USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 923 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 44 THR OG1 : rot 178:sc= 0.284 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.529 X(o=-0.25,f=-0.71) USER MOD Set 2.1: A 25 TYR OH : rot 19:sc= 0.371 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -3.37! C(o=-2.4!,f=-8.1!) USER MOD Set 2.3: A 77 GLN : amide:sc= -0.0686 K(o=-2.4,f=-4.1) USER MOD Set 2.4: A 79 THR OG1 : rot 81:sc= 0.717 USER MOD Set 3.1: A 49 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.15) USER MOD Set 3.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 30 MET CE :methyl -168:sc= -0.0761 (180deg=-0.19) USER MOD Set 4.2: A 94 TYR OH : rot -2:sc= 0.317 USER MOD Set 5.1: A 13 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2) USER MOD Set 5.2: A 43 ASN : amide:sc= -0.0692 K(o=-1.4,f=-3.7) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 8 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.52) USER MOD Single : A 11 THR OG1 : rot 55:sc= 0.921 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 14 TYR OH : rot -19:sc= 0.175 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 40:sc= 1.02 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0947) USER MOD Single : A 59 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.5) USER MOD Single : A 63 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc=0.000913 X(o=0.00091,f=0) USER MOD Single : A 72 SER OG : rot 170:sc= 0.135 USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0266 (180deg=-0.436) USER MOD Single : A 74 SER OG : rot -170:sc=-0.00208 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -80:sc= 0.139 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 109 ASN : amide:sc= -0.192 X(o=-0.19,f=0.12) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -0.889 F(o=-4.2!,f=-0.89) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 3.852 -4.317 1.581 1.00 0.00 N ATOM 33 CA ASN A 3 4.456 -4.831 2.767 1.00 0.00 C ATOM 34 C ASN A 3 4.533 -3.663 3.687 1.00 0.00 C ATOM 35 O ASN A 3 4.602 -3.818 4.905 1.00 0.00 O ATOM 36 CB ASN A 3 5.879 -5.355 2.545 1.00 0.00 C ATOM 37 CG ASN A 3 5.799 -6.490 1.531 1.00 0.00 C ATOM 38 OD1 ASN A 3 5.146 -7.515 1.767 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.493 -6.284 0.372 1.00 0.00 N ATOM 0 HA ASN A 3 3.873 -5.672 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.527 -4.559 2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.307 -5.709 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.491 -6.997 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.013 -5.417 0.236 1.00 0.00 H new ATOM 46 N SER A 4 4.533 -2.453 3.082 1.00 0.00 N ATOM 47 CA SER A 4 4.613 -1.197 3.766 1.00 0.00 C ATOM 48 C SER A 4 3.241 -0.661 4.008 1.00 0.00 C ATOM 49 O SER A 4 3.104 0.420 4.570 1.00 0.00 O ATOM 50 CB SER A 4 5.380 -0.143 2.954 1.00 0.00 C ATOM 51 OG SER A 4 6.684 -0.616 2.654 1.00 0.00 O ATOM 0 H SER A 4 4.474 -2.350 2.069 1.00 0.00 H new ATOM 0 HA SER A 4 5.140 -1.384 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.843 0.079 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.443 0.788 3.518 1.00 0.00 H new ATOM 0 HG SER A 4 7.166 0.061 2.135 1.00 0.00 H new ATOM 57 N ARG A 5 2.187 -1.394 3.584 1.00 0.00 N ATOM 58 CA ARG A 5 0.827 -1.014 3.844 1.00 0.00 C ATOM 59 C ARG A 5 0.554 -1.337 5.278 1.00 0.00 C ATOM 60 O ARG A 5 -0.106 -0.571 5.983 1.00 0.00 O ATOM 61 CB ARG A 5 -0.179 -1.778 2.951 1.00 0.00 C ATOM 62 CG ARG A 5 -1.664 -1.420 3.145 1.00 0.00 C ATOM 63 CD ARG A 5 -1.990 0.049 2.864 1.00 0.00 C ATOM 64 NE ARG A 5 -3.458 0.227 3.043 1.00 0.00 N ATOM 65 CZ ARG A 5 -4.029 1.459 2.901 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.261 2.540 2.581 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.375 1.608 3.078 1.00 0.00 N ATOM 0 H ARG A 5 2.281 -2.261 3.054 1.00 0.00 H new ATOM 0 HA ARG A 5 0.703 0.047 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.084 -1.600 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.057 -2.846 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.268 -2.048 2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.954 -1.657 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.440 0.700 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.692 0.320 1.851 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.041 -0.578 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.256 2.430 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.692 3.459 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.951 0.800 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.805 2.527 2.973 1.00 0.00 H new ATOM 81 N TYR A 6 1.089 -2.493 5.725 1.00 0.00 N ATOM 82 CA TYR A 6 1.003 -2.943 7.065 1.00 0.00 C ATOM 83 C TYR A 6 1.811 -2.065 7.944 1.00 0.00 C ATOM 84 O TYR A 6 1.310 -1.682 8.993 1.00 0.00 O ATOM 85 CB TYR A 6 1.508 -4.378 7.090 1.00 0.00 C ATOM 86 CG TYR A 6 2.206 -4.825 8.331 1.00 0.00 C ATOM 87 CD1 TYR A 6 1.708 -4.796 9.622 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.392 -5.465 8.097 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.371 -5.443 10.639 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.013 -6.184 9.089 1.00 0.00 C ATOM 91 CZ TYR A 6 3.517 -6.160 10.375 1.00 0.00 C ATOM 92 OH TYR A 6 4.160 -6.875 11.405 1.00 0.00 O ATOM 0 H TYR A 6 1.601 -3.133 5.118 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.022 -2.907 7.433 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.659 -5.040 6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.189 -4.513 6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.793 -4.262 9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.846 -5.404 7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.991 -5.389 11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.892 -6.769 8.861 1.00 0.00 H new ATOM 0 HH TYR A 6 4.953 -7.325 11.045 1.00 0.00 H new ATOM 102 N THR A 7 3.063 -1.726 7.578 1.00 0.00 N ATOM 103 CA THR A 7 3.823 -0.892 8.461 1.00 0.00 C ATOM 104 C THR A 7 3.582 0.594 8.336 1.00 0.00 C ATOM 105 O THR A 7 4.112 1.353 9.140 1.00 0.00 O ATOM 106 CB THR A 7 5.269 -1.265 8.649 1.00 0.00 C ATOM 107 OG1 THR A 7 6.157 -0.235 8.238 1.00 0.00 O ATOM 108 CG2 THR A 7 5.628 -2.546 7.882 1.00 0.00 C ATOM 0 H THR A 7 3.530 -2.011 6.717 1.00 0.00 H new ATOM 0 HA THR A 7 3.371 -1.149 9.419 1.00 0.00 H new ATOM 0 HB THR A 7 5.388 -1.428 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.082 -0.524 8.381 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.680 -2.783 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.011 -3.370 8.241 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.448 -2.395 6.818 1.00 0.00 H new ATOM 116 N HIS A 8 2.722 1.055 7.394 1.00 0.00 N ATOM 117 CA HIS A 8 2.221 2.411 7.433 1.00 0.00 C ATOM 118 C HIS A 8 1.043 2.477 8.356 1.00 0.00 C ATOM 119 O HIS A 8 0.823 3.497 9.016 1.00 0.00 O ATOM 120 CB HIS A 8 1.811 2.988 6.071 1.00 0.00 C ATOM 121 CG HIS A 8 3.010 3.247 5.209 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.920 3.825 3.973 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.321 2.990 5.435 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.142 3.916 3.465 1.00 0.00 C ATOM 125 NE2 HIS A 8 5.011 3.416 4.334 1.00 0.00 N ATOM 0 H HIS A 8 2.376 0.497 6.613 1.00 0.00 H new ATOM 0 HA HIS A 8 3.054 3.021 7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.140 2.293 5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.258 3.916 6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.742 2.534 6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.390 4.331 2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.021 3.359 4.203 1.00 0.00 H new ATOM 134 N PHE A 9 0.302 1.345 8.449 1.00 0.00 N ATOM 135 CA PHE A 9 -0.660 1.090 9.494 1.00 0.00 C ATOM 136 C PHE A 9 0.049 1.079 10.822 1.00 0.00 C ATOM 137 O PHE A 9 -0.517 1.541 11.804 1.00 0.00 O ATOM 138 CB PHE A 9 -1.491 -0.208 9.242 1.00 0.00 C ATOM 139 CG PHE A 9 -1.968 -0.963 10.459 1.00 0.00 C ATOM 140 CD1 PHE A 9 -3.006 -0.474 11.233 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.465 -2.225 10.760 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.492 -1.209 12.297 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.987 -2.980 11.795 1.00 0.00 C ATOM 144 CZ PHE A 9 -3.002 -2.463 12.568 1.00 0.00 C ATOM 0 H PHE A 9 0.375 0.583 7.775 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.396 1.894 9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.363 0.059 8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.887 -0.885 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.439 0.489 11.004 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.650 -2.623 10.173 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.267 -0.792 12.923 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.601 -3.968 11.995 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.411 -3.041 13.384 1.00 0.00 H new ATOM 154 N LEU A 10 1.305 0.579 10.893 1.00 0.00 N ATOM 155 CA LEU A 10 2.061 0.579 12.117 1.00 0.00 C ATOM 156 C LEU A 10 2.756 1.878 12.377 1.00 0.00 C ATOM 157 O LEU A 10 3.123 2.114 13.523 1.00 0.00 O ATOM 158 CB LEU A 10 3.119 -0.543 12.243 1.00 0.00 C ATOM 159 CG LEU A 10 2.545 -1.976 12.170 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.327 -2.995 12.989 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.124 -2.127 12.692 1.00 0.00 C ATOM 0 H LEU A 10 1.798 0.173 10.098 1.00 0.00 H new ATOM 0 HA LEU A 10 1.284 0.400 12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.857 -0.420 11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.646 -0.424 13.190 1.00 0.00 H new ATOM 0 HG LEU A 10 2.602 -2.160 11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.863 -3.976 12.887 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.355 -3.040 12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.323 -2.699 14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.811 -3.167 12.599 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.088 -1.830 13.740 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.454 -1.493 12.112 1.00 0.00 H new ATOM 173 N THR A 11 2.955 2.749 11.361 1.00 0.00 N ATOM 174 CA THR A 11 3.552 4.042 11.581 1.00 0.00 C ATOM 175 C THR A 11 2.597 4.876 12.351 1.00 0.00 C ATOM 176 O THR A 11 2.945 5.443 13.385 1.00 0.00 O ATOM 177 CB THR A 11 3.967 4.777 10.320 1.00 0.00 C ATOM 178 OG1 THR A 11 4.964 4.028 9.646 1.00 0.00 O ATOM 179 CG2 THR A 11 4.553 6.168 10.637 1.00 0.00 C ATOM 0 H THR A 11 2.704 2.560 10.391 1.00 0.00 H new ATOM 0 HA THR A 11 4.478 3.866 12.129 1.00 0.00 H new ATOM 0 HB THR A 11 3.077 4.899 9.703 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.633 3.121 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.838 6.663 9.709 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.805 6.769 11.153 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.431 6.057 11.273 1.00 0.00 H new ATOM 187 N GLN A 12 1.364 4.954 11.843 1.00 0.00 N ATOM 188 CA GLN A 12 0.355 5.794 12.341 1.00 0.00 C ATOM 189 C GLN A 12 -0.235 5.219 13.582 1.00 0.00 C ATOM 190 O GLN A 12 -0.541 5.979 14.495 1.00 0.00 O ATOM 191 CB GLN A 12 -0.609 5.932 11.156 1.00 0.00 C ATOM 192 CG GLN A 12 -2.042 6.246 11.518 1.00 0.00 C ATOM 193 CD GLN A 12 -2.849 6.495 10.246 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.879 5.659 9.336 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.527 7.682 10.206 1.00 0.00 N ATOM 0 H GLN A 12 1.064 4.398 11.042 1.00 0.00 H new ATOM 0 HA GLN A 12 0.692 6.779 12.665 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.238 6.718 10.498 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.592 5.003 10.586 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.475 5.418 12.080 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.081 7.124 12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.463 8.332 10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.097 7.917 9.393 1.00 0.00 H new ATOM 204 N HIS A 13 -0.408 3.887 13.658 1.00 0.00 N ATOM 205 CA HIS A 13 -1.064 3.315 14.792 1.00 0.00 C ATOM 206 C HIS A 13 -0.080 2.792 15.787 1.00 0.00 C ATOM 207 O HIS A 13 -0.160 3.174 16.947 1.00 0.00 O ATOM 208 CB HIS A 13 -2.086 2.232 14.436 1.00 0.00 C ATOM 209 CG HIS A 13 -3.145 2.778 13.526 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.356 3.196 14.000 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.143 2.997 12.191 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.084 3.620 12.978 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.372 3.510 11.866 1.00 0.00 N ATOM 0 H HIS A 13 -0.101 3.219 12.951 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.625 4.135 15.241 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.582 1.395 13.954 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.546 1.846 15.346 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.650 3.184 14.977 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.327 2.804 11.510 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.095 3.995 13.041 1.00 0.00 H new ATOM 222 N TYR A 14 0.859 1.899 15.403 1.00 0.00 N ATOM 223 CA TYR A 14 1.618 1.195 16.404 1.00 0.00 C ATOM 224 C TYR A 14 2.677 2.118 16.946 1.00 0.00 C ATOM 225 O TYR A 14 3.534 2.614 16.218 1.00 0.00 O ATOM 226 CB TYR A 14 2.276 -0.085 15.870 1.00 0.00 C ATOM 227 CG TYR A 14 3.117 -0.765 16.893 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.556 -1.392 17.988 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.483 -0.841 16.703 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.352 -2.065 18.892 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.278 -1.513 17.602 1.00 0.00 C ATOM 232 CZ TYR A 14 4.715 -2.121 18.702 1.00 0.00 C ATOM 233 OH TYR A 14 5.536 -2.801 19.623 1.00 0.00 O ATOM 0 H TYR A 14 1.089 1.669 14.436 1.00 0.00 H new ATOM 0 HA TYR A 14 0.925 0.888 17.187 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.502 -0.771 15.527 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.891 0.161 15.004 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.487 -1.355 18.138 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.931 -0.369 15.841 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.906 -2.548 19.749 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.345 -1.564 17.445 1.00 0.00 H new ATOM 0 HH TYR A 14 5.056 -2.911 20.470 1.00 0.00 H new ATOM 243 N ASP A 15 2.615 2.370 18.263 1.00 0.00 N ATOM 244 CA ASP A 15 3.548 3.214 18.934 1.00 0.00 C ATOM 245 C ASP A 15 3.798 2.426 20.160 1.00 0.00 C ATOM 246 O ASP A 15 2.988 2.453 21.080 1.00 0.00 O ATOM 247 CB ASP A 15 3.016 4.610 19.318 1.00 0.00 C ATOM 248 CG ASP A 15 4.154 5.344 20.018 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.208 5.564 19.362 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.983 5.706 21.211 1.00 0.00 O ATOM 0 H ASP A 15 1.900 1.978 18.875 1.00 0.00 H new ATOM 0 HA ASP A 15 4.408 3.442 18.305 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.692 5.156 18.432 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.150 4.525 19.975 1.00 0.00 H new ATOM 255 N ALA A 16 4.918 1.680 20.135 1.00 0.00 N ATOM 256 CA ALA A 16 5.301 0.604 21.021 1.00 0.00 C ATOM 257 C ALA A 16 4.991 0.721 22.480 1.00 0.00 C ATOM 258 O ALA A 16 4.545 -0.258 23.073 1.00 0.00 O ATOM 259 CB ALA A 16 6.774 0.212 20.868 1.00 0.00 C ATOM 0 H ALA A 16 5.631 1.843 19.424 1.00 0.00 H new ATOM 0 HA ALA A 16 4.629 -0.175 20.661 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.008 -0.600 21.556 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.959 -0.115 19.845 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.405 1.072 21.094 1.00 0.00 H new ATOM 265 N LYS A 17 5.201 1.903 23.091 1.00 0.00 N ATOM 266 CA LYS A 17 4.649 2.170 24.396 1.00 0.00 C ATOM 267 C LYS A 17 4.259 3.622 24.428 1.00 0.00 C ATOM 268 O LYS A 17 4.891 4.415 23.732 1.00 0.00 O ATOM 269 CB LYS A 17 5.621 1.958 25.583 1.00 0.00 C ATOM 270 CG LYS A 17 5.904 0.491 25.954 1.00 0.00 C ATOM 271 CD LYS A 17 4.662 -0.277 26.436 1.00 0.00 C ATOM 272 CE LYS A 17 4.939 -1.758 26.703 1.00 0.00 C ATOM 273 NZ LYS A 17 3.685 -2.445 27.083 1.00 0.00 N ATOM 0 H LYS A 17 5.745 2.668 22.692 1.00 0.00 H new ATOM 0 HA LYS A 17 3.827 1.466 24.