USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 20 HIS : no HE2:sc= -4.22! C(o=-4.4!,f=-7.5!) USER MOD Set 1.2: A 54 GLN :FLIP amide:sc= -0.132 F(o=-5.2,f=-4.4) USER MOD Set 2.1: A 16 SER OG : rot -10:sc= 0.839 USER MOD Set 2.2: A 66 ASN : amide:sc= 0 X(o=0.84,f=0.75) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -83:sc= -2.91! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.812 USER MOD Single : A 45 ASN : amide:sc= 0.0172 X(o=0.017,f=0) USER MOD Single : A 48 MET CE :methyl -177:sc= -1.63 (180deg=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.66! C(o=-3.7!,f=-1.7!) USER MOD Single : A 59 MET CE :methyl 167:sc= -0.781 (180deg=-1.4) USER MOD Single : A 60 ASN :FLIP amide:sc= -10.4! C(o=-15!,f=-10!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 165:sc=-0.00388 (180deg=-0.0239) USER MOD Single : A 70 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.33) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 108:sc= -5.38! USER MOD Single : A 73 THR OG1 : rot -16:sc= -0.769 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -123:sc= 0.325 USER MOD Single : A 82 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.0237 K(o=0.024,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -12.195 3.986 1.527 1.00 0.00 N ATOM 49 CA SER A 16 -10.758 4.058 1.293 1.00 0.00 C ATOM 50 C SER A 16 -9.981 3.711 2.559 1.00 0.00 C ATOM 51 O SER A 16 -9.747 4.567 3.411 1.00 0.00 O ATOM 52 CB SER A 16 -10.368 5.456 0.810 1.00 0.00 C ATOM 53 OG SER A 16 -10.189 6.341 1.902 1.00 0.00 O ATOM 0 HA SER A 16 -10.505 3.330 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.448 5.400 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.141 5.844 0.146 1.00 0.00 H new ATOM 0 HG SER A 16 -10.514 5.917 2.723 1.00 0.00 H new ATOM 59 N ARG A 17 -9.583 2.447 2.674 1.00 0.00 N ATOM 60 CA ARG A 17 -8.832 1.987 3.837 1.00 0.00 C ATOM 61 C ARG A 17 -7.686 1.072 3.416 1.00 0.00 C ATOM 62 O ARG A 17 -6.576 1.170 3.938 1.00 0.00 O ATOM 63 CB ARG A 17 -9.757 1.251 4.809 1.00 0.00 C ATOM 64 CG ARG A 17 -10.030 2.023 6.089 1.00 0.00 C ATOM 65 CD ARG A 17 -10.945 1.247 7.023 1.00 0.00 C ATOM 66 NE ARG A 17 -12.338 1.667 6.898 1.00 0.00 N ATOM 67 CZ ARG A 17 -13.301 1.275 7.726 1.00 0.00 C ATOM 68 NH1 ARG A 17 -13.023 0.457 8.731 1.00 0.00 N ATOM 69 NH2 ARG A 17 -14.545 1.701 7.547 1.00 0.00 N ATOM 0 H ARG A 17 -9.768 1.725 1.978 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.412 2.860 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.704 1.044 4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.313 0.288 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.088 2.236 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.486 2.983 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.867 0.182 6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.615 1.387 8.052 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.585 2.295 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.068 0.127 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.764 0.158 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.763 2.330 6.774 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.284 1.400 8.183 1.00 0.00 H new ATOM 83 N VAL A 18 -7.963 0.184 2.466 1.00 0.00 N ATOM 84 CA VAL A 18 -6.954 -0.747 1.973 1.00 0.00 C ATOM 85 C VAL A 18 -6.157 -0.133 0.828 1.00 0.00 C ATOM 86 O VAL A 18 -6.725 0.456 -0.091 1.00 0.00 O ATOM 87 CB VAL A 18 -7.591 -2.065 1.493 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.524 -3.127 1.281 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.640 -2.542 2.485 1.00 0.00 C ATOM 0 H VAL A 18 -8.877 0.090 2.023 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.285 -0.960 2.806 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.084 -1.883 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.993 -4.051 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.813 -2.784 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.000 -3.309 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.079 -3.474 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.174 -2.708 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.420 -1.787 2.581 1.00 0.00 H new ATOM 99 N ILE A 19 -4.837 -0.272 0.890 1.00 0.00 N ATOM 100 CA ILE A 19 -3.963 0.272 -0.141 1.00 0.00 C ATOM 101 C ILE A 19 -3.226 -0.834 -0.885 1.00 0.00 C ATOM 102 O ILE A 19 -2.250 -1.391 -0.383 1.00 0.00 O ATOM 103 CB ILE A 19 -2.928 1.243 0.458 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.605 2.216 1.426 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.205 1.997 -0.647 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.307 3.367 0.740 1.00 0.00 C ATOM 0 H ILE A 19 -4.350 -0.757 1.644 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.602 0.811 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.191 0.665 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.329 1.669 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.856 2.615 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.477 2.679 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.691 1.288 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.927 2.566 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.763 4.014 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.584 3.939 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.080 2.979 0.077 1.00 0.00 H new ATOM 118 N HIS A 20 -3.696 -1.146 -2.088 1.00 0.00 N ATOM 119 CA HIS A 20 -3.077 -2.183 -2.906 1.00 0.00 C ATOM 120 C HIS A 20 -1.823 -1.649 -3.591 1.00 0.00 C ATOM 121 O HIS A 20 -1.899 -0.762 -4.442 1.00 0.00 O ATOM 122 CB HIS A 20 -4.066 -2.695 -3.954 1.00 0.00 C ATOM 123 CG HIS A 20 -3.839 -4.123 -4.343 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.660 -4.805 -5.216 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.876 -5.001 -3.973 1.00 0.00 C ATOM 126 CE1 HIS A 20 -4.213 -6.039 -5.367 1.00 0.00 C ATOM 127 NE2 HIS A 20 -3.132 -6.183 -4.623 1.00 0.00 N ATOM 0 H HIS A 20 -4.504 -0.696 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.794 -3.009 -2.254 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.080 -2.589 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.997 -2.069 -4.844 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.485 -4.417 -5.674 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.059 -4.807 -3.293 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.656 -6.800 -5.992 1.00 0.00 H new ATOM 136 N ILE A 21 -0.671 -2.189 -3.211 1.00 0.00 N ATOM 137 CA ILE A 21 0.599 -1.763 -3.786 1.00 0.00 C ATOM 138 C ILE A 21 0.870 -2.463 -5.113 1.00 0.00 C ATOM 139 O ILE A 21 0.828 -3.691 -5.199 1.00 0.00 O ATOM 140 CB ILE A 21 1.771 -2.042 -2.825 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.372 -1.706 -1.387 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.998 -1.246 -3.241 1.00 0.00 C ATOM 143 CD1 ILE A 21 0.621 -0.400 -1.257 1.00 0.00 C ATOM 0 H ILE A 21 -0.590 -2.923 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 21 0.522 -0.689 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 21 2.017 -3.103 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.753 -2.512 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.270 -1.662 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.817 -1.454 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.292 -1.532 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.766 -0.181 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.371 -0.227 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.245 0.416 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.295 -0.447 -1.846 1.00 0.00 H new ATOM 155 N ARG A 22 1.151 -1.674 -6.145 1.00 0.00 N ATOM 156 CA ARG A 22 1.434 -2.215 -7.469 1.00 0.00 C ATOM 157 C ARG A 22 2.912 -2.054 -7.812 1.00 0.00 C ATOM 158 O ARG A 22 3.657 -1.393 -7.087 1.00 0.00 O ATOM 159 CB ARG A 22 0.574 -1.518 -8.524 1.00 0.00 C ATOM 160 CG ARG A 22 -0.875 -1.978 -8.529 1.00 0.00 C ATOM 161 CD ARG A 22 -1.475 -1.914 -9.923 1.00 0.00 C ATOM 162 NE ARG A 22 -1.246 -0.619 -10.559 1.00 0.00 N ATOM 163 CZ ARG A 22 -1.926 -0.186 -11.615 1.00 0.00 C ATOM 164 NH1 ARG A 22 -2.873 -0.944 -12.152 1.00 0.00 N ATOM 165 NH2 ARG A 22 -1.660 1.003 -12.137 1.00 0.00 N ATOM 0 H ARG A 22 1.189 -0.656 -6.089 1.00 0.00 H new ATOM 0 HA ARG A 22 1.192 -3.278 -7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.604 -0.442 -8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.006 -1.696 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.935 -2.999 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.458 -1.354 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.043 -2.702 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.547 -2.105 -9.865 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.523 -0.013 -10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.080 -1.860 -11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.395 -0.611 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.932 