USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1346 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 106 GLN : amide:sc= -3.07! C(o=-4.7!,f=-7.6!) USER MOD Set 1.2: A 108 TYR OH : rot -171:sc= -1.66! USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= -3.73! (180deg=-6.76!) USER MOD Single : A 8 SER OG : rot -100:sc= 0.0061 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 14 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.61) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -91:sc= -1.49! USER MOD Single : A 24 CYS SG : rot 25:sc= 0.163 USER MOD Single : A 26 CYS SG : rot -165:sc= 0.574 USER MOD Single : A 31 SER OG : rot 71:sc= 1.41 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -16:sc= 0.442 USER MOD Single : A 36 CYS SG : rot 38:sc= -1.87 USER MOD Single : A 37 ASN : amide:sc= -3.12! C(o=-3.1!,f=-13!) USER MOD Single : A 38 SER OG : rot 52:sc= 1.23 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -111:sc= 0.567 USER MOD Single : A 53 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 55 SER OG : rot -87:sc= 0.625 USER MOD Single : A 57 HIS : no HE2:sc= -0.829 K(o=-0.83,f=-4!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 90:sc= -1.56 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.095 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0649 K(o=0.065,f=-6.9!) USER MOD Single : A 81 SER OG : rot -158:sc= -0.644! USER MOD Single : A 82 CYS SG : rot 19:sc= 0.26 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -3.91! (180deg=-5.44!) USER MOD Single : A 96 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.6) USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0154 (180deg=-0.514) USER MOD Single : A 104 ASN : amide:sc= -3! C(o=-3!,f=-5.1!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 104:sc= -1.14! USER MOD Single : A 116 SER OG : rot 180:sc=0.000239 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.6!) USER MOD Single : A 122 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-2.8!) USER MOD Single : A 127 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-4.2!) USER MOD Single : A 128 SER OG : rot 49:sc= -0.986! USER MOD Single : A 129 CYS SG : rot 44:sc= -0.779 USER MOD Single : A 130 LYS NZ :NH3+ -128:sc= -0.09 (180deg=-0.625) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.058) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.5!) USER MOD Single : A 149 TYR OH : rot 158:sc= -0.459 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.904) USER MOD Single : A 156 TYR OH : rot 165:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ -179:sc= 0.365 (180deg=0.361) USER MOD Single : A 166 SER OG : rot 180:sc=0.000585 USER MOD Single : A 170 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.11) USER MOD Single : A 171 SER OG : rot -125:sc= -0.84 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.953 -12.028 1.100 1.00 0.01 N ATOM 58 CA GLY A 5 13.635 -10.821 0.285 1.00 0.01 C ATOM 59 C GLY A 5 14.777 -9.810 0.403 1.00 0.01 C ATOM 60 O GLY A 5 15.415 -9.701 1.431 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.490 -11.102 -0.758 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.702 -10.373 0.627 1.00 0.01 H new ATOM 64 N LYS A 6 15.046 -9.072 -0.642 1.00 0.00 N ATOM 65 CA LYS A 6 16.155 -8.071 -0.593 1.00 0.01 C ATOM 66 C LYS A 6 15.866 -6.924 -1.560 1.00 0.01 C ATOM 67 O LYS A 6 15.438 -7.131 -2.684 1.00 0.00 O ATOM 68 CB LYS A 6 17.484 -8.737 -0.969 1.00 0.02 C ATOM 69 CG LYS A 6 18.588 -7.679 -1.045 1.00 0.02 C ATOM 70 CD LYS A 6 19.960 -8.361 -1.004 1.00 0.02 C ATOM 71 CE LYS A 6 20.043 -9.420 -2.107 1.00 0.02 C ATOM 72 NZ LYS A 6 19.310 -10.644 -1.677 1.00 0.02 N ATOM 0 H LYS A 6 14.545 -9.119 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 6 16.227 -7.678 0.421 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.744 -9.495 -0.230 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.388 -9.246 -1.928 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.487 -7.099 -1.962 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.493 -6.980 -0.214 1.00 0.02 H new ATOM 0 HD2 LYS A 6 20.749 -7.621 -1.137 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.118 -8.824 -0.030 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.614 -9.032 -3.031 1.00 0.02 H new ATOM 0 HE3 LYS A 6 21.085 -9.662 -2.316 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 19.859 -11.488 -1.940 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 19.177 -10.625 -0.646 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 18.382 -10.675 -2.145 1.00 0.02 H new ATOM 86 N ILE A 7 16.124 -5.713 -1.119 1.00 0.02 N ATOM 87 CA ILE A 7 15.902 -4.503 -1.976 1.00 0.00 C ATOM 88 C ILE A 7 17.168 -3.634 -1.965 1.00 0.02 C ATOM 89 O ILE A 7 17.805 -3.468 -0.943 1.00 0.01 O ATOM 90 CB ILE A 7 14.689 -3.728 -1.453 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.513 -2.435 -2.252 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.896 -3.385 0.019 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.161 -1.802 -1.904 1.00 0.02 C ATOM 0 H ILE A 7 16.485 -5.510 -0.187 1.00 0.02 H new ATOM 0 HA ILE A 7 15.700 -4.799 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 7 13.798 -4.346 -1.564 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.322 -1.741 -2.024 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.565 -2.645 -3.320 1.00 0.02 H new ATOM 0 HG21 ILE A 7 14.032 -2.834 0.389 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.014 -4.304 0.594 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.791 -2.772 0.127 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.034 -0.881 -2.472 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.359 -2.496 -2.154 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.128 -1.578 -0.838 1.00 0.02 H new ATOM 105 N SER A 8 17.533 -3.077 -3.101 1.00 0.02 N ATOM 106 CA SER A 8 18.759 -2.210 -3.179 1.00 0.02 C ATOM 107 C SER A 8 18.383 -0.804 -3.664 1.00 0.01 C ATOM 108 O SER A 8 17.709 -0.639 -4.659 1.00 0.02 O ATOM 109 CB SER A 8 19.777 -2.824 -4.147 1.00 0.30 C ATOM 110 OG SER A 8 19.778 -4.237 -3.991 1.00 0.39 O ATOM 0 H SER A 8 17.031 -3.187 -3.982 1.00 0.02 H new ATOM 0 HA SER A 8 19.199 -2.143 -2.184 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.525 -2.560 -5.174 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.771 -2.424 -3.950 1.00 0.30 H new ATOM 0 HG SER A 8 20.540 -4.504 -3.436 1.00 0.39 H new ATOM 116 N PHE A 9 18.836 0.211 -2.963 1.00 0.02 N ATOM 117 CA PHE A 9 18.541 1.627 -3.358 1.00 0.01 C ATOM 118 C PHE A 9 19.832 2.302 -3.851 1.00 0.01 C ATOM 119 O PHE A 9 20.894 2.090 -3.296 1.00 0.02 O ATOM 120 CB PHE A 9 18.016 2.392 -2.135 1.00 0.02 C ATOM 121 CG PHE A 9 17.062 1.522 -1.352 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.561 0.562 -0.464 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.680 1.682 -1.505 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.678 -0.237 0.270 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.797 0.882 -0.772 1.00 0.02 C ATOM 126 CZ PHE A 9 15.296 -0.078 0.117 1.00 0.02 C ATOM 0 H PHE A 9 19.406 0.116 -2.122 1.00 0.02 H new ATOM 0 HA PHE A 9 17.795 1.635 -4.153 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.849 2.695 -1.500 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.511 3.303 -2.455 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.627 0.438 -0.346 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.295 2.424 -2.189 1.00 0.01 H new ATOM 0 HE1 PHE A 9 17.063 -0.977 0.955 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.731 1.005 -0.892 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.615 -0.695 0.684 1.00 0.02 H new ATOM 136 N TYR A 10 19.755 3.105 -4.892 1.00 0.02 N ATOM 137 CA TYR A 10 20.983 3.790 -5.430 1.00 0.01 C ATOM 138 C TYR A 10 20.774 5.312 -5.434 1.00 0.02 C ATOM 139 O TYR A 10 19.703 5.804 -5.748 1.00 0.01 O ATOM 140 CB TYR A 10 21.235 3.322 -6.868 1.00 0.02 C ATOM 141 CG TYR A 10 21.070 1.821 -6.963 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.791 1.249 -6.890 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.193 1.000 -7.133 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.638 -0.138 -6.986 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.038 -0.387 -7.229 1.00 0.02 C ATOM 146 CZ TYR A 10 20.762 -0.957 -7.156 1.00 0.00 C ATOM 147 OH TYR A 10 20.610 -2.325 -7.249 1.00 0.02 O ATOM 0 H TYR A 10 18.893 3.316 -5.394 1.00 0.02 H new ATOM 0 HA TYR A 10 21.836 3.540 -4.798 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.539 3.816 -7.547 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.240 3.606 -7.180 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.924 1.880 -6.760 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.178 1.438 -7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.653 -0.578 -6.929 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.904 -1.019 -7.360 1.00 0.02 H new ATOM 0 HH TYR A 10 21.488 -2.745 -7.366 1.00 0.02 H new ATOM 157 N GLU A 11 21.779 6.065 -5.057 1.00 0.00 N ATOM 158 CA GLU A 11 21.621 7.547 -5.007 1.00 0.02 C ATOM 159 C GLU A 11 21.476 8.149 -6.406 1.00 0.03 C ATOM 160 O GLU A 11 20.861 9.187 -6.558 1.00 0.03 O ATOM 161 CB GLU A 11 22.853 8.173 -4.340 1.00 0.00 C ATOM 162 CG GLU A 11 22.864 7.845 -2.847 1.00 0.00 C ATOM 163 CD GLU A 11 21.866 8.743 -2.112 1.00 0.02 C ATOM 164 OE1 GLU A 11 21.186 9.508 -2.776 1.00 0.01 O ATOM 165 OE2 GLU A 11 21.799 8.650 -0.897 1.00 0.02 O ATOM 0 H GLU A 11 22.698 5.716 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 11 20.717 7.761 -4.437 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.762 7.797 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.844 9.254 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.606 6.797 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.865 7.990 -2.441 1.00 0.00 H new ATOM 172 N ASP A 12 22.030 7.535 -7.430 1.00 0.02 N ATOM 173 CA ASP A 12 21.907 8.117 -8.807 1.00 0.01 C ATOM 174 C ASP A 12 21.080 7.190 -9.701 1.00 0.02 C ATOM 175 O ASP A 12 20.762 6.073 -9.347 1.00 0.02 O ATOM 176 CB ASP A 12 23.298 8.282 -9.425 1.00 0.01 C ATOM 177 CG ASP A 12 24.206 9.044 -8.455 1.00 0.01 C ATOM 178 OD1 ASP A 12 24.030 8.883 -7.258 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.062 9.774 -8.926 1.00 0.02 O ATOM 0 H ASP A 12 22.557 6.664 -7.372 1.00 0.02 H new ATOM 0 HA ASP A 12 21.414 9.086 -8.731 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.726 7.305 -9.647 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.225 8.821 -10.370 1.00 0.01 H new ATOM 184 N ARG A 13 20.730 7.672 -10.857 1.00 0.02 N ATOM 185 CA ARG A 13 19.916 6.869 -11.812 1.00 0.02 C ATOM 186 C ARG A 13 20.789 5.804 -12.479 1.00 0.00 C ATOM 187 O ARG A 13 21.997 5.919 -12.541 1.00 0.02 O ATOM 188 CB ARG A 13 19.359 7.813 -12.878 1.00 0.00 C ATOM 189 CG ARG A 13 18.228 8.652 -12.279 1.00 0.01 C ATOM 190 CD ARG A 13 17.682 9.604 -13.344 1.00 0.02 C ATOM 191 NE ARG A 13 18.696 10.657 -13.633 1.00 0.03 N ATOM 192 CZ ARG A 13 18.585 11.390 -14.706 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.592 11.194 -15.530 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.468 12.318 -14.957 1.00 0.02 N ATOM 0 H ARG A 13 20.977 8.605 -11.188 1.00 0.02 H new ATOM 0 HA ARG A 13 19.104 6.372 -11.281 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.150 8.464 -13.251 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.989 7.240 -13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.432 8.002 -11.914 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.595 9.218 -11.423 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.445 9.052 -14.254 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.755 10.061 -12.998 1.00 0.02 H new ATOM 0 HE ARG A 13 19.476 10.804 -12.992 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.903 10.468 -15.335 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.505 11.767 -16.369 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.245 12.470 -14.314 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.381 12.891 -15.796 1.00 0.02 H new ATOM 208 N ASN A 14 20.169 4.773 -12.991 1.00 0.02 N ATOM 209 CA ASN A 14 20.924 3.685 -13.677 1.00 0.02 C ATOM 210 C ASN A 14 21.817 2.930 -12.685 1.00 0.02 C ATOM 211 O ASN A 14 22.904 2.495 -13.003 1.00 0.02 O ATOM 212 CB ASN A 14 21.762 4.294 -14.808 1.00 0.26 C ATOM 213 CG ASN A 14 20.981 5.437 -15.462 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.433 6.566 -15.478 1.00 0.74 O ATOM 215 ND2 ASN A 14 19.821 5.192 -16.005 1.00 0.46 N ATOM 0 H ASN A 14 19.158 4.638 -12.962 1.00 0.02 H new ATOM 0 HA ASN A 14 20.219 2.967 -14.095 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.709 4.664 -14.415 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.001 3.532 -15.549 1.00 0.26 H new ATOM 0 HD21 ASN A 14 19.293 5.947 -16.443 1.00 0.46 H new ATOM 0 HD22 ASN A 14 19.441 4.245 -15.992 1.00 0.46 H new ATOM 222 N PHE A 15 21.328 2.794 -11.475 1.00 0.02 N ATOM 223 CA PHE A 15 22.062 2.075 -10.383 1.00 0.02 C ATOM 224 C PHE A 15 23.500 2.572 -10.255 1.00 0.00 C ATOM 225 O PHE A 15 24.429 1.804 -10.101 1.00 0.02 O ATOM 226 CB PHE A 15 22.038 0.550 -10.607 1.00 0.02 C ATOM 227 CG PHE A 15 22.373 0.202 -12.036 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.353 0.104 -12.990 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.703 -0.025 -12.408 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.663 -0.222 -14.316 1.00 0.02 C ATOM 231 CE2 PHE A 15 24.014 -0.351 -13.733 1.00 0.02 C ATOM 232 CZ PHE A 15 22.994 -0.449 -14.687 1.00 0.02 C ATOM 0 H PHE A 15 20.421 3.164 -11.190 1.00 0.02 H new ATOM 0 HA PHE A 15 21.545 2.293 -9.448 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.751 0.070 -9.937 1.00 0.02 H new ATOM 0 HB3 PHE A 15 21.052 0.159 -10.356 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.327 0.280 -12.703 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.490 0.051 -11.672 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.876 -0.298 -15.052 1.00 0.02 H new ATOM 0 HE2 PHE A 15 25.040 -0.527 -14.019 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.234 -0.700 -15.710 1.00 0.02 H new ATOM 242 N GLN A 16 23.673 3.866 -10.290 1.00 0.02 N ATOM 243 CA GLN A 16 25.031 4.474 -10.139 1.00 0.02 C ATOM 244 C GLN A 16 25.066 5.229 -8.808 1.00 0.02 C ATOM 245 O GLN A 16 24.039 5.471 -8.199 1.00 0.02 O ATOM 246 CB GLN A 16 25.278 5.456 -11.289 1.00 0.02 C ATOM 247 CG GLN A 16 25.642 4.678 -12.555 1.00 0.00 C ATOM 248 CD GLN A 16 25.968 5.658 -13.684 1.00 0.00 C ATOM 249 OE1 GLN A 16 27.105 5.769 -14.097 1.00 0.02 O ATOM 250 NE2 GLN A 16 25.011 6.380 -14.204 1.00 0.02 N ATOM 0 H GLN A 16 22.919 4.540 -10.419 1.00 0.02 H new ATOM 0 HA GLN A 16 25.800 3.701 -10.158 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.387 6.059 -11.464 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.083 6.143 -11.028 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.498 4.031 -12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.814 4.032 -12.848 1.00 0.00 H new ATOM 0 HE21 GLN A 16 24.056 6.287 -13.857 1.00 0.02 H new ATOM 0 HE22 GLN A 16 25.219 7.037 -14.956 1.00 0.02 H new ATOM 259 N GLY A 17 26.228 5.605 -8.340 1.00 0.03 N ATOM 260 CA GLY A 17 26.302 6.346 -7.046 1.00 0.03 C ATOM 261 C GLY A 17 26.404 5.366 -5.872 1.00 0.02 C ATOM 262 O GLY A 17 26.624 4.184 -6.052 1.00 0.02 O ATOM 0 H GLY A 17 27.124 5.432 -8.795 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.166 7.010 -7.049 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.418 6.973 -6.928 1.00 0.03 H new ATOM 266 N ARG A 18 26.231 5.851 -4.672 1.00 0.00 N ATOM 267 CA ARG A 18 26.299 4.959 -3.478 1.00 0.02 C ATOM 268 C ARG A 18 25.097 4.012 -3.490 1.00 0.02 C ATOM 269 O ARG A 18 24.006 4.381 -3.881 1.00 0.02 O ATOM 270 CB ARG A 18 26.263 5.819 -2.211 1.00 0.79 C ATOM 271 CG ARG A 18 26.672 4.974 -0.999 1.00 1.49 C ATOM 272 CD ARG A 18 26.857 5.884 0.219 1.00 1.42 C ATOM 273 NE ARG A 18 25.687 6.799 0.340 1.00 2.07 N ATOM 274 CZ ARG A 18 25.481 7.452 1.451 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.302 7.307 2.455 1.00 2.53 N ATOM 276 NH2 ARG A 18 24.455 8.252 1.559 1.00 2.76 N ATOM 0 H ARG A 18 26.044 6.832 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 18 27.220 4.376 -3.499 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.937 6.669 -2.318 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.262 6.223 -2.063 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.910 4.222 -0.792 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.598 4.439 -1.211 1.00 1.49 H new ATOM 0 HD2 ARG A 18 26.957 5.283 1.123 1.00 1.42 H new ATOM 0 HD3 ARG A 18 27.775 6.462 0.118 1.00 1.42 H new ATOM 0 HE ARG A 18 25.047 6.915 -0.446 1.00 2.07 H new ATOM 0 HH11 ARG A 18 27.105 6.683 2.371 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.141 7.817 3.323 1.00 2.53 H new ATOM 0 HH21 ARG A 18 23.813 8.367 0.775 1.00 2.76 H new ATOM 0 HH22 ARG A 18 24.295 8.762 2.428 1.00 2.76 H new ATOM 290 N ARG A 19 25.301 2.782 -3.082 1.00 0.02 N ATOM 291 CA ARG A 19 24.193 1.774 -3.080 1.00 0.02 C ATOM 292 C ARG A 19 23.985 1.222 -1.665 1.00 0.02 C ATOM 293 O ARG A 19 24.913 1.103 -0.890 1.00 0.02 O ATOM 294 CB ARG A 19 24.589 0.615 -4.002 1.00 0.85 C ATOM 295 CG ARG A 19 23.417 -0.362 -4.162 1.00 1.31 C ATOM 296 CD ARG A 19 23.890 -1.611 -4.911 1.00 1.34 C ATOM 297 NE ARG A 19 24.631 -2.502 -3.974 1.00 1.50 N ATOM 298 CZ ARG A 19 24.866 -3.744 -4.303 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.450 -4.204 -5.451 1.00 1.72 N ATOM 300 NH2 ARG A 19 25.515 -4.525 -3.484 1.00 1.89 N ATOM 0 H ARG A 19 26.198 2.430 -2.747 1.00 0.02 H new ATOM 0 HA ARG A 19 23.272 2.247 -3.422 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.885 1.002 -4.977 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.453 0.093 -3.591 1.00 0.85 H new ATOM 0 HG2 ARG A 19 23.025 -0.639 -3.183 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.604 0.116 -4.708 1.00 1.31 H new ATOM 0 HD2 ARG A 19 23.036 -2.140 -5.333 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.533 -1.327 -5.744 1.00 1.34 H new ATOM 0 HE ARG A 19 24.955 -2.142 -3.076 1.00 1.50 H new ATOM 0 HH11 ARG A 19 23.942 -3.594 -6.091 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.633 -5.174 -5.708 1.00 1.72 H new ATOM 0 HH21 ARG A 19 25.839 -4.166 -2.586 1.00 1.89 H new ATOM 0 HH22 ARG A 19 25.698 -5.495 -3.742 1.00 1.89 H new ATOM 314 N TYR A 20 22.769 0.851 -1.347 1.00 0.02 N ATOM 315 CA TYR A 20 22.478 0.257 0.000 1.00 0.02 C ATOM 316 C TYR A 20 21.569 -0.958 -0.168 1.00 0.02 C ATOM 317 O TYR A 20 20.570 -0.892 -0.848 1.00 0.02 O ATOM 318 CB TYR A 20 21.793 1.269 0.921 1.00 0.02 C ATOM 319 CG TYR A 20 21.885 0.754 2.339 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.033 -0.273 2.765 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.836 1.283 3.217 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.131 -0.767 4.069 1.00 0.02 C ATOM 323 CE2 TYR A 20 22.935 0.787 4.522 1.00 0.02 C ATOM 324 CZ TYR A 20 22.082 -0.238 4.948 1.00 0.02 C ATOM 325 OH TYR A 20 22.180 -0.724 6.235 1.00 0.01 O ATOM 0 H TYR A 20 21.961 0.933 -1.963 1.00 0.02 H new ATOM 0 HA TYR A 20 23.426 -0.035 0.453 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.273 2.244 0.839 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.751 1.402 0.632 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.300 -0.683 2.086 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.494 2.074 2.888 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.472 -1.557 4.398 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.670 1.195 5.200 1.00 0.02 H new ATOM 0 HH TYR A 20 22.892 -0.248 6.711 1.00 0.01 H new ATOM 335 N ASP A 21 21.896 -2.058 0.461 1.00 0.01 N ATOM 336 CA ASP A 21 21.044 -3.287 0.359 1.00 0.02 C ATOM 337 C ASP A 21 20.341 -3.515 1.701 1.00 0.00 C ATOM 338 O ASP A 21 20.936 -3.391 2.753 1.00 0.01 O ATOM 339 CB ASP A 21 21.943 -4.485 0.045 1.00 0.12 C ATOM 340 CG ASP A 21 22.442 -4.386 -1.396 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.955 -3.338 -1.754 1.00 0.56 O ATOM 342 OD2 ASP A 21 22.303 -5.360 -2.119 1.00 1.12 O ATOM 0 H ASP A 21 22.724 -2.160 1.047 1.00 0.01 H new ATOM 0 HA ASP A 21 20.301 -3.168 -0.429 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.788 -4.509 0.733 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.391 -5.414 0.187 1.00 0.12 H new ATOM 347 N CYS A 22 19.065 -3.833 1.664 1.00 0.01 N ATOM 348 CA CYS A 22 18.290 -4.057 2.929 1.00 0.00 C ATOM 349 C CYS A 22 17.584 -5.412 2.868 1.00 0.02 C ATOM 350 O CYS A 22 17.037 -5.797 1.848 1.00 0.01 O ATOM 351 CB CYS A 22 17.251 -2.946 3.084 1.00 0.00 C ATOM 352 SG CYS A 22 16.363 -3.166 4.645 1.00 0.02 S ATOM 0 H CYS A 22 18.525 -3.947 0.806 1.00 0.01 H new ATOM 0 HA CYS A 22 18.970 -4.046 3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.739 -1.972 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.551 -2.968 2.249 1.00 0.00 H new ATOM 0 HG CYS A 22 15.303 -3.892 4.443 1.00 0.02 H new ATOM 358 N ASP A 23 17.601 -6.144 3.959 1.00 0.01 N ATOM 359 CA ASP A 23 16.946 -7.490 4.001 1.00 0.02 C ATOM 360 C ASP A 23 15.837 -7.517 5.063 1.00 0.00 C ATOM 361 O ASP A 23 15.317 -8.565 5.390 1.00 0.02 O ATOM 362 CB ASP A 23 18.003 -8.542 4.346 1.00 0.16 C ATOM 363 CG ASP A 23 17.347 -9.923 4.409 1.00 0.17 C ATOM 364 OD1 ASP A 23 16.395 -10.139 3.677 1.00 0.17 O ATOM 365 OD2 ASP A 23 17.809 -10.742 5.187 1.00 0.20 O ATOM 0 H ASP A 23 18.047 -5.861 4.832 1.00 0.01 H new ATOM 0 HA ASP A 23 16.502 -7.702 3.028 1.00 0.02 H new ATOM 0 HB2 ASP A 23 18.794 -8.537 3.596 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.469 -8.305 5.303 1.00 0.16 H new ATOM 370 N CYS A 24 15.457 -6.383 5.600 1.00 0.01 N ATOM 371 CA CYS A 24 14.372 -6.371 6.629 1.00 0.01 C ATOM 372 C CYS A 24 13.766 -4.960 6.701 1.00 0.01 C ATOM 373 O CYS A 24 14.249 -4.044 6.066 1.00 0.01 O ATOM 374 CB CYS A 24 14.952 -6.756 7.995 1.00 0.62 C ATOM 375 SG CYS A 24 15.161 -8.553 8.081 1.00 1.23 S ATOM 0 H CYS A 24 15.849 -5.470 5.371 1.00 0.01 H new ATOM 0 HA CYS A 24 13.598 -7.089 6.357 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.911 -6.260 8.147 1.00 0.62 H new ATOM 0 HB3 CYS A 24 14.289 -6.418 8.791 1.00 0.62 H new ATOM 0 HG CYS A 24 15.285 -9.033 6.879 1.00 1.23 H new ATOM 381 N ASP A 25 12.710 -4.770 7.453 1.00 0.02 N ATOM 382 CA ASP A 25 12.082 -3.415 7.543 1.00 0.01 C ATOM 383 C ASP A 25 13.058 -2.405 8.157 1.00 0.02 C ATOM 384 O ASP A 25 13.843 -2.730 9.026 1.00 0.00 O ATOM 385 CB ASP A 25 10.841 -3.502 8.434 1.00 0.01 C ATOM 386 CG ASP A 25 11.181 -4.269 9.712 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.018 -3.794 10.462 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.598 -5.321 9.921 1.00 0.01 O ATOM 0 H ASP A 25 12.256 -5.495 8.009 1.00 0.02 H new ATOM 0 HA ASP A 25 11.815 -3.085 6.539 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.488 -2.501 8.682 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.033 -4.003 7.901 1.00 0.01 H new ATOM 393 N CYS A 26 12.991 -1.168 7.718 1.00 0.01 N ATOM 394 CA CYS A 26 13.885 -0.103 8.278 1.00 0.01 C ATOM 395 C CYS A 26 13.049 1.154 8.562 1.00 0.01 C ATOM 396 O CYS A 26 12.441 1.714 7.672 1.00 0.01 O ATOM 397 CB CYS A 26 14.980 0.225 7.269 1.00 0.01 C ATOM 398 SG CYS A 26 16.292 1.172 8.082 1.00 0.02 S ATOM 0 H CYS A 26 12.351 -0.849 6.991 1.00 0.01 H new ATOM 0 HA CYS A 26 14.344 -0.454 9.202 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.388 -0.694 6.849 1.00 0.01 H new ATOM 0 HB3 CYS A 26 14.565 0.798 6.440 1.00 0.01 H new ATOM 0 HG CYS A 26 17.060 1.710 7.182 1.00 0.02 H new ATOM 404 N ALA A 27 12.983 1.572 9.801 1.00 0.01 N ATOM 405 CA ALA A 27 12.148 2.762 10.154 1.00 0.01 C ATOM 406 C ALA A 27 12.838 4.075 9.762 1.00 0.01 C ATOM 407 O ALA A 27 12.192 5.096 9.625 1.00 0.02 O ATOM 408 CB ALA A 27 11.877 2.762 11.660 1.00 0.24 C ATOM 0 H ALA A 27 13.472 1.140 10.585 1.00 0.01 H new ATOM 0 HA ALA A 27 11.212 2.694 9.599 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.269 3.628 11.920 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.346 1.850 11.934 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.823 2.808 12.200 1.00 0.24 H new ATOM 414 N ASP A 28 14.133 4.075 9.600 1.00 0.01 N ATOM 415 CA ASP A 28 14.836 5.345 9.229 1.00 0.02 C ATOM 416 C ASP A 28 16.140 5.019 8.499 1.00 0.01 C ATOM 417 O ASP A 28 17.103 4.584 9.097 1.00 0.02 O ATOM 418 CB ASP A 28 15.143 6.146 10.496 1.00 0.67 C ATOM 419 CG ASP A 28 15.772 7.486 10.111 1.00 0.90 C ATOM 420 OD1 ASP A 28 16.917 7.483 9.692 1.00 1.14 O ATOM 421 OD2 ASP A 28 15.097 8.495 10.244 1.00 0.87 O ATOM 0 H ASP A 28 14.735 3.258 9.707 1.00 0.01 H new ATOM 0 HA ASP A 28 14.196 5.934 8.573 1.00 0.02 H new ATOM 0 HB2 ASP A 28 14.228 6.311 11.065 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.821 5.585 11.139 1.00 0.67 H new ATOM 426 N PHE A 29 16.176 5.222 7.202 1.00 0.02 N ATOM 427 CA PHE A 29 17.414 4.925 6.407 1.00 0.02 C ATOM 428 C PHE A 29 18.171 6.230 6.099 1.00 0.00 C ATOM 429 O PHE A 29 19.088 6.258 5.303 1.00 0.02 O ATOM 430 CB PHE A 29 17.016 4.223 5.076 1.00 2.87 C ATOM 431 CG PHE A 29 17.287 2.723 5.128 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.549 2.238 5.505 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.272 1.816 4.785 1.00 4.68 C ATOM 434 CE1 PHE A 29 18.790 0.863 5.546 1.00 5.75 C ATOM 435 CE2 PHE A 29 16.519 0.439 4.824 1.00 5.85 C ATOM 436 CZ PHE A 29 17.777 -0.037 5.209 1.00 6.37 C ATOM 0 H PHE A 29 15.395 5.584 6.655 1.00 0.02 H new ATOM 0 HA PHE A 29 18.064 4.269 6.987 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.959 4.395 4.875 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.573 4.665 4.250 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.336 2.930 5.764 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.299 2.181 4.491 1.00 4.68 H new ATOM 0 HE1 PHE A 29 19.762 0.495 5.839 1.00 5.75 H new ATOM 0 HE2 PHE A 29 15.738 -0.257 4.557 1.00 5.85 H new ATOM 0 HZ PHE A 29 17.964 -1.100 5.246 1.00 6.37 H new ATOM 446 N ARG A 30 17.748 7.317 6.684 1.00 0.01 N ATOM 447 CA ARG A 30 18.391 8.632 6.399 1.00 0.00 C ATOM 448 C ARG A 30 19.878 8.638 6.771 1.00 0.01 C ATOM 449 O ARG A 30 20.653 9.379 6.198 1.00 0.02 O ATOM 450 CB ARG A 30 17.683 9.729 7.196 1.00 0.32 C ATOM 451 CG ARG A 30 16.216 9.806 6.766 1.00 0.86 C ATOM 452 CD ARG A 30 15.578 11.065 7.355 1.00 1.62 C ATOM 453 NE ARG A 30 15.610 10.985 8.843 1.00 2.25 N ATOM 454 CZ ARG A 30 15.387 12.053 9.559 1.00 2.70 C ATOM 455 NH1 ARG A 30 15.138 13.191 8.973 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.416 11.983 10.861 1.00 3.02 N ATOM 0 H ARG A 30 16.978 7.351 7.353 1.00 0.01 H new ATOM 0 HA ARG A 30 18.306 8.812 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.750 9.518 8.263 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.173 10.688 7.029 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.145 9.824 5.678 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.679 8.920 7.106 1.00 0.86 H new ATOM 0 HD2 ARG A 30 16.115 11.951 7.016 1.00 1.62 H new ATOM 0 HD3 ARG A 30 14.550 11.162 7.007 1.00 1.62 H new ATOM 0 HE ARG A 30 15.806 10.095 9.302 1.00 2.25 H new ATOM 0 HH11 ARG A 30 15.117 13.247 7.955 1.00 3.11 H new ATOM 0 HH12 ARG A 30 14.964 14.026 9.533 1.00 3.11 H new ATOM 0 HH21 ARG A 30 15.613 11.093 11.320 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.242 12.818 11.421 1.00 3.02 H new ATOM 470 N SER A 31 20.296 7.861 7.734 1.00 0.02 N ATOM 471 CA SER A 31 21.736 7.888 8.134 1.00 0.02 C ATOM 472 C SER A 31 22.605 7.138 7.122 1.00 0.01 C ATOM 473 O SER A 31 23.810 7.288 7.104 1.00 0.02 O ATOM 474 CB SER A 31 21.886 7.234 9.507 1.00 0.37 C ATOM 475 OG SER A 31 21.245 5.965 9.495 1.00 0.88 O ATOM 0 H SER A 31 19.709 7.213 8.259 1.00 0.02 H new ATOM 0 HA SER A 31 22.066 8.926 8.168 1.00 0.02 H new ATOM 0 HB2 SER A 31 22.941 7.119 9.755 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.446 7.869 10.275 1.00 0.37 H new ATOM 0 HG SER A 31 21.764 5.342 8.944 1.00 0.88 H new ATOM 481 N TYR A 32 22.011 6.311 6.302 1.00 0.01 N ATOM 482 CA TYR A 32 22.809 5.520 5.311 1.00 0.01 C ATOM 483 C TYR A 32 22.601 6.074 3.900 1.00 0.02 C ATOM 484 O TYR A 32 23.403 5.847 3.016 1.00 0.02 O ATOM 485 CB TYR A 32 22.336 4.071 5.362 1.00 0.02 C ATOM 486 CG TYR A 32 22.582 3.520 6.747 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.838 2.997 7.078 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.556 3.531 7.701 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.068 2.487 8.362 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.787 3.021 8.984 1.00 0.02 C ATOM 491 CZ TYR A 32 23.043 2.498 9.314 1.00 0.02 C ATOM 492 OH TYR A 32 23.270 1.996 10.579 1.00 0.02 O ATOM 0 H TYR A 32 21.005 6.147 6.274 1.00 0.01 H new ATOM 0 HA TYR A 32 23.869 5.585 5.557 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.276 4.013 5.117 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.868 3.475 4.620 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.629 2.987 6.343 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.587 3.933 7.446 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.037 2.085 8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.996 3.031 9.719 1.00 0.02 H new ATOM 0 HH TYR A 32 22.454 2.081 11.116 1.00 0.02 H new ATOM 502 N LEU A 33 21.531 6.788 3.676 1.00 0.02 N ATOM 503 CA LEU A 33 21.258 7.344 2.313 1.00 0.02 C ATOM 504 C LEU A 33 20.533 8.684 2.460 1.00 0.02 C ATOM 505 O LEU A 33 19.522 8.794 3.124 1.00 0.02 O ATOM 506 CB LEU A 33 20.331 6.372 1.553 1.00 1.66 C ATOM 507 CG LEU A 33 21.145 5.277 0.839 1.00 2.38 C ATOM 508 CD1 LEU A 33 20.219 4.107 0.479 1.00 3.32 C ATOM 509 CD2 LEU A 33 21.776 5.830 -0.451 1.00 2.80 C ATOM 0 H LEU A 33 20.829 7.013 4.381 1.00 0.02 H new ATOM 0 HA LEU A 33 22.195 7.476 1.773 1.00 0.02 H new ATOM 0 HB2 LEU A 33 19.630 5.913 2.250 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.739 6.924 0.823 1.00 1.66 H new ATOM 0 HG LEU A 33 21.937 4.939 1.507 1.00 2.38 H new ATOM 0 HD11 LEU A 33 20.793 3.331 -0.027 1.00 3.32 H new ATOM 0 HD12 LEU A 33 19.779 3.698 1.388 1.00 3.32 H new ATOM 0 HD13 LEU A 33 19.427 4.460 -0.181 1.00 3.32 H new ATOM 0 HD21 LEU A 33 22.348 5.043 -0.943 1.00 2.80 H new ATOM 0 HD22 LEU A 33 20.990 6.179 -1.120 1.00 2.80 H new ATOM 0 HD23 LEU A 33 22.438 6.660 -0.205 1.00 2.80 H new ATOM 521 N SER A 34 21.063 9.708 1.841 1.00 0.02 N ATOM 522 CA SER A 34 20.438 11.057 1.932 1.00 0.02 C ATOM 523 C SER A 34 19.362 11.219 0.857 1.00 0.00 C ATOM 524 O SER A 34 18.592 12.159 0.877 1.00 0.01 O ATOM 525 CB SER A 34 21.515 12.125 1.733 1.00 0.02 C ATOM 526 OG SER A 34 20.904 13.409 1.707 1.00 0.02 O ATOM 0 H SER A 34 21.909 9.664 1.273 1.00 0.02 H new ATOM 0 HA SER A 34 19.977 11.169 2.913 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.247 12.074 2.539 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.053 11.947 0.802 1.00 0.02 H new ATOM 0 HG SER A 34 19.940 13.310 1.562 1.00 0.02 H new ATOM 532 N ARG A 35 19.299 10.315 -0.086 1.00 0.02 N ATOM 533 CA ARG A 35 18.279 10.410 -1.169 1.00 0.01 C ATOM 534 C ARG A 35 18.324 9.107 -1.981 1.00 0.02 C ATOM 535 O ARG A 35 19.289 8.373 -1.927 1.00 0.02 O ATOM 536 CB ARG A 35 18.606 11.608 -2.072 1.00 0.02 C ATOM 537 CG ARG A 35 17.351 12.048 -2.831 1.00 0.02 C ATOM 538 CD ARG A 35 17.683 13.245 -3.729 1.00 0.02 C ATOM 539 NE ARG A 35 16.426 13.955 -4.098 1.00 0.02 N ATOM 540 CZ ARG A 35 16.479 15.155 -4.606 1.00 0.02 C ATOM 541 NH1 ARG A 35 17.633 15.735 -4.791 1.00 0.00 N ATOM 542 NH2 ARG A 35 15.379 15.775 -4.932 1.00 0.02 N ATOM 0 H ARG A 35 19.918 9.507 -0.151 1.00 0.02 H new ATOM 0 HA ARG A 35 17.283 10.552 -0.749 1.00 0.01 H new ATOM 0 HB2 ARG A 35 18.986 12.434 -1.471 1.00 0.02 H new ATOM 0 HB3 ARG A 35 19.392 11.339 -2.777 1.00 0.02 H new ATOM 0 HG2 ARG A 35 16.971 11.223 -3.434 1.00 0.02 H new ATOM 0 HG3 ARG A 35 16.564 12.317 -2.127 1.00 0.02 H new ATOM 0 HD2 ARG A 35 18.358 13.925 -3.211 1.00 0.02 H new ATOM 0 HD3 ARG A 35 18.199 12.907 -4.628 1.00 0.02 H new ATOM 0 HE ARG A 35 15.524 13.502 -3.953 1.00 0.02 H new ATOM 0 HH11 ARG A 35 18.494 15.250 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 35 17.674 16.674 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.477 15.321 -4.790 1.00 0.02 H new ATOM 0 HH22 ARG A 35 15.421 16.714 -5.329 1.00 0.02 H new ATOM 556 N CYS A 36 17.298 8.809 -2.736 1.00 0.02 N ATOM 557 CA CYS A 36 17.295 7.552 -3.551 1.00 0.02 C ATOM 558 C CYS A 36 16.581 7.824 -4.880 1.00 0.02 C ATOM 559 O CYS A 36 15.413 8.159 -4.883 1.00 0.02 O ATOM 560 CB CYS A 36 16.550 6.460 -2.778 1.00 0.02 C ATOM 561 SG CYS A 36 16.136 5.100 -3.894 1.00 0.02 S ATOM 0 H CYS A 36 16.459 9.382 -2.825 1.00 0.02 H new ATOM 0 HA CYS A 36 18.317 7.226 -3.747 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.168 6.095 -1.958 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.642 6.869 -2.335 1.00 0.02 H new ATOM 0 HG CYS A 36 17.111 4.916 -4.734 1.00 0.02 H new ATOM 567 N ASN A 37 17.259 7.724 -6.011 1.00 0.02 N ATOM 568 CA ASN A 37 16.580 8.037 -7.320 1.00 0.01 C ATOM 569 C ASN A 37 16.360 6.779 -8.173 1.00 0.02 C ATOM 570 O ASN A 37 15.808 6.841 -9.255 1.00 0.02 O ATOM 571 CB ASN A 37 17.434 9.026 -8.115 1.00 0.02 C ATOM 572 CG ASN A 37 17.832 10.197 -7.214 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.760 10.100 -6.004 1.00 0.03 O ATOM 574 ND2 ASN A 37 18.251 11.310 -7.754 1.00 0.02 N ATOM 0 H ASN A 37 18.237 7.444 -6.083 1.00 0.02 H new ATOM 0 HA ASN A 37 15.605 8.465 -7.087 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.325 8.528 -8.497 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.878 9.391 -8.979 1.00 0.02 H new ATOM 0 HD21 ASN A 37 18.517 12.096 -7.161 1.00 0.02 H new ATOM 0 HD22 ASN A 37 18.312 11.393 -8.769 1.00 0.02 H new ATOM 581 N SER A 38 16.764 5.636 -7.687 1.00 0.02 N ATOM 582 CA SER A 38 16.557 4.368 -8.449 1.00 0.02 C ATOM 583 C SER A 38 16.545 3.212 -7.450 1.00 0.01 C ATOM 584 O SER A 38 17.106 3.306 -6.375 1.00 0.02 O ATOM 585 CB SER A 38 17.672 4.168 -9.478 1.00 0.01 C ATOM 586 OG SER A 38 17.662 2.819 -9.923 1.00 0.02 O ATOM 0 H SER A 38 17.232 5.525 -6.788 1.00 0.02 H new ATOM 0 HA SER A 38 15.612 4.410 -8.990 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.529 4.843 -10.322 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.638 4.410 -9.036 1.00 0.01 H new ATOM 0 HG SER A 38 16.757 2.575 -10.208 1.00 0.02 H new ATOM 592 N ILE A 39 15.884 2.128 -7.776 1.00 0.02 N ATOM 593 CA ILE A 39 15.810 0.983 -6.813 1.00 0.02 C ATOM 594 C ILE A 39 15.781 -0.355 -7.552 1.00 0.02 C ATOM 595 O ILE A 39 15.196 -0.501 -8.607 1.00 0.02 O ATOM 596 CB ILE A 39 14.516 1.107 -6.002 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.362 2.548 -5.510 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.567 0.161 -4.801 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.166 2.647 -4.560 1.00 0.00 C ATOM 0 H ILE A 39 15.396 1.986 -8.660 1.00 0.02 H new ATOM 0 HA ILE A 39 16.689 1.015 -6.169 1.00 0.02 H new ATOM 0 HB ILE A 39 13.667 0.842 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.271 2.867 -5.000 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.221 3.218 -6.358 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.645 0.252 -4.227 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.677 -0.866 -5.151 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.416 0.421 -4.168 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.061 3.675 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.259 2.347 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.325 1.990 -3.705 1.00 0.00 H new ATOM 611 N ARG A 40 16.369 -1.357 -6.947 1.00 0.02 N ATOM 612 CA ARG A 40 16.355 -2.733 -7.526 1.00 0.02 C ATOM 613 C ARG A 40 15.733 -3.667 -6.482 1.00 0.01 C ATOM 614 O ARG A 40 16.226 -3.775 -5.377 1.00 0.02 O ATOM 615 CB ARG A 40 17.774 -3.213 -7.853 1.00 0.01 C ATOM 616 CG ARG A 40 17.702 -4.445 -8.759 1.00 0.02 C ATOM 617 CD ARG A 40 19.120 -4.919 -9.087 1.00 0.02 C ATOM 618 NE ARG A 40 19.071 -5.889 -10.219 1.00 0.02 N ATOM 619 CZ ARG A 40 20.166 -6.195 -10.862 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.300 -5.654 -10.511 1.00 0.02 N ATOM 621 NH2 ARG A 40 20.126 -7.043 -11.854 1.00 0.02 N ATOM 0 H ARG A 40 16.867 -1.276 -6.060 1.00 0.02 H new ATOM 0 HA ARG A 40 15.782 -2.732 -8.453 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.333 -2.418 -8.346 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.308 -3.455 -6.934 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.146 -5.241 -8.265 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.166 -4.204 -9.677 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.748 -4.068 -9.351 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.570 -5.388 -8.212 1.00 0.02 H new ATOM 0 HE ARG A 40 18.184 -6.313 -10.491 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.331 -4.993 -9.735 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.156 -5.892 -11.012 1.00 0.02 H new ATOM 0 HH21 ARG A 40 19.239 -7.467 -12.127 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.981 -7.282 -12.356 1.00 0.02 H new ATOM 635 N VAL A 41 14.692 -4.379 -6.826 1.00 0.02 N ATOM 636 CA VAL A 41 14.088 -5.344 -5.856 1.00 0.01 C ATOM 637 C VAL A 41 14.498 -6.738 -6.310 1.00 0.02 C ATOM 638 O VAL A 41 14.119 -7.185 -7.373 1.00 0.02 O ATOM 639 CB VAL A 41 12.569 -5.196 -5.837 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.995 -6.086 -4.732 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.215 -3.740 -5.533 1.00 0.00 C ATOM 0 H VAL A 41 14.233 -4.335 -7.736 1.00 0.02 H new ATOM 0 HA VAL A 41 14.438 -5.155 -4.841 1.00 0.01 H new ATOM 0 HB VAL A 41 12.156 -5.487 -6.803 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.910 -5.986 -4.711 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.260 -7.125 -4.927 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.406 -5.781 -3.769 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.131 -3.625 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.624 -3.461 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.638 -3.094 -6.303 1.00 0.00 H new ATOM 651 N GLU A 42 15.297 -7.416 -5.524 1.00 0.01 N ATOM 652 CA GLU A 42 15.770 -8.770 -5.924 1.00 0.01 C ATOM 653 C GLU A 42 14.741 -9.821 -5.536 1.00 0.02 C ATOM 654 O GLU A 42 14.550 -10.793 -6.239 1.00 0.01 O ATOM 655 CB GLU A 42 17.102 -9.070 -5.232 1.00 0.99 C ATOM 656 CG GLU A 42 18.218 -8.253 -5.890 1.00 1.86 C ATOM 657 CD GLU A 42 18.547 -8.842 -7.264 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.200 -9.873 -7.305 1.00 3.67 O ATOM 659 OE2 GLU A 42 18.143 -8.251 -8.252 1.00 3.81 O ATOM 0 H GLU A 42 15.641 -7.087 -4.622 1.00 0.01 H new ATOM 0 HA GLU A 42 15.907 -8.795 -7.005 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.036 -8.826 -4.172 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.328 -10.134 -5.301 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.908 -7.213 -5.994 1.00 1.86 H new ATOM 0 HG3 GLU A 42 19.107 -8.259 -5.259 1.00 1.86 H new ATOM 666 N GLY A 43 14.066 -9.658 -4.433 1.00 0.01 N ATOM 667 CA GLY A 43 13.066 -10.692 -4.055 1.00 0.02 C ATOM 668 C GLY A 43 12.098 -10.149 -3.014 1.00 0.02 C ATOM 669 O GLY A 43 12.454 -9.300 -2.224 1.00 0.02 O ATOM 0 H GLY A 43 14.160 -8.872 -3.790 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.515 -11.012 -4.939 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.576 -11.571 -3.661 1.00 0.02 H new ATOM 673 N GLY A 44 10.892 -10.649 -3.005 1.00 0.00 N ATOM 674 CA GLY A 44 9.892 -10.183 -2.004 1.00 0.01 C ATOM 675 C GLY A 44 9.194 -8.912 -2.500 1.00 0.01 C ATOM 676 O GLY A 44 9.585 -8.312 -3.483 1.00 0.01 O ATOM 0 H GLY A 44 10.556 -11.363 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.154 -10.965 -1.826 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.385 -9.987 -1.052 1.00 0.01 H new ATOM 680 N THR A 45 8.180 -8.488 -1.790 1.00 0.01 N ATOM 681 CA THR A 45 7.443 -7.236 -2.155 1.00 0.00 C ATOM 682 C THR A 45 7.612 -6.248 -1.000 1.00 0.01 C ATOM 683 O THR A 45 7.524 -6.627 0.149 1.00 0.01 O ATOM 684 CB THR A 45 5.955 -7.566 -2.345 1.00 0.73 C ATOM 685 OG1 THR A 45 5.799 -8.370 -3.505 1.00 0.88 O ATOM 686 CG2 THR A 45 5.138 -6.280 -2.503 1.00 1.48 C ATOM 0 H THR A 45 7.825 -8.962 -0.960 1.00 0.01 H new ATOM 0 HA THR A 45 7.830 -6.808 -3.080 1.00 0.00 H new ATOM 0 HB THR A 45 5.596 -8.104 -1.467 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.851 -8.585 -3.629 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.086 -6.531 -2.637 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.253 -5.664 -1.611 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.493 -5.728 -3.374 1.00 1.48 H new ATOM 694 N TRP A 46 7.933 -5.004 -1.278 1.00 0.02 N ATOM 695 CA TRP A 46 8.186 -4.028 -0.163 1.00 0.01 C ATOM 696 C TRP A 46 7.334 -2.766 -0.295 1.00 0.01 C ATOM 697 O TRP A 46 6.954 -2.340 -1.366 1.00 0.01 O ATOM 698 CB TRP A 46 9.660 -3.623 -0.195 1.00 0.00 C ATOM 699 CG TRP A 46 10.513 -4.820 0.074 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.696 -5.852 -0.782 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.300 -5.127 1.260 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.547 -6.771 -0.196 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.946 -6.369 1.063 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.514 -4.452 2.475 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.775 -6.925 2.038 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.348 -5.008 3.460 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.976 -6.242 3.241 1.00 0.01 C ATOM 0 H TRP A 46 8.030 -4.624 -2.219 1.00 0.02 H new ATOM 0 HA TRP A 46 7.923 -4.516 0.775 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.910 -3.197 -1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.852 -2.852 0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.251 -5.943 -1.762 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.844 -7.640 -0.640 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.035 -3.501 2.652 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.258 -7.876 1.865 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.506 -4.482 4.390 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.615 -6.665 4.002 1.00 0.01 H new ATOM 718 N ALA A 47 7.097 -2.140 0.827 1.00 0.01 N ATOM 719 CA ALA A 47 6.344 -0.855 0.865 1.00 0.01 C ATOM 720 C ALA A 47 7.379 0.209 1.219 1.00 0.01 C ATOM 721 O ALA A 47 8.158 0.038 2.134 1.00 0.01 O ATOM 722 CB ALA A 47 5.249 -0.918 1.934 1.00 0.24 C ATOM 0 H ALA A 47 7.402 -2.476 1.741 1.00 0.01 H new ATOM 0 HA ALA A 47 5.852 -0.639 -0.083 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.705 0.026 1.953 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.560 -1.730 1.701 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.702 -1.096 2.909 1.00 0.24 H new ATOM 728 N VAL A 48 7.380 1.315 0.516 1.00 0.01 N ATOM 729 CA VAL A 48 8.356 2.410 0.822 1.00 0.02 C ATOM 730 C VAL A 48 7.596 3.650 1.283 1.00 0.01 C ATOM 731 O VAL A 48 6.540 3.962 0.763 1.00 0.01 O ATOM 732 CB VAL A 48 9.185 2.739 -0.423 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.975 1.501 -0.852 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.253 3.169 -1.559 1.00 0.65 C ATOM 0 H VAL A 48 6.746 1.508 -0.259 1.00 0.01 H new ATOM 0 HA VAL A 48 9.029 2.081 1.614 1.00 0.02 H new ATOM 0 HB VAL A 48 9.877 3.550 -0.194 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.565 1.735 -1.738 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.639 1.195 -0.044 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.284 0.689 -1.080 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.843 3.403 -2.445 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.561 2.359 -1.788 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.691 4.052 -1.254 1.00 0.65 H new ATOM 744 N TYR A 49 8.121 4.357 2.259 1.00 0.01 N ATOM 745 CA TYR A 49 7.436 5.581 2.776 1.00 0.01 C ATOM 746 C TYR A 49 8.348 6.792 2.595 1.00 0.01 C ATOM 747 O TYR A 49 9.558 6.715 2.719 1.00 0.02 O ATOM 748 CB TYR A 49 7.116 5.395 4.259 1.00 0.01 C ATOM 749 CG TYR A 49 6.208 4.197 4.431 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.720 2.904 4.274 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.857 4.379 4.756 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.883 1.794 4.440 1.00 0.01 C ATOM 753 CE2 TYR A 49 4.021 3.270 4.922 1.00 0.01 C ATOM 754 CZ TYR A 49 4.534 1.977 4.764 1.00 0.02 C ATOM 755 OH TYR A 49 3.710 0.883 4.930 1.00 0.01 O ATOM 0 H TYR A 49 9.002 4.134 2.721 1.00 0.01 H new ATOM 0 HA TYR A 49 6.511 5.742 2.223 1.00 0.01 H new ATOM 0 HB2 TYR A 49 8.036 5.252 4.826 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.634 6.290 4.653 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.761 2.762 4.025 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.461 5.376 4.878 1.00 0.01 H new ATOM 0 HE1 TYR A 49 6.278 0.796 4.318 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.980 3.411 5.172 1.00 0.01 H new ATOM 0 HH TYR A 49 3.057 0.852 4.200 1.00 0.01 H new ATOM 765 N GLU A 50 7.748 7.904 2.264 1.00 0.01 N ATOM 766 CA GLU A 50 8.514 9.156 2.003 1.00 0.01 C ATOM 767 C GLU A 50 9.215 9.668 3.263 1.00 0.01 C ATOM 768 O GLU A 50 10.277 10.252 3.174 1.00 0.02 O