USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 855 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 21 ASN : amide:sc= -2.32! C(o=-2.3!,f=-15!) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0.00132 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -4.92! C(o=-4.1!,f=-24!) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.781 USER MOD Set 3.1: A 35 THR OG1 : rot 24:sc= 1.82 USER MOD Set 3.2: A 82 LYS NZ :NH3+ 145:sc= -0.893! (180deg=-1.68!) USER MOD Set 4.1: A 30 CYS SG : rot -42:sc= -0.0156 USER MOD Set 4.2: A 81 LYS NZ :NH3+ 162:sc= 1.04! (180deg=-0.921!) USER MOD Set 5.1: A 71 HIS : no HE2:sc= -10.1! C(o=-10!,f=-15!) USER MOD Set 5.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 60 SER OG : rot -178:sc= 0.697 USER MOD Set 6.2: A 72 HIS : no HD1:sc= -7.7! C(o=-7!,f=-24!) USER MOD Single : A 5 SER OG : rot -23:sc= 0.759 USER MOD Single : A 8 THR OG1 : rot 31:sc= 0.182 USER MOD Single : A 9 GLN : amide:sc= -2.39 K(o=-2.4,f=-0.1) USER MOD Single : A 12 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.6!) USER MOD Single : A 16 SER OG : rot -94:sc= 0.721 USER MOD Single : A 17 MET CE :methyl -170:sc= 0 (180deg=-0.309) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= -0.115 (180deg=-0.389) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 103:sc= 1.11 USER MOD Single : A 29 GLN : amide:sc= 0.932 K(o=0.93,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= -0.11 (180deg=-3.69!) USER MOD Single : A 43 TYR OH : rot -48:sc= 1.18 USER MOD Single : A 61 THR OG1 : rot 53:sc= -2.01! USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 0.557 (180deg=0.486) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= 0.755 (180deg=-0.421!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 142:sc= -2.36 (180deg=-3.94!) USER MOD Single : A 77 HIS : no HD1:sc= -3.61 K(o=-3.6,f=-5.3!) USER MOD Single : A 80 SER OG : rot 75:sc= -1.19 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 0.69 (180deg=0.14) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.421 USER MOD Single : A 99 GLN : amide:sc= -2.39 K(o=-2.4,f=-8.6!) USER MOD Single : A 104 ASN : amide:sc= -3.51 K(o=-3.5,f=-4.9!) USER MOD Single : A 105 MET CE :methyl 159:sc= -4.5! (180deg=-6.66!) USER MOD Single : A 113 LYS NZ :NH3+ -135:sc= -0.123 (180deg=-0.82) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 150:sc= -0.0831 (180deg=-0.615) USER MOD Single : A 121 LYS NZ :NH3+ 169:sc= -1.32 (180deg=-1.51!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 2.005 -1.607 16.672 1.00 0.00 N ATOM 43 CA SER A 5 1.062 -0.909 15.811 1.00 0.00 C ATOM 44 C SER A 5 1.725 -0.441 14.525 1.00 0.00 C ATOM 45 O SER A 5 1.151 0.346 13.771 1.00 0.00 O ATOM 46 CB SER A 5 0.467 0.277 16.572 1.00 0.00 C ATOM 47 OG SER A 5 1.430 0.755 17.517 1.00 0.00 O ATOM 0 HA SER A 5 0.266 -1.600 15.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.195 1.072 15.877 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.446 -0.025 17.085 1.00 0.00 H new ATOM 0 HG SER A 5 2.067 0.040 17.725 1.00 0.00 H new ATOM 53 N GLY A 6 2.958 -0.876 14.310 1.00 0.00 N ATOM 54 CA GLY A 6 3.735 -0.420 13.169 1.00 0.00 C ATOM 55 C GLY A 6 2.965 -0.572 11.871 1.00 0.00 C ATOM 56 O GLY A 6 2.764 0.404 11.157 1.00 0.00 O ATOM 0 H GLY A 6 3.441 -1.544 14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.009 0.626 13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.664 -0.988 13.110 1.00 0.00 H new ATOM 60 N ASP A 7 2.450 -1.767 11.607 1.00 0.00 N ATOM 61 CA ASP A 7 1.655 -1.989 10.395 1.00 0.00 C ATOM 62 C ASP A 7 0.475 -1.047 10.367 1.00 0.00 C ATOM 63 O ASP A 7 0.208 -0.407 9.359 1.00 0.00 O ATOM 64 CB ASP A 7 1.141 -3.430 10.334 1.00 0.00 C ATOM 65 CG ASP A 7 0.579 -3.824 11.677 1.00 0.00 C ATOM 66 OD1 ASP A 7 1.339 -4.295 12.494 1.00 0.00 O ATOM 67 OD2 ASP A 7 -0.599 -3.627 11.890 1.00 0.00 O ATOM 0 H ASP A 7 2.563 -2.588 12.202 1.00 0.00 H new ATOM 0 HA ASP A 7 2.299 -1.803 9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.373 -3.520 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.951 -4.104 10.055 1.00 0.00 H new ATOM 72 N THR A 8 -0.205 -0.936 11.483 1.00 0.00 N ATOM 73 CA THR A 8 -1.349 -0.053 11.581 1.00 0.00 C ATOM 74 C THR A 8 -0.898 1.379 11.325 1.00 0.00 C ATOM 75 O THR A 8 -1.474 2.092 10.489 1.00 0.00 O ATOM 76 CB THR A 8 -1.968 -0.186 12.974 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.390 -1.535 13.166 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.180 0.736 13.097 1.00 0.00 C ATOM 0 H THR A 8 0.012 -1.446 12.339 1.00 0.00 H new ATOM 0 HA THR A 8 -2.100 -0.322 10.838 1.00 0.00 H new ATOM 0 HB THR A 8 -1.228 0.090 13.725 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.807 -2.136 12.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.615 0.635 14.092 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.869 1.769 12.940 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.923 0.463 12.347 1.00 0.00 H new ATOM 86 N GLN A 9 0.198 1.756 11.959 1.00 0.00 N ATOM 87 CA GLN A 9 0.772 3.067 11.750 1.00 0.00 C ATOM 88 C GLN A 9 1.188 3.217 10.306 1.00 0.00 C ATOM 89 O GLN A 9 0.846 4.198 9.647 1.00 0.00 O ATOM 90 CB GLN A 9 2.001 3.245 12.648 1.00 0.00 C ATOM 91 CG GLN A 9 1.572 3.635 14.063 1.00 0.00 C ATOM 92 CD GLN A 9 1.293 5.133 14.139 1.00 0.00 C ATOM 93 OE1 GLN A 9 1.294 5.715 15.228 1.00 0.00 O ATOM 94 NE2 GLN A 9 1.068 5.806 13.043 1.00 0.00 N ATOM 0 H GLN A 9 0.706 1.171 12.622 1.00 0.00 H new ATOM 0 HA GLN A 9 0.027 3.823 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.576 2.319 12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.654 4.013 12.234 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.679 3.077 14.346 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.354 3.367 14.774 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.067 5.328 12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.894 6.810 13.088 1.00 0.00 H new ATOM 103 N LEU A 10 1.892 2.224 9.805 1.00 0.00 N ATOM 104 CA LEU A 10 2.331 2.247 8.433 1.00 0.00 C ATOM 105 C LEU A 10 1.153 2.227 7.504 1.00 0.00 C ATOM 106 O LEU A 10 1.138 2.927 6.512 1.00 0.00 O ATOM 107 CB LEU A 10 3.268 1.096 8.120 1.00 0.00 C ATOM 108 CG LEU A 10 4.573 1.262 8.901 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.572 0.226 8.435 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.150 2.670 8.709 1.00 0.00 C ATOM 0 H LEU A 10 2.170 1.394 10.329 1.00 0.00 H new ATOM 0 HA LEU A 10 2.886 3.173 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.795 0.149 8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.475 1.065 7.050 1.00 0.00 H new ATOM 0 HG LEU A 10 4.367 1.122 9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.503 0.342 8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.169 -0.772 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.765 0.360 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.077 2.763 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.351 2.840 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.432 3.409 9.065 1.00 0.00 H new ATOM 122 N PHE A 11 0.158 1.436 7.837 1.00 0.00 N ATOM 123 CA PHE A 11 -1.046 1.370 7.040 1.00 0.00 C ATOM 124 C PHE A 11 -1.699 2.725 6.975 1.00 0.00 C ATOM 125 O PHE A 11 -2.013 3.225 5.893 1.00 0.00 O ATOM 126 CB PHE A 11 -2.016 0.360 7.650 1.00 0.00 C ATOM 127 CG PHE A 11 -3.372 0.486 6.991 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.551 0.110 5.656 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.450 0.986 7.724 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.802 0.236 5.061 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.703 1.110 7.128 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.882 0.736 5.797 1.00 0.00 C ATOM 0 H PHE A 11 0.159 0.828 8.656 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.784 1.054 6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.631 -0.651 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.106 0.531 8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.719 -0.278 5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.312 1.277 8.755 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.940 -0.053 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.536 1.496 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.853 0.832 5.334 1.00 0.00 H new ATOM 142 N ASN A 12 -1.843 3.346 8.124 1.00 0.00 N ATOM 143 CA ASN A 12 -2.450 4.660 8.190 1.00 0.00 C ATOM 144 C ASN A 12 -1.597 5.631 7.409 1.00 0.00 C ATOM 145 O ASN A 12 -2.093 6.412 6.584 1.00 0.00 O ATOM 146 CB ASN A 12 -2.504 5.111 9.646 1.00 0.00 C ATOM 147 CG ASN A 12 -3.477 4.246 10.432 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.399 3.652 9.859 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.313 4.107 11.703 1.00 0.00 N ATOM 0 H ASN A 12 -1.550 2.966 9.024 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.457 4.626 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.511 5.048 10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.811 6.155 9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.943 3.508 12.236 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.553 4.596 12.176 1.00 0.00 H new ATOM 156 N ARG A 13 -0.302 5.526 7.618 1.00 0.00 N ATOM 157 CA ARG A 13 0.663 6.334 6.905 1.00 0.00 C ATOM 158 C ARG A 13 0.677 5.995 5.422 1.00 0.00 C ATOM 159 O ARG A 13 0.651 6.876 4.575 1.00 0.00 O ATOM 160 CB ARG A 13 2.036 6.107 7.533 1.00 0.00 C ATOM 161 CG ARG A 13 2.038 6.784 8.909 1.00 0.00 C ATOM 162 CD ARG A 13 3.307 6.447 9.687 1.00 0.00 C ATOM 163 NE ARG A 13 3.348 7.269 10.895 1.00 0.00 N ATOM 164 CZ ARG A 13 4.448 7.437 11.624 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.549 6.827 11.298 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.407 8.210 12.667 1.00 0.00 N ATOM 0 H ARG A 13 0.111 4.877 8.288 1.00 0.00 H new ATOM 0 HA ARG A 13 0.390 7.386 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.240 5.041 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.819 6.524 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.960 7.864 8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.164 6.463 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.320 5.389 9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.188 6.634 9.073 1.00 0.00 H new ATOM 0 HE ARG A 13 2.492 7.736 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.571 6.217 10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.390 6.958 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.538 8.680 12.919 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.244 8.347 13.234 1.00 0.00 H new ATOM 180 N ALA A 14 0.678 4.720 5.113 1.00 0.00 N ATOM 181 CA ALA A 14 0.694 4.271 3.728 1.00 0.00 C ATOM 182 C ALA A 14 -0.583 4.671 3.021 1.00 0.00 C ATOM 183 O ALA A 14 -0.544 5.244 1.931 1.00 0.00 O ATOM 184 CB ALA A 14 0.884 2.749 3.649 1.00 0.00 C ATOM 0 H ALA A 14 0.668 3.967 5.801 1.00 0.00 H new ATOM 0 HA ALA A 14 1.536 4.753 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.893 2.437 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.830 2.476 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.065 2.253 4.169 1.00 0.00 H new ATOM 190 N VAL A 15 -1.717 4.360 3.636 1.00 0.00 N ATOM 191 CA VAL A 15 -2.998 4.664 3.046 1.00 0.00 C ATOM 192 C VAL A 15 -3.193 6.172 2.892 1.00 0.00 C ATOM 193 O VAL A 15 -3.649 6.645 1.850 1.00 0.00 O ATOM 194 CB VAL A 15 -4.150 4.013 3.851 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.583 4.913 5.007 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.346 3.752 2.937 1.00 0.00 C ATOM 0 H VAL A 15 -1.767 3.897 4.544 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.018 4.234 2.045 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.787 3.069 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.393 4.434 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.738 5.078 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.927 5.870 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.151 3.294 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.693 4.695 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.049 3.081 2.131 1.00 0.00 H new ATOM 206 N SER A 16 -2.805 6.939 3.911 1.00 0.00 N ATOM 207 CA SER A 16 -2.980 8.379 3.841 1.00 0.00 C ATOM 208 C SER A 16 -2.226 8.953 2.671 1.00 0.00 C ATOM 209 O SER A 16 -2.754 9.775 1.924 1.00 0.00 O ATOM 210 CB SER A 16 -2.511 9.051 5.133 1.00 0.00 C ATOM 211 OG SER A 16 -1.297 8.452 5.575 1.00 0.00 O ATOM 0 H SER A 16 -2.379 6.594 4.771 1.00 0.00 H new ATOM 0 HA SER A 16 -4.044 8.575 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.361 10.118 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.277 8.954 5.903 1.00 0.00 H new ATOM 0 HG SER A 16 -1.498 7.745 6.223 1.00 0.00 H new ATOM 217 N MET A 17 -0.987 8.530 2.510 1.00 0.00 N ATOM 218 CA MET A 17 -0.184 9.077 1.456 1.00 0.00 C ATOM 219 C MET A 17 -0.760 8.707 0.095 1.00 0.00 C ATOM 220 O MET A 17 -0.860 9.558 -0.790 1.00 0.00 O ATOM 221 CB MET A 17 1.276 8.637 1.580 1.00 0.00 C ATOM 222 CG MET A 17 1.843 9.177 2.900 1.00 0.00 C ATOM 223 SD MET A 17 3.656 9.056 2.898 1.00 0.00 S ATOM 224 CE MET A 17 3.800 7.256 3.053 1.00 0.00 C ATOM 0 H MET A 17 -0.530 7.824 3.087 1.00 