USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 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 38 TYR OH : rot 27:sc= 0.519 USER MOD Set 1.2: A 98 HIS :FLIP no HE2:sc= 0.0724 F(o=-0.023,f=0.59) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 80:sc= 0.502 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 25 TYR OH : rot -15:sc= -0.29 USER MOD Single : A 27 GLN : amide:sc= -0.979 K(o=-0.98,f=-5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 31:sc= -2.41 USER MOD Single : A 40 ASN :FLIP amide:sc= 1.19 F(o=0.019,f=1.2) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.35) USER MOD Single : A 49 GLN : amide:sc=-0.00318 K(o=-0.0032,f=-0.9) USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.32 (180deg=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 67 LYS NZ :NH3+ -135:sc= 0.164 (180deg=-0.000705) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0.432 (180deg=0.345) USER MOD Single : A 78 SER OG : rot -178:sc= 0.0982 USER MOD Single : A 80 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 82:sc= 0.644 USER MOD Single : A 111 THR OG1 : rot 76:sc= -0.741 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 10 -15.516 -15.143 -1.760 1.00 0.00 N ATOM 19 CA SER A 10 -15.191 -15.295 -3.178 1.00 0.00 C ATOM 20 C SER A 10 -15.416 -13.997 -3.950 1.00 0.00 C ATOM 21 O SER A 10 -14.489 -13.483 -4.571 1.00 0.00 O ATOM 22 CB SER A 10 -15.999 -16.430 -3.813 1.00 0.00 C ATOM 23 OG SER A 10 -15.241 -17.102 -4.805 1.00 0.00 O ATOM 0 HA SER A 10 -14.132 -15.546 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.305 -17.138 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.910 -16.028 -4.257 1.00 0.00 H new ATOM 0 HG SER A 10 -15.778 -17.823 -5.194 1.00 0.00 H new ATOM 29 N ALA A 11 -16.643 -13.467 -3.909 1.00 0.00 N ATOM 30 CA ALA A 11 -16.963 -12.221 -4.612 1.00 0.00 C ATOM 31 C ALA A 11 -15.968 -11.117 -4.262 1.00 0.00 C ATOM 32 O ALA A 11 -15.584 -10.321 -5.118 1.00 0.00 O ATOM 33 CB ALA A 11 -18.382 -11.777 -4.293 1.00 0.00 C ATOM 0 H ALA A 11 -17.426 -13.878 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.889 -12.413 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.601 -10.851 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.084 -12.550 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.479 -11.612 -3.220 1.00 0.00 H new ATOM 39 N PHE A 12 -15.542 -11.089 -3.001 1.00 0.00 N ATOM 40 CA PHE A 12 -14.576 -10.100 -2.540 1.00 0.00 C ATOM 41 C PHE A 12 -13.145 -10.599 -2.745 1.00 0.00 C ATOM 42 O PHE A 12 -12.245 -9.814 -3.046 1.00 0.00 O ATOM 43 CB PHE A 12 -14.810 -9.780 -1.060 1.00 0.00 C ATOM 44 CG PHE A 12 -14.677 -8.319 -0.728 1.00 0.00 C ATOM 45 CD1 PHE A 12 -13.483 -7.645 -0.940 1.00 0.00 C ATOM 46 CD2 PHE A 12 -15.748 -7.620 -0.195 1.00 0.00 C ATOM 47 CE1 PHE A 12 -13.363 -6.305 -0.627 1.00 0.00 C ATOM 48 CE2 PHE A 12 -15.632 -6.281 0.120 1.00 0.00 C ATOM 49 CZ PHE A 12 -14.439 -5.622 -0.096 1.00 0.00 C ATOM 0 H PHE A 12 -15.852 -11.742 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.713 -9.192 -3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.807 -10.118 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.099 -10.346 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.638 -8.174 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.685 -8.129 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.428 -5.792 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.475 -5.749 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.347 -4.574 0.150 1.00 0.00 H new ATOM 59 N VAL A 13 -12.940 -11.909 -2.583 1.00 0.00 N ATOM 60 CA VAL A 13 -11.618 -12.509 -2.753 1.00 0.00 C ATOM 61 C VAL A 13 -11.119 -12.348 -4.192 1.00 0.00 C ATOM 62 O VAL A 13 -9.980 -11.935 -4.416 1.00 0.00 O ATOM 63 CB VAL A 13 -11.615 -14.010 -2.373 1.00 0.00 C ATOM 64 CG1 VAL A 13 -10.202 -14.577 -2.434 1.00 0.00 C ATOM 65 CG2 VAL A 13 -12.214 -14.217 -0.985 1.00 0.00 C ATOM 0 H VAL A 13 -13.674 -12.573 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.945 -11.979 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.232 -14.544 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.222 -15.633 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.810 -14.469 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.562 -14.036 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.202 -15.279 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.627 -13.667 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.242 -13.854 -0.974 1.00 0.00 H new ATOM 75 N THR A 14 -11.977 -12.674 -5.159 1.00 0.00 N ATOM 76 CA THR A 14 -11.620 -12.562 -6.572 1.00 0.00 C ATOM 77 C THR A 14 -11.438 -11.100 -6.980 1.00 0.00 C ATOM 78 O THR A 14 -10.455 -10.754 -7.636 1.00 0.00 O ATOM 79 CB THR A 14 -12.687 -13.220 -7.455 1.00 0.00 C ATOM 80 OG1 THR A 14 -13.071 -14.480 -6.933 1.00 0.00 O ATOM 81 CG2 THR A 14 -12.230 -13.435 -8.882 1.00 0.00 C ATOM 0 H THR A 14 -12.922 -13.017 -4.989 1.00 0.00 H new ATOM 0 HA THR A 14 -10.673 -13.082 -6.715 1.00 0.00 H new ATOM 0 HB THR A 14 -13.526 -12.525 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.707 -14.350 -6.199 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.031 -13.904 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.977 -12.475 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.352 -14.081 -8.890 1.00 0.00 H new ATOM 89 N LYS A 15 -12.388 -10.246 -6.588 1.00 0.00 N ATOM 90 CA LYS A 15 -12.323 -8.821 -6.918 1.00 0.00 C ATOM 91 C LYS A 15 -11.039 -8.188 -6.382 1.00 0.00 C ATOM 92 O LYS A 15 -10.431 -7.345 -7.042 1.00 0.00 O ATOM 93 CB LYS A 15 -13.546 -8.080 -6.368 1.00 0.00 C ATOM 94 CG LYS A 15 -14.778 -8.205 -7.251 1.00 0.00 C ATOM 95 CD LYS A 15 -16.002 -7.576 -6.603 1.00 0.00 C ATOM 96 CE LYS A 15 -17.257 -8.384 -6.893 1.00 0.00 C ATOM 97 NZ LYS A 15 -18.302 -8.183 -5.852 1.00 0.00 N ATOM 0 H LYS A 15 -13.208 -10.516 -6.044 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.320 -8.733 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.779 -8.466 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.299 -7.025 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.588 -7.725 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.975 -9.258 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.851 -7.508 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.129 -6.558 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.655 -8.098 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.002 -9.442 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.141 -8.751 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.932 -8.479 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.565 -7.178 -5.814 1.00 0.00 H new ATOM 111 N ALA A 16 -10.626 -8.610 -5.184 1.00 0.00 N ATOM 112 CA ALA A 16 -9.405 -8.094 -4.565 1.00 0.00 C ATOM 113 C ALA A 16 -8.177 -8.465 -5.393 1.00 0.00 C ATOM 114 O ALA A 16 -7.318 -7.622 -5.654 1.00 0.00 O ATOM 115 CB ALA A 16 -9.262 -8.622 -3.142 1.00 0.00 C ATOM 0 H ALA A 16 -11.119 -9.306 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.478 -7.007 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.348 -8.228 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.120 -8.306 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.216 -9.711 -3.161 1.00 0.00 H new ATOM 121 N GLU A 17 -8.106 -9.731 -5.806 1.00 0.00 N ATOM 122 CA GLU A 17 -6.986 -10.220 -6.611 1.00 0.00 C ATOM 123 C GLU A 17 -6.989 -9.587 -8.001 1.00 0.00 C ATOM 124 O GLU A 17 -5.933 -9.268 -8.544 1.00 0.00 O ATOM 125 CB GLU A 17 -7.034 -11.745 -6.732 1.00 0.00 C ATOM 126 CG GLU A 17 -6.444 -12.467 -5.532 1.00 0.00 C ATOM 127 CD GLU A 17 -5.024 -12.936 -5.780 1.00 0.00 C ATOM 128 OE1 GLU A 17 -4.098 -12.102 -5.688 1.00 0.00 O ATOM 129 OE2 GLU A 17 -4.835 -14.136 -6.067 1.00 0.00 O ATOM 0 H GLU A 17 -8.812 -10.437 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.064 -9.934 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.070 -12.059 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.494 -12.048 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.458 -11.802 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.069 -13.325 -5.284 1.00 0.00 H new ATOM 136 N GLU A 18 -8.182 -9.407 -8.572 1.00 0.00 N ATOM 137 CA GLU A 18 -8.315 -8.806 -9.897 1.00 0.00 C ATOM 138 C GLU A 18 -7.773 -7.375 -9.909 1.00 0.00 C ATOM 139 O GLU A 18 -7.152 -6.948 -10.883 1.00 0.00 O ATOM 140 CB GLU A 18 -9.780 -8.819 -10.346 1.00 0.00 C ATOM 141 CG GLU A 18 -10.203 -10.125 -11.000 1.00 0.00 C ATOM 142 CD GLU A 18 -11.709 -10.264 -11.120 1.00 0.00 C ATOM 143 OE1 GLU A 18 -12.386 -10.339 -10.071 1.00 0.00 O ATOM 144 OE2 GLU A 18 -12.211 -10.302 -12.263 1.00 0.00 O ATOM 0 H GLU A 18 -9.067 -9.669 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.726 -9.400 -10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.418 -8.631 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.944 -8.001 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.757 -10.190 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.811 -10.960 -10.419 1.00 0.00 H new ATOM 151 N MET A 19 -8.013 -6.638 -8.822 1.00 0.00 N ATOM 152 CA MET A 19 -7.550 -5.258 -8.711 1.00 0.00 C ATOM 153 C MET A 19 -6.024 -5.186 -8.665 1.00 0.00 C ATOM 154 O MET A 19 -5.413 -4.392 -9.380 1.00 0.00 O ATOM 155 CB MET A 19 -8.141 -4.592 -7.466 1.00 0.00 C ATOM 156 CG MET A 19 -8.282 -3.083 -7.594 1.00 0.00 C ATOM 157 SD MET A 19 -9.975 -2.567 -7.951 1.00 0.00 S ATOM 158 CE MET A 19 -9.844 -2.143 -9.686 1.00 0.00 C ATOM 0 H MET A 19 -8.526 -6.976 -8.008 1.00 0.00 H new ATOM 0 HA MET A 19 -7.891 -4.723 -9.597 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.121 -5.024 -7.263 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.508 -4.818 -6.608 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.951 -2.612 -6.669 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.624 -2.727 -8.386 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.813 -1.805 -10.052 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.111 -1.346 -9.811 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.528 -3.019 -10.252 1.00 0.00 H new ATOM 168 N ILE A 20 -5.412 -6.022 -7.821 1.00 0.00 N ATOM 169 CA ILE A 20 -3.962 -6.053 -7.685 1.00 0.00 C ATOM 170 C ILE A 20 -3.296 -6.727 -8.889 1.00 0.00 C ATOM 171 O ILE A 20 -2.083 -6.610 -9.078 1.00 0.00 O ATOM 172 CB ILE A 20 -3.535 -6.780 -6.394 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.092 -8.209 -6.357 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.986 -5.997 -5.167 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.543 -9.045 -5.221 1.00 0.00 C ATOM 0 H ILE A 20 -5.904 -6.686 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.631 -5.016 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.447 -6.843 -6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.178 -8.165 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.866 -8.703 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.676 -6.524 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.533 -5.006 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.072 -5.900 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.981 -10.042 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.460 -9.121 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.792 -8.575 -4.270 1.00 0.00 H new ATOM 187 N LYS A 21 -4.090 -7.433 -9.698 1.00 0.00 N ATOM 188 CA LYS A 21 -3.573 -8.120 -10.878 1.00 0.00 C ATOM 189 C LYS A 21 -2.959 -7.124 -11.861 1.00 0.00 C ATOM 190 O LYS A 21 -1.764 -7.184 -12.149 1.00 0.00 O ATOM 191 CB LYS A 21 -4.694 -8.902 -11.566 1.00 0.00 C ATOM 192 CG LYS A 21 -4.228 -10.196 -12.217 1.00 0.00 C ATOM 193 CD LYS A 21 -5.349 -11.222 -12.293 1.00 0.00 C ATOM 194 CE LYS A 21 -5.768 -11.489 -13.732 1.00 0.00 C ATOM 195 NZ LYS A 21 -6.005 -12.940 -13.985 1.00 0.00 N ATOM 0 H LYS A 21 -5.094 -7.542 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.796 -8.813 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.467 -9.133 -10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.153 -8.269 -12.325 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.858 -9.986 -13.221 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.394 -10.609 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.023 -12.153 -11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.208 -10.866 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.676 -10.929 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.995 -11.125 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.288 -13.078 -14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.132 -13.472 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.761 -13.283 -13.358 1.00 0.00 H new ATOM 209 N SER A 22 -3.785 -6.204 -12.362 1.00 0.00 N ATOM 210 CA SER A 22 -3.327 -5.183 -13.304 1.00 0.00 C ATOM 211 C SER A 22 -2.709 -3.999 -12.564 1.00 0.00 C ATOM 212 O SER A 22 -1.952 -3.221 -13.148 1.00 0.00 O ATOM 213 CB SER A 22 -4.486 -4.704 -14.182 1.00 0.00 C ATOM 214 OG SER A 22 -4.029 -3.836 -15.209 1.00 0.00 O ATOM 0 H SER A 22 -4.777 -6.146 -12.130 1.00 0.00 H new ATOM 0 HA SER A 22 -2.564 -5.631 -13.941 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.989 -5.563 -14.626 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.222 -4.187 -13.566 1.00 0.00 H new ATOM 0 HG SER A 22 -4.789 -3.547 -15.755 1.00 0.00 H new ATOM 220 N HIS A 23 -3.030 -3.869 -11.276 1.00 0.00 N ATOM 221 CA HIS A 23 -2.496 -2.784 -10.464 1.00 0.00 C ATOM 222 C HIS A 23 -1.739 -3.334 -9.256 1.00 0.00 C ATOM 223 O HIS A 23 -2.171 -3.176 -8.113 1.00 0.00 O ATOM 224 CB HIS A 23 -3.622 -1.850 -10.008 1.00 0.00 C ATOM 225 CG HIS A 23 -4.343 -1.181 -11.138 1.00 0.00 C ATOM 226 ND1 HIS A 23 -3.692 -0.572 -12.191 1.00 0.00 N ATOM 227 CD2 HIS A 23 -5.665 -1.028 -11.376 1.00 0.00 C ATOM 228 CE1 HIS A 23 -4.586 -0.072 -13.026 1.00 0.00 C ATOM 229 NE2 HIS A 23 -5.790 -0.337 -12.555 1.00 0.00 N ATOM 0 H HIS A 23 -3.656 -4.502 -10.777 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.797 -2.213 -11.076 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.339 -2.421 -9.418 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.205 -1.086 -9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.473 -1.384 -10.754 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.368 0.463 -13.939 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.671 -0.071 -12.996 1.00 0.00 H new ATOM 238 N PRO A 24 -0.587 -3.990 -9.501 1.00 0.00 N ATOM 239 CA PRO A 24 0.241 -4.566 -8.433 1.00 0.00 C ATOM 240 C PRO A 24 0.878 -3.498 -7.542 1.00 0.00 C ATOM 241 O PRO A 24 1.216 -3.765 -6.390 1.00 0.00 O ATOM 242 CB PRO A 24 1.316 -5.344 -9.197 1.00 0.00 C ATOM 243 CG PRO A 24 1.395 -4.682 -10.528 1.00 0.00 C ATOM 244 CD PRO A 24 -0.001 -4.220 -10.837 1.00 0.00 C ATOM 0 HA PRO A 24 -0.346 -5.182 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.274 -5.306 -8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.048 -6.396 -9.294 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.089 -3.842 -10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.755 -5.374 -11.289 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.000 -3.310 -11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.558 -4.971 -11.397 1.00 0.00 H new ATOM 252 N TYR A 25 1.037 -2.287 -8.083 1.00 0.00 N ATOM 253 CA TYR A 25 1.627 -1.181 -7.335 1.00 0.00 C ATOM 254 C TYR A 25 0.537 -0.361 -6.643 1.00 0.00 C ATOM 255 O TYR A 25 0.269 0.783 -7.018 1.00 0.00 O ATOM 256 CB TYR A 25 2.449 -0.290 -8.271 1.00 0.00 C ATOM 257 CG TYR A 25 3.898 -0.712 -8.412 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.237 -2.024 -8.728 1.00 0.00 C ATOM 259 CD2 TYR A 25 4.924 0.207 -8.232 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.559 -2.404 -8.860 1.00 0.00 C ATOM 261 CE2 TYR A 25 6.247 -0.169 -8.363 1.00 0.00 C ATOM 262 CZ TYR A 25 6.559 -1.474 -8.675 1.00 0.00 C ATOM 263 OH TYR A 25 7.875 -1.850 -8.803 1.00 0.00 O ATOM 0 H TYR A 25 0.764 -2.051 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 25 2.287 -1.591 -6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.984 -0.290 -9.257 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.414 0.735 -7.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.456 -2.756 -8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.684 1.231 -7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.807 -3.426 -9.107 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.034 0.557 -8.221 1.00 0.00 H new ATOM 0 HH TYR A 25 7.939 -2.828 -8.785 1.00 0.00 H new ATOM 273 N PHE A 26 -0.094 -0.961 -5.636 1.00 0.00 N ATOM 274 CA PHE A 26 -1.161 -0.297 -4.892 1.00 0.00 C ATOM 275 C PHE A 26 -0.708 0.069 -3.482 1.00 0.00 C ATOM 276 O PHE A 26 -0.021 -0.710 -2.818 1.00 0.00 O ATOM 277 CB PHE A 26 -2.399 -1.196 -4.824 1.00 0.00 C ATOM 278 CG PHE A 26 -3.638 -0.561 -5.390 1.00 0.00 C ATOM 279 CD1 PHE A 26 -4.346 0.381 -4.662 1.00 0.00 C ATOM 280 CD2 PHE A 26 -4.094 -0.909 -6.652 1.00 0.00 C ATOM 281 CE1 PHE A 26 -5.487 0.964 -5.181 1.00 0.00 C ATOM 282 CE2 PHE A 26 -5.234 -0.329 -7.176 1.00 0.00 C ATOM 283 CZ PHE A 26 -5.931 0.608 -6.439 1.00 0.00 C ATOM 0 H PHE A 26 0.116 -1.907 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.413 0.623 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.196 -2.121 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.583 -1.468 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.003 0.663 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.552 -1.641 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.030 1.697 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.579 -0.608 -8.161 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.822 1.062 -6.846 1.00 0.00 H new ATOM 293 N GLN A 27 -1.106 1.256 -3.029 1.00 0.00 N ATOM 294 CA GLN A 27 -0.749 1.730 -1.697 1.00 0.00 C ATOM 295 C GLN A 27 -1.992 2.188 -0.934 1.00 0.00 C ATOM 296 O GLN A 27 -2.487 3.298 -1.145 1.00 0.00 O ATOM 297 CB GLN A 27 0.269 2.872 -1.794 1.00 0.00 C ATOM 298 CG GLN A 27 1.590 2.567 -1.109 1.00 0.00 C ATOM 299 CD GLN A 27 2.761 3.324 -1.713 1.00 0.00 C ATOM 300 OE1 GLN A 27 2.667 3.867 -2.814 1.00 0.00 O ATOM 301 NE2 GLN A 27 3.879 3.362 -0.994 1.00 0.00 N ATOM 0 H GLN A 27 -1.677 1.907 -3.568 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.297 0.904 -1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.456 3.093 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.162 3.770 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.510 2.816 -0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.786 1.497 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.917 2.899 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.698 3.854 -1.351 1.00 0.00 H new ATOM 310 N LEU A 28 -2.490 1.322 -0.051 1.00 0.00 N ATOM 311 CA LEU A 28 -3.674 1.634 0.744 1.00 0.00 C ATOM 312 C LEU A 28 -3.311 2.549 1.911 1.00 0.00 C ATOM 313 O LEU A 28 -2.892 2.084 2.974 1.00 0.00 O ATOM 314 CB LEU A 28 -4.329 0.347 1.258 1.00 0.00 C ATOM 315 CG LEU A 28 -5.475 -0.182 0.391 1.00 0.00 C ATOM 316 CD1 LEU A 28 -5.546 -1.699 0.467 1.00 0.00 C ATOM 317 CD2 LEU A 28 -6.798 0.438 0.816 1.00 0.00 C ATOM 0 H LEU A 28 -2.091 0.401 0.130 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.388 2.155 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.565 -0.426 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.707 0.525 2.265 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.281 0.101 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.366 -2.056 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.608 -2.125 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.715 -2.004 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.600 0.050 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.999 