ATOM 0 HA VAL A 2 -23.772 -3.571 3.921 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.767 -3.616 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.038 -5.837 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -21.724 -4.549 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.800 -5.594 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.097 -5.627 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.858 -5.384 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.825 -4.189 1.349 1.00 0.00 H new ATOM 30 N GLY A 3 -21.387 -1.324 4.465 1.00 0.00 N ATOM 31 CA GLY A 3 -20.979 -0.286 5.454 1.00 0.00 C ATOM 32 C GLY A 3 -19.583 -0.604 5.992 1.00 0.00 C ATOM 33 O GLY A 3 -18.597 -0.050 5.553 1.00 0.00 O ATOM 0 H GLY A 3 -20.766 -1.429 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.983 0.698 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.696 -0.251 6.274 1.00 0.00 H new ATOM 37 N THR A 4 -19.493 -1.494 6.944 1.00 0.00 N ATOM 38 CA THR A 4 -18.160 -1.846 7.512 1.00 0.00 C ATOM 39 C THR A 4 -17.550 -2.995 6.708 1.00 0.00 C ATOM 40 O THR A 4 -16.929 -3.884 7.253 1.00 0.00 O ATOM 41 CB THR A 4 -18.324 -2.281 8.970 1.00 0.00 C ATOM 42 OG1 THR A 4 -17.043 -2.533 9.534 1.00 0.00 O ATOM 43 CG2 THR A 4 -19.169 -3.554 9.030 1.00 0.00 C ATOM 0 H THR A 4 -20.284 -1.992 7.352 1.00 0.00 H new ATOM 0 HA THR A 4 -17.505 -0.976 7.462 1.00 0.00 H new ATOM 0 HB THR A 4 -18.820 -1.491 9.533 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.558 -3.172 8.971 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.286 -3.864 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.150 -3.360 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.674 -4.346 8.468 1.00 0.00 H new ATOM 51 N SER A 5 -17.725 -2.986 5.416 1.00 0.00 N ATOM 52 CA SER A 5 -17.156 -4.080 4.583 1.00 0.00 C ATOM 53 C SER A 5 -15.704 -4.334 4.998 1.00 0.00 C ATOM 54 O SER A 5 -15.092 -3.528 5.672 1.00 0.00 O ATOM 55 CB SER A 5 -17.199 -3.674 3.110 1.00 0.00 C ATOM 56 OG SER A 5 -18.527 -3.297 2.766 1.00 0.00 O ATOM 0 H SER A 5 -18.237 -2.269 4.902 1.00 0.00 H new ATOM 0 HA SER A 5 -17.741 -4.988 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.515 -2.845 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.869 -4.502 2.483 1.00 0.00 H new ATOM 0 HG SER A 5 -18.558 -3.034 1.822 1.00 0.00 H new ATOM 62 N CYS A 6 -15.144 -5.445 4.600 1.00 0.00 N ATOM 63 CA CYS A 6 -13.731 -5.742 4.970 1.00 0.00 C ATOM 64 C CYS A 6 -13.586 -5.771 6.494 1.00 0.00 C ATOM 65 O CYS A 6 -13.657 -4.754 7.151 1.00 0.00 O ATOM 66 CB CYS A 6 -12.816 -4.659 4.400 1.00 0.00 C ATOM 67 SG CYS A 6 -12.976 -4.617 2.599 1.00 0.00 S ATOM 0 H CYS A 6 -15.604 -6.159 4.035 1.00 0.00 H new ATOM 0 HA CYS A 6 -13.453 -6.713 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -13.078 -3.688 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.781 -4.859 4.679 1.00 0.00 H new ATOM 72 N ILE A 7 -13.371 -6.929 7.055 1.00 0.00 N ATOM 73 CA ILE A 7 -13.204 -7.023 8.535 1.00 0.00 C ATOM 74 C ILE A 7 -11.702 -7.072 8.845 1.00 0.00 C ATOM 75 O ILE A 7 -10.913 -7.419 7.989 1.00 0.00 O ATOM 76 CB ILE A 7 -13.889 -8.294 9.070 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.765 -8.930 7.983 1.00 0.00 C ATOM 78 CG2 ILE A 7 -14.774 -7.931 10.265 1.00 0.00 C ATOM 79 CD1 ILE A 7 -13.929 -9.912 7.161 1.00 0.00 C ATOM 0 H ILE A 7 -13.304 -7.815 6.554 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.663 -6.159 9.016 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.118 -9.003 9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.609 -9.448 8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -15.177 -8.157 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.260 -8.830 10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.161 -7.490 11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -15.533 -7.214 9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -14.552 -10.363 6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -13.100 -9.381 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -13.538 -10.692 7.814 1.00 0.00 H new ATOM 91 N PRO A 8 -11.347 -6.709 10.051 1.00 0.00 N ATOM 92 CA PRO A 8 -9.939 -6.690 10.484 1.00 0.00 C ATOM 93 C PRO A 8 -9.452 -8.110 10.811 1.00 0.00 C ATOM 94 O PRO A 8 -10.236 -8.986 11.117 1.00 0.00 O ATOM 95 CB PRO A 8 -9.962 -5.815 11.741 1.00 0.00 C ATOM 96 CG PRO A 8 -11.415 -5.854 12.271 1.00 0.00 C ATOM 97 CD PRO A 8 -12.306 -6.290 11.093 1.00 0.00 C ATOM 0 HA PRO A 8 -9.262 -6.311 9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.265 -6.192 12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.660 -4.794 11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.505 -6.553 13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.717 -4.875 12.643 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.969 -7.107 11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.938 -5.472 10.747 1.00 0.00 H new ATOM 105 N GLY A 9 -8.164 -8.347 10.747 1.00 0.00 N ATOM 106 CA GLY A 9 -7.635 -9.708 11.054 1.00 0.00 C ATOM 107 C GLY A 9 -8.170 -10.712 10.026 1.00 0.00 C ATOM 108 O GLY A 9 -8.022 -11.908 10.177 1.00 0.00 O ATOM 0 H GLY A 9 -7.458 -7.655 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.545 -9.698 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.933 -10.007 12.059 1.00 0.00 H new ATOM 112 N MET A 10 -8.788 -10.231 8.982 1.00 0.00 N ATOM 113 CA MET A 10 -9.332 -11.146 7.937 1.00 0.00 C ATOM 114 C MET A 10 -9.005 -10.561 6.545 1.00 0.00 C ATOM 115 O MET A 10 -9.621 -9.597 6.138 1.00 0.00 O ATOM 116 CB MET A 10 -10.852 -11.238 8.097 1.00 0.00 C ATOM 117 CG MET A 10 -11.185 -11.838 9.466 1.00 0.00 C ATOM 118 SD MET A 10 -11.997 -13.440 9.241 1.00 0.00 S ATOM 119 CE MET A 10 -10.881 -14.410 10.287 1.00 0.00 C ATOM 0 H MET A 10 -8.941 -9.238 8.807 1.00 0.00 H new ATOM 0 HA MET A 10 -8.889 -12.137 8.039 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.299 -10.248 8.003 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.275 -11.855 7.305 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.275 -11.959 10.053 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.836 -11.163 10.022 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.202 -15.452 10.293 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.866 -14.345 9.895 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.903 -14.018 11.304 1.00 0.00 H new ATOM 129 N ALA A 11 -8.034 -11.101 5.820 1.00 0.00 N ATOM 130 CA ALA A 11 -7.677 -10.535 4.480 1.00 0.00 C ATOM 131 C ALA A 11 -6.674 -9.401 4.693 1.00 0.00 C ATOM 132 O ALA A 11 -5.558 -9.450 4.221 1.00 0.00 O ATOM 133 CB ALA A 11 -8.926 -10.003 3.770 1.00 0.00 C ATOM 0 H ALA A 11 -7.480 -11.908 6.107 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.241 -11.314 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.647 -9.596 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.640 -10.815 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.382 -9.219 4.374 1.00 0.00 H new ATOM 139 N ILE A 12 -7.060 -8.397 5.429 1.00 0.00 N ATOM 140 CA ILE A 12 -6.135 -7.269 5.719 1.00 0.00 C ATOM 141 C ILE A 12 -5.604 -7.461 7.151 1.00 0.00 C ATOM 142 O ILE A 12 -6.325 -7.210 8.096 1.00 0.00 O ATOM 143 CB ILE A 12 -6.903 -5.948 5.631 1.00 0.00 C ATOM 144 CG1 ILE A 12 -7.274 -5.669 4.171 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.027 -4.812 6.161 1.00 0.00 C ATOM 146 CD1 ILE A 12 -8.719 -5.170 4.096 1.00 0.00 C ATOM 0 H ILE A 12 -7.987 -8.310 5.846 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.313 -7.248 5.004 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.811 -6.015 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.599 -4.924 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.160 -6.575 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.574 -3.871 6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.764 -5.010 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.118 -4.744 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.982 -4.972 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.388 -5.930 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.818 -4.253 4.677 1.00 0.00 H new ATOM 158 N PRO A 13 -4.389 -7.955 7.294 1.00 0.00 N ATOM 159 CA PRO A 13 -3.823 -8.237 8.622 1.00 0.00 C ATOM 160 C PRO A 13 -3.244 -6.981 9.275 1.00 0.00 C ATOM 161 O PRO A 13 -3.173 -5.924 8.679 1.00 0.00 O ATOM 162 CB PRO A 13 -2.728 -9.265 8.334 1.00 0.00 C ATOM 163 CG PRO A 13 -2.348 -9.101 6.843 1.00 0.00 C ATOM 164 CD PRO A 13 -3.465 -8.270 6.180 1.00 0.00 C ATOM 0 HA PRO A 13 -4.574 -8.598 9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.862 -9.099 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.083 -10.276 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.385 -8.601 6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.253 -10.074 6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.069 -7.364 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.967 -8.832 5.393 1.00 0.00 H new ATOM 172 N HIS A 14 -2.840 -7.104 10.508 1.00 0.00 N ATOM 173 CA HIS A 14 -2.273 -5.955 11.247 1.00 0.00 C ATOM 174 C HIS A 14 -0.844 -5.676 10.745 1.00 0.00 C ATOM 175 O HIS A 14 -0.149 -6.577 10.318 1.00 0.00 O ATOM 176 CB HIS A 14 -2.262 -6.340 12.727 1.00 0.00 C ATOM 177 CG HIS A 14 -3.654 -6.736 13.136 1.00 0.00 C ATOM 178 ND1 HIS A 14 -4.369 -7.893 12.953 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -4.497 -5.876 13.822 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -5.634 -7.758 13.513 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -5.660 -6.524 14.023 1.00 0.00 N flip ATOM 0 H HIS A 14 -2.882 -7.973 11.041 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.862 -5.050 11.095 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.570 -7.165 12.897 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.915 -5.502 13.332 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.264 -4.870 14.138 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.425 -8.493 13.532 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.463 -6.121 14.506 1.00 0.00 H new ATOM 189 N ASN A 15 -0.400 -4.440 10.776 1.00 0.00 N ATOM 190 CA ASN A 15 0.971 -4.131 10.283 1.00 0.00 C ATOM 191 C ASN A 15 1.137 -4.632 8.842 1.00 0.00 C ATOM 192 O ASN A 15 2.088 -5.324 8.538 1.00 0.00 O ATOM 193 CB ASN A 15 2.001 -4.815 11.183 1.00 0.00 C ATOM 194 CG ASN A 15 3.166 -3.859 11.441 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.965 -2.679 11.649 1.00 0.00 O ATOM 196 ND2 ASN A 15 4.386 -4.322 11.439 1.00 0.00 N ATOM 0 H ASN A 15 -0.929 -3.639 11.121 1.00 0.00 H new ATOM 0 HA ASN A 15 1.124 -3.052 10.304 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.539 -5.106 12.127 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.363 -5.728 10.711 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.170 -3.693 11.612 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.555 -5.313 11.264 1.00 0.00 H new ATOM 203 N PRO A 16 0.205 -4.265 7.993 1.00 0.00 N ATOM 204 CA PRO A 16 0.227 -4.662 6.571 1.00 0.00 C ATOM 205 C PRO A 16 1.205 -3.794 5.770 1.00 0.00 C ATOM 206 O PRO A 16 1.905 -2.960 6.308 1.00 0.00 O ATOM 207 CB PRO A 16 -1.203 -4.387 6.102 1.00 0.00 C ATOM 208 CG PRO A 16 -1.780 -3.328 7.072 1.00 0.00 C ATOM 209 CD PRO A 16 -0.958 -3.430 8.367 1.00 0.00 C ATOM 0 HA PRO A 16 0.545 -5.696 6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.212 -4.021 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.801 -5.298 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.707 -2.328 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.836 -3.515 7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.646 -2.447 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.535 -3.888 9.170 1.00 0.00 H new ATOM 217 N LEU A 17 1.230 -3.981 4.479 1.00 0.00 N ATOM 218 CA LEU A 17 2.127 -3.170 3.602 1.00 0.00 C ATOM 219 C LEU A 17 3.546 -3.104 4.177 1.00 0.00 C ATOM 220 O LEU A 17 4.182 -2.070 4.150 1.00 0.00 O ATOM 221 CB LEU A 17 1.563 -1.751 3.479 1.00 0.00 C ATOM 222 CG LEU A 17 0.440 -1.735 2.440 1.00 0.00 C ATOM 223 CD1 LEU A 17 1.011 -2.078 1.064 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.622 -2.769 2.820 1.00 0.00 C ATOM 0 H LEU A 17 0.661 -4.669 3.987 1.00 0.00 H new ATOM 0 HA LEU A 17 2.174 -3.644 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.184 -1.414 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.353 -1.059 3.187 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.010 -0.743 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.210 -2.066 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.768 -1.343 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.462 -3.070 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.422 -2.758 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.170 -3.760 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.031 -2.527 3.801 1.00 0.00 H new ATOM 236 N ASP A 18 4.056 -4.194 4.679 1.00 0.00 N ATOM 237 CA ASP A 18 5.445 -4.167 5.229 1.00 0.00 C ATOM 238 C ASP A 18 6.443 -4.312 4.078 1.00 0.00 C ATOM 239 O ASP A 18 7.404 -3.567 3.964 1.00 0.00 O ATOM 240 CB ASP A 18 5.631 -5.313 6.231 1.00 0.00 C ATOM 241 CG ASP A 18 5.761 -6.640 5.483 1.00 0.00 C ATOM 242 OD1 ASP A 18 6.850 -6.930 5.014 1.00 0.00 O ATOM 243 OD2 ASP A 18 4.770 -7.346 5.395 1.00 0.00 O ATOM 0 H ASP A 18 3.579 -5.094 4.733 1.00 0.00 H new ATOM 0 HA ASP A 18 5.617 -3.221 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.520 -5.138 6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.783 -5.352 6.914 1.00 0.00 H new ATOM 248 N SER A 19 6.208 -5.257 3.213 1.00 0.00 N ATOM 249 CA SER A 19 7.117 -5.459 2.054 1.00 0.00 C ATOM 250 C SER A 19 7.120 -4.186 