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.568 2.444 25.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.214 2.464 26.458 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.322 -0.020 25.086 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.663 0.463 26.736 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.287 0.187 27.348 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.875 -0.190 25.687 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.364 -2.223 25.814 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.676 -1.861 27.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.881 -3.450 27.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.297 -2.008 27.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.994 -2.360 26.310 1.00 0.00 H new ATOM 287 N PRO A 18 3.264 4.020 25.221 1.00 0.00 N ATOM 288 CA PRO A 18 2.907 5.396 25.428 1.00 0.00 C ATOM 289 C PRO A 18 3.949 6.073 26.260 1.00 0.00 C ATOM 290 O PRO A 18 4.628 5.418 27.052 1.00 0.00 O ATOM 291 CB PRO A 18 1.614 5.340 26.258 1.00 0.00 C ATOM 292 CG PRO A 18 1.526 3.912 26.791 1.00 0.00 C ATOM 293 CD PRO A 18 2.183 3.161 25.656 1.00 0.00 C ATOM 0 HA PRO A 18 2.804 5.932 24.485 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.641 6.062 27.075 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.745 5.584 25.646 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.057 3.787 27.735 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.497 3.594 26.960 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.556 2.192 25.987 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.478 2.972 24.847 1.00 0.00 H new ATOM 301 N GLN A 19 4.034 7.412 26.110 1.00 0.00 N ATOM 302 CA GLN A 19 4.820 8.247 26.957 1.00 0.00 C ATOM 303 C GLN A 19 4.036 8.435 28.213 1.00 0.00 C ATOM 304 O GLN A 19 4.515 8.165 29.313 1.00 0.00 O ATOM 305 CB GLN A 19 5.091 9.621 26.315 1.00 0.00 C ATOM 306 CG GLN A 19 5.781 9.545 24.943 1.00 0.00 C ATOM 307 CD GLN A 19 7.105 8.789 25.064 1.00 0.00 C ATOM 308 OE1 GLN A 19 8.012 9.197 25.797 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.198 7.654 24.306 1.00 0.00 N ATOM 0 H GLN A 19 3.540 7.922 25.378 1.00 0.00 H new ATOM 0 HA GLN A 19 5.789 7.782 27.139 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.146 10.152 26.206 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.712 10.210 26.990 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.130 9.043 24.227 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.960 10.550 24.561 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.415 7.367 23.719 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.051 7.095 24.328 1.00 0.00 H new ATOM 318 N GLY A 20 2.782 8.882 28.041 1.00 0.00 N ATOM 319 CA GLY A 20 1.795 8.862 29.080 1.00 0.00 C ATOM 320 C GLY A 20 0.561 8.431 28.389 1.00 0.00 C ATOM 321 O GLY A 20 0.571 8.184 27.189 1.00 0.00 O ATOM 0 H GLY A 20 2.442 9.267 27.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.068 8.171 29.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.675 9.845 29.536 1.00 0.00 H new ATOM 325 N ARG A 21 -0.537 8.330 29.146 1.00 0.00 N ATOM 326 CA ARG A 21 -1.795 7.889 28.606 1.00 0.00 C ATOM 327 C ARG A 21 -2.756 8.999 28.859 1.00 0.00 C ATOM 328 O ARG A 21 -3.743 8.838 29.578 1.00 0.00 O ATOM 329 CB ARG A 21 -2.318 6.589 29.248 1.00 0.00 C ATOM 330 CG ARG A 21 -1.483 5.352 28.872 1.00 0.00 C ATOM 331 CD ARG A 21 -1.833 4.115 29.705 1.00 0.00 C ATOM 332 NE ARG A 21 -3.256 3.753 29.432 1.00 0.00 N ATOM 333 CZ ARG A 21 -4.005 3.053 30.336 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.472 2.656 31.526 1.00 0.00 N ATOM 335 NH2 ARG A 21 -5.299 2.733 30.035 1.00 0.00 N ATOM 0 H ARG A 21 -0.563 8.553 30.141 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.674 7.660 27.547 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.321 6.702 30.332 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.352 6.429 28.941 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.634 5.126 27.816 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.425 5.582 29.001 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.174 3.285 29.448 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.690 4.319 30.766 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.680 4.035 28.548 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.503 2.881 31.751 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.042 2.134 32.191 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.700 3.016 29.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.864 2.211 30.705 1.00 0.00 H new ATOM 349 N ASP A 22 -2.461 10.172 28.266 1.00 0.00 N ATOM 350 CA ASP A 22 -3.247 11.347 28.483 1.00 0.00 C ATOM 351 C ASP A 22 -3.145 12.158 27.235 1.00 0.00 C ATOM 352 O ASP A 22 -2.489 11.755 26.274 1.00 0.00 O ATOM 353 CB ASP A 22 -2.824 12.177 29.717 1.00 0.00 C ATOM 354 CG ASP A 22 -1.429 12.784 29.566 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.440 12.023 29.403 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.343 14.038 29.642 1.00 0.00 O ATOM 0 H ASP A 22 -1.673 10.306 27.633 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.272 11.049 28.702 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.548 12.975 29.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.846 11.542 30.603 1.00 0.00 H new ATOM 361 N ASP A 23 -3.813 13.333 27.229 1.00 0.00 N ATOM 362 CA ASP A 23 -3.986 14.150 26.056 1.00 0.00 C ATOM 363 C ASP A 23 -2.749 14.906 25.666 1.00 0.00 C ATOM 364 O ASP A 23 -2.703 15.473 24.578 1.00 0.00 O ATOM 365 CB ASP A 23 -5.142 15.166 26.180 1.00 0.00 C ATOM 366 CG ASP A 23 -4.850 16.216 27.250 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.794 15.854 28.455 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.701 17.408 26.869 1.00 0.00 O ATOM 0 H ASP A 23 -4.246 13.727 28.064 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.225 13.423 25.279 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.301 15.657 25.220 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.065 14.641 26.426 1.00 0.00 H new ATOM 373 N ARG A 24 -1.714 14.922 26.537 1.00 0.00 N ATOM 374 CA ARG A 24 -0.448 15.514 26.220 1.00 0.00 C ATOM 375 C ARG A 24 0.314 14.563 25.352 1.00 0.00 C ATOM 376 O ARG A 24 1.061 14.998 24.479 1.00 0.00 O ATOM 377 CB ARG A 24 0.387 15.847 27.478 1.00 0.00 C ATOM 378 CG ARG A 24 1.707 16.600 27.234 1.00 0.00 C ATOM 379 CD ARG A 24 1.538 17.955 26.540 1.00 0.00 C ATOM 380 NE ARG A 24 2.892 18.559 26.400 1.00 0.00 N ATOM 381 CZ ARG A 24 3.064 19.732 25.724 1.00 0.00 C ATOM 382 NH1 ARG A 24 1.992 20.376 25.177 1.00 0.00 N ATOM 383 NH2 ARG A 24 4.315 20.264 25.595 1.00 0.00 N ATOM 0 H ARG A 24 -1.760 14.518 27.472 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.636 16.457 25.706 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.229 16.444 28.151 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.614 14.915 27.996 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.206 16.754 28.190 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.363 15.974 26.629 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.071 17.830 25.563 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.886 18.606 27.123 1.00 0.00 H new ATOM 0 HE ARG A 24 3.699 18.091 26.813 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.057 19.981 25.272 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.126 21.252 24.673 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.118 19.785 26.003 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.447 21.141 25.090 1.00 0.00 H new ATOM 397 N TYR A 25 0.124 13.242 25.573 1.00 0.00 N ATOM 398 CA TYR A 25 0.787 12.225 24.803 1.00 0.00 C ATOM 399 C TYR A 25 0.124 12.146 23.474 1.00 0.00 C ATOM 400 O TYR A 25 0.807 11.957 22.474 1.00 0.00 O ATOM 401 CB TYR A 25 0.745 10.830 25.466 1.00 0.00 C ATOM 402 CG TYR A 25 0.873 9.695 24.484 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.060 9.417 23.820 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.221 8.873 24.257 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.137 8.366 22.927 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.144 7.823 23.367 1.00 0.00 C ATOM 407 CZ TYR A 25 1.032 7.573 22.697 1.00 0.00 C ATOM 408 OH TYR A 25 1.098 6.507 21.778 1.00 0.00 O ATOM 0 H TYR A 25 -0.497 12.876 26.295 1.00 0.00 H new ATOM 0 HA TYR A 25 1.838 12.505 24.723 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.550 10.760 26.198 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.192 10.724 26.012 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.931 10.028 24.003 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.145 9.058 24.784 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.063 8.165 22.409 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.007 7.196 23.195 1.00 0.00 H new ATOM 0 HH TYR A 25 2.036 6.273 21.615 1.00 0.00 H new ATOM 418 N CYS A 26 -1.218 12.271 23.450 1.00 0.00 N ATOM 419 CA CYS A 26 -1.990 12.126 22.254 1.00 0.00 C ATOM 420 C CYS A 26 -1.751 13.230 21.269 1.00 0.00 C ATOM 421 O CYS A 26 -1.605 12.982 20.071 1.00 0.00 O ATOM 422 CB CYS A 26 -3.483 12.063 22.547 1.00 0.00 C ATOM 423 SG CYS A 26 -4.355 11.858 20.992 1.00 0.00 S ATOM 0 H CYS A 26 -1.776 12.477 24.278 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.658 11.185 21.816 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.703 11.233 23.218 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.810 12.974 23.048 1.00 0.00 H new ATOM 428 N GLU A 27 -1.687 14.477 21.766 1.00 0.00 N ATOM 429 CA GLU A 27 -1.449 15.634 20.942 1.00 0.00 C ATOM 430 C GLU A 27 -0.015 15.693 20.519 1.00 0.00 C ATOM 431 O GLU A 27 0.275 16.166 19.417 1.00 0.00 O ATOM 432 CB GLU A 27 -1.809 16.962 21.629 1.00 0.00 C ATOM 433 CG GLU A 27 -3.324 17.139 21.800 1.00 0.00 C ATOM 434 CD GLU A 27 -3.586 18.387 22.628 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.155 19.490 22.199 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.228 18.252 23.705 1.00 0.00 O ATOM 0 H GLU A 27 -1.802 14.692 22.756 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.104 15.517 20.079 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.328 17.005 22.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.413 17.791 21.042 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.805 17.226 20.826 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.752 16.265 22.291 1.00 0.00 H new ATOM 443 N SER A 28 0.907 15.195 21.379 1.00 0.00 N ATOM 444 CA SER A 28 2.302 15.124 21.051 1.00 0.00 C ATOM 445 C SER A 28 2.557 14.140 19.959 1.00 0.00 C ATOM 446 O SER A 28 3.389 14.410 19.100 1.00 0.00 O ATOM 447 CB SER A 28 3.213 14.749 22.233 1.00 0.00 C ATOM 448 OG SER A 28 4.574 14.724 21.831 1.00 0.00 O ATOM 0 H SER A 28 0.679 14.840 22.308 1.00 0.00 H new ATOM 0 HA SER A 28 2.550 16.138 20.737 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.081 15.467 23.042 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.926 13.773 22.624 1.00 0.00 H new ATOM 0 HG SER A 28 5.137 14.485 22.597 1.00 0.00 H new ATOM 454 N ILE A 29 1.848 12.990 19.962 1.00 0.00 N ATOM 455 CA ILE A 29 2.090 11.952 18.996 1.00 0.00 C ATOM 456 C ILE A 29 1.427 12.256 17.692 1.00 0.00 C ATOM 457 O ILE A 29 1.903 11.803 16.657 1.00 0.00 O ATOM 458 CB ILE A 29 1.879 10.509 19.452 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.513 9.525 18.445 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.398 10.166 19.695 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.780 8.142 19.017 1.00 0.00 C ATOM 0 H ILE A 29 1.108 12.779 20.632 1.00 0.00 H new ATOM 0 HA ILE A 29 3.171 11.980 18.856 1.00 0.00 H new ATOM 0 HB ILE A 29 2.381 10.407 20.414 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.854 9.429 17.582 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.452 9.945 18.084 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.313 9.128 20.017 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.005 10.820 20.469 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.164 10.307 18.772 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.225 7.510 18.249 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.464 8.223 19.861 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.842 7.699 19.352 1.00 0.00 H new ATOM 473 N MET A 30 0.342 13.059 17.673 1.00 0.00 N ATOM 474 CA MET A 30 -0.168 13.464 16.394 1.00 0.00 C ATOM 475 C MET A 30 0.698 14.508 15.763 1.00 0.00 C ATOM 476 O MET A 30 0.773 14.568 14.538 1.00 0.00 O ATOM 477 CB MET A 30 -1.592 14.009 16.405 1.00 0.00 C ATOM 478 CG MET A 30 -2.608 12.933 16.004 1.00 0.00 C ATOM 479 SD MET A 30 -3.264 11.941 17.367 1.00 0.00 S ATOM 480 CE MET A 30 -4.490 11.150 16.286 1.00 0.00 C ATOM 0 H MET A 30 -0.157 13.411 18.490 1.00 0.00 H new ATOM 0 HA MET A 30 -0.168 12.536 15.822 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.831 14.384 17.400 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.665 14.853 15.720 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.442 13.416 15.494 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.138 12.264 15.283 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.216 10.610 16.894 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.003 11.912 15.699 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.988 10.452 15.616 1.00 0.00 H new ATOM 490 N ARG A 31 1.376 15.348 16.572 1.00 0.00 N ATOM 491 CA ARG A 31 2.272 16.338 16.040 1.00 0.00 C ATOM 492 C ARG A 31 3.579 15.735 15.573 1.00 0.00 C ATOM 493 O ARG A 31 4.200 16.255 14.646 1.00 0.00 O ATOM 494 CB ARG A 31 2.536 17.471 17.048 1.00 0.00 C ATOM 495 CG ARG A 31 3.061 18.760 16.405 1.00 0.00 C ATOM 496 CD ARG A 31 2.940 19.966 17.337 1.00 0.00 C ATOM 497 NE ARG A 31 3.389 21.172 16.584 1.00 0.00 N ATOM 498 CZ ARG A 31 3.174 22.427 17.078 1.00 0.00 C ATOM 499 NH1 ARG A 31 2.552 22.599 18.281 1.00 0.00 N ATOM 500 NH2 ARG A 31 3.584 23.517 16.364 1.00 0.00 N ATOM 0 H ARG A 31 1.306 15.343 17.590 1.00 0.00 H new ATOM 0 HA ARG A 31 1.772 16.764 15.170 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.612 17.692 17.582 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.257 17.125 17.789 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.106 18.624 16.125 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.508 18.957 15.487 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.910 20.087 17.673 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.551 19.823 18.228 1.00 0.00 H new ATOM 0 HE ARG A 31 3.863 21.058 15.688 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.245 21.787 18.817 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.395 23.539 18.644 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.049 23.392 15.465 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.425 24.456 16.730 1.00 0.00 H new ATOM 514 N ARG A 32 4.023 14.624 16.207 1.00 0.00 N ATOM 515 CA ARG A 32 5.266 13.965 15.893 1.00 0.00 C ATOM 516 C ARG A 32 5.123 13.121 14.668 1.00 0.00 C ATOM 517 O ARG A 32 6.004 13.128 13.809 1.00 0.00 O ATOM 518 CB ARG A 32 5.739 13.001 16.998 1.00 0.00 C ATOM 519 CG ARG A 32 6.391 13.715 18.189 1.00 0.00 C ATOM 520 CD ARG A 32 6.405 12.864 19.465 1.00 0.00 C ATOM 521 NE ARG A 32 7.194 11.624 19.222 1.00 0.00 N ATOM 522 CZ ARG A 32 7.245 10.645 20.173 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.538 10.773 21.334 1.00 0.00 N ATOM 524 NH2 ARG A 32 8.006 9.532 19.962 1.00 0.00 N ATOM 0 H ARG A 32 3.503 14.171 16.959 1.00 0.00 H new ATOM 0 HA ARG A 32 5.985 14.775 15.766 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.887 12.421 17.353 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.451 12.294 16.573 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.414 13.985 17.928 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.857 14.645 18.385 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.840 13.430 20.288 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.386 12.609 19.757 1.00 0.00 H new ATOM 0 HE ARG A 32 7.698 11.506 18.343 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.968 11.603 21.495 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.580 10.038 22.