0.188 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.744 1.521 0.707 1.00 0.00 H new ATOM 329 N SER A 29 -3.468 3.853 1.699 1.00 0.00 N ATOM 330 CA SER A 29 -3.157 4.846 2.722 1.00 0.00 C ATOM 331 C SER A 29 -4.433 5.377 3.374 1.00 0.00 C ATOM 332 O SER A 29 -5.504 5.355 2.766 1.00 0.00 O ATOM 333 CB SER A 29 -2.354 6.001 2.115 1.00 0.00 C ATOM 334 OG SER A 29 -3.055 6.608 1.042 1.00 0.00 O ATOM 0 H SER A 29 -3.811 4.248 0.823 1.00 0.00 H new ATOM 0 HA SER A 29 -2.555 4.363 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.146 6.745 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.392 5.631 1.761 1.00 0.00 H new ATOM 0 HG SER A 29 -2.520 7.342 0.675 1.00 0.00 H new ATOM 340 N ALA A 30 -4.311 5.852 4.613 1.00 0.00 N ATOM 341 CA ALA A 30 -5.456 6.389 5.347 1.00 0.00 C ATOM 342 C ALA A 30 -5.488 7.911 5.282 1.00 0.00 C ATOM 343 O ALA A 30 -4.443 8.564 5.319 1.00 0.00 O ATOM 344 CB ALA A 30 -5.422 5.926 6.797 1.00 0.00 C ATOM 0 H ALA A 30 -3.432 5.876 5.129 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.363 6.010 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.281 6.334 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.457 4.837 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.503 6.275 7.269 1.00 0.00 H new ATOM 350 N SER A 31 -6.693 8.472 5.196 1.00 0.00 N ATOM 351 CA SER A 31 -6.864 9.923 5.139 1.00 0.00 C ATOM 352 C SER A 31 -7.129 10.499 6.537 1.00 0.00 C ATOM 353 O SER A 31 -7.908 11.443 6.694 1.00 0.00 O ATOM 354 CB SER A 31 -8.012 10.283 4.188 1.00 0.00 C ATOM 355 OG SER A 31 -7.842 11.587 3.657 1.00 0.00 O ATOM 0 H SER A 31 -7.565 7.944 5.164 1.00 0.00 H new ATOM 0 HA SER A 31 -5.941 10.362 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.056 9.558 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.962 10.224 4.720 1.00 0.00 H new ATOM 0 HG SER A 31 -8.585 11.793 3.052 1.00 0.00 H new ATOM 361 N TRP A 32 -6.470 9.926 7.549 1.00 0.00 N ATOM 362 CA TRP A 32 -6.625 10.379 8.930 1.00 0.00 C ATOM 363 C TRP A 32 -5.305 10.267 9.698 1.00 0.00 C ATOM 364 O TRP A 32 -4.887 11.214 10.364 1.00 0.00 O ATOM 365 CB TRP A 32 -7.715 9.572 9.645 1.00 0.00 C ATOM 366 CG TRP A 32 -8.844 10.414 10.162 1.00 0.00 C ATOM 367 CD1 TRP A 32 -10.149 10.363 9.766 1.00 0.00 C ATOM 368 CD2 TRP A 32 -8.768 11.432 11.169 1.00 0.00 C ATOM 369 NE1 TRP A 32 -10.890 11.285 10.465 1.00 0.00 N ATOM 370 CE2 TRP A 32 -10.067 11.953 11.331 1.00 0.00 C ATOM 371 CE3 TRP A 32 -7.732 11.954 11.950 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -10.354 12.968 12.240 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -8.019 12.961 12.853 1.00 0.00 C ATOM 374 CH2 TRP A 32 -9.322 13.459 12.993 1.00 0.00 C ATOM 0 H TRP A 32 -5.823 9.146 7.435 1.00 0.00 H new ATOM 0 HA TRP A 32 -6.921 11.428 8.903 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.114 8.827 8.957 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -7.267 9.029 10.477 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.542 9.696 9.013 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -11.891 11.446 10.356 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -6.725 11.577 11.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.357 13.355 12.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.226 13.371 13.461 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.515 14.245 13.708 1.00 0.00 H new ATOM 385 N CYS A 33 -4.652 9.105 9.599 1.00 0.00 N ATOM 386 CA CYS A 33 -3.380 8.874 10.286 1.00 0.00 C ATOM 387 C CYS A 33 -2.260 9.716 9.674 1.00 0.00 C ATOM 388 O CYS A 33 -2.153 9.825 8.450 1.00 0.00 O ATOM 389 CB CYS A 33 -3.002 7.391 10.227 1.00 0.00 C ATOM 390 SG CYS A 33 -3.917 6.347 11.387 1.00 0.00 S ATOM 0 H CYS A 33 -4.984 8.312 9.050 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.507 9.172 11.327 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.171 7.024 9.214 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.935 7.291 10.429 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.529 5.113 11.259 1.00 0.00 H new ATOM 396 N PRO A 34 -1.406 10.326 10.523 1.00 0.00 N ATOM 397 CA PRO A 34 -0.289 11.160 10.063 1.00 0.00 C ATOM 398 C PRO A 34 0.856 10.342 9.465 1.00 0.00 C ATOM 399 O PRO A 34 1.562 10.815 8.574 1.00 0.00 O ATOM 400 CB PRO A 34 0.174 11.868 11.336 1.00 0.00 C ATOM 401 CG PRO A 34 -0.208 10.948 12.445 1.00 0.00 C ATOM 402 CD PRO A 34 -1.464 10.247 11.998 1.00 0.00 C ATOM 0 HA PRO A 34 -0.596 11.836 9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.250 12.044 11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.307 12.840 11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.587 10.230 12.646 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.379 11.502 13.368 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.489 9.213 12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.356 10.736 12.390 1.00 0.00 H new ATOM 410 N ASP A 35 1.038 9.115 9.963 1.00 0.00 N ATOM 411 CA ASP A 35 2.102 8.235 9.476 1.00 0.00 C ATOM 412 C ASP A 35 1.958 7.974 7.976 1.00 0.00 C ATOM 413 O ASP A 35 2.953 7.881 7.257 1.00 0.00 O ATOM 414 CB ASP A 35 2.096 6.905 10.238 1.00 0.00 C ATOM 415 CG ASP A 35 2.584 7.042 11.670 1.00 0.00 C ATOM 416 OD1 ASP A 35 3.532 7.820 11.911 1.00 0.00 O ATOM 417 OD2 ASP A 35 2.017 6.365 12.555 1.00 0.00 O ATOM 0 H ASP A 35 0.463 8.710 10.702 1.00 0.00 H new ATOM 0 HA ASP A 35 3.053 8.739 9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.085 6.499 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.726 6.188 9.712 1.00 0.00 H new ATOM 422 N CYS A 36 0.713 7.871 7.512 1.00 0.00 N ATOM 423 CA CYS A 36 0.435 7.632 6.095 1.00 0.00 C ATOM 424 C CYS A 36 0.891 8.816 5.241 1.00 0.00 C ATOM 425 O CYS A 36 1.313 8.640 4.097 1.00 0.00 O ATOM 426 CB CYS A 36 -1.060 7.376 5.879 1.00 0.00 C ATOM 427 SG CYS A 36 -1.789 6.199 7.046 1.00 0.00 S ATOM 0 H CYS A 36 -0.119 7.949 8.096 1.00 0.00 H new ATOM 0 HA CYS A 36 0.994 6.749 5.787 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.594 8.323 5.955 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.211 7.005 4.865 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.167 6.275 8.185 1.00 0.00 H new ATOM 433 N VAL A 37 0.808 10.024 5.808 1.00 0.00 N ATOM 434 CA VAL A 37 1.220 11.235 5.099 1.00 0.00 C ATOM 435 C VAL A 37 2.689 11.158 4.674 1.00 0.00 C ATOM 436 O VAL A 37 3.049 11.620 3.590 1.00 0.00 O ATOM 437 CB VAL A 37 1.001 12.506 5.953 1.00 0.00 C ATOM 438 CG1 VAL A 37 1.282 13.754 5.127 1.00 0.00 C ATOM 439 CG2 VAL A 37 -0.415 12.540 6.519 1.00 0.00 C ATOM 0 H VAL A 37 0.460 10.187 6.753 1.00 0.00 H new ATOM 0 HA VAL A 37 0.592 11.301 4.210 1.00 0.00 H new ATOM 0 HB VAL A 37 1.698 12.483 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.124 14.640 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.314 13.734 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.609 13.782 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.547 13.442 7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.134 12.539 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.577 11.663 7.146 1.00 0.00 H new ATOM 449 N TYR A 38 3.532 10.564 5.523 1.00 0.00 N ATOM 450 CA TYR A 38 4.957 10.419 5.220 1.00 0.00 C ATOM 451 C TYR A 38 5.161 9.659 3.910 1.00 0.00 C ATOM 452 O TYR A 38 5.956 10.071 3.064 1.00 0.00 O ATOM 453 CB TYR A 38 5.679 9.690 6.357 1.00 0.00 C ATOM 454 CG TYR A 38 7.173 9.546 6.138 1.00 0.00 C ATOM 455 CD1 TYR A 38 7.695 8.453 5.453 1.00 0.00 C ATOM 456 CD2 TYR A 38 8.058 10.506 6.610 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.057 8.321 5.250 1.00 0.00 C ATOM 458 CE2 TYR A 38 9.420 10.380 6.412 1.00 0.00 C ATOM 459 CZ TYR A 38 9.915 9.289 5.731 1.00 0.00 C ATOM 460 OH TYR A 38 11.273 9.163 5.532 1.00 0.00 O ATOM 0 H TYR A 38 3.252 10.176 6.424 1.00 0.00 H new ATOM 0 HA TYR A 38 5.378 11.419 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.508 10.229 7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.241 8.699 6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.026 7.695 5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.676 11.365 7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.447 7.465 4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.094 11.134 6.790 1.00 0.00 H new ATOM 0 HH TYR A 38 11.437 8.633 4.724 1.00 0.00 H new ATOM 470 N ALA A 39 4.435 8.550 3.747 1.00 0.00 N ATOM 471 CA ALA A 39 4.535 7.734 2.536 1.00 0.00 C ATOM 472 C ALA A 39 4.157 8.542 1.295 1.00 0.00 C ATOM 473 O ALA A 39 4.718 8.335 0.219 1.00 0.00 O ATOM 474 CB ALA A 39 3.655 6.494 2.645 1.00 0.00 C ATOM 0 H ALA A 39 3.773 8.198 4.438 1.00 0.00 H new ATOM 0 HA ALA A 39 5.573 7.417 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.745 5.903 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.973 5.896 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.616 6.796 2.780 1.00 0.00 H new ATOM 480 N ASN A 40 3.212 9.473 1.456 1.00 0.00 N ATOM 481 CA ASN A 40 2.772 10.317 0.352 1.00 0.00 C ATOM 482 C ASN A 40 3.818 11.384 0.043 1.00 0.00 C ATOM 483 O ASN A 40 3.999 11.773 -1.111 1.00 0.00 O ATOM 484 CB ASN A 40 1.432 10.978 0.688 1.00 0.00 C ATOM 485 CG ASN A 40 0.252 10.081 0.363 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.020 9.078 1.203 1.00 0.00 O flip ATOM 487 ND2 ASN A 40 -0.443 10.288 -0.631 1.00 0.00 N flip ATOM 0 H ASN A 40 2.740 9.658 2.341 1.00 0.00 H new ATOM 0 HA ASN A 40 2.644 9.689 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.411 11.234 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.340 11.912 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.229 11.070 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.234 9.677 -0.837 1.00 0.00 H new ATOM 494 N SER A 41 4.511 11.849 1.083 1.00 0.00 N ATOM 495 CA SER A 41 5.543 12.864 0.919 1.00 0.00 C ATOM 496 C SER A 41 6.637 12.377 -0.029 1.00 0.00 C ATOM 497 O SER A 41 7.112 13.128 -0.883 