ATOM 769 CB GLU A 50 7.538 10.222 1.503 1.00 0.02 C ATOM 770 CG GLU A 50 8.322 11.414 0.950 1.00 0.01 C ATOM 771 CD GLU A 50 7.347 12.494 0.479 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.758 13.143 1.328 1.00 0.01 O ATOM 773 OE2 GLU A 50 7.205 12.654 -0.722 1.00 0.02 O ATOM 0 H GLU A 50 6.738 7.998 2.162 1.00 0.01 H new ATOM 0 HA GLU A 50 9.282 8.944 1.259 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.894 9.806 0.728 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.889 10.546 2.317 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.983 11.816 1.718 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.954 11.094 0.122 1.00 0.01 H new ATOM 780 N ARG A 51 8.635 9.494 4.431 1.00 0.02 N ATOM 781 CA ARG A 51 9.288 10.018 5.680 1.00 0.02 C ATOM 782 C ARG A 51 9.459 8.869 6.695 1.00 0.01 C ATOM 783 O ARG A 51 8.761 7.872 6.623 1.00 0.02 O ATOM 784 CB ARG A 51 8.367 11.111 6.274 1.00 0.02 C ATOM 785 CG ARG A 51 8.813 12.499 5.796 1.00 0.01 C ATOM 786 CD ARG A 51 7.854 13.558 6.342 1.00 0.02 C ATOM 787 NE ARG A 51 8.389 14.916 6.039 1.00 0.02 N ATOM 788 CZ ARG A 51 7.614 15.960 6.142 1.00 0.02 C ATOM 789 NH1 ARG A 51 6.368 15.816 6.507 1.00 0.02 N ATOM 790 NH2 ARG A 51 8.083 17.148 5.881 1.00 0.01 N ATOM 0 H ARG A 51 7.745 9.016 4.574 1.00 0.02 H new ATOM 0 HA ARG A 51 10.271 10.432 5.454 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.335 10.929 5.974 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.395 11.067 7.363 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.829 12.703 6.135 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.828 12.533 4.707 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.868 13.436 5.895 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.734 13.435 7.418 1.00 0.02 H new ATOM 0 HE ARG A 51 9.361 15.029 5.751 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.001 14.887 6.712 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.762 16.633 6.587 1.00 0.02 H new ATOM 0 HH21 ARG A 51 9.056 17.261 5.596 1.00 0.01 H new ATOM 0 HH22 ARG A 51 7.477 17.965 5.961 1.00 0.01 H new ATOM 804 N PRO A 52 10.384 9.009 7.635 1.00 0.02 N ATOM 805 CA PRO A 52 10.629 7.948 8.657 1.00 0.02 C ATOM 806 C PRO A 52 9.354 7.533 9.401 1.00 0.01 C ATOM 807 O PRO A 52 8.335 8.193 9.362 1.00 0.02 O ATOM 808 CB PRO A 52 11.651 8.616 9.606 1.00 0.02 C ATOM 809 CG PRO A 52 11.881 10.064 9.134 1.00 0.01 C ATOM 810 CD PRO A 52 11.247 10.224 7.745 1.00 0.01 C ATOM 0 HA PRO A 52 10.986 7.018 8.215 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.279 8.606 10.631 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.590 8.062 9.602 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.437 10.768 9.838 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.948 10.285 9.092 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.665 11.142 7.669 1.00 0.01 H new ATOM 0 HD3 PRO A 52 12.000 10.258 6.958 1.00 0.01 H new ATOM 818 N ASN A 53 9.452 6.439 10.107 1.00 0.02 N ATOM 819 CA ASN A 53 8.307 5.931 10.914 1.00 0.02 C ATOM 820 C ASN A 53 7.126 5.559 10.019 1.00 0.01 C ATOM 821 O ASN A 53 5.976 5.731 10.375 1.00 0.01 O ATOM 822 CB ASN A 53 7.883 7.008 11.920 1.00 0.01 C ATOM 823 CG ASN A 53 7.046 6.370 13.032 1.00 0.02 C ATOM 824 OD1 ASN A 53 5.863 6.628 13.141 1.00 0.02 O ATOM 825 ND2 ASN A 53 7.613 5.545 13.868 1.00 0.01 N ATOM 0 H ASN A 53 10.294 5.866 10.159 1.00 0.02 H new ATOM 0 HA ASN A 53 8.623 5.032 11.444 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.763 7.490 12.345 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.306 7.784 11.416 1.00 0.01 H new ATOM 0 HD21 ASN A 53 7.064 5.116 14.613 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.606 5.328 13.777 1.00 0.01 H new ATOM 832 N PHE A 54 7.413 5.024 8.862 1.00 0.02 N ATOM 833 CA PHE A 54 6.337 4.602 7.926 1.00 0.01 C ATOM 834 C PHE A 54 5.257 5.681 7.818 1.00 0.01 C ATOM 835 O PHE A 54 4.080 5.424 7.973 1.00 0.02 O ATOM 836 CB PHE A 54 5.724 3.291 8.432 1.00 1.78 C ATOM 837 CG PHE A 54 6.816 2.417 9.012 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.898 2.029 8.213 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.747 1.996 10.347 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.910 1.221 8.748 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.759 1.190 10.881 1.00 3.32 C ATOM 842 CZ PHE A 54 8.840 0.802 10.081 1.00 3.39 C ATOM 0 H PHE A 54 8.361 4.860 8.524 1.00 0.02 H new ATOM 0 HA PHE A 54 6.763 4.453 6.934 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.968 3.499 9.189 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.223 2.772 7.615 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.953 2.353 7.184 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.912 2.294 10.964 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.744 0.922 8.131 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.706 0.867 11.910 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.620 0.179 10.493 1.00 3.39 H new ATOM 852 N SER A 55 5.675 6.897 7.551 1.00 0.02 N ATOM 853 CA SER A 55 4.706 8.035 7.422 1.00 0.02 C ATOM 854 C SER A 55 4.908 8.744 6.079 1.00 0.01 C ATOM 855 O SER A 55 5.914 8.569 5.417 1.00 0.01 O ATOM 856 CB SER A 55 4.950 9.029 8.559 1.00 1.90 C ATOM 857 OG SER A 55 6.117 9.789 8.276 1.00 2.33 O ATOM 0 H SER A 55 6.653 7.152 7.416 1.00 0.02 H new ATOM 0 HA SER A 55 3.687 7.650 7.474 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.090 9.690 8.671 1.00 1.90 H new ATOM 0 HB3 SER A 55 5.068 8.497 9.503 1.00 1.90 H new ATOM 0 HG SER A 55 6.906 9.315 8.614 1.00 2.33 H new ATOM 863 N GLY A 56 3.949 9.535 5.663 1.00 0.02 N ATOM 864 CA GLY A 56 4.067 10.249 4.355 1.00 0.02 C ATOM 865 C GLY A 56 3.508 9.368 3.230 1.00 0.02 C ATOM 866 O GLY A 56 2.754 8.447 3.471 1.00 0.00 O ATOM 0 H GLY A 56 3.086 9.717 6.176 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.523 11.193 4.395 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.111 10.491 4.155 1.00 0.02 H new ATOM 870 N HIS A 57 3.849 9.657 2.001 1.00 0.02 N ATOM 871 CA HIS A 57 3.312 8.848 0.865 1.00 0.02 C ATOM 872 C HIS A 57 3.821 7.407 0.952 1.00 0.01 C ATOM 873 O HIS A 57 4.975 7.174 1.248 1.00 0.01 O ATOM 874 CB HIS A 57 3.763 9.473 -0.457 1.00 0.00 C ATOM 875 CG HIS A 57 3.635 10.969 -0.373 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.660 11.822 -0.749 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.607 11.780 0.043 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.232 13.084 -0.554 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.987 13.115 -0.072 1.00 0.01 N ATOM 0 H HIS A 57 4.475 10.417 1.734 1.00 0.02 H new ATOM 0 HA HIS A 57 2.223 8.839 0.917 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.796 9.197 -0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.156 9.091 -1.278 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.573 11.544 -1.108 1.00 0.01 H new ATOM 0 HD2 HIS A 57 1.650 11.435 0.404 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.823 13.963 -0.762 1.00 0.02 H new ATOM 887 N MET A 58 2.963 6.446 0.684 1.00 0.02 N ATOM 888 CA MET A 58 3.372 5.001 0.735 1.00 0.02 C ATOM 889 C MET A 58 3.179 4.362 -0.645 1.00 0.01 C ATOM 890 O MET A 58 2.184 4.581 -1.307 1.00 0.01 O ATOM 891 CB MET A 58 2.497 4.268 1.757 1.00 2.61 C ATOM 892 CG MET A 58 2.804 2.768 1.722 1.00 3.46 C ATOM 893 SD MET A 58 2.007 1.955 3.129 1.00 4.50 S ATOM 894 CE MET A 58 0.378 1.739 2.372 1.00 5.01 C ATOM 0 H MET A 58 1.988 6.603 0.430 1.00 0.02 H new ATOM 0 HA MET A 58 4.421 4.929 1.024 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.681 4.663 2.756 1.00 2.61 H new ATOM 0 HB3 MET A 58 1.443 4.438 1.536 1.00 2.61 H new ATOM 0 HG2 MET A 58 2.447 2.335 0.788 1.00 3.46 H new ATOM 0 HG3 MET A 58 3.881 2.606 1.757 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.289 1.246 3.079 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.032 2.713 2.106 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.472 1.127 1.475 1.00 5.01 H new ATOM 904 N TYR A 59 4.129 3.572 -1.079 1.00 0.02 N ATOM 905 CA TYR A 59 4.029 2.899 -2.420 1.00 0.01 C ATOM 906 C TYR A 59 4.436 1.424 -2.295 1.00 0.01 C ATOM 907 O TYR A 59 5.373 1.081 -1.604 1.00 0.02 O ATOM 908 CB TYR A 59 4.976 3.580 -3.405 1.00 0.01 C ATOM 909 CG TYR A 59 4.450 4.951 -3.751 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.563 5.107 -4.824 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.854 6.067 -3.008 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.080 6.380 -5.152 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.371 7.338 -3.337 1.00 0.01 C ATOM 914 CZ TYR A 59 3.484 7.495 -4.409 1.00 0.01 C ATOM 915 OH TYR A 59 3.008 8.748 -4.733 1.00 0.01 O ATOM 0 H TYR A 59 4.980 3.360 -0.559 1.00 0.02 H new ATOM 0 HA TYR A 59 3.001 2.972 -2.774 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.972 3.661 -2.970 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.071 2.978 -4.309 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.252 4.246 -5.398 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.538 5.947 -2.181 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.396 6.501 -5.979 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.682 8.199 -2.764 1.00 0.01 H new ATOM 0 HH TYR A 59 2.180 8.922 -4.238 1.00 0.01 H new ATOM 925 N ILE A 60 3.731 0.554 -2.980 1.00 0.02 N ATOM 926 CA ILE A 60 4.049 -0.910 -2.943 1.00 0.01 C ATOM 927 C ILE A 60 4.961 -1.248 -4.132 1.00 0.01 C ATOM 928 O ILE A 60 4.690 -0.859 -5.252 1.00 0.01 O ATOM 929 CB ILE A 60 2.748 -1.717 -3.061 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.659 -1.120 -2.149 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.008 -3.176 -2.676 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.083 -1.180 -0.675 1.00 1.72 C ATOM 0 H ILE A 60 2.937 0.800 -3.572 1.00 0.02 H new ATOM 0 HA ILE A 60 4.548 -1.158 -2.006 1.00 0.01 H new ATOM 0 HB ILE A 60 2.400 -1.672 -4.093 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.467 -0.086 -2.434 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.726 -1.666 -2.285 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.082 -3.745 -2.761 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.758 -3.600 -3.344 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.369 -3.222 -1.649 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.297 -0.752 -0.053 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.250 -2.218 -0.386 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.003 -0.612 -0.538 1.00 1.72 H new ATOM 944 N LEU A 61 6.055 -1.941 -3.893 1.00 0.01 N ATOM 945 CA LEU A 61 7.011 -2.276 -5.008 1.00 0.01 C ATOM 946 C LEU A 61 7.181 -3.817 -5.144 1.00 0.01 C ATOM 947 O LEU A 61 7.789 -4.436 -4.289 1.00 0.00 O ATOM 948 CB LEU A 61 8.388 -1.635 -4.667 1.00 0.01 C ATOM 949 CG LEU A 61 8.754 -0.539 -5.685 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.905 0.302 -5.136 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.195 -1.182 -7.004 1.00 0.01 C ATOM 0 H LEU A 61 6.328 -2.290 -2.974 1.00 0.01 H new ATOM 0 HA LEU A 61 6.623 -1.891 -5.951 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.356 -1.209 -3.664 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.160 -2.404 -4.662 1.00 0.01 H new ATOM 0 HG LEU A 61 7.882 0.091 -5.858 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.164 1.078 -5.856 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.602 0.765 -4.197 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.771 -0.336 -4.962 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.453 -0.402 -7.721 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.065 -1.815 -6.827 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.381 -1.787 -7.404 1.00 0.01 H new ATOM 963 N PRO A 62 6.696 -4.444 -6.212 1.00 0.02 N ATOM 964 CA PRO A 62 6.900 -5.911 -6.386 1.00 0.01 C ATOM 965 C PRO A 62 8.327 -6.203 -6.879 1.00 0.00 C ATOM 966 O PRO A 62 9.058 -5.304 -7.248 1.00 0.02 O ATOM 967 CB PRO A 62 5.849 -6.263 -7.452 1.00 1.47 C ATOM 968 CG PRO A 62 5.445 -4.958 -8.162 1.00 1.29 C ATOM 969 CD PRO A 62 5.915 -3.771 -7.296 1.00 0.82 C ATOM 0 HA PRO A 62 6.790 -6.489 -5.468 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.255 -6.978 -8.168 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.980 -6.732 -6.991 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.898 -4.908 -9.152 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.365 -4.921 -8.303 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.530 -3.073 -7.865 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.075 -3.203 -6.897 1.00 0.82 H new ATOM 977 N GLN A 63 8.735 -7.445 -6.881 1.00 0.02 N ATOM 978 CA GLN A 63 10.116 -7.784 -7.341 1.00 0.00 C ATOM 979 C GLN A 63 10.376 -7.209 -8.738 1.00 0.00 C ATOM 980 O GLN A 63 9.509 -7.223 -9.589 1.00 0.02 O ATOM 981 CB GLN A 63 10.266 -9.306 -7.392 1.00 1.27 C ATOM 982 CG GLN A 63 9.232 -9.888 -8.358 1.00 1.67 C ATOM 983 CD GLN A 63 9.210 -11.413 -8.234 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.031 -12.002 -7.407 1.00 4.25 O flip ATOM 985 NE2 GLN A 63 8.435 -12.075 -8.893 1.00 3.04 N flip ATOM 0 H GLN A 63 8.171 -8.241 -6.584 1.00 0.02 H new ATOM 0 HA GLN A 63 10.835 -7.354 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.272 -9.572 -7.716 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.129 -9.729 -6.397 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.245 -9.481 -8.137 1.00 1.67 H new ATOM 0 HG3 GLN A 63 9.474 -9.600 -9.381 1.00 1.67 H new ATOM 0 HE21 GLN A 63 7.793 -11.616 -9.539 1.00 3.04 H new ATOM 0 HE22 GLN A 63 8.425 -13.091 -8.801 1.00 3.04 H new ATOM 994 N GLY A 64 11.563 -6.707 -8.992 1.00 0.02 N ATOM 995 CA GLY A 64 11.850 -6.149 -10.349 1.00 0.01 C ATOM 996 C GLY A 64 12.969 -5.103 -10.283 1.00 0.02 C ATOM 997 O GLY A 64 13.545 -4.850 -9.243 1.00 0.02 O ATOM 0 H GLY A 64 12.335 -6.661 -8.327 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.138 -6.954 -11.025 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.947 -5.697 -10.759 1.00 0.01 H new ATOM 1001 N GLU A 65 13.280 -4.498 -11.403 1.00 0.02 N ATOM 1002 CA GLU A 65 14.365 -3.463 -11.447 1.00 0.02 C ATOM 1003 C GLU A 65 13.782 -2.125 -11.906 1.00 0.02 C ATOM 1004 O GLU A 65 13.090 -2.040 -12.900 1.00 0.02 O ATOM 1005 CB GLU A 65 15.436 -3.909 -12.444 1.00 0.77 C ATOM 1006 CG GLU A 65 16.559 -2.873 -12.489 1.00 0.49 C ATOM 1007 CD GLU A 65 17.767 -3.458 -13.224 1.00 0.67 C ATOM 1008 OE1 GLU A 65 18.541 -4.154 -12.589 1.00 0.96 O ATOM 1009 OE2 GLU A 65 17.897 -3.200 -14.409 1.00 0.71 O ATOM 0 H GLU A 65 12.825 -4.677 -12.298 1.00 0.02 H new ATOM 0 HA GLU A 65 14.800 -3.348 -10.454 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.836 -4.881 -12.153 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.998 -4.028 -13.435 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.215 -1.971 -12.994 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.841 -2.584 -11.477 1.00 0.49 H new ATOM 1016 N TYR A 66 14.084 -1.073 -11.182 1.00 0.02 N ATOM 1017 CA TYR A 66 13.591 0.289 -11.542 1.00 0.02 C ATOM 1018 C TYR A 66 14.819 1.197 -11.742 1.00 0.02 C ATOM 1019 O TYR A 66 15.373 1.687 -10.774 1.00 0.02 O ATOM 1020 CB TYR A 66 12.748 0.816 -10.380 1.00 0.01 C ATOM 1021 CG TYR A 66 11.554 -0.089 -10.196 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.694 -1.297 -9.506 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.310 0.275 -10.724 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.591 -2.143 -9.343 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.206 -0.571 -10.563 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.346 -1.779 -9.872 1.00 0.02 C ATOM 1027 OH TYR A 66 8.258 -2.612 -9.711 1.00 0.01 O ATOM 0 H TYR A 66 14.662 -1.105 -10.342 1.00 0.02 H new ATOM 0 HA TYR A 66 12.990 0.266 -12.451 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.342 0.848 -9.467 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.421 1.836 -10.583 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.654 -1.577 -9.098 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.202 1.209 -11.256 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.700 -3.076 -8.810 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.247 -0.291 -10.972 1.00 0.02 H new ATOM 0 HH TYR A 66 7.472 -2.210 -10.137 1.00 0.01 H new ATOM 1037 N PRO A 67 15.271 1.408 -12.970 1.00 0.01 N ATOM 1038 CA PRO A 67 16.477 2.253 -13.204 1.00 0.02 C ATOM 1039 C PRO A 67 16.250 3.747 -12.925 1.00 0.02 C ATOM 1040 O PRO A 67 17.172 4.534 -12.995 1.00 0.02 O ATOM 1041 CB PRO A 67 16.792 1.996 -14.693 1.00 0.02 C ATOM 1042 CG PRO A 67 15.629 1.188 -15.309 1.00 0.02 C ATOM 1043 CD PRO A 67 14.634 0.827 -14.190 1.00 0.01 C ATOM 0 HA PRO A 67 17.291 1.994 -12.527 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.918 2.941 -15.222 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.729 1.447 -14.793 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.132 1.772 -16.084 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.007 0.283 -15.785 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.649 1.255 -14.373 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.501 -0.251 -14.101 1.00 0.01 H new ATOM 1051 N GLU A 68 15.054 4.154 -12.592 1.00 0.01 N ATOM 1052 CA GLU A 68 14.823 5.598 -12.298 1.00 0.01 C ATOM 1053 C GLU A 68 13.576 5.709 -11.421 1.00 0.03 C ATOM 1054 O GLU A 68 12.721 4.848 -11.413 1.00 0.02 O ATOM 1055 CB GLU A 68 14.590 6.374 -13.600 1.00 0.69 C ATOM 1056 CG GLU A 68 15.890 6.445 -14.405 1.00 1.09 C ATOM 1057 CD GLU A 68 15.754 7.502 -15.503 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.201 8.552 -15.221 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.206 7.244 -16.606 1.00 2.02 O ATOM 0 H GLU A 68 14.233 3.554 -12.511 1.00 0.01 H new ATOM 0 HA GLU A 68 15.694 6.015 -11.792 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.813 5.887 -14.190 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.236 7.380 -13.375 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.724 6.693 -13.748 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.110 5.473 -14.847 1.00 1.09 H new ATOM 1066 N TYR A 69 13.498 6.756 -10.650 1.00 0.02 N ATOM 1067 CA TYR A 69 12.350 6.916 -9.719 1.00 0.02 C ATOM 1068 C TYR A 69 11.015 6.954 -10.466 1.00 0.01 C ATOM 1069 O TYR A 69 10.026 6.413 -10.014 1.00 0.01 O ATOM 1070 CB TYR A 69 12.542 8.186 -8.883 1.00 0.02 C ATOM 1071 CG TYR A 69 12.543 9.399 -9.784 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.703 9.750 -10.485 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.385 10.176 -9.915 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.705 10.877 -11.316 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.386 11.302 -10.745 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.547 11.653 -11.447 1.00 0.02 C ATOM 1077 OH TYR A 69 12.550 12.762 -12.266 1.00 0.01 O ATOM 0 H TYR A 69 14.184 7.511 -10.625 1.00 0.02 H new ATOM 0 HA TYR A 69 12.321 6.050 -9.058 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.744 8.271 -8.145 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.481 8.131 -8.332 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.596 9.151 -10.385 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.490 9.905 -9.374 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.600 11.148 -11.856 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.493 11.900 -10.845 1.00 0.02 H new ATOM 0 HH TYR A 69 11.667 13.187 -12.244 1.00 0.01 H new ATOM 1087 N GLN A 70 10.975 7.593 -11.605 1.00 0.01 N ATOM 1088 CA GLN A 70 9.707 7.666 -12.383 1.00 0.02 C ATOM 1089 C GLN A 70 9.237 6.257 -12.766 1.00 0.01 C ATOM 1090 O GLN A 70 8.069 6.014 -12.980 1.00 0.02 O ATOM 1091 CB GLN A 70 9.948 8.472 -13.661 1.00 0.01 C ATOM 1092 CG GLN A 70 10.586 9.816 -13.306 1.00 0.01 C ATOM 1093 CD GLN A 70 10.886 10.594 -14.588 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.082 11.387 -15.034 1.00 0.01 O ATOM 1095 NE2 GLN A 70 12.021 10.398 -15.204 1.00 0.02 N ATOM 0 H GLN A 70 11.770 8.069 -12.031 1.00 0.01 H new ATOM 0 HA GLN A 70 8.943 8.145 -11.771 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.598 7.916 -14.337 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.006 8.632 -14.185 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.916 10.391 -12.668 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.505 9.656 -12.742 1.00 0.01 H new ATOM 0 HE21 GLN A 70 12.696 9.732 -14.829 1.00 0.02 H new ATOM 0 HE22 GLN A 70 12.232 10.911 -16.060 1.00 0.02 H new ATOM 1104 N ARG A 71 10.150 5.321 -12.836 1.00 0.01 N ATOM 1105 CA ARG A 71 9.757 3.926 -13.193 1.00 0.02 C ATOM 1106 C ARG A 71 8.933 3.331 -12.050 1.00 0.01 C ATOM 1107 O ARG A 71 8.235 2.349 -12.208 1.00 0.02 O ATOM 1108 CB ARG A 71 11.012 3.077 -13.427 1.00 0.34 C ATOM 1109 CG ARG A 71 10.646 1.783 -14.181 1.00 0.72 C ATOM 1110 CD ARG A 71 10.639 2.030 -15.694 1.00 1.04 C ATOM 1111 NE ARG A 71 10.403 0.742 -16.404 1.00 1.67 N ATOM 1112 CZ ARG A 71 10.068 0.742 -17.665 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.944 1.871 -18.307 1.00 2.54 N ATOM 1114 NH2 ARG A 71 9.858 -0.387 -18.284 1.00 3.42 N ATOM 0 H ARG A 71 11.145 5.462 -12.662 1.00 0.01 H new ATOM 0 HA ARG A 71 9.162 3.935 -14.106 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.743 3.646 -14.001 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.477 2.831 -12.472 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.362 0.998 -13.938 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.666 1.432 -13.859 1.00 0.72 H new ATOM 0 HD2 ARG A 71 9.861 2.749 -15.953 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.589 2.462 -16.008 1.00 1.04 H new ATOM 0 HE ARG A 71 10.503 -0.141 -15.904 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.109 2.754 -17.823 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.682 1.871 -19.293 1.00 2.54 H new ATOM 0 HH21 ARG A 71 9.956 -1.270 -17.782 1.00 3.42 H new ATOM 0 HH22 ARG A 71 9.596 -0.387 -19.270 1.00 3.42 H new ATOM 1128 N TRP A 72 9.026 3.934 -10.896 1.00 0.02 N ATOM 1129 CA TRP A 72 8.276 3.449 -9.699 1.00 0.01 C ATOM 1130 C TRP A 72 7.152 4.457 -9.410 1.00 0.01 C ATOM 1131 O TRP A 72 6.510 4.427 -8.379 1.00 0.02 O ATOM 1132 CB TRP A 72 9.292 3.347 -8.534 1.00 0.02 C ATOM 1133 CG TRP A 72 8.667 3.632 -7.204 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.695 2.894 -6.623 1.00 0.01 C ATOM 1135 CD2 TRP A 72 8.968 4.716 -6.280 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.380 3.458 -5.400 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.135 4.584 -5.145 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.874 5.792 -6.316 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.199 