0.00 H new ATOM 0 HA MET A 17 -0.203 10.163 1.548 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.346 7.550 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.857 9.013 0.738 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.540 10.215 3.037 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.434 8.613 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.839 6.990 3.248 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.176 6.911 3.877 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.472 6.784 2.127 1.00 0.00 H new ATOM 234 N VAL A 18 -1.179 7.449 -0.065 1.00 0.00 N ATOM 235 CA VAL A 18 -1.762 7.017 -1.333 1.00 0.00 C ATOM 236 C VAL A 18 -3.139 7.615 -1.577 1.00 0.00 C ATOM 237 O VAL A 18 -3.429 8.061 -2.686 1.00 0.00 O ATOM 238 CB VAL A 18 -1.796 5.490 -1.476 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.373 4.939 -1.474 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.585 4.863 -0.328 1.00 0.00 C ATOM 0 H VAL A 18 -1.127 6.726 0.653 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.097 7.403 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.284 5.241 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.403 3.854 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.184 5.367 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.118 5.202 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.599 3.779 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.113 5.119 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.607 5.242 -0.339 1.00 0.00 H new ATOM 250 N GLU A 19 -3.994 7.629 -0.551 1.00 0.00 N ATOM 251 CA GLU A 19 -5.336 8.160 -0.737 1.00 0.00 C ATOM 252 C GLU A 19 -5.261 9.617 -1.083 1.00 0.00 C ATOM 253 O GLU A 19 -6.170 10.151 -1.689 1.00 0.00 O ATOM 254 CB GLU A 19 -6.183 8.060 0.521 1.00 0.00 C ATOM 255 CG GLU A 19 -6.529 6.624 0.894 1.00 0.00 C ATOM 256 CD GLU A 19 -7.364 6.641 2.176 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.574 7.729 2.722 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.800 5.599 2.586 1.00 0.00 O ATOM 0 H GLU A 19 -3.786 7.289 0.388 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.791 7.567 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.649 8.526 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.104 8.624 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.085 6.147 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.619 6.042 1.042 1.00 0.00 H new ATOM 265 N LYS A 20 -4.322 10.303 -0.464 1.00 0.00 N ATOM 266 CA LYS A 20 -4.271 11.749 -0.556 1.00 0.00 C ATOM 267 C LYS A 20 -3.313 12.188 -1.651 1.00 0.00 C ATOM 268 O LYS A 20 -3.269 13.365 -2.017 1.00 0.00 O ATOM 269 CB LYS A 20 -3.901 12.350 0.806 1.00 0.00 C ATOM 270 CG LYS A 20 -4.869 11.782 1.871 1.00 0.00 C ATOM 271 CD LYS A 20 -6.317 12.223 1.578 1.00 0.00 C ATOM 272 CE LYS A 20 -7.232 10.982 1.484 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.146 10.168 2.734 1.00 0.00 N ATOM 0 H LYS A 20 -3.586 9.885 0.106 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.258 12.123 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.870 12.104 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.971 13.437 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.809 10.694 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.571 12.127 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.671 12.888 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.354 12.785 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.263 11.295 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.942 10.374 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.742 9.321 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.159 9.881 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.477 10.735 3.541 1.00 0.00 H new ATOM 287 N ASN A 21 -2.653 11.218 -2.269 1.00 0.00 N ATOM 288 CA ASN A 21 -1.803 11.501 -3.416 1.00 0.00 C ATOM 289 C ASN A 21 -2.675 11.922 -4.587 1.00 0.00 C ATOM 290 O ASN A 21 -3.595 11.206 -4.976 1.00 0.00 O ATOM 291 CB ASN A 21 -0.962 10.268 -3.790 1.00 0.00 C ATOM 292 CG ASN A 21 -0.290 10.461 -5.152 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.964 10.690 -6.155 1.00 0.00 O ATOM 294 ND2 ASN A 21 0.999 10.382 -5.248 1.00 0.00 N ATOM 0 H ASN A 21 -2.689 10.235 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.116 12.309 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.204 10.094 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.597 9.383 -3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.452 10.510 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.562 10.192 -4.419 1.00 0.00 H new ATOM 301 N LYS A 22 -2.477 13.139 -5.050 1.00 0.00 N ATOM 302 CA LYS A 22 -3.332 13.709 -6.077 1.00 0.00 C ATOM 303 C LYS A 22 -3.377 12.833 -7.327 1.00 0.00 C ATOM 304 O LYS A 22 -4.449 12.608 -7.906 1.00 0.00 O ATOM 305 CB LYS A 22 -2.893 15.158 -6.411 1.00 0.00 C ATOM 306 CG LYS A 22 -1.796 15.186 -7.497 1.00 0.00 C ATOM 307 CD LYS A 22 -0.475 14.578 -6.970 1.00 0.00 C ATOM 308 CE LYS A 22 0.333 15.634 -6.199 1.00 0.00 C ATOM 309 NZ LYS A 22 1.786 15.383 -6.376 1.00 0.00 N ATOM 0 H LYS A 22 -1.730 13.756 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.347 13.747 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.756 15.731 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.524 15.644 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.132 14.630 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.624 16.213 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.692 13.731 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.115 14.197 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.081 16.632 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.075 15.601 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.328 16.100 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.022 14.437 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.027 15.436 -7.386 1.00 0.00 H new ATOM 323 N ASP A 23 -2.226 12.347 -7.754 1.00 0.00 N ATOM 324 CA ASP A 23 -2.167 11.527 -8.941 1.00 0.00 C ATOM 325 C ASP A 23 -2.925 10.236 -8.707 1.00 0.00 C ATOM 326 O ASP A 23 -3.775 9.848 -9.512 1.00 0.00 O ATOM 327 CB ASP A 23 -0.717 11.220 -9.317 1.00 0.00 C ATOM 328 CG ASP A 23 -0.653 10.775 -10.759 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.976 11.579 -11.611 1.00 0.00 O ATOM 330 OD2 ASP A 23 -0.290 9.654 -11.007 1.00 0.00 O ATOM 0 H ASP A 23 -1.328 12.506 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.626 12.074 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.097 12.105 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.319 10.441 -8.667 1.00 0.00 H new ATOM 335 N ILE A 24 -2.692 9.631 -7.552 1.00 0.00 N ATOM 336 CA ILE A 24 -3.410 8.421 -7.168 1.00 0.00 C ATOM 337 C ILE A 24 -4.893 8.717 -7.014 1.00 0.00 C ATOM 338 O ILE A 24 -5.727 7.996 -7.539 1.00 0.00 O ATOM 339 CB ILE A 24 -2.840 7.815 -5.877 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.426 7.287 -6.133 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.721 6.642 -5.435 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.764 6.921 -4.803 1.00 0.00 C ATOM 0 H ILE A 24 -2.013 9.956 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.279 7.685 -7.961 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.816 8.584 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.466 6.413 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.833 8.042 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.319 6.210 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.736 6.997 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.736 5.883 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.242 6.545 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.710 7.805 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.352 6.151 -4.304 1.00 0.00 H new ATOM 354 N ARG A 25 -5.222 9.829 -6.373 1.00 0.00 N ATOM 355 CA ARG A 25 -6.622 10.199 -6.227 1.00 0.00 C ATOM 356 C ARG A 25 -7.271 10.326 -7.566 1.00 0.00 C ATOM 357 O ARG A 25 -8.385 9.830 -7.786 1.00 0.00 O ATOM 358 CB ARG A 25 -6.771 11.511 -5.479 1.00 0.00 C ATOM 359 CG ARG A 25 -6.599 11.264 -3.991 1.00 0.00 C ATOM 360 CD ARG A 25 -6.761 12.570 -3.223 1.00 0.00 C ATOM 361 NE ARG A 25 -5.593 13.430 -3.385 1.00 0.00 N ATOM 362 CZ ARG A 25 -5.640 14.719 -3.057 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.771 15.236 -2.645 1.00 0.00 N ATOM 364 NH2 ARG A 25 -4.563 15.457 -3.132 1.00 0.00 N ATOM 0 H ARG A 25 -4.556 10.478 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.109 9.410 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.028 12.228 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.751 11.946 -5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.335 10.537 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.615 10.838 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.651 13.092 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.913 12.356 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.728 13.037 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.604 14.652 -2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.818 16.223 -2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.683 15.045 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.603 16.445 -2.880 1.00 0.00 H new ATOM 378 N SER A 26 -6.565 10.932 -8.468 1.00 0.00 N ATOM 379 CA SER A 26 -7.035 11.053 -9.808 1.00 0.00 C ATOM 380 C SER A 26 -7.198 9.652 -10.412 1.00 0.00 C ATOM 381 O SER A 26 -8.239 9.339 -11.003 1.00 0.00 O ATOM 382 CB SER A 26 -6.044 11.894 -10.585 1.00 0.00 C ATOM 383 OG SER A 26 -5.819 13.108 -9.858 1.00 0.00 O ATOM 0 H SER A 26 -5.652 11.354 -8.296 1.00 0.00 H new ATOM 0 HA SER A 26 -8.008 11.543 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.108 11.352 -10.718 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.430 12.113 -11.581 1.00 0.00 H new ATOM 0 HG SER A 26 -4.954 13.059 -9.400 1.00 0.00 H new ATOM 389 N LEU A 27 -6.239 8.761 -10.120 1.00 0.00 N ATOM 390 CA LEU A 27 -6.369 7.352 -10.511 1.00 0.00 C ATOM 391 C LEU A 27 -7.559 6.733 -9.790 1.00 0.00 C ATOM 392 O LEU A 27 -8.340 5.983 -10.377 1.00 0.00 O ATOM 393 CB LEU A 27 -5.105 6.551 -10.159 1.00 0.00 C ATOM 394 CG LEU A 27 -3.913 7.029 -10.992 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.639 6.332 -10.507 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.124 6.723 -12.481 1.00 0.00 C ATOM 0 H LEU A 27 -5.378 8.987 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.513 7.316 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.882 6.662 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.279 5.490 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.819 8.108 -10.870 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.790 6.672 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.469 6.574 -9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.750 5.253 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.263 7.073 -13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.238 5.648 -12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.022 7.231 -12.833 1.00 0.00 H new ATOM 408 N LEU A 28 -7.701 7.078 -8.516 1.00 0.00 N ATOM 409 CA LEU A 28 -8.779 6.556 -7.691 1.00 0.00 C ATOM 410 C LEU A 28 -10.096 7.246 -8.031 1.00 0.00 C ATOM 411 O LEU A 28 -11.134 6.992 -7.391 1.00 0.00 O ATOM 412 CB LEU A 28 -8.479 6.728 -6.182 1.00 0.00 C ATOM 413 CG LEU A 28 -7.226 5.937 -5.759 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.944 6.196 -4.275 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.441 4.434 -5.969 1.00 0.00 C ATOM 0 H LEU A 28 -7.077 7.722 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.862 5.490 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.336 7.785 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.336 6.391 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.384 6.264 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.058 5.639 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.775 7.261 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.798 5.873 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.545 3.892 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.288 4.100 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.643 4.239 -7.022 1.00 0.00 H new ATOM 427 N GLN A 29 -10.055 8.123 -9.031 1.00 0.00 N ATOM 428 CA GLN A 29 -11.240 8.851 -9.463 1.00 0.00 C ATOM 429 C GLN A 29 -11.859 9.567 -8.264 1.00 0.00 C ATOM 430 O GLN A 29 -13.086 9.633 -8.132 1.00 0.00 O ATOM 431 CB GLN A 29 -12.287 7.883 -10.080 1.00 0.00 C ATOM 432 CG GLN A 29 -11.625 6.607 -10.636 1.00 0.00 C ATOM 433 CD GLN A 29 -11.071 6.835 -12.033 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.775 7.339 -12.916 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.854 6.486 -12.296 1.00 0.00 N ATOM 0 H GLN A 29 -9.210 8.346 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.946 9.576 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.022 7.611 -9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.826 8.391 -10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.821 6.293 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.354 5.797 -10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.274 6.070 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.474 6.626 -13.232 1.00 0.00 H new ATOM 444 N CYS A 30 -11.007 10.009 -7.341 1.00 0.00 N ATOM 445 CA CYS A 30 -11.466 10.626 -6.089 1.00 0.00 C ATOM 446 C CYS A 30 -12.256 11.908 -6.345 1.00 0.00 C ATOM 447 O CYS A 30 -11.868 12.988 -5.893 1.00 0.00 O ATOM 448 CB CYS A 30 -10.278 10.902 -5.157 1.00 0.00 C ATOM 449 SG CYS A 30 -10.811 10.706 -3.437 1.00 0.00 S ATOM 0 H CYS A 30 -9.993 9.953 -7.433 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.138 9.919 -5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.461 10.215 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.899 11.911 -5.320 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.981 11.251 -3.280 1.00 0.00 H new ATOM 455 N ASP A 31 -13.344 11.783 -7.092 1.00 0.00 N ATOM 456 CA ASP A 31 -14.187 12.932 -7.429 1.00 0.00 C ATOM 457 C ASP A 31 -14.838 13.527 -6.203 1.00 0.00 C ATOM 458 O ASP A 31 -14.729 14.727 -5.952 1.00 0.00 O ATOM 459 CB ASP A 31 -15.281 12.515 -8.411 1.00 0.00 C ATOM 460 CG ASP A 31 -16.300 13.629 -8.537 1.00 0.00 C ATOM 461 OD1 ASP A 31 -15.949 14.675 -9.051 1.00 0.00 O ATOM 462 OD2 ASP A 31 -17.413 13.429 -8.106 1.00 0.00 O ATOM 0 H ASP A 31 -13.668 10.897 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.540 13.684 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.845 12.295 -9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.766 11.602 -8.065 1.00 0.00 H new ATOM 467 N ASP A 32 -15.529 12.684 -5.458 1.00 0.00 N ATOM 468 CA ASP A 32 -16.255 13.110 -4.263 1.00 0.00 C ATOM 469 C ASP A 32 -17.176 14.303 -4.555 1.00 0.00 C ATOM 470 O ASP A 32 -17.162 15.301 -3.825 1.00 0.00 O ATOM 471 CB ASP A 32 -15.294 13.425 -3.095 1.00 0.00 C ATOM 472 CG ASP A 32 -14.964 12.164 -2.314 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.877 11.505 -1.869 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.793 11.858 -2.175 1.00 0.00 O ATOM 0 H ASP A 32 -15.606 11.687 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.884 12.274 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.377 13.869 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.749 14.161 -2.432 1.00 0.00 H new ATOM 479 N GLY A 33 -17.940 14.228 -5.641 1.00 0.00 N ATOM 480 CA GLY A 33 -18.827 15.333 -6.014 1.00 0.00 C ATOM 481 C GLY A 33 -19.907 14.910 -7.012 1.00 0.00 C ATOM 482 O GLY A 33 -21.048 14.627 -6.620 1.00 0.00 O ATOM 0 H GLY A 33 -17.966 13.427 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.302 15.731 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.235 16.140 -6.446 1.00 0.00 H new ATOM 486 N ILE A 34 -19.554 14.845 -8.292 1.00 0.00 N ATOM 487 CA ILE A 34 -20.515 14.477 -9.328 1.00 0.00 C ATOM 488 C ILE A 34 -21.073 13.094 -9.087 1.00 0.00 C ATOM 489 O ILE A 34 -22.255 12.831 -9.329 1.00 0.00 O ATOM 490 CB ILE A 34 -19.895 14.590 -10.745 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.863 14.021 -11.794 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.566 13.843 -10.825 1.00 0.00 C ATOM 493 CD1 ILE A 34 -22.155 14.836 -11.814 1.00 0.00 C ATOM 0 H ILE A 34 -18.614 15.041 -8.636 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.341 15.186 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.715 15.646 -10.947 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.396 14.041 -12.779 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.085 12.978 -11.567 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -18.154 13.939 -11.830 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.867 14.266 -10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.727 12.789 -10.598 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.834 14.424 -12.561 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -22.627 14.794 -10.832 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.928 15.873 -12.063 1.00 0.00 H new ATOM 505 N THR A 35 -20.245 12.227 -8.588 1.00 0.00 N ATOM 506 CA THR A 35 -20.669 10.883 -8.280 1.00 0.00 C ATOM 507 C THR A 35 -20.959 10.766 -6.789 1.00 0.00 C ATOM 508 O THR A 35 -20.834 9.686 -6.199 1.00 0.00 O ATOM 509 CB THR A 35 -19.607 9.865 -8.769 1.00 0.00 C ATOM 510 OG1 THR A 35 -19.550 8.709 -7.933 1.00 0.00 O ATOM 511 CG2 THR A 35 -18.228 10.517 -8.840 1.00 0.00 C ATOM 0 H THR A 35 -19.265 12.422 -8.382 1.00 0.00 H new ATOM 0 HA THR A 35 -21.594 10.650 -8.808 1.00 0.00 H new ATOM 0 HB THR A 35 -19.908 9.545 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.405 8.600 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.497 9.786 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.258 11.356 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.943 10.875 -7.851 1.00 0.00 H new ATOM 519 N GLY A 36 -21.277 11.901 -6.171 1.00 0.00 N ATOM 520 CA GLY A 36 -21.503 11.948 -4.741 1.00 0.00 C ATOM 521 C GLY A 36 -20.177 11.809 -4.040 1.00 0.00 C ATOM 522 O GLY A 36 -19.134 11.696 -4.700 1.00 0.00 O ATOM 0 H GLY A 36 -21.383 12.798 -6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.981 12.888 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.177 11.147 -4.438 1.00 0.00 H new ATOM 526 N LYS A 37 -20.191 11.759 -2.725 1.00 0.00 N ATOM 527 CA LYS A 37 -18.955 11.549 -2.024 1.00 0.00 C ATOM 528 C LYS A 37 -18.887 10.118 -1.547 1.00 0.00 C ATOM 529 O LYS A 37 -19.614 9.725 -0.629 1.00 0.00 O ATOM 530 CB LYS A 37 -18.863 12.501 -0.821 1.00 0.00 C ATOM 531 CG LYS A 37 -18.681 13.958 -1.305 1.00 0.00 C ATOM 532 CD LYS A 37 -20.019 14.555 -1.788 1.00 0.00 C ATOM 533 CE LYS A 37 -21.014 14.657 -0.615 1.00 0.00 C ATOM 534 NZ LYS A 37 -21.252 16.085 -0.280 1.00 0.00 N ATOM 0 H LYS A 37 -21.020 11.858 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.122 11.750 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.766 12.422 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.026 12.214 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.280 14.566 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.953 13.987 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.850 15.542 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.439 13.932 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.955 14.175 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.621 14.131 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.924 16.149 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.353 16.532 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.646 16.575 -1.108 1.00 0.00 H new ATOM 548 N GLU A 38 -17.913 9.391 -2.058 1.00 0.00 N ATOM 549 CA GLU A 38 -17.603 8.060 -1.575 1.00 0.00 C ATOM 550 C GLU A 38 -16.571 8.146 -0.476 1.00 0.00 C ATOM 551 O GLU A 38 -15.687 9.000 -0.531 1.00 0.00 O ATOM 552 CB GLU A 38 -17.136 7.145 -2.711 1.00 0.00 C ATOM 553 CG GLU A 38 -17.986 5.871 -2.741 1.00 0.00 C ATOM 554 CD GLU A 38 -17.431 4.858 -1.757 1.00 0.00 C ATOM 555 OE1 GLU A 38 -17.621 5.045 -0.570 1.00 0.00 O ATOM 556 OE2 GLU A 38 -16.830 3.906 -2.204 1.00 0.00 O ATOM 0 H GLU A 38 -17.314 9.707 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.512 7.617 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.214 7.667 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.086 6.888 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.020 6.107 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.991 5.450 -3.746 1.00 0.00 H new ATOM 563 N ARG A 39 -16.564 7.186 0.406 1.00 0.00 N ATOM 564 CA ARG A 39 -15.536 7.132 1.421 1.00 0.00 C ATOM 565 C ARG A 39 -14.469 6.151 1.036 1.00 0.00 C ATOM 566 O ARG A 39 -14.753 5.042 0.602 1.00 0.00 O ATOM 567 CB ARG A 39 -16.103 6.784 2.795 1.00 0.00 C ATOM 568 CG ARG A 39 -17.104 7.856 3.224 1.00 0.00 C ATOM 569 CD ARG A 39 -16.409 9.223 3.310 1.00 0.00 C ATOM 570 NE ARG A 39 -17.292 10.185 3.959 1.00 0.00 N ATOM 571 CZ ARG A 39 -17.221 10.436 5.265 1.00 0.00 C ATOM 572 NH1 ARG A 39 -16.292 9.872 5.982 1.00 0.00 N ATOM 573 NH2 ARG A 39 -18.074 11.246 5.819 1.00 0.00 N ATOM 0 H ARG A 39 -17.251 6.433 0.448 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.099 8.128 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.590 5.810 2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -15.296 6.713 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.927 7.902 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -17.534 7.597 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.478 9.134 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.147 9.572 2.311 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.984 10.680 3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.622 9.240 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.234 10.062 6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -18.798 11.689 5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.019 11.438 6.819 1.00 0.00 H new ATOM 587 N LEU A 40 -13.244 6.577 1.182 1.00 0.00 N ATOM 588 CA LEU A 40 -12.109 5.765 0.827 1.00 0.00 C ATOM 589 C LEU A 40 -12.068 4.550 1.744 1.00 0.00 C ATOM 590 O LEU A 40 -12.321 4.662 2.954 1.00 0.00 O ATOM 591 CB LEU A 40 -10.842 6.610 1.021 1.00 0.00 C ATOM 592 CG LEU A 40 -10.877 7.823 0.063 1.00 0.00 C ATOM 593 CD1 LEU A 40 -9.836 8.847 0.504 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.544 7.373 -1.365 1.00 0.00 C ATOM 0 H LEU A 40 -13.003 7.497 1.550 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.177 5.429 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.775 6.951 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.956 6.006 0.827 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.874 8.263 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.859 9.703 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.058 9.178 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.846 8.393 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.571 8.234 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.548 6.930 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.276 6.635 -1.694 1.00 0.00 H new ATOM 606 N LYS A 41 -11.790 3.393 1.175 1.00 0.00 N ATOM 607 CA LYS A 41 -11.698 2.164 1.958 1.00 0.00 C ATOM 608 C LYS A 41 -10.380 1.515 1.707 1.00 0.00 C ATOM 609 O LYS A 41 -9.954 1.429 0.564 1.00 0.00 O ATOM 610 CB LYS A 41 -12.818 1.174 1.595 1.00 0.00 C ATOM 611 CG LYS A 41 -14.181 1.741 1.994 1.00 0.00 C ATOM 612 CD LYS A 41 -14.533 1.280 3.418 1.00 0.00 C ATOM 613 CE LYS A 41 -13.912 2.227 4.440 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.195 3.629 4.046 1.00 0.00 N ATOM 0 H LYS A 41 -11.623 3.272 0.176 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.802 2.429 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.800 0.972 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.650 0.223 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.161 2.830 1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.945 1.406 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.615 1.254 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.169 0.266 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.318 2.027 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.836 2.064 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.320 4.211 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.400 4.000 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.064 3.661 3.475 1.00 0.00 H new ATOM 628 N ALA A 42 -9.784 0.964 2.752 1.00 0.00 N ATOM 629 CA ALA A 42 -8.552 0.227 2.599 1.00 0.00 C ATOM 630 C ALA A 42 -8.525 -0.980 3.519 1.00 0.00 C ATOM 631 O ALA A 42 -8.852 -0.879 4.701 1.00 0.00 O ATOM 632 CB ALA A 42 -7.336 1.121 2.817 1.00 0.00 C ATOM 0 H ALA A 42 -10.135 1.016 3.708 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.506 -0.135 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.426 0.534 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.345 1.932 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.366 1.537 3.824 1.00 0.00 H new ATOM 638 N TYR A 43 -8.228 -2.129 2.945 1.00 0.00 N ATOM 639 CA TYR A 43 -8.269 -3.398 3.659 1.00 0.00 C ATOM 640 C TYR A 43 -7.366 -4.423 2.997 1.00 0.00 C ATOM 641 O TYR A 43 -6.837 -4.195 1.912 1.00 0.00 O ATOM 642 CB TYR A 43 -9.706 -3.917 3.739 1.00 0.00 C ATOM 643 CG TYR A 43 -10.316 -3.876 2.365 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.917 -2.698 1.913 1.00 0.00 C ATOM 645 CD2 TYR A 43 -10.275 -4.998 1.544 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.479 -2.645 0.642 1.00 0.00 C ATOM 647 CE2 TYR A 43 -10.836 -4.953 0.271 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.442 -3.771 -0.184 1.00 0.00 C ATOM 649 OH TYR A 43 -12.006 -3.718 -1.439 1.00 0.00 O ATOM 0 H TYR A 43 -7.950 -2.213 1.967 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.902 -3.232 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.718 -4.936 4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.289 -3.307 4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -10.945 -1.828 2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.807 -5.906 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.944 -1.734 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.805 -5.825 -0.365 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.906 -3.334 -1.377 1.00 