1.00 0.00 O ATOM 498 CB SER A 41 6.149 13.235 2.276 1.00 0.00 C ATOM 499 OG SER A 41 5.366 14.216 2.936 1.00 0.00 O ATOM 0 H SER A 41 4.374 11.537 2.045 1.00 0.00 H new ATOM 0 HA SER A 41 5.080 13.751 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.223 12.344 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.163 13.610 2.134 1.00 0.00 H new ATOM 0 HG SER A 41 5.774 14.433 3.800 1.00 0.00 H new ATOM 505 N ILE A 42 7.026 11.110 0.119 1.00 0.00 N ATOM 506 CA ILE A 42 8.055 10.520 -0.731 1.00 0.00 C ATOM 507 C ILE A 42 7.534 10.306 -2.156 1.00 0.00 C ATOM 508 O ILE A 42 8.271 10.483 -3.121 1.00 0.00 O ATOM 509 CB ILE A 42 8.562 9.174 -0.166 1.00 0.00 C ATOM 510 CG1 ILE A 42 8.883 9.297 1.331 1.00 0.00 C ATOM 511 CG2 ILE A 42 9.788 8.704 -0.938 1.00 0.00 C ATOM 512 CD1 ILE A 42 10.013 10.260 1.638 1.00 0.00 C ATOM 0 H ILE A 42 6.643 10.475 0.819 1.00 0.00 H new ATOM 0 HA ILE A 42 8.887 11.224 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 42 7.771 8.433 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.987 9.623 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.142 8.312 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.134 7.755 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.528 8.573 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.580 9.447 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.181 10.293 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.922 9.925 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.749 11.256 1.281 1.00 0.00 H new ATOM 524 N TRP A 43 6.259 9.929 -2.277 1.00 0.00 N ATOM 525 CA TRP A 43 5.640 9.699 -3.585 1.00 0.00 C ATOM 526 C TRP A 43 5.620 10.987 -4.418 1.00 0.00 C ATOM 527 O TRP A 43 5.754 10.948 -5.642 1.00 0.00 O ATOM 528 CB TRP A 43 4.217 9.134 -3.393 1.00 0.00 C ATOM 529 CG TRP A 43 3.181 9.618 -4.371 1.00 0.00 C ATOM 530 CD1 TRP A 43 3.086 9.297 -5.694 1.00 0.00 C ATOM 531 CD2 TRP A 43 2.076 10.492 -4.093 1.00 0.00 C ATOM 532 NE1 TRP A 43 1.992 9.913 -6.253 1.00 0.00 N ATOM 533 CE2 TRP A 43 1.359 10.654 -5.291 1.00 0.00 C ATOM 534 CE3 TRP A 43 1.626 11.153 -2.946 1.00 0.00 C ATOM 535 CZ2 TRP A 43 0.215 11.444 -5.378 1.00 0.00 C ATOM 536 CZ3 TRP A 43 0.490 11.937 -3.033 1.00 0.00 C ATOM 537 CH2 TRP A 43 -0.203 12.077 -4.240 1.00 0.00 C ATOM 0 H TRP A 43 5.635 9.776 -1.485 1.00 0.00 H new ATOM 0 HA TRP A 43 6.234 8.969 -4.134 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.267 8.047 -3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.882 9.381 -2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.771 8.652 -6.225 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.699 9.831 -7.227 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.155 11.053 -2.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.322 11.553 -6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.131 12.450 -2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.086 12.698 -4.274 1.00 0.00 H new ATOM 548 N ASN A 44 5.457 12.126 -3.743 1.00 0.00 N ATOM 549 CA ASN A 44 5.416 13.424 -4.413 1.00 0.00 C ATOM 550 C ASN A 44 6.819 13.951 -4.737 1.00 0.00 C ATOM 551 O ASN A 44 7.005 14.656 -5.731 1.00 0.00 O ATOM 552 CB ASN A 44 4.665 14.441 -3.549 1.00 0.00 C ATOM 553 CG ASN A 44 4.143 15.616 -4.353 1.00 0.00 C ATOM 554 OD1 ASN A 44 4.585 16.750 -4.174 1.00 0.00 O ATOM 555 ND2 ASN A 44 3.197 15.349 -5.246 1.00 0.00 N ATOM 0 H ASN A 44 5.351 12.174 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 44 4.889 13.285 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.830 13.945 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.329 14.807 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.808 16.100 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.860 14.393 -5.361 1.00 0.00 H new ATOM 562 N LYS A 45 7.803 13.616 -3.899 1.00 0.00 N ATOM 563 CA LYS A 45 9.179 14.074 -4.107 1.00 0.00 C ATOM 564 C LYS A 45 9.928 13.177 -5.092 1.00 0.00 C ATOM 565 O LYS A 45 10.779 13.651 -5.845 1.00 0.00 O ATOM 566 CB LYS A 45 9.934 14.126 -2.774 1.00 0.00 C ATOM 567 CG LYS A 45 10.883 15.311 -2.657 1.00 0.00 C ATOM 568 CD LYS A 45 11.992 15.056 -1.643 1.00 0.00 C ATOM 569 CE LYS A 45 11.468 15.101 -0.214 1.00 0.00 C ATOM 570 NZ LYS A 45 12.419 15.786 0.708 1.00 0.00 N ATOM 0 H LYS A 45 7.674 13.032 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 45 9.129 15.076 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.212 14.167 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.501 13.203 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.324 15.520 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.321 16.198 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.444 14.083 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.777 15.802 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.509 15.619 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.289 14.085 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.024 15.795 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.326 15.278 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.571 16.764 0.387 1.00 0.00 H new ATOM 584 N LEU A 46 9.615 11.881 -5.079 1.00 0.00 N ATOM 585 CA LEU A 46 10.268 10.926 -5.970 1.00 0.00 C ATOM 586 C LEU A 46 9.663 10.948 -7.378 1.00 0.00 C ATOM 587 O LEU A 46 10.189 10.302 -8.287 1.00 0.00 O ATOM 588 CB LEU A 46 10.170 9.506 -5.400 1.00 0.00 C ATOM 589 CG LEU A 46 11.188 9.158 -4.305 1.00 0.00 C ATOM 590 CD1 LEU A 46 10.923 7.760 -3.767 1.00 0.00 C ATOM 591 CD2 LEU A 46 12.613 9.261 -4.835 1.00 0.00 C ATOM 0 H LEU A 46 8.914 11.470 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 46 11.314 11.224 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.167 9.364 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.288 8.796 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 46 11.076 9.876 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.651 7.525 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.918 7.716 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.009 7.036 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.316 9.010 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.743 8.569 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.801 10.279 -5.177 1.00 0.00 H new ATOM 603 N ASN A 47 8.559 11.685 -7.560 1.00 0.00 N ATOM 604 CA ASN A 47 7.896 11.769 -8.859 1.00 0.00 C ATOM 605 C ASN A 47 7.599 10.364 -9.394 1.00 0.00 C ATOM 606 O ASN A 47 7.940 10.027 -10.530 1.00 0.00 O ATOM 607 CB ASN A 47 8.764 12.561 -9.844 1.00 0.00 C ATOM 608 CG ASN A 47 8.097 12.756 -11.196 1.00 0.00 C ATOM 609 OD1 ASN A 47 8.682 12.454 -12.236 1.00 0.00 O ATOM 610 ND2 ASN A 47 6.868 13.267 -11.192 1.00 0.00 N ATOM 0 H ASN A 47 8.110 12.229 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 47 6.948 12.294 -8.742 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.995 13.536 -9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.712 12.042 -9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.377 13.421 -12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.417 13.504 -10.308 1.00 0.00 H new ATOM 617 N VAL A 48 6.960 9.548 -8.556 1.00 0.00 N ATOM 618 CA VAL A 48 6.617 8.178 -8.932 1.00 0.00 C ATOM 619 C VAL A 48 5.100 7.984 -9.011 1.00 0.00 C ATOM 620 O VAL A 48 4.596 6.873 -8.841 1.00 0.00 O ATOM 621 CB VAL A 48 7.223 7.155 -7.943 1.00 0.00 C ATOM 622 CG1 VAL A 48 8.738 7.104 -8.089 1.00 0.00 C ATOM 623 CG2 VAL A 48 6.827 7.484 -6.508 1.00 0.00 C ATOM 0 H VAL A 48 6.670 9.812 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 48 7.043 8.003 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 48 6.822 6.170 -8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.147 6.379 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.996 6.808 -9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.157 8.088 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.266 6.750 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.191 8.478 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.741 7.459 -6.415 1.00 0.00 H new ATOM 633 N GLN A 49 4.378 9.076 -9.287 1.00 0.00 N ATOM 634 CA GLN A 49 2.920 9.040 -9.402 1.00 0.00 C ATOM 635 C GLN A 49 2.478 8.130 -10.553 1.00 0.00 C ATOM 636 O GLN A 49 1.398 7.539 -10.510 1.00 0.00 O ATOM 637 CB GLN A 49 2.385 10.461 -9.618 1.00 0.00 C ATOM 638 CG GLN A 49 0.877 10.592 -9.451 1.00 0.00 C ATOM 639 CD GLN A 49 0.175 10.972 -10.744 1.00 0.00 C ATOM 640 OE1 GLN A 49 0.501 10.460 -11.813 1.00 0.00 O ATOM 641 NE2 GLN A 49 -0.795 11.879 -10.653 1.00 0.00 N ATOM 0 H GLN A 49 4.785 10.000 -9.435 1.00 0.00 H new ATOM 0 HA GLN A 49 2.511 8.634 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.877 11.133 -8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.658 10.792 -10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.472 9.648 -9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.664 11.344 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.035 12.280 -9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.298 12.173 -11.490 1.00 0.00 H new ATOM 650 N ASP A 50 3.330 8.019 -11.574 1.00 0.00 N ATOM 651 CA ASP A 50 3.046 7.176 -12.735 1.00 0.00 C ATOM 652 C ASP A 50 3.573 5.755 -12.519 1.00 0.00 C ATOM 653 O ASP A 50 3.066 4.801 -13.109 1.00 0.00 O ATOM 654 CB ASP A 50 3.676 7.776 -13.999 1.00 0.00 C ATOM 655 CG ASP A 50 2.723 8.677 -14.771 1.00 0.00 C ATOM 656 OD1 ASP A 50 1.842 9.298 -14.140 1.00 0.00 O ATOM 657 OD2 ASP A 50 2.864 8.764 -16.008 1.00 0.00 O ATOM 0 H ASP A 50 4.226 8.505 -11.619 1.00 0.00 H new ATOM 0 HA ASP A 50 1.964 7.131 -12.862 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.561 8.348 -13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.010 6.968 -14.650 1.00 0.00 H new ATOM 662 N LYS A 51 4.595 5.625 -11.670 1.00 0.00 N ATOM 663 CA LYS A 51 5.194 4.324 -11.377 1.00 0.00 C ATOM 664 C LYS A 51 4.345 3.537 -10.375 1.00 0.00 C ATOM 665 O LYS A 51 4.147 2.331 -10.534 1.00 0.00 O ATOM 666 CB LYS A 51 6.618 4.491 -10.824 1.00 0.00 C ATOM 667 CG LYS A 51 7.461 5.520 -11.569 1.00 0.00 C ATOM 668 CD LYS A 51 7.905 5.004 -12.932 1.00 0.00 C ATOM 669 CE LYS A 51 8.974 5.897 -13.552 1.00 0.00 C ATOM 670 NZ LYS A 51 10.065 6.225 -12.588 1.00 0.00 N ATOM 0 H LYS A 51 5.024 6.406 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 51 5.237 3.767 -12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.557 4.779 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.125 3.527 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.886 6.437 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.337 5.773 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.292 3.990 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.044 4.950 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.399 5.400 -14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.514 6.820 -13.