1.211 1.00 0.00 C ATOM 251 O SER A 19 8.073 -3.885 0.521 1.00 0.00 O ATOM 252 CB SER A 19 6.617 -6.633 1.212 1.00 0.00 C ATOM 253 OG SER A 19 7.716 -7.467 0.869 1.00 0.00 O ATOM 0 H SER A 19 5.419 -5.902 3.260 1.00 0.00 H new ATOM 0 HA SER A 19 8.127 -5.676 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.873 -7.203 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.129 -6.266 0.309 1.00 0.00 H new ATOM 0 HG SER A 19 8.332 -6.974 0.288 1.00 0.00 H new ATOM 259 N CYS A 20 6.054 -3.436 1.269 1.00 0.00 N ATOM 260 CA CYS A 20 5.980 -2.176 0.484 1.00 0.00 C ATOM 261 C CYS A 20 6.855 -1.116 1.156 1.00 0.00 C ATOM 262 O CYS A 20 7.475 -0.299 0.500 1.00 0.00 O ATOM 263 CB CYS A 20 4.527 -1.704 0.425 1.00 0.00 C ATOM 264 SG CYS A 20 3.518 -2.964 -0.406 1.00 0.00 S ATOM 0 H CYS A 20 5.228 -3.645 1.830 1.00 0.00 H new ATOM 0 HA CYS A 20 6.339 -2.344 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.150 -1.526 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.462 -0.758 -0.112 1.00 0.00 H new ATOM 269 N ARG A 21 6.920 -1.132 2.461 1.00 0.00 N ATOM 270 CA ARG A 21 7.762 -0.135 3.173 1.00 0.00 C ATOM 271 C ARG A 21 9.243 -0.411 2.849 1.00 0.00 C ATOM 272 O ARG A 21 9.987 0.481 2.464 1.00 0.00 O ATOM 273 CB ARG A 21 7.476 -0.221 4.691 1.00 0.00 C ATOM 274 CG ARG A 21 8.770 -0.359 5.506 1.00 0.00 C ATOM 275 CD ARG A 21 9.550 0.955 5.456 1.00 0.00 C ATOM 276 NE ARG A 21 10.595 0.949 6.517 1.00 0.00 N ATOM 277 CZ ARG A 21 10.274 1.225 7.751 1.00 0.00 C ATOM 278 NH1 ARG A 21 10.283 2.460 8.166 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.942 0.263 8.569 1.00 0.00 N ATOM 0 H ARG A 21 6.426 -1.792 3.061 1.00 0.00 H new ATOM 0 HA ARG A 21 7.527 0.878 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.938 0.671 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.827 -1.074 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.535 -0.615 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.379 -1.170 5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.011 1.080 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.874 1.798 5.600 1.00 0.00 H new ATOM 0 HE ARG A 21 11.562 0.729 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.541 3.211 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.032 2.676 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.934 -0.703 8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.691 0.478 9.534 1.00 0.00 H new ATOM 293 N TRP A 22 9.682 -1.641 2.989 1.00 0.00 N ATOM 294 CA TRP A 22 11.113 -1.935 2.679 1.00 0.00 C ATOM 295 C TRP A 22 11.332 -1.862 1.168 1.00 0.00 C ATOM 296 O TRP A 22 12.418 -1.572 0.699 1.00 0.00 O ATOM 297 CB TRP A 22 11.531 -3.322 3.177 1.00 0.00 C ATOM 298 CG TRP A 22 11.791 -3.250 4.636 1.00 0.00 C ATOM 299 CD1 TRP A 22 11.182 -3.980 5.578 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.731 -2.405 5.315 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.689 -3.623 6.819 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.657 -2.644 6.700 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.625 -1.461 4.841 1.00 0.00 C ATOM 304 CZ2 TRP A 22 13.466 -1.946 7.600 1.00 0.00 C ATOM 305 CZ3 TRP A 22 14.448 -0.749 5.730 1.00 0.00 C ATOM 306 CH2 TRP A 22 14.367 -0.992 7.111 1.00 0.00 C ATOM 0 H TRP A 22 9.123 -2.436 3.298 1.00 0.00 H new ATOM 0 HA TRP A 22 11.723 -1.191 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.746 -4.049 2.969 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.425 -3.658 2.651 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.420 -4.725 5.401 1.00 0.00 H new ATOM 0 HE1 TRP A 22 11.387 -4.030 7.704 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.691 -1.270 3.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 13.397 -2.140 8.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 15.143 -0.014 5.351 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.999 -0.444 7.795 1.00 0.00 H new ATOM 317 N TYR A 23 10.310 -2.122 0.399 1.00 0.00 N ATOM 318 CA TYR A 23 10.472 -2.066 -1.079 1.00 0.00 C ATOM 319 C TYR A 23 10.732 -0.622 -1.502 1.00 0.00 C ATOM 320 O TYR A 23 11.491 -0.372 -2.416 1.00 0.00 O ATOM 321 CB TYR A 23 9.221 -2.610 -1.775 1.00 0.00 C ATOM 322 CG TYR A 23 9.455 -2.647 -3.267 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.600 -3.271 -3.777 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.530 -2.061 -4.139 1.00 0.00 C ATOM 325 CE1 TYR A 23 10.820 -3.309 -5.159 1.00 0.00 C ATOM 326 CE2 TYR A 23 8.751 -2.099 -5.522 1.00 0.00 C ATOM 327 CZ TYR A 23 9.896 -2.723 -6.032 1.00 0.00 C ATOM 328 OH TYR A 23 10.114 -2.761 -7.394 1.00 0.00 O ATOM 0 H TYR A 23 9.377 -2.369 0.728 1.00 0.00 H new ATOM 0 HA TYR A 23 11.319 -2.686 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.992 -3.610 -1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.361 -1.981 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.314 -3.723 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.647 -1.580 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.703 -3.791 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.038 -1.647 -6.195 1.00 0.00 H new ATOM 0 HH TYR A 23 9.377 -2.310 -7.856 1.00 0.00 H new ATOM 338 N VAL A 24 10.143 0.342 -0.838 1.00 0.00 N ATOM 339 CA VAL A 24 10.425 1.750 -1.227 1.00 0.00 C ATOM 340 C VAL A 24 11.813 2.109 -0.725 1.00 0.00 C ATOM 341 O VAL A 24 12.572 2.774 -1.396 1.00 0.00 O ATOM 342 CB VAL A 24 9.428 2.719 -0.601 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.890 4.152 -0.894 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.038 2.489 -1.200 1.00 0.00 C ATOM 0 H VAL A 24 9.494 0.216 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 24 10.349 1.831 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 24 9.377 2.558 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.187 4.858 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.880 4.310 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.932 4.308 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.328 3.183 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.074 2.654 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.721 1.466 -1.000 1.00 0.00 H new ATOM 354 N SER A 25 12.156 1.675 0.457 1.00 0.00 N ATOM 355 CA SER A 25 13.505 2.002 0.983 1.00 0.00 C ATOM 356 C SER A 25 14.568 1.530 -0.020 1.00 0.00 C ATOM 357 O SER A 25 15.583 2.170 -0.213 1.00 0.00 O ATOM 358 CB SER A 25 13.726 1.290 2.312 1.00 0.00 C ATOM 359 OG SER A 25 13.536 -0.104 2.124 1.00 0.00 O ATOM 0 H SER A 25 11.566 1.115 1.073 1.00 0.00 H new ATOM 0 HA SER A 25 13.583 3.079 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.732 1.487 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.031 1.667 3.062 1.00 0.00 H new ATOM 0 HG SER A 25 13.074 -0.259 1.274 1.00 0.00 H new ATOM 365 N THR A 26 14.346 0.397 -0.645 1.00 0.00 N ATOM 366 CA THR A 26 15.348 -0.144 -1.621 1.00 0.00 C ATOM 367 C THR A 26 15.261 0.579 -2.977 1.00 0.00 C ATOM 368 O THR A 26 16.243 1.079 -3.483 1.00 0.00 O ATOM 369 CB THR A 26 15.094 -1.646 -1.819 1.00 0.00 C ATOM 370 OG1 THR A 26 15.591 -2.358 -0.693 1.00 0.00 O ATOM 371 CG2 THR A 26 15.800 -2.142 -3.085 1.00 0.00 C ATOM 0 H THR A 26 13.512 -0.178 -0.521 1.00 0.00 H new ATOM 0 HA THR A 26 16.347 0.021 -1.218 1.00 0.00 H new ATOM 0 HB THR A 26 14.022 -1.814 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.256 -1.810 -0.227 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.611 -3.208 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.419 -1.600 -3.950 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.873 -1.972 -2.994 1.00 0.00 H new ATOM 379 N ARG A 27 14.108 0.611 -3.584 1.00 0.00 N ATOM 380 CA ARG A 27 13.981 1.277 -4.917 1.00 0.00 C ATOM 381 C ARG A 27 14.404 2.746 -4.822 1.00 0.00 C ATOM 382 O ARG A 27 14.775 3.358 -5.804 1.00 0.00 O ATOM 383 CB ARG A 27 12.525 1.212 -5.389 1.00 0.00 C ATOM 384 CG ARG A 27 12.272 -0.102 -6.133 1.00 0.00 C ATOM 385 CD ARG A 27 13.283 -0.264 -7.273 1.00 0.00 C ATOM 386 NE ARG A 27 13.563 1.057 -7.892 1.00 0.00 N ATOM 387 CZ ARG A 27 14.640 1.226 -8.609 1.00 0.00 C ATOM 388 NH1 ARG A 27 15.805 1.302 -8.026 1.00 0.00 N ATOM 389 NH2 ARG A 27 14.553 1.313 -9.908 1.00 0.00 N ATOM 0 H ARG A 27 13.246 0.206 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 27 14.628 0.760 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.853 1.290 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.308 2.057 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.353 -0.941 -5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.258 -0.114 -6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.207 -0.700 -6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.891 -0.951 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 27 12.914 1.832 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.873 1.229 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.648 1.434 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.643 1.249 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.395 1.445 -10.468 1.00 0.00 H new ATOM 403 N THR A 28 14.312 3.327 -3.661 1.00 0.00 N ATOM 404 CA THR A 28 14.664 4.770 -3.516 1.00 0.00 C ATOM 405 C THR A 28 16.115 4.953 -3.039 1.00 0.00 C ATOM 406 O THR A 28 16.936 5.514 -3.737 1.00 0.00 O ATOM 407 CB THR A 28 13.694 5.406 -2.512 1.00 0.00 C ATOM 408 OG1 THR A 28 13.803 4.747 -1.259 1.00 0.00 O ATOM 409 CG2 THR A 28 12.263 5.268 -3.033 1.00 0.00 C ATOM 0 H THR A 28 14.008 2.867 -2.803 1.00 0.00 H new ATOM 0 HA THR A 28 14.580 5.256 -4.488 1.00 0.00 H new ATOM 0 HB THR A 28 13.941 6.461 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.069 4.105 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.572 5.719 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.175 5.774 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.020 4.212 -3.155 1.00 0.00 H new ATOM 417 N CYS A 29 16.435 4.513 -1.852 1.00 0.00 N ATOM 418 CA CYS A 29 17.824 4.692 -1.331 1.00 0.00 C ATOM 419 C CYS A 29 18.619 3.404 -1.525 1.00 0.00 C ATOM 420 O CYS A 29 19.651 3.202 -0.915 1.00 0.00 O ATOM 421 CB CYS A 29 17.766 5.005 0.163 1.00 0.00 C ATOM 422 SG CYS A 29 16.351 6.074 0.518 1.00 0.00 S ATOM 0 H CYS A 29 15.794 4.036 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 29 18.304 5.508 -1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.685 4.080 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.689 5.493 0.477 1.00 0.00 H new ATOM 427 N GLY A 30 18.143 2.521 -2.350 1.00 0.00 N ATOM 428 CA GLY A 30 18.872 1.236 -2.557 1.00 0.00 C ATOM 429 C GLY A 30 19.150 0.595 -1.192 1.00 0.00 C ATOM 430 O GLY A 30 20.042 -0.216 -1.047 1.00 0.00 O ATOM 0 H GLY A 30 17.284 2.628 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.279 0.562 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.808 1.415 -3.087 1.00 0.00 H new ATOM 434 N VAL A 31 18.391 0.959 -0.191 1.00 0.00 N ATOM 435 CA VAL A 31 18.606 0.379 1.168 1.00 0.00 C ATOM 436 C VAL A 31 17.543 -0.690 1.437 1.00 0.00 C ATOM 437 O VAL A 31 16.558 -0.786 0.733 1.00 0.00 O ATOM 438 CB VAL A 31 18.496 1.491 2.215 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.381 0.881 3.613 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.743 2.373 2.147 1.00 0.00 C ATOM 0 H VAL A 31 17.630 1.635 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 31 19.596 -0.074 1.223 1.00 0.00 H new ATOM 0 HB VAL A 31 17.608 2.090 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.303 1.678 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.493 0.251 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.265 0.278 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.669 3.166 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.628 1.769 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.823 2.814 1.153 1.00 0.00 H new ATOM 450 N GLY A 32 17.734 -1.503 2.442 1.00 0.00 N ATOM 451 CA GLY A 32 16.734 -2.567 2.736 1.00 0.00 C ATOM 452 C GLY A 32 17.477 -3.908 2.877 1.00 0.00 C ATOM 453 O GLY A 32 18.674 -3.940 2.669 1.00 0.00 O ATOM 0 H GLY A 32 18.537 -1.475 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.193 -2.335 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.996 -2.625 1.936 1.00 0.00 H new ATOM 457 N PRO A 33 16.790 -4.997 3.204 1.00 0.00 N ATOM 458 CA PRO A 33 17.476 -6.300 3.325 1.00 0.00 C ATOM 459 C PRO A 33 18.015 -6.736 1.955 1.00 0.00 C ATOM 460 O PRO A 33 17.779 -6.083 0.959 1.00 0.00 O ATOM 461 CB PRO A 33 16.393 -7.241 3.876 1.00 0.00 C ATOM 462 CG PRO A 33 15.041 -6.581 3.549 1.00 0.00 C ATOM 463 CD PRO A 33 15.317 -5.069 3.465 1.00 0.00 C ATOM 0 HA PRO A 33 18.347 -6.285 3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.465 -8.227 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.508 -7.380 4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.640 -6.957 2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.303 -6.801 4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.744 -4.600 2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.048 -4.560 4.390 1.00 0.00 H new ATOM 471 N ARG A 34 18.764 -7.805 1.894 1.00 0.00 N ATOM 472 CA ARG A 34 19.335 -8.229 0.584 1.00 0.00 C ATOM 473 C ARG A 34 18.403 -9.222 -0.103 1.00 0.00 C ATOM 474 O ARG A 34 18.590 -10.422 -0.041 1.00 0.00 O ATOM 475 CB ARG A 34 20.698 -8.885 0.811 1.00 0.00 C ATOM 476 CG ARG A 34 21.439 -8.990 -0.524 1.00 0.00 C ATOM 477 CD ARG A 34 22.307 -7.748 -0.726 1.00 0.00 C ATOM 478 NE ARG A 34 22.269 -7.343 -2.160 1.00 0.00 N ATOM 479 CZ ARG A 34 23.196 -6.560 -2.645 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.130 -6.086 -1.865 1.00 0.00 N ATOM 481 NH2 ARG A 34 23.190 -6.253 -3.913 1.00 0.00 N ATOM 0 H ARG A 34 19.003 -8.398 2.688 1.00 0.00 H new ATOM 0 HA ARG