1.588 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.184 1.333 -12.948 1.00 0.00 H new ATOM 179 N LYS A 23 3.334 -2.665 -8.914 1.00 0.00 N ATOM 180 CA LYS A 23 4.727 -2.585 -9.336 1.00 0.00 C ATOM 181 C LYS A 23 5.652 -2.774 -8.141 1.00 0.00 C ATOM 182 O LYS A 23 6.730 -2.185 -8.077 1.00 0.00 O ATOM 183 CB LYS A 23 5.008 -1.234 -9.998 1.00 0.00 C ATOM 184 CG LYS A 23 5.722 -1.348 -11.334 1.00 0.00 C ATOM 185 CD LYS A 23 4.792 -1.862 -12.421 1.00 0.00 C ATOM 186 CE LYS A 23 5.437 -1.770 -13.794 1.00 0.00 C ATOM 187 NZ LYS A 23 6.199 -3.004 -14.134 1.00 0.00 N ATOM 0 H LYS A 23 2.735 -3.218 -9.528 1.00 0.00 H new ATOM 0 HA LYS A 23 4.913 -3.379 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.065 -0.707 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.612 -0.627 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.116 -0.373 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.575 -2.020 -11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.524 -2.898 -12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.867 -1.285 -12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.667 -1.600 -14.546 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.106 -0.910 -13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.623 -2.901 -15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.951 -3.153 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.556 -3.821 -14.131 1.00 0.00 H new ATOM 201 N LEU A 24 5.216 -3.595 -7.193 1.00 0.00 N ATOM 202 CA LEU A 24 5.998 -3.855 -5.992 1.00 0.00 C ATOM 203 C LEU A 24 6.431 -5.312 -5.925 1.00 0.00 C ATOM 204 O LEU A 24 5.610 -6.204 -5.711 1.00 0.00 O ATOM 205 CB LEU A 24 5.181 -3.501 -4.747 1.00 0.00 C ATOM 206 CG LEU A 24 5.567 -4.263 -3.478 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.060 -4.143 -3.216 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.771 -3.748 -2.288 1.00 0.00 C ATOM 0 H LEU A 24 4.326 -4.091 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 24 6.892 -3.232 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.284 -2.433 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.128 -3.687 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 24 5.329 -5.317 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.316 -4.691 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.612 -4.559 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.324 -3.093 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.057 -4.300 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.979 -2.688 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.706 -3.887 -2.475 1.00 0.00 H new ATOM 220 N PRO A 25 7.735 -5.574 -6.087 1.00 0.00 N ATOM 221 CA PRO A 25 8.272 -6.931 -6.022 1.00 0.00 C ATOM 222 C PRO A 25 8.177 -7.487 -4.611 1.00 0.00 C ATOM 223 O PRO A 25 9.193 -7.787 -3.984 1.00 0.00 O ATOM 224 CB PRO A 25 9.732 -6.766 -6.448 1.00 0.00 C ATOM 225 CG PRO A 25 10.061 -5.346 -6.136 1.00 0.00 C ATOM 226 CD PRO A 25 8.785 -4.569 -6.325 1.00 0.00 C ATOM 0 HA PRO A 25 7.725 -7.631 -6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.383 -7.451 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.861 -6.978 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.430 -5.247 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.845 -4.974 -6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.713 -3.738 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.717 -4.146 -7.327 1.00 0.00 H new ATOM 234 N ILE A 26 6.937 -7.596 -4.129 1.00 0.00 N ATOM 235 CA ILE A 26 6.635 -8.093 -2.786 1.00 0.00 C ATOM 236 C ILE A 26 7.862 -8.660 -2.086 1.00 0.00 C ATOM 237 O ILE A 26 8.324 -9.751 -2.416 1.00 0.00 O ATOM 238 CB ILE A 26 5.530 -9.162 -2.821 1.00 0.00 C ATOM 239 CG1 ILE A 26 4.239 -8.559 -3.373 1.00 0.00 C ATOM 240 CG2 ILE A 26 5.296 -9.730 -1.430 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.641 -7.499 -2.475 1.00 0.00 C ATOM 0 H ILE A 26 6.108 -7.340 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 26 6.287 -7.231 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 26 5.848 -9.974 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.439 -8.125 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.509 -9.355 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.511 -10.485 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.216 -10.184 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.993 -8.929 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.727 -7.113 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.410 -7.934 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.355 -6.685 -2.348 1.00 0.00 H new ATOM 253 N ASP A 27 8.365 -7.889 -1.119 1.00 0.00 N ATOM 254 CA ASP A 27 9.544 -8.244 -0.321 1.00 0.00 C ATOM 255 C ASP A 27 10.566 -7.104 -0.300 1.00 0.00 C ATOM 256 O ASP A 27 11.755 -7.338 -0.088 1.00 0.00 O ATOM 257 CB ASP A 27 10.215 -9.515 -0.844 1.00 0.00 C ATOM 258 CG ASP A 27 11.451 -9.889 -0.049 1.00 0.00 C ATOM 259 OD1 ASP A 27 11.302 -10.512 1.022 1.00 0.00 O ATOM 260 OD2 ASP A 27 12.569 -9.559 -0.499 1.00 0.00 O ATOM 0 H ASP A 27 7.960 -6.988 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 27 9.192 -8.425 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.502 -10.339 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.489 -9.374 -1.890 1.00 0.00 H new ATOM 265 N VAL A 28 10.103 -5.870 -0.507 1.00 0.00 N ATOM 266 CA VAL A 28 10.995 -4.717 -0.493 1.00 0.00 C ATOM 267 C VAL A 28 11.203 -4.205 0.924 1.00 0.00 C ATOM 268 O VAL A 28 11.810 -3.158 1.144 1.00 0.00 O ATOM 269 CB VAL A 28 10.460 -3.574 -1.373 1.00 0.00 C ATOM 270 CG1 VAL A 28 9.318 -2.861 -0.669 1.00 0.00 C ATOM 271 CG2 VAL A 28 11.575 -2.601 -1.724 1.00 0.00 C ATOM 0 H VAL A 28 9.124 -5.648 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 28 11.950 -5.052 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 28 10.080 -3.997 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.948 -2.054 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.512 -3.569 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.674 -2.448 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.176 -1.800 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.990 -2.177 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.359 -3.127 -2.268 1.00 0.00 H new ATOM 281 N THR A 29 10.702 -4.975 1.869 1.00 0.00 N ATOM 282 CA THR A 29 10.813 -4.663 3.290 1.00 0.00 C ATOM 283 C THR A 29 9.638 -3.833 3.784 1.00 0.00 C ATOM 284 O THR A 29 9.090 -3.004 3.057 1.00 0.00 O ATOM 285 CB THR A 29 12.119 -3.920 3.620 1.00 0.00 C ATOM 286 OG1 THR A 29 11.973 -2.520 3.359 1.00 0.00 O ATOM 287 CG2 THR A 29 13.273 -4.480 2.807 1.00 0.00 C ATOM 0 H THR A 29 10.202 -5.843 1.677 1.00 0.00 H new ATOM 0 HA THR A 29 10.813 -5.625 3.803 1.00 0.00 H new ATOM 0 HB THR A 29 12.336 -4.063 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.122 -2.348 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.188 -3.941 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.401 -5.538 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.060 -4.363 1.744 1.00 0.00 H new ATOM 295 N GLU A 30 9.268 -4.063 5.037 1.00 0.00 N ATOM 296 CA GLU A 30 8.167 -3.341 5.657 1.00 0.00 C ATOM 297 C GLU A 30 8.597 -1.922 6.004 1.00 0.00 C ATOM 298 O GLU A 30 7.838 -0.971 5.823 1.00 0.00 O ATOM 299 CB GLU A 30 7.695 -4.069 6.918 1.00 0.00 C ATOM 300 CG GLU A 30 6.777 -5.246 6.633 1.00 0.00 C ATOM 301 CD GLU A 30 7.535 -6.548 6.463 1.00 0.00 C ATOM 302 OE1 GLU A 30 8.782 -6.519 6.510 1.00 0.00 O ATOM 303 OE2 GLU A 30 6.881 -7.597 6.284 1.00 0.00 O ATOM 0 H GLU A 30 9.717 -4.747 5.646 1.00 0.00 H new ATOM 0 HA GLU A 30 7.340 -3.296 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.565 -4.423 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.175 -3.361 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.062 -5.350 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.202 -5.044 5.729 1.00 0.00 H new ATOM 310 N GLY A 31 9.824 -1.787 6.493 1.00 0.00 N ATOM 311 CA GLY A 31 10.337 -0.478 6.846 1.00 0.00 C ATOM 312 C GLY A 31 10.227 0.502 5.697 1.00 0.00 C ATOM 313 O GLY A 31 10.147 1.712 5.908 1.00 0.00 O ATOM 0 H GLY A 31 10.471 -2.559 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.788 -0.093 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.380 -0.567 7.148 1.00 0.00 H new ATOM 317 N GLU A 32 10.217 -0.025 4.476 1.00 0.00 N ATOM 318 CA GLU A 32 10.108 0.811 3.287 1.00 0.00 C ATOM 319 C GLU A 32 8.657 1.209 3.044 1.00 0.00 C ATOM 320 O GLU A 32 8.350 2.388 2.861 1.00 0.00 O ATOM 321 CB GLU A 32 10.662 0.074 2.066 1.00 0.00 C ATOM 322 CG GLU A 32 12.135 0.346 1.810 1.00 0.00 C ATOM 323 CD GLU A 32 13.031 -0.224 2.893 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.656 -0.135 4.080 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.105 -0.760 2.552 1.00 0.00 O ATOM 0 H GLU A 32 10.283 -1.025 4.285 1.00 0.00 H new ATOM 0 HA GLU A 32 10.695 1.715 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.517 -0.998 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.089 0.364 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.418 -0.081 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.295 1.422 1.740 1.00 0.00 H new ATOM 332 N VAL A 33 7.767 0.222 3.052 1.00 0.00 N ATOM 333 CA VAL A 33 6.347 0.476 2.840 1.00 0.00 C ATOM 334 C VAL A 33 5.788 1.371 3.941 1.00 0.00 C ATOM 335 O VAL A 33 5.152 2.389 3.666 1.00 0.00 O ATOM 336 CB VAL A 33 5.540 -0.835 2.800 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.126 -0.576 2.303 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.238 -1.867 1.929 1.00 0.00 C ATOM 0 H VAL A 33 8.003 -0.759 3.203 1.00 0.00 H new ATOM 0 HA VAL A 33 6.252 0.978 1.877 1.00 0.00 H new ATOM 0 HB VAL A 33 5.478 -1.232 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.571 -1.514 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.628 0.126 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.165 -0.154 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.652 -2.786 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.335 -1.481 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.228 -2.075 2.334 1.00 0.00 H new ATOM 348 N ILE A 34 6.037 0.989 5.189 1.00 0.00 N ATOM 349 CA ILE A 34 5.570 1.752 6.330 1.00 0.00 C ATOM 350 C ILE A 34 6.231 3.128 6.358 1.00 0.00 C ATOM 351 O ILE A 34 5.579 4.135 6.635 1.00 0.00 O ATOM 352 CB ILE A 34 5.862 1.001 7.646 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.851 -0.130 7.844 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.832 1.953 8.827 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.472 -1.509 7.812 1.00 0.00 C ATOM 0 H ILE A 34 6.563 0.150 5.432 1.00 0.00 H new ATOM 0 HA ILE A 34 4.492 1.880 6.234 1.00 0.00 H new ATOM 0 HB ILE A 34 6.861 0.570 7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.345 0.009 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.089 -0.065 7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.040 1.402 9.744 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.587 2.727 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.847 2.415 8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.697 -2.261 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.954 -1.669 6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.214 -1.593 8.607 1.00 0.00 H new ATOM 367 N SER A 35 7.526 3.164 6.062 1.00 0.00 N ATOM 368 CA SER A 35 8.268 4.418 6.046 1.00 0.00 C ATOM 369 C SER A 35 7.523 5.459 5.220 1.00 0.00 C ATOM 370 O SER A 35 7.561 6.652 5.523 1.00 0.00 O ATOM 371 CB SER A 35 9.671 4.203 5.476 1.00 0.00 C ATOM 372 OG SER A 35 10.180 5.396 4.907 1.00 0.00 O ATOM 0 H SER A 35 8.082 2.341 5.830 1.00 0.00 H new ATOM 0 HA SER A 35 8.360 4.778 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.339 3.860 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.643 3.419 4.719 1.00 0.00 H new ATOM 0 HG SER A 35 11.078 5.232 4.551 1.00 0.00 H new ATOM 378 N LEU A 36 6.838 4.995 4.180 1.00 0.00 N ATOM 379 CA LEU A 36 6.073 5.879 3.311 1.00 0.00 C ATOM 380 C LEU A 36 4.785 6.316 3.997 1.00 0.00 C ATOM 381 O LEU A 36 4.325 7.444 3.820 1.00 0.00 O ATOM 382 CB LEU A 36 5.748 5.177 1.990 1.00 0.00 C ATOM 383 CG LEU A 36 6.916 5.056 1.009 1.00 0.00 C ATOM 384 CD1 LEU A 36 6.403 4.867 -0.410 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.817 6.280 1.092 1.00 0.00 C ATOM 0 H LEU A 36 6.798 4.010 3.919 1.00 0.00 H new ATOM 0 HA LEU A 36 6.677 6.762 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.376 4.177 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.938 5.717 1.500 1.00 0.00 H new ATOM 0 HG LEU A 36 7.503 4.180 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.247 4.783 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.802 3.959 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.791 5.724 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.641 6.174 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.242 7.173 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.214 6.371 2.103 1.00 0.00 H new ATOM 397 N GLY A 37 4.209 5.413 4.783 1.00 0.00 N ATOM 398 CA GLY A 37 2.979 5.721 5.489 1.00 0.00 C ATOM 399 C GLY A 37 3.186 6.728 6.604 1.00 0.00 C ATOM 400 O GLY A 37 2.260 7.448 6.977 1.00 0.00 O ATOM 0 H GLY A 37 4.572 4.473 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.246 6.111 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.563 4.803 5.905 1.00 0.00 H new ATOM 404 N LEU A 38 4.404 6.778 7.137 1.00 0.00 N ATOM 405 CA LEU A 38 4.724 7.706 8.217 1.00 0.00 C ATOM 406 C LEU A 38 4.019 9.040 8.008 1.00 0.00 C ATOM 407 O LEU A 38 3.200 9.456 8.826 1.00 0.00 O ATOM 408 CB LEU A 38 6.237 7.921 8.302 1.00 0.00 C ATOM 409 CG LEU A 38 6.916 7.281 9.514 1.00 0.00 C ATOM 410 CD1 LEU A 38 6.264 5.949 9.848 1.00 0.00 C ATOM 411 CD2 LEU A 38 8.404 7.099 9.256 1.00 0.00 C ATOM 0 H LEU A 38 5.182 6.189 6.840 1.00 0.00 H new ATOM 0 HA LEU A 38 4.375 7.272 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.696 7.525 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.436 8.993 8.317 1.00 0.00 H new ATOM 0 HG LEU A 38 6.795 7.946 10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.760 5.508 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.210 6.107 10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.354 5.276 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.871 6.642 10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.547 6.454 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.862 8.070 9.066 1.00 0.00 H new ATOM 423 N PRO A 39 4.323 9.725 6.896 1.00 0.00 N ATOM 424 CA PRO A 39 3.708 11.013 6.571 1.00 0.00 C ATOM 425 C PRO A 39 2.216 10.870 6.299 1.00 0.00 C ATOM 426 O PRO A 39 1.455 11.831 6.418 1.00 0.00 O ATOM 427 CB PRO A 39 4.446 11.456 5.302 1.00 0.00 C ATOM 428 CG PRO A 39 4.974 10.195 4.708 1.00 0.00 C ATOM 429 CD PRO A 39 5.280 9.288 5.866 1.00 0.00 C ATOM 0 HA PRO A 39 3.789 11.728 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.775 11.967 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.252 12.151 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.241 9.742 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.869 10.387 4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.139 8.239 5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.311 9.397 6.202 1.00 0.00 H new ATOM 437 N PHE A 40 1.810 9.659 5.938 1.00 0.00 N ATOM 438 CA PHE A 40 0.411 9.370 5.650 1.00 0.00 C ATOM 439 C PHE A 40 -0.376 9.147 6.936 1.00 0.00 C ATOM 440 O PHE A 40 -1.576 8.881 6.899 1.00 0.00 O ATOM 441 CB PHE A 40 0.307 8.139 4.751 1.00 0.00 C ATOM 442 CG PHE A 40 1.104 8.265 3.486 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.442 9.514 2.993 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.517 7.140 2.792 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.178 9.641 1.832 1.00 0.00 C ATOM 446 CE2 PHE A 40 2.253 7.259 1.629 1.00 0.00 C ATOM 447 CZ PHE A 40 2.584 8.511 1.149 1.00 0.00 C ATOM 0 H PHE A 40 2.433 8.858 5.837 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.017 10.229 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.649 7.263 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.740 7.968 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.126 10.400 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.261 6.159 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.436 10.621 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.569 6.374 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.160 8.607 0.240 1.00 0.00 H new ATOM 457 N GLY A 41 0.302 9.255 8.072 1.00 0.00 N ATOM 458 CA GLY A 41 -0.361 9.060 9.347 1.00 0.00 C ATOM 459 C GLY A 41 0.239 7.918 10.140 1.00 0.00 C ATOM 460 O GLY A 41 1.294 8.071 10.756 1.00 0.00 O ATOM 0 H GLY A 41 1.296 9.474 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.297 9.978 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.420 8.864 9.177 1.00 0.00 H new ATOM 464 N LYS A 42 -0.431 6.771 10.126 1.00 0.00 N ATOM 465 CA LYS A 42 0.055 5.606 10.854 1.00 0.00 C ATOM 466 C LYS A 42 -0.372 4.308 10.179 1.00 0.00 C ATOM 467 O LYS A 42 -1.462 4.218 9.614 1.00 0.00 O ATOM 468 CB LYS A 42 -0.448 5.633 12.297 1.00 0.00 C ATOM 469 CG LYS A 42 0.532 6.262 13.273 1.00 0.00 C ATOM 470 CD LYS A 42 -0.109 6.501 14.630 1.00 0.00 C ATOM 471 CE LYS A 42 0.579 5.696 15.721 1.00 0.00 C ATOM 472 NZ LYS A 42 0.311 4.238 15.587 1.00 0.00 N ATOM 0 H LYS A 42 -1.306 6.624 9.622 1.00 0.00 H new ATOM 0 HA LYS A 42 1.144 5.646 10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.388 6.183 12.335 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.662 4.613 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.399 5.612 13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.894 7.207 12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.061 7.562 14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.164 6.231 14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.654 5.873 15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.236 6.040 16.