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.959 6.348 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.831 7.105 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.166 5.451 -11.901 1.00 0.00 H new ATOM 684 N VAL A 52 3.850 4.225 -9.341 1.00 0.00 N ATOM 685 CA VAL A 52 3.034 3.585 -8.311 1.00 0.00 C ATOM 686 C VAL A 52 1.651 4.233 -8.223 1.00 0.00 C ATOM 687 O VAL A 52 1.479 5.402 -8.573 1.00 0.00 O ATOM 688 CB VAL A 52 3.729 3.659 -6.932 1.00 0.00 C ATOM 689 CG1 VAL A 52 3.814 5.100 -6.441 1.00 0.00 C ATOM 690 CG2 VAL A 52 3.015 2.780 -5.914 1.00 0.00 C ATOM 0 H VAL A 52 4.001 5.223 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 52 2.915 2.539 -8.593 1.00 0.00 H new ATOM 0 HB VAL A 52 4.745 3.282 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.307 5.125 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.386 5.694 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.809 5.513 -6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.524 2.850 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.984 3.115 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.026 1.745 -6.256 1.00 0.00 H new ATOM 700 N PHE A 53 0.670 3.470 -7.740 1.00 0.00 N ATOM 701 CA PHE A 53 -0.682 3.975 -7.596 1.00 0.00 C ATOM 702 C PHE A 53 -1.104 3.952 -6.132 1.00 0.00 C ATOM 703 O PHE A 53 -1.299 2.889 -5.538 1.00 0.00 O ATOM 704 CB PHE A 53 -1.657 3.149 -8.441 1.00 0.00 C ATOM 705 CG PHE A 53 -1.908 3.725 -9.808 1.00 0.00 C ATOM 706 CD1 PHE A 53 -2.888 4.685 -10.002 1.00 0.00 C ATOM 707 CD2 PHE A 53 -1.165 3.302 -10.900 1.00 0.00 C ATOM 708 CE1 PHE A 53 -3.122 5.215 -11.256 1.00 0.00 C ATOM 709 CE2 PHE A 53 -1.396 3.827 -12.158 1.00 0.00 C ATOM 710 CZ PHE A 53 -2.375 4.785 -12.337 1.00 0.00 C ATOM 0 H PHE A 53 0.793 2.502 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.703 5.006 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.265 2.138 -8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.606 3.068 -7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.477 5.023 -9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.397 2.554 -10.766 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.888 5.964 -11.392 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.811 3.488 -13.000 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.556 5.197 -13.319 1.00 0.00 H new ATOM 720 N VAL A 54 -1.244 5.143 -5.569 1.00 0.00 N ATOM 721 CA VAL A 54 -1.647 5.308 -4.174 1.00 0.00 C ATOM 722 C VAL A 54 -3.136 5.630 -4.072 1.00 0.00 C ATOM 723 O VAL A 54 -3.649 6.478 -4.805 1.00 0.00 O ATOM 724 CB VAL A 54 -0.843 6.429 -3.478 1.00 0.00 C ATOM 725 CG1 VAL A 54 -1.144 6.464 -1.985 1.00 0.00 C ATOM 726 CG2 VAL A 54 0.652 6.261 -3.723 1.00 0.00 C ATOM 0 H VAL A 54 -1.083 6.022 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.441 4.363 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.151 7.381 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.567 7.261 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.207 6.648 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.873 5.508 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.195 7.063 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.980 5.299 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.852 6.301 -4.794 1.00 0.00 H new ATOM 736 N PHE A 55 -3.822 4.947 -3.157 1.00 0.00 N ATOM 737 CA PHE A 55 -5.254 5.154 -2.951 1.00 0.00 C ATOM 738 C PHE A 55 -5.567 5.368 -1.471 1.00 0.00 C ATOM 739 O PHE A 55 -5.096 4.618 -0.612 1.00 0.00 O ATOM 740 CB PHE A 55 -6.042 3.957 -3.492 1.00 0.00 C ATOM 741 CG PHE A 55 -7.535 4.119 -3.409 1.00 0.00 C ATOM 742 CD1 PHE A 55 -8.223 4.847 -4.368 1.00 0.00 C ATOM 743 CD2 PHE A 55 -8.248 3.540 -2.371 1.00 0.00 C ATOM 744 CE1 PHE A 55 -9.595 4.994 -4.291 1.00 0.00 C ATOM 745 CE2 PHE A 55 -9.619 3.684 -2.291 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.295 4.411 -3.252 1.00 0.00 C ATOM 0 H PHE A 55 -3.408 4.244 -2.545 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.552 6.051 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.762 3.791 -4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.752 3.064 -2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.681 5.304 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.726 2.970 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.120 5.564 -5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.163 3.228 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.367 4.523 -3.191 1.00 0.00 H new ATOM 756 N ASP A 56 -6.368 6.394 -1.182 1.00 0.00 N ATOM 757 CA ASP A 56 -6.751 6.715 0.192 1.00 0.00 C ATOM 758 C ASP A 56 -8.100 6.093 0.545 1.00 0.00 C ATOM 759 O ASP A 56 -8.966 5.936 -0.318 1.00 0.00 O ATOM 760 CB ASP A 56 -6.807 8.235 0.394 1.00 0.00 C ATOM 761 CG ASP A 56 -7.803 8.916 -0.528 1.00 0.00 C ATOM 762 OD1 ASP A 56 -7.428 9.226 -1.679 1.00 0.00 O ATOM 763 OD2 ASP A 56 -8.958 9.130 -0.102 1.00 0.00 O ATOM 0 H ASP A 56 -6.765 7.018 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.994 6.297 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.072 8.450 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.816 8.656 0.225 1.00 0.00 H new ATOM 768 N ILE A 57 -8.272 5.744 1.819 1.00 0.00 N ATOM 769 CA ILE A 57 -9.519 5.144 2.287 1.00 0.00 C ATOM 770 C ILE A 57 -10.321 6.127 3.139 1.00 0.00 C ATOM 771 O ILE A 57 -10.220 6.131 4.369 1.00 0.00 O ATOM 772 CB ILE A 57 -9.274 3.837 3.077 1.00 0.00 C ATOM 773 CG1 ILE A 57 -8.127 3.996 4.083 1.00 0.00 C ATOM 774 CG2 ILE A 57 -8.979 2.696 2.115 1.00 0.00 C ATOM 775 CD1 ILE A 57 -8.071 2.888 5.112 1.00 0.00 C ATOM 0 H ILE A 57 -7.565 5.866 2.544 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.098 4.896 1.398 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.179 3.608 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.181 4.027 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.233 4.952 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.808 1.779 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.827 2.556 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.090 2.934 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.237 3.064 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.002 2.870 5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.934 1.931 4.609 1.00 0.00 H new ATOM 787 N GLY A 58 -11.114 6.967 2.470 1.00 0.00 N ATOM 788 CA GLY A 58 -11.924 7.957 3.165 1.00 0.00 C ATOM 789 C GLY A 58 -13.400 7.896 2.794 1.00 0.00 C ATOM 790 O GLY A 58 -14.260 7.910 3.675 1.00 0.00 O ATOM 0 H GLY A 58 -11.209 6.978 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.820 7.811 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.541 8.952 2.940 1.00 0.00 H new ATOM 794 N SER A 59 -13.691 7.833 1.491 1.00 0.00 N ATOM 795 CA SER A 59 -15.076 7.778 1.007 1.00 0.00 C ATOM 796 C SER A 59 -15.813 6.566 1.574 1.00 0.00 C ATOM 797 O SER A 59 -16.980 6.663 1.956 1.00 0.00 O ATOM 798 CB SER A 59 -15.113 7.728 -0.524 1.00 0.00 C ATOM 799 OG SER A 59 -15.176 9.031 -1.078 1.00 0.00 O ATOM 0 H SER A 59 -12.988 7.819 0.752 1.00 0.00 H new ATOM 0 HA SER A 59 -15.577 8.683 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.226 7.215 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.977 7.149 -0.851 1.00 0.00 H new ATOM 0 HG SER A 59 -15.197 8.970 -2.056 1.00 0.00 H new ATOM 805 N LEU A 60 -15.122 5.429 1.617 1.00 0.00 N ATOM 806 CA LEU A 60 -15.701 4.189 2.131 1.00 0.00 C ATOM 807 C LEU A 60 -16.143 4.342 3.588 1.00 0.00 C ATOM 808 O LEU A 60 -15.312 4.504 4.484 1.00 0.00 O ATOM 809 CB LEU A 60 -14.698 3.037 1.998 1.00 0.00 C ATOM 810 CG LEU A 60 -13.291 3.317 2.540 1.00 0.00 C ATOM 811 CD1 LEU A 60 -12.782 2.124 3.338 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.331 3.649 1.403 1.00 0.00 C ATOM 0 H LEU A 60 -14.156 5.340 1.301 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.584 3.961 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.101 2.167 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.616 2.771 0.944 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.345 4.180 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.782 2.339 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.453 1.933 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.746 1.245 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.339 3.844 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.281 2.808 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.686 4.533 0.873 1.00 0.00 H new ATOM 824 N PRO A 61 -17.471 4.296 3.841 1.00 0.00 N ATOM 825 CA PRO A 61 -18.036 4.431 5.191 1.00 0.00 C ATOM 826 C PRO A 61 -17.692 3.241 6.089 1.00 0.00 C ATOM 827 O PRO A 61 -16.916 2.366 5.700 1.00 0.00 O ATOM 828 CB PRO A 61 -19.556 4.500 4.947 1.00 0.00 C ATOM 829 CG PRO A 61 -19.713 4.754 3.485 1.00 0.00 C ATOM 830 CD PRO A 61 -18.525 4.114 2.832 1.00 0.00 C ATOM 0 HA PRO A 61 -17.637 5.303 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -20.043 