A 34 19.449 -7.351 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 34 21.283 -8.298 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.569 -9.876 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 34 22.059 -9.886 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.725 -9.084 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.947 -6.934 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 34 23.333 -7.955 -0.423 1.00 0.00 H new ATOM 0 HE ARG A 34 21.518 -7.678 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 34 24.137 -6.327 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 34 24.852 -5.475 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 34 22.462 -6.624 -4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.913 -5.642 -4.293 1.00 0.00 H new ATOM 495 N LEU A 35 17.409 -8.718 -0.775 1.00 0.00 N ATOM 496 CA LEU A 35 16.456 -9.599 -1.499 1.00 0.00 C ATOM 497 C LEU A 35 16.174 -8.979 -2.869 1.00 0.00 C ATOM 498 O LEU A 35 15.966 -7.788 -2.985 1.00 0.00 O ATOM 499 CB LEU A 35 15.152 -9.710 -0.707 1.00 0.00 C ATOM 500 CG LEU A 35 14.542 -11.095 -0.922 1.00 0.00 C ATOM 501 CD1 LEU A 35 15.550 -12.168 -0.505 1.00 0.00 C ATOM 502 CD2 LEU A 35 13.277 -11.230 -0.075 1.00 0.00 C ATOM 0 H LEU A 35 17.214 -7.720 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 35 16.882 -10.595 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 35 15.343 -9.546 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.452 -8.939 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 35 14.291 -11.222 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.115 -13.155 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.453 -12.072 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.801 -12.042 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.841 -12.217 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.529 -11.103 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.558 -10.466 -0.371 1.00 0.00 H new ATOM 514 N ALA A 36 16.175 -9.764 -3.911 1.00 0.00 N ATOM 515 CA ALA A 36 15.917 -9.193 -5.259 1.00 0.00 C ATOM 516 C ALA A 36 14.699 -8.262 -5.184 1.00 0.00 C ATOM 517 O ALA A 36 13.861 -8.398 -4.315 1.00 0.00 O ATOM 518 CB ALA A 36 15.643 -10.322 -6.254 1.00 0.00 C ATOM 0 H ALA A 36 16.342 -10.770 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 36 16.789 -8.630 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.454 -9.899 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.508 -10.983 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.771 -10.889 -5.929 1.00 0.00 H new ATOM 524 N THR A 37 14.596 -7.312 -6.078 1.00 0.00 N ATOM 525 CA THR A 37 13.436 -6.378 -6.039 1.00 0.00 C ATOM 526 C THR A 37 12.177 -7.087 -6.537 1.00 0.00 C ATOM 527 O THR A 37 11.175 -7.127 -5.857 1.00 0.00 O ATOM 528 CB THR A 37 13.734 -5.172 -6.931 1.00 0.00 C ATOM 529 OG1 THR A 37 14.661 -5.550 -7.940 1.00 0.00 O ATOM 530 CG2 THR A 37 14.330 -4.047 -6.083 1.00 0.00 C ATOM 0 H THR A 37 15.264 -7.145 -6.830 1.00 0.00 H new ATOM 0 HA THR A 37 13.272 -6.047 -5.014 1.00 0.00 H new ATOM 0 HB THR A 37 12.812 -4.825 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.852 -4.779 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.543 -3.187 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.619 -3.759 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.253 -4.392 -5.618 1.00 0.00 H new ATOM 538 N GLN A 38 12.216 -7.641 -7.716 1.00 0.00 N ATOM 539 CA GLN A 38 11.010 -8.338 -8.247 1.00 0.00 C ATOM 540 C GLN A 38 10.381 -9.191 -7.145 1.00 0.00 C ATOM 541 O GLN A 38 9.177 -9.328 -7.066 1.00 0.00 O ATOM 542 CB GLN A 38 11.407 -9.231 -9.424 1.00 0.00 C ATOM 543 CG GLN A 38 12.253 -8.426 -10.413 1.00 0.00 C ATOM 544 CD GLN A 38 13.662 -9.018 -10.479 1.00 0.00 C ATOM 545 OE1 GLN A 38 13.828 -10.195 -10.731 1.00 0.00 O ATOM 546 NE2 GLN A 38 14.693 -8.246 -10.261 1.00 0.00 N ATOM 0 H GLN A 38 13.028 -7.642 -8.334 1.00 0.00 H new ATOM 0 HA GLN A 38 10.287 -7.596 -8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.969 -10.094 -9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.515 -9.615 -9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.793 -8.444 -11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.300 -7.382 -10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.555 -7.258 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.636 -8.631 -10.302 1.00 0.00 H new ATOM 555 N GLU A 39 11.181 -9.755 -6.284 1.00 0.00 N ATOM 556 CA GLU A 39 10.617 -10.584 -5.185 1.00 0.00 C ATOM 557 C GLU A 39 9.790 -9.681 -4.268 1.00 0.00 C ATOM 558 O GLU A 39 8.639 -9.949 -3.984 1.00 0.00 O ATOM 559 CB GLU A 39 11.756 -11.224 -4.389 1.00 0.00 C ATOM 560 CG GLU A 39 12.329 -12.406 -5.175 1.00 0.00 C ATOM 561 CD GLU A 39 11.654 -13.699 -4.715 1.00 0.00 C ATOM 562 OE1 GLU A 39 10.589 -13.612 -4.127 1.00 0.00 O ATOM 563 OE2 GLU A 39 12.213 -14.756 -4.962 1.00 0.00 O ATOM 0 H GLU A 39 12.198 -9.678 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 39 9.987 -11.372 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.537 -10.489 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.391 -11.562 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.168 -12.259 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.406 -12.471 -5.021 1.00 0.00 H new ATOM 570 N MET A 40 10.368 -8.603 -3.816 1.00 0.00 N ATOM 571 CA MET A 40 9.620 -7.667 -2.932 1.00 0.00 C ATOM 572 C MET A 40 8.328 -7.263 -3.633 1.00 0.00 C ATOM 573 O MET A 40 7.234 -7.507 -3.154 1.00 0.00 O ATOM 574 CB MET A 40 10.465 -6.419 -2.696 1.00 0.00 C ATOM 575 CG MET A 40 9.994 -5.722 -1.421 1.00 0.00 C ATOM 576 SD MET A 40 10.382 -6.758 0.011 1.00 0.00 S ATOM 577 CE MET A 40 10.949 -5.432 1.101 1.00 0.00 C ATOM 0 H MET A 40 11.329 -8.330 -4.022 1.00 0.00 H new ATOM 0 HA MET A 40 9.399 -8.149 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.517 -6.690 -2.608 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.380 -5.742 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.480 -4.751 -1.324 1.00 0.00 H new ATOM 0 HG3 MET A 40 8.921 -5.537 -1.470 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.456 -5.863 1.965 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.640 -4.786 0.559 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.093 -4.846 1.437 1.00 0.00 H new ATOM 587 N LYS A 41 8.454 -6.647 -4.775 1.00 0.00 N ATOM 588 CA LYS A 41 7.244 -6.228 -5.531 1.00 0.00 C ATOM 589 C LYS A 41 6.237 -7.379 -5.515 1.00 0.00 C ATOM 590 O LYS A 41 5.039 -7.176 -5.449 1.00 0.00 O ATOM 591 CB LYS A 41 7.632 -5.900 -6.976 1.00 0.00 C ATOM 592 CG LYS A 41 6.385 -5.498 -7.764 1.00 0.00 C ATOM 593 CD LYS A 41 6.697 -5.522 -9.261 1.00 0.00 C ATOM 594 CE LYS A 41 6.299 -6.878 -9.846 1.00 0.00 C ATOM 595 NZ LYS A 41 6.774 -6.973 -11.254 1.00 0.00 N ATOM 0 H LYS A 41 9.344 -6.416 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 41 6.803 -5.343 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.361 -5.090 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.105 -6.765 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.565 -6.181 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.059 -4.502 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.156 -4.723 -9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.760 -5.342 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.730 -7.683 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.216 -6.998 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.503 -7.895 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.342 -6.213 -11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.809 -6.877 -11.278 1.00 0.00 H new ATOM 609 N ALA A 42 6.722 -8.591 -5.563 1.00 0.00 N ATOM 610 CA ALA A 42 5.806 -9.766 -5.538 1.00 0.00 C ATOM 611 C ALA A 42 5.053 -9.783 -4.207 1.00 0.00 C ATOM 612 O ALA A 42 3.846 -9.918 -4.164 1.00 0.00 O ATOM 613 CB ALA A 42 6.624 -11.051 -5.680 1.00 0.00 C ATOM 0 H ALA A 42 7.715 -8.817 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 42 5.095 -9.698 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.955 -11.912 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.168 -11.034 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.332 -11.124 -4.855 1.00 0.00 H new ATOM 619 N ARG A 43 5.761 -9.644 -3.118 1.00 0.00 N ATOM 620 CA ARG A 43 5.093 -9.648 -1.786 1.00 0.00 C ATOM 621 C ARG A 43 3.997 -8.577 -1.759 1.00 0.00 C ATOM 622 O ARG A 43 2.858 -8.845 -1.417 1.00 0.00 O ATOM 623 CB ARG A 43 6.122 -9.343 -0.696 1.00 0.00 C ATOM 624 CG ARG A 43 6.751 -10.648 -0.208 1.00 0.00 C ATOM 625 CD ARG A 43 8.210 -10.396 0.178 1.00 0.00 C ATOM 626 NE ARG A 43 8.726 -11.560 0.951 1.00 0.00 N ATOM 627 CZ ARG A 43 9.098 -11.403 2.192 1.00 0.00 C ATOM 628 NH1 ARG A 43 10.283 -10.926 2.462 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.287 -11.724 3.161 1.00 0.00 N ATOM 0 H ARG A 43 6.774 -9.528 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 43 4.651 -10.628 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.893 -8.679 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.644 -8.824 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.198 -11.033 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.696 -11.406 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.813 -10.244 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.288 -9.487 0.774 1.00 0.00 H new ATOM 0 HE ARG A 43 8.788 -12.478 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.917 -10.676 1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.574 -10.803 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.362 -12.098 2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.578 -11.601 4.131 1.00 0.00 H new ATOM 643 N CYS A 44 4.331 -7.362 -2.108 1.00 0.00 N ATOM 644 CA CYS A 44 3.304 -6.282 -2.091 1.00 0.00 C ATOM 645 C CYS A 44 2.114 -6.682 -2.962 1.00 0.00 C ATOM 646 O CYS A 44 0.984 -6.368 -2.654 1.00 0.00 O ATOM 647 CB CYS A 44 3.896 -4.985 -2.628 1.00 0.00 C ATOM 648 SG CYS A 44 4.851 -4.183 -1.324 1.00 0.00 S ATOM 0 H CYS A 44 5.264 -7.073 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 44 2.975 -6.133 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.534 -5.191 -3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.101 -4.324 -2.972 1.00 0.00 H new ATOM 653 N CYS A 45 2.351 -7.366 -4.053 1.00 0.00 N ATOM 654 CA CYS A 45 1.211 -7.764 -4.925 1.00 0.00 C ATOM 655 C CYS A 45 0.370 -8.813 -4.202 1.00 0.00 C ATOM 656 O CYS A 45 -0.820 -8.916 -4.414 1.00 0.00 O ATOM 657 CB CYS A 45 1.729 -8.341 -6.246 1.00 0.00 C ATOM 658 SG CYS A 45 2.624 -7.068 -7.178 1.00 0.00 S ATOM 0 H CYS A 45 3.273 -7.662 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 45 0.602 -6.886 -5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.387 -9.187 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.895 -8.717 -6.839 1.00 0.00 H new ATOM 663 N ARG A 46 0.971 -9.586 -3.342 1.00 0.00 N ATOM 664 CA ARG A 46 0.190 -10.614 -2.601 1.00 0.00 C ATOM 665 C ARG A 46 -0.674 -9.906 -1.565 1.00 0.00 C ATOM 666 O ARG A 46 -1.753 -10.349 -1.229 1.00 0.00 O ATOM 667 CB ARG A 46 1.139 -11.570 -1.887 1.00 0.00 C ATOM 668 CG ARG A 46 0.417 -12.890 -1.606 1.00 0.00 C ATOM 669 CD ARG A 46 1.363 -14.060 -1.880 1.00 0.00 C ATOM 670 NE ARG A 46 1.498 -14.889 -0.649 1.00 0.00 N ATOM 671 CZ ARG A 46 2.547 -15.647 -0.487 1.00 0.00 C ATOM 672 NH1 ARG A 46 3.238 -16.035 -1.525 1.00 0.00 N ATOM 673 NH2 ARG A 46 2.905 -16.019 0.713 1.00 0.00 N ATOM 0 H ARG A 46 1.966 -9.551 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.430 -11.179 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.022 -11.749 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.485 -11.126 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.078 -12.918 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.470 -12.972 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.979 -14.667 -2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.340 -13.687 -2.189 1.00 0.00 H new ATOM 0 HE ARG A 46 0.771 -14.864 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.957 -15.745 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.058 -16.628 -1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.364 -15.717 1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.725 -16.612 0.840 1.00 0.00 H new ATOM 687 N GLN A 47 -0.202 -8.803 -1.054 1.00 0.00 N ATOM 688 CA GLN A 47 -0.996 -8.058 -0.037 1.00 0.00 C ATOM 689 C GLN A 47 -2.126 -7.290 -0.732 1.00 0.00 C ATOM 690 O GLN A 47 -3.221 -7.171 -0.213 1.00 0.00 O ATOM 691 CB GLN A 47 -0.086 -7.072 0.700 1.00 0.00 C ATOM 692 CG GLN A 47 1.240 -7.755 1.039 1.00 0.00 C ATOM 693 CD GLN A 47 1.375 -7.887 2.558 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.388 -7.889 3.268 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.561 -7.998 3.089 1.00 0.00 N ATOM 0 H GLN A 47 0.697 -8.386 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.422 -8.762 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.094 -6.194 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.572 -6.725 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.283 -8.739 0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.072 -7.176 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.389 -7.996 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.661 -8.087 4.100 1.00 0.00 H new ATOM 704 N LEU A 48 -1.872 -6.774 -1.904 1.00 0.00 N ATOM 705 CA LEU A 48 -2.927 -6.018 -2.634 1.00 0.00 C ATOM 706 C LEU A 48 -3.983 -6.996 -3.152 1.00 0.00 C ATOM 707 O LEU A 48 -5.162 -6.704 -3.163 1.00 0.00 O ATOM 708 CB LEU A 48 -2.298 -5.272 -3.814 1.00 0.00 C ATOM 709 CG LEU A 48 -3.312 -4.287 -4.397 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.589 -3.019 -4.859 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.017 -4.932 -5.592 1.00 0.00 C ATOM 0 H LEU A 48 -0.977 -6.844 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.394 -5.300 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.405 -4.739 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.983 -5.981 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.046 -4.029 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.313 -2.318 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.084 -2.558 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.855 -3.277 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.740 -4.231 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.281 -5.190 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.533 -5.835 -5.266 1.00 0.00 H new ATOM 723 N GLU A 49 -3.570 -8.162 -3.572 1.00 0.00 N ATOM 724 CA GLU A 49 -4.553 -9.159 -4.077 1.00 0.00 C ATOM 725 C GLU A 49 -5.350 -9.695 -2.891 1.00 0.00 C ATOM 726 O GLU A 49 -6.562 -9.607 -2.864 1.00 0.00 O ATOM 727 CB GLU A 49 -3.815 -10.307 -4.771 1.00 0.00 C ATOM 728 CG GLU A 49 -4.718 -10.929 -5.836 1.00 0.00 C ATOM 729 CD GLU A 49 -3.994 -10.929 -7.183 1.00 0.00 C ATOM 730 OE1 GLU A 49 -3.054 -11.695 -7.329 1.00 0.00 O ATOM 731 OE2 GLU A 49 -4.390 -10.163 -8.046 1.00 0.00 O ATOM 0 H GLU A 49 -2.596 -8.465 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.226 -8.691 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.897 -9.938 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.526 -11.062 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.983 -11.948 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.649 -10.367 -5.912 1.00 0.00 H new ATOM 738 N ALA A 50 -4.683 -10.224 -1.891 1.00 0.00 N ATOM 739 CA ALA A 50 -5.423 -10.725 -0.696 1.00 0.00 C ATOM 740 C ALA A 50 -6.438 -9.649 -0.327 1.00 0.00 C ATOM 741 O ALA A 50 -7.612 -9.905 -0.164 1.00 0.00 O ATOM 742 CB ALA A 50 -4.451 -10.946 0.467 1.00 0.00 C ATOM 0 H ALA A 50 -3.669 -10.328 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.915 -11.674 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.999 -11.312 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.698 -11.680 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.962 -10.004 0.717 1.00 0.00 H new ATOM 748 N ILE A 51 -5.980 -8.431 -0.268 1.00 0.00 N ATOM 749 CA ILE A 51 -6.886 -7.289 0.006 1.00 0.00 C ATOM 750 C ILE A 51 -7.899 -7.234 -1.141 1.00 0.00 C ATOM 751 O ILE A 51 -7.541 -6.885 -2.247 1.00 0.00 O ATOM 752 CB ILE A 51 -6.078 -5.991 0.041 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.177 -5.985 1.278 1.00 0.00 C ATOM 754 CG2 ILE A 51 -7.032 -4.798 0.100 1.00 0.00 C ATOM 755 CD1 ILE A 51 -4.152 -4.857 1.155 1.00 0.00 C ATOM 0 H ILE A 51 -5.001 -8.177 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.389 -7.410 0.965 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.464 -5.921 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.777 -5.849 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.668 -6.944 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.456 -3.873 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.674 -4.802 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.646 -4.867 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.510 -4.852 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.545 -5.013 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.670 -3.901 1.078 1.00 0.00 H new ATOM 767 N PRO A 52 -9.115 -7.629 -0.873 1.00 0.00 N ATOM 768 CA PRO A 52 -10.156 -7.680 -1.912 1.00 0.00 C ATOM 769 C PRO A 52 -10.417 -6.290 -2.492 1.00 0.00 C ATOM 770 O PRO A 52 -10.391 -5.298 -1.791 1.00 0.00 O ATOM 771 CB PRO A 52 -11.370 -8.272 -1.185 1.00 0.00 C ATOM 772 CG PRO A 52 -11.116 -8.049 0.322 1.00 0.00 C ATOM 773 CD PRO A 52 -9.585 -7.989 0.481 1.00 0.00 C ATOM 0 HA PRO A 52 -9.881 -8.283 -2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.291 -7.783 -1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.479 -9.333 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.582 -7.125 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.540 -8.859 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.286 -7.246 1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.177 -8.946 0.807 1.00 0.00 H new ATOM 781 N ALA A 53 -10.630 -6.232 -3.785 1.00 0.00 N ATOM 782 CA ALA A 53 -10.865 -4.931 -4.481 1.00 0.00 C ATOM 783 C ALA A 53 -11.565 -3.938 -3.554 1.00 0.00 C ATOM 784 O ALA A 53 -11.308 -2.751 -3.595 1.00 0.00 O ATOM 785 CB ALA A 53 -11.723 -5.174 -5.721 1.00 0.00 C ATOM 0 H ALA A 53 -10.651 -7.048 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.904 -4.507 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.898 -4.228 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.206 -5.860 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.678 -5.608 -5.424 1.00 0.00 H new ATOM 791 N TYR A 54 -12.438 -4.409 -2.711 1.00 0.00 N ATOM 792 CA TYR A 54 -13.135 -3.483 -1.779 1.00 0.00 C ATOM 793 C TYR A 54 -12.168 -3.069 -0.665 1.00 0.00 C ATOM 794 O TYR A 54 -11.552 -3.901 -0.029 1.00 0.00 O ATOM 795 CB TYR A 54 -14.344 -4.192 -1.161 1.00 0.00 C ATOM 796 CG TYR A 54 -15.548 -4.016 -2.054 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.989 -2.730 -2.392 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.226 -5.139 -2.546 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.108 -2.568 -3.219 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.344 -4.976 -3.372 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.785 -3.692 -3.709 1.00 0.00 C ATOM 802 OH TYR A 54 -18.887 -3.533 -4.525 1.00 0.00 O ATOM 0 H TYR A 54 -12.699 -5.392 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.471 -2.601 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.128 -5.252 -1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.550 -3.784 -0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.466 -1.863 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.886 -6.131 -2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.449 -1.577 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.867 -5.842 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.237 -4.413 -4.777 1.00 0.00 H new ATOM 812 N CYS A 55 -12.039 -1.792 -0.418 1.00 0.00 N ATOM 813 CA CYS A 55 -11.122 -1.319 0.665 1.00 0.00 C ATOM 814 C CYS A 55 -9.660 -1.327 0.189 1.00 0.00 C ATOM 815 O CYS A 55 -8.766 -0.985 0.937 1.00 0.00 O ATOM 816 CB CYS A 55 -11.256 -2.233 1.888 1.00 0.00 C ATOM 817 SG CYS A 55 -13.000 -2.647 2.152 1.00 0.00 S ATOM 0 H CYS A 55 -12.530 -1.053 -0.920 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.400 -0.298 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.675 -3.143 1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.852 -1.737 2.771 1.00 0.00 H new ATOM 822 N ARG A 56 -9.397 -1.713 -1.036 1.00 0.00 N ATOM 823 CA ARG A 56 -7.981 -1.731 -1.518 1.00 0.00 C ATOM 824 C ARG A 56 -7.261 -0.453 -1.059 1.00 0.00 C ATOM 825 O ARG A 56 -6.665 -0.423 -0.005 1.00 0.00 O ATOM 826 CB ARG A 56 -7.953 -1.794 -3.048 1.00 0.00 C ATOM 827 CG ARG A 56 -8.415 -3.171 -3.527 1.00 0.00 C ATOM 828 CD ARG A 56 -7.204 -4.096 -3.690 1.00 0.00 C ATOM 829 NE ARG A 56 -7.511 -5.151 -4.702 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.835 -4.814 -5.919 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.235 -3.813 -6.504 1.00 0.00 N ATOM 832 NH2 ARG A 56 -8.761 -5.479 -6.553 1.00 0.00 N ATOM 0 H ARG A 56 -10.094 -2.014 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.479 -2.606 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.599 -1.021 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.944 -1.594 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.117 -3.599 -2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.944 -3.078 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.333 -3.520 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.954 -4.557 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.467 -6.136 -4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.511 -3.293 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.490 -3.551 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.230 -6.261 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.016 -5.217 -7.505 1.00 0.00 H new ATOM 846 N CYS A 57 -7.304 0.587 -1.869 1.00 0.00 N ATOM 847 CA CYS A 57 -6.617 1.893 -1.530 1.00 0.00 C ATOM 848 C CYS A 57 -6.368 2.029 -0.019 1.00 0.00 C ATOM 849 O CYS A 57 -5.251 2.257 0.400 1.00 0.00 O ATOM 850 CB CYS A 57 -7.483 3.080 -1.980 1.00 0.00 C ATOM 851 SG CYS A 57 -8.302 2.708 -3.553 1.00 0.00 S ATOM 0 H CYS A 57 -7.792 0.590 -2.765 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.660 1.895 -2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.230 3.302 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.863 3.970 -2.088 1.00 0.00 H new ATOM 856 N GLU A 58 -7.398 1.911 0.792 1.00 0.00 N ATOM 857 CA GLU A 58 -7.230 2.047 2.273 1.00 0.00 C ATOM 858 C GLU A 58 -5.845 1.564 2.710 1.00 0.00 C ATOM 859 O GLU A 58 -5.085 2.312 3.283 1.00 0.00 O ATOM 860 CB GLU A 58 -8.298 1.213 2.980 1.00 0.00 C ATOM 861 CG GLU A 58 -9.681 1.579 2.436 1.00 0.00 C ATOM 862 CD GLU A 58 -10.541 2.142 3.567 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.292 3.266 3.973 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.434 1.440 4.011 1.00 0.00 O ATOM 0 H GLU A 58 -8.353 1.725 0.486 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.334 3.099 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.105 0.151 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.260 1.391 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.586 2.314 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.159 0.699 2.005 1.00 0.00 H new ATOM 871 N ALA A 59 -5.526 0.320 2.447 1.00 0.00 N ATOM 872 CA ALA A 59 -4.196 -0.247 2.844 1.00 0.00 C ATOM 873 C ALA A 59 -3.122 0.841 2.876 1.00 0.00 C ATOM 874 O ALA A 59 -2.469 1.053 3.880 1.00 0.00 O ATOM 875 CB ALA A 59 -3.787 -1.329 1.842 1.00 0.00 C ATOM 0 H ALA A 59 -6.140 -0.338 1.966 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.288 -0.673 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.820 -1.743 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.535 -2.122 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.715 -0.893 0.845 1.00 0.00 H new ATOM 881 N VAL A 60 -2.933 1.528 1.792 1.00 0.00 N ATOM 882 CA VAL A 60 -1.898 2.601 1.765 1.00 0.00 C ATOM 883 C VAL A 60 -2.162 3.595 2.901 1.00 0.00 C ATOM 884 O VAL A 60 -1.293 3.893 3.702 1.00 0.00 O ATOM 885 CB VAL A 60 -1.958 3.333 0.423 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.804 4.331 0.333 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.843 2.319 -0.717 1.00 0.00 C ATOM 0 H VAL A 60 -3.448 1.397 0.921 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.911 2.157 1.893 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.906 3.865 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.847 4.852 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.884 5.054 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.144 3.799 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.886 2.840 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.895 1.786 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.666 1.607 -0.655 1.00 0.00 H new ATOM 897 N ARG A 61 -3.358 4.112 2.972 1.00 0.00 N ATOM 898 CA ARG A 61 -3.692 5.092 4.045 1.00 0.00 C ATOM 899 C ARG A 61 -3.416 4.476 5.422 1.00 0.00 C ATOM 900 O ARG A 61 -3.161 5.169 6.380 1.00 0.00 O ATOM 901 CB ARG A 61 -5.172 5.466 3.946 1.00 0.00 C ATOM 902 CG ARG A 61 -5.358 6.545 2.877 1.00 0.00 C ATOM 903 CD ARG A 61 -5.068 7.919 3.483 1.00 0.00 C ATOM 904 NE ARG A 61 -5.108 8.952 2.410 1.00 0.00 N ATOM 905 CZ ARG A 61 -6.255 9.414 1.992 1.00 0.00 C ATOM 906 NH1 ARG A 61 -6.836 10.395 2.629 1.00 0.00 N ATOM 907 NH2 ARG A 61 -6.821 8.895 0.939 1.00 0.00 N ATOM 0 H ARG A 61 -4.121 3.897 2.331 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.076 5.983 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.764 4.586 3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.531 5.828 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.690 6.358 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.376 6.515 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.803 8.151 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.090 7.917 3.965 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.239 9.298 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.393 10.801 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.732 10.756 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.368 8.128 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.717 9.256 0.612 1.00 0.00 H new ATOM 921 N ILE A 62 -3.481 3.181 5.532 1.00 0.00 N ATOM 922 CA ILE A 62 -3.233 2.526 6.848 1.00 0.00 C ATOM 923 C ILE A 62 -1.734 2.439 7.128 1.00 0.00 C ATOM 924 O ILE A 62 -1.311 2.445 8.268 1.00 0.00 O ATOM 925 CB ILE A 62 -3.837 1.125 6.828 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.244 1.179 6.230 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.917 0.600 8.254 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.162 1.988 7.150 1.00 0.00 C ATOM 0 H ILE A 62 -3.696 2.543 4.765 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.697 3.119 7.636 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.213 0.467 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.212 1.634 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.636 0.170 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.348 -0.401 8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.916 0.563 