5.486 -4.083 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 9.940 6.702 -5.249 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.103 6.549 -4.135 1.00 0.02 C ATOM 0 H TRP A 72 9.602 4.759 -10.728 1.00 0.02 H new ATOM 0 HA TRP A 72 7.819 2.470 -9.847 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.727 2.347 -8.521 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.109 4.048 -8.706 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.240 2.010 -7.044 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.675 3.086 -4.764 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.523 5.919 -7.170 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.553 5.363 -3.226 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.639 7.524 -5.287 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.157 7.253 -3.318 1.00 0.02 H new ATOM 1152 N MET A 73 6.916 5.347 -10.334 1.00 0.02 N ATOM 1153 CA MET A 73 5.847 6.372 -10.155 1.00 0.02 C ATOM 1154 C MET A 73 6.146 7.245 -8.929 1.00 0.01 C ATOM 1155 O MET A 73 5.268 7.857 -8.355 1.00 0.02 O ATOM 1156 CB MET A 73 4.492 5.679 -9.974 1.00 0.02 C ATOM 1157 CG MET A 73 4.367 4.529 -10.975 1.00 0.01 C ATOM 1158 SD MET A 73 2.636 4.008 -11.082 1.00 0.01 S ATOM 1159 CE MET A 73 2.141 5.132 -12.411 1.00 0.01 C ATOM 0 H MET A 73 7.424 5.409 -11.216 1.00 0.02 H new ATOM 0 HA MET A 73 5.817 7.006 -11.041 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.399 5.300 -8.956 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.683 6.394 -10.123 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.724 4.845 -11.955 1.00 0.01 H new ATOM 0 HG3 MET A 73 4.991 3.692 -10.663 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.087 4.979 -12.643 1.00 0.01 H new ATOM 0 HE2 MET A 73 2.296 6.163 -12.092 1.00 0.01 H new ATOM 0 HE3 MET A 73 2.741 4.932 -13.299 1.00 0.01 H new ATOM 1169 N GLY A 74 7.390 7.299 -8.528 1.00 0.02 N ATOM 1170 CA GLY A 74 7.760 8.123 -7.346 1.00 0.02 C ATOM 1171 C GLY A 74 7.401 9.584 -7.607 1.00 0.01 C ATOM 1172 O GLY A 74 7.538 10.077 -8.710 1.00 0.01 O ATOM 0 H GLY A 74 8.165 6.806 -8.971 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.237 7.762 -6.460 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.827 8.031 -7.145 1.00 0.02 H new ATOM 1176 N LEU A 75 6.984 10.297 -6.596 1.00 0.02 N ATOM 1177 CA LEU A 75 6.669 11.740 -6.791 1.00 0.02 C ATOM 1178 C LEU A 75 7.993 12.516 -6.780 1.00 0.01 C ATOM 1179 O LEU A 75 8.146 13.521 -7.443 1.00 0.02 O ATOM 1180 CB LEU A 75 5.751 12.231 -5.667 1.00 0.55 C ATOM 1181 CG LEU A 75 4.669 11.186 -5.396 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.703 11.717 -4.333 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.897 10.901 -6.688 1.00 0.42 C ATOM 0 H LEU A 75 6.849 9.945 -5.648 1.00 0.02 H new ATOM 0 HA LEU A 75 6.153 11.895 -7.738 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.331 12.411 -4.762 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.293 13.180 -5.946 1.00 0.55 H new ATOM 0 HG LEU A 75 5.134 10.266 -5.040 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.931 10.973 -4.139 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.251 11.920 -3.413 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.239 12.637 -4.690 1.00 0.98 H new ATOM 0 HD21 LEU A 75 3.126 10.156 -6.494 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.432 11.820 -7.044 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.583 10.524 -7.446 1.00 0.42 H new ATOM 1195 N ASN A 76 8.962 12.027 -6.046 1.00 0.01 N ATOM 1196 CA ASN A 76 10.301 12.670 -5.982 1.00 0.02 C ATOM 1197 C ASN A 76 11.286 11.580 -5.552 1.00 0.02 C ATOM 1198 O ASN A 76 10.930 10.419 -5.501 1.00 0.02 O ATOM 1199 CB ASN A 76 10.287 13.810 -4.962 1.00 0.02 C ATOM 1200 CG ASN A 76 9.613 13.334 -3.673 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.883 12.248 -3.197 1.00 0.01 O ATOM 1202 ND2 ASN A 76 8.739 14.104 -3.087 1.00 0.02 N ATOM 0 H ASN A 76 8.873 11.186 -5.475 1.00 0.01 H new ATOM 0 HA ASN A 76 10.584 13.095 -6.945 1.00 0.02 H new ATOM 0 HB2 ASN A 76 11.305 14.137 -4.753 1.00 0.02 H new ATOM 0 HB3 ASN A 76 9.753 14.669 -5.368 1.00 0.02 H new ATOM 0 HD21 ASN A 76 8.282 13.796 -2.229 1.00 0.02 H new ATOM 0 HD22 ASN A 76 8.513 15.015 -3.486 1.00 0.02 H new ATOM 1209 N ASP A 77 12.515 11.916 -5.258 1.00 0.01 N ATOM 1210 CA ASP A 77 13.502 10.862 -4.855 1.00 0.01 C ATOM 1211 C ASP A 77 13.637 10.802 -3.328 1.00 0.01 C ATOM 1212 O ASP A 77 14.681 10.450 -2.811 1.00 0.01 O ATOM 1213 CB ASP A 77 14.864 11.202 -5.463 1.00 0.01 C ATOM 1214 CG ASP A 77 14.761 11.182 -6.990 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.000 10.378 -7.501 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.445 11.972 -7.619 1.00 0.01 O ATOM 0 H ASP A 77 12.880 12.868 -5.278 1.00 0.01 H new ATOM 0 HA ASP A 77 13.153 9.894 -5.214 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.191 12.185 -5.123 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.613 10.484 -5.129 1.00 0.01 H new ATOM 1221 N ARG A 78 12.610 11.161 -2.593 1.00 0.01 N ATOM 1222 CA ARG A 78 12.714 11.141 -1.096 1.00 0.01 C ATOM 1223 C ARG A 78 12.137 9.842 -0.516 1.00 0.02 C ATOM 1224 O ARG A 78 10.984 9.515 -0.719 1.00 0.02 O ATOM 1225 CB ARG A 78 11.960 12.342 -0.523 1.00 0.43 C ATOM 1226 CG ARG A 78 12.030 12.307 1.004 1.00 0.80 C ATOM 1227 CD ARG A 78 11.534 13.640 1.569 1.00 1.00 C ATOM 1228 NE ARG A 78 12.447 14.735 1.132 1.00 1.30 N ATOM 1229 CZ ARG A 78 12.071 15.980 1.239 1.00 2.30 C ATOM 1230 NH1 ARG A 78 10.896 16.268 1.727 1.00 2.72 N ATOM 1231 NH2 ARG A 78 12.871 16.938 0.856 1.00 3.20 N ATOM 0 H ARG A 78 11.709 11.465 -2.961 1.00 0.01 H new ATOM 0 HA ARG A 78 13.767 11.194 -0.821 1.00 0.01 H new ATOM 0 HB2 ARG A 78 12.394 13.269 -0.896 1.00 0.43 H new ATOM 0 HB3 ARG A 78 10.921 12.322 -0.851 1.00 0.43 H new ATOM 0 HG2 ARG A 78 11.421 11.488 1.388 1.00 0.80 H new ATOM 0 HG3 ARG A 78 13.054 12.121 1.327 1.00 0.80 H new ATOM 0 HD2 ARG A 78 10.519 13.839 1.224 1.00 1.00 H new ATOM 0 HD3 ARG A 78 11.497 13.595 2.657 1.00 1.00 H new ATOM 0 HE ARG A 78 13.366 14.511 0.749 1.00 1.30 H new ATOM 0 HH11 ARG A 78 10.270 15.520 2.025 1.00 2.72 H new ATOM 0 HH12 ARG A 78 10.603 17.241 1.810 1.00 2.72 H new ATOM 0 HH21 ARG A 78 13.789 16.713 0.473 1.00 3.20 H new ATOM 0 HH22 ARG A 78 12.578 17.911 0.939 1.00 3.20 H new ATOM 1245 N LEU A 79 12.932 9.114 0.228 1.00 0.01 N ATOM 1246 CA LEU A 79 12.455 7.846 0.866 1.00 0.01 C ATOM 1247 C LEU A 79 13.096 7.746 2.253 1.00 0.01 C ATOM 1248 O LEU A 79 14.304 7.755 2.380 1.00 0.02 O ATOM 1249 CB LEU A 79 12.893 6.648 0.018 1.00 1.04 C ATOM 1250 CG LEU A 79 12.080 6.601 -1.282 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.629 5.485 -2.175 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.588 6.341 -0.977 1.00 2.61 C ATOM 0 H LEU A 79 13.906 9.347 0.424 1.00 0.01 H new ATOM 0 HA LEU A 79 11.368 7.847 0.944 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.956 6.723 -0.211 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.752 5.724 0.579 1.00 1.04 H new ATOM 0 HG LEU A 79 12.165 7.560 -1.793 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.056 5.445 -3.101 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.676 5.684 -2.404 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.546 4.530 -1.656 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.026 6.311 -1.910 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.483 5.388 -0.459 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.201 7.141 -0.346 1.00 2.61 H new ATOM 1264 N GLY A 80 12.302 7.697 3.299 1.00 0.02 N ATOM 1265 CA GLY A 80 12.868 7.651 4.687 1.00 0.02 C ATOM 1266 C GLY A 80 12.661 6.290 5.364 1.00 0.02 C ATOM 1267 O GLY A 80 13.331 5.982 6.332 1.00 0.01 O ATOM 0 H GLY A 80 11.283 7.687 3.250 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.934 7.875 4.648 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.401 8.428 5.292 1.00 0.02 H new ATOM 1271 N SER A 81 11.757 5.460 4.900 1.00 0.01 N ATOM 1272 CA SER A 81 11.567 4.142 5.591 1.00 0.01 C ATOM 1273 C SER A 81 10.969 3.106 4.643 1.00 0.02 C ATOM 1274 O SER A 81 10.317 3.428 3.668 1.00 0.01 O ATOM 1275 CB SER A 81 10.632 4.331 6.783 1.00 0.01 C ATOM 1276 OG SER A 81 10.207 3.060 7.254 1.00 0.01 O ATOM 0 H SER A 81 11.156 5.630 4.094 1.00 0.01 H new ATOM 0 HA SER A 81 12.541 3.783 5.925 1.00 0.01 H new ATOM 0 HB2 SER A 81 11.143 4.874 7.578 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.770 4.930 6.492 1.00 0.01 H new ATOM 0 HG SER A 81 9.374 3.160 7.760 1.00 0.01 H new ATOM 1282 N CYS A 82 11.191 1.846 4.934 1.00 0.02 N ATOM 1283 CA CYS A 82 10.644 0.761 4.063 1.00 0.01 C ATOM 1284 C CYS A 82 10.268 -0.462 4.908 1.00 0.01 C ATOM 1285 O CYS A 82 10.890 -0.758 5.909 1.00 0.01 O ATOM 1286 CB CYS A 82 11.695 0.361 3.028 1.00 0.01 C ATOM 1287 SG CYS A 82 13.125 -0.360 3.870 1.00 0.02 S ATOM 0 H CYS A 82 11.728 1.523 5.739 1.00 0.02 H new ATOM 0 HA CYS A 82 9.751 1.130 3.559 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.273 -0.357 2.324 1.00 0.01 H new ATOM 0 HB3 CYS A 82 12.001 1.232 2.449 1.00 0.01 H new ATOM 0 HG CYS A 82 12.783 -0.726 5.070 1.00 0.02 H new ATOM 1293 N ARG A 83 9.256 -1.182 4.494 1.00 0.01 N ATOM 1294 CA ARG A 83 8.822 -2.403 5.247 1.00 0.01 C ATOM 1295 C ARG A 83 8.522 -3.524 4.253 1.00 0.01 C ATOM 1296 O ARG A 83 7.986 -3.299 3.186 1.00 0.01 O ATOM 1297 CB ARG A 83 7.534 -2.103 6.019 1.00 0.01 C ATOM 1298 CG ARG A 83 7.822 -1.100 7.139 1.00 0.01 C ATOM 1299 CD ARG A 83 6.654 -1.092 8.128 1.00 0.01 C ATOM 1300 NE ARG A 83 5.369 -0.998 7.379 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.244 -1.275 7.980 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.245 -1.633 9.235 1.00 0.01 N ATOM 1303 NH2 ARG A 83 3.118 -1.190 7.327 1.00 0.01 N ATOM 0 H ARG A 83 8.706 -0.976 3.660 1.00 0.01 H new ATOM 0 HA ARG A 83 9.615 -2.697 5.935 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.780 -1.700 5.343 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.128 -3.023 6.438 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.746 -1.367 7.652 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.966 -0.103 6.721 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.669 -1.999 8.733 1.00 0.01 H new ATOM 0 HD3 ARG A 83 6.750 -0.250 8.814 1.00 0.01 H new ATOM 0 HE ARG A 83 5.369 -0.718 6.398 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.125 -1.696 9.747 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.366 -1.849 9.704 1.00 0.01 H new ATOM 0 HH21 ARG A 83 3.117 -0.907 6.347 1.00 0.01 H new ATOM 0 HH22 ARG A 83 2.239 -1.406 7.796 1.00 0.01 H new ATOM 1317 N ALA A 84 8.865 -4.738 4.594 1.00 0.01 N ATOM 1318 CA ALA A 84 8.602 -5.874 3.671 1.00 0.01 C ATOM 1319 C ALA A 84 7.128 -6.273 3.767 1.00 0.01 C ATOM 1320 O ALA A 84 6.586 -6.458 4.839 1.00 0.00 O ATOM 1321 CB ALA A 84 9.470 -7.071 4.068 1.00 0.43 C ATOM 0 H ALA A 84 9.316 -4.989 5.473 1.00 0.01 H new ATOM 0 HA ALA A 84 8.840 -5.572 2.651 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.275 -7.902 3.390 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.522 -6.793 4.009 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.231 -7.371 5.088 1.00 0.43 H new ATOM 1327 N VAL A 85 6.489 -6.426 2.641 1.00 0.01 N ATOM 1328 CA VAL A 85 5.058 -6.837 2.630 1.00 0.01 C ATOM 1329 C VAL A 85 4.982 -8.361 2.572 1.00 0.01 C ATOM 1330 O VAL A 85 5.533 -8.979 1.683 1.00 0.01 O ATOM 1331 CB VAL A 85 4.361 -6.247 1.406 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.853 -6.473 1.521 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.645 -4.745 1.331 1.00 1.12 C ATOM 0 H VAL A 85 6.901 -6.282 1.719 1.00 0.01 H new ATOM 0 HA VAL A 85 4.565 -6.473 3.532 1.00 0.01 H new ATOM 0 HB VAL A 85 4.735 -6.734 0.505 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.354 -6.052 0.648 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.648 -7.542 1.576 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.480 -5.986 2.422 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.148 -4.324 0.457 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.270 -4.258 2.232 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.720 -4.581 1.251 1.00 1.12 H new ATOM 1343 N HIS A 86 4.302 -8.981 3.497 1.00 0.01 N ATOM 1344 CA HIS A 86 4.195 -10.468 3.467 1.00 0.01 C ATOM 1345 C HIS A 86 2.935 -10.849 2.698 1.00 0.01 C ATOM 1346 O HIS A 86 1.864 -10.328 2.940 1.00 0.00 O ATOM 1347 CB HIS A 86 4.091 -11.003 4.898 1.00 0.21 C ATOM 1348 CG HIS A 86 5.271 -10.525 5.699 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.576 -10.831 5.347 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.358 -9.762 6.836 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.385 -10.258 6.256 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.695 -9.594 7.186 1.00 1.71 N ATOM 0 H HIS A 86 3.817 -8.525 4.270 1.00 0.01 H new ATOM 0 HA HIS A 86 5.075 -10.894 2.985 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.163 -10.663 5.358 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.061 -12.093 4.889 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.517 -9.354 7.377 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.463 -10.327 6.236 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.067 -9.075 7.982 1.00 1.71 H new ATOM 1360 N LEU A 87 3.055 -11.760 1.768 1.00 0.01 N ATOM 1361 CA LEU A 87 1.872 -12.189 0.969 1.00 0.01 C ATOM 1362 C LEU A 87 1.304 -13.459 1.603 1.00 0.01 C ATOM 1363 O LEU A 87 2.040 -14.344 1.995 1.00 0.01 O ATOM 1364 CB LEU A 87 2.318 -12.486 -0.478 1.00 0.67 C ATOM 1365 CG LEU A 87 3.485 -11.574 -0.873 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.846 -11.827 -2.339 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.087 -10.103 -0.690 1.00 1.34 C ATOM 0 H LEU A 87 3.929 -12.228 1.527 1.00 0.01 H new ATOM 0 HA LEU A 87 1.114 -11.406 0.955 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.618 -13.530 -0.566 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.482 -12.335 -1.161 1.00 0.67 H new ATOM 0 HG LEU A 87 4.344 -11.791 -0.238 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.676 -11.181 -2.626 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.137 -12.870 -2.467 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.983 -11.611 -2.969 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.922 -9.462 -0.973 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.227 -9.878 -1.320 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.829 -9.923 0.354 1.00 1.34 H new ATOM 1379 N SER A 88 0.002 -13.570 1.684 1.00 0.01 N ATOM 1380 CA SER A 88 -0.633 -14.793 2.264 1.00 0.01 C ATOM 1381 C SER A 88 -1.336 -15.562 1.148 1.00 0.01 C ATOM 1382 O SER A 88 -2.182 -15.010 0.472 1.00 0.01 O ATOM 1383 CB SER A 88 -1.661 -14.390 3.321 1.00 0.81 C ATOM 1384 OG SER A 88 -2.507 -15.498 3.599 1.00 1.08 O ATOM 0 H SER A 88 -0.656 -12.857 1.369 1.00 0.01 H new ATOM 0 HA SER A 88 0.132 -15.417 2.726 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.156 -14.066 4.231 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.253 -13.546 2.967 1.00 0.81 H new ATOM 0 HG SER A 88 -3.167 -15.244 4.278 1.00 1.08 H new ATOM 1390 N SER A 89 -1.065 -16.829 0.967 1.00 0.01 N ATOM 1391 CA SER A 89 -1.800 -17.604 -0.081 1.00 0.01 C ATOM 1392 C SER A 89 -2.835 -18.445 0.659 1.00 0.01 C ATOM 1393 O SER A 89 -3.214 -18.096 1.760 1.00 0.01 O ATOM 1394 CB SER A 89 -0.828 -18.517 -0.830 1.00 0.43 C ATOM 1395 OG SER A 89 0.232 -17.736 -1.366 1.00 1.26 O ATOM 0 H SER A 89 -0.372 -17.359 1.495 1.00 0.01 H new ATOM 0 HA SER A 89 -2.269 -16.944 -0.810 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.431 -19.276 -0.156 1.00 0.43 H new ATOM 0 HB3 SER A 89 -1.348 -19.043 -1.631 1.00 0.43 H new ATOM 0 HG SER A 89 0.858 -18.319 -1.845 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.279 -19.557 0.125 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.262 -20.402 0.875 1.00 0.00 C ATOM 1403 C GLY A 90 -5.392 -20.908 -0.022 1.00 0.00 C ATOM 1404 O GLY A 90 -5.678 -22.088 -0.048 1.00 0.01 O ATOM 0 H GLY A 90 -3.006 -19.914 -0.791 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.744 -21.252 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.684 -19.823 1.696 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.040 -20.050 -0.769 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.132 -20.547 -1.648 1.00 0.00 C ATOM 1410 C GLY A 91 -7.809 -19.410 -2.426 1.00 0.00 C ATOM 1411 O GLY A 91 -7.302 -18.973 -3.442 1.00 0.01 O ATOM 0 H GLY A 91 -5.862 -19.046 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.728 -21.276 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.876 -21.065 -1.043 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.949 -18.939 -1.980 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.665 -17.840 -2.717 1.00 2.31 C ATOM 1417 C GLN A 92 -9.832 -16.607 -1.820 1.00 1.91 C ATOM 1418 O GLN A 92 -10.431 -16.658 -0.764 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.027 -18.367 -3.174 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.678 -17.353 -4.116 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.048 -17.871 -4.555 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.746 -18.608 -3.736 1.00 3.99 O flip ATOM 1423 NE2 GLN A 92 -13.487 -17.603 -5.657 1.00 4.43 N flip ATOM 0 H GLN A 92 -9.418 -19.267 -1.136 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.080 -17.537 -3.585 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.907 -19.325 -3.681 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.669 -18.542 -2.311 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.785 -16.391 -3.614 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.043 -17.190 -4.987 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.941 -17.027 -6.297 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.401 -17.955 -5.941 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.269 -15.503 -2.246 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.350 -14.254 -1.431 1.00 0.01 C ATOM 1434 C ALA A 93 -10.811 -13.775 -1.367 1.00 0.01 C ATOM 1435 O ALA A 93 -11.517 -13.809 -2.356 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.486 -13.174 -2.087 1.00 2.99 C ATOM 0 H ALA A 93 -8.757 -15.414 -3.124 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.992 -14.450 -0.420 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.539 -12.258 -1.498 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.452 -13.515 -2.135 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.851 -12.979 -3.095 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.289 -13.380 -0.196 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.742 -12.955 -0.075 1.00 0.01 C ATOM 1444 C LYS A 94 -12.927 -11.661 0.744 1.00 0.01 C ATOM 1445 O LYS A 94 -12.408 -11.507 1.866 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.537 -14.079 0.598 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.035 -13.867 0.366 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.812 -15.046 0.955 1.00 4.11 C ATOM 1449 CE LYS A 94 -17.312 -14.747 0.908 1.00 5.23 C ATOM 1450 NZ LYS A 94 -17.780 -14.777 -0.507 1.00 6.36 N ATOM 0 H LYS A 94 -10.749 -13.333 0.668 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.103 -12.757 -1.084 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.231 -15.045 0.196 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.324 -14.097 1.667 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.358 -12.936 0.831 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.240 -13.779 -0.701 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.594 -15.955 0.394 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.498 -15.224 1.984 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -17.859 -15.482 1.499 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -17.513 -13.770 1.348 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -18.815 -14.880 -0.528 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -17.510 -13.891 -0.981 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.342 -15.581 -1.001 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.700 -10.726 0.186 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.981 -9.427 0.878 1.00 0.01 C ATOM 1466 C ILE A 95 -15.493 -9.105 0.840 1.00 0.01 C ATOM 1467 O ILE A 95 -16.167 -9.311 -0.153 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.189 -8.313 0.168 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.782 -6.932 0.494 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.245 -8.539 -1.345 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.777 -5.837 0.129 1.00 1.09 C ATOM 0 H ILE A 95 -14.144 -10.823 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.677 -9.498 1.922 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.156 -8.343 0.516 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.710 -6.785 -0.058 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -14.029 -6.873 1.554 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.686 -7.752 -1.851 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.807 -9.508 -1.585 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.283 -8.518 -1.678 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.202 -4.861 0.362 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.860 -5.979 0.701 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.552 -5.890 -0.936 1.00 1.09 H new ATOM 1483 N GLN A 96 -16.002 -8.534 1.913 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.446 -8.108 1.968 1.00 0.01 C ATOM 1485 C GLN A 96 -17.476 -6.614 2.330 1.00 0.01 C ATOM 1486 O GLN A 96 -16.700 -6.179 3.153 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.224 -8.937 3.002 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.339 -9.249 4.203 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.203 -9.801 5.339 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -19.267 -9.286 5.614 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -17.788 -10.839 6.015 1.00 2.05 N ATOM 0 H GLN A 96 -15.472 -8.343 2.763 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.925 -8.273 1.003 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.109 -8.389 3.326 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.572 -9.864 2.547 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.574 -9.975 3.927 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.820 -8.348 4.530 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -16.894 -11.273 5.785 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.358 -11.215 6.773 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.340 -5.814 1.732 