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.535 9.433 19.096 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.046 8.799 20.671 1.00 0.00 H new ATOM 538 N ARG A 33 4.016 12.350 14.584 1.00 0.00 N ATOM 539 CA ARG A 33 3.824 11.381 13.541 1.00 0.00 C ATOM 540 C ARG A 33 3.335 12.047 12.292 1.00 0.00 C ATOM 541 O ARG A 33 3.572 11.553 11.191 1.00 0.00 O ATOM 542 CB ARG A 33 2.815 10.290 13.956 1.00 0.00 C ATOM 543 CG ARG A 33 3.159 8.857 13.520 1.00 0.00 C ATOM 544 CD ARG A 33 4.510 8.339 14.040 1.00 0.00 C ATOM 545 NE ARG A 33 4.603 8.551 15.513 1.00 0.00 N ATOM 546 CZ ARG A 33 5.790 8.360 16.161 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.892 7.946 15.473 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.875 8.584 17.504 1.00 0.00 N ATOM 0 H ARG A 33 3.244 12.400 15.249 1.00 0.00 H new ATOM 0 HA ARG A 33 4.790 10.911 13.357 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.719 10.306 15.042 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.839 10.550 13.546 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.371 8.187 13.864 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.162 8.813 12.431 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.616 7.279 13.809 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.326 8.858 13.537 1.00 0.00 H new ATOM 0 HE ARG A 33 3.778 8.840 16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.833 7.777 14.469 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.776 7.805 15.963 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.053 8.894 18.022 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.761 8.442 17.990 1.00 0.00 H new ATOM 562 N GLY A 34 2.657 13.203 12.451 1.00 0.00 N ATOM 563 CA GLY A 34 2.288 14.037 11.345 1.00 0.00 C ATOM 564 C GLY A 34 0.943 13.634 10.851 1.00 0.00 C ATOM 565 O GLY A 34 0.747 13.457 9.650 1.00 0.00 O ATOM 0 H GLY A 34 2.362 13.563 13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.277 15.083 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.024 13.947 10.546 1.00 0.00 H new ATOM 569 N LEU A 35 -0.020 13.501 11.790 1.00 0.00 N ATOM 570 CA LEU A 35 -1.394 13.247 11.459 1.00 0.00 C ATOM 571 C LEU A 35 -2.165 14.429 11.937 1.00 0.00 C ATOM 572 O LEU A 35 -3.389 14.384 12.052 1.00 0.00 O ATOM 573 CB LEU A 35 -2.039 12.073 12.207 1.00 0.00 C ATOM 574 CG LEU A 35 -1.205 10.779 12.334 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.951 9.746 13.198 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.819 10.182 10.970 1.00 0.00 C ATOM 0 H LEU A 35 0.158 13.571 12.792 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.414 13.036 10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.295 12.411 13.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.975 11.825 11.706 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.270 11.047 12.827 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.352 8.839 13.279 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.121 10.159 14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.909 9.508 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.234 9.275 11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.722 9.942 10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.226 10.906 10.411 1.00 0.00 H new ATOM 588 N THR A 36 -1.433 15.521 12.241 1.00 0.00 N ATOM 589 CA THR A 36 -1.982 16.733 12.777 1.00 0.00 C ATOM 590 C THR A 36 -2.437 17.598 11.642 1.00 0.00 C ATOM 591 O THR A 36 -3.169 18.566 11.840 1.00 0.00 O ATOM 592 CB THR A 36 -0.992 17.469 13.666 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.549 18.656 14.207 1.00 0.00 O ATOM 594 CG2 THR A 36 0.318 17.805 12.924 1.00 0.00 C ATOM 0 H THR A 36 -0.422 15.561 12.109 1.00 0.00 H new ATOM 0 HA THR A 36 -2.831 16.481 13.413 1.00 0.00 H new ATOM 0 HB THR A 36 -0.759 16.787 14.484 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.480 18.492 14.467 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.994 18.330 13.599 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.789 16.883 12.583 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.097 18.439 12.065 1.00 0.00 H new ATOM 602 N SER A 37 -2.015 17.246 10.411 1.00 0.00 N ATOM 603 CA SER A 37 -2.278 18.007 9.236 1.00 0.00 C ATOM 604 C SER A 37 -3.002 17.132 8.254 1.00 0.00 C ATOM 605 O SER A 37 -2.340 16.317 7.613 1.00 0.00 O ATOM 606 CB SER A 37 -0.949 18.385 8.577 1.00 0.00 C ATOM 607 OG SER A 37 -0.284 19.381 9.339 1.00 0.00 O ATOM 0 H SER A 37 -1.472 16.401 10.233 1.00 0.00 H new ATOM 0 HA SER A 37 -2.858 18.891 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.316 17.502 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.128 18.751 7.566 1.00 0.00 H new ATOM 0 HG SER A 37 0.565 19.611 8.907 1.00 0.00 H new ATOM 613 N PRO A 38 -4.305 17.234 8.035 1.00 0.00 N ATOM 614 CA PRO A 38 -5.305 17.775 8.920 1.00 0.00 C ATOM 615 C PRO A 38 -5.525 16.757 10.005 1.00 0.00 C ATOM 616 O PRO A 38 -5.156 15.595 9.828 1.00 0.00 O ATOM 617 CB PRO A 38 -6.551 17.891 8.038 1.00 0.00 C ATOM 618 CG PRO A 38 -6.393 16.780 6.996 1.00 0.00 C ATOM 619 CD PRO A 38 -4.876 16.673 6.824 1.00 0.00 C ATOM 0 HA PRO A 38 -5.045 18.729 9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.463 17.761 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.612 18.871 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.826 15.841 7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.887 17.034 6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.569 15.636 6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.542 17.221 5.943 1.00 0.00 H new ATOM 627 N CYS A 39 -6.112 17.205 11.141 1.00 0.00 N ATOM 628 CA CYS A 39 -6.320 16.419 12.317 1.00 0.00 C ATOM 629 C CYS A 39 -7.186 15.237 12.028 1.00 0.00 C ATOM 630 O CYS A 39 -8.298 15.370 11.514 1.00 0.00 O ATOM 631 CB CYS A 39 -7.021 17.227 13.414 1.00 0.00 C ATOM 632 SG CYS A 39 -6.097 18.721 13.848 1.00 0.00 S ATOM 0 H CYS A 39 -6.455 18.161 11.237 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.331 16.102 12.650 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.021 17.503 13.079 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.143 16.605 14.301 1.00 0.00 H new ATOM 637 N LYS A 40 -6.641 14.050 12.364 1.00 0.00 N ATOM 638 CA LYS A 40 -7.267 12.780 12.157 1.00 0.00 C ATOM 639 C LYS A 40 -8.368 12.668 13.162 1.00 0.00 C ATOM 640 O LYS A 40 -8.189 13.015 14.327 1.00 0.00 O ATOM 641 CB LYS A 40 -6.249 11.634 12.350 1.00 0.00 C ATOM 642 CG LYS A 40 -6.748 10.221 12.011 1.00 0.00 C ATOM 643 CD LYS A 40 -7.159 10.019 10.547 1.00 0.00 C ATOM 644 CE LYS A 40 -7.565 8.572 10.256 1.00 0.00 C ATOM 645 NZ LYS A 40 -7.950 8.422 8.837 1.00 0.00 N ATOM 0 H LYS A 40 -5.722 13.975 12.800 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.655 12.704 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.374 11.845 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.918 11.641 13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.963 9.505 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.601 9.989 12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.990 10.683 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.331 10.300 9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.738 7.901 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.398 8.285 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.223 7.435 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.753 9.048 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.145 8.677 8.230 1.00 0.00 H new ATOM 659 N ASP A 41 -9.547 12.197 12.701 1.00 0.00 N ATOM 660 CA ASP A 41 -10.750 12.208 13.483 1.00 0.00 C ATOM 661 C ASP A 41 -10.726 11.145 14.530 1.00 0.00 C ATOM 662 O ASP A 41 -11.177 11.381 15.649 1.00 0.00 O ATOM 663 CB ASP A 41 -12.016 12.006 12.638 1.00 0.00 C ATOM 664 CG ASP A 41 -12.061 13.115 11.598 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.126 14.306 12.003 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.028 12.786 10.382 1.00 0.00 O ATOM 0 H ASP A 41 -9.666 11.802 11.768 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.785 13.197 13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.001 11.029 12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.905 12.036 13.268 1.00 0.00 H new ATOM 671 N ILE A 42 -10.205 9.946 14.198 1.00 0.00 N ATOM 672 CA ILE A 42 -10.026 8.949 15.210 1.00 0.00 C ATOM 673 C ILE A 42 -8.833 8.143 14.813 1.00 0.00 C ATOM 674 O ILE A 42 -8.688 7.759 13.653 1.00 0.00 O ATOM 675 CB ILE A 42 -11.262 8.104 15.481 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.114 7.357 16.821 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.625 7.178 14.299 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.452 6.841 17.336 1.00 0.00 C ATOM 0 H ILE A 42 -9.916 9.673 13.259 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.858 9.432 16.173 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.116 8.775 15.575 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.426 6.521 16.696 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.673 8.024 17.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.514 6.600 14.550 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.822 7.780 13.412 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.795 6.500 14.100 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.302 6.321 18.282 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.132 7.680 17.487 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.881 6.153 16.608 1.00 0.00 H new ATOM 690 N ASN A 43 -7.932 7.890 15.783 1.00 0.00 N ATOM 691 CA ASN A 43 -6.774 7.092 15.495 1.00 0.00 C ATOM 692 C ASN A 43 -6.368 6.412 16.755 1.00 0.00 C ATOM 693 O ASN A 43 -6.075 7.064 17.753 1.00 0.00 O ATOM 694 CB ASN A 43 -5.570 7.899 14.990 1.00 0.00 C ATOM 695 CG ASN A 43 -4.633 6.957 14.240 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.928 6.564 13.106 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.487 6.605 14.894 1.00 0.00 N ATOM 0 H ASN A 43 -8.000 8.227 16.743 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.051 6.400 14.700 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.902 8.704 14.334 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.049 8.364 15.827 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.815 5.982 14.446 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.303 6.965 15.830 1.00 0.00 H new ATOM 704 N THR A 44 -6.338 5.069 16.720 1.00 0.00 N ATOM 705 CA THR A 44 -6.044 4.293 17.886 1.00 0.00 C ATOM 706 C THR A 44 -4.607 3.897 17.847 1.00 0.00 C ATOM 707 O THR A 44 -4.210 3.091 17.007 1.00 0.00 O ATOM 708 CB THR A 44 -6.913 3.073 17.940 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.257 3.492 17.775 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.766 2.369 19.297 1.00 0.00 C ATOM 0 H THR A 44 -6.518 4.517 15.881 1.00 0.00 H new ATOM 0 HA THR A 44 -6.242 4.888 18.778 1.00 0.00 H new ATOM 0 HB THR A 44 -6.621 2.375 17.156 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.847 2.709 17.779 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.404 1.485 19.319 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.728 2.071 19.442 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.062 3.050 20.094 1.00 0.00 H new ATOM 718 N PHE A 45 -3.800 4.450 18.778 1.00 0.00 N ATOM 719 CA PHE A 45 -2.408 4.113 18.852 1.00 0.00 C ATOM 720 C PHE A 45 -2.271 2.872 19.677 1.00 0.00 C ATOM 721 O PHE A 45 -2.585 2.868 20.863 1.00 0.00 O ATOM 722 CB PHE A 45 -1.466 5.187 19.446 1.00 0.00 C ATOM 723 CG PHE A 45 -1.406 6.383 18.545 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.430 7.307 18.605 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.351 6.617 17.671 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.442 8.404 17.772 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.342 7.740 16.868 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.398 8.623 16.897 1.00 0.00 C ATOM 0 H PHE A 45 -4.110 5.127 19.475 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.091 3.996 17.816 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.820 5.484 20.433 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.467 4.772 19.577 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.232 7.168 19.314 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.468 5.915 17.620 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.271 9.095 17.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.497 7.927 16.214 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.409 9.480 16.240 1.00 0.00 H new ATOM 738 N ILE A 46 -1.784 1.787 19.039 1.00 0.00 N ATOM 739 CA ILE A 46 -1.641 0.489 19.643 1.00 0.00 C ATOM 740 C ILE A 46 -0.301 0.491 20.290 1.00 0.00 C ATOM 741 O ILE A 46 0.603 1.181 19.841 1.00 0.00 O ATOM 742 CB ILE A 46 -1.559 -0.625 18.609 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.554 -0.452 17.442 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.676 -2.015 19.261 1.00 0.00 C ATOM 745 CD1 ILE A 46 -4.016 -0.367 17.870 1.00 0.00 C ATOM 0 H ILE A 46 -1.478 1.813 18.066 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.491 0.318 20.304 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.566 -0.550 18.165 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.296 0.452 16.891 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.437 -1.289 16.754 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.613 -2.784 18.491 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.865 -2.151 19.977 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.633 -2.095 19.777 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.647 -0.246 16.989 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.296 -1.281 18.