8.685 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.544 1.262 8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.164 2.026 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.203 1.514 8.131 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.773 3.001 7.253 1.00 0.00 H new ATOM 940 N LEU A 63 -0.922 2.359 6.114 1.00 0.00 N ATOM 941 CA LEU A 63 0.541 2.280 6.361 1.00 0.00 C ATOM 942 C LEU A 63 1.058 3.672 6.707 1.00 0.00 C ATOM 943 O LEU A 63 1.749 3.863 7.688 1.00 0.00 O ATOM 944 CB LEU A 63 1.255 1.758 5.111 1.00 0.00 C ATOM 945 CG LEU A 63 2.759 1.654 5.388 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.339 0.460 4.629 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.454 2.937 4.923 1.00 0.00 C ATOM 0 H LEU A 63 -1.205 2.345 5.134 1.00 0.00 H new ATOM 0 HA LEU A 63 0.737 1.596 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.857 0.782 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.075 2.427 4.270 1.00 0.00 H new ATOM 0 HG LEU A 63 2.920 1.518 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.408 0.388 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.846 -0.455 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.176 0.595 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.524 2.863 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.290 3.072 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.043 3.790 5.464 1.00 0.00 H new ATOM 959 N MET A 64 0.729 4.650 5.913 1.00 0.00 N ATOM 960 CA MET A 64 1.204 6.029 6.207 1.00 0.00 C ATOM 961 C MET A 64 0.349 6.645 7.323 1.00 0.00 C ATOM 962 O MET A 64 0.863 7.204 8.271 1.00 0.00 O ATOM 963 CB MET A 64 1.095 6.887 4.942 1.00 0.00 C ATOM 964 CG MET A 64 2.015 8.104 5.070 1.00 0.00 C ATOM 965 SD MET A 64 1.122 9.451 5.886 1.00 0.00 S ATOM 966 CE MET A 64 2.558 10.251 6.641 1.00 0.00 C ATOM 0 H MET A 64 0.154 4.555 5.076 1.00 0.00 H new ATOM 0 HA MET A 64 2.244 5.991 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.371 6.300 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.064 7.211 4.797 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.904 7.843 5.644 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.354 8.423 4.084 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.233 11.125 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.054 9.550 7.312 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.254 10.561 5.861 1.00 0.00 H new ATOM 976 N ASP A 65 -0.952 6.548 7.219 1.00 0.00 N ATOM 977 CA ASP A 65 -1.830 7.130 8.276 1.00 0.00 C ATOM 978 C ASP A 65 -1.902 6.176 9.475 1.00 0.00 C ATOM 979 O ASP A 65 -2.252 6.576 10.566 1.00 0.00 O ATOM 980 CB ASP A 65 -3.242 7.456 7.734 1.00 0.00 C ATOM 981 CG ASP A 65 -3.127 8.047 6.327 1.00 0.00 C ATOM 982 OD1 ASP A 65 -2.659 7.348 5.445 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.513 9.193 6.156 1.00 0.00 O ATOM 0 H ASP A 65 -1.442 6.092 6.450 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.393 8.074 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.852 6.553 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.743 8.162 8.396 1.00 0.00 H new ATOM 988 N GLY A 66 -1.584 4.913 9.291 1.00 0.00 N ATOM 989 CA GLY A 66 -1.655 3.971 10.437 1.00 0.00 C ATOM 990 C GLY A 66 -2.926 3.113 10.358 1.00 0.00 C ATOM 991 O GLY A 66 -3.875 3.427 9.671 1.00 0.00 O ATOM 0 H GLY A 66 -1.283 4.506 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.775 3.327 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.645 4.529 11.373 1.00 0.00 H new ATOM 995 N VAL A 67 -2.924 2.030 11.081 1.00 0.00 N ATOM 996 CA VAL A 67 -4.088 1.093 11.113 1.00 0.00 C ATOM 997 C VAL A 67 -4.707 1.112 12.517 1.00 0.00 C ATOM 998 O VAL A 67 -4.050 1.429 13.485 1.00 0.00 O ATOM 999 CB VAL A 67 -3.596 -0.339 10.817 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -2.965 -0.958 12.070 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -4.780 -1.200 10.370 1.00 0.00 C ATOM 0 H VAL A 67 -2.142 1.744 11.670 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.824 1.399 10.369 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.846 -0.297 10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.623 -1.968 11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.118 -0.351 12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.705 -0.996 12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.435 -2.212 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.529 -1.229 11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.221 -0.773 9.469 1.00 0.00 H new ATOM 1011 N VAL A 68 -5.962 0.775 12.640 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.591 0.779 13.989 1.00 0.00 C ATOM 1013 C VAL A 68 -7.112 -0.616 14.332 1.00 0.00 C ATOM 1014 O VAL A 68 -7.387 -1.427 13.470 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.737 1.794 14.033 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.638 1.513 15.242 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -7.146 3.197 14.162 1.00 0.00 C ATOM 0 H VAL A 68 -6.573 0.500 11.871 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.839 1.064 14.725 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.329 1.716 13.121 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.451 2.239 15.267 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.052 0.508 15.162 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.053 1.592 16.158 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.952 3.930 14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.560 3.262 15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.504 3.402 13.305 1.00 0.00 H new ATOM 1027 N THR A 69 -7.242 -0.891 15.598 1.00 0.00 N ATOM 1028 CA THR A 69 -7.739 -2.219 16.043 1.00 0.00 C ATOM 1029 C THR A 69 -9.042 -2.026 16.814 1.00 0.00 C ATOM 1030 O THR A 69 -9.337 -0.952 17.297 1.00 0.00 O ATOM 1031 CB THR A 69 -6.694 -2.892 16.940 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.366 -2.032 18.023 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.437 -3.191 16.123 1.00 0.00 C ATOM 0 H THR A 69 -7.022 -0.242 16.353 1.00 0.00 H new ATOM 0 HA THR A 69 -7.917 -2.856 15.176 1.00 0.00 H new ATOM 0 HB THR A 69 -7.102 -3.824 17.333 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.962 -1.209 17.677 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.694 -3.670 16.761 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.689 -3.857 15.297 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.030 -2.260 15.727 1.00 0.00 H new ATOM 1041 N SER A 70 -9.834 -3.051 16.908 1.00 0.00 N ATOM 1042 CA SER A 70 -11.135 -2.933 17.628 1.00 0.00 C ATOM 1043 C SER A 70 -10.881 -2.666 19.106 1.00 0.00 C ATOM 1044 O SER A 70 -11.680 -2.056 19.788 1.00 0.00 O ATOM 1045 CB SER A 70 -11.927 -4.232 17.473 1.00 0.00 C ATOM 1046 OG SER A 70 -13.243 -4.042 17.976 1.00 0.00 O ATOM 0 H SER A 70 -9.639 -3.972 16.516 1.00 0.00 H new ATOM 0 HA SER A 70 -11.706 -2.107 17.204 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.965 -4.525 16.424 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.432 -5.040 18.012 1.00 0.00 H new ATOM 0 HG SER A 70 -13.754 -4.872 17.877 1.00 0.00 H new ATOM 1052 N SER A 71 -9.773 -3.117 19.600 1.00 0.00 N ATOM 1053 CA SER A 71 -9.450 -2.895 21.035 1.00 0.00 C ATOM 1054 C SER A 71 -9.188 -1.407 21.268 1.00 0.00 C ATOM 1055 O SER A 71 -9.148 -0.942 22.390 1.00 0.00 O ATOM 1056 CB SER A 71 -8.204 -3.697 21.408 1.00 0.00 C ATOM 1057 OG SER A 71 -7.266 -3.631 20.341 1.00 0.00 O ATOM 0 H SER A 71 -9.069 -3.634 19.072 1.00 0.00 H new ATOM 0 HA SER A 71 -10.287 -3.220 21.653 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.762 -3.300 22.322 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.472 -4.734 21.609 1.00 0.00 H new ATOM 0 HG SER A 71 -6.356 -3.641 20.704 1.00 0.00 H new ATOM 1063 N GLY A 72 -9.000 -0.660 20.215 1.00 0.00 N ATOM 1064 CA GLY A 72 -8.730 0.797 20.377 1.00 0.00 C ATOM 1065 C GLY A 72 -7.223 1.036 20.260 1.00 0.00 C ATOM 1066 O GLY A 72 -6.736 2.118 20.522 1.00 0.00 O ATOM 0 H GLY A 72 -9.022 -0.994 19.252 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.263 1.366 19.615 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.093 1.143 21.345 1.00 0.00 H new ATOM 1070 N GLN A 73 -6.473 0.030 19.877 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.997 0.209 19.759 1.00 0.00 C ATOM 1072 C GLN A 73 -4.640 0.602 18.326 1.00 0.00 C ATOM 1073 O GLN A 73 -5.370 0.329 17.398 1.00 0.00 O ATOM 1074 CB GLN A 73 -4.298 -1.102 20.121 1.00 0.00 C ATOM 1075 CG GLN A 73 -4.350 -1.302 21.637 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.819 -2.692 21.990 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -4.482 -3.684 21.763 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.641 -2.807 22.542 1.00 0.00 N ATOM 0 H GLN A 73 -6.819 -0.900 19.643 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.670 0.996 20.439 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.783 -1.937 19.616 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.263 -1.081 19.781 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.755 -0.537 22.135 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.374 -1.192 21.994 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.084 -1.974 22.733 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.278 -3.730 22.782 1.00 0.00 H new ATOM 1087 N HIS A 74 -3.520 1.242 18.133 1.00 0.00 N ATOM 1088 CA HIS A 74 -3.128 1.643 16.761 1.00 0.00 C ATOM 1089 C HIS A 74 -1.840 0.918 16.379 1.00 0.00 C ATOM 1090 O HIS A 74 -1.059 0.520 17.221 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.876 3.147 16.719 1.00 0.00 C ATOM 1092 CG HIS A 74 -4.178 3.896 16.605 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -4.292 5.061 15.863 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -5.425 3.668 17.134 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -5.565 5.485 15.962 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -6.298 4.671 16.726 1.00 0.00 N ATOM 0 H HIS A 74 -2.862 1.503 18.868 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.927 1.385 16.066 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.348 3.459 17.620 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.234 3.391 15.873 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.688 2.836 17.770 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.947 6.374 15.483 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.286 4.765 16.960 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.621 0.747 15.112 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.393 0.046 14.640 1.00 0.00 C ATOM 1106 C GLU A 75 0.040 0.632 13.299 1.00 0.00 C ATOM 1107 O GLU A 75 -0.464 1.643 12.855 1.00 0.00 O ATOM 1108 CB GLU A 75 -0.689 -1.447 14.469 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.481 -1.959 15.672 1.00 0.00 C ATOM 1110 CD GLU A 75 -0.578 -1.981 16.906 1.00 0.00 C ATOM 1111 OE1 GLU A 75 0.546 -1.520 16.800 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -1.025 -2.459 17.935 1.00 0.00 O ATOM 0 H GLU A 75 -2.245 1.065 14.371 1.00 0.00 H new ATOM 0 HA GLU A 75 0.404 0.177 15.372 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.255 -1.612 13.552 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.243 -2.003 14.372 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.344 -1.318 15.852 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.863 -2.960 15.470 1.00 0.00 H new ATOM 1119 N GLY A 76 0.975 -0.001 12.654 1.00 0.00 N ATOM 1120 CA GLY A 76 1.449 0.509 11.337 1.00 0.00 C ATOM 1121 C GLY A 76 1.981 1.931 11.510 1.00 0.00 C ATOM 1122 O GLY A 76 2.544 2.272 12.531 1.00 0.00 O ATOM 0 H GLY A 76 1.434 -0.851 12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.232 -0.139 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.633 0.499 10.615 1.00 0.00 H new ATOM 1126 N ARG A 77 1.801 2.765 10.526 1.00 0.00 N ATOM 1127 CA ARG A 77 2.293 4.166 10.647 1.00 0.00 C ATOM 1128 C ARG A 77 3.810 4.173 10.886 1.00 0.00 C ATOM 1129 O ARG A 77 4.369 5.162 11.317 1.00 0.00 O ATOM 1130 CB ARG A 77 1.598 4.845 11.829 1.00 0.00 C ATOM 1131 CG ARG A 77 0.814 6.061 11.333 1.00 0.00 C ATOM 1132 CD ARG A 77 1.334 7.322 12.027 1.00 0.00 C ATOM 1133 NE ARG A 77 0.599 7.524 13.307 1.00 0.00 N ATOM 1134 CZ ARG A 77 0.349 8.732 13.732 1.00 0.00 C ATOM 1135 NH1 ARG A 77 1.332 9.561 13.955 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -0.882 9.112 13.933 1.00 0.00 N ATOM 0 H ARG A 77 1.337 2.540 9.646 1.00 0.00 H new ATOM 0 HA ARG A 77 2.071 4.702 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.926 4.142 12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.336 5.153 12.570 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.919 6.158 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.248 5.931 11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.403 7.229 12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.201 8.188 11.378 1.00 0.00 H new ATOM 0 HE ARG A 77 0.291 6.718 13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.295 9.264 13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.137 10.505 14.287 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.651 8.465 13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.076 10.057 14.265 1.00 0.00 H new ATOM 1150 N LEU A 78 4.482 3.082 10.618 1.00 0.00 N ATOM 1151 CA LEU A 78 5.953 3.044 10.843 1.00 0.00 C ATOM 1152 C LEU A 78 6.666 3.809 9.723 1.00 0.00 C ATOM 1153 O LEU A 78 7.804 4.207 9.866 1.00 0.00 O ATOM 1154 CB LEU A 78 6.435 1.588 10.872 1.00 0.00 C ATOM 1155 CG LEU A 78 5.902 0.902 12.130 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.082 -0.327 11.731 1.00 0.00 C ATOM 1157 CD2 LEU A 78 7.076 0.468 13.010 1.00 