0.00 H new ATOM 659 N GLY A 44 -7.157 -5.532 3.665 1.00 0.00 N ATOM 660 CA GLY A 44 -6.313 -6.571 3.153 1.00 0.00 C ATOM 661 C GLY A 44 -6.929 -7.225 1.942 1.00 0.00 C ATOM 662 O GLY A 44 -8.137 -7.176 1.734 1.00 0.00 O ATOM 0 H GLY A 44 -7.569 -5.734 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.340 -6.157 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.142 -7.319 3.927 1.00 0.00 H new ATOM 666 N GLU A 45 -6.091 -7.852 1.174 1.00 0.00 N ATOM 667 CA GLU A 45 -6.485 -8.560 -0.028 1.00 0.00 C ATOM 668 C GLU A 45 -7.722 -9.429 0.210 1.00 0.00 C ATOM 669 O GLU A 45 -7.857 -10.072 1.250 1.00 0.00 O ATOM 670 CB GLU A 45 -5.344 -9.465 -0.462 1.00 0.00 C ATOM 671 CG GLU A 45 -4.140 -8.641 -0.945 1.00 0.00 C ATOM 672 CD GLU A 45 -3.351 -9.423 -1.993 1.00 0.00 C ATOM 673 OE1 GLU A 45 -3.854 -9.580 -3.079 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.262 -9.857 -1.697 1.00 0.00 O ATOM 0 H GLU A 45 -5.089 -7.893 1.361 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.720 -7.821 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.043 -10.101 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.682 -10.124 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.483 -7.696 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.495 -8.397 -0.101 1.00 0.00 H new ATOM 881 N PRO A 57 -4.591 -9.756 6.287 1.00 0.00 N ATOM 882 CA PRO A 57 -5.018 -8.346 6.310 1.00 0.00 C ATOM 883 C PRO A 57 -3.878 -7.392 6.585 1.00 0.00 C ATOM 884 O PRO A 57 -2.719 -7.793 6.626 1.00 0.00 O ATOM 885 CB PRO A 57 -6.124 -8.278 7.374 1.00 0.00 C ATOM 886 CG PRO A 57 -6.024 -9.564 8.122 1.00 0.00 C ATOM 887 CD PRO A 57 -5.449 -10.579 7.137 1.00 0.00 C ATOM 0 HA PRO A 57 -5.386 -8.026 5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.981 -7.424 8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.106 -8.164 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.380 -9.459 8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.002 -9.882 8.484 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.884 -11.361 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.232 -11.074 6.563 1.00 0.00 H new ATOM 895 N ILE A 58 -4.201 -6.115 6.580 1.00 0.00 N ATOM 896 CA ILE A 58 -3.213 -5.058 6.671 1.00 0.00 C ATOM 897 C ILE A 58 -2.199 -5.332 7.782 1.00 0.00 C ATOM 898 O ILE A 58 -2.339 -4.838 8.907 1.00 0.00 O ATOM 899 CB ILE A 58 -3.937 -3.733 6.922 1.00 0.00 C ATOM 900 CG1 ILE A 58 -4.855 -3.424 5.735 1.00 0.00 C ATOM 901 CG2 ILE A 58 -2.921 -2.601 7.070 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.895 -2.394 6.144 1.00 0.00 C ATOM 0 H ILE A 58 -5.162 -5.779 6.512 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.657 -5.010 5.735 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.523 -3.816 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.268 -3.048 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.346 -4.336 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.446 -1.662 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.260 -2.813 7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.332 -2.519 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.545 -2.177 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.491 -2.786 6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.395 -1.479 6.461 1.00 0.00 H new ATOM 914 N VAL A 59 -1.155 -6.054 7.429 1.00 0.00 N ATOM 915 CA VAL A 59 -0.044 -6.328 8.315 1.00 0.00 C ATOM 916 C VAL A 59 1.247 -6.233 7.517 1.00 0.00 C ATOM 917 O VAL A 59 1.234 -6.410 6.292 1.00 0.00 O ATOM 918 CB VAL A 59 -0.178 -7.734 8.934 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.447 -7.812 9.793 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.246 -8.796 7.825 1.00 0.00 C ATOM 0 H VAL A 59 -1.054 -6.473 6.504 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.038 -5.600 9.126 1.00 0.00 H new ATOM 0 HB VAL A 59 0.694 -7.923 9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.533 -8.809 10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.391 -7.073 10.592 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.320 -7.610 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.341 -9.785 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.109 -8.602 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.663 -8.755 7.226 1.00 0.00 H new ATOM 930 N SER A 60 2.363 -6.073 8.199 1.00 0.00 N ATOM 931 CA SER A 60 3.650 -6.128 7.531 1.00 0.00 C ATOM 932 C SER A 60 4.276 -7.483 7.813 1.00 0.00 C ATOM 933 O SER A 60 4.568 -7.796 8.968 1.00 0.00 O ATOM 934 CB SER A 60 4.582 -5.031 8.061 1.00 0.00 C ATOM 935 OG SER A 60 3.942 -3.755 8.020 1.00 0.00 O ATOM 0 H SER A 60 2.407 -5.906 9.204 1.00 0.00 H new ATOM 0 HA SER A 60 3.507 -5.978 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.877 -5.262 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.494 -5.004 7.465 1.00 0.00 H new ATOM 0 HG SER A 60 4.567 -3.065 8.326 1.00 0.00 H new ATOM 941 N THR A 61 4.490 -8.295 6.783 1.00 0.00 N ATOM 942 CA THR A 61 5.088 -9.599 7.028 1.00 0.00 C ATOM 943 C THR A 61 6.514 -9.405 7.491 1.00 0.00 C ATOM 944 O THR A 61 7.413 -9.166 6.676 1.00 0.00 O ATOM 945 CB THR A 61 5.026 -10.506 5.781 1.00 0.00 C ATOM 946 OG1 THR A 61 6.061 -10.163 4.865 1.00 0.00 O ATOM 947 CG2 THR A 61 3.665 -10.348 5.098 1.00 0.00 C ATOM 0 H THR A 61 4.269 -8.085 5.810 1.00 0.00 H new ATOM 0 HA THR A 61 4.517 -10.106 7.806 1.00 0.00 H new ATOM 0 HB THR A 61 5.162 -11.541 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.925 -10.173 5.328 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.623 -10.989 4.218 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.874 -10.633 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.527 -9.309 4.797 1.00 0.00 H new ATOM 955 N LYS A 62 6.681 -9.343 8.797 1.00 0.00 N ATOM 956 CA LYS A 62 7.958 -9.001 9.386 1.00 0.00 C ATOM 957 C LYS A 62 9.023 -9.989 8.954 1.00 0.00 C ATOM 958 O LYS A 62 9.083 -11.103 9.478 1.00 0.00 O ATOM 959 CB LYS A 62 7.856 -9.046 10.914 1.00 0.00 C ATOM 960 CG LYS A 62 6.776 -8.087 11.436 1.00 0.00 C ATOM 961 CD LYS A 62 7.239 -6.637 11.289 1.00 0.00 C ATOM 962 CE LYS A 62 6.430 -5.754 12.246 1.00 0.00 C ATOM 963 NZ LYS A 62 7.229 -5.492 13.463 1.00 0.00 N ATOM 0 H LYS A 62 5.941 -9.527 9.474 1.00 0.00 H new ATOM 0 HA LYS A 62 8.227 -7.999 9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.627 -10.062 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.819 -8.783 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.848 -8.238 10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.563 -8.304 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.303 -6.557 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.103 -6.301 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.169 -4.814 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.494 -6.247 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.600 -5.183 14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.723 -6.362 13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.927 -4.746 13.266 1.00 0.00 H new ATOM 977 N LYS A 63 9.929 -9.552 8.099 1.00 0.00 N ATOM 978 CA LYS A 63 11.061 -10.383 7.742 1.00 0.00 C ATOM 979 C LYS A 63 12.345 -9.644 8.033 1.00 0.00 C ATOM 980 O LYS A 63 12.484 -8.468 7.693 1.00 0.00 O ATOM 981 CB LYS A 63 11.017 -10.803 6.267 1.00 0.00 C ATOM 982 CG LYS A 63 9.761 -11.653 6.011 1.00 0.00 C ATOM 983 CD LYS A 63 9.904 -12.424 4.685 1.00 0.00 C ATOM 984 CE LYS A 63 9.874 -11.460 3.497 1.00 0.00 C ATOM 985 NZ LYS A 63 10.093 -12.220 2.241 1.00 0.00 N ATOM 0 H LYS A 63 9.904 -8.639 7.645 1.00 0.00 H new ATOM 0 HA LYS A 63 11.014 -11.291 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.008 -9.921 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.912 -11.372 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.612 -12.353 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.880 -11.012 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.839 -12.984 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.097 -13.151 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.916 -10.942 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.645 -10.698 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.073 -11.567 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.017 -12.695 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.342 -12.931 2.130 1.00 0.00 H new ATOM 999 N LEU A 64 13.269 -10.321 8.672 1.00 0.00 N ATOM 1000 CA LEU A 64 14.553 -9.740 9.012 1.00 0.00 C ATOM 1001 C LEU A 64 15.670 -10.607 8.467 1.00 0.00 C ATOM 1002 O LEU A 64 15.733 -11.804 8.765 1.00 0.00 O ATOM 1003 CB LEU A 64 14.665 -9.591 10.537 1.00 0.00 C ATOM 1004 CG LEU A 64 16.076 -9.147 10.943 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.396 -7.784 10.345 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.139 -9.039 12.460 1.00 0.00 C ATOM 0 H LEU A 64 13.156 -11.289 8.972 1.00 0.00 H new ATOM 0 HA LEU A 64 14.638 -8.751 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.935 -8.862 10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.426 -10.540 11.017 1.00 0.00 H new ATOM 0 HG LEU A 64 16.797 -9.878 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.401 -7.483 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.341 -7.842 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.676 -7.050 10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.138 -8.724 12.761 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.409 -8.306 12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.916 -10.009 12.903 1.00 0.00 H new ATOM 1018 N ASP A 65 16.534 -10.021 7.654 1.00 0.00 N ATOM 1019 CA ASP A 65 17.626 -10.769 7.053 1.00 0.00 C ATOM 1020 C ASP A 65 18.948 -10.404 7.687 1.00 0.00 C ATOM 1021 O ASP A 65 18.994 -9.744 8.731 1.00 0.00 O ATOM 1022 CB ASP A 65 17.704 -10.505 5.539 1.00 0.00 C ATOM 1023 CG ASP A 65 18.216 -11.743 4.815 1.00 0.00 C ATOM 1024 OD1 ASP A 65 18.897 -12.524 5.432 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.925 -11.891 3.650 1.00 0.00 O ATOM 0 H ASP A 65 16.501 -9.035 7.396 1.00 0.00 H new ATOM 0 HA ASP A 65 17.427 -11.827 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.719 -10.234 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.365 -9.661 5.343 1.00 0.00 H new ATOM 1030 N LYS A 66 20.016 -10.738 6.981 1.00 0.00 N ATOM 1031 CA LYS A 66 21.372 -10.398 7.385 1.00 0.00 C ATOM 1032 C LYS A 66 21.520 -8.888 7.513 1.00 0.00 C ATOM 1033 O LYS A 66 22.569 -8.389 7.936 1.00 0.00 O ATOM 1034 CB LYS A 66 22.367 -10.914 6.334 1.00 0.00 C ATOM 1035 CG LYS A 66 22.083 -10.218 4.985 1.00 0.00 C ATOM 1036 CD LYS A 66 21.474 -11.211 3.986 1.00 0.00 C ATOM 1037 CE LYS A 66 20.646 -10.439 2.946 1.00 0.00 C ATOM 1038 NZ LYS A 66 19.803 -11.375 2.166 1.00 0.00 N ATOM 0 H LYS A 66 19.967 -11.257 6.104 1.00 0.00 H new ATOM 0 HA LYS A 66 21.578 -10.862 8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.390 -10.712 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 66 22.274 -11.995 6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.401 -9.382 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 66 23.007 -9.806 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.263 -11.778 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.844 -11.931 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.017 -9.702 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.309 -9.891 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.727 -11.039 1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.235 -12.321 2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.854 -11.423 2.590 1.00 0.00 H new ATOM 1052 N GLU A 67 20.507 -8.160 7.043 1.00 0.00 N ATOM 1053 CA GLU A 67 20.545 -6.708 7.031 1.00 0.00 C ATOM 1054 C GLU A 67 20.582 -6.142 8.435 1.00 0.00 C ATOM 1055 O GLU A 67 21.165 -5.085 8.671 1.00 0.00 O ATOM 1056 CB GLU A 67 19.353 -6.129 6.263 1.00 0.00 C ATOM 1057 CG GLU A 67 19.510 -6.434 4.765 1.00 0.00 C ATOM 1058 CD GLU A 67 18.358 -5.835 3.966 1.00 0.00 C ATOM 1059 OE1 GLU A 67 17.413 -5.360 4.563 1.00 0.00 O ATOM 1060 OE2 GLU A 67 18.442 -5.856 2.765 1.00 0.00 O ATOM 0 H GLU A 67 19.648 -8.560 6.665 1.00 0.00 H new ATOM 0 HA GLU A 67 21.463 -6.416 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.423 -6.558 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 67 19.293 -5.052 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.456 -6.031 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 67 19.543 -7.512 4.611 1.00 0.00 H new ATOM 1067 N GLY A 68 19.861 -6.786 9.330 1.00 0.00 N ATOM 1068 CA GLY A 68 19.737 -6.315 10.698 1.00 0.00 C ATOM 1069 C GLY A 68 18.536 -5.412 10.816 1.00 0.00 C ATOM 1070 O GLY A 68 18.144 -5.016 11.917 1.00 0.00 O ATOM 0 H GLY A 68 19.347 -7.645 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.636 -7.162 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.639 -5.777 10.991 1.00 0.00 H new ATOM 1074 N ARG A 69 17.913 -5.139 9.675 1.00 0.00 N ATOM 1075 CA ARG A 69 16.726 -4.309 9.620 1.00 0.00 C ATOM 1076 C ARG A 69 15.526 -5.180 9.270 1.00 0.00 C ATOM 1077 O ARG A 69 15.509 -5.823 8.208 1.00 0.00 O ATOM 1078 CB ARG A 69 16.903 -3.254 8.513 1.00 0.00 C ATOM 1079 CG ARG A 69 