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.797 3.724 16.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.713 4.066 15.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.661 3.904 14.666 1.00 0.00 H new ATOM 486 N VAL A 43 0.493 3.301 10.253 1.00 0.00 N ATOM 487 CA VAL A 43 0.207 2.001 9.662 1.00 0.00 C ATOM 488 C VAL A 43 -0.508 1.101 10.663 1.00 0.00 C ATOM 489 O VAL A 43 -0.001 0.847 11.756 1.00 0.00 O ATOM 490 CB VAL A 43 1.496 1.302 9.187 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.210 -0.142 8.804 1.00 0.00 C ATOM 492 CG2 VAL A 43 2.114 2.059 8.022 1.00 0.00 C ATOM 0 H VAL A 43 1.399 3.362 10.718 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.437 2.174 8.800 1.00 0.00 H new ATOM 0 HB VAL A 43 2.212 1.300 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.132 -0.620 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.816 -0.677 9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.477 -0.166 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.023 1.551 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.405 2.095 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.357 3.074 8.336 1.00 0.00 H new ATOM 502 N THR A 44 -1.690 0.628 10.287 1.00 0.00 N ATOM 503 CA THR A 44 -2.476 -0.236 11.159 1.00 0.00 C ATOM 504 C THR A 44 -2.308 -1.703 10.779 1.00 0.00 C ATOM 505 O THR A 44 -2.672 -2.599 11.541 1.00 0.00 O ATOM 506 CB THR A 44 -3.969 0.130 11.107 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.657 -0.716 10.179 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.135 1.581 10.703 1.00 0.00 C ATOM 0 H THR A 44 -2.125 0.828 9.386 1.00 0.00 H new ATOM 0 HA THR A 44 -2.106 -0.085 12.173 1.00 0.00 H new ATOM 0 HB THR A 44 -4.398 -0.015 12.099 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.425 -0.454 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.196 1.830 10.669 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.635 2.221 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.694 1.737 9.719 1.00 0.00 H new ATOM 516 N ASN A 45 -1.754 -1.939 9.594 1.00 0.00 N ATOM 517 CA ASN A 45 -1.534 -3.295 9.106 1.00 0.00 C ATOM 518 C ASN A 45 -1.051 -3.275 7.659 1.00 0.00 C ATOM 519 O ASN A 45 -1.491 -2.450 6.861 1.00 0.00 O ATOM 520 CB ASN A 45 -2.823 -4.113 9.215 1.00 0.00 C ATOM 521 CG ASN A 45 -2.573 -5.522 9.717 1.00 0.00 C ATOM 522 OD1 ASN A 45 -2.313 -6.435 8.933 1.00 0.00 O ATOM 523 ND2 ASN A 45 -2.651 -5.705 11.030 1.00 0.00 N ATOM 0 H ASN A 45 -1.449 -1.207 8.953 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.765 -3.760 9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.515 -3.608 9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.305 -4.158 8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.493 -6.632 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.869 -4.919 11.642 1.00 0.00 H new ATOM 530 N LEU A 46 -0.144 -4.190 7.329 1.00 0.00 N ATOM 531 CA LEU A 46 0.394 -4.273 5.976 1.00 0.00 C ATOM 532 C LEU A 46 0.749 -5.713 5.616 1.00 0.00 C ATOM 533 O LEU A 46 1.834 -6.195 5.941 1.00 0.00 O ATOM 534 CB LEU A 46 1.633 -3.385 5.839 1.00 0.00 C ATOM 535 CG LEU A 46 2.573 -3.759 4.692 1.00 0.00 C ATOM 536 CD1 LEU A 46 1.810 -3.837 3.378 1.00 0.00 C ATOM 537 CD2 LEU A 46 3.712 -2.757 4.588 1.00 0.00 C ATOM 0 H LEU A 46 0.232 -4.882 7.977 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.375 -3.923 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.309 -2.354 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.193 -3.421 6.774 1.00 0.00 H new ATOM 0 HG LEU A 46 2.996 -4.741 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.496 -4.104 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.029 -4.593 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.358 -2.869 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.371 -3.039 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.306 -1.763 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.277 -2.750 5.520 1.00 0.00 H new ATOM 549 N LEU A 47 -0.172 -6.393 4.941 1.00 0.00 N ATOM 550 CA LEU A 47 0.044 -7.777 4.534 1.00 0.00 C ATOM 551 C LEU A 47 0.570 -7.844 3.103 1.00 0.00 C ATOM 552 O LEU A 47 -0.017 -7.268 2.188 1.00 0.00 O ATOM 553 CB LEU A 47 -1.255 -8.574 4.650 1.00 0.00 C ATOM 554 CG LEU A 47 -1.102 -10.088 4.493 1.00 0.00 C ATOM 555 CD1 LEU A 47 -2.332 -10.807 5.025 1.00 0.00 C ATOM 556 CD2 LEU A 47 -0.859 -10.450 3.035 1.00 0.00 C ATOM 0 H LEU A 47 -1.075 -6.008 4.664 1.00 0.00 H new ATOM 0 HA LEU A 47 0.789 -8.214 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.704 -8.368 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.953 -8.214 3.894 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.239 -10.410 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.205 -11.883 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.462 -10.573 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.212 -10.481 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.752 -11.531 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.703 -10.115 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.052 -9.964 2.686 1.00 0.00 H new ATOM 568 N MET A 48 1.681 -8.551 2.918 1.00 0.00 N ATOM 569 CA MET A 48 2.286 -8.691 1.599 1.00 0.00 C ATOM 570 C MET A 48 1.816 -9.971 0.916 1.00 0.00 C ATOM 571 O MET A 48 1.741 -11.029 1.541 1.00 0.00 O ATOM 572 CB MET A 48 3.811 -8.692 1.712 1.00 0.00 C ATOM 573 CG MET A 48 4.380 -7.413 2.305 1.00 0.00 C ATOM 574 SD MET A 48 6.102 -7.588 2.811 1.00 0.00 S ATOM 575 CE MET A 48 6.941 -6.801 1.438 1.00 0.00 C ATOM 0 H MET A 48 2.180 -9.035 3.665 1.00 0.00 H new ATOM 0 HA MET A 48 1.973 -7.841 0.993 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.120 -9.537 2.328 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.240 -8.845 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.301 -6.610 1.572 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.780 -7.118 3.166 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.019 -6.877 1.579 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.661 -7.296 0.508 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.654 -5.750 1.390 1.00 0.00 H new ATOM 585 N LEU A 49 1.502 -9.869 -0.372 1.00 0.00 N ATOM 586 CA LEU A 49 1.042 -11.020 -1.141 1.00 0.00 C ATOM 587 C LEU A 49 1.922 -11.238 -2.368 1.00 0.00 C ATOM 588 O LEU A 49 1.788 -10.540 -3.373 1.00 0.00 O ATOM 589 CB LEU A 49 -0.414 -10.824 -1.571 1.00 0.00 C ATOM 590 CG LEU A 49 -1.166 -12.113 -1.911 1.00 0.00 C ATOM 591 CD1 LEU A 49 -1.895 -12.644 -0.688 1.00 0.00 C ATOM 592 CD2 LEU A 49 -2.141 -11.873 -3.054 1.00 0.00 C ATOM 0 H LEU A 49 1.558 -9.001 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 49 1.109 -11.903 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.947 -10.310 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.435 -10.168 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.441 -12.862 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.424 -13.561 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.174 -12.853 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.610 -11.899 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.668 -12.799 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.861 -11.108 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.593 -11.539 -3.935 1.00 0.00 H new ATOM 604 N LYS A 50 2.823 -12.212 -2.277 1.00 0.00 N ATOM 605 CA LYS A 50 3.728 -12.523 -3.377 1.00 0.00 C ATOM 606 C LYS A 50 2.956 -12.914 -4.633 1.00 0.00 C ATOM 607 O LYS A 50 3.518 -12.966 -5.726 1.00 0.00 O ATOM 608 CB LYS A 50 4.678 -13.653 -2.977 1.00 0.00 C ATOM 609 CG LYS A 50 5.918 -13.175 -2.239 1.00 0.00 C ATOM 610 CD LYS A 50 5.652 -13.006 -0.752 1.00 0.00 C ATOM 611 CE LYS A 50 6.727 -12.164 -0.087 1.00 0.00 C ATOM 612 NZ LYS A 50 7.327 -12.855 1.087 1.00 0.00 N ATOM 0 H LYS A 50 2.945 -12.799 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 50 4.308 -11.627 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.141 -14.361 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.984 -14.193 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.728 -13.890 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.250 -12.226 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.679 -12.537 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.608 -13.985 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.508 -11.935 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.299 -11.214 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.056 -12.247 1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.586 -13.051 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.759 -13.750 0.780 1.00 0.00 H new ATOM 626 N GLY A 51 1.664 -13.189 -4.468 1.00 0.00 N ATOM 627 CA GLY A 51 0.837 -13.572 -5.598 1.00 0.00 C ATOM 628 C GLY A 51 1.228 -12.856 -6.876 1.00 0.00 C ATOM 629 O GLY A 51 2.138 -13.289 -7.584 1.00 0.00 O