0.00 C ATOM 0 H LEU A 78 4.075 2.220 10.255 1.00 0.00 H new ATOM 0 HA LEU A 78 6.184 3.514 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.089 1.061 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.524 1.554 10.859 1.00 0.00 H new ATOM 0 HG LEU A 78 5.270 1.597 12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.701 -0.817 12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.246 -0.018 11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.714 -1.022 11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.697 -0.021 13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.708 -0.227 12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.661 1.343 13.294 1.00 0.00 H new ATOM 1169 N LEU A 79 6.006 4.032 8.615 1.00 0.00 N ATOM 1170 CA LEU A 79 6.654 4.786 7.508 1.00 0.00 C ATOM 1171 C LEU A 79 7.310 6.040 8.087 1.00 0.00 C ATOM 1172 O LEU A 79 6.674 7.059 8.264 1.00 0.00 O ATOM 1173 CB LEU A 79 5.593 5.188 6.483 1.00 0.00 C ATOM 1174 CG LEU A 79 6.271 5.653 5.196 1.00 0.00 C ATOM 1175 CD1 LEU A 79 5.305 5.483 4.022 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.658 7.127 5.328 1.00 0.00 C ATOM 0 H LEU A 79 5.051 3.725 8.433 1.00 0.00 H new ATOM 0 HA LEU A 79 7.407 4.166 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.936 4.343 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.969 5.986 6.885 1.00 0.00 H new ATOM 0 HG LEU A 79 7.166 5.057 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.788 5.815 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.028 4.433 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.410 6.080 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.142 7.460 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.763 7.724 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.345 7.249 6.165 1.00 0.00 H new ATOM 1188 N GLN A 80 8.576 5.974 8.396 1.00 0.00 N ATOM 1189 CA GLN A 80 9.261 7.161 8.978 1.00 0.00 C ATOM 1190 C GLN A 80 10.523 7.481 8.186 1.00 0.00 C ATOM 1191 O GLN A 80 10.858 6.817 7.223 1.00 0.00 O ATOM 1192 CB GLN A 80 9.634 6.872 10.433 1.00 0.00 C ATOM 1193 CG GLN A 80 8.399 7.044 11.320 1.00 0.00 C ATOM 1194 CD GLN A 80 7.916 8.492 11.246 1.00 0.00 C ATOM 1195 OE1 GLN A 80 6.856 8.765 10.715 1.00 0.00 O ATOM 1196 NE2 GLN A 80 8.650 9.441 11.760 1.00 0.00 N ATOM 0 H GLN A 80 9.164 5.150 8.271 1.00 0.00 H new ATOM 0 HA GLN A 80 8.587 8.016 8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.023 5.858 10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.425 7.548 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.608 6.368 10.995 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.639 6.782 12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.539 9.214 12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.335 10.410 11.716 1.00 0.00 H new ATOM 1205 N ASP A 81 11.212 8.510 8.581 1.00 0.00 N ATOM 1206 CA ASP A 81 12.447 8.910 7.858 1.00 0.00 C ATOM 1207 C ASP A 81 13.580 7.919 8.126 1.00 0.00 C ATOM 1208 O ASP A 81 14.209 7.931 9.166 1.00 0.00 O ATOM 1209 CB ASP A 81 12.882 10.303 8.313 1.00 0.00 C ATOM 1210 CG ASP A 81 11.708 11.276 8.188 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.715 11.068 8.867 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.820 12.214 7.415 1.00 0.00 O ATOM 0 H ASP A 81 10.971 9.096 9.380 1.00 0.00 H new ATOM 0 HA ASP A 81 12.230 8.917 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.229 10.267 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.720 10.649 7.707 1.00 0.00 H new ATOM 1217 N LEU A 82 13.864 7.096 7.163 1.00 0.00 N ATOM 1218 CA LEU A 82 14.978 6.122 7.289 1.00 0.00 C ATOM 1219 C LEU A 82 16.265 6.867 6.930 1.00 0.00 C ATOM 1220 O LEU A 82 16.198 8.000 6.497 1.00 0.00 O ATOM 1221 CB LEU A 82 14.732 4.971 6.303 1.00 0.00 C ATOM 1222 CG LEU A 82 13.756 3.963 6.915 1.00 0.00 C ATOM 1223 CD1 LEU A 82 13.090 3.156 5.799 1.00 0.00 C ATOM 1224 CD2 LEU A 82 14.519 3.008 7.837 1.00 0.00 C ATOM 0 H LEU A 82 13.362 7.056 6.276 1.00 0.00 H new ATOM 0 HA LEU A 82 15.050 5.710 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.328 5.361 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.674 4.479 6.062 1.00 0.00 H new ATOM 0 HG LEU A 82 12.997 4.497 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.395 2.438 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.548 3.830 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.852 2.624 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.824 2.290 8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.277 2.476 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.000 3.577 8.633 1.00 0.00 H new ATOM 1236 N PRO A 83 17.399 6.241 7.098 1.00 0.00 N ATOM 1237 CA PRO A 83 18.674 6.888 6.762 1.00 0.00 C ATOM 1238 C PRO A 83 18.786 7.050 5.244 1.00 0.00 C ATOM 1239 O PRO A 83 19.022 6.105 4.517 1.00 0.00 O ATOM 1240 CB PRO A 83 19.733 5.943 7.340 1.00 0.00 C ATOM 1241 CG PRO A 83 19.043 4.570 7.504 1.00 0.00 C ATOM 1242 CD PRO A 83 17.533 4.857 7.613 1.00 0.00 C ATOM 0 HA PRO A 83 18.784 7.893 7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.593 5.869 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.101 6.310 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.256 3.923 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.407 4.056 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.948 4.152 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.184 4.777 8.642 1.00 0.00 H new ATOM 1250 N GLY A 84 18.602 8.254 4.770 1.00 0.00 N ATOM 1251 CA GLY A 84 18.674 8.516 3.305 1.00 0.00 C ATOM 1252 C GLY A 84 17.275 8.397 2.675 1.00 0.00 C ATOM 1253 O GLY A 84 17.126 8.503 1.476 1.00 0.00 O ATOM 0 H GLY A 84 18.403 9.074 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.078 9.512 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.355 7.807 2.834 1.00 0.00 H new ATOM 1257 N CYS A 85 16.243 8.193 3.466 1.00 0.00 N ATOM 1258 CA CYS A 85 14.873 8.085 2.880 1.00 0.00 C ATOM 1259 C CYS A 85 13.888 8.839 3.785 1.00 0.00 C ATOM 1260 O CYS A 85 13.321 8.252 4.675 1.00 0.00 O ATOM 1261 CB CYS A 85 14.453 6.615 2.835 1.00 0.00 C ATOM 1262 SG CYS A 85 15.876 5.579 2.416 1.00 0.00 S ATOM 0 H CYS A 85 16.293 8.098 4.480 1.00 0.00 H new ATOM 0 HA CYS A 85 14.872 8.505 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.046 6.315 3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.662 6.476 2.098 1.00 0.00 H new ATOM 1267 N PRO A 86 13.715 10.116 3.556 1.00 0.00 N ATOM 1268 CA PRO A 86 12.813 10.936 4.387 1.00 0.00 C ATOM 1269 C PRO A 86 11.341 10.687 4.048 1.00 0.00 C ATOM 1270 O PRO A 86 11.012 10.230 2.971 1.00 0.00 O ATOM 1271 CB PRO A 86 13.201 12.373 4.037 1.00 0.00 C ATOM 1272 CG PRO A 86 13.900 12.316 2.658 1.00 0.00 C ATOM 1273 CD PRO A 86 14.378 10.862 2.463 1.00 0.00 C ATOM 0 HA PRO A 86 12.914 10.704 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.320 13.014 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.867 12.790 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.213 12.607 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.741 13.008 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.091 10.476 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.463 10.787 2.530 1.00 0.00 H new ATOM 1281 N ARG A 87 10.450 11.009 4.955 1.00 0.00 N ATOM 1282 CA ARG A 87 9.008 10.820 4.675 1.00 0.00 C ATOM 1283 C ARG A 87 8.717 11.344 3.275 1.00 0.00 C ATOM 1284 O ARG A 87 7.796 10.920 2.609 1.00 0.00 O ATOM 1285 CB ARG A 87 8.192 11.647 5.664 1.00 0.00 C ATOM 1286 CG ARG A 87 8.481 11.188 7.089 1.00 0.00 C ATOM 1287 CD ARG A 87 7.239 10.514 7.673 1.00 0.00 C ATOM 1288 NE ARG A 87 6.213 11.550 7.984 1.00 0.00 N ATOM 1289 CZ ARG A 87 6.022 11.928 9.218 1.00 0.00 C ATOM 1290 NH1 ARG A 87 7.038 12.266 9.963 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.813 11.967 9.709 1.00 0.00 N ATOM 0 H ARG A 87 10.667 11.394 5.874 1.00 0.00 H new ATOM 0 HA ARG A 87 8.750 9.764 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.437 12.704 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.129 11.543 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.321 10.493 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.768 12.040 7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.837 9.790 6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.501 9.964 8.576 1.00 0.00 H new ATOM 0 HE ARG A 87 5.661 11.963 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.983 12.235 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.887 12.561 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.018 11.702 9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.664 12.263 10.674 1.00 0.00 H new ATOM 1305 N GLN A 88 9.494 12.299 2.849 1.00 0.00 N ATOM 1306 CA GLN A 88 9.285 12.917 1.507 1.00 0.00 C ATOM 1307 C GLN A 88 9.267 11.854 0.402 1.00 0.00 C ATOM 1308 O GLN A 88 8.287 11.693 -0.302 1.00 0.00 O ATOM 1309 CB GLN A 88 10.419 13.906 1.234 1.00 0.00 C ATOM 1310 CG GLN A 88 10.361 14.366 -0.224 1.00 0.00 C ATOM 1311 CD GLN A 88 11.357 15.507 -0.437 1.00 0.00 C ATOM 1312 OE1 GLN A 88 12.038 15.914 0.483 1.00 0.00 O ATOM 1313 NE2 GLN A 88 11.471 16.047 -1.619 1.00 0.00 N ATOM 0 H GLN A 88 10.276 12.684 3.379 1.00 0.00 H new ATOM 0 HA GLN A 88 8.322 13.427 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.334 14.765 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.381 13.437 1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.596 13.535 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.353 14.698 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.900 15.706 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.131 16.810 -1.770 1.00 0.00 H new ATOM 1322 N VAL A 89 10.345 11.142 0.228 1.00 0.00 N ATOM 1323 CA VAL A 89 10.399 10.115 -0.840 1.00 0.00 C ATOM 1324 C VAL A 89 9.300 9.082 -0.624 1.00 0.00 C ATOM 1325 O VAL A 89 8.652 8.642 -1.553 1.00 0.00 O ATOM 1326 CB VAL A 89 11.762 9.449 -0.777 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.876 8.393 -1.874 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.828 10.514 -0.971 1.00 0.00 C ATOM 0 H VAL A 89 11.195 11.231 0.785 1.00 0.00 H new ATOM 0 HA VAL A 89 10.248 10.573 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 89 11.894 8.961 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.856 7.919 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.101 7.639 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.752 8.866 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.815 10.053 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.692 10.992 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.743 11.262 -0.183 1.00 0.00 H new ATOM 1338 N GLN A 90 9.080 8.700 0.596 1.00 0.00 N ATOM 1339 CA GLN A 90 8.015 7.699 0.870 1.00 0.00 C ATOM 1340 C GLN A 90 6.668 8.290 0.457 1.00 0.00 C ATOM 1341 O GLN A 90 5.742 7.580 0.116 1.00 0.00 O ATOM 1342 CB GLN A 90 7.999 7.364 2.362 1.00 0.00 C ATOM 1343 CG GLN A 90 8.445 5.914 2.559 1.00 0.00 C ATOM 1344 CD GLN A 90 9.963 5.819 2.383 1.00 0.00 C ATOM 1345 OE1 GLN A 90 10.446 5.038 1.588 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.740 6.586 3.098 1.00 0.00 N ATOM 0 H GLN A 90 9.588 9.034 1.415 1.00 0.00 H new ATOM 0 HA GLN A 90 8.206 6.787 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.662 8.038 2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.998 7.507 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.161 5.567 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.943 5.267 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.335 7.242 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.753 6.530 2.989 1.00 0.00 H new ATOM 1355 N ARG A 91 6.556 9.589 0.481 1.00 0.00 N ATOM 1356 CA ARG A 91 5.274 10.235 0.085 1.00 0.00 C ATOM 1357 C ARG A 91 5.159 10.265 -1.442 1.00 0.00 C ATOM 1358 O ARG A 91 4.077 10.202 -1.990 1.00 0.00 O ATOM 1359 CB ARG A 91 5.223 11.663 0.634 1.00 0.00 C ATOM 1360 CG ARG A 91 3.791 12.190 0.547 1.00 0.00 C ATOM 1361 CD ARG A 91 3.247 12.422 1.957 1.00 0.00 C ATOM 1362 NE ARG A 91 2.138 11.462 2.222 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.128 11.818 2.968 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.339 12.323 4.154 1.00 0.00 N ATOM 1365 NH2 ARG A 91 -0.092 11.669 2.530 1.00 0.00 N ATOM 0 H ARG A 91 7.298 10.232 0.758 1.00 0.00 H new ATOM 0 HA ARG A 91 4.443 9.662 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.566 11.679 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.894 12.307 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.768 13.120 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.161 11.477 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.041 12.290 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.888 13.446 2.057 1.00 0.00 H new ATOM 0 HE ARG A 91 2.168 10.525 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.293 12.439 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.550 12.601 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.257 11.274 1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.881 11.947 3.114 1.00 0.00 H new ATOM 1379 N ALA A 92 6.264 10.362 -2.137 1.00 0.00 N ATOM 1380 CA ALA A 92 6.204 10.394 -3.626 1.00 0.00 C ATOM 1381 C ALA A 92 5.872 8.997 -4.153 1.00 0.00 C ATOM 1382 O ALA A 92 5.074 8.838 -5.055 1.00 0.00 O ATOM 1383 CB ALA A 92 7.556 10.847 -4.182 1.00 0.00 C ATOM 0 H ALA A 92 7.201 10.420 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 92 5.431 11.093 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.512 10.870 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.788 11.844 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.332 10.150 -3.865 1.00 0.00 H new ATOM 1389 N PHE A 93 6.483 