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.152 0.487 18.533 1.00 0.00 H new ATOM 757 N HIS A 47 -0.145 -0.292 21.366 1.00 0.00 N ATOM 758 CA HIS A 47 1.085 -0.412 22.087 1.00 0.00 C ATOM 759 C HIS A 47 1.183 -1.829 22.537 1.00 0.00 C ATOM 760 O HIS A 47 0.197 -2.419 22.975 1.00 0.00 O ATOM 761 CB HIS A 47 1.124 0.401 23.382 1.00 0.00 C ATOM 762 CG HIS A 47 0.290 1.642 23.372 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.571 2.725 22.571 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.752 2.026 24.161 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.295 3.701 22.909 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.118 3.328 23.868 1.00 0.00 N ATOM 0 H HIS A 47 -0.898 -0.862 21.750 1.00 0.00 H new ATOM 0 HA HIS A 47 1.877 -0.066 21.423 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.793 -0.235 24.203 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.158 0.677 23.589 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.297 2.779 21.857 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.224 1.404 24.907 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.312 4.677 22.447 1.00 0.00 H new ATOM 774 N GLY A 48 2.395 -2.407 22.482 1.00 0.00 N ATOM 775 CA GLY A 48 2.562 -3.730 22.998 1.00 0.00 C ATOM 776 C GLY A 48 3.808 -4.276 22.405 1.00 0.00 C ATOM 777 O GLY A 48 4.869 -3.662 22.498 1.00 0.00 O ATOM 0 H GLY A 48 3.234 -1.977 22.094 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.628 -3.714 24.086 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.707 -4.355 22.740 1.00 0.00 H new ATOM 781 N ASN A 49 3.680 -5.467 21.787 1.00 0.00 N ATOM 782 CA ASN A 49 4.775 -6.143 21.165 1.00 0.00 C ATOM 783 C ASN A 49 4.389 -6.278 19.728 1.00 0.00 C ATOM 784 O ASN A 49 3.248 -6.593 19.405 1.00 0.00 O ATOM 785 CB ASN A 49 5.026 -7.523 21.798 1.00 0.00 C ATOM 786 CG ASN A 49 6.278 -8.163 21.203 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.359 -7.564 21.170 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.110 -9.437 20.738 1.00 0.00 N ATOM 0 H ASN A 49 2.795 -5.970 21.719 1.00 0.00 H new ATOM 0 HA ASN A 49 5.705 -5.588 21.289 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.141 -7.420 22.877 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.165 -8.169 21.630 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.901 -9.942 20.338 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.194 -9.882 20.791 1.00 0.00 H new ATOM 795 N LYS A 50 5.350 -6.019 18.822 1.00 0.00 N ATOM 796 CA LYS A 50 5.059 -5.834 17.430 1.00 0.00 C ATOM 797 C LYS A 50 5.012 -7.152 16.721 1.00 0.00 C ATOM 798 O LYS A 50 4.407 -7.277 15.654 1.00 0.00 O ATOM 799 CB LYS A 50 6.185 -5.002 16.783 1.00 0.00 C ATOM 800 CG LYS A 50 5.878 -4.357 15.427 1.00 0.00 C ATOM 801 CD LYS A 50 7.070 -3.517 14.944 1.00 0.00 C ATOM 802 CE LYS A 50 6.777 -2.693 13.691 1.00 0.00 C ATOM 803 NZ LYS A 50 7.957 -1.886 13.313 1.00 0.00 N ATOM 0 H LYS A 50 6.339 -5.937 19.056 1.00 0.00 H new ATOM 0 HA LYS A 50 4.095 -5.332 17.347 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.466 -4.212 17.479 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.057 -5.646 16.663 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.651 -5.131 14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.992 -3.727 15.510 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.377 -2.845 15.745 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.912 -4.180 14.743 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.504 -3.355 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.924 -2.039 13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.740 -1.332 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.200 -1.241 14.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.762 -2.516 13.121 1.00 0.00 H new ATOM 817 N ARG A 51 5.644 -8.180 17.328 1.00 0.00 N ATOM 818 CA ARG A 51 5.616 -9.522 16.825 1.00 0.00 C ATOM 819 C ARG A 51 4.310 -10.138 17.230 1.00 0.00 C ATOM 820 O ARG A 51 3.848 -11.082 16.593 1.00 0.00 O ATOM 821 CB ARG A 51 6.791 -10.369 17.355 1.00 0.00 C ATOM 822 CG ARG A 51 6.988 -11.731 16.671 1.00 0.00 C ATOM 823 CD ARG A 51 8.172 -12.496 17.268 1.00 0.00 C ATOM 824 NE ARG A 51 8.252 -13.824 16.595 1.00 0.00 N ATOM 825 CZ ARG A 51 9.165 -14.753 17.007 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.024 -14.469 18.028 1.00 0.00 N ATOM 827 NH2 ARG A 51 9.218 -15.972 16.395 1.00 0.00 N ATOM 0 H ARG A 51 6.185 -8.075 18.186 1.00 0.00 H new ATOM 0 HA ARG A 51 5.717 -9.495 15.740 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.709 -9.792 17.247 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.643 -10.536 18.422 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.080 -12.326 16.775 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.151 -11.582 15.604 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.098 -11.939 17.122 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.041 -12.621 18.343 1.00 0.00 H new ATOM 0 HE ARG A 51 7.622 -14.040 15.823 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.987 -13.559 18.488 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.704 -15.166 18.332 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.577 -16.188 15.632 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.899 -16.667 16.701 1.00 0.00 H new ATOM 841 N SER A 52 3.677 -9.594 18.293 1.00 0.00 N ATOM 842 CA SER A 52 2.360 -9.958 18.682 1.00 0.00 C ATOM 843 C SER A 52 1.344 -9.340 17.775 1.00 0.00 C ATOM 844 O SER A 52 0.338 -9.999 17.541 1.00 0.00 O ATOM 845 CB SER A 52 2.037 -9.626 20.138 1.00 0.00 C ATOM 846 OG SER A 52 2.832 -10.423 21.003 1.00 0.00 O ATOM 0 H SER A 52 4.100 -8.884 18.891 1.00 0.00 H new ATOM 0 HA SER A 52 2.316 -11.043 18.593 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.224 -8.569 20.329 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.980 -9.804 20.335 1.00 0.00 H new ATOM 0 HG SER A 52 2.622 -10.204 21.935 1.00 0.00 H new ATOM 852 N ILE A 53 1.569 -8.098 17.247 1.00 0.00 N ATOM 853 CA ILE A 53 0.714 -7.523 16.213 1.00 0.00 C ATOM 854 C ILE A 53 0.688 -8.424 15.002 1.00 0.00 C ATOM 855 O ILE A 53 -0.404 -8.760 14.538 1.00 0.00 O ATOM 856 CB ILE A 53 1.018 -6.075 15.793 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.339 -5.051 16.734 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.535 -5.756 14.355 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.173 -4.652 17.944 1.00 0.00 C ATOM 0 H ILE A 53 2.339 -7.494 17.534 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.267 -7.460 16.683 1.00 0.00 H new ATOM 0 HB ILE A 53 2.103 -5.990 15.846 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.100 -4.154 16.162 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.606 -5.468 17.082 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.775 -4.721 14.112 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.033 -6.420 13.648 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.543 -5.902 14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.619 -3.932 18.546 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.390 -5.536 18.544 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.108 -4.202 17.609 1.00 0.00 H new ATOM 871 N LYS A 54 1.874 -8.832 14.476 1.00 0.00 N ATOM 872 CA LYS A 54 1.985 -9.670 13.300 1.00 0.00 C ATOM 873 C LYS A 54 1.317 -11.003 13.517 1.00 0.00 C ATOM 874 O LYS A 54 0.626 -11.514 12.634 1.00 0.00 O ATOM 875 CB LYS A 54 3.446 -9.937 12.891 1.00 0.00 C ATOM 876 CG LYS A 54 3.577 -10.466 11.454 1.00 0.00 C ATOM 877 CD LYS A 54 5.030 -10.530 10.969 1.00 0.00 C ATOM 878 CE LYS A 54 5.158 -10.988 9.512 1.00 0.00 C ATOM 879 NZ LYS A 54 4.625 -12.358 9.344 1.00 0.00 N ATOM 0 H LYS A 54 2.776 -8.574 14.877 1.00 0.00 H new ATOM 0 HA LYS A 54 1.490 -9.116 12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.019 -9.015 12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.885 -10.659 13.580 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.137 -11.462 11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.004 -9.826 10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.486 -9.546 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.591 -11.212 11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.618 -10.300 8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.204 -10.960 9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.858 -12.707 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.050 -12.986 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.592 -12.346 9.465 1.00 0.00 H new ATOM 893 N ALA A 55 1.490 -11.576 14.732 1.00 0.00 N ATOM 894 CA ALA A 55 0.969 -12.866 15.084 1.00 0.00 C ATOM 895 C ALA A 55 -0.450 -12.829 15.581 1.00 0.00 C ATOM 896 O ALA A 55 -0.889 -13.777 16.232 1.00 0.00 O ATOM 897 CB ALA A 55 1.808 -13.563 16.164 1.00 0.00 C ATOM 0 H ALA A 55 2.007 -11.127 15.488 1.00 0.00 H new ATOM 0 HA ALA A 55 1.009 -13.423 14.148 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.371 -14.535 16.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.827 -13.700 15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.823 -12.950 17.065 1.00 0.00 H new ATOM 903 N ILE A 56 -1.219 -11.759 15.255 1.00 0.00 N ATOM 904 CA ILE A 56 -2.647 -11.790 15.399 1.00 0.00 C ATOM 905 C ILE A 56 -3.169 -12.481 14.181 1.00 0.00 C ATOM 906 O ILE A 56 -4.221 -13.120 14.235 1.00 0.00 O ATOM 907 CB ILE A 56 -3.298 -10.420 15.568 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.781 -9.700 16.831 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.834 -10.533 15.651 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.739 -10.586 18.078 1.00 0.00 C ATOM 0 H ILE A 56 -0.850 -10.879 14.894 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.898 -12.314 16.321 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.027 -9.837 14.688 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.779 -9.318 16.635 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.417 -8.838 17.031 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.266 -9.539 15.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.215 -10.986 14.736 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.108 -11.153 16.505 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.365 -10.008 18.923 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.743 -10.947 18.302 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.079 -11.435 17.899 1.00 0.00 H new ATOM 922 N CYS A 57 -2.435 -12.372 13.053 1.00 0.00 N ATOM 923 CA CYS A 57 -2.938 -12.902 11.822 1.00 0.00 C ATOM 924 C CYS A 57 -2.777 -14.388 11.747 1.00 0.00 C ATOM 925 O CYS A 57 -3.697 -15.079 11.312 1.00 0.00 O ATOM 926 CB CYS A 57 -2.360 -12.248 10.566 1.00 0.00 C ATOM 927 SG CYS A 57 -3.349 -12.727 9.128 1.00 0.00 S ATOM 0 H CYS A 57 -1.518 -11.929 12.994 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.999 -12.655 11.836 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.359 -11.163 10.675 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.324 -12.555 10.427 1.00 0.00 H new ATOM 932 N GLU A 58 -1.619 -14.919 12.195 1.00 0.00 N ATOM 933 CA GLU A 58 -1.485 -16.343 12.340 1.00 0.00 C ATOM 934 C GLU A 58 -2.163 -16.730 13.618 1.00 0.00 C ATOM 935 O GLU A 58 -2.220 -15.947 14.567 1.00 0.00 O ATOM 936 CB GLU A 58 -0.033 -16.868 12.354 1.00 0.00 C ATOM 937 CG GLU A 58 0.913 -16.114 13.293 1.00 0.00 C ATOM 938 CD GLU A 58 2.245 -16.850 13.325 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.880 -16.978 12.244 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.646 -17.291 14.435 1.00 0.00 O ATOM 0 H GLU A 58 -0.793 -14.378 12.452 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.941 -16.796 11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.044 -17.920 12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.367 -16.818 11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.054 -15.090 12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.487 -16.057 14.295 1.00 0.00 H new ATOM 947 N ASN A 59 -2.700 -17.967 13.646 1.00 0.00 N ATOM 948 CA ASN A 59 -3.384 -18.491 14.792 1.00 0.00 C ATOM 949 C ASN A 59 -2.343 -18.931 15.774 1.00 0.00 C ATOM 950 O ASN A 59 -1.706 -19.969 15.602 1.00 0.00 O ATOM 951 CB ASN A 59 -4.284 -19.690 14.429 1.00 0.00 C ATOM 952 CG ASN A 59 -5.063 -20.165 15.659 1.00 0.00 C ATOM 953 OD1 ASN A 59 -4.772 -21.220 16.234 1.00 0.00 O ATOM 954 ND2 ASN A 59 -6.098 -19.360 16.045 1.00 0.00 N ATOM 0 H ASN A 59 -2.658 -18.614 12.859 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.030 -17.717 15.207 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.978 -19.405 13.639 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.675 -20.505 14.039 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.675 -19.620 16.845 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.293 -18.500 15.533 1.00 0.00 H new ATOM 961 N LYS A 60 -2.151 -18.123 16.835 1.00 0.00 N ATOM 962 CA LYS A 60 -1.158 -18.405 17.824 1.00 0.00 C ATOM 963 C LYS A 60 -1.579 -17.618 19.013 1.00 0.00 C ATOM 964 O LYS A 60 -1.794 -18.159 20.097 1.00 0.00 O ATOM 965 CB LYS A 60 0.274 -17.995 17.393 1.00 0.00 C ATOM 966 CG LYS A 60 1.382 -18.242 18.435 1.00 0.00 C ATOM 967 CD LYS A 60 1.559 -19.716 18.830 1.00 0.00 C ATOM 968 CE LYS A 60 2.693 -19.920 19.839 1.00 0.00 C ATOM 969 NZ LYS A 60 2.806 -21.350 20.197 1.00 0.00 N ATOM 0 H LYS A 60 -2.686 -17.272 17.007 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.099 -19.478 18.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.529 -18.538 16.483 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.268 -16.935 17.141 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.326 -17.868 18.040 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.159 -17.662 19.330 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.627 -20.089 19.255 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.761 -20.307 17.936 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.634 -19.568 19.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.504 -19.327 20.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.578 -21.476 20.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.912 -21.674 20.