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.366 -4.341 2.059 1.00 0.01 C ATOM 1502 C VAL A 97 -19.768 -3.897 2.515 1.00 0.01 C ATOM 1503 O VAL A 97 -20.776 -4.418 2.072 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.962 -3.554 0.812 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.615 -4.074 0.296 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -19.026 -3.738 -0.272 1.00 1.03 C ATOM 0 H VAL A 97 -19.023 -6.114 1.037 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.669 -4.149 2.875 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.874 -2.496 1.061 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.325 -3.514 -0.593 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.856 -3.947 1.068 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.705 -5.131 0.046 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.740 -3.177 -1.162 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.112 -4.796 -0.521 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.985 -3.372 0.094 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.824 -2.943 3.427 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.137 -2.450 3.966 1.00 0.01 C ATOM 1518 C PHE A 98 -21.308 -0.946 3.694 1.00 0.01 C ATOM 1519 O PHE A 98 -20.374 -0.154 3.805 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.182 -2.675 5.478 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.229 -4.155 5.791 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.104 -4.953 5.557 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.388 -4.724 6.335 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.138 -6.319 5.862 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.420 -6.089 6.644 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.294 -6.887 6.407 1.00 0.69 C ATOM 0 H PHE A 98 -19.004 -2.482 3.823 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.938 -2.999 3.471 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.305 -2.226 5.945 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -22.057 -2.180 5.900 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.209 -4.515 5.141 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.257 -4.109 6.516 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.270 -6.935 5.676 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.313 -6.527 7.065 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.318 -7.940 6.645 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.509 -0.567 3.333 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.803 0.862 3.019 1.00 0.01 C ATOM 1538 C GLU A 99 -22.723 1.757 4.265 1.00 0.01 C ATOM 1539 O GLU A 99 -22.363 2.911 4.162 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.207 0.966 2.422 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.445 2.391 1.918 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.771 2.450 1.159 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -25.999 1.580 0.333 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -26.537 3.364 1.415 1.00 0.02 O ATOM 0 H GLU A 99 -23.307 -1.196 3.242 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.051 1.207 2.310 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.318 0.256 1.602 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.953 0.706 3.173 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.463 3.086 2.757 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.627 2.699 1.267 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.064 1.253 5.434 1.00 0.01 N ATOM 1552 CA LYS A 100 -23.012 2.109 6.673 1.00 0.01 C ATOM 1553 C LYS A 100 -21.953 1.579 7.644 1.00 0.01 C ATOM 1554 O LYS A 100 -21.458 0.477 7.508 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.378 2.118 7.361 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.423 2.702 6.407 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.816 2.565 7.026 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.798 3.467 6.279 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.673 3.230 4.813 1.00 3.18 N ATOM 0 H LYS A 100 -23.374 0.293 5.584 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.748 3.125 6.380 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.659 1.105 7.650 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.333 2.710 8.275 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.203 3.751 6.209 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.387 2.183 5.449 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -27.148 1.528 6.975 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.785 2.838 8.081 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -28.817 3.262 6.606 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.594 4.513 6.508 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.526 3.579 4.331 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -26.839 3.734 4.450 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -27.567 2.211 4.634 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.609 2.373 8.621 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.570 1.966 9.611 1.00 0.01 C ATOM 1575 C GLY A 101 -21.057 0.807 10.480 1.00 0.00 C ATOM 1576 O GLY A 101 -22.234 0.519 10.571 1.00 0.01 O ATOM 0 H GLY A 101 -22.009 3.298 8.778 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.660 1.674 9.087 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.314 2.816 10.244 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.133 0.161 11.138 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.474 -0.974 12.042 1.00 0.00 C ATOM 1582 C ASP A 102 -21.232 -2.068 11.289 1.00 0.00 C ATOM 1583 O ASP A 102 -22.135 -2.690 11.809 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.329 -0.456 13.201 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.692 0.808 13.785 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.599 1.148 13.361 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.307 1.412 14.647 1.00 0.01 O ATOM 0 H ASP A 102 -19.137 0.377 11.086 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.549 -1.405 12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.339 -0.239 12.852 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.416 -1.221 13.972 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.834 -2.329 10.072 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.479 -3.409 9.274 1.00 0.01 C ATOM 1594 C PHE A 103 -22.997 -3.234 9.243 1.00 0.00 C ATOM 1595 O PHE A 103 -23.736 -4.131 9.597 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.139 -4.762 9.898 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.668 -4.806 10.241 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.723 -5.019 9.232 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.252 -4.634 11.567 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.360 -5.061 9.547 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.888 -4.676 11.882 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.942 -4.889 10.873 1.00 0.01 C ATOM 0 H PHE A 103 -20.082 -1.834 9.593 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.105 -3.358 8.251 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.737 -4.921 10.795 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.385 -5.566 9.205 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.045 -5.151 8.210 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.982 -4.469 12.346 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.631 -5.226 8.768 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.566 -4.544 12.904 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.890 -4.921 11.116 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.470 -2.097 8.798 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.947 -1.866 8.710 1.00 0.01 C ATOM 1614 C ASN A 104 -25.263 -1.353 7.303 1.00 0.01 C ATOM 1615 O ASN A 104 -24.380 -0.965 6.566 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.373 -0.824 9.751 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.825 -0.404 9.504 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -27.092 0.734 9.172 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -27.780 -1.280 9.653 1.00 2.38 N ATOM 0 H ASN A 104 -22.894 -1.314 8.490 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.487 -2.792 8.905 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -25.270 -1.237 10.755 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.719 0.046 9.696 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -28.750 -1.010 9.491 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -27.557 -2.235 9.932 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.510 -1.358 6.913 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.860 -0.874 5.543 1.00 0.01 C ATOM 1628 C GLY A 105 -26.843 -2.053 4.574 1.00 0.01 C ATOM 1629 O GLY A 105 -26.868 -3.197 4.984 1.00 0.01 O ATOM 0 H GLY A 105 -27.298 -1.674 7.479 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.845 -0.408 5.550 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.149 -0.113 5.221 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.786 -1.800 3.295 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.752 -2.926 2.323 1.00 0.01 C ATOM 1635 C GLN A 106 -25.351 -3.540 2.323 1.00 0.01 C ATOM 1636 O GLN A 106 -24.352 -2.851 2.434 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.085 -2.399 0.924 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.265 -3.576 -0.036 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.789 -3.065 -1.380 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -27.382 -2.018 -1.844 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.681 -3.763 -2.030 1.00 0.01 N ATOM 0 H GLN A 106 -26.762 -0.867 2.884 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.484 -3.683 2.605 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.995 -1.800 0.957 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.287 -1.746 0.570 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.315 -4.092 -0.177 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.962 -4.300 0.386 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -29.023 -4.642 -1.641 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -29.036 -3.429 -2.926 1.00 0.01 H new ATOM 1650 N MET A 107 -25.283 -4.844 2.204 1.00 0.01 N ATOM 1651 CA MET A 107 -23.967 -5.555 2.200 1.00 0.01 C ATOM 1652 C MET A 107 -23.758 -6.245 0.851 1.00 0.01 C ATOM 1653 O MET A 107 -24.676 -6.779 0.259 1.00 0.01 O ATOM 1654 CB MET A 107 -23.965 -6.619 3.302 1.00 0.00 C ATOM 1655 CG MET A 107 -22.567 -7.231 3.438 1.00 0.01 C ATOM 1656 SD MET A 107 -22.661 -8.722 4.459 1.00 0.01 S ATOM 1657 CE MET A 107 -22.997 -9.894 3.120 1.00 0.01 C ATOM 0 H MET A 107 -26.095 -5.453 2.108 1.00 0.01 H new ATOM 0 HA MET A 107 -23.168 -4.833 2.372 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.270 -6.174 4.249 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.691 -7.398 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 107 -22.168 -7.475 2.454 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.885 -6.510 3.889 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.094 -10.899 3.532 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.924 -9.617 2.618 1.00 0.01 H new ATOM 0 HE3 MET A 107 -22.176 -9.873 2.404 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.537 -6.256 0.382 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.206 -6.929 -0.912 1.00 0.00 C ATOM 1669 C TYR A 108 -20.974 -7.815 -0.688 1.00 0.01 C ATOM 1670 O TYR A 108 -20.028 -7.436 -0.026 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.893 -5.874 -1.977 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.181 -5.240 -2.451 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -24.011 -5.930 -3.343 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.546 -3.965 -1.998 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.205 -5.347 -3.782 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.741 -3.382 -2.438 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.570 -4.072 -3.331 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.747 -3.497 -3.762 1.00 2.48 O ATOM 0 H TYR A 108 -21.742 -5.820 0.848 1.00 0.01 H new ATOM 0 HA TYR A 108 -23.049 -7.531 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.230 -5.113 -1.566 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.370 -6.333 -2.816 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.730 -6.912 -3.692 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.906 -3.432 -1.310 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.845 -5.880 -4.469 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.023 -2.400 -2.088 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.780 -2.562 -3.470 1.00 2.48 H new ATOM 1688 N GLU A 109 -21.010 -9.014 -1.213 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.882 -9.984 -1.023 1.00 0.01 C ATOM 1690 C GLU A 109 -19.235 -10.290 -2.374 1.00 0.01 C ATOM 1691 O GLU A 109 -19.916 -10.529 -3.352 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.468 -11.265 -0.421 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.346 -12.261 -0.125 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.946 -13.539 0.462 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.499 -14.314 -0.300 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.842 -13.721 1.663 1.00 0.00 O ATOM 0 H GLU A 109 -21.784 -9.369 -1.774 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.121 -9.567 -0.363 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -21.010 -11.032 0.495 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -21.186 -11.707 -1.112 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.797 -12.490 -1.038 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.633 -11.826 0.575 1.00 0.01 H new ATOM 1703 N THR A 110 -17.923 -10.275 -2.452 1.00 0.01 N ATOM 1704 CA THR A 110 -17.266 -10.557 -3.765 1.00 0.00 C ATOM 1705 C THR A 110 -15.884 -11.200 -3.577 1.00 0.01 C ATOM 1706 O THR A 110 -15.169 -10.955 -2.612 1.00 0.01 O ATOM 1707 CB THR A 110 -17.117 -9.252 -4.564 1.00 1.21 C ATOM 1708 OG1 THR A 110 -15.958 -9.326 -5.383 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.987 -8.067 -3.604 1.00 1.69 C ATOM 0 H THR A 110 -17.290 -10.083 -1.676 1.00 0.01 H new ATOM 0 HA THR A 110 -17.898 -11.258 -4.310 1.00 0.00 H new ATOM 0 HB THR A 110 -17.998 -9.113 -5.190 1.00 1.21 H new ATOM 0 HG1 THR A 110 -15.864 -8.494 -5.893 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.882 -7.145 -4.176 1.00 1.69 H new ATOM 0 HG22 THR A 110 -17.878 -8.006 -2.978 1.00 1.69 H new ATOM 0 HG23 THR A 110 -16.109 -8.205 -2.973 1.00 1.69 H new ATOM 1717 N THR A 111 -15.528 -12.030 -4.528 1.00 0.00 N ATOM 1718 CA THR A 111 -14.213 -12.743 -4.510 1.00 0.01 C ATOM 1719 C THR A 111 -13.344 -12.287 -5.690 1.00 0.01 C ATOM 1720 O THR A 111 -12.316 -12.872 -5.969 1.00 0.01 O ATOM 1721 CB THR A 111 -14.459 -14.250 -4.619 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.401 -14.501 -5.654 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.003 -14.780 -3.292 1.00 0.01 C ATOM 0 H THR A 111 -16.110 -12.248 -5.337 1.00 0.00 H new ATOM 0 HA THR A 111 -13.695 -12.513 -3.579 1.00 0.01 H new ATOM 0 HB THR A 111 -13.521 -14.755 -4.850 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.558 -15.466 -5.726 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.177 -15.853 -3.373 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.279 -14.588 -2.500 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.941 -14.277 -3.056 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.772 -11.272 -6.411 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.996 -10.801 -7.613 1.00 0.01 C ATOM 1733 C GLU A 112 -12.601 -9.327 -7.478 1.00 0.01 C ATOM 1734 O GLU A 112 -13.157 -8.593 -6.687 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.865 -10.970 -8.860 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.029 -12.458 -9.171 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.898 -12.628 -10.418 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -14.544 -12.068 -11.443 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -15.901 -13.314 -10.328 1.00 3.21 O ATOM 0 H GLU A 112 -14.626 -10.748 -6.220 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.086 -11.395 -7.691 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.841 -10.511 -8.701 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.407 -10.459 -9.707 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.053 -12.916 -9.330 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.487 -12.969 -8.324 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.655 -8.888 -8.271 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.224 -7.459 -8.227 1.00 0.01 C ATOM 1748 C ASP A 113 -12.341 -6.571 -8.796 1.00 0.00 C ATOM 1749 O ASP A 113 -13.136 -7.006 -9.606 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.962 -7.293 -9.081 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.089 -8.143 -10.347 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -10.762 -7.704 -11.265 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.511 -9.216 -10.377 1.00 0.00 O ATOM 0 H ASP A 113 -11.160 -9.464 -8.952 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.017 -7.168 -7.197 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.824 -6.245 -9.346 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.083 -7.596 -8.513 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.379 -5.319 -8.398 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.413 -4.371 -8.933 1.00 0.01 C ATOM 1760 C CYS A 114 -12.711 -3.087 -9.441 1.00 0.01 C ATOM 1761 O CYS A 114 -12.122 -2.378 -8.648 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.376 -3.992 -7.806 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.557 -5.341 -7.555 1.00 0.01 S ATOM 0 H CYS A 114 -11.734 -4.911 -7.721 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.959 -4.845 -9.748 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -13.822 -3.802 -6.887 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -14.904 -3.072 -8.056 1.00 0.01 H new ATOM 0 HG CYS A 114 -15.238 -6.003 -6.482 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.771 -2.752 -10.723 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.113 -1.501 -11.201 1.00 0.01 C ATOM 1771 C PRO A 115 -12.915 -0.256 -10.797 1.00 0.01 C ATOM 1772 O PRO A 115 -12.355 0.805 -10.579 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.106 -1.697 -12.726 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.145 -2.781 -13.063 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.462 -3.560 -11.773 1.00 0.01 C ATOM 0 HA PRO A 115 -11.121 -1.341 -10.779 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.349 -0.763 -13.233 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.116 -1.997 -13.069 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.051 -2.328 -13.466 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.758 -3.454 -13.828 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.535 -3.625 -11.593 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.083 -4.581 -11.813 1.00 0.01 H new ATOM 1783 N SER A 116 -14.219 -0.370 -10.711 1.00 0.01 N ATOM 1784 CA SER A 116 -15.060 0.806 -10.331 1.00 0.02 C ATOM 1785 C SER A 116 -16.215 0.336 -9.441 1.00 0.01 C ATOM 1786 O SER A 116 -17.133 -0.334 -9.880 1.00 0.00 O ATOM 1787 CB SER A 116 -15.614 1.461 -11.596 1.00 0.01 C ATOM 1788 OG SER A 116 -16.516 2.497 -11.233 1.00 0.01 O ATOM 0 H SER A 116 -14.737 -1.230 -10.889 1.00 0.01 H new ATOM 0 HA SER A 116 -14.456 1.531 -9.785 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.799 1.866 -12.196 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.123 0.719 -12.210 1.00 0.01 H new ATOM 0 HG SER A 116 -16.872 2.920 -12.043 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.149 0.671 -8.180 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.202 0.244 -7.214 1.00 0.01 C ATOM 1796 C ILE A 117 -18.552 0.857 -7.580 1.00 0.01 C ATOM 1797 O ILE A 117 -19.577 0.216 -7.451 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.803 0.704 -5.811 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.544 -0.049 -5.370 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.936 0.420 -4.823 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.914 0.660 -4.170 1.00 1.83 C ATOM 0 H ILE A 117 -15.399 1.230 -7.773 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.293 -0.842 -7.247 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.606 1.776 -5.829 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.796 -1.076 -5.107 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.830 -0.097 -6.192 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.642 0.751 -3.827 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.833 0.956 -5.134 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.142 -0.650 -4.803 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.019 0.122 -3.858 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.646 1.679 -4.449 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.627 0.685 -3.346 1.00 1.83 H new ATOM 1813 N MET A 118 -18.572 2.092 -8.003 1.00 0.02 N ATOM 1814 CA MET A 118 -19.877 2.727 -8.333 1.00 0.01 C ATOM 1815 C MET A 118 -20.493 2.047 -9.553 1.00 0.01 C ATOM 1816 O MET A 118 -21.687 1.859 -9.625 1.00 0.02 O ATOM 1817 CB MET A 118 -19.689 4.220 -8.610 1.00 0.24 C ATOM 1818 CG MET A 118 -21.055 4.908 -8.635 1.00 0.63 C ATOM 1819 SD MET A 118 -20.876 6.581 -9.304 1.00 1.20 S ATOM 1820 CE MET A 118 -22.620 7.054 -9.203 1.00 1.34 C ATOM 0 H MET A 118 -17.750 2.682 -8.133 1.00 0.02 H new ATOM 0 HA MET A 118 -20.547 2.611 -7.481 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.058 4.667 -7.842 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.180 4.363 -9.563 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.752 4.334 -9.245 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.472 4.950 -7.629 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.743 8.072 -9.573 1.00 1.34 H new ATOM 0 HE2 MET A 118 -23.217 6.373 -9.809 1.00 1.34 H new ATOM 0 HE3 MET A 118 -22.952 7.002 -8.166 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.706 1.671 -10.514 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.289 1.010 -11.710 1.00 0.02 C ATOM 1832 C GLU A 119 -20.798 -0.383 -11.335 1.00 0.02 C ATOM 1833 O GLU A 119 -21.801 -0.846 -11.839 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.218 0.884 -12.795 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.869 0.446 -14.107 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.789 0.252 -15.173 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -17.776 