7.984 -3.600 1.00 0.00 N ATOM 1390 CA PHE A 93 6.205 6.593 -4.065 1.00 0.00 C ATOM 1391 C PHE A 93 4.876 6.098 -3.484 1.00 0.00 C ATOM 1392 O PHE A 93 4.235 5.228 -4.037 1.00 0.00 O ATOM 1393 CB PHE A 93 7.321 5.664 -3.596 1.00 0.00 C ATOM 1394 CG PHE A 93 6.952 4.237 -3.929 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.074 3.527 -3.101 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.488 3.626 -5.068 1.00 0.00 C ATOM 1397 CE1 PHE A 93 5.733 2.205 -3.414 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.148 2.304 -5.381 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.270 1.594 -4.554 1.00 0.00 C ATOM 0 H PHE A 93 7.164 8.059 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 93 6.150 6.593 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.261 5.932 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.473 5.772 -2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.660 3.998 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.165 4.175 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.056 1.657 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.563 1.833 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.007 0.575 -4.795 1.00 0.00 H new ATOM 1409 N ALA A 94 4.475 6.636 -2.362 1.00 0.00 N ATOM 1410 CA ALA A 94 3.202 6.198 -1.718 1.00 0.00 C ATOM 1411 C ALA A 94 2.130 5.897 -2.772 1.00 0.00 C ATOM 1412 O ALA A 94 1.554 4.827 -2.770 1.00 0.00 O ATOM 1413 CB ALA A 94 2.701 7.300 -0.785 1.00 0.00 C ATOM 0 H ALA A 94 4.980 7.367 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 94 3.396 5.287 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.771 6.982 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.450 7.495 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.525 8.210 -1.359 1.00 0.00 H new ATOM 1419 N PRO A 95 1.887 6.845 -3.641 1.00 0.00 N ATOM 1420 CA PRO A 95 0.881 6.694 -4.705 1.00 0.00 C ATOM 1421 C PRO A 95 1.397 5.749 -5.794 1.00 0.00 C ATOM 1422 O PRO A 95 2.479 5.208 -5.694 1.00 0.00 O ATOM 1423 CB PRO A 95 0.688 8.120 -5.230 1.00 0.00 C ATOM 1424 CG PRO A 95 1.959 8.905 -4.834 1.00 0.00 C ATOM 1425 CD PRO A 95 2.592 8.145 -3.651 1.00 0.00 C ATOM 0 HA PRO A 95 -0.056 6.258 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.552 8.121 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.202 8.577 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.654 8.967 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.711 9.928 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.666 8.016 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.453 8.681 -2.712 1.00 0.00 H new ATOM 1433 N LYS A 96 0.625 5.533 -6.823 1.00 0.00 N ATOM 1434 CA LYS A 96 1.069 4.609 -7.903 1.00 0.00 C ATOM 1435 C LYS A 96 1.027 3.172 -7.373 1.00 0.00 C ATOM 1436 O LYS A 96 1.736 2.304 -7.843 1.00 0.00 O ATOM 1437 CB LYS A 96 2.498 4.956 -8.331 1.00 0.00 C ATOM 1438 CG LYS A 96 2.627 6.471 -8.504 1.00 0.00 C ATOM 1439 CD LYS A 96 2.517 6.827 -9.988 1.00 0.00 C ATOM 1440 CE LYS A 96 1.400 7.854 -10.187 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.997 9.198 -10.431 1.00 0.00 N ATOM 0 H LYS A 96 -0.293 5.956 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 96 0.408 4.708 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.208 4.603 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.742 4.451 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.847 6.980 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.583 6.813 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.464 7.230 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.310 5.931 -10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.772 7.565 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.758 7.884 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.238 9.896 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.579 9.473 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.592 9.164 -11.283 1.00 0.00 H new ATOM 1455 N LEU A 97 0.210 2.924 -6.385 1.00 0.00 N ATOM 1456 CA LEU A 97 0.125 1.549 -5.801 1.00 0.00 C ATOM 1457 C LEU A 97 -0.605 0.597 -6.761 1.00 0.00 C ATOM 1458 O LEU A 97 -0.003 -0.296 -7.328 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.630 1.603 -4.472 1.00 0.00 C ATOM 1460 CG LEU A 97 -0.480 0.264 -3.747 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.933 0.147 -3.171 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -1.499 0.183 -2.608 1.00 0.00 C ATOM 0 H LEU A 97 -0.405 3.615 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 97 1.137 1.178 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.240 2.410 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.684 1.817 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.654 -0.549 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.038 -0.807 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.661 0.204 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.108 0.961 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.392 -0.771 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.325 0.998 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.507 0.264 -3.015 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.894 0.758 -6.950 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.632 -0.159 -7.867 1.00 0.00 C ATOM 1476 C VAL A 98 -2.412 0.238 -9.331 1.00 0.00 C ATOM 1477 O VAL A 98 -3.238 -0.030 -10.181 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.124 -0.103 -7.554 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.316 -0.086 -6.042 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.744 1.164 -8.153 1.00 0.00 C ATOM 0 H VAL A 98 -2.462 1.482 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.254 -1.170 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.612 -0.977 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.380 -0.046 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.885 -0.989 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.820 0.789 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.809 1.192 -7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.258 2.043 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.607 1.160 -9.234 1.00 0.00 H new ATOM 1490 N THR A 99 -1.320 0.864 -9.645 1.00 0.00 N ATOM 1491 CA THR A 99 -1.085 1.241 -11.061 1.00 0.00 C ATOM 1492 C THR A 99 -0.062 0.280 -11.666 1.00 0.00 C ATOM 1493 O THR A 99 0.489 -0.553 -10.976 1.00 0.00 O ATOM 1494 CB THR A 99 -0.548 2.671 -11.137 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.844 2.667 -10.857 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.272 3.542 -10.113 1.00 0.00 C ATOM 0 H THR A 99 -0.585 1.130 -8.990 1.00 0.00 H new ATOM 0 HA THR A 99 -2.023 1.184 -11.614 1.00 0.00 H new ATOM 0 HB THR A 99 -0.717 3.071 -12.137 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.990 2.392 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.889 4.561 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.341 3.544 -10.328 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.103 3.144 -9.112 1.00 0.00 H new ATOM 1504 N GLU A 100 0.199 0.371 -12.945 1.00 0.00 N ATOM 1505 CA GLU A 100 1.188 -0.559 -13.563 1.00 0.00 C ATOM 1506 C GLU A 100 2.583 -0.445 -12.902 1.00 0.00 C ATOM 1507 O GLU A 100 3.496 -1.146 -13.292 1.00 0.00 O ATOM 1508 CB GLU A 100 1.316 -0.235 -15.053 1.00 0.00 C ATOM 1509 CG GLU A 100 0.711 -1.373 -15.878 1.00 0.00 C ATOM 1510 CD GLU A 100 0.664 -0.964 -17.351 1.00 0.00 C ATOM 1511 OE1 GLU A 100 0.742 0.225 -17.618 1.00 0.00 O ATOM 1512 OE2 GLU A 100 0.550 -1.845 -18.186 1.00 0.00 O ATOM 0 H GLU A 100 -0.227 1.044 -13.583 1.00 0.00 H new ATOM 0 HA GLU A 100 0.828 -1.577 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.806 0.702 -15.277 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.365 -0.098 -15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.306 -2.279 -15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.293 -1.602 -15.521 1.00 0.00 H new ATOM 1519 N VAL A 101 2.786 0.417 -11.925 1.00 0.00 N ATOM 1520 CA VAL A 101 4.140 0.518 -11.311 1.00 0.00 C ATOM 1521 C VAL A 101 4.197 -0.282 -10.005 1.00 0.00 C ATOM 1522 O VAL A 101 5.180 -0.238 -9.292 1.00 0.00 O ATOM 1523 CB VAL A 101 4.454 1.984 -11.019 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.960 2.151 -10.814 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.001 2.849 -12.198 1.00 0.00 C ATOM 0 H VAL A 101 2.080 1.042 -11.537 1.00 0.00 H new ATOM 0 HA VAL A 101 4.874 0.110 -12.006 1.00 0.00 H new ATOM 0 HB VAL A 101 3.927 2.295 -10.117 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.185 3.197 -10.606 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.283 1.536 -9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.487 1.839 -11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.225 3.895 -11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.527 2.538 -13.101 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.927 2.730 -12.345 1.00 0.00 H new ATOM 1535 N GLU A 102 3.164 -1.013 -9.675 1.00 0.00 N ATOM 1536 CA GLU A 102 3.202 -1.797 -8.407 1.00 0.00 C ATOM 1537 C GLU A 102 2.444 -3.121 -8.574 1.00 0.00 C ATOM 1538 O GLU A 102 3.015 -4.125 -8.953 1.00 0.00 O ATOM 1539 CB GLU A 102 2.575 -0.974 -7.276 1.00 0.00 C ATOM 1540 CG GLU A 102 3.668 -0.544 -6.294 1.00 0.00 C ATOM 1541 CD GLU A 102 4.179 -1.771 -5.537 1.00 0.00 C ATOM 1542 OE1 GLU A 102 4.240 -2.830 -6.140 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.499 -1.631 -4.368 1.00 0.00 O ATOM 0 H GLU A 102 2.307 -1.100 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 102 4.240 -2.020 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.073 -0.097 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.818 -1.563 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.488 -0.066 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.274 0.192 -5.593 1.00 0.00 H new ATOM 1550 N CYS A 103 1.169 -3.141 -8.285 1.00 0.00 N ATOM 1551 CA CYS A 103 0.388 -4.407 -8.419 1.00 0.00 C ATOM 1552 C CYS A 103 -1.038 -4.074 -8.881 1.00 0.00 C ATOM 1553 O CYS A 103 -1.998 -4.635 -8.392 1.00 0.00 O ATOM 1554 CB CYS A 103 0.324 -5.099 -7.056 1.00 0.00 C ATOM 1555 SG CYS A 103 2.001 -5.307 -6.405 1.00 0.00 S ATOM 0 H CYS A 103 0.634 -2.335 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 103 0.867 -5.062 -9.147 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.275 -4.508 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.163 -6.069 -7.151 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.182 -3.145 -9.799 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.537 -2.744 -10.282 1.00 0.00 C ATOM 1562 C ASN A 104 -3.514 -3.920 -10.287 1.00 0.00 C ATOM 1563 O ASN A 104 -4.225 -4.137 -9.329 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.418 -2.178 -11.699 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.813 -1.900 -12.260 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.673 -1.398 -11.564 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -4.074 -2.207 -13.501 1.00 0.00 N ATOM 0 H ASN A 104 -0.408 -2.645 -10.236 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.928 -1.990 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.831 -1.260 -11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.891 -2.885 -12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.000 -2.026 -13.887 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.352 -2.628 -14.085 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.580 -4.646 -11.373 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.543 -5.785 -11.479 1.00 0.00 C ATOM 1576 C LEU A 105 -5.887 -5.231 -11.940 1.00 0.00 C ATOM 1577 O LEU A 105 -6.340 -5.495 -13.036 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.718 -6.496 -10.128 1.00 0.00 C ATOM 1579 CG LEU A 105 -3.349 -6.787 -9.508 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -3.461 -6.730 -7.982 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.890 -8.185 -9.930 1.00 0.00 C ATOM 0 H LEU A 105 -3.002 -4.497 -12.200 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.157 -6.514 -12.192 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.307 -5.874 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.269 -7.426 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.627 -6.045 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.487 -6.937 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.795 -5.738 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.181 -7.475 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.915 -8.396 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.612 -8.925 -9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.816 -8.231 -11.016 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.506 -4.451 -11.105 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.824 -3.837 -11.451 1.00 0.00 C ATOM 1595 C ALA A 106 -8.580 -3.496 -10.163 1.00 0.00 C ATOM 1596 O ALA A 106 -8.950 -4.371 -9.404 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.657 -4.823 -12.273 1.00 0.00 C ATOM 0 H ALA A 106 -6.152 -4.206 -10.180 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.654 -2.931 -12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.616 -4.370 -12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.124 -5.072 -13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.824 -5.730 -11.693 1.00 0.00 H new ATOM 1603 N THR A 107 -8.814 -2.236 -9.908 1.00 0.00 N ATOM 1604 CA THR A 107 -9.549 -1.854 -8.668 1.00 0.00 C ATOM 1605 C THR A 107 -11.055 -1.927 -8.955 1.00 0.00 C ATOM 1606 O THR A 107 -11.477 -2.544 -9.913 1.00 0.00 O ATOM 1607 CB THR A 107 -9.166 -0.422 -8.270 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.951 