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.007 -21.907 19.342 1.00 0.00 H new ATOM 983 N ASN A 61 -1.695 -16.298 18.801 1.00 0.00 N ATOM 984 CA ASN A 61 -2.085 -15.374 19.824 1.00 0.00 C ATOM 985 C ASN A 61 -3.060 -14.440 19.191 1.00 0.00 C ATOM 986 O ASN A 61 -3.306 -13.340 19.685 1.00 0.00 O ATOM 987 CB ASN A 61 -0.911 -14.625 20.496 1.00 0.00 C ATOM 988 CG ASN A 61 0.100 -14.073 19.490 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.927 -14.809 18.941 1.00 0.00 O ATOM 990 ND2 ASN A 61 0.049 -12.720 19.303 1.00 0.00 N ATOM 0 H ASN A 61 -1.514 -15.859 17.898 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.530 -15.923 20.654 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.306 -13.804 21.094 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.401 -15.301 21.182 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.718 -12.265 18.682 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.658 -12.165 19.785 1.00 0.00 H new ATOM 997 N GLY A 62 -3.681 -14.906 18.091 1.00 0.00 N ATOM 998 CA GLY A 62 -4.831 -14.255 17.548 1.00 0.00 C ATOM 999 C GLY A 62 -5.680 -15.348 17.004 1.00 0.00 C ATOM 1000 O GLY A 62 -5.342 -16.522 17.142 1.00 0.00 O ATOM 0 H GLY A 62 -3.384 -15.736 17.578 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.361 -13.689 18.314 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.551 -13.548 16.767 1.00 0.00 H new ATOM 1004 N ASN A 63 -6.830 -14.970 16.408 1.00 0.00 N ATOM 1005 CA ASN A 63 -7.846 -15.896 15.998 1.00 0.00 C ATOM 1006 C ASN A 63 -8.297 -15.441 14.643 1.00 0.00 C ATOM 1007 O ASN A 63 -8.070 -14.278 14.313 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.095 -15.836 16.904 1.00 0.00 C ATOM 1009 CG ASN A 63 -8.715 -16.150 18.351 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -8.290 -17.265 18.676 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -8.879 -15.116 19.230 1.00 0.00 N ATOM 0 H ASN A 63 -7.059 -13.997 16.206 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.436 -16.905 16.030 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.548 -14.846 16.846 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.842 -16.549 16.554 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.646 -15.242 20.215 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.234 -14.218 18.901 1.00 0.00 H new ATOM 1018 N PRO A 64 -8.948 -16.272 13.839 1.00 0.00 N ATOM 1019 CA PRO A 64 -9.714 -15.824 12.708 1.00 0.00 C ATOM 1020 C PRO A 64 -10.981 -15.218 13.238 1.00 0.00 C ATOM 1021 O PRO A 64 -11.505 -15.672 14.256 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.012 -17.096 11.908 1.00 0.00 C ATOM 1023 CG PRO A 64 -9.909 -18.236 12.926 1.00 0.00 C ATOM 1024 CD PRO A 64 -8.876 -17.720 13.930 1.00 0.00 C ATOM 0 HA PRO A 64 -9.207 -15.084 12.089 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.004 -17.056 11.458 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.298 -17.227 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.868 -18.437 13.403 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.585 -19.165 12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.102 -18.063 14.940 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.876 -18.081 13.687 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.491 -14.191 12.531 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.687 -13.508 12.922 1.00 0.00 C ATOM 1034 C HIS A 65 -13.442 -13.260 11.660 1.00 0.00 C ATOM 1035 O HIS A 65 -13.124 -12.334 10.917 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.371 -12.166 13.611 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.553 -11.396 14.108 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.343 -11.833 15.135 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.992 -10.164 13.759 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.237 -10.890 15.401 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.045 -9.866 14.580 1.00 0.00 N ATOM 0 H HIS A 65 -11.067 -13.830 11.676 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.255 -14.103 13.637 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.707 -12.359 14.453 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.822 -11.539 12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.587 -9.535 12.980 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.999 -10.947 16.164 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.589 -9.004 14.564 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.474 -14.099 11.411 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.314 -14.079 10.235 1.00 0.00 C ATOM 1052 C ARG A 66 -14.531 -14.429 9.005 1.00 0.00 C ATOM 1053 O ARG A 66 -14.269 -15.602 8.747 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.159 -12.803 9.977 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.281 -12.567 11.003 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.838 -11.805 12.256 1.00 0.00 C ATOM 1057 NE ARG A 66 -17.989 -11.728 13.204 1.00 0.00 N ATOM 1058 CZ ARG A 66 -18.181 -12.661 14.185 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.340 -13.729 14.313 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.231 -12.523 15.047 1.00 0.00 N ATOM 0 H ARG A 66 -14.739 -14.834 12.066 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.057 -14.843 10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.497 -11.937 9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.600 -12.869 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.087 -12.014 10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.691 -13.531 11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.995 -12.310 12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.501 -10.803 11.989 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.651 -10.957 13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.555 -13.840 13.671 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.497 -14.416 15.050 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.864 -11.729 14.956 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.382 -13.214 15.782 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.171 -13.406 8.203 1.00 0.00 N ATOM 1075 CA GLU A 67 -13.529 -13.596 6.943 1.00 0.00 C ATOM 1076 C GLU A 67 -12.580 -12.456 6.778 1.00 0.00 C ATOM 1077 O GLU A 67 -12.945 -11.327 6.456 1.00 0.00 O ATOM 1078 CB GLU A 67 -14.485 -13.710 5.734 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.629 -12.688 5.706 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.502 -12.994 4.498 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.985 -12.901 3.353 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.700 -13.324 4.704 1.00 0.00 O ATOM 0 H GLU A 67 -14.331 -12.427 8.439 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.022 -14.561 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.902 -13.604 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.914 -14.712 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.214 -12.746 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.233 -11.674 5.643 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.303 -12.796 7.024 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.087 -12.029 6.848 1.00 0.00 C ATOM 1091 C ASN A 68 -9.974 -10.820 7.737 1.00 0.00 C ATOM 1092 O ASN A 68 -9.193 -9.910 7.460 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.631 -11.748 5.381 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.539 -10.817 4.560 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.446 -11.281 3.858 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.245 -9.483 4.616 1.00 0.00 N ATOM 0 H ASN A 68 -11.090 -13.723 7.392 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.344 -12.742 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.631 -11.316 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.552 -12.701 4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.785 -8.818 4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.486 -9.153 5.212 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.712 -10.821 8.866 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.443 -9.926 9.948 1.00 0.00 C ATOM 1105 C LEU A 69 -9.882 -10.864 10.945 1.00 0.00 C ATOM 1106 O LEU A 69 -10.101 -12.069 10.839 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.680 -9.237 10.551 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.446 -8.324 9.571 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.721 -7.781 10.240 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.573 -7.177 9.030 1.00 0.00 C ATOM 0 H LEU A 69 -11.500 -11.448 9.027 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.815 -9.093 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.361 -10.002 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.367 -8.644 11.411 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.727 -8.930 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.254 -7.138 9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.363 -8.613 10.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.451 -7.207 11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.160 -6.565 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.225 -6.562 9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.715 -7.591 8.501 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.110 -10.350 11.917 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.386 -11.201 12.813 1.00 0.00 C ATOM 1124 C ARG A 70 -8.457 -10.545 14.144 1.00 0.00 C ATOM 1125 O ARG A 70 -7.863 -9.487 14.344 1.00 0.00 O ATOM 1126 CB ARG A 70 -6.893 -11.326 12.452 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.609 -11.963 11.086 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.929 -13.455 11.022 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.630 -13.915 9.640 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.569 -15.246 9.343 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.775 -16.180 10.315 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.289 -15.641 8.066 1.00 0.00 N ATOM 0 H ARG A 70 -8.986 -9.351 12.084 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.821 -12.200 12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.445 -10.333 12.473 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.396 -11.916 13.222 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.191 -11.443 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.558 -11.816 10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.332 -14.007 11.748 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.976 -13.634 11.268 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.468 -13.227 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.976 -15.886 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.728 -17.173 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.127 -14.943 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.242 -16.634 7.838 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.191 -11.170 15.085 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.370 -10.612 16.393 1.00 0.00 C ATOM 1148 C ILE A 71 -8.312 -11.224 17.253 1.00 0.00 C ATOM 1149 O ILE A 71 -8.007 -12.405 17.120 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.774 -10.848 16.943 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.057 -9.996 18.197 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.062 -12.344 17.197 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.556 -9.879 18.491 1.00 0.00 C ATOM 0 H ILE A 71 -9.661 -12.063 14.940 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.271 -9.527 16.367 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.465 -10.519 16.167 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.553 -10.439 19.056 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.637 -9.000 18.060 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.073 -12.459 17.588 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.970 -12.896 16.262 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.347 -12.734 17.921 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.705 -9.270 19.383 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.057 -9.411 17.644 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.973 -10.872 18.656 1.00 0.00 H new ATOM 1165 N SER A 72 -7.712 -10.417 18.151 1.00 0.00 N ATOM 1166 CA SER A 72 -6.654 -10.901 18.993 1.00 0.00 C ATOM 1167 C SER A 72 -7.216 -11.502 20.238 1.00 0.00 C ATOM 1168 O SER A 72 -8.392 -11.331 20.558 1.00 0.00 O ATOM 1169 CB SER A 72 -5.665 -9.809 19.418 1.00 0.00 C ATOM 1170 OG SER A 72 -6.252 -8.887 20.312 1.00 0.00 O ATOM 0 H SER A 72 -7.956 -9.437 18.295 1.00 0.00 H new ATOM 0 HA SER A 72 -6.120 -11.638 18.394 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.796 -10.269 19.889 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.306 -9.280 18.535 1.00 0.00 H new ATOM 0 HG SER A 72 -5.557 -8.305 20.685 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.347 -12.220 20.977 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.690 -12.768 22.255 1.00 0.00 C ATOM 1178 C LYS A 73 -5.599 -12.384 23.203 1.00 0.00 C ATOM 1179 O LYS A 73 -5.670 -12.698 24.390 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.874 -14.302 22.259 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.781 -15.070 21.499 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.955 -16.598 21.478 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.246 -17.336 22.622 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.846 -17.019 23.938 1.00 0.00 N ATOM 0 H LYS A 73 -5.392 -12.423 20.682 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.660 -12.365 22.547 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.897 -14.651 23.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.843 -14.542 21.820 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.752 -14.709 20.471 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.815 -14.836 21.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.019 -16.830 21.517 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.580 -16.981 20.529 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.298 -18.411 22.448 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.190 -17.065 22.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.535 -17.721 24.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.542 -16.071 24.