0.928 -15.091 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -18.991 -0.568 -16.051 1.00 2.11 O ATOM 0 H GLU A 119 -18.693 1.790 -10.526 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.120 1.609 -12.083 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.709 1.838 -12.930 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.462 0.159 -12.492 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.420 -0.483 -13.959 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.589 1.195 -14.436 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.079 -1.079 -10.493 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.484 -2.472 -10.134 1.00 0.01 C ATOM 1847 C GLN A 120 -21.601 -2.505 -9.084 1.00 0.01 C ATOM 1848 O GLN A 120 -22.542 -3.266 -9.204 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.265 -3.219 -9.591 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.563 -4.719 -9.545 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.599 -5.278 -10.968 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -18.933 -4.773 -11.850 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -20.354 -6.308 -11.231 1.00 2.08 N ATOM 0 H GLN A 120 -19.230 -0.744 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.867 -2.948 -11.036 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.398 -3.029 -10.223 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -19.018 -2.856 -8.593 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.801 -5.234 -8.960 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.518 -4.895 -9.050 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -20.913 -6.733 -10.491 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -20.385 -6.689 -12.177 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.469 -1.743 -8.024 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.487 -1.794 -6.918 1.00 0.01 C ATOM 1864 C PHE A 121 -23.320 -0.514 -6.824 1.00 0.01 C ATOM 1865 O PHE A 121 -24.182 -0.400 -5.977 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.760 -2.012 -5.593 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.942 -3.280 -5.667 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.525 -4.508 -5.331 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.603 -3.228 -6.070 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.766 -5.684 -5.398 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.845 -4.403 -6.136 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.427 -5.631 -5.800 1.00 0.01 C ATOM 0 H PHE A 121 -20.702 -1.087 -7.874 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.172 -2.613 -7.136 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.113 -1.162 -5.377 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.481 -2.079 -4.778 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.559 -4.549 -5.021 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.154 -2.281 -6.330 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.215 -6.632 -5.139 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.811 -4.362 -6.446 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.842 -6.538 -5.851 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.078 0.452 -7.663 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.871 1.711 -7.584 1.00 0.01 C ATOM 1884 C HIS A 122 -23.680 2.349 -6.204 1.00 0.01 C ATOM 1885 O HIS A 122 -24.577 2.971 -5.669 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.351 1.395 -7.827 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.469 0.352 -8.903 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -24.469 0.139 -9.840 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -26.463 -0.544 -9.207 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -24.880 -0.850 -10.654 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -26.089 -1.303 -10.312 1.00 0.01 N ATOM 0 H HIS A 122 -22.370 0.426 -8.397 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.530 2.412 -8.345 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.814 1.038 -6.907 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.884 2.299 -8.122 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -27.395 -0.645 -8.670 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -24.303 -1.231 -11.483 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -26.623 -2.045 -10.763 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.508 2.195 -5.628 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.229 2.789 -4.274 1.00 0.01 C ATOM 1901 C LEU A 123 -21.191 3.905 -4.432 1.00 0.02 C ATOM 1902 O LEU A 123 -20.207 3.758 -5.131 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.673 1.693 -3.334 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.815 1.024 -2.538 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.363 -0.352 -2.036 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.185 1.885 -1.322 1.00 0.01 C ATOM 0 H LEU A 123 -21.728 1.681 -6.038 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.147 3.193 -3.848 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.142 0.942 -3.918 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.951 2.130 -2.645 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.678 0.919 -3.195 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.173 -0.819 -1.475 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.101 -0.981 -2.886 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.494 -0.236 -1.389 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.991 1.404 -0.768 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.315 1.994 -0.675 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.512 2.869 -1.659 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.407 5.025 -3.791 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.440 6.157 -3.904 1.00 0.00 C ATOM 1920 C ARG A 124 -19.393 6.080 -2.790 1.00 0.01 C ATOM 1921 O ARG A 124 -18.316 6.633 -2.897 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.194 7.484 -3.794 1.00 1.67 C ATOM 1923 CG ARG A 124 -20.250 8.638 -4.140 1.00 1.98 C ATOM 1924 CD ARG A 124 -21.032 9.952 -4.144 1.00 2.92 C ATOM 1925 NE ARG A 124 -20.116 11.073 -4.498 1.00 3.54 N ATOM 1926 CZ ARG A 124 -20.607 12.230 -4.851 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -21.901 12.405 -4.896 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -19.804 13.213 -5.160 1.00 5.32 N ATOM 0 H ARG A 124 -22.214 5.204 -3.193 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.937 6.092 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -22.050 7.485 -4.469 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -21.585 7.610 -2.784 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -19.438 8.688 -3.415 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -19.795 8.470 -5.116 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -21.852 9.898 -4.860 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -21.476 10.126 -3.164 1.00 2.92 H new ATOM 0 HE ARG A 124 -19.106 10.936 -4.464 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -22.528 11.637 -4.655 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -22.284 13.309 -5.172 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -18.794 13.076 -5.125 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -20.187 14.117 -5.436 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.709 5.414 -1.705 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.746 5.319 -0.567 1.00 0.01 C ATOM 1944 C GLU A 125 -18.944 3.992 0.173 1.00 0.01 C ATOM 1945 O GLU A 125 -19.963 3.342 0.037 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.002 6.465 0.414 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.627 7.796 -0.245 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.651 8.910 0.803 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.390 8.776 1.764 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.930 9.879 0.627 1.00 0.01 O ATOM 0 H GLU A 125 -20.596 4.931 -1.560 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.730 5.377 -0.958 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.051 6.477 0.710 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.416 6.319 1.321 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.636 7.725 -0.693 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.325 8.025 -1.050 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.988 3.607 0.982 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.113 2.341 1.779 1.00 0.01 C ATOM 1959 C ILE A 126 -17.743 2.676 3.226 1.00 0.01 C ATOM 1960 O ILE A 126 -16.744 3.324 3.466 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.154 1.284 1.218 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.727 0.764 -0.104 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -17.015 0.122 2.212 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.712 -0.153 -0.783 1.00 1.70 C ATOM 0 H ILE A 126 -17.118 4.118 1.127 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.127 1.943 1.727 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.170 1.724 1.055 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.655 0.222 0.079 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.971 1.600 -0.759 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.332 -0.624 1.806 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.622 0.497 3.157 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.992 -0.332 2.379 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.125 -0.520 -1.723 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.795 0.403 -0.982 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.490 -0.997 -0.130 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.569 2.310 4.188 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.269 2.702 5.612 1.00 0.01 C ATOM 1978 C HIS A 127 -17.809 1.524 6.478 1.00 0.01 C ATOM 1979 O HIS A 127 -17.273 1.722 7.549 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.515 3.349 6.234 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.684 4.750 5.704 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.232 5.121 4.447 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.250 5.877 6.247 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.530 6.422 4.277 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.150 6.932 5.344 1.00 0.02 N ATOM 0 H HIS A 127 -19.422 1.767 4.053 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.441 3.410 5.583 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.398 2.754 6.002 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.421 3.370 7.320 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.704 5.936 7.225 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.296 6.985 3.386 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.480 7.889 5.470 1.00 0.02 H new ATOM 1993 N SER A 128 -17.969 0.308 6.033 1.00 0.01 N ATOM 1994 CA SER A 128 -17.484 -0.843 6.860 1.00 0.01 C ATOM 1995 C SER A 128 -17.195 -2.014 5.924 1.00 0.01 C ATOM 1996 O SER A 128 -17.773 -2.125 4.868 1.00 0.01 O ATOM 1997 CB SER A 128 -18.566 -1.225 7.883 1.00 0.01 C ATOM 1998 OG SER A 128 -18.221 -0.685 9.148 1.00 0.01 O ATOM 0 H SER A 128 -18.407 0.059 5.146 1.00 0.01 H new ATOM 0 HA SER A 128 -16.576 -0.575 7.401 1.00 0.01 H new ATOM 0 HB2 SER A 128 -19.536 -0.844 7.564 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.655 -2.309 7.949 1.00 0.01 H new ATOM 0 HG SER A 128 -17.987 0.261 9.047 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.290 -2.887 6.274 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.986 -4.014 5.357 1.00 0.01 C ATOM 2006 C CYS A 129 -15.277 -5.126 6.121 1.00 0.00 C ATOM 2007 O CYS A 129 -14.499 -4.886 7.025 1.00 0.01 O ATOM 2008 CB CYS A 129 -15.097 -3.509 4.219 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.331 -4.907 3.358 1.00 1.22 S ATOM 0 H CYS A 129 -15.756 -2.868 7.143 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.913 -4.410 4.944 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.690 -2.921 3.518 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.325 -2.849 4.616 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.217 -5.840 3.171 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.548 -6.352 5.755 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.909 -7.510 6.444 1.00 0.01 C ATOM 2017 C LYS A 130 -14.102 -8.301 5.415 1.00 0.01 C ATOM 2018 O LYS A 130 -14.632 -8.985 4.568 1.00 0.01 O ATOM 2019 CB LYS A 130 -16.018 -8.397 7.068 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.862 -8.467 8.594 1.00 0.80 C ATOM 2021 CD LYS A 130 -17.021 -9.269 9.189 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.929 -9.245 10.716 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.199 -7.865 11.210 1.00 1.41 N ATOM 0 H LYS A 130 -16.190 -6.601 5.002 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.243 -7.171 7.237 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.999 -7.993 6.816 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.968 -9.401 6.646 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.912 -8.935 8.852 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.847 -7.462 9.015 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.973 -8.848 8.865 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -16.988 -10.297 8.828 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.648 -9.943 11.145 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -15.939 -9.570 11.036 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -16.431 -7.567 11.845 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.253 -7.212 10.403 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -18.101 -7.852 11.727 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.812 -8.215 5.514 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.910 -8.957 4.598 1.00 0.01 C ATOM 2039 C VAL A 131 -11.309 -10.068 5.424 1.00 0.01 C ATOM 2040 O VAL A 131 -10.606 -9.797 6.384 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.796 -8.019 4.109 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -10.034 -8.672 2.957 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.406 -6.703 3.626 1.00 0.01 C ATOM 0 H VAL A 131 -12.331 -7.646 6.210 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.441 -9.342 3.727 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.110 -7.825 4.933 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.246 -8.001 2.616 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.591 -9.608 3.298 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.720 -8.873 2.135 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.613 -6.040 3.280 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -12.097 -6.901 2.807 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.944 -6.228 4.447 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.502 -11.322 5.052 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.832 -12.405 5.840 1.00 0.01 C ATOM 2055 C VAL A 132 -10.469 -13.533 4.891 1.00 0.00 C ATOM 2056 O VAL A 132 -11.025 -14.610 4.960 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.793 -12.931 6.910 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.045 -13.883 7.847 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.353 -11.760 7.721 1.00 1.98 C ATOM 0 H VAL A 132 -12.074 -11.629 4.265 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.937 -12.016 6.325 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.612 -13.463 6.426 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.730 -14.257 8.608 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.648 -14.720 7.273 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.224 -13.350 8.327 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.036 -12.138 8.481 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.534 -11.226 8.202 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.888 -11.081 7.057 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.540 -13.311 4.024 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.121 -14.379 3.082 1.00 0.01 C ATOM 2071 C GLU A 133 -8.155 -13.730 2.092 1.00 0.01 C ATOM 2072 O GLU A 133 -8.576 -12.950 1.255 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.364 -14.989 2.369 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.561 -16.459 2.783 1.00 0.00 C ATOM 2075 CD GLU A 133 -11.969 -16.914 2.398 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -12.214 -17.077 1.214 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -12.779 -17.090 3.292 1.00 0.00 O ATOM 0 H GLU A 133 -9.043 -12.426 3.921 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.630 -15.204 3.598 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.254 -14.412 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.238 -14.924 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.818 -17.088 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.413 -16.568 3.857 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.888 -14.029 2.176 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.911 -13.410 1.231 1.00 0.01 C ATOM 2086 C GLY A 134 -5.716 -11.927 1.578 1.00 0.01 C ATOM 2087 O GLY A 134 -6.228 -11.442 2.568 1.00 0.01 O ATOM 0 H GLY A 134 -6.486 -14.674 2.856 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.957 -13.934 1.286 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.270 -13.509 0.207 1.00 0.01 H new ATOM 2091 N THR A 135 -4.977 -11.204 0.767 1.00 0.01 N ATOM 2092 CA THR A 135 -4.736 -9.746 1.031 1.00 0.01 C ATOM 2093 C THR A 135 -5.449 -8.915 -0.042 1.00 0.01 C ATOM 2094 O THR A 135 -5.549 -9.324 -1.181 1.00 0.01 O ATOM 2095 CB THR A 135 -3.231 -9.470 0.976 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.544 -10.475 1.710 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.933 -8.097 1.584 1.00 2.30 C ATOM 0 H THR A 135 -4.526 -11.565 -0.074 1.00 0.01 H new ATOM 0 HA THR A 135 -5.122 -9.477 2.015 1.00 0.01 H new ATOM 0 HB THR A 135 -2.898 -9.481 -0.062 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.580 -10.303 1.676 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.861 -7.906 1.542 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.461 -7.327 1.021 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.265 -8.079 2.622 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.956 -7.756 0.319 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.688 -6.893 -0.671 1.00 0.01 C ATOM 2107 C TRP A 136 -6.160 -5.453 -0.622 1.00 0.01 C ATOM 2108 O TRP A 136 -5.805 -4.945 0.421 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.179 -6.890 -0.326 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.784 -8.205 -0.700 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.763 -9.316 0.070 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.495 -8.565 -1.919 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.426 -10.332 -0.594 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.893 -9.918 -1.824 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.832 -7.854 -3.084 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.603 -10.544 -2.849 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.544 -8.484 -4.119 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -10.929 -9.826 -4.001 1.00 0.01 C ATOM 0 H TRP A 136 -5.894 -7.369 1.261 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.531 -7.294 -1.672 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.315 -6.706 0.740 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.684 -6.082 -0.856 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.304 -9.397 1.044 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.554 -11.272 -0.220 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.542 -6.818 -3.184 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.899 -11.578 -2.752 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.796 -7.930 -5.011 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.477 -10.304 -4.800 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.141 -4.778 -1.747 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.681 -3.350 -1.782 1.00 0.00 C ATOM 2131 C ILE A 137 -6.853 -2.492 -2.262 1.00 0.01 C ATOM 2132 O ILE A 137 -7.574 -2.876 -3.157 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.529 -3.187 -2.783 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.431 -4.215 -2.491 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.941 -1.776 -2.661 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.221 -3.939 -3.391 1.00 1.69 C ATOM 0 H ILE A 137 -6.426 -5.157 -2.650 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.342 -3.051 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.911 -3.343 -3.792 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.138 -4.162 -1.443 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.806 -5.223 -2.666 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.123 -1.660 -3.372 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.715 -1.039 -2.876 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.566 -1.624 -1.649 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.439 -4.670 -3.184 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.520 -4.014 -4.436 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.842 -2.936 -3.193 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.011 -1.308 -1.705 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.104 -0.379 -2.161 1.00 0.01 C ATOM 2150 C PHE A 138 -7.440 0.851 -2.774 1.00 0.01 C ATOM 2151 O PHE A 138 -6.411 1.298 -2.310 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.050 -0.011 -0.978 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.695 1.297 -0.263 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.761 2.539 -0.929 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.349 1.266 1.095 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.467 3.722 -0.240 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.063 2.451 1.779 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.119 3.678 1.111 1.00 2.49 C ATOM 0 H PHE A 138 -6.428 -0.944 -0.952 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.733 -0.861 -2.910 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.070 0.061 -1.354 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -9.035 -0.823 -0.251 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.039 2.577 -1.972 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.303 0.321 1.616 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.510 4.670 -0.755 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.798 2.419 2.826 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.893 4.592 1.640 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.033 1.409 -3.806 