ATOM 0 H GLY A 51 1.177 -13.153 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.913 -14.648 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.207 -13.356 -5.370 1.00 0.00 H new ATOM 633 N LYS A 52 0.543 -11.757 -7.171 1.00 0.00 N ATOM 634 CA LYS A 52 0.826 -10.977 -8.370 1.00 0.00 C ATOM 635 C LYS A 52 1.593 -9.706 -8.020 1.00 0.00 C ATOM 636 O LYS A 52 1.287 -8.625 -8.521 1.00 0.00 O ATOM 637 CB LYS A 52 -0.474 -10.621 -9.092 1.00 0.00 C ATOM 638 CG LYS A 52 -1.367 -11.819 -9.365 1.00 0.00 C ATOM 639 CD LYS A 52 -0.616 -12.917 -10.101 1.00 0.00 C ATOM 640 CE LYS A 52 -1.381 -14.230 -10.077 1.00 0.00 C ATOM 641 NZ LYS A 52 -0.553 -15.366 -10.566 1.00 0.00 N ATOM 0 H LYS A 52 -0.213 -11.386 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 52 1.444 -11.584 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.026 -9.897 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.233 -10.135 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.753 -12.209 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.227 -11.506 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.446 -12.613 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.364 -13.058 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.715 -14.436 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.275 -14.140 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.112 -16.242 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.255 -15.182 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.287 -15.469 -9.962 1.00 0.00 H new ATOM 655 N ASN A 53 2.590 -9.847 -7.153 1.00 0.00 N ATOM 656 CA ASN A 53 3.403 -8.714 -6.727 1.00 0.00 C ATOM 657 C ASN A 53 2.525 -7.541 -6.310 1.00 0.00 C ATOM 658 O ASN A 53 2.398 -6.557 -7.038 1.00 0.00 O ATOM 659 CB ASN A 53 4.353 -8.283 -7.846 1.00 0.00 C ATOM 660 CG ASN A 53 5.647 -9.075 -7.843 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.263 -9.202 -6.673 1.00 0.00 O flip ATOM 662 ND2 ASN A 53 6.087 -9.568 -8.881 1.00 0.00 N flip ATOM 0 H ASN A 53 2.855 -10.737 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 53 3.992 -9.029 -5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.856 -8.407 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.579 -7.222 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.581 -9.446 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.958 -10.099 -8.864 1.00 0.00 H new ATOM 669 N GLN A 54 1.923 -7.653 -5.132 1.00 0.00 N ATOM 670 CA GLN A 54 1.057 -6.603 -4.612 1.00 0.00 C ATOM 671 C GLN A 54 0.946 -6.701 -3.095 1.00 0.00 C ATOM 672 O GLN A 54 0.825 -7.794 -2.540 1.00 0.00 O ATOM 673 CB GLN A 54 -0.333 -6.698 -5.244 1.00 0.00 C ATOM 674 CG GLN A 54 -0.304 -6.935 -6.744 1.00 0.00 C ATOM 675 CD GLN A 54 -1.680 -6.849 -7.374 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.505 -7.861 -7.133 1.00 0.00 O flip ATOM 677 NE2 GLN A 54 -1.998 -5.885 -8.070 1.00 0.00 N flip ATOM 0 H GLN A 54 2.019 -8.462 -4.518 1.00 0.00 H new ATOM 0 HA GLN A 54 1.497 -5.639 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.885 -7.508 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.879 -5.777 -5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.352 -6.201 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.123 -7.918 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.332 -5.129 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.928 -5.842 -8.488 1.00 0.00 H new ATOM 686 N ALA A 55 0.987 -5.553 -2.428 1.00 0.00 N ATOM 687 CA ALA A 55 0.892 -5.513 -0.975 1.00 0.00 C ATOM 688 C ALA A 55 -0.443 -4.930 -0.533 1.00 0.00 C ATOM 689 O ALA A 55 -1.185 -4.372 -1.342 1.00 0.00 O ATOM 690 CB ALA A 55 2.042 -4.707 -0.391 1.00 0.00 C ATOM 0 H ALA A 55 1.085 -4.639 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 55 0.956 -6.535 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.957 -4.686 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.989 -5.168 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.005 -3.688 -0.777 1.00 0.00 H new ATOM 696 N PHE A 56 -0.748 -5.069 0.752 1.00 0.00 N ATOM 697 CA PHE A 56 -2.000 -4.561 1.293 1.00 0.00 C ATOM 698 C PHE A 56 -1.793 -3.924 2.663 1.00 0.00 C ATOM 699 O PHE A 56 -1.430 -4.601 3.623 1.00 0.00 O ATOM 700 CB PHE A 56 -3.025 -5.693 1.395 1.00 0.00 C ATOM 701 CG PHE A 56 -3.092 -6.555 0.165 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.981 -7.267 -0.264 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.267 -6.652 -0.562 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.044 -8.059 -1.394 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.335 -7.443 -1.693 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.222 -8.147 -2.110 1.00 0.00 C ATOM 0 H PHE A 56 -0.146 -5.528 1.436 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.373 -3.794 0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.780 -6.318 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.010 -5.265 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.057 -7.201 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.140 -6.103 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.173 -8.609 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.258 -7.511 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.273 -8.765 -2.994 1.00 0.00 H new ATOM 716 N ILE A 57 -2.035 -2.620 2.745 1.00 0.00 N ATOM 717 CA ILE A 57 -1.886 -1.891 3.999 1.00 0.00 C ATOM 718 C ILE A 57 -3.151 -1.105 4.317 1.00 0.00 C ATOM 719 O ILE A 57 -3.812 -0.587 3.417 1.00 0.00 O ATOM 720 CB ILE A 57 -0.694 -0.917 3.953 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.555 -0.181 5.290 1.00 0.00 C ATOM 722 CG2 ILE A 57 -0.873 0.069 2.814 1.00 0.00 C ATOM 723 CD1 ILE A 57 0.156 1.154 5.181 1.00 0.00 C ATOM 0 H ILE A 57 -2.335 -2.046 1.957 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.704 -2.632 4.777 1.00 0.00 H new ATOM 0 HB ILE A 57 0.220 -1.485 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.548 -0.020 5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.011 -0.816 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.025 0.754 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.930 -0.472 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.792 0.635 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.216 1.616 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.162 1.000 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.399 1.808 4.508 1.00 0.00 H new ATOM 735 N GLU A 58 -3.489 -1.022 5.597 1.00 0.00 N ATOM 736 CA GLU A 58 -4.681 -0.299 6.020 1.00 0.00 C ATOM 737 C GLU A 58 -4.328 0.819 6.995 1.00 0.00 C ATOM 738 O GLU A 58 -3.573 0.614 7.945 1.00 0.00 O ATOM 739 CB GLU A 58 -5.681 -1.258 6.667 1.00 0.00 C ATOM 740 CG GLU A 58 -6.594 -1.949 5.668 1.00 0.00 C ATOM 741 CD GLU A 58 -7.848 -2.509 6.314 1.00 0.00 C ATOM 742 OE1 GLU A 58 -8.850 -1.770 6.403 1.00 0.00 O ATOM 743 OE2 GLU A 58 -7.825 -3.687 6.729 1.00 0.00 O ATOM 0 H GLU A 58 -2.957 -1.445 6.358 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.134 0.148 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.134 -2.014 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.291 -0.706 7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.876 -1.241 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.048 -2.757 5.181 1.00 0.00 H new ATOM 750 N MET A 59 -4.885 2.001 6.752 1.00 0.00 N ATOM 751 CA MET A 59 -4.635 3.154 7.609 1.00 0.00 C ATOM 752 C MET A 59 -5.692 3.247 8.705 1.00 0.00 C ATOM 753 O MET A 59 -6.828 2.808 8.523 1.00 0.00 O ATOM 754 CB MET A 59 -4.621 4.439 6.780 1.00 0.00 C ATOM 755 CG MET A 59 -3.676 4.383 5.591 1.00 0.00 C ATOM 756 SD MET A 59 -2.170 3.457 5.943 1.00 0.00 S ATOM 757 CE MET A 59 -1.171 4.717 6.731 1.00 0.00 C ATOM 0 H MET A 59 -5.512 2.185 5.969 1.00 0.00 H new ATOM 0 HA MET A 59 -3.659 3.028 8.078 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.630 4.642 6.422 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.336 5.273 7.422 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.189 3.926 4.745 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.412 5.398 5.293 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.310 4.251 7.211 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.827 5.430 5.982 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.767 5.237 7.481 1.00 0.00 H new ATOM 767 N ASN A 60 -5.312 3.817 9.844 1.00 0.00 N ATOM 768 CA ASN A 60 -6.234 3.958 10.967 1.00 0.00 C ATOM 769 C ASN A 60 -7.334 4.962 10.646 1.00 0.00 C ATOM 770 O ASN A 60 -8.436 4.885 11.190 1.00 0.00 O ATOM 771 CB ASN A 60 -5.491 4.390 12.235 1.00 0.00 C ATOM 772 CG ASN A 60 -4.070 3.866 12.299 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.146 4.576 11.664 1.00 0.00 O flip ATOM 774 ND2 ASN A 60 -3.805 2.835 12.918 1.00 0.00 N flip ATOM 0 H ASN A 60 -4.377 4.187 10.014 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.689 2.983 11.143 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.473 5.479 