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.883 -17.042 23.861 1.00 0.00 H new ATOM 1198 N SER A 74 -4.565 -11.676 22.695 1.00 0.00 N ATOM 1199 CA SER A 74 -3.532 -11.121 23.499 1.00 0.00 C ATOM 1200 C SER A 74 -3.725 -9.657 23.358 1.00 0.00 C ATOM 1201 O SER A 74 -3.125 -9.034 22.488 1.00 0.00 O ATOM 1202 CB SER A 74 -2.137 -11.481 22.985 1.00 0.00 C ATOM 1203 OG SER A 74 -1.805 -12.801 23.388 1.00 0.00 O ATOM 0 H SER A 74 -4.453 -11.490 21.698 1.00 0.00 H new ATOM 0 HA SER A 74 -3.589 -11.492 24.522 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.108 -11.404 21.898 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.402 -10.776 23.374 1.00 0.00 H new ATOM 0 HG SER A 74 -0.859 -12.973 23.197 1.00 0.00 H new ATOM 1209 N SER A 75 -4.605 -9.119 24.228 1.00 0.00 N ATOM 1210 CA SER A 75 -5.016 -7.738 24.307 1.00 0.00 C ATOM 1211 C SER A 75 -3.867 -6.788 24.418 1.00 0.00 C ATOM 1212 O SER A 75 -2.899 -7.035 25.138 1.00 0.00 O ATOM 1213 CB SER A 75 -5.913 -7.472 25.524 1.00 0.00 C ATOM 1214 OG SER A 75 -7.074 -8.287 25.464 1.00 0.00 O ATOM 0 H SER A 75 -5.067 -9.693 24.933 1.00 0.00 H new ATOM 0 HA SER A 75 -5.554 -7.568 23.375 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.363 -7.677 26.442 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.199 -6.420 25.552 1.00 0.00 H new ATOM 0 HG SER A 75 -7.638 -8.111 26.246 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.970 -5.668 23.671 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.894 -4.731 23.528 1.00 0.00 C ATOM 1222 C PHE A 76 -3.309 -3.501 24.239 1.00 0.00 C ATOM 1223 O PHE A 76 -4.497 -3.234 24.404 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.603 -4.314 22.068 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.130 -5.478 21.260 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.059 -6.356 20.748 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.785 -5.685 20.973 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.665 -7.455 20.035 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.379 -6.792 20.243 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.329 -7.696 19.810 1.00 0.00 C ATOM 0 H PHE A 76 -4.814 -5.410 23.159 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.995 -5.208 23.917 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.505 -3.898 21.619 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.848 -3.528 22.055 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.111 -6.175 20.911 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.049 -4.976 21.322 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.407 -8.137 19.647 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.666 -6.945 20.016 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.023 -8.594 19.294 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.299 -2.719 24.662 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.475 -1.443 25.277 1.00 0.00 C ATOM 1242 C GLN A 77 -2.828 -0.534 24.160 1.00 0.00 C ATOM 1243 O GLN A 77 -2.324 -0.682 23.055 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.172 -1.037 26.013 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.254 -0.614 27.493 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.313 0.463 27.730 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -2.269 1.565 27.173 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.286 0.113 28.625 1.00 0.00 N ATOM 0 H GLN A 77 -1.320 -2.989 24.571 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.254 -1.423 26.039 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.481 -1.878 25.948 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.724 -0.212 25.459 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.482 -1.486 28.106 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.282 -0.242 27.817 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.274 -0.812 29.056 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.024 0.776 28.862 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.754 0.405 24.415 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.334 1.169 23.351 1.00 0.00 C ATOM 1259 C VAL A 78 -4.548 2.541 23.926 1.00 0.00 C ATOM 1260 O VAL A 78 -4.839 2.684 25.110 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.622 0.494 22.893 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.840 1.430 22.754 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.272 -0.224 21.576 1.00 0.00 C ATOM 0 H VAL A 78 -4.100 0.636 25.346 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.707 1.237 22.462 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.959 -0.202 23.662 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.705 0.855 22.424 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.057 1.890 23.718 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.620 2.207 22.022 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.157 -0.731 21.192 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.926 0.506 20.844 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.485 -0.956 21.759 1.00 0.00 H new ATOM 1273 N THR A 79 -4.401 3.591 23.090 1.00 0.00 N ATOM 1274 CA THR A 79 -4.826 4.918 23.439 1.00 0.00 C ATOM 1275 C THR A 79 -5.614 5.361 22.257 1.00 0.00 C ATOM 1276 O THR A 79 -5.045 5.647 21.206 1.00 0.00 O ATOM 1277 CB THR A 79 -3.710 5.898 23.730 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.024 5.497 24.906 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.264 7.315 23.968 1.00 0.00 C ATOM 0 H THR A 79 -3.983 3.519 22.162 1.00 0.00 H new ATOM 0 HA THR A 79 -5.384 4.894 24.375 1.00 0.00 H new ATOM 0 HB THR A 79 -3.042 5.909 22.869 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.379 4.793 24.685 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.440 7.998 24.175 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.799 7.650 23.080 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.946 7.301 24.818 1.00 0.00 H new ATOM 1287 N THR A 80 -6.953 5.420 22.417 1.00 0.00 N ATOM 1288 CA THR A 80 -7.828 5.818 21.353 1.00 0.00 C ATOM 1289 C THR A 80 -7.898 7.307 21.377 1.00 0.00 C ATOM 1290 O THR A 80 -8.624 7.893 22.178 1.00 0.00 O ATOM 1291 CB THR A 80 -9.216 5.238 21.476 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.120 3.833 21.656 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.033 5.524 20.204 1.00 0.00 C ATOM 0 H THR A 80 -7.431 5.191 23.289 1.00 0.00 H new ATOM 0 HA THR A 80 -7.429 5.440 20.412 1.00 0.00 H new ATOM 0 HB THR A 80 -9.715 5.696 22.330 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.019 3.452 21.738 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.031 5.099 20.309 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.111 6.601 20.056 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.536 5.075 19.344 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.133 7.948 20.474 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.128 9.370 20.356 1.00 0.00 C ATOM 1303 C CYS A 81 -8.271 9.727 19.487 1.00 0.00 C ATOM 1304 O CYS A 81 -8.279 9.395 18.306 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.897 9.909 19.632 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.412 9.881 20.650 1.00 0.00 S ATOM 0 H CYS A 81 -6.512 7.472 19.819 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.159 9.784 21.364 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.725 9.319 18.732 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.091 10.932 19.310 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.260 10.418 20.071 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.449 10.765 19.356 1.00 0.00 C ATOM 1313 C LYS A 82 -10.480 12.255 19.426 1.00 0.00 C ATOM 1314 O LYS A 82 -10.310 12.822 20.504 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.698 10.134 20.011 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.957 10.071 19.130 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.828 11.333 19.132 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.198 11.088 18.500 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.017 12.319 18.548 1.00 0.00 N ATOM 0 H LYS A 82 -9.239 10.738 21.039 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.451 10.398 18.330 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.447 9.121 20.326 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.936 10.698 20.913 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.652 9.863 18.105 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.567 9.229 19.458 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.959 11.681 20.157 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.316 12.127 18.589 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.076 10.765 17.466 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.710 10.283 19.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.945 12.136 18.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.148 12.610 19.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.534 13.078 18.025 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.666 12.907 18.256 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.623 14.336 18.096 1.00 0.00 C ATOM 1335 C LEU A 83 -11.804 14.943 18.776 1.00 0.00 C ATOM 1336 O LEU A 83 -12.953 14.696 18.411 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.690 14.706 16.596 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.436 16.180 16.209 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.948 16.545 16.312 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.944 16.440 14.778 1.00 0.00 C ATOM 0 H LEU A 83 -10.855 12.416 17.382 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.695 14.709 18.529 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.964 14.090 16.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.676 14.427 16.225 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.982 16.809 16.912 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.809 17.589 16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.607 16.396 17.336 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.370 15.910 15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.762 17.481 14.511 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.417 15.789 14.081 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.013 16.234 14.728 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.512 15.759 19.803 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.517 16.345 20.628 1.00 0.00 C ATOM 1354 C HIS A 84 -12.118 17.768 20.802 1.00 0.00 C ATOM 1355 O HIS A 84 -11.266 18.098 21.626 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.576 15.659 22.000 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.454 16.351 22.995 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -14.803 16.502 22.829 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -13.128 16.916 24.180 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -15.281 17.148 23.884 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -14.285 17.410 24.720 1.00 0.00 N ATOM 0 H HIS A 84 -10.560 16.016 20.064 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.502 16.241 20.172 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.931 14.637 21.868 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.566 15.595 22.406 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.142 16.968 24.617 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -16.315 17.418 24.038 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.367 17.896 25.613 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.741 18.650 20.005 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.419 20.040 20.060 1.00 0.00 C ATOM 1372 C GLY A 85 -13.138 20.655 18.923 1.00 0.00 C ATOM 1373 O GLY A 85 -13.719 21.732 19.043 1.00 0.00 O ATOM 0 H GLY A 85 -13.462 18.404 19.327 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.733 20.479 21.007 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.344 20.198 19.977 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.094 19.945 17.782 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.687 20.403 16.562 1.00 0.00 C ATOM 1379 C GLY A 86 -12.715 21.318 15.906 1.00 0.00 C ATOM 1380 O GLY A 86 -13.089 22.379 15.407 1.00 0.00 O ATOM 0 H GLY A 86 -12.638 19.036 17.704 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.921 19.561 15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.625 20.921 16.763 1.00 0.00 H new ATOM 1384 N SER A 87 -11.436 20.902 15.906 1.00 0.00 N ATOM 1385 CA SER A 87 -10.370 21.612 15.255 1.00 0.00 C ATOM 1386 C SER A 87 -9.914 20.746 14.111 1.00 0.00 C ATOM 1387 O SER A 87 -9.292 19.722 14.390 1.00 0.00 O ATOM 1388 CB SER A 87 -9.175 21.840 16.195 1.00 0.00 C ATOM 1389 OG SER A 87 -8.153 22.553 15.517 1.00 0.00 O ATOM 0 H SER A 87 -11.131 20.047 16.371 1.00 0.00 H new ATOM 0 HA SER A 87 -10.729 22.589 14.932 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.496 22.397 17.075 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.790 20.883 16.546 1.00 0.00 H new ATOM 0 HG SER A 87 -7.641 21.935 14.954 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.159 21.063 12.837 1.00 0.00 N ATOM 1396 CA PRO A 88 -9.773 20.182 11.765 1.00 0.00 C ATOM 1397 C PRO A 88 -8.353 20.467 11.385 1.00 0.00 C ATOM 1398 O PRO A 88 -7.772 19.642 10.686 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.658 20.565 10.575 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.825 21.339 11.185 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.194 21.991 12.412 1.00 0.00 C ATOM 0 HA PRO A 88 -9.875 19.135 12.050 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.111 21.176 9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.006 19.681 10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.224 22.081 10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.650 20.680 11.456 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.774 22.967 12.169 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.931 22.148 13.199 1.00 0.00 H new ATOM 1409 N TRP A 89 -7.806 21.638 11.772 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.557 22.110 11.257 1.00 0.00 C ATOM 1411 C TRP A 89 -5.555 22.073 12.370 1.00 0.00 C ATOM 1412 O TRP A 89 -5.987 22.023 13.519 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.718 23.545 10.725 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.758 23.582 9.632 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.020 24.101 9.661 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.621 22.906 8.371 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.671 23.808 8.487 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.826 23.064 7.690 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.586 22.194 7.833 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.013 22.509 6.455 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.781 21.616 6.597 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.975 21.772 5.918 1.00 0.00 C ATOM 0 H TRP A 89 -8.238 22.264 12.452 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.221 21.481 10.433 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.009 24.211 11.537 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.764 23.908 10.342 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.443 24.658 10.483 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.620 24.093 8.245 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.648 22.088 8.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.940 22.642 5.