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.460 2.630 -4.462 1.00 0.01 C ATOM 2170 C TYR A 139 -8.510 3.743 -4.427 1.00 0.01 C ATOM 2171 O TYR A 139 -9.703 3.487 -4.480 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.092 2.321 -5.917 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.237 1.074 -5.977 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.817 -0.176 -5.751 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.870 1.168 -6.264 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.034 -1.335 -5.810 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.085 0.009 -6.322 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.668 -1.242 -6.095 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.895 -2.384 -6.152 1.00 0.00 O ATOM 0 H TYR A 139 -8.898 1.067 -4.225 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.561 2.943 -3.931 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.997 2.181 -6.508 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.554 3.163 -6.352 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.872 -0.249 -5.530 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.421 2.134 -6.441 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.485 -2.301 -5.635 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.030 0.081 -6.542 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.969 -2.142 -6.362 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.076 4.968 -4.273 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.035 6.105 -4.147 1.00 0.02 C ATOM 2191 C GLU A 140 -9.684 6.465 -5.489 1.00 0.01 C ATOM 2192 O GLU A 140 -10.799 6.949 -5.508 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.253 7.316 -3.634 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.222 8.459 -3.328 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.478 9.577 -2.591 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.913 10.427 -3.260 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -8.485 9.564 -1.371 1.00 0.01 O ATOM 0 H GLU A 140 -7.091 5.230 -4.229 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.834 5.816 -3.464 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.695 7.048 -2.737 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.524 7.633 -4.379 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.652 8.843 -4.253 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.049 8.095 -2.719 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.023 6.257 -6.607 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.643 6.619 -7.930 1.00 0.02 C ATOM 2206 C LEU A 141 -9.866 5.334 -8.755 1.00 0.01 C ATOM 2207 O LEU A 141 -9.166 4.354 -8.572 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.675 7.557 -8.682 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.865 9.015 -8.209 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.594 9.819 -8.498 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.046 9.670 -8.943 1.00 1.24 C ATOM 0 H LEU A 141 -8.087 5.855 -6.663 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.600 7.117 -7.777 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.646 7.243 -8.509 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.853 7.490 -9.755 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.068 9.007 -7.138 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.730 10.847 -8.164 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.753 9.373 -7.967 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.393 9.809 -9.569 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.165 10.697 -8.597 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.854 9.669 -10.016 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.958 9.110 -8.737 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.832 5.334 -9.664 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.112 4.124 -10.493 1.00 0.01 C ATOM 2225 C PRO A 142 -9.868 3.617 -11.227 1.00 0.01 C ATOM 2226 O PRO A 142 -8.861 4.286 -11.341 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.187 4.626 -11.484 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.407 6.132 -11.240 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.704 6.517 -9.929 1.00 0.01 C ATOM 0 HA PRO A 142 -11.435 3.272 -9.894 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.867 4.451 -12.511 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.119 4.079 -11.342 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -12.006 6.714 -12.070 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.472 6.355 -11.179 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.123 7.433 -10.035 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.417 6.684 -9.121 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.976 2.424 -11.743 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.858 1.811 -12.510 1.00 0.01 C ATOM 2239 C ASN A 143 -7.602 1.684 -11.647 1.00 0.01 C ATOM 2240 O ASN A 143 -6.489 1.718 -12.134 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.546 2.681 -13.729 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.852 3.101 -14.405 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.049 4.262 -14.705 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -10.759 2.198 -14.661 1.00 0.56 N ATOM 0 H ASN A 143 -10.807 1.839 -11.663 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.163 0.813 -12.825 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.982 3.563 -13.425 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.921 2.130 -14.432 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -11.633 2.467 -15.113 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -10.594 1.223 -14.409 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.783 1.496 -10.368 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.622 1.316 -9.451 1.00 0.02 C ATOM 2253 C TYR A 144 -5.673 2.520 -9.519 1.00 0.01 C ATOM 2254 O TYR A 144 -4.483 2.369 -9.704 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.873 0.036 -9.845 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.876 -0.991 -10.329 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.900 -1.419 -9.476 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.790 -1.503 -11.631 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.837 -2.360 -9.922 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.727 -2.443 -12.077 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.750 -2.872 -11.222 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.675 -3.798 -11.660 1.00 0.01 O ATOM 0 H TYR A 144 -8.696 1.459 -9.915 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.988 1.236 -8.427 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.146 0.251 -10.628 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.317 -0.353 -8.992 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.968 -1.023 -8.473 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -6.001 -1.172 -12.290 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.626 -2.690 -9.263 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.661 -2.837 -13.080 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.473 -4.050 -12.585 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.197 3.713 -9.367 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.330 4.940 -9.418 1.00 0.01 C ATOM 2274 C ARG A 145 -5.518 5.764 -8.143 1.00 0.01 C ATOM 2275 O ARG A 145 -6.458 5.564 -7.400 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.731 5.798 -10.620 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.480 5.020 -11.912 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.937 5.857 -13.108 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.420 5.250 -14.366 1.00 0.01 N ATOM 2280 CZ ARG A 145 -5.919 5.611 -15.517 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -6.872 6.501 -15.565 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -5.464 5.081 -16.619 1.00 0.01 N ATOM 0 H ARG A 145 -7.189 3.893 -9.209 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.288 4.633 -9.507 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.783 6.074 -10.548 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.158 6.725 -10.625 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.421 4.781 -12.005 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.020 4.073 -11.890 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -7.026 5.906 -13.136 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.574 6.880 -13.009 1.00 0.01 H new ATOM 0 HE ARG A 145 -4.677 4.553 -14.328 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -7.227 6.915 -14.703 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.262 6.783 -16.464 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -4.719 4.385 -16.581 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -5.853 5.362 -17.519 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.618 6.678 -7.865 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.733 7.507 -6.627 1.00 0.02 C ATOM 2298 C GLY A 146 -4.004 6.819 -5.469 1.00 0.01 C ATOM 2299 O GLY A 146 -3.225 5.907 -5.662 1.00 0.02 O ATOM 0 H GLY A 146 -3.806 6.885 -8.447 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.307 8.495 -6.800 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.783 7.652 -6.372 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.252 7.259 -4.266 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.578 6.645 -3.085 1.00 0.01 C ATOM 2305 C ARG A 147 -4.090 5.218 -2.912 1.00 0.01 C ATOM 2306 O ARG A 147 -5.248 4.918 -3.138 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.910 7.464 -1.837 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.974 7.062 -0.696 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.258 7.931 0.532 1.00 0.01 C ATOM 2310 NE ARG A 147 -4.514 7.467 1.189 1.00 0.02 N ATOM 2311 CZ ARG A 147 -4.795 7.854 2.403 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -3.981 8.648 3.040 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -5.894 7.448 2.980 1.00 0.02 N ATOM 0 H ARG A 147 -4.895 8.020 -4.048 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.498 6.632 -3.233 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.805 8.528 -2.049 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.947 7.298 -1.546 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.115 6.010 -0.450 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.936 7.180 -1.005 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.425 7.872 1.233 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -3.354 8.976 0.237 1.00 0.01 H new ATOM 0 HE ARG A 147 -5.153 6.848 0.690 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.123 8.967 2.590 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.202 8.950 3.989 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -6.533 6.828 2.482 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -6.114 7.751 3.929 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.199 4.327 -2.542 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.557 2.885 -2.375 1.00 0.01 C ATOM 2329 C GLN A 148 -3.332 2.470 -0.913 1.00 0.01 C ATOM 2330 O GLN A 148 -2.450 2.972 -0.247 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.619 2.065 -3.286 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.236 2.893 -4.517 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.568 1.993 -5.558 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.134 0.902 -5.244 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.467 2.404 -6.792 1.00 0.01 N ATOM 0 H GLN A 148 -2.222 4.545 -2.346 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.601 2.714 -2.637 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.723 1.778 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.112 1.143 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.124 3.361 -4.943 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.559 3.697 -4.230 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -1.831 3.319 -7.056 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.024 1.810 -7.493 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.122 1.551 -0.422 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.970 1.073 0.992 1.00 0.01 C ATOM 2346 C TYR A 149 -3.922 -0.463 1.000 1.00 0.01 C ATOM 2347 O TYR A 149 -4.602 -1.108 0.226 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.165 1.569 1.819 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.737 1.852 3.247 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.377 0.795 4.093 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.700 3.170 3.722 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.980 1.055 5.410 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.304 3.429 5.038 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.945 2.372 5.882 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.555 2.629 7.181 1.00 0.01 O ATOM 0 H TYR A 149 -4.876 1.104 -0.944 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.048 1.462 1.425 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.577 2.473 1.370 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.957 0.820 1.811 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.406 -0.221 3.729 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.977 3.986 3.071 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.701 0.240 6.061 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.275 4.445 5.403 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.248 3.557 7.253 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.133 -1.053 1.864 1.00 0.01 N ATOM 2366 CA LEU A 150 -3.042 -2.549 1.913 1.00 0.01 C ATOM 2367 C LEU A 150 -3.945 -3.075 3.035 1.00 0.01 C ATOM 2368 O LEU A 150 -3.791 -2.722 4.187 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.582 -2.933 2.173 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.368 -4.429 1.886 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.133 -4.724 1.845 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.041 -5.294 2.974 1.00 0.01 C ATOM 0 H LEU A 150 -2.546 -0.564 2.540 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.371 -2.987 0.971 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.923 -2.336 1.542 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.319 -2.712 3.207 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.820 -4.673 0.925 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.290 -5.783 1.642 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.599 -4.131 1.058 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.580 -4.469 2.806 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.878 -6.349 2.753 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.609 -5.056 3.946 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.111 -5.088 2.992 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.893 -3.920 2.696 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.827 -4.489 3.720 1.00 0.01 C ATOM 2386 C LEU A 151 -5.466 -5.947 4.017 1.00 0.01 C ATOM 2387 O LEU A 151 -5.219 -6.731 3.120 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.261 -4.431 3.183 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.544 -3.039 2.609 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -9.026 -2.934 2.240 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.195 -1.970 3.655 1.00 0.01 C ATOM 0 H LEU A 151 -5.060 -4.242 1.743 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.743 -3.905 4.637 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.401 -5.188 2.411 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.968 -4.656 3.982 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.936 -2.882 1.718 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.230 -1.944 1.831 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.270 -3.692 1.495 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.635 -3.091 3.130 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.397 -0.980 3.245 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.801 -2.123 4.548 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.139 -2.047 3.915 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.465 -6.321 5.272 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.149 -7.735 5.652 1.00 0.01 C ATOM 2405 C ASP A 152 -6.438 -8.418 6.118 1.00 0.00 C ATOM 2406 O ASP A 152 -7.457 -7.779 6.287 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.130 -7.734 6.796 1.00 1.04 C ATOM 2408 CG ASP A 152 -2.815 -7.118 6.312 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.210 -7.689 5.418 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -2.435 -6.086 6.842 1.00 1.57 O ATOM 0 H ASP A 152 -5.671 -5.703 6.057 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.734 -8.269 4.798 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -4.519 -7.168 7.642 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -3.959 -8.752 7.145 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.408 -9.708 6.329 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.641 -10.414 6.787 1.00 0.01 C ATOM 2417 C LYS A 153 -8.116 -9.776 8.099 1.00 0.01 C ATOM 2418 O LYS A 153 -7.799 -10.248 9.173 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.323 -11.898 7.012 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.930 -12.033 7.630 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.749 -13.449 8.183 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.373 -13.570 8.839 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.245 -14.910 9.480 1.00 1.84 N ATOM 0 H LYS A 153 -5.587 -10.301 6.205 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.425 -10.329 6.034 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.069 -12.345 7.669 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.367 -12.438 6.066 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.167 -11.824 6.880 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.802 -11.301 8.428 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.531 -13.669 8.910 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -5.846 -14.179 7.380 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.590 -13.435 8.093 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.243 -12.785 9.584 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -3.309 -14.993 9.926 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -4.985 -15.021 10.203 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.352 -15.652 8.759 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.851 -8.688 8.024 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.322 -7.999 9.273 1.00 0.01 C ATOM 2439 C LYS A 154 -10.787 -7.542 9.143 1.00 0.01 C ATOM 2440 O LYS A 154 -11.360 -7.517 8.068 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.412 -6.778 9.525 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.286 -6.487 11.035 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.172 -7.345 11.648 1.00 0.97 C ATOM 2444 CE LYS A 154 -7.228 -7.231 13.172 1.00 1.44 C ATOM 2445 NZ LYS A 154 -7.414 -5.803 13.554 1.00 2.28 N ATOM 0 H LYS A 154 -9.145 -8.247 7.152 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.269 -8.697 10.108 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.424 -6.962 9.103 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.819 -5.905 9.015 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -8.070 -5.430 11.192 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -9.232 -6.696 11.533 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.290 -8.385 11.345 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.200 -7.015 11.282 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -8.048 -7.833 13.563 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -6.309 -7.620 13.611 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -7.088 -5.660 14.531 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -6.863 -5.198 12.913 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -8.421 -5.553 13.485 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.377 -7.140 10.244 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.786 -6.633 10.234 1.00 0.01 C ATOM 2461 C GLU A 155 -12.751 -5.121 10.510 1.00 0.01 C ATOM 2462 O GLU A 155 -12.420 -4.692 11.599 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.589 -7.348 11.327 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.694 -7.600 12.542 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.557 -8.028 13.731 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.567 -8.672 13.502 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -13.194 -7.704 14.849 1.00 0.01 O ATOM 0 H GLU A 155 -10.934 -7.142 11.163 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.258 -6.824 9.270 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.448 -6.743 11.615 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.978 -8.293 10.947 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -11.962 -8.374 12.313 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.136 -6.697 12.790 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.067 -4.309 9.528 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.026 -2.823 9.728 1.00 0.01 C ATOM 2476 C TYR A 156 -14.436 -2.287 9.970 1.00 0.01 C ATOM 2477 O TYR A 156 -15.300 -2.399 9.123 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.428 -2.172 8.479 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.013 -2.668 8.286 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.965 -2.102 9.025 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.749 -3.693 7.371 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.656 -2.564 8.847 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.440 -4.154 7.194 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.393 -3.588 7.932 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.103 -4.041 7.758 1.00 0.01 O ATOM 0 H TYR A 156 -13.352 -4.611 8.596 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.412 -2.588 10.597 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.032 -2.413 7.605 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.434 -1.087 8.582 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.167 -1.310 9.731 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.556 -4.129 6.801 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.848 -2.129 9.417 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.237 -4.946 6.488 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.118 -4.897 7.281 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.689 -1.737 11.132 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.062 -1.235 11.443 1.00 0.01 C ATOM 2497 C ARG A 157 -16.217 0.245 11.078 1.00 0.00 C ATOM 2498 O ARG A 157 -17.309 0.691 10.794 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.335 -1.412 12.938 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.204 -0.775 13.747 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.531 -0.856 15.238 1.00 0.00 C ATOM 2502 NE ARG A 157 -15.727 -2.282 15.625 1.00 0.01 N ATOM 2503 CZ ARG A 157 -15.715 -2.623 16.884 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.530 -1.717 17.803 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -15.886 -3.873 17.223 1.00 0.01 N ATOM 0 H ARG A 157 -14.004 -1.614 11.878 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.775 -1.809 10.851 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.287 -0.951 13.201 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.416 -2.472 13.180 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.264 -1.287 13.542 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.072 0.265 13.449 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -14.723 -0.417 15.823 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.431 -0.281 15.456 1.00 0.00 H new ATOM 0 HE ARG A 157 -15.870 -2.991 14.906 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.395 -0.741 17.538 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.521 -1.984 18.787 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -16.029 -4.582 16.503 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -15.877 -4.140 18.207 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.151 1.016 11.063 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.264 2.468 10.688 1.00 0.01 C ATOM 2521 C LYS A 158 -14.273 2.738 9.535 1.00 0.01 C ATOM 2522 O LYS A 158 -13.282 2.049 9.405 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.896 3.346 11.915 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.156 3.874 12.624 1.00 0.97 C ATOM 2525 CD LYS A 158 -16.825 2.745 13.411 1.00 1.44 C ATOM 2526 CE LYS A 158 -17.971 3.317 14.248 1.00 2.13 C ATOM 2527 NZ LYS A 158 -19.062 3.782 13.346 1.00 2.54 N ATOM 0 H LYS A 158 -14.208 0.703 11.294 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.280 2.708 10.376 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.299 2.763 12.616 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.279 4.185 11.593 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -15.890 4.689 13.297 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.853 4.280 11.891 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -17.204 1.985 12.727 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -16.096 2.257 14.058 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -18.350 2.558 14.932 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.611 4.146 14.858 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -19.834 4.186 13.914 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -18.692 4.507 12.699 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -19.423 2.978 12.795 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.502 3.743 8.721 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.552 4.053 7.612 1.00 0.02 C ATOM 2543 C PRO A 159 -12.177 4.439 8.175 1.00 0.01 C ATOM 2544 O PRO A 159 -11.152 4.052 7.645 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.247 5.232 6.908 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.355 5.753 7.842 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.689 4.635 8.842 1.00 0.28 C ATOM 0 HA PRO A 159 -13.354 3.218 6.940 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.529 6.023 6.689 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.670 4.912 5.955 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.023 6.649 8.367 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.240 6.030 7.268 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.810 5.017 9.856 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.614 4.120 8.583 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.136 5.198 9.231 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.819 5.591 9.800 1.00 0.02 C ATOM 2557 C VAL A 160 -10.063 4.328 10.221 1.00 0.02 C ATOM 2558 O VAL A 160 -8.858 4.338 10.366 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.037 6.491 11.016 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.685 6.863 11.625 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -11.763 7.767 10.582 1.00 0.74 C ATOM 0 H VAL A 160 -12.952 5.562 9.723 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.239 6.134 9.053 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.637 5.961 11.755 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.841 7.505 12.492 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.163 5.957 11.933 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.086 7.393 10.884 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -11.919 8.410 11.449 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.161 8.295 9.843 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.727 7.506 10.145 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.754 3.238 10.418 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.043 1.994 10.822 1.00 0.01 C ATOM 2573 C ASP A 161 -9.122 1.530 9.687 1.00 0.01 C ATOM 2574 O ASP A 161 -8.222 0.740 9.891 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.063 0.897 11.133 1.00 0.00 C ATOM 2576 CG ASP A 161 -12.114 1.441 12.105 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -11.973 2.579 12.522 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -13.038 0.709 12.417 1.00 0.00 O ATOM 0 H ASP A 161 -11.766 3.156 10.318 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.445 2.196 11.711 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.542 0.559 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -10.562 0.032 11.568 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.320 2.040 8.493 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.431 1.652 7.349 1.00 0.01 C ATOM 2585 C TRP A 162 -7.346 2.726 7.201 1.00 0.01 C ATOM 2586 O TRP A 162 -6.610 2.735 6.234 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.239 1.603 6.024 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.743 0.225 5.659 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.231 -0.983 6.034 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.866 -0.079 4.780 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.981 -1.986 5.450 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.996 -1.481 4.671 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.779 0.728 4.078 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.994 -2.063 3.891 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.787 0.146 3.292 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.893 -1.248 3.198 1.00 0.01 C ATOM 0 H TRP A 162 -10.057 2.706 8.261 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.001 0.670 7.547 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.090 2.280 6.104 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.611 1.975 5.214 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.379 -1.131 6.681 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.803 -2.982 5.581 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -11.704 1.803 4.144 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -12.072 -3.138 3.823 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.483 0.776 2.758 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.668 -1.692 2.591 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.219 3.616 8.141 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.160 4.651 8.023 1.00 0.01 C ATOM 2609 C GLY A 163 -6.587 5.723 7.018 1.00 0.01 C ATOM 2610 O GLY A 163 -5.792 6.529 6.579 1.00 0.01 O ATOM 0 H GLY A 163 -7.797 3.672 8.979 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -5.974 5.106 8.996 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.225 4.192 7.702 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.839 5.715 6.629 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.332 6.707 5.622 1.00 0.02 C ATOM 2616 C ALA A 164 -9.071 7.844 6.322 1.00 0.01 C ATOM 2617 O ALA A 164 -9.791 7.644 7.282 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.316 6.004 4.686 1.00 0.01 C ATOM 0 H ALA A 164 -8.544 5.061 6.968 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.482 7.108 5.069 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.685 6.714 3.946 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.812 5.181 4.180 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.154 5.615 5.265 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.896 9.040 5.833 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.576 10.216 6.442 1.00 0.01 C ATOM 2626 C ALA A 165 -10.993 10.357 5.875 1.00 0.02 C ATOM 2627 O ALA A 165 -11.776 11.150 6.359 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.787 11.488 6.129 1.00 0.59 C ATOM 0 H ALA A 165 -8.305 9.254 5.030 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.629 10.069 7.521 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.288 12.346 6.577 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.780 11.402 6.538 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.729 11.624 5.049 1.00 0.59 H new ATOM 2634 N SER A 166 -11.348 9.592 4.867 1.00 0.01 N ATOM 2635 CA SER A 166 -12.729 9.684 4.295 1.00 0.01 C ATOM 2636 C SER A 166 -13.182 8.273 3.857 1.00 0.02 C ATOM 2637 O SER A 166 -12.358 7.462 3.485 1.00 0.01 O ATOM 2638 CB SER A 166 -12.713 10.611 3.079 1.00 0.72 C ATOM 2639 OG SER A 166 -12.193 9.909 1.959 1.00 0.87 O ATOM 0 H SER A 166 -10.740 8.908 4.417 1.00 0.01 H new ATOM 0 HA SER A 166 -13.416 10.080 5.043 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.721 10.965 2.864 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.104 11.491 3.286 1.00 0.72 H new ATOM 0 HG SER A 166 -12.183 10.501 1.178 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.468 7.965 3.876 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.937 6.611 3.443 1.00 0.01 C ATOM 2647 C PRO A 167 -14.925 6.454 1.914 1.00 0.01 C ATOM 2648 O PRO A 167 -15.639 5.635 1.359 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.378 6.596 3.977 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.813 8.058 4.149 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.541 8.905 4.328 1.00 0.22 C ATOM 0 HA PRO A 167 -14.307 5.801 3.809 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.040 6.077 3.284 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.431 6.064 4.927 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.377 8.394 3.279 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.468 8.163 5.014 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.568 9.812 3.725 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.401 9.215 5.364 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.158 7.255 1.227 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.152 7.169 -0.262 1.00 0.01 C ATOM 2661 C ALA A 168 -13.227 6.053 -0.758 1.00 0.01 C ATOM 2662 O ALA A 168 -12.047 6.006 -0.473 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.669 8.502 -0.839 1.00 0.18 C ATOM 0 H ALA A 168 -13.539 7.960 1.627 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.167 6.947 -0.592 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.662 8.446 -1.928 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.339 9.300 -0.521 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.661 8.710 -0.480 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.799 5.166 -1.529 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.046 4.020 -2.123 1.00 0.01 C ATOM 2671 C ILE A 169 -13.627 3.797 -3.519 1.00 0.01 C ATOM 2672 O ILE A 169 -14.822 3.642 -3.669 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.260 2.749 -1.269 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -13.156 3.066 0.240 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.221 1.693 -1.642 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -11.721 3.444 0.652 1.00 3.99 C ATOM 0 H ILE A 169 -14.788 5.189 -1.779 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.977 4.230 -2.161 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.261 2.369 -1.472 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -13.832 3.885 0.486 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.482 2.200 0.816 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.377 0.800 -1.037 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.323 1.439 -2.697 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.221 2.086 -1.458 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -11.694 3.659 1.720 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -11.049 2.615 0.431 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.403 4.326 0.096 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.810 3.813 -4.554 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.340 3.640 -5.946 1.00 0.01 C ATOM 2690 C GLN A 170 -12.932 2.297 -6.563 1.00 0.02 C ATOM 2691 O GLN A 170 -13.587 1.835 -7.474 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.818 4.776 -6.831 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.310 6.117 -6.285 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.819 6.236 -6.509 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.258 6.647 -7.564 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.637 5.891 -5.552 1.00 5.17 N ATOM 0 H GLN A 170 -11.800 3.939 -4.491 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.428 3.661 -5.887 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.728 4.760 -6.857 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.163 4.640 -7.856 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.082 6.195 -5.222 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.792 6.937 -6.783 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.268 5.546 -4.666 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.645 5.967 -5.690 1.00 5.17 H new ATOM 2705 N SER A 171 -11.891 1.637 -6.117 1.00 0.01 N ATOM 2706 CA SER A 171 -11.550 0.328 -6.763 1.00 0.01 C ATOM 2707 C SER A 171 -10.719 -0.525 -5.802 1.00 0.01 C ATOM 2708 O SER A 171 -10.105 -0.022 -4.883 1.00 0.01 O ATOM 2709 CB SER A 171 -10.745 0.586 -8.039 1.00 0.01 C ATOM 2710 OG SER A 171 -9.367 0.707 -7.706 1.00 0.02 O ATOM 0 H SER A 171 -11.278 1.934 -5.358 1.00 0.01 H new ATOM 0 HA SER A 171 -12.470 -0.202 -7.009 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.890 -0.231 -8.746 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.095 1.496 -8.526 1.00 0.01 H new ATOM 0 HG SER A 171 -9.022 1.559 -8.047 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.669 -1.817 -6.023 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.844 -2.690 -5.132 1.00 0.01 C ATOM 2718 C PHE A 172 -9.390 -3.951 -5.878 1.00 0.01 C ATOM 2719 O PHE A 172 -9.997 -4.367 -6.846 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.625 -3.053 -3.860 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.912 -3.777 -4.184 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -11.881 -5.123 -4.555 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.137 -3.107 -4.079 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.075 -5.801 -4.827 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.331 -3.785 -4.345 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.300 -5.132 -4.720 1.00 1.92 C ATOM 0 H PHE A 172 -11.160 -2.301 -6.775 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.953 -2.136 -4.836 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.006 -3.680 -3.219 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.849 -2.146 -3.299 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -10.936 -5.641 -4.632 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.160 -2.066 -3.792 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.051 -6.840 -5.119 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.276 -3.269 -4.261 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.221 -5.656 -4.927 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.302 -4.547 -5.449 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.781 -5.767 -6.146 1.00 0.01 C ATOM 2738 C ARG A 173 -7.150 -6.735 -5.140 1.00 0.01 C ATOM 2739 O ARG A 173 -6.641 -6.341 -4.110 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.695 -5.365 -7.148 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.266 -4.436 -8.224 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.339 -4.437 -9.448 1.00 0.01 C ATOM 2743 NE ARG A 173 -6.597 -5.659 -10.261 1.00 0.01 N ATOM 2744 CZ ARG A 173 -6.140 -5.739 -11.480 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -5.459 -4.748 -11.987 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -6.363 -6.812 -12.192 1.00 0.01 N ATOM 0 H ARG A 173 -7.752 -4.241 -4.646 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.618 -6.248 -6.652 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.879 -4.866 -6.626 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.277 -6.257 -7.615 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.265 -4.765 -8.511 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.365 -3.424 -7.831 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.510 -3.544 -10.049 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.297 -4.412 -9.129 1.00 0.01 H new ATOM 0 HE ARG A 173 -7.131 -6.432 -9.864 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -5.284 -3.912 -11.430 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -5.101 -4.810 -12.940 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -6.894 -7.587 -11.794 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -6.006 -6.875 -13.145 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.171 -8.004 -5.453 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.562 -9.023 -4.546 1.00 0.01 C ATOM 2762 C ARG A 174 -5.073 -9.183 -4.887 1.00 0.01 C ATOM 2763 O ARG A 174 -4.686 -9.150 -6.038 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.262 -10.370 -4.741 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.416 -10.656 -6.236 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.912 -12.090 -6.439 1.00 0.01 C ATOM 2767 NE ARG A 174 -6.990 -13.037 -5.753 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.360 -14.269 -5.541 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.539 -14.673 -5.928 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -6.550 -15.099 -4.942 1.00 0.01 N ATOM 0 H ARG A 174 -7.587 -8.381 -6.304 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.675 -8.696 -3.512 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.685 -11.163 -4.266 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.240 -10.356 -4.260 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -8.119 -9.952 -6.680 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.461 -10.516 -6.743 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -8.921 -12.197 -6.042 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -7.962 -12.321 -7.503 1.00 0.01 H new ATOM 0 HE ARG A 174 -6.069 -12.722 -5.449 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -9.172 -14.025 -6.397 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -8.828 -15.637 -5.762 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -5.628 -14.784 -4.640 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -6.839 -16.063 -4.776 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.238 -9.383 -3.899 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.777 -9.573 -4.185 1.00 0.01 C ATOM 2786 C ILE A 175 -2.487 -11.071 -4.308 1.00 0.00 C ATOM 2787 O ILE A 175 -2.842 -11.849 -3.445 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.910 -8.999 -3.059 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.367 -7.579 -2.708 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.451 -8.956 -3.528 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.383 -6.955 -1.707 1.00 3.04 C ATOM 0 H ILE A 175 -4.498 -9.423 -2.914 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.538 -9.050 -5.111 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.006 -9.630 -2.176 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.420 -6.969 -3.610 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.370 -7.604 -2.281 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.175 -8.549 -2.734 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.117 -9.965 -3.772 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.372 -8.324 -4.412 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.709 -5.945 -1.458 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.353 -7.560 -0.801 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.388 -6.916 -2.151 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.843 -11.482 -5.372 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.522 -12.933 -5.558 1.00 0.00 C ATOM 2805 C VAL A 176 -0.080 -13.079 -6.047 1.00 0.01 C ATOM 2806 O VAL A 176 0.427 -12.246 -6.774 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.461 -13.539 -6.603 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.322 -12.773 -7.919 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.094 -15.007 -6.828 1.00 1.89 C ATOM 0 H VAL A 176 -1.524 -10.872 -6.125 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.646 -13.450 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.490 -13.471 -6.249 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.991 -13.205 -8.664 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.583 -11.727 -7.760 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.293 -12.841 -8.273 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.763 -15.439 -7.572 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -1.065 -15.075 -7.182 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -2.192 -15.554 -5.891 1.00 1.89 H new ATOM 2819 N GLU A 177 0.586 -14.132 -5.654 1.00 0.01 N ATOM 2820 CA GLU A 177 1.996 -14.337 -6.093 1.00 0.01 C ATOM 2821 C GLU A 177 2.804 -13.066 -5.825 1.00 0.01 C ATOM 2822 CB GLU A 177 2.024 -14.653 -7.588 1.00 2.15 C ATOM 2823 CG GLU A 177 3.429 -15.101 -7.992 1.00 3.19 C ATOM 2824 CD GLU A 177 3.473 -15.351 -9.501 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.758 -14.414 -10.229 1.00 4.77 O ATOM 2826 OE2 GLU A 177 3.217 -16.474 -9.902 1.00 4.89 O ATOM 0 H GLU A 177 0.213 -14.861 -5.046 1.00 0.01 H new ATOM 0 HA GLU A 177 2.432 -15.168 -5.538 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.302 -15.436 -7.818 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.733 -13.773 -8.161 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.158 -14.338 -7.718 1.00 3.19 H new ATOM 0 HG3 GLU A 177 3.701 -16.009 -7.454 1.00 3.19 H new