0.501 -9.005 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.698 -0.179 -8.606 1.00 0.00 C ATOM 0 H THR A 107 -8.529 -1.458 -10.503 1.00 0.00 H new ATOM 0 HA THR A 107 -9.292 -2.530 -7.852 1.00 0.00 H new ATOM 0 HB THR A 107 -9.336 -0.291 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.449 1.334 -9.127 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.424 0.838 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.077 -0.888 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.543 -0.313 -9.677 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.871 -1.308 -8.144 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.345 -1.354 -8.394 1.00 0.00 C ATOM 1619 C ILE A 108 -13.687 -0.460 -9.590 1.00 0.00 C ATOM 1620 O ILE A 108 -14.749 -0.560 -10.174 1.00 0.00 O ATOM 1621 CB ILE A 108 -14.089 -0.857 -7.154 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.582 -1.165 -7.298 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.893 0.652 -7.013 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.839 -2.633 -6.948 1.00 0.00 C ATOM 0 H ILE A 108 -11.585 -0.775 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.646 -2.379 -8.609 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.697 -1.359 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.162 -0.517 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.909 -0.961 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -14.423 1.007 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.830 0.873 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -14.285 1.154 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.902 -2.851 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.270 -3.273 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.528 -2.822 -5.921 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.790 0.415 -9.954 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.033 1.330 -11.108 1.00 0.00 C ATOM 1638 C HIS A 109 -12.769 0.601 -12.433 1.00 0.00 C ATOM 1639 O HIS A 109 -12.615 1.225 -13.464 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.083 2.520 -10.991 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.385 3.283 -9.735 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -13.228 4.382 -9.715 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -11.953 3.118 -8.447 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -13.276 4.831 -8.448 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -12.515 4.096 -7.633 1.00 0.00 N ATOM 0 H HIS A 109 -11.887 0.537 -9.495 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.070 1.665 -11.094 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.050 2.173 -10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.190 3.171 -11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.277 2.345 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -13.859 5.682 -8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -12.376 4.224 -6.631 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.708 -0.707 -12.421 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.449 -1.449 -13.688 1.00 0.00 C ATOM 1655 C GLY A 110 -11.330 -0.756 -14.461 1.00 0.00 C ATOM 1656 O GLY A 110 -11.250 -0.842 -15.670 1.00 0.00 O ATOM 0 H GLY A 110 -12.826 -1.289 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.170 -2.480 -13.468 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.355 -1.486 -14.293 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.463 -0.062 -13.774 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.352 0.639 -14.473 1.00 0.00 C ATOM 1662 C GLY A 111 -8.162 0.804 -13.521 1.00 0.00 C ATOM 1663 O GLY A 111 -8.261 0.509 -12.347 1.00 0.00 O ATOM 0 H GLY A 111 -10.477 0.049 -12.760 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.049 0.072 -15.354 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.688 1.615 -14.822 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.071 1.274 -14.068 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.824 1.501 -13.310 1.00 0.00 C ATOM 1669 C PRO A 112 -5.907 2.796 -12.494 1.00 0.00 C ATOM 1670 O PRO A 112 -5.409 3.827 -12.901 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.761 1.626 -14.408 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.507 2.020 -15.704 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.979 1.626 -15.502 1.00 0.00 C ATOM 0 HA PRO A 112 -5.613 0.707 -12.594 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.019 2.379 -14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.227 0.685 -14.539 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.415 3.089 -15.894 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.083 1.505 -16.566 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.649 2.448 -15.753 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.256 0.784 -16.137 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.521 2.753 -11.342 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.613 3.986 -10.508 1.00 0.00 C ATOM 1683 C PHE A 113 -7.605 3.785 -9.359 1.00 0.00 C ATOM 1684 O PHE A 113 -8.317 2.802 -9.293 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.062 5.177 -11.367 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.207 4.796 -12.289 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -8.930 3.610 -12.096 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.547 5.651 -13.348 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -9.985 3.283 -12.958 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.601 5.322 -14.209 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.321 4.138 -14.014 1.00 0.00 C ATOM 0 H PHE A 113 -6.960 1.923 -10.944 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.626 4.191 -10.094 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.372 5.998 -10.720 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.221 5.538 -11.959 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.673 2.948 -11.282 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.994 6.566 -13.500 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.540 2.369 -12.807 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.858 5.982 -15.024 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.135 3.884 -14.677 1.00 0.00 H new ATOM 1701 N CYS A 114 -7.657 4.720 -8.451 1.00 0.00 N ATOM 1702 CA CYS A 114 -8.606 4.598 -7.310 1.00 0.00 C ATOM 1703 C CYS A 114 -8.559 5.889 -6.473 1.00 0.00 C ATOM 1704 O CYS A 114 -7.515 6.495 -6.326 1.00 0.00 O ATOM 1705 CB CYS A 114 -8.244 3.354 -6.467 1.00 0.00 C ATOM 1706 SG CYS A 114 -7.319 3.774 -4.961 1.00 0.00 S ATOM 0 H CYS A 114 -7.083 5.563 -8.450 1.00 0.00 H new ATOM 0 HA CYS A 114 -9.625 4.467 -7.675 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -9.158 2.828 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -7.652 2.669 -7.073 1.00 0.00 H new ATOM 1711 N LEU A 115 -9.672 6.317 -5.924 1.00 0.00 N ATOM 1712 CA LEU A 115 -9.669 7.565 -5.109 1.00 0.00 C ATOM 1713 C LEU A 115 -8.814 8.628 -5.804 1.00 0.00 C ATOM 1714 O LEU A 115 -7.889 9.169 -5.231 1.00 0.00 O ATOM 1715 CB LEU A 115 -9.095 7.265 -3.724 1.00 0.00 C ATOM 1716 CG LEU A 115 -10.123 6.475 -2.914 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -9.490 5.998 -1.606 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -11.321 7.372 -2.601 1.00 0.00 C ATOM 0 H LEU A 115 -10.577 5.855 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.689 7.936 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.171 6.695 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.846 8.194 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.453 5.612 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.225 5.435 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.635 5.359 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.158 6.860 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.055 6.810 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.989 8.235 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.775 7.711 -3.532 1.00 0.00 H new ATOM 1730 N SER A 116 -9.116 8.926 -7.038 1.00 0.00 N ATOM 1731 CA SER A 116 -8.323 9.948 -7.775 1.00 0.00 C ATOM 1732 C SER A 116 -8.761 9.964 -9.241 1.00 0.00 C ATOM 1733 O SER A 116 -9.340 10.921 -9.717 1.00 0.00 O ATOM 1734 CB SER A 116 -6.838 9.599 -7.693 1.00 0.00 C ATOM 1735 OG SER A 116 -6.115 10.394 -8.623 1.00 0.00 O ATOM 0 H SER A 116 -9.879 8.505 -7.568 1.00 0.00 H new ATOM 0 HA SER A 116 -8.489 10.929 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.467 9.773 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.689 8.541 -7.909 1.00 0.00 H new ATOM 0 HG SER A 116 -5.162 10.173 -8.571 1.00 0.00 H new ATOM 1741 N LEU A 117 -8.491 8.910 -9.960 1.00 0.00 N ATOM 1742 CA LEU A 117 -8.893 8.859 -11.394 1.00 0.00 C ATOM 1743 C LEU A 117 -8.271 10.041 -12.142 1.00 0.00 C ATOM 1744 O LEU A 117 -8.777 10.468 -13.160 1.00 0.00 O ATOM 1745 CB LEU A 117 -10.416 8.943 -11.499 1.00 0.00 C ATOM 1746 CG LEU A 117 -10.996 7.533 -11.616 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -11.687 7.157 -10.306 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -12.014 7.494 -12.757 1.00 0.00 C ATOM 0 H LEU A 117 -8.008 8.080 -9.616 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.546 7.924 -11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.825 9.445 -10.622 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.699 9.538 -12.367 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.193 6.825 -11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.101 6.152 -10.388 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.963 7.186 -9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -12.491 7.865 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -12.428 6.489 -12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -12.817 8.201 -12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.523 7.764 -13.692 1.00 0.00 H new ATOM 1760 N LEU A 118 -7.183 10.576 -11.642 1.00 0.00 N ATOM 1761 CA LEU A 118 -6.521 11.735 -12.321 1.00 0.00 C ATOM 1762 C LEU A 118 -7.361 13.025 -12.227 1.00 0.00 C ATOM 1763 O LEU A 118 -6.867 14.103 -12.495 1.00 0.00 O ATOM 1764 CB LEU A 118 -6.262 11.405 -13.795 1.00 0.00 C ATOM 1765 CG LEU A 118 -4.972 10.593 -13.923 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -5.318 9.120 -14.154 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -4.158 11.113 -15.110 1.00 0.00 C ATOM 0 H LEU A 118 -6.723 10.258 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.577 11.911 -11.805 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.100 10.841 -14.204 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.183 12.324 -14.375 1.00 0.00 H new ATOM 0 HG LEU A 118 -4.388 10.693 -13.008 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -4.399 8.540 -14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.900 8.747 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -5.901 9.022 -15.070 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.239 10.535 -15.202 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.743 11.012 -16.024 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.912 12.163 -14.950 1.00 0.00 H new ATOM 1779 N GLY A 119 -8.612 12.945 -11.856 1.00 0.00 N ATOM 1780 CA GLY A 119 -9.442 14.179 -11.758 1.00 0.00 C ATOM 1781 C GLY A 119 -10.813 13.815 -11.183 1.00 0.00 C ATOM 1782 O GLY A 119 -11.105 12.662 -10.938 1.00 0.00 O ATOM 0 H GLY A 119 -9.094 12.078 -11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.950 14.914 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.556 14.635 -12.741 1.00 0.00 H new ATOM 1786 N ALA A 120 -11.658 14.786 -10.963 1.00 0.00 N ATOM 1787 CA ALA A 120 -13.004 14.483 -10.402 1.00 0.00 C ATOM 1788 C ALA A 120 -14.062 15.300 -11.141 1.00 0.00 C ATOM 1789 O ALA A 120 -14.702 16.164 -10.576 1.00 0.00 O ATOM 1790 CB ALA A 120 -13.032 14.841 -8.918 1.00 0.00 C ATOM 0 H ALA A 120 -11.475 15.772 -11.147 1.00 0.00 H new ATOM 0 HA ALA A 120 -13.214 13.420 -10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -14.017 14.619 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -12.279 14.257 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.819 15.903 -8.796 1.00 0.00 H new ATOM 1796 N GLY A 121 -14.251 15.031 -12.401 1.00 0.00 N ATOM 1797 CA GLY A 121 -15.270 15.789 -13.180 1.00 0.00 C ATOM 1798 C GLY A 121 -16.658 15.511 -12.603 1.00 0.00 C ATOM 1799 O GLY A 121 -17.613 16.202 -12.898 1.00 0.00 O ATOM 0 H GLY A 121 -13.744 14.319 -12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -15.054 16.857 -13.140 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -15.234 15.496 -14.229 1.00 0.00 H new ATOM 1803 N GLU A 122 -16.778 14.503 -11.783 1.00 0.00 N ATOM 1804 CA GLU A 122 -18.104 14.177 -11.186 1.00 0.00 C ATOM 1805 C GLU A 122 -18.607 15.372 -10.374 1.00 0.00 C ATOM 1806 O GLU A 122 -17.822 16.276 -10.140 1.00 0.00 O ATOM 1807 CB GLU A 122 -17.965 12.960 -10.268 1.00 0.00 C ATOM 1808 CG GLU A 122 -18.977 11.890 -10.681 1.00 0.00 C ATOM 1809 CD GLU A 122 -19.225 10.941 -9.506 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -18.441 10.969 -8.572 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -20.194 10.203 -9.561 1.00 0.00 O ATOM 1812 OXT GLU A 122 -19.768 15.362 -9.998 1.00 0.00 O ATOM 0 H GLU A 122 -16.013 13.890 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 122 -18.815 13.954 -11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -16.953 12.560 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -18.132 13.252 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -19.912 12.358 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -18.603 11.333 -11.540 1.00 0.00 H new TER 1819 GLU A 122