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.989 21.032 6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.099 21.309 4.950 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.250 22.085 12.106 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.248 21.918 13.128 1.00 0.00 C ATOM 1435 C PRO A 90 -3.161 23.201 13.927 1.00 0.00 C ATOM 1436 O PRO A 90 -3.311 24.253 13.307 1.00 0.00 O ATOM 1437 CB PRO A 90 -1.930 21.700 12.371 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.218 22.117 10.927 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.705 21.825 10.787 1.00 0.00 C ATOM 0 HA PRO A 90 -3.469 21.093 13.805 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.127 22.299 12.800 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.614 20.658 12.424 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.994 23.170 10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.624 21.546 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.166 22.464 10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.880 20.794 10.481 1.00 0.00 H new ATOM 1447 N PRO A 91 -2.896 23.210 15.228 1.00 0.00 N ATOM 1448 CA PRO A 91 -2.755 22.053 16.068 1.00 0.00 C ATOM 1449 C PRO A 91 -4.119 21.585 16.448 1.00 0.00 C ATOM 1450 O PRO A 91 -5.099 22.316 16.309 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.054 22.530 17.331 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.421 23.862 16.941 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.352 24.397 15.852 1.00 0.00 C ATOM 0 HA PRO A 91 -2.206 21.253 15.571 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.759 22.652 18.153 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.301 21.815 17.660 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.364 24.543 17.790 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.405 23.730 16.570 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.140 25.021 16.274 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.810 25.011 15.133 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.162 20.344 16.947 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.387 19.641 17.176 1.00 0.00 C ATOM 1463 C CYS A 92 -5.628 19.580 18.643 1.00 0.00 C ATOM 1464 O CYS A 92 -4.690 19.643 19.436 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.303 18.181 16.719 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.632 18.018 15.045 1.00 0.00 S ATOM 0 H CYS A 92 -3.329 19.812 17.199 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.168 20.165 16.626 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.677 17.621 17.414 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.297 17.735 16.754 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.912 19.420 19.021 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.287 19.151 20.378 1.00 0.00 C ATOM 1473 C GLN A 93 -7.782 17.745 20.388 1.00 0.00 C ATOM 1474 O GLN A 93 -8.760 17.428 19.714 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.434 20.042 20.880 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.070 21.528 20.942 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.303 22.283 21.432 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.078 22.823 20.633 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.475 22.310 22.789 1.00 0.00 N ATOM 0 H GLN A 93 -7.700 19.478 18.376 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.428 19.336 21.023 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.296 19.914 20.225 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.735 19.708 21.873 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.229 21.689 21.616 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.765 21.889 19.960 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.801 21.846 23.398 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.277 22.794 23.192 1.00 0.00 H new ATOM 1488 N TYR A 94 -7.102 16.872 21.158 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.471 15.487 21.251 1.00 0.00 C ATOM 1490 C TYR A 94 -7.870 15.194 22.653 1.00 0.00 C ATOM 1491 O TYR A 94 -7.325 15.768 23.593 1.00 0.00 O ATOM 1492 CB TYR A 94 -6.300 14.534 20.977 1.00 0.00 C ATOM 1493 CG TYR A 94 -6.062 14.465 19.513 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -7.012 13.849 18.729 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.923 14.974 18.916 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.908 13.849 17.358 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.834 15.006 17.542 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.836 14.474 16.762 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.735 14.540 15.361 1.00 0.00 O ATOM 0 H TYR A 94 -6.290 17.127 21.721 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.261 15.333 20.516 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.403 14.884 21.488 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.523 13.542 21.369 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.852 13.358 19.198 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.110 15.344 19.523 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.660 13.363 16.754 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.970 15.453 17.072 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.490 14.064 14.956 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.818 14.246 22.799 1.00 0.00 N ATOM 1510 CA ARG A 95 -9.119 13.642 24.069 1.00 0.00 C ATOM 1511 C ARG A 95 -8.659 12.222 23.948 1.00 0.00 C ATOM 1512 O ARG A 95 -9.133 11.477 23.091 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.621 13.725 24.427 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.983 13.496 25.907 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.181 12.033 26.324 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.643 11.995 27.744 1.00 0.00 N ATOM 1517 CZ ARG A 95 -10.770 12.022 28.796 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -9.423 12.114 28.592 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -11.253 11.959 30.073 1.00 0.00 N ATOM 0 H ARG A 95 -9.384 13.893 22.027 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.615 14.168 24.880 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.989 14.708 24.133 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.157 12.991 23.826 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.196 13.928 26.526 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.899 14.045 26.127 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.913 11.552 25.676 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.248 11.480 26.216 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.644 11.947 27.935 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.053 12.164 27.643 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.787 12.133 29.389 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.258 11.892 30.236 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.609 11.979 30.863 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.709 11.828 24.822 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.153 10.505 24.824 1.00 0.00 C ATOM 1535 C ALA A 96 -7.988 9.623 25.690 1.00 0.00 C ATOM 1536 O ALA A 96 -8.075 9.832 26.900 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.746 10.470 25.429 1.00 0.00 C ATOM 0 H ALA A 96 -7.320 12.439 25.540 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.122 10.177 23.785 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.367 9.448 25.409 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.085 11.114 24.850 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.784 10.823 26.460 1.00 0.00 H new ATOM 1543 N THR A 97 -8.619 8.604 25.072 1.00 0.00 N ATOM 1544 CA THR A 97 -9.472 7.677 25.759 1.00 0.00 C ATOM 1545 C THR A 97 -8.744 6.373 25.753 1.00 0.00 C ATOM 1546 O THR A 97 -8.913 5.559 24.845 1.00 0.00 O ATOM 1547 CB THR A 97 -10.810 7.546 25.076 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.335 8.846 24.857 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.791 6.742 25.951 1.00 0.00 C ATOM 0 H THR A 97 -8.535 8.420 24.072 1.00 0.00 H new ATOM 0 HA THR A 97 -9.683 8.017 26.773 1.00 0.00 H new ATOM 0 HB THR A 97 -10.680 7.021 24.130 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.205 8.777 24.411 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.750 6.659 25.440 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.387 5.745 26.129 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.931 7.252 26.904 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.892 6.156 26.774 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.016 5.023 26.781 1.00 0.00 C ATOM 1559 C ALA A 98 -7.672 3.851 27.431 1.00 0.00 C ATOM 1560 O ALA A 98 -8.414 3.992 28.402 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.694 5.298 27.505 1.00 0.00 C ATOM 0 H ALA A 98 -7.810 6.762 27.591 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.798 4.809 25.735 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.071 4.404 27.478 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.173 6.118 27.011 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.896 5.568 28.541 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.386 2.650 26.886 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.911 1.428 27.415 1.00 0.00 C ATOM 1569 C GLY A 99 -6.905 0.361 27.142 1.00 0.00 C ATOM 1570 O GLY A 99 -5.746 0.642 26.849 1.00 0.00 O ATOM 0 H GLY A 99 -6.785 2.528 26.071 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.094 1.519 28.486 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.866 1.185 26.948 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.343 -0.906 27.251 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.496 -2.042 27.039 1.00 0.00 C ATOM 1576 C PHE A 100 -7.441 -3.037 26.448 1.00 0.00 C ATOM 1577 O PHE A 100 -8.255 -3.622 27.161 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.892 -2.552 28.367 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.917 -3.671 28.186 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.611 -3.437 27.788 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.286 -4.957 28.534 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.699 -4.473 27.729 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.376 -5.993 28.480 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.079 -5.751 28.076 1.00 0.00 C ATOM 0 H PHE A 100 -8.304 -1.148 27.491 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.634 -1.832 26.406 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.394 -1.724 28.872 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.699 -2.885 29.020 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.303 -2.437 27.522 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.299 -5.153 28.852 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.685 -4.281 27.410 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.679 -6.993 28.754 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.365 -6.560 28.032 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.388 -3.199 25.108 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.440 -3.865 24.392 1.00 0.00 C ATOM 1596 C ARG A 101 -7.814 -4.756 23.370 1.00 0.00 C ATOM 1597 O ARG A 101 -6.754 -4.454 22.822 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.386 -2.865 23.687 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.708 -3.475 23.191 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.640 -2.449 22.541 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.782 -3.180 21.913 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.939 -3.449 22.590 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -14.100 -3.057 23.887 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.944 -4.122 21.959 1.00 0.00 N ATOM 0 H ARG A 101 -6.620 -2.870 24.523 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.038 -4.434 25.103 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.612 -2.052 24.376 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.862 -2.427 22.838 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.489 -4.264 22.472 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.222 -3.943 24.031 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.006 -1.743 23.287 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.102 -1.870 21.791 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.695 -3.489 20.945 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.351 -2.556 24.365 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.969 -3.265 24.379 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.829 -4.420 20.990 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.811 -4.327 22.456 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.499 -5.888 23.104 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.156 -6.821 22.071 1.00 0.00 C ATOM 1620 C ASN A 102 -8.530 -6.226 20.750 1.00 0.00 C ATOM 1621 O ASN A 102 -9.641 -5.738 20.548 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.815 -8.208 22.263 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.343 -8.150 22.353 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.943 -7.500 23.217 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.983 -8.916 21.417 1.00 0.00 N ATOM 0 H ASN A 102 -9.327 -6.164 23.632 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.082 -7.000 22.116 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.532 -8.854 21.432 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.422 -8.666 23.171 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.002 -8.969 21.411 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.441 -9.434 20.725 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.545 -6.236 19.831 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.618 -5.490 18.613 1.00 0.00 C ATOM 1634 C VAL A 103 -8.134 -6.377 17.524 1.00 0.00 C ATOM 1635 O VAL A 103 -7.712 -7.525 17.402 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.282 -4.869 18.216 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.837 -3.911 19.340 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.195 -5.935 17.960 1.00 0.00 C ATOM 0 H VAL A 103 -6.684 -6.772 19.937 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.303 -4.657 18.773 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.415 -4.327 17.280 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.883 -3.457 19.074 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.586 -3.130 19.471 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.727 -4.468 20.270 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.263 -5.444 17.680 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.039 -6.521 18.866 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.514 -6.594 17.152 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.054 -5.847 16.690 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.389 -6.489 15.454 1.00 0.00 C ATOM 1650 C VAL A 104 -8.579 -5.743 14.449 1.00 0.00 C ATOM 1651 O VAL A 104 -8.859 -4.582 14.159 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.852 -6.402 15.058 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.085 -7.088 13.696 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.707 -7.099 16.126 1.00 0.00 C ATOM 0 H VAL A 104 -9.561 -4.981 16.871 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.191 -7.558 15.531 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.133 -5.352 14.977 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.139 -7.016 13.428 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.482 -6.596 12.933 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.799 -8.138 13.764 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.759 -7.039 15.846 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.411 -8.145 16.203 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.559 -6.608 17.088 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.557 -6.419 13.889 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.804 -5.867 12.791 1.00 0.00 C ATOM 1666 C VAL A 105 -7.398 -6.499 11.566 1.00 0.00 C ATOM 1667 O VAL A 105 -7.904 -7.615 11.639 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.305 -6.122 12.847 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.755 -5.469 14.125 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.933 -7.618 12.810 1.00 0.00 C