18.242 -2.530 8.694 1.00 0.00 C ATOM 1080 CD ARG A 69 18.169 -1.565 9.875 1.00 0.00 C ATOM 1081 NE ARG A 69 17.499 -0.314 9.478 1.00 0.00 N ATOM 1082 CZ ARG A 69 18.096 0.887 9.579 1.00 0.00 C ATOM 1083 NH1 ARG A 69 19.311 0.981 10.049 1.00 0.00 N ATOM 1084 NH2 ARG A 69 17.467 1.968 9.199 1.00 0.00 N ATOM 0 H ARG A 69 18.219 -5.488 8.767 1.00 0.00 H new ATOM 0 HA ARG A 69 16.571 -3.823 10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.867 -3.732 7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.084 -2.536 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.037 -3.257 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.493 -1.984 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.627 -2.029 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.174 -1.347 10.237 1.00 0.00 H new ATOM 0 HE ARG A 69 16.548 -0.361 9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.811 0.141 10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.760 1.894 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.520 1.902 8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.923 2.877 9.277 1.00 0.00 H new ATOM 1098 N THR A 70 14.517 -5.186 10.130 1.00 0.00 N ATOM 1099 CA THR A 70 13.313 -5.944 9.853 1.00 0.00 C ATOM 1100 C THR A 70 12.560 -5.281 8.706 1.00 0.00 C ATOM 1101 O THR A 70 12.348 -4.065 8.719 1.00 0.00 O ATOM 1102 CB THR A 70 12.434 -6.047 11.113 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.221 -6.528 12.205 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.262 -7.009 10.862 1.00 0.00 C ATOM 0 H THR A 70 14.511 -4.679 11.015 1.00 0.00 H new ATOM 0 HA THR A 70 13.580 -6.959 9.560 1.00 0.00 H new ATOM 0 HB THR A 70 12.038 -5.060 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.662 -6.592 13.008 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.647 -7.075 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.658 -6.638 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.649 -7.997 10.614 1.00 0.00 H new ATOM 1112 N HIS A 71 12.207 -6.067 7.705 1.00 0.00 N ATOM 1113 CA HIS A 71 11.539 -5.558 6.518 1.00 0.00 C ATOM 1114 C HIS A 71 10.038 -5.666 6.682 1.00 0.00 C ATOM 1115 O HIS A 71 9.510 -6.756 6.941 1.00 0.00 O ATOM 1116 CB HIS A 71 11.973 -6.379 5.295 1.00 0.00 C ATOM 1117 CG HIS A 71 11.659 -5.661 3.996 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.666 -5.227 3.149 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.476 -5.350 3.355 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.084 -4.697 2.058 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.755 -4.749 2.128 1.00 0.00 N ATOM 0 H HIS A 71 12.374 -7.073 7.690 1.00 0.00 H new ATOM 0 HA HIS A 71 11.812 -4.512 6.378 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.043 -6.578 5.351 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.468 -7.345 5.308 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.669 -5.297 3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.487 -5.543 3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.629 -4.279 1.225 1.00 0.00 H new ATOM 1130 N HIS A 72 9.349 -4.570 6.455 1.00 0.00 N ATOM 1131 CA HIS A 72 7.908 -4.563 6.477 1.00 0.00 C ATOM 1132 C HIS A 72 7.402 -4.832 5.095 1.00 0.00 C ATOM 1133 O HIS A 72 7.501 -3.977 4.232 1.00 0.00 O ATOM 1134 CB HIS A 72 7.376 -3.188 6.910 1.00 0.00 C ATOM 1135 CG HIS A 72 7.362 -3.079 8.393 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.180 -3.019 9.113 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.371 -3.015 9.309 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.513 -2.917 10.409 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.837 -2.915 10.584 1.00 0.00 N ATOM 0 H HIS A 72 9.771 -3.664 6.251 1.00 0.00 H new ATOM 0 HA HIS A 72 7.570 -5.324 7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.000 -2.400 6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.369 -3.041 6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.425 -3.039 9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.796 -2.845 11.214 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.346 -2.853 11.466 1.00 0.00 H new ATOM 1148 N TYR A 73 6.765 -5.954 4.917 1.00 0.00 N ATOM 1149 CA TYR A 73 6.093 -6.240 3.675 1.00 0.00 C ATOM 1150 C TYR A 73 4.619 -6.117 3.921 1.00 0.00 C ATOM 1151 O TYR A 73 4.005 -7.016 4.504 1.00 0.00 O ATOM 1152 CB TYR A 73 6.418 -7.651 3.199 1.00 0.00 C ATOM 1153 CG TYR A 73 7.860 -7.733 2.768 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.218 -7.324 1.484 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.840 -8.220 3.646 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.545 -7.398 1.067 1.00 0.00 C ATOM 1157 CE2 TYR A 73 10.174 -8.293 3.223 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.522 -7.880 1.931 1.00 0.00 C ATOM 1159 OH TYR A 73 11.833 -7.949 1.513 1.00 0.00 O ATOM 0 H TYR A 73 6.695 -6.691 5.618 1.00 0.00 H new ATOM 0 HA TYR A 73 6.421 -5.543 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.228 -8.366 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.766 -7.922 2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.463 -6.948 0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.568 -8.537 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.815 -7.080 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.933 -8.668 3.893 1.00 0.00 H new ATOM 0 HH TYR A 73 12.389 -8.307 2.237 1.00 0.00 H new ATOM 1169 N MET A 74 4.077 -4.965 3.595 1.00 0.00 N ATOM 1170 CA MET A 74 2.687 -4.683 3.858 1.00 0.00 C ATOM 1171 C MET A 74 1.977 -4.289 2.588 1.00 0.00 C ATOM 1172 O MET A 74 2.371 -3.341 1.909 1.00 0.00 O ATOM 1173 CB MET A 74 2.561 -3.578 4.917 1.00 0.00 C ATOM 1174 CG MET A 74 1.084 -3.300 5.212 1.00 0.00 C ATOM 1175 SD MET A 74 0.960 -2.064 6.526 1.00 0.00 S ATOM 1176 CE MET A 74 1.637 -0.666 5.593 1.00 0.00 C ATOM 0 H MET A 74 4.584 -4.204 3.144 1.00 0.00 H new ATOM 0 HA MET A 74 2.215 -5.587 4.244 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.072 -3.879 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.047 -2.668 4.565 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.582 -2.943 4.313 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.582 -4.219 5.513 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.096 0.243 5.856 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.692 -0.543 5.836 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.530 -0.856 4.525 1.00 0.00 H new ATOM 1186 N ARG A 75 0.914 -4.998 2.287 1.00 0.00 N ATOM 1187 CA ARG A 75 0.113 -4.706 1.122 1.00 0.00 C ATOM 1188 C ARG A 75 -1.355 -4.766 1.479 1.00 0.00 C ATOM 1189 O ARG A 75 -1.769 -5.587 2.311 1.00 0.00 O ATOM 1190 CB ARG A 75 0.432 -5.679 -0.019 1.00 0.00 C ATOM 1191 CG ARG A 75 0.309 -7.124 0.483 1.00 0.00 C ATOM 1192 CD ARG A 75 -1.125 -7.624 0.269 1.00 0.00 C ATOM 1193 NE ARG A 75 -1.605 -8.319 1.464 1.00 0.00 N ATOM 1194 CZ ARG A 75 -1.604 -9.653 1.559 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -1.244 -10.379 0.544 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -2.005 -10.230 2.649 1.00 0.00 N ATOM 0 H ARG A 75 0.582 -5.789 2.839 1.00 0.00 H new ATOM 0 HA ARG A 75 0.352 -3.699 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.251 -5.514 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.440 -5.498 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.011 -7.765 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.569 -7.175 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.780 -6.783 0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.159 -8.296 -0.589 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.951 -7.768 2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.961 -9.932 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.244 -11.396 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.323 -9.666 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.003 -11.248 2.718 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.131 -3.900 0.880 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.550 -3.838 1.144 1.00 0.00 C ATOM 1212 C PHE A 76 -4.316 -3.330 -0.051 1.00 0.00 C ATOM 1213 O PHE A 76 -3.743 -2.741 -0.967 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.848 -3.011 2.407 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.251 -1.620 2.311 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -3.988 -0.565 1.748 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -1.962 -1.384 2.805 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.428 0.717 1.687 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.405 -0.103 2.741 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.139 0.947 2.182 1.00 0.00 C ATOM 0 H PHE A 76 -1.801 -3.218 0.197 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.893 -4.855 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.926 -2.937 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.445 -3.522 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.982 -0.742 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.395 -2.195 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.992 1.531 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.410 0.075 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.711 1.937 2.132 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.608 -3.552 -0.033 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.480 -3.103 -1.088 1.00 0.00 C ATOM 1232 C HIS A 77 -7.214 -1.862 -0.645 1.00 0.00 C ATOM 1233 O HIS A 77 -7.622 -1.753 0.515 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.475 -4.207 -1.476 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.863 -5.096 -2.525 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.884 -6.026 -2.223 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.087 -5.208 -3.878 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.556 -6.654 -3.372 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.258 -6.195 -4.410 1.00 0.00 N ATOM 0 H HIS A 77 -6.085 -4.051 0.718 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.879 -2.867 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.741 -4.795 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.396 -3.763 -1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.797 -4.621 -4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.814 -7.435 -3.443 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.201 -6.500 -5.382 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.363 -0.931 -1.558 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.032 0.322 -1.291 1.00 0.00 C ATOM 1250 C VAL A 78 -9.130 0.525 -2.315 1.00 0.00 C ATOM 1251 O VAL A 78 -8.989 0.116 -3.465 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.020 1.497 -1.320 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.146 1.405 -2.570 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.756 2.849 -1.322 1.00 0.00 C ATOM 0 H VAL A 78 -7.021 -1.022 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.474 0.294 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.397 1.430 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.439 2.234 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.599 0.462 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.776 1.453 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.028 3.660 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.396 2.914 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.366 2.932 -0.423 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.225 1.121 -1.905 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.327 1.324 -2.815 1.00 0.00 C ATOM 1266 C GLU A 79 -11.377 2.741 -3.286 1.00 0.00 C ATOM 1267 O GLU A 79 -11.503 3.683 -2.491 1.00 0.00 O ATOM 1268 CB GLU A 79 -12.660 0.920 -2.192 1.00 0.00 C ATOM 1269 CG GLU A 79 -12.696 -0.608 -2.039 1.00 0.00 C ATOM 1270 CD GLU A 79 -13.954 -1.073 -1.328 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -14.820 -0.258 -1.063 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.043 -2.251 -1.068 1.00 0.00 O ATOM 0 H GLU A 79 -10.376 1.470 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.156 0.678 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.782 1.399 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.486 1.255 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.641 -1.073 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.820 -0.938 -1.481 1.00 0.00 H new ATOM 1279 N SER A 80 -11.345 2.886 -4.581 1.00 0.00 N ATOM 1280 CA SER A 80 -11.452 4.166 -5.202 1.00 0.00 C ATOM 1281 C SER A 80 -12.906 4.483 -5.364 1.00 0.00 C ATOM 1282 O SER A 80 -13.769 3.684 -4.984 1.00 0.00 O ATOM 1283 CB SER A 80 -10.773 4.146 -6.571 1.00 0.00 C ATOM 1284 OG SER A 80 -9.818 3.092 -6.624 1.00 0.00 O ATOM 0 H SER A 80 -11.243 2.110 -5.236 1.00 0.00 H new ATOM 0 HA SER A 80 -10.963 4.921 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.519 4.012 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.283 5.102 -6.757 1.00 0.00 H new ATOM 0 HG SER A 80 -10.283 2.233 -6.709 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.202 5.620 -5.931 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.579 5.973 -6.109 1.00 0.00 C ATOM 1292 C LYS A 81 -15.236 4.997 -7.070 1.00 