12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.041 4.039 13.108 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.547 2.320 13.392 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.844 2.496 12.957 1.00 0.00 H new ATOM 781 N THR A 61 -7.031 5.904 9.758 1.00 0.00 N ATOM 782 CA THR A 61 -7.999 6.922 9.367 1.00 0.00 C ATOM 783 C THR A 61 -8.079 7.049 7.850 1.00 0.00 C ATOM 784 O THR A 61 -7.060 7.025 7.160 1.00 0.00 O ATOM 785 CB THR A 61 -7.646 8.295 9.968 1.00 0.00 C ATOM 786 OG1 THR A 61 -8.552 9.292 9.479 1.00 0.00 O ATOM 787 CG2 THR A 61 -6.219 8.688 9.618 1.00 0.00 C ATOM 0 H THR A 61 -6.125 5.983 9.297 1.00 0.00 H new ATOM 0 HA THR A 61 -8.967 6.603 9.755 1.00 0.00 H new ATOM 0 HB THR A 61 -7.733 8.225 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.322 10.162 9.867 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.992 9.661 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.529 7.943 10.015 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.112 8.741 8.535 1.00 0.00 H new ATOM 795 N GLU A 62 -9.297 7.184 7.337 1.00 0.00 N ATOM 796 CA GLU A 62 -9.510 7.316 5.901 1.00 0.00 C ATOM 797 C GLU A 62 -8.627 8.415 5.321 1.00 0.00 C ATOM 798 O GLU A 62 -8.358 8.441 4.120 1.00 0.00 O ATOM 799 CB GLU A 62 -10.981 7.619 5.608 1.00 0.00 C ATOM 800 CG GLU A 62 -11.946 6.661 6.286 1.00 0.00 C ATOM 801 CD GLU A 62 -12.721 7.314 7.413 1.00 0.00 C ATOM 802 OE1 GLU A 62 -13.540 8.212 7.128 1.00 0.00 O ATOM 803 OE2 GLU A 62 -12.508 6.926 8.582 1.00 0.00 O ATOM 0 H GLU A 62 -10.151 7.205 7.894 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.241 6.371 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.205 8.636 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.143 7.583 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.646 6.272 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.391 5.809 6.678 1.00 0.00 H new ATOM 810 N GLU A 63 -8.178 9.321 6.183 1.00 0.00 N ATOM 811 CA GLU A 63 -7.324 10.424 5.758 1.00 0.00 C ATOM 812 C GLU A 63 -5.913 9.934 5.451 1.00 0.00 C ATOM 813 O GLU A 63 -5.264 10.421 4.525 1.00 0.00 O ATOM 814 CB GLU A 63 -7.278 11.507 6.838 1.00 0.00 C ATOM 815 CG GLU A 63 -7.362 12.920 6.286 1.00 0.00 C ATOM 816 CD GLU A 63 -6.869 13.961 7.272 1.00 0.00 C ATOM 817 OE1 GLU A 63 -7.472 14.082 8.358 1.00 0.00 O ATOM 818 OE2 GLU A 63 -5.879 14.655 6.956 1.00 0.00 O ATOM 0 H GLU A 63 -8.391 9.313 7.180 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.747 10.847 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.101 11.349 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.354 11.402 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.773 12.984 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.395 13.140 6.017 1.00 0.00 H new ATOM 825 N ALA A 64 -5.443 8.967 6.234 1.00 0.00 N ATOM 826 CA ALA A 64 -4.107 8.414 6.041 1.00 0.00 C ATOM 827 C ALA A 64 -4.020 7.644 4.729 1.00 0.00 C ATOM 828 O ALA A 64 -3.105 7.856 3.932 1.00 0.00 O ATOM 829 CB ALA A 64 -3.728 7.516 7.213 1.00 0.00 C ATOM 0 H ALA A 64 -5.966 8.552 7.005 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.400 9.243 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.728 7.112 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.741 8.097 8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.443 6.697 7.290 1.00 0.00 H new ATOM 835 N ALA A 65 -4.977 6.748 4.510 1.00 0.00 N ATOM 836 CA ALA A 65 -5.010 5.945 3.293 1.00 0.00 C ATOM 837 C ALA A 65 -5.009 6.828 2.049 1.00 0.00 C ATOM 838 O ALA A 65 -4.138 6.704 1.188 1.00 0.00 O ATOM 839 CB ALA A 65 -6.230 5.036 3.295 1.00 0.00 C ATOM 0 H ALA A 65 -5.740 6.560 5.160 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.110 5.330 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.243 4.442 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.188 4.372 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.135 5.642 3.347 1.00 0.00 H new ATOM 845 N ASN A 66 -5.992 7.719 1.961 1.00 0.00 N ATOM 846 CA ASN A 66 -6.106 8.622 0.821 1.00 0.00 C ATOM 847 C ASN A 66 -4.740 9.171 0.420 1.00 0.00 C ATOM 848 O ASN A 66 -4.218 8.843 -0.647 1.00 0.00 O ATOM 849 CB ASN A 66 -7.055 9.776 1.151 1.00 0.00 C ATOM 850 CG ASN A 66 -8.326 9.731 0.326 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.323 10.065 -0.859 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.423 9.318 0.950 1.00 0.00 N ATOM 0 H ASN A 66 -6.721 7.835 2.665 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.510 8.056 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.311 9.741 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.545 10.724 0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.308 9.268 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.380 9.051 1.933 1.00 0.00 H new ATOM 859 N THR A 67 -4.167 10.008 1.278 1.00 0.00 N ATOM 860 CA THR A 67 -2.863 10.604 1.010 1.00 0.00 C ATOM 861 C THR A 67 -1.909 9.585 0.396 1.00 0.00 C ATOM 862 O THR A 67 -1.273 9.852 -0.624 1.00 0.00 O ATOM 863 CB THR A 67 -2.230 11.172 2.294 1.00 0.00 C ATOM 864 OG1 THR A 67 -2.947 12.338 2.720 1.00 0.00 O ATOM 865 CG2 THR A 67 -0.767 11.527 2.067 1.00 0.00 C ATOM 0 H THR A 67 -4.585 10.289 2.165 1.00 0.00 H new ATOM 0 HA THR A 67 -3.027 11.418 0.303 1.00 0.00 H new ATOM 0 HB THR A 67 -2.286 10.407 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.539 12.692 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.342 11.926 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.217 10.633 1.771 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.692 12.276 1.279 1.00 0.00 H new ATOM 873 N MET A 68 -1.812 8.418 1.024 1.00 0.00 N ATOM 874 CA MET A 68 -0.932 7.362 0.539 1.00 0.00 C ATOM 875 C MET A 68 -0.943 7.299 -0.985 1.00 0.00 C ATOM 876 O MET A 68 0.071 7.550 -1.634 1.00 0.00 O ATOM 877 CB MET A 68 -1.353 6.011 1.119 1.00 0.00 C ATOM 878 CG MET A 68 -0.317 4.916 0.921 1.00 0.00 C ATOM 879 SD MET A 68 0.090 4.057 2.453 1.00 0.00 S ATOM 880 CE MET A 68 1.755 3.505 2.099 1.00 0.00 C ATOM 0 H MET A 68 -2.331 8.180 1.869 1.00 0.00 H new ATOM 0 HA MET A 68 0.082 7.591 0.867 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.548 6.127 2.185 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.290 5.702 0.656 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.691 4.195 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.590 5.351 0.501 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.241 3.196 3.025 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.720 2.662 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.320 4.320 1.647 1.00 0.00 H new ATOM 890 N VAL A 69 -2.098 6.963 -1.551 1.00 0.00 N ATOM 891 CA VAL A 69 -2.241 6.867 -2.998 1.00 0.00 C ATOM 892 C VAL A 69 -2.353 8.250 -3.633 1.00 0.00 C ATOM 893 O VAL A 69 -1.541 8.623 -4.480 1.00 0.00 O ATOM 894 CB VAL A 69 -3.477 6.035 -3.388 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.764 6.163 -4.875 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.282 4.578 -2.998 1.00 0.00 C ATOM 0 H VAL A 69 -2.948 6.753 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.346 6.370 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.338 6.422 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.641 5.567 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.952 7.208 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.905 5.805 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.165 4.004 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.409 4.177 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.133 4.507 -1.921 1.00 0.00 H new ATOM 906 N ASN A 70 -3.366 9.004 -3.218 1.00 0.00 N ATOM 907 CA ASN A 70 -3.587 10.345 -3.747 1.00 0.00 C ATOM 908 C ASN A 70 -2.270 11.104 -3.885 1.00 0.00 C ATOM 909 O ASN A 70 -2.141 11.992 -4.728 1.00 0.00 O ATOM 910 CB ASN A 70 -4.543 11.122 -2.839 1.00 0.00 C ATOM 911 CG ASN A 70 -5.231 12.260 -3.565 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.809 12.668 -4.647 1.00 0.00 O ATOM 913 ND2 ASN A 70 -6.298 12.783 -2.970 1.00 0.00 N ATOM 0 H ASN A 70 -4.046 8.709 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.033 10.247 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.295 10.441 -2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.990 11.519 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.801 13.553 -3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.614 12.414 -2.073 1.00 0.00 H new ATOM 920 N TYR A 71 -1.297 10.749 -3.054 1.00 0.00 N ATOM 921 CA TYR A 71 0.009 11.400 -3.086 1.00 0.00 C ATOM 922 C TYR A 71 0.917 10.750 -4.125 1.00 0.00 C ATOM 923 O TYR A 71 1.582 11.438 -4.899 1.00 0.00 O ATOM 924 CB TYR A 71 0.669 11.339 -1.707 1.00 0.00 C ATOM 925 CG TYR A 71 2.071 11.905 -1.680 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.394 13.045 -2.406 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.071 11.300 -0.930 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.674 13.565 -2.385 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.353 11.815 -0.904 1.00 0.00 C ATOM 930 CZ TYR A 71 4.650 12.947 -1.633 1.00 0.00 C ATOM 931 OH TYR A 71 5.925 13.463 -1.609 1.00 0.00 O ATOM 0 H TYR A 71 -1.386 10.016 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.142 12.443 -3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.052 11.886 -0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.699 10.302 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.632 13.532 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.843 10.413 -0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.909 14.452 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.119 11.333 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 71 6.491 12.910 -1.031 1.00 0.00 H new ATOM 941 N TYR A 72 0.941 9.421 -4.136 1.00 0.00 N ATOM 942 CA TYR A 72 1.768 8.680 -5.080 1.00 0.00 C ATOM 943 C TYR A 72 1.068 8.542 -6.429 1.00 0.00 C ATOM 944 O TYR A 72 1.528 7.810 -7.305 1.00 0.00 O ATOM 945 CB TYR A 72 2.100 7.295 -4.520 1.00 0.00 C ATOM 946 CG TYR A 72 3.001 7.334 -3.307 1.00 0.00 C ATOM 947 CD1 TYR A 72 4.004 8.288 -3.193 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.848 6.415 -2.275 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.829 8.327 -2.085 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.670 6.447 -1.164 1.00 0.00 C ATOM 951 CZ TYR A 72 4.658 7.404 -1.075 1.00 0.00 C ATOM 952 OH TYR A 72 5.477 7.440 0.030 1.00 0.00 O ATOM 0 H TYR A 72 0.397 8.836 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 72 2.693 9.237 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.172 6.786 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.579 6.702 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.141 9.011 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.075 5.664 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.603 9.076 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.539 5.726 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 72 4.970 7.766 0.803 1.00 0.00 H new ATOM 962 N THR A 73 -0.045 9.250 -6.590 1.00 0.00 N ATOM 963 CA THR A 73 -0.804 9.206 -7.835 1.00 0.00 C ATOM 964 C THR A 73 -0.049 9.901 -8.961 1.00 0.00 C ATOM 965 O THR A 73 -0.272 9.620 -10.139 1.00 0.00 O ATOM 966 CB THR A 73 -2.186 9.867 -7.675 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.730 9.561 -6.385 1.00 0.00 O ATOM 968 CG2 THR A 73 -3.142 9.391 -8.757 1.00 0.00 C ATOM 0 H THR A 73 -0.441 9.860 -5.875 1.00 0.00 H new ATOM 0 HA THR A 73 -0.940 8.154 -8.086 1.00 0.00 H new ATOM 0 HB THR A 73 -2.061 10.946 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.241 8.807 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.111 9.871 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.741 9.650 -9.737 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.260 8.310 -8.688 1.00 0.00 H new ATOM 976 N SER A 74 0.848 10.809 -8.590 1.00 0.00 N ATOM 977 CA SER A 74 1.641 11.545 -9.568 1.00 0.00 C ATOM 978 C SER A 74 3.124 11.228 -9.411 1.00 0.00 C ATOM 979 O SER A 74 3.868 11.187 -10.391 1.00 0.00 O ATOM 980 CB SER A 74 1.410 13.050 -9.412 1.00 0.00 C ATOM 981 OG SER A 74 2.007 13.771 -10.477 1.00 0.00 O ATOM 0 H SER A 74 1.044 11.053 -7.619 1.00 0.00 H new ATOM 0 HA SER A 74 1.325 11.237 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.340 13.256 -9.384 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.825 13.388 -8.462 1.00 0.00 H new ATOM 0 HG SER A 74 1.844 14.730 -10.355 1.00 0.00 H new ATOM 987 N VAL A 75 3.546 11.004 -8.171 1.00 0.00 N ATOM 988 CA VAL A 75 4.940 10.690 -7.881 1.00 0.00 C ATOM 989 C VAL A 75 5.081 9.266 -7.355 1.00 0.00 C ATOM 990 O VAL A 75 4.413 8.879 -6.396 1.00 0.00 O ATOM 991 CB VAL A 75 5.532 11.666 -6.849 1.00 0.00 C ATOM 992 CG1 VAL A 75 4.617 11.784 -5.639 1.00 0.00 C ATOM 993 CG2 VAL A 75 6.926 11.224 -6.433 1.00 0.00 C ATOM 0 H VAL A 75 2.942 11.034 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 75 5.489 10.787 -8.818 1.00 0.00 H new ATOM 0 HB VAL A 75 5.612 12.650 -7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.052 12.478 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.641 12.153 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.501 10.805 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.328 11.927 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.875 10.230 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.576 11.198 -7.308 1.00 0.00 H new ATOM 1003 N THR A 76 5.955 8.489 -7.986 1.00 0.00 N ATOM 1004 CA THR A 76 6.182 7.112 -7.582 1.00 0.00 C ATOM 1005 C THR A 76 7.410 6.997 -6.685 1.00 0.00 C ATOM 1006 O THR A 76 8.476 7.522 -7.007 1.00 0.00 O ATOM 1007 CB THR A 76 6.365 6.197 -8.808 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.088 5.862 -9.366 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.105 4.926 -8.423 1.00 0.00 C ATOM 0 H THR A 76 6.517 8.793 -8.781 1.00 0.00 H new ATOM 0 HA THR A 76 5.301 6.793 -7.025 1.00 0.00 H new ATOM 0 HB THR A 76 6.954 6.733 -9.552 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.986 4.888 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.224 4.294 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.087 5.183 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.536 4.389 -7.664 1.00 0.00 H new ATOM 1017 N PRO A 77 7.276 6.302 -5.547 1.00 0.00 N ATOM 1018 CA PRO A 77 8.358 6.106 -4.607 1.00 0.00 C ATOM 1019 C PRO A 77 9.039 4.751 -4.778 1.00 0.00 C ATOM 1020 O PRO A 77 8.397 3.707 -4.659 1.00 0.00 O ATOM 1021 CB PRO A 77 7.622 6.170 -3.272 1.00 0.00 C ATOM 1022 CG PRO A 77 6.231 5.673 -3.563 1.00 0.00 C ATOM 1023 CD PRO A 77 6.060 5.643 -5.063 1.00 0.00 C ATOM 0 HA PRO A 77 9.161 6.834 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.113 5.550 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.603 7.187 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.084 4.679 -3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.488 6.326 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.977 4.623 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.161 6.173 -5.377 1.00 0.00 H new ATOM 1031 N VAL A 78 10.339 4.771 -5.054 1.00 0.00 N ATOM 1032 CA VAL A 78 11.092 3.536 -5.233 1.00 0.00 C ATOM 1033 C VAL A 78 11.773 3.121 -3.931 1.00 0.00 C ATOM 1034 O VAL A 78 11.648 3.797 -2.910 1.00 0.00 O ATOM 1035 CB VAL A 78 12.144 3.668 -6.363 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.662 4.642 -7.424 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.501 4.097 -5.819 1.00 0.00 C ATOM 0 H VAL A 78 10.890 5.623 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 78 10.380 2.763 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 78 12.268 2.685 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.412 4.724 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.726 4.281 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.501 5.621 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 78 14.213 4.179 -6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.406 5.063 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.857 3.356 -5.103 1.00 0.00 H new ATOM 1047 N LEU A 79 12.492 2.005 -3.973 1.00 0.00 N ATOM 1048 CA LEU A 79 13.190 1.505 -2.796 1.00 0.00 C ATOM 1049 C LEU A 79 14.564 0.959 -3.168 1.00 0.00 C ATOM 1050 O LEU A 79 14.675 -0.022 -3.903 1.00 0.00 O ATOM 1051 CB LEU A 79 12.361 0.414 -2.115 1.00 0.00 C ATOM 1052 CG LEU A 79 11.212 0.924 -1.244 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.670 2.092 -0.386 1.00 0.00 C ATOM 1054 CD2 LEU A 79 10.026 1.329 -2.108 1.00 0.00 C ATOM 0 H LEU A 79 12.606 1.431 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 79 13.327 2.336 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.951 -0.242 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.024 -0.192 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 79 10.897 0.116 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.839 2.441 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.487 1.771 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.013 2.903 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.218 1.689 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.329 2.121 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.681 0.467 -2.679 1.00 0.00 H new ATOM 1066 N ARG A 80 15.608 1.604 -2.660 1.00 0.00 N ATOM 1067 CA ARG A 80 16.975 1.185 -2.942 1.00 0.00 C ATOM 1068 C ARG A 80 17.192 1.026 -4.443 1.00 0.00 C ATOM 1069 O ARG A 80 18.106 0.326 -4.879 1.00 0.00 O ATOM 1070 CB ARG A 80 17.287 -0.130 -2.226 1.00 0.00 C ATOM 1071 CG ARG A 80 18.655 -0.153 -1.564 1.00 0.00 C ATOM 1072 CD ARG A 80 18.686 -1.107 -0.382 1.00 0.00 C ATOM 1073 NE ARG A 80 19.114 -2.447 -0.772 1.00 0.00 N ATOM 1074 CZ ARG A 80 20.298 -2.713 -1.314 1.00 0.00 C ATOM 1075 NH1 ARG A 80 21.168 -1.735 -1.524 1.00 0.00 N ATOM 1076 NH2 ARG A 80 20.614 -3.958 -1.645 1.00 0.00 N ATOM 0 H ARG A 80 15.533 2.419 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 80 17.650 1.957 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.524 -0.312 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 80 17.226 -0.948 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.408 -0.451 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.915 0.851 -1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.361 -0.718 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.694 -1.160 0.068 1.00 0.00 H new ATOM 0 HE ARG A 80 18.469 -3.222 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.929 -0.777 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.076 -1.941 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.948 -4.713 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.523 -4.160 -2.061 1.00 0.00 H new ATOM 1090 N GLY A 81 16.343 1.680 -5.229 1.00 0.00 N ATOM 1091 CA GLY A 81 16.456 1.600 -6.673 1.00 0.00 C ATOM 1092 C GLY A 81 15.371 0.741 -7.293 1.00 0.00 C ATOM 1093 O GLY A 81 15.477 0.335 -8.449 1.00 0.00 O ATOM 0 H GLY A 81 15.578 2.264 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.405 2.604 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.432 1.193 -6.936 1.00 0.00 H new ATOM 1097 N GLN A 82 14.322 0.465 -6.523 1.00 0.00 N ATOM 1098 CA GLN A 82 13.215 -0.351 -7.007 1.00 0.00 C ATOM 1099 C GLN A 82 11.895 0.405 -6.905 1.00 0.00 C ATOM 1100 O GLN A 82 11.277 0.462 -5.842 1.00 0.00 O ATOM 1101 CB GLN A 82 13.132 -1.659 -6.219 1.00 0.00 C ATOM 1102 CG GLN A 82 14.478 -2.335 -6.021 1.00 0.00 C ATOM 1103 CD GLN A 82 15.142 -2.707 -7.332 1.00 0.00 C ATOM 1104 OE1 GLN A 82 16.321 -2.421 -7.548 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.388 -3.350 -8.217 1.00 0.00 N ATOM 0 H GLN A 82 14.216 0.794 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 82 13.400 -0.581 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.688 -1.459 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.463 -2.345 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.135 -1.670 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.344 -3.233 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.416 -3.567 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.781 -3.627 -9.117 1.00 0.00 H new ATOM 1114 N PRO A 83 11.453 1.003 -8.021 1.00 0.00 N ATOM 1115 CA PRO A 83 10.205 1.772 -8.074 1.00 0.00 C ATOM 1116 C PRO A 83 8.969 0.909 -7.831 1.00 0.00 C ATOM 1117 O PRO A 83 8.551 0.148 -8.704 1.00 0.00 O ATOM 1118 CB PRO A 83 10.181 2.338 -9.503 1.00 0.00 C ATOM 1119 CG PRO A 83 11.575 2.186 -10.012 1.00 0.00 C ATOM 1120 CD PRO A 83 12.141 0.984 -9.318 1.00 0.00 C ATOM 0 HA PRO A 83 10.178 2.536 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.473 1.795 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.873 3.384 -9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.583 2.051 -11.094 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.168 3.075 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.939 0.066 -9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.223 1.055 -9.203 1.00 0.00 H new ATOM 1128 N ILE A 84 8.382 1.045 -6.647 1.00 0.00 N ATOM 1129 CA ILE A 84 7.186 0.290 -6.296 1.00 0.00 C ATOM 1130 C ILE A 84 6.031 1.239 -5.983 1.00 0.00 C ATOM 1131 O ILE A 84 6.069 1.981 -5.001 1.00 0.00 O ATOM 1132 CB ILE A 84 7.443 -0.661 -5.102 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.240 0.055 -3.763 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.850 -1.232 -5.183 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.574 -0.808 -2.560 1.00 0.00 C ATOM 0 H ILE A 84 8.715 1.671 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 84 6.917 -0.324 -7.156 1.00 0.00 H new ATOM 0 HB ILE A 84 6.720 -1.475 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.860 0.951 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.203 0.383 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.021 -1.900 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.964 -1.788 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.575 -0.419 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.408 -0.238 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.936 -1.692 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.619 -1.115 -2.611 1.00 0.00 H new ATOM 1147 N TYR A 85 5.017 1.228 -6.845 1.00 0.00 N ATOM 1148 CA TYR A 85 3.861 2.107 -6.687 1.00 0.00 C ATOM 1149 C TYR A 85 2.911 1.610 -5.601 1.00 0.00 C ATOM 1150 O TYR A 85 2.876 0.422 -5.280 1.00 0.00 O ATOM 1151 CB TYR A 85 3.106 2.232 -8.012 1.00 0.00 C ATOM 1152 CG TYR A 85 3.993 2.145 -9.236 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.342 2.469 -9.168 1.00 0.00 C ATOM 1154 CD2 TYR A 85 3.478 1.739 -10.462 1.00 0.00 C ATOM 1155 CE1 TYR A 85 6.153 2.393 -10.285 1.00 0.00 C ATOM 1156 CE2 TYR A 85 4.282 1.659 -11.583 1.00 0.00 C ATOM 1157 CZ TYR A 85 5.618 1.987 -11.490 1.00 0.00 C ATOM 1158 OH TYR A 85 6.422 1.910 -12.603 1.00 0.00 O ATOM 0 H TYR A 85 4.973 0.619 -7.662 1.00 0.00 H new ATOM 0 HA TYR A 85 4.236 3.084 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.353 1.446 -8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.575 3.184 -8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.765 2.786 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.432 1.482 -10.539 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.200 2.650 -10.215 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.866 1.341 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 85 5.892 1.607 -13.369 1.00 0.00 H new ATOM 1168 N ILE A 86 2.136 2.539 -5.046 1.00 0.00 N ATOM 1169 CA ILE A 86 1.173 2.226 -4.004 1.00 0.00 C ATOM 1170 C ILE A 86 -0.216 2.732 -4.395 1.00 0.00 C ATOM 1171 O ILE A 86 -0.488 3.930 -4.331 1.00 0.00 O ATOM 1172 CB ILE A 86 1.596 2.860 -2.662 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.731 2.055 -2.027 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.414 2.956 -1.713 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.720 2.908 -1.262 1.00 0.00 C ATOM 0 H ILE A 86 2.161 3.525 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 86 1.141 1.143 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 86 1.955 3.870 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.306 1.312 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.261 1.510 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.737 3.406 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.364 3.573 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.020 1.958 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.498 2.272 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.173 3.634 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.203 3.433 -0.459 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.088 1.816 -4.805 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.442 2.181 -5.211 1.00 0.00 C ATOM 1189 C GLN A 87 -3.481 1.611 -4.253 1.00 0.00 C ATOM 1190 O GLN A 87 -3.152 0.867 -3.331 1.00 0.00 O ATOM 1191 CB GLN A 87 -2.719 1.691 -6.633 1.00 0.00 C ATOM 1192 CG GLN A 87 -3.001 2.813 -7.619 1.00 0.00 C ATOM 1193 CD GLN A 87 -4.483 3.029 -7.849 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -5.114 3.849 -7.180 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -5.049 2.293 -8.798 1.00 0.00 N ATOM 0 H GLN A 87 -0.883 0.819 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.516 3.268 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.861 1.117 -6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.571 1.012 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.556 3.737 -7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.519 2.586 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.489 1.626 -9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.044 2.395 -8.997 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.742 1.970 -4.483 1.00 0.00 N ATOM 1205 CA PHE A 88 -5.840 1.500 -3.646 1.00 0.00 C ATOM 1206 C PHE A 88 -6.143 0.030 -3.915 1.00 0.00 C ATOM 1207 O PHE A 88 -5.478 -0.614 -4.727 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.094 2.340 -3.896 1.00 0.00 C ATOM 1209 CG PHE A 88 -6.943 3.783 -3.505 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.603 4.132 -2.208 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.142 4.790 -4.436 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.464 5.458 -1.847 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.005 6.119 -4.080 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.665 6.453 -2.783 1.00 0.00 C ATOM 0 H PHE A 88 -5.028 2.586 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.537 1.606 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.353 2.285 -4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.927 1.908 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.445 3.359 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.407 4.534 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.198 5.717 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.163 6.895 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.557 7.490 -2.502 1.00 0.00 H new