3.569 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.012 5.296 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.643 4.326 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.747 5.823 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.700 3.061 2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.271 4.597 1.888 1.00 0.00 H new ATOM 838 N ARG A 62 -18.274 3.213 7.292 1.00 0.00 N ATOM 839 CA ARG A 62 -18.027 2.127 8.245 1.00 0.00 C ATOM 840 C ARG A 62 -18.362 0.763 7.634 1.00 0.00 C ATOM 841 O ARG A 62 -17.698 -0.232 7.927 1.00 0.00 O ATOM 842 CB ARG A 62 -18.828 2.337 9.536 1.00 0.00 C ATOM 843 CG ARG A 62 -18.038 2.017 10.799 1.00 0.00 C ATOM 844 CD ARG A 62 -18.953 1.798 11.998 1.00 0.00 C ATOM 845 NE ARG A 62 -18.907 2.915 12.943 1.00 0.00 N ATOM 846 CZ ARG A 62 -17.920 3.112 13.826 1.00 0.00 C ATOM 847 NH1 ARG A 62 -16.885 2.278 13.886 1.00 0.00 N ATOM 848 NH2 ARG A 62 -17.971 4.151 14.654 1.00 0.00 N ATOM 0 H ARG A 62 -18.918 3.929 7.628 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.964 2.142 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -19.166 3.372 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -19.720 1.712 9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.435 1.124 10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.348 2.833 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.977 1.661 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.664 0.880 12.510 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.675 3.586 12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.837 1.478 13.255 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.139 2.439 14.563 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.761 4.796 14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.221 4.304 15.328 1.00 0.00 H new ATOM 862 N ASN A 63 -19.390 0.724 6.781 1.00 0.00 N ATOM 863 CA ASN A 63 -19.801 -0.521 6.129 1.00 0.00 C ATOM 864 C ASN A 63 -18.669 -1.099 5.281 1.00 0.00 C ATOM 865 O ASN A 63 -18.303 -2.266 5.433 1.00 0.00 O ATOM 866 CB ASN A 63 -21.041 -0.290 5.255 1.00 0.00 C ATOM 867 CG ASN A 63 -22.037 -1.429 5.357 1.00 0.00 C ATOM 868 OD1 ASN A 63 -23.027 -1.339 6.083 1.00 0.00 O ATOM 869 ND2 ASN A 63 -21.780 -2.509 4.627 1.00 0.00 N ATOM 0 H ASN A 63 -19.950 1.538 6.527 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.047 -1.238 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.525 0.640 5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -20.734 -0.171 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -22.415 -3.306 4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -20.947 -2.541 4.039 1.00 0.00 H new ATOM 876 N GLU A 64 -18.112 -0.275 4.391 1.00 0.00 N ATOM 877 CA GLU A 64 -17.019 -0.709 3.525 1.00 0.00 C ATOM 878 C GLU A 64 -15.725 -0.878 4.313 1.00 0.00 C ATOM 879 O GLU A 64 -14.924 -1.763 4.013 1.00 0.00 O ATOM 880 CB GLU A 64 -16.811 0.286 2.380 1.00 0.00 C ATOM 881 CG GLU A 64 -17.582 -0.075 1.117 1.00 0.00 C ATOM 882 CD GLU A 64 -18.952 0.581 1.040 1.00 0.00 C ATOM 883 OE1 GLU A 64 -19.593 0.763 2.098 1.00 0.00 O ATOM 884 OE2 GLU A 64 -19.384 0.908 -0.083 1.00 0.00 O ATOM 0 H GLU A 64 -18.400 0.694 4.253 1.00 0.00 H new ATOM 0 HA GLU A 64 -17.293 -1.677 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.116 1.279 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.748 0.341 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.997 0.219 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.702 -1.157 1.070 1.00 0.00 H new ATOM 891 N GLN A 65 -15.523 -0.032 5.327 1.00 0.00 N ATOM 892 CA GLN A 65 -14.320 -0.104 6.157 1.00 0.00 C ATOM 893 C GLN A 65 -14.154 -1.501 6.754 1.00 0.00 C ATOM 894 O GLN A 65 -13.049 -2.043 6.782 1.00 0.00 O ATOM 895 CB GLN A 65 -14.374 0.939 7.278 1.00 0.00 C ATOM 896 CG GLN A 65 -13.708 2.258 6.920 1.00 0.00 C ATOM 897 CD GLN A 65 -12.992 2.889 8.100 1.00 0.00 C ATOM 898 OE1 GLN A 65 -12.030 2.329 8.628 1.00 0.00 O ATOM 899 NE2 GLN A 65 -13.458 4.059 8.524 1.00 0.00 N ATOM 0 H GLN A 65 -16.174 0.707 5.591 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.461 0.107 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.416 1.127 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.894 0.529 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.995 2.093 6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.461 2.951 6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.257 4.489 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.016 4.527 9.315 1.00 0.00 H new ATOM 908 N GLU A 66 -15.258 -2.081 7.229 1.00 0.00 N ATOM 909 CA GLU A 66 -15.230 -3.415 7.822 1.00 0.00 C ATOM 910 C GLU A 66 -15.011 -4.484 6.753 1.00 0.00 C ATOM 911 O GLU A 66 -14.167 -5.369 6.913 1.00 0.00 O ATOM 912 CB GLU A 66 -16.530 -3.696 8.581 1.00 0.00 C ATOM 913 CG GLU A 66 -16.821 -2.704 9.698 1.00 0.00 C ATOM 914 CD GLU A 66 -16.451 -3.243 11.067 1.00 0.00 C ATOM 915 OE1 GLU A 66 -17.135 -4.174 11.543 1.00 0.00 O ATOM 916 OE2 GLU A 66 -15.478 -2.735 11.663 1.00 0.00 O ATOM 0 H GLU A 66 -16.181 -1.646 7.214 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.397 -3.450 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.360 -3.686 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.482 -4.700 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.270 -1.782 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.881 -2.449 9.686 1.00 0.00 H new ATOM 923 N LYS A 67 -15.775 -4.403 5.661 1.00 0.00 N ATOM 924 CA LYS A 67 -15.664 -5.367 4.567 1.00 0.00 C ATOM 925 C LYS A 67 -14.239 -5.413 4.013 1.00 0.00 C ATOM 926 O LYS A 67 -13.669 -6.491 3.840 1.00 0.00 O ATOM 927 CB LYS A 67 -16.648 -5.026 3.446 1.00 0.00 C ATOM 928 CG LYS A 67 -17.995 -5.721 3.581 1.00 0.00 C ATOM 929 CD LYS A 67 -18.896 -5.441 2.387 1.00 0.00 C ATOM 930 CE LYS A 67 -18.818 -6.556 1.353 1.00 0.00 C ATOM 931 NZ LYS A 67 -18.996 -6.043 -0.034 1.00 0.00 N ATOM 0 H LYS A 67 -16.477 -3.679 5.512 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.909 -6.351 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -16.806 -3.948 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.203 -5.298 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.842 -6.796 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.487 -5.387 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.926 -5.329 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.608 -4.496 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.854 -7.058 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.584 -7.302 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.650 -6.663 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.386 -5.079 -0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.076 -6.028 -0.519 1.00 0.00 H new ATOM 945 N TRP A 68 -13.667 -4.238 3.743 1.00 0.00 N ATOM 946 CA TRP A 68 -12.308 -4.143 3.215 1.00 0.00 C ATOM 947 C TRP A 68 -11.304 -4.779 4.178 1.00 0.00 C ATOM 948 O TRP A 68 -10.349 -5.429 3.748 1.00 0.00 O ATOM 949 CB TRP A 68 -11.929 -2.681 2.959 1.00 0.00 C ATOM 950 CG TRP A 68 -11.788 -2.344 1.503 1.00 0.00 C ATOM 951 CD1 TRP A 68 -10.622 -2.197 0.806 1.00 0.00 C ATOM 952 CD2 TRP A 68 -12.848 -2.105 0.571 1.00 0.00 C ATOM 953 NE1 TRP A 68 -10.894 -1.884 -0.504 1.00 0.00 N ATOM 954 CE2 TRP A 68 -12.252 -1.820 -0.674 1.00 0.00 C ATOM 955 CE3 TRP A 68 -14.244 -2.100 0.665 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -13.003 -1.542 -1.814 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -14.986 -1.821 -0.467 1.00 0.00 C ATOM 958 CH2 TRP A 68 -14.364 -1.544 -1.692 1.00 0.00 C ATOM 0 H TRP A 68 -14.126 -3.338 3.882 1.00 0.00 H new ATOM 0 HA TRP A 68 -12.278 -4.686 2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -12.687 -2.035 3.401 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -10.989 -2.464 3.467 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -9.632 -2.310 1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -10.198 -1.725 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -14.733 -2.310 1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -12.527 -1.332 -2.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -16.064 -1.816 -0.407 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -14.973 -1.328 -2.557 1.00 0.00 H new ATOM 969 N ARG A 69 -11.527 -4.587 5.481 1.00 0.00 N ATOM 970 CA ARG A 69 -10.645 -5.144 6.504 1.00 0.00 C ATOM 971 C ARG A 69 -10.618 -6.669 6.429 1.00 0.00 C ATOM 972 O ARG A 69 -9.545 -7.272 6.357 1.00 0.00 O ATOM 973 CB ARG A 69 -11.094 -4.696 7.901 1.00 0.00 C ATOM 974 CG ARG A 69 -9.964 -4.634 8.918 1.00 0.00 C ATOM 975 CD ARG A 69 -10.461 -4.921 10.328 1.00 0.00 C ATOM 976 NE ARG A 69 -9.915 -3.982 11.305 1.00 0.00 N ATOM 977 CZ ARG A 69 -10.373 -2.739 11.485 1.00 0.00 C ATOM 978 NH1 ARG A 69 -11.386 -2.278 10.752 1.00 0.00 N ATOM 979 NH2 ARG A 69 -9.814 -1.953 12.398 1.00 0.00 N ATOM 0 H ARG A 69 -12.312 -4.050 5.850 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.638 -4.771 6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.557 -3.712 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.860 -5.382 8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.193 -5.356 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.501 -3.647 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.550 -4.870 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.185 -5.937 10.609 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.136 -4.294 11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.818 -2.875 10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.729 -1.328 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.036 -2.298 12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.162 -1.004 12.536 1.00 0.00 H new ATOM 993 N ILE A 70 -11.801 -7.289 6.444 1.00 0.00 N ATOM 994 CA ILE A 70 -11.905 -8.748 6.374 1.00 0.00 C ATOM 995 C ILE A 70 -11.278 -9.277 