ATOM 0 H VAL A 105 -7.249 -7.343 14.191 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.879 -4.780 12.811 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.858 -5.685 11.954 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.680 -5.639 14.187 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.952 -4.397 14.100 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.242 -5.907 14.996 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.849 -7.725 12.853 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.382 -8.126 13.664 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.305 -8.063 11.887 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.336 -5.812 10.406 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.666 -6.447 9.157 1.00 0.00 C ATOM 1682 C ALA A 106 -6.380 -7.011 8.666 1.00 0.00 C ATOM 1683 O ALA A 106 -5.363 -6.329 8.744 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.179 -5.493 8.075 1.00 0.00 C ATOM 0 H ALA A 106 -7.062 -4.832 10.330 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.464 -7.168 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.403 -6.057 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.084 -4.997 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.416 -4.745 7.858 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.401 -8.264 8.163 1.00 0.00 N ATOM 1691 CA CYS A 107 -5.198 -8.930 7.746 1.00 0.00 C ATOM 1692 C CYS A 107 -5.352 -9.415 6.346 1.00 0.00 C ATOM 1693 O CYS A 107 -6.394 -9.951 5.971 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.873 -10.163 8.604 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.398 -11.034 8.034 1.00 0.00 S ATOM 0 H CYS A 107 -7.251 -8.816 8.045 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.396 -8.199 7.847 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.731 -9.854 9.639 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.722 -10.846 8.589 1.00 0.00 H new ATOM 1700 N GLU A 108 -4.273 -9.249 5.552 1.00 0.00 N ATOM 1701 CA GLU A 108 -4.170 -9.832 4.251 1.00 0.00 C ATOM 1702 C GLU A 108 -2.819 -10.470 4.234 1.00 0.00 C ATOM 1703 O GLU A 108 -1.842 -9.845 4.634 1.00 0.00 O ATOM 1704 CB GLU A 108 -4.243 -8.772 3.134 1.00 0.00 C ATOM 1705 CG GLU A 108 -4.288 -9.348 1.714 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.420 -8.181 0.746 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -3.491 -7.331 0.712 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -5.453 -8.123 0.028 1.00 0.00 O ATOM 0 H GLU A 108 -3.458 -8.698 5.822 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.988 -10.529 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.129 -8.157 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.379 -8.113 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.384 -9.919 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.129 -10.032 1.605 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.740 -11.732 3.754 1.00 0.00 N ATOM 1716 CA ASN A 109 -1.534 -12.492 3.483 1.00 0.00 C ATOM 1717 C ASN A 109 -0.643 -12.811 4.661 1.00 0.00 C ATOM 1718 O ASN A 109 0.546 -13.068 4.480 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.674 -12.001 2.276 1.00 0.00 C ATOM 1720 CG ASN A 109 0.043 -10.645 2.433 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.065 -10.520 3.116 1.00 0.00 O ATOM 1722 ND2 ASN A 109 -0.507 -9.611 1.724 1.00 0.00 N ATOM 0 H ASN A 109 -3.581 -12.267 3.537 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.999 -13.434 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.079 -12.760 2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.321 -11.943 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.071 -8.689 1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.352 -9.763 1.174 1.00 0.00 H new ATOM 1729 N GLY A 110 -1.190 -12.833 5.896 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.405 -13.147 7.061 1.00 0.00 C ATOM 1731 C GLY A 110 0.246 -11.902 7.579 1.00 0.00 C ATOM 1732 O GLY A 110 1.227 -11.976 8.316 1.00 0.00 O ATOM 0 H GLY A 110 -2.172 -12.634 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.039 -13.586 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.353 -13.889 6.812 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.290 -10.729 7.179 1.00 0.00 N ATOM 1737 CA LEU A 111 0.359 -9.478 7.443 1.00 0.00 C ATOM 1738 C LEU A 111 -0.734 -8.460 7.713 1.00 0.00 C ATOM 1739 O LEU A 111 -1.510 -8.214 6.793 1.00 0.00 O ATOM 1740 CB LEU A 111 1.179 -9.117 6.195 1.00 0.00 C ATOM 1741 CG LEU A 111 2.127 -7.935 6.294 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.442 -8.437 6.911 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.356 -7.312 4.908 1.00 0.00 C ATOM 0 H LEU A 111 -1.172 -10.648 6.673 1.00 0.00 H new ATOM 0 HA LEU A 111 1.029 -9.513 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.763 -9.993 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.482 -8.921 5.380 1.00 0.00 H new ATOM 0 HG LEU A 111 1.703 -7.154 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.144 -7.608 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.246 -8.848 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.870 -9.212 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.038 -6.466 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.788 -8.058 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.404 -6.970 4.501 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.866 -7.858 8.898 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.019 -7.042 9.217 1.00 0.00 C ATOM 1757 C PRO A 112 -1.991 -5.737 8.470 1.00 0.00 C ATOM 1758 O PRO A 112 -1.154 -4.898 8.766 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.900 -6.796 10.716 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.247 -8.070 11.235 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.288 -8.434 10.104 1.00 0.00 C ATOM 0 HA PRO A 112 -2.953 -7.529 8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.292 -5.917 10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.875 -6.629 11.174 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.721 -7.903 12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.979 -8.857 11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.708 -8.033 10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.184 -9.515 10.011 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.910 -5.530 7.510 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.830 -4.409 6.618 1.00 0.00 C ATOM 1771 C VAL A 113 -3.542 -3.187 7.123 1.00 0.00 C ATOM 1772 O VAL A 113 -3.214 -2.083 6.692 1.00 0.00 O ATOM 1773 CB VAL A 113 -3.352 -4.711 5.231 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -2.229 -5.386 4.427 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.602 -5.607 5.313 1.00 0.00 C ATOM 0 H VAL A 113 -3.712 -6.140 7.349 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.761 -4.205 6.568 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.648 -3.790 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.586 -5.612 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.372 -4.715 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.931 -6.310 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.966 -5.816 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.346 -6.544 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.379 -5.096 5.882 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.550 -3.339 8.012 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.390 -2.216 8.356 1.00 0.00 C ATOM 1787 C HIS A 114 -5.897 -2.428 9.742 1.00 0.00 C ATOM 1788 O HIS A 114 -5.420 -3.308 10.457 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.645 -2.009 7.477 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.453 -2.184 6.003 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.744 -3.246 5.218 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -5.945 -1.207 5.192 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.407 -2.902 3.936 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.927 -1.667 3.948 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.782 -4.213 8.483 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.755 -1.341 8.219 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.414 -2.707 7.808 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.027 -1.004 7.656 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -7.140 -4.135 5.523 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.615 -0.229 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.514 -3.530 3.064 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.886 -1.598 10.143 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.408 -1.608 11.475 1.00 0.00 C ATOM 1805 C LEU A 115 -8.881 -1.394 11.395 1.00 0.00 C ATOM 1806 O LEU A 115 -9.365 -0.703 10.499 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.844 -0.434 12.296 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.780 -0.641 13.832 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.336 -2.008 14.387 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.056 0.501 14.555 1.00 0.00 C ATOM 0 H LEU A 115 -7.327 -0.912 9.531 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.141 -2.555 11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.838 -0.217 11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.451 0.448 12.094 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.844 -0.628 14.067 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.348 -1.980 15.477 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.019 -2.782 14.037 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.327 -2.231 14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.042 0.302 15.627 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.033 0.575 14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.578 1.439 14.367 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.618 -1.972 12.366 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.020 -1.713 12.530 1.00 0.00 C ATOM 1824 C ASP A 116 -11.116 -0.670 13.591 1.00 0.00 C ATOM 1825 O ASP A 116 -10.552 -0.826 14.673 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.834 -2.930 13.004 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.955 -3.936 11.864 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.905 -4.462 11.406 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.112 -4.197 11.439 1.00 0.00 O ATOM 0 H ASP A 116 -9.236 -2.628 13.047 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.430 -1.423 11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.348 -3.394 13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.825 -2.614 13.331 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.847 0.425 13.284 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.975 1.552 14.168 1.00 0.00 C ATOM 1836 C GLN A 117 -13.384 1.590 14.675 1.00 0.00 C ATOM 1837 O GLN A 117 -13.809 2.602 15.230 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.733 2.907 13.459 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.394 3.052 12.711 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.286 3.523 13.657 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.793 4.650 13.533 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -8.880 2.630 14.606 1.00 0.00 N ATOM 0 H GLN A 117 -12.358 0.529 12.407 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.230 1.427 14.954 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.543 3.071 12.748 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.797 3.700 14.204 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.116 2.096 12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.505 3.763 11.893 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.321 1.712 14.665 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.135 2.880 15.257 1.00 0.00 H new ATOM 1851 N SER A 118 -14.146 0.486 14.481 1.00 0.00 N ATOM 1852 CA SER A 118 -15.553 0.434 14.774 1.00 0.00 C ATOM 1853 C SER A 118 -15.727 0.081 16.210 1.00 0.00 C ATOM 1854 O SER A 118 -16.674 0.514 16.867 1.00 0.00 O ATOM 1855 CB SER A 118 -16.290 -0.634 13.953 1.00 0.00 C ATOM 1856 OG SER A 118 -16.130 -0.380 12.567 1.00 0.00 O ATOM 0 H SER A 118 -13.774 -0.389 14.112 1.00 0.00 H new ATOM 0 HA SER A 118 -15.969 1.411 14.528 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.902 -1.623 14.197 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.349 -0.635 14.211 1.00 0.00 H new ATOM 0 HG SER A 118 -16.602 -1.067 12.052 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.776 -0.730 16.708 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.691 -1.176 18.065 1.00 0.00 C ATOM 1864 C ILE A 119 -14.131 -0.135 18.951 1.00 0.00 C ATOM 1865 O ILE A 119 -14.334 -0.174 20.164 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.751 -2.341 18.240 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.675 -2.416 17.132 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.618 -3.584 18.374 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.738 -3.613 17.290 1.00 0.00 C ATOM 0 H ILE A 119 -14.021 -1.096 16.128 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.718 -1.441 18.318 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.148 -2.229 19.141 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.165 -2.471 16.160 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.087 -1.498 17.141 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.982 -4.459 18.503 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.272 -3.480 19.240 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.222 -3.705 17.475 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.006 -3.611 16.483 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.222 -3.547 18.248 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.317 -4.536 17.252 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.369 0.799 18.355 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.553 1.704 19.089 1.00 0.00 C ATOM 1883 C PHE A 120 -13.230 3.021 19.033 1.00 0.00 C ATOM 1884 O PHE A 120 -12.636 4.011 18.616 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.134 1.832 18.512 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.387 0.526 18.462 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.602 -0.561 19.306 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.391 0.420 17.511 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.800 -1.682 19.219 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.612 -0.706 17.407 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.812 -1.759 18.265 1.00 0.00 C ATOM 0 H PHE A 120 -13.321 0.925 17.344 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.435 1.336 20.108 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.195 2.245 17.505 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.568 2.543 19.114 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.400 -0.527 20.033 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.221 1.243 16.833 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.949 -2.503 19.904 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.843 -0.763 16.651 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.197 -2.643 18.191 1.00 0.00 H new