0.00 C ATOM 1293 O LYS A 81 -16.436 4.774 -7.006 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.714 7.389 -6.645 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.031 8.388 -5.701 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.536 8.214 -4.261 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.438 9.556 -3.524 1.00 0.00 C ATOM 1298 NZ LYS A 81 -13.970 9.389 -2.117 1.00 0.00 N ATOM 0 H LYS A 81 -12.524 6.303 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.074 5.925 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.267 7.453 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.768 7.644 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.951 8.244 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.226 9.406 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.568 7.863 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.944 7.458 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.752 10.214 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.413 10.043 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.628 10.302 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.758 9.055 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.197 8.694 -2.088 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.457 4.524 -8.048 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.006 3.685 -9.114 1.00 0.00 C ATOM 1314 C LYS A 82 -14.341 2.308 -9.186 1.00 0.00 C ATOM 1315 O LYS A 82 -14.845 1.413 -9.868 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.852 4.410 -10.453 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.432 5.829 -10.317 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.927 5.745 -10.002 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.494 7.146 -9.773 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.931 7.037 -9.456 1.00 0.00 N ATOM 0 H LYS A 82 -13.456 4.706 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.059 3.514 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.801 4.457 -10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.371 3.864 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.913 6.370 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.275 6.387 -11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.453 5.261 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.086 5.130 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.965 7.638 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.350 7.760 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.191 7.771 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.489 7.165 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -19.127 6.098 -9.053 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.156 2.180 -8.602 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.377 0.934 -8.700 1.00 0.00 C ATOM 1336 C LYS A 83 -11.721 0.575 -7.384 1.00 0.00 C ATOM 1337 O LYS A 83 -11.516 1.430 -6.530 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.310 1.033 -9.801 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.995 1.208 -11.162 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.744 -0.077 -11.527 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.774 0.218 -12.610 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.114 0.301 -11.976 1.00 0.00 N ATOM 0 H LYS A 83 -12.708 2.916 -8.056 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.081 0.143 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.647 1.875 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.692 0.135 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.689 2.048 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.254 1.439 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.040 -0.832 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.237 -0.485 -10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.535 1.154 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.761 -0.565 -13.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.724 0.932 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.540 -0.647 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.019 0.676 -11.011 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.334 -0.674 -7.263 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.629 -1.154 -6.087 1.00 0.00 C ATOM 1358 C ILE A 84 -9.146 -1.239 -6.433 1.00 0.00 C ATOM 1359 O ILE A 84 -8.787 -1.755 -7.492 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.153 -2.541 -5.719 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.672 -2.472 -5.537 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.514 -3.001 -4.399 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.239 -3.883 -5.481 1.00 0.00 C ATOM 0 H ILE A 84 -11.497 -1.388 -7.973 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.782 -0.482 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.902 -3.245 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.915 -1.934 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.123 -1.919 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.889 -3.991 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.431 -3.042 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.768 -2.297 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.320 -3.836 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.007 -4.405 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.796 -4.420 -4.642 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.305 -0.654 -5.609 1.00 0.00 N ATOM 1376 CA ALA A 85 -6.877 -0.602 -5.892 1.00 0.00 C ATOM 1377 C ALA A 85 -6.084 -1.393 -4.871 1.00 0.00 C ATOM 1378 O ALA A 85 -6.531 -1.609 -3.745 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.385 0.852 -5.938 1.00 0.00 C ATOM 0 H ALA A 85 -8.580 -0.205 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.717 -1.056 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.316 0.868 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.919 1.392 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.571 1.330 -4.976 1.00 0.00 H new ATOM 1385 N LEU A 86 -4.897 -1.790 -5.268 1.00 0.00 N ATOM 1386 CA LEU A 86 -3.982 -2.530 -4.415 1.00 0.00 C ATOM 1387 C LEU A 86 -2.805 -1.659 -4.027 1.00 0.00 C ATOM 1388 O LEU A 86 -2.159 -1.072 -4.887 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.512 -3.798 -5.154 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.224 -4.371 -4.535 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.480 -4.852 -3.110 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.729 -5.545 -5.386 1.00 0.00 C ATOM 0 H LEU A 86 -4.531 -1.608 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.494 -2.825 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.299 -4.552 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.339 -3.564 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.469 -3.585 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.558 -5.253 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.823 -4.016 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.243 -5.631 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.817 -5.952 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.494 -6.321 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.523 -5.199 -6.399 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.513 -1.601 -2.743 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.388 -0.829 -2.259 1.00 0.00 C ATOM 1406 C VAL A 87 -0.389 -1.771 -1.612 1.00 0.00 C ATOM 1407 O VAL A 87 -0.758 -2.585 -0.756 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.866 0.216 -1.231 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.661 0.897 -0.570 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.753 1.269 -1.914 1.00 0.00 C ATOM 0 H VAL A 87 -3.042 -2.081 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.917 -0.306 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.450 -0.293 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.011 1.633 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.054 0.148 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.061 1.395 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.083 2.000 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.184 1.773 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.622 0.781 -2.356 1.00 0.00 H new ATOM 1420 N HIS A 88 0.862 -1.661 -2.014 1.00 0.00 N ATOM 1421 CA HIS A 88 1.926 -2.496 -1.472 1.00 0.00 C ATOM 1422 C HIS A 88 3.047 -1.606 -0.983 1.00 0.00 C ATOM 1423 O HIS A 88 3.599 -0.822 -1.758 1.00 0.00 O ATOM 1424 CB HIS A 88 2.413 -3.470 -2.562 1.00 0.00 C ATOM 1425 CG HIS A 88 3.727 -4.135 -2.204 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.476 -4.798 -3.164 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.439 -4.255 -1.025 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.580 -5.277 -2.566 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.615 -4.974 -1.266 1.00 0.00 N ATOM 0 H HIS A 88 1.173 -0.995 -2.722 1.00 0.00 H new ATOM 0 HA HIS A 88 1.562 -3.085 -0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.655 -4.236 -2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.527 -2.930 -3.502 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.232 -4.903 -4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.135 -3.856 -0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.348 -5.840 -3.076 1.00 0.00 H new ATOM 1438 N LEU A 89 3.326 -1.666 0.318 1.00 0.00 N ATOM 1439 CA LEU A 89 4.342 -0.824 0.931 1.00 0.00 C ATOM 1440 C LEU A 89 5.397 -1.646 1.633 1.00 0.00 C ATOM 1441 O LEU A 89 5.079 -2.520 2.453 1.00 0.00 O ATOM 1442 CB LEU A 89 3.721 0.182 1.922 1.00 0.00 C ATOM 1443 CG LEU A 89 4.826 1.125 2.461 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.248 2.509 2.761 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.424 0.544 3.751 1.00 0.00 C ATOM 0 H LEU A 89 2.856 -2.295 0.969 1.00 0.00 H new ATOM 0 HA LEU A 89 4.817 -0.269 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.942 0.762 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.247 -0.349 2.747 1.00 0.00 H new ATOM 0 HG LEU A 89 5.602 1.216 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.037 3.159 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.833 2.936 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.462 2.420 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.200 1.212 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.640 0.442 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.856 -0.435 3.543 1.00 0.00 H new ATOM 1457 N GLU A 90 6.643 -1.298 1.385 1.00 0.00 N ATOM 1458 CA GLU A 90 7.752 -1.894 2.078 1.00 0.00 C ATOM 1459 C GLU A 90 8.537 -0.866 2.863 1.00 0.00 C ATOM 1460 O GLU A 90 8.967 0.163 2.321 1.00 0.00 O ATOM 1461 CB GLU A 90 8.658 -2.658 1.129 1.00 0.00 C ATOM 1462 CG GLU A 90 7.935 -3.931 0.662 1.00 0.00 C ATOM 1463 CD GLU A 90 8.762 -4.678 -0.355 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.950 -4.466 -0.391 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.204 -5.481 -1.067 1.00 0.00 O ATOM 0 H GLU A 90 6.909 -0.594 0.697 1.00 0.00 H new ATOM 0 HA GLU A 90 7.336 -2.608 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.916 -2.036 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.592 -2.917 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.735 -4.575 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.970 -3.668 0.229 1.00 0.00 H new ATOM 1472 N ALA A 91 8.773 -1.181 4.115 1.00 0.00 N ATOM 1473 CA ALA A 91 9.560 -0.347 5.000 1.00 0.00 C ATOM 1474 C ALA A 91 10.450 -1.239 5.838 1.00 0.00 C ATOM 1475 O ALA A 91 10.129 -2.398 6.043 1.00 0.00 O ATOM 1476 CB ALA A 91 8.645 0.479 5.915 1.00 0.00 C ATOM 0 H ALA A 91 8.422 -2.032 4.555 1.00 0.00 H new ATOM 0 HA ALA A 91 10.165 0.341 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.253 1.100 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.002 1.116 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.029 -0.191 6.515 1.00 0.00 H new ATOM 1482 N LYS A 92 11.552 -0.716 6.336 1.00 0.00 N ATOM 1483 CA LYS A 92 12.424 -1.522 7.189 1.00 0.00 C ATOM 1484 C LYS A 92 12.572 -0.919 8.567 1.00 0.00 C ATOM 1485 O LYS A 92 12.793 0.284 8.707 1.00 0.00 O ATOM 1486 CB LYS A 92 13.795 -1.773 6.545 1.00 0.00 C ATOM 1487 CG LYS A 92 14.527 -0.449 6.282 1.00 0.00 C ATOM 1488 CD LYS A 92 15.864 -0.757 5.606 1.00 0.00 C ATOM 1489 CE LYS A 92 16.624 0.538 5.310 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.896 0.203 4.627 1.00 0.00 N ATOM 0 H LYS A 92 11.867 0.241 6.174 1.00 0.00 H new ATOM 0 HA LYS A 92 11.938 -2.491 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.398 -2.403 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.667 -2.315 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.922 0.198 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.690 0.085 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.465 -1.399 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.692 -1.305 4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.021 1.194 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.824 1.078 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.420 1.077 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.470 -0.408 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.692 -0.295 3.737 1.00 0.00 H new ATOM 1504 N GLU A 93 12.470 -1.759 9.583 1.00 0.00 N ATOM 1505 CA GLU A 93 12.595 -1.310 10.953 1.00 0.00 C ATOM 1506 C GLU A 93 14.052 -1.041 11.269 1.00 0.00 C ATOM 1507 O GLU A 93 14.878 -1.963 11.200 1.00 0.00 O ATOM 1508 CB GLU A 93 12.097 -2.398 11.926 1.00 0.00 C ATOM 1509 CG GLU A 93 10.606 -2.703 11.698 1.00 0.00 C ATOM 1510 CD GLU A 93 10.119 -3.763 12.669 1.00 0.00 C ATOM 1511 OE1 GLU A 93 10.872 -4.166 13.534 1.00 0.00 O ATOM 1512 OE2 GLU A 93 8.984 -4.151 12.545 1.00 0.00 O ATOM 0 H GLU A 93 12.300 -2.760 9.481 1.00 0.00 H new ATOM 0 HA GLU A 93 11.999 -0.405 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.682 -3.307 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.251 -2.070 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.020 -1.792 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.452 -3.043 10.674 1.00 0.00 H new ATOM 1519 N SER A 94 14.349 0.143 11.774 1.00 0.00 N ATOM 1520 CA SER A 94 15.678 0.378 12.292 1.00 0.00 C ATOM 1521 C SER A 94 15.855 -0.455 13.544 1.00 0.00 C ATOM 1522 O SER A 94 14.943 -1.188 13.942 1.00 0.00 O ATOM 1523 CB SER A 94 15.923 1.847 12.601 1.00 0.00 C ATOM 1524 OG SER A 94 15.932 2.608 11.392 1.00 0.00 O ATOM 0 H SER A 94 13.707 0.933 11.835 1.00 0.00 H new ATOM 0 HA SER A 94 16.404 0.091 11.531 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.147 2.220 13.269 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.874 1.964 13.120 1.00 0.00 H new ATOM 0 HG SER A 94 16.089 3.553 11.601 1.00 0.00 H new ATOM 1604 N GLN A 99 9.456 3.854 14.225 1.00 0.00 N ATOM 1605 CA GLN A 99 8.842 3.463 12.965 1.00 0.00 C ATOM 1606 C GLN A 99 9.896 3.029 11.949 1.00 0.00 C ATOM 1607 O GLN A 99 10.992 3.585 11.909 1.00 0.00 O ATOM 1608 CB GLN A 99 8.009 4.618 12.411 1.00 0.00 C ATOM 1609 CG GLN A 99 6.691 4.709 13.187 1.00 0.00 C ATOM 1610 CD GLN A 99 5.651 3.828 12.520 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.980 4.263 11.584 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.486 2.612 12.932 1.00 0.00 N ATOM 0 HA GLN A 99 8.189 2.610 13.152 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.561 5.554 12.498 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.810 4.462 11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.842 4.394 14.220 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.344 5.742 13.216 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.044 2.256 13.708 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.798 2.010 12.481 1.00 0.00 H new ATOM 1621 N PRO A 100 9.569 2.077 11.115 1.00 0.00 N ATOM 1622 CA PRO A 100 10.497 1.577 10.060 1.00 0.00 C ATOM 1623 C PRO A 100 10.687 2.579 8.926 1.00 0.00 C ATOM 1624 O PRO A 100 9.845 3.462 8.704 1.00 0.00 O ATOM 1625 CB PRO A 100 9.811 0.313 9.554 1.00 0.00 C ATOM 1626 CG PRO A 100 8.363 0.587 9.734 1.00 0.00 C ATOM 1627 CD PRO A 100 8.242 1.431 11.005 1.00 0.00 C ATOM 0 HA PRO A 100 11.500 1.404 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.053 0.120 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.124 -0.564 10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.958 1.119 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.800 -0.342 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.442 2.167 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.021 0.815 11.877 1.00 0.00 H new ATOM 1635 N ASP A 101 11.783 2.430 8.201 1.00 0.00 N ATOM 1636 CA ASP A 101 12.071 3.293 7.061 1.00 0.00 C ATOM 1637 C ASP A 101 11.291 2.803 5.869 1.00 0.00 C ATOM 1638 O ASP A 101 11.413 1.636 5.502 1.00 0.00 O ATOM 1639 CB ASP A 101 13.566 3.232 6.704 1.00 0.00 C ATOM 1640 CG ASP A 101 14.423 3.333 7.940 1.00 0.00 C ATOM 1641 OD1 ASP A 101 14.151 4.184 8.753 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.357 2.560 8.053 1.00 0.00 O ATOM 0 H ASP A 101 12.491 1.718 8.380 1.00 0.00 H new ATOM 0 HA ASP A 101 11.797 4.316 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.781 2.299 6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.813 4.043 6.019 1.00 0.00 H new ATOM 1647 N PHE A 102 10.571 3.695 5.195 1.00 0.00 N ATOM 1648 CA PHE A 102 9.861 3.290 3.993 1.00 0.00 C ATOM 1649 C PHE A 102 10.877 3.014 2.908 1.00 0.00 C ATOM 1650 O PHE A 102 11.773 3.835 2.670 1.00 0.00 O ATOM 1651 CB PHE A 102 8.896 4.389 3.514 1.00 0.00 C ATOM 1652 CG PHE A 102 7.817 4.617 4.540 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.754 3.719 4.646 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.874 5.739 5.379 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.745 3.942 5.587 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.867 5.958 6.322 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.800 5.060 6.426 1.00 0.00 C ATOM 0 H PHE A 102 10.466 4.676 5.453 1.00 0.00 H new ATOM 0 HA PHE A 102 9.274 2.399 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.445 5.315 3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.448 4.101 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.711 2.853 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.697 6.434 5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.920 3.249 5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.912 6.820 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.020 5.229 7.153 1.00 0.00 H new ATOM 1667 N ILE A 103 10.756 1.878 2.255 1.00 0.00 N ATOM 1668 CA ILE A 103 11.666 1.532 1.183 1.00 0.00 C ATOM 1669 C ILE A 103 10.971 1.685 -0.154 1.00 0.00 C ATOM 1670 O ILE A 103 11.399 2.450 -1.008 1.00 0.00 O ATOM 1671 CB ILE A 103 12.156 0.088 1.346 1.00 0.00 C ATOM 1672 CG1 ILE A 103 12.891 -0.068 2.681 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.118 -0.261 0.203 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.151 -1.551 2.948 1.00 0.00 C ATOM 0 H ILE A 103 10.038 1.179 2.447 1.00 0.00 H new ATOM 0 HA ILE A 103 12.523 2.204 1.223 1.00 0.00 H new ATOM 0 HB ILE A 103 11.296 -0.581 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.834 0.479 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.296 0.359 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.465 -1.288 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.601 -0.160 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.972 0.416 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.674 -1.663 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.202 -2.085 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.763 -1.963 2.146 1.00 0.00 H new ATOM 1686 N ASN A 104 9.912 0.929 -0.331 1.00 0.00 N ATOM 1687 CA ASN A 104 9.163 0.911 -1.580 1.00 0.00 C ATOM 1688 C ASN A 104 7.682 0.856 -1.288 1.00 0.00 C ATOM 1689 O ASN A 104 7.259 0.151 -0.381 1.00 0.00 O ATOM 1690 CB ASN A 104 9.579 -0.322 -2.399 1.00 0.00 C ATOM 1691 CG ASN A 104 8.686 -0.497 -3.623 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.499 -0.780 -3.491 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.189 -0.366 -4.807 1.00 0.00 N ATOM 0 H ASN A 104 9.540 0.305 0.385 1.00 0.00 H new ATOM 0 HA ASN A 104 9.377 1.816 -2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.617 -0.219 -2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.523 -1.213 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.600 -0.498 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.175 -0.131 -4.919 1.00 0.00 H new ATOM 1700 N MET A 105 6.897 1.587 -2.051 1.00 0.00 N ATOM 1701 CA MET A 105 5.452 1.554 -1.888 1.00 0.00 C ATOM 1702 C MET A 105 4.752 1.999 -3.159 1.00 0.00 C ATOM 1703 O MET A 105 5.124 3.023 -3.761 1.00 0.00 O ATOM 1704 CB MET A 105 5.003 2.361 -0.642 1.00 0.00 C ATOM 1705 CG MET A 105 4.285 3.658 -1.036 1.00 0.00 C ATOM 1706 SD MET A 105 2.618 3.288 -1.649 1.00 0.00 S ATOM 1707 CE MET A 105 1.837 2.972 -0.046 1.00 0.00 C ATOM 0 H MET A 105 7.229 2.209 -2.788 1.00 0.00 H new ATOM 0 HA MET A 105 5.152 0.522 -1.708 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.340 1.749 -0.031 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.873 2.598 -0.029 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.225 4.325 -0.176 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.856 4.180 -1.804 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.757 3.090 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.065 1.956 0.276 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.218 3.680 0.690 1.00 0.00 H new ATOM 1717 N TYR A 106 3.764 1.228 -3.585 1.00 0.00 N ATOM 1718 CA TYR A 106 3.042 1.542 -4.809 1.00 0.00 C ATOM 1719 C TYR A 106 1.584 1.166 -4.725 1.00 0.00 C ATOM 1720 O TYR A 106 1.180 0.334 -3.898 1.00 0.00 O ATOM 1721 CB TYR A 106 3.688 0.876 -6.028 1.00 0.00 C ATOM 1722 CG TYR A 106 3.691 -0.631 -5.872 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.756 -1.263 -5.224 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.631 -1.393 -6.379 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.764 -2.650 -5.085 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.642 -2.782 -6.239 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.709 -3.410 -5.591 1.00 0.00 C ATOM 1728 OH TYR A 106 3.722 -4.786 -5.447 1.00 0.00 O ATOM 0 H TYR A 106 3.445 0.386 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 106 3.101 2.624 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.144 1.153 -6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.710 1.237 -6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.573 -0.676 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.806 -0.907 -6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.588 -3.137 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.826 -3.371 -6.631 1.00 0.00 H new ATOM 0 HH TYR A 106 2.915 -5.165 -5.853 1.00 0.00 H new ATOM 1738 N VAL A 107 0.808 1.765 -5.607 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.607 1.519 -5.697 1.00 0.00 C ATOM 1740 C VAL A 107 -0.912 0.893 -7.056 1.00 0.00 C ATOM 1741 O VAL A 107 -0.631 1.496 -8.107 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.340 2.868 -5.550 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.844 2.717 -5.783 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.088 3.441 -4.155 1.00 0.00 C ATOM 0 H VAL A 107 1.152 2.443 -6.287 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.937 0.838 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.949 3.549 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.329 3.687 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.020 2.337 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.257 2.019 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.607 4.394 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.459 2.744 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.018 3.594 -4.012 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.509 -0.290 -7.034 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.888 -0.992 -8.250 1.00 0.00 C ATOM 1756 C ASP A 108 -3.366 -0.791 -8.511 1.00 0.00 C ATOM 1757 O ASP A 108 -4.207 -1.203 -7.702 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.570 -2.492 -8.150 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.574 -3.135 -9.535 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.186 -2.590 -10.429 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -0.963 -4.172 -9.687 1.00 0.00 O ATOM 0 H ASP A 108 -1.743 -0.788 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.310 -0.582 -9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.596 -2.632 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.305 -2.984 -7.513 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.675 -0.080 -9.577 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.050 0.261 -9.900 1.00 0.00 C ATOM 1768 C VAL A 109 -5.500 -0.458 -11.173 1.00 0.00 C ATOM 1769 O VAL A 109 -4.821 -0.382 -12.203 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.172 1.782 -10.103 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.626 2.230 -9.898 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.270 2.518 -9.106 1.00 0.00 C ATOM 0 H VAL A 109 -2.987 0.276 -10.241 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.688 -0.054 -9.074 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.862 2.022 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.699 3.308 -10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.268 1.722 -10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.945 1.979 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.363 3.594 -9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.571 2.267 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.234 2.218 -9.262 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.644 -1.107 -11.142 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.219 -1.731 -12.371 1.00 0.00 C ATOM 1784 C PRO A 110 -7.771 -0.662 -13.322 1.00 0.00 C ATOM 1785 O PRO A 110 -8.212 0.409 -12.881 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.328 -2.635 -11.826 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.788 -1.940 -10.593 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.527 -1.333 -9.969 1.00 0.00 C ATOM 0 HA PRO A 110 -6.484 -2.282 -12.958 