5.086 1.00 0.00 C ATOM 996 O ILE A 70 -10.502 -10.234 5.114 1.00 0.00 O ATOM 997 CB ILE A 70 -13.375 -9.232 6.458 1.00 0.00 C ATOM 998 CG1 ILE A 70 -14.069 -8.649 7.695 1.00 0.00 C ATOM 999 CG2 ILE A 70 -13.430 -10.755 6.483 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -13.341 -8.933 8.992 1.00 0.00 C ATOM 0 H ILE A 70 -12.697 -6.805 6.504 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.363 -9.140 7.235 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.904 -8.879 5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -14.166 -7.570 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -15.079 -9.054 7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -14.469 -11.081 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.977 -11.150 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.884 -11.125 7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -13.891 -8.490 9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.267 -10.010 9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.340 -8.503 8.949 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.619 -8.646 3.959 1.00 0.00 N ATOM 1013 CA ALA A 71 -11.089 -9.053 2.660 1.00 0.00 C ATOM 1014 C ALA A 71 -9.565 -8.973 2.636 1.00 0.00 C ATOM 1015 O ALA A 71 -8.895 -9.943 2.281 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.678 -8.198 1.547 1.00 0.00 C ATOM 0 H ALA A 71 -12.259 -7.853 3.923 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.378 -10.091 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.270 -8.518 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.762 -8.311 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.424 -7.152 1.719 1.00 0.00 H new ATOM 1022 N PHE A 72 -9.023 -7.813 3.016 1.00 0.00 N ATOM 1023 CA PHE A 72 -7.573 -7.611 3.038 1.00 0.00 C ATOM 1024 C PHE A 72 -6.891 -8.631 3.949 1.00 0.00 C ATOM 1025 O PHE A 72 -5.886 -9.233 3.571 1.00 0.00 O ATOM 1026 CB PHE A 72 -7.238 -6.188 3.495 1.00 0.00 C ATOM 1027 CG PHE A 72 -5.961 -5.652 2.907 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -5.929 -5.166 1.608 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -4.792 -5.635 3.653 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -4.757 -4.675 1.067 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -3.618 -5.144 3.115 1.00 0.00 C ATOM 1032 CZ PHE A 72 -3.600 -4.663 1.821 1.00 0.00 C ATOM 0 H PHE A 72 -9.565 -7.001 3.312 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.198 -7.753 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.060 -5.525 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.162 -6.173 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.830 -5.172 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.799 -6.010 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.745 -4.300 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.714 -5.136 3.707 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.683 -4.278 1.399 1.00 0.00 H new ATOM 1042 N GLN A 73 -7.448 -8.829 5.145 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.893 -9.789 6.100 1.00 0.00 C ATOM 1044 C GLN A 73 -6.945 -11.212 5.536 1.00 0.00 C ATOM 1045 O GLN A 73 -6.126 -12.059 5.893 1.00 0.00 O ATOM 1046 CB GLN A 73 -7.650 -9.726 7.430 1.00 0.00 C ATOM 1047 CG GLN A 73 -6.741 -9.593 8.642 1.00 0.00 C ATOM 1048 CD GLN A 73 -7.508 -9.507 9.950 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -8.730 -9.360 9.962 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -6.789 -9.597 11.066 1.00 0.00 N ATOM 0 H GLN A 73 -8.280 -8.339 5.474 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.851 -9.523 6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.338 -8.881 7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.255 -10.626 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.065 -10.448 8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.123 -8.702 8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.778 -9.719 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.249 -9.544 11.975 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.908 -11.468 4.650 1.00 0.00 N ATOM 1060 CA LYS A 74 -8.056 -12.778 4.033 1.00 0.00 C ATOM 1061 C LYS A 74 -7.072 -12.952 2.875 1.00 0.00 C ATOM 1062 O LYS A 74 -6.658 -14.071 2.566 1.00 0.00 O ATOM 1063 CB LYS A 74 -9.485 -12.962 3.527 1.00 0.00 C ATOM 1064 CG LYS A 74 -10.114 -14.288 3.931 1.00 0.00 C ATOM 1065 CD LYS A 74 -10.830 -14.954 2.764 1.00 0.00 C ATOM 1066 CE LYS A 74 -10.124 -16.232 2.331 1.00 0.00 C ATOM 1067 NZ LYS A 74 -8.780 -15.959 1.744 1.00 0.00 N ATOM 0 H LYS A 74 -8.597 -10.780 4.346 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.839 -13.534 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.102 -12.147 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.488 -12.885 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.341 -14.956 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.821 -14.122 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.857 -15.183 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.879 -14.262 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.016 -16.895 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.739 -16.755 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.235 -16.844 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.892 -15.571 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.275 -15.271 2.339 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.704 -11.838 2.232 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.773 -11.872 1.109 1.00 0.00 C ATOM 1083 C VAL A 75 -4.328 -11.927 1.595 1.00 0.00 C ATOM 1084 O VAL A 75 -3.540 -12.740 1.116 1.00 0.00 O ATOM 1085 CB VAL A 75 -5.947 -10.654 0.173 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -5.061 -10.792 -1.060 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.405 -10.486 -0.230 1.00 0.00 C ATOM 0 H VAL A 75 -7.039 -10.905 2.473 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.002 -12.777 0.546 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.640 -9.761 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.198 -9.925 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.017 -10.854 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.333 -11.696 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.503 -9.623 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.744 -11.381 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.014 -10.334 0.661 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.981 -11.053 2.542 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.623 -11.020 3.073 1.00 0.00 C ATOM 1099 C VAL A 76 -2.590 -11.255 4.588 1.00 0.00 C ATOM 1100 O VAL A 76 -1.684 -11.918 5.094 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.908 -9.690 2.739 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -2.637 -8.500 3.354 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -0.456 -9.737 3.198 1.00 0.00 C ATOM 0 H VAL A 76 -4.616 -10.367 2.951 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.089 -11.836 2.586 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.923 -9.560 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.110 -7.580 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.654 -8.455 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.669 -8.614 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.033 -8.793 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.420 -9.898 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.059 -10.553 2.692 1.00 0.00 H new ATOM 1113 N GLY A 77 -3.572 -10.704 5.305 1.00 0.00 N ATOM 1114 CA GLY A 77 -3.619 -10.863 6.749 1.00 0.00 C ATOM 1115 C GLY A 77 -2.862 -9.767 7.473 1.00 0.00 C ATOM 1116 O GLY A 77 -2.165 -10.033 8.455 1.00 0.00 O ATOM 0 H GLY A 77 -4.333 -10.152 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.658 -10.863 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.199 -11.832 7.020 1.00 0.00 H new ATOM 1120 N SER A 78 -3.000 -8.531 6.990 1.00 0.00 N ATOM 1121 CA SER A 78 -2.323 -7.393 7.595 1.00 0.00 C ATOM 1122 C SER A 78 -3.313 -6.512 8.349 1.00 0.00 C ATOM 1123 O SER A 78 -4.090 -5.771 7.742 1.00 0.00 O ATOM 1124 CB SER A 78 -1.592 -6.575 6.526 1.00 0.00 C ATOM 1125 OG SER A 78 -0.378 -6.045 7.032 1.00 0.00 O ATOM 0 H SER A 78 -3.576 -8.297 6.181 1.00 0.00 H new ATOM 0 HA SER A 78 -1.590 -7.773 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.385 -7.204 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.233 -5.762 6.184 1.00 0.00 H new ATOM 0 HG SER A 78 0.053 -5.498 6.342 1.00 0.00 H new ATOM 1131 N ARG A 79 -3.269 -6.591 9.677 1.00 0.00 N ATOM 1132 CA ARG A 79 -4.153 -5.793 10.529 1.00 0.00 C ATOM 1133 C ARG A 79 -3.467 -4.488 10.943 1.00 0.00 C ATOM 1134 O ARG A 79 -3.660 -3.996 12.057 1.00 0.00 O ATOM 1135 CB ARG A 79 -4.557 -6.594 11.773 1.00 0.00 C ATOM 1136 CG ARG A 79 -3.390 -7.276 12.467 1.00 0.00 C ATOM 1137 CD ARG A 79 -3.724 -7.642 13.903 1.00 0.00 C ATOM 1138 NE ARG A 79 -2.616 -7.358 14.813 1.00 0.00 N ATOM 1139 CZ ARG A 79 -1.445 -8.002 14.789 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -1.227 -8.981 13.913 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -0.489 -7.664 15.648 1.00 0.00 N ATOM 0 H ARG A 79 -2.630 -7.200 10.189 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.050 -5.548 9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.049 -5.926 12.480 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.289 -7.349 11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.115 -8.176 11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.522 -6.616 12.452 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.606 -7.088 14.222 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.976 -8.701 13.958 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.744 -6.623 15.509 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.957 -9.246 