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.139 -2.749 -12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.955 -3.635 -11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.520 -1.167 -10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.269 -2.637 -9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.745 -0.403 -9.444 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.071 -2.008 -9.245 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.714 -0.931 -14.615 1.00 0.00 N ATOM 1797 CA GLY A 111 -8.169 0.027 -15.630 1.00 0.00 C ATOM 1798 C GLY A 111 -7.269 1.265 -15.675 1.00 0.00 C ATOM 1799 O GLY A 111 -6.925 1.758 -16.759 1.00 0.00 O ATOM 0 H GLY A 111 -7.357 -1.807 -14.996 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.177 -0.454 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.194 0.328 -15.414 1.00 0.00 H new ATOM 1803 N GLU A 112 -6.815 1.703 -14.514 1.00 0.00 N ATOM 1804 CA GLU A 112 -5.883 2.813 -14.411 1.00 0.00 C ATOM 1805 C GLU A 112 -4.468 2.250 -14.346 1.00 0.00 C ATOM 1806 O GLU A 112 -4.286 1.035 -14.260 1.00 0.00 O ATOM 1807 CB GLU A 112 -6.166 3.625 -13.135 1.00 0.00 C ATOM 1808 CG GLU A 112 -7.602 4.182 -13.142 1.00 0.00 C ATOM 1809 CD GLU A 112 -7.817 5.203 -14.248 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -6.854 5.782 -14.711 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -8.960 5.421 -14.597 1.00 0.00 O ATOM 0 H GLU A 112 -7.082 1.300 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.994 3.467 -15.276 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.021 2.994 -12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.454 4.447 -13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.308 3.361 -13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.816 4.643 -12.178 1.00 0.00 H new ATOM 1818 N LYS A 113 -3.474 3.110 -14.391 1.00 0.00 N ATOM 1819 CA LYS A 113 -2.094 2.654 -14.301 1.00 0.00 C ATOM 1820 C LYS A 113 -1.615 2.722 -12.860 1.00 0.00 C ATOM 1821 O LYS A 113 -1.958 3.654 -12.132 1.00 0.00 O ATOM 1822 CB LYS A 113 -1.183 3.489 -15.214 1.00 0.00 C ATOM 1823 CG LYS A 113 -1.204 2.916 -16.646 1.00 0.00 C ATOM 1824 CD LYS A 113 -2.642 2.526 -17.043 1.00 0.00 C ATOM 1825 CE LYS A 113 -2.680 2.117 -18.514 1.00 0.00 C ATOM 1826 NZ LYS A 113 -2.298 3.276 -19.363 1.00 0.00 N ATOM 0 H LYS A 113 -3.587 4.119 -14.488 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.048 1.618 -14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.517 4.527 -15.224 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -0.164 3.485 -14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.813 3.654 -17.346 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.553 2.044 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.991 1.704 -16.418 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.316 3.365 -16.872 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.998 1.285 -18.688 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.679 1.772 -18.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.955 3.350 -20.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.341 4.149 -18.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.330 3.141 -19.720 1.00 0.00 H new ATOM 1840 N ARG A 114 -0.829 1.732 -12.459 1.00 0.00 N ATOM 1841 CA ARG A 114 -0.321 1.654 -11.096 1.00 0.00 C ATOM 1842 C ARG A 114 0.501 2.883 -10.769 1.00 0.00 C ATOM 1843 O ARG A 114 1.142 3.452 -11.649 1.00 0.00 O ATOM 1844 CB ARG A 114 0.514 0.363 -10.902 1.00 0.00 C ATOM 1845 CG ARG A 114 2.016 0.650 -11.022 1.00 0.00 C ATOM 1846 CD ARG A 114 2.388 0.938 -12.479 1.00 0.00 C ATOM 1847 NE ARG A 114 3.805 1.284 -12.584 1.00 0.00 N ATOM 1848 CZ ARG A 114 4.231 2.551 -12.554 1.00 0.00 C ATOM 1849 NH1 ARG A 114 3.387 3.523 -12.360 1.00 0.00 N ATOM 1850 NH2 ARG A 114 5.488 2.814 -12.699 1.00 0.00 N ATOM 0 H ARG A 114 -0.528 0.967 -13.063 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.167 1.617 -10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.300 -0.068 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.222 -0.377 -11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.281 1.502 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.587 -0.204 -10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.174 0.065 -13.095 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.778 1.756 -12.862 1.00 0.00 H new ATOM 0 HE ARG A 114 4.490 0.535 -12.683 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.396 3.320 -12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.717 4.488 -12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.155 2.055 -12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.813 3.781 -12.676 1.00 0.00 H new ATOM 1864 N TYR A 115 0.518 3.263 -9.509 1.00 0.00 N ATOM 1865 CA TYR A 115 1.295 4.417 -9.078 1.00 0.00 C ATOM 1866 C TYR A 115 2.296 4.001 -8.017 1.00 0.00 C ATOM 1867 O TYR A 115 1.909 3.458 -6.978 1.00 0.00 O ATOM 1868 CB TYR A 115 0.359 5.487 -8.505 1.00 0.00 C ATOM 1869 CG TYR A 115 1.119 6.775 -8.283 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.206 7.716 -9.313 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.737 7.030 -7.052 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.914 8.907 -9.118 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.438 8.224 -6.862 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.526 9.158 -7.891 1.00 0.00 C ATOM 1875 OH TYR A 115 3.230 10.322 -7.698 1.00 0.00 O ATOM 0 H TYR A 115 0.005 2.794 -8.763 1.00 0.00 H new ATOM 0 HA TYR A 115 1.830 4.824 -9.936 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.472 5.659 -9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -0.069 5.141 -7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.726 7.523 -10.261 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.672 6.307 -6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.986 9.630 -9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.914 8.423 -5.913 1.00 0.00 H new ATOM 0 HH TYR A 115 3.591 10.339 -6.787 1.00 0.00 H new ATOM 1885 N TYR A 116 3.560 4.324 -8.227 1.00 0.00 N ATOM 1886 CA TYR A 116 4.570 4.048 -7.221 1.00 0.00 C ATOM 1887 C TYR A 116 4.776 5.269 -6.360 1.00 0.00 C ATOM 1888 O TYR A 116 5.491 6.202 -6.734 1.00 0.00 O ATOM 1889 CB TYR A 116 5.893 3.611 -7.878 1.00 0.00 C ATOM 1890 CG TYR A 116 5.867 2.114 -8.093 1.00 0.00 C ATOM 1891 CD1 TYR A 116 4.985 1.548 -9.020 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.721 1.289 -7.349 1.00 0.00 C ATOM 1893 CE1 TYR A 116 4.956 0.161 -9.195 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.689 -0.097 -7.532 1.00 0.00 C ATOM 1895 CZ TYR A 116 5.807 -0.659 -8.454 1.00 0.00 C ATOM 1896 OH TYR A 116 5.771 -2.022 -8.633 1.00 0.00 O ATOM 0 H TYR A 116 3.909 4.772 -9.074 1.00 0.00 H new ATOM 0 HA TYR A 116 4.226 3.227 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.028 4.125 -8.829 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.736 3.885 -7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.328 2.181 -9.599 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.404 1.724 -6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.272 -0.277 -9.907 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.348 -0.732 -6.959 1.00 0.00 H new ATOM 0 HH TYR A 116 6.427 -2.447 -8.041 1.00 0.00 H new ATOM 1906 N LEU A 117 4.122 5.264 -5.214 1.00 0.00 N ATOM 1907 CA LEU A 117 4.187 6.370 -4.282 1.00 0.00 C ATOM 1908 C LEU A 117 5.593 6.535 -3.743 1.00 0.00 C ATOM 1909 O LEU A 117 6.094 7.652 -3.634 1.00 0.00 O ATOM 1910 CB LEU A 117 3.187 6.167 -3.140 1.00 0.00 C ATOM 1911 CG LEU A 117 3.220 7.357 -2.166 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.834 8.652 -2.893 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.241 7.100 -1.020 1.00 0.00 C ATOM 0 H LEU A 117 3.531 4.492 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 117 3.920 7.284 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.182 6.052 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.421 5.247 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 117 4.230 7.465 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.862 9.485 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.538 8.837 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.828 8.554 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.262 7.942 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.234 6.985 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.528 6.190 -0.493 1.00 0.00 H new ATOM 1925 N ILE A 118 6.223 5.420 -3.402 1.00 0.00 N ATOM 1926 CA ILE A 118 7.566 5.450 -2.852 1.00 0.00 C ATOM 1927 C ILE A 118 8.517 4.645 -3.716 1.00 0.00 C ATOM 1928 O ILE A 118 8.307 3.444 -3.945 1.00 0.00 O ATOM 1929 CB ILE A 118 7.567 4.923 -1.403 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.722 5.852 -0.517 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.000 4.863 -0.858 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.576 5.250 0.886 1.00 0.00 C ATOM 0 H ILE A 118 5.825 4.486 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 118 7.910 6.484 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 118 7.143 3.919 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.192 6.834 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.738 5.998 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.985 4.489 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.598 4.196 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.437 5.861 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.976 5.915 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.086 4.279 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.562 5.128 1.334 1.00 0.00 H new ATOM 1944 N LYS A 119 9.577 5.299 -4.160 1.00 0.00 N ATOM 1945 CA LYS A 119 10.590 4.656 -4.976 1.00 0.00 C ATOM 1946 C LYS A 119 11.751 4.191 -4.104 1.00 0.00 C ATOM 1947 O LYS A 119 12.339 4.991 -3.367 1.00 0.00 O ATOM 1948 CB LYS A 119 11.115 5.620 -6.055 1.00 0.00 C ATOM 1949 CG LYS A 119 9.983 6.526 -6.584 1.00 0.00 C ATOM 1950 CD LYS A 119 8.829 5.679 -7.138 1.00 0.00 C ATOM 1951 CE LYS A 119 8.122 6.447 -8.264 1.00 0.00 C ATOM 1952 NZ LYS A 119 9.013 6.532 -9.445 1.00 0.00 N ATOM 0 H LYS A 119 9.758 6.284 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 119 10.134 3.795 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.914 6.235 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.545 5.050 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.618 7.168 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.369 7.181 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.209 4.730 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.121 5.446 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.193 5.944 -8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.856 7.448 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.439 6.565 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.593 7.393 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.634 5.698 -9.472 1.00 0.00 H new ATOM 1966 N PRO A 120 12.107 2.941 -4.184 1.00 0.00 N ATOM 1967 CA PRO A 120 13.241 2.391 -3.387 1.00 0.00 C ATOM 1968 C PRO A 120 14.575 3.017 -3.778 1.00 0.00 C ATOM 1969 O PRO A 120 14.759 3.445 -4.919 1.00 0.00 O ATOM 1970 CB PRO A 120 13.205 0.890 -3.688 1.00 0.00 C ATOM 1971 CG PRO A 120 12.535 0.780 -5.017 1.00 0.00 C ATOM 1972 CD PRO A 120 11.530 1.928 -5.085 1.00 0.00 C ATOM 0 HA PRO A 120 13.143 2.607 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 120 14.210 0.469 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.653 0.347 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.262 0.851 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 120 12.034 -0.182 -5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.423 2.308 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.539 1.615 -4.755 1.00 0.00 H new ATOM 1980 N LYS A 121 15.477 3.125 -2.811 1.00 0.00 N ATOM 1981 CA LYS A 121 16.779 3.746 -3.035 1.00 0.00 C ATOM 1982 C LYS A 121 17.615 2.912 -4.013 1.00 0.00 C ATOM 1983 O LYS A 121 18.649 2.329 -3.643 1.00 0.00 O ATOM 1984 CB LYS A 121 17.524 3.943 -1.699 1.00 0.00 C ATOM 1985 CG LYS A 121 17.157 2.822 -0.701 1.00 0.00 C ATOM 1986 CD LYS A 121 16.011 3.280 0.230 1.00 0.00 C ATOM 1987 CE LYS A 121 16.552 4.007 1.492 1.00 0.00 C ATOM 1988 NZ LYS A 121 18.027 4.216 1.412 1.00 0.00 N ATOM 0 H LYS A 121 15.331 2.789 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 121 16.620 4.728 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.600 3.944 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.269 4.914 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.856 1.927 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 121 18.031 2.555 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.343 3.947 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.421 2.415 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.052 4.970 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.314 3.422 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.328 4.861 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.513 3.303 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.269 4.630 0.489 1.00 0.00 H new