13.252 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.330 -9.466 13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.650 -6.916 16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.406 -8.153 15.633 1.00 0.00 H new ATOM 1155 N ASN A 80 -2.657 -3.938 10.036 1.00 0.00 N ATOM 1156 CA ASN A 80 -1.929 -2.696 10.296 1.00 0.00 C ATOM 1157 C ASN A 80 -2.248 -1.641 9.237 1.00 0.00 C ATOM 1158 O ASN A 80 -2.664 -1.974 8.127 1.00 0.00 O ATOM 1159 CB ASN A 80 -0.422 -2.976 10.319 1.00 0.00 C ATOM 1160 CG ASN A 80 0.391 -1.772 10.756 1.00 0.00 C ATOM 1161 OD1 ASN A 80 0.340 -1.363 11.915 1.00 0.00 O ATOM 1162 ND2 ASN A 80 1.144 -1.195 9.826 1.00 0.00 N ATOM 0 H ASN A 80 -2.489 -4.336 9.112 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.243 -2.309 11.266 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.222 -3.809 10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.099 -3.286 9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.710 -0.380 10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.156 -1.567 8.876 1.00 0.00 H new ATOM 1169 N LEU A 81 -2.041 -0.369 9.585 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.296 0.737 8.662 1.00 0.00 C ATOM 1171 C LEU A 81 -1.251 1.841 8.827 1.00 0.00 C ATOM 1172 O LEU A 81 -0.867 2.171 9.952 1.00 0.00 O ATOM 1173 CB LEU A 81 -3.697 1.312 8.883 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.814 0.602 8.116 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -6.177 1.089 8.584 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -4.649 0.816 6.618 1.00 0.00 C ATOM 0 H LEU A 81 -1.697 -0.080 10.501 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.230 0.344 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.926 1.273 9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.691 2.364 8.597 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.748 -0.467 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.959 0.573 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.292 0.881 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.258 2.162 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.452 0.304 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.689 1.882 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.688 0.415 6.297 1.00 0.00 H new ATOM 1188 N PRO A 82 -0.774 2.430 7.711 1.00 0.00 N ATOM 1189 CA PRO A 82 -1.207 2.067 6.353 1.00 0.00 C ATOM 1190 C PRO A 82 -0.604 0.742 5.873 1.00 0.00 C ATOM 1191 O PRO A 82 0.193 0.120 6.576 1.00 0.00 O ATOM 1192 CB PRO A 82 -0.690 3.230 5.503 1.00 0.00 C ATOM 1193 CG PRO A 82 0.514 3.721 6.230 1.00 0.00 C ATOM 1194 CD PRO A 82 0.236 3.510 7.695 1.00 0.00 C ATOM 0 HA PRO A 82 -2.285 1.917 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.438 2.902 4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.441 4.014 5.405 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.405 3.175 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.695 4.774 6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.138 3.222 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.142 4.418 8.165 1.00 0.00 H new ATOM 1202 N THR A 83 -0.993 0.322 4.667 1.00 0.00 N ATOM 1203 CA THR A 83 -0.496 -0.923 4.086 1.00 0.00 C ATOM 1204 C THR A 83 -0.036 -0.711 2.645 1.00 0.00 C ATOM 1205 O THR A 83 -0.703 -0.029 1.865 1.00 0.00 O ATOM 1206 CB THR A 83 -1.574 -2.013 4.123 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.844 -1.486 3.769 1.00 0.00 O ATOM 1208 CG2 THR A 83 -1.711 -2.686 5.472 1.00 0.00 C ATOM 0 H THR A 83 -1.652 0.828 4.075 1.00 0.00 H new ATOM 0 HA THR A 83 0.356 -1.245 4.685 1.00 0.00 H new ATOM 0 HB THR A 83 -1.244 -2.759 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.514 -2.200 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.492 -3.445 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.765 -3.156 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.975 -1.943 6.224 1.00 0.00 H new ATOM 1216 N ILE A 84 1.103 -1.309 2.297 1.00 0.00 N ATOM 1217 CA ILE A 84 1.655 -1.198 0.950 1.00 0.00 C ATOM 1218 C ILE A 84 1.747 -2.572 0.286 1.00 0.00 C ATOM 1219 O ILE A 84 2.537 -3.422 0.704 1.00 0.00 O ATOM 1220 CB ILE A 84 3.058 -0.546 0.963 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.041 0.760 1.768 1.00 0.00 C ATOM 1222 CG2 ILE A 84 3.547 -0.298 -0.460 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.420 1.257 2.143 1.00 0.00 C ATOM 0 H ILE A 84 1.662 -1.877 2.933 1.00 0.00 H new ATOM 0 HA ILE A 84 0.978 -0.562 0.379 1.00 0.00 H new ATOM 0 HB ILE A 84 3.751 -1.234 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.532 1.529 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.458 0.610 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.535 0.161 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.603 -1.246 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.853 0.368 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.331 2.184 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.924 0.506 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.999 1.440 1.238 1.00 0.00 H new ATOM 1235 N VAL A 85 0.935 -2.783 -0.752 1.00 0.00 N ATOM 1236 CA VAL A 85 0.924 -4.056 -1.477 1.00 0.00 C ATOM 1237 C VAL A 85 1.680 -3.946 -2.803 1.00 0.00 C ATOM 1238 O VAL A 85 1.350 -3.117 -3.651 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.511 -4.561 -1.749 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -1.133 -5.125 -0.480 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.383 -3.457 -2.332 1.00 0.00 C ATOM 0 H VAL A 85 0.277 -2.090 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 85 1.426 -4.778 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.449 -5.362 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.143 -5.475 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.530 -5.958 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.172 -4.347 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.386 -3.843 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.435 -2.625 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.953 -3.112 -3.272 1.00 0.00 H new ATOM 1251 N VAL A 86 2.695 -4.792 -2.966 1.00 0.00 N ATOM 1252 CA VAL A 86 3.510 -4.805 -4.178 1.00 0.00 C ATOM 1253 C VAL A 86 3.415 -6.158 -4.879 1.00 0.00 C ATOM 1254 O VAL A 86 3.673 -7.198 -4.271 1.00 0.00 O ATOM 1255 CB VAL A 86 4.991 -4.497 -3.863 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.794 -4.305 -5.143 1.00 0.00 C ATOM 1257 CG2 VAL A 86 5.104 -3.273 -2.962 1.00 0.00 C ATOM 0 H VAL A 86 2.974 -5.482 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 86 3.122 -4.028 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 86 5.409 -5.352 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.833 -4.089 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.747 -5.214 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.378 -3.474 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.154 -3.072 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.663 -2.411 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.576 -3.459 -2.027 1.00 0.00 H new ATOM 1267 N ASN A 87 3.037 -6.137 -6.158 1.00 0.00 N ATOM 1268 CA ASN A 87 2.895 -7.361 -6.950 1.00 0.00 C ATOM 1269 C ASN A 87 1.796 -8.260 -6.381 1.00 0.00 C ATOM 1270 O ASN A 87 1.903 -9.489 -6.418 1.00 0.00 O ATOM 1271 CB ASN A 87 4.227 -8.127 -7.011 1.00 0.00 C ATOM 1272 CG ASN A 87 4.586 -8.560 -8.422 1.00 0.00 C ATOM 1273 OD1 ASN A 87 5.716 -8.364 -8.872 1.00 0.00 O ATOM 1274 ND2 ASN A 87 3.629 -9.156 -9.128 1.00 0.00 N ATOM 0 H ASN A 87 2.823 -5.281 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 87 2.611 -7.071 -7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.023 -7.497 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.166 -9.006 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.818 -9.470 -10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.706 -9.299 -8.717 1.00 0.00 H new ATOM 1281 N GLY A 88 0.735 -7.640 -5.857 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.369 -8.395 -5.292 1.00 0.00 C ATOM 1283 C GLY A 88 0.016 -9.140 -4.029 1.00 0.00 C ATOM 1284 O GLY A 88 -0.307 -10.318 -3.872 1.00 0.00 O ATOM 0 H GLY A 88 0.624 -6.627 -5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.193 -7.716 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.733 -9.107 -6.032 1.00 0.00 H new ATOM 1288 N LYS A 89 0.707 -8.448 -3.127 1.00 0.00 N ATOM 1289 CA LYS A 89 1.142 -9.032 -1.865 1.00 0.00 C ATOM 1290 C LYS A 89 1.828 -7.979 -0.995 1.00 0.00 C ATOM 1291 O LYS A 89 2.639 -7.189 -1.480 1.00 0.00 O ATOM 1292 CB LYS A 89 2.090 -10.216 -2.105 1.00 0.00 C ATOM 1293 CG LYS A 89 3.196 -9.931 -3.114 1.00 0.00 C ATOM 1294 CD LYS A 89 4.235 -11.041 -3.136 1.00 0.00 C ATOM 1295 CE LYS A 89 3.827 -12.173 -4.070 1.00 0.00 C ATOM 1296 NZ LYS A 89 4.984 -12.702 -4.847 1.00 0.00 N ATOM 0 H LYS A 89 0.979 -7.473 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 89 0.258 -9.399 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.543 -10.503 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.508 -11.070 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.762 -9.818 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.679 -8.985 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.195 -10.635 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.372 -11.432 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.382 -12.980 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.061 -11.816 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.662 -13.470 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.394 -11.939 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.705 -13.066 -4.192 1.00 0.00 H new ATOM 1310 N PHE A 90 1.485 -7.975 0.289 1.00 0.00 N ATOM 1311 CA PHE A 90 2.054 -7.021 1.243 1.00 0.00 C ATOM 1312 C PHE A 90 3.576 -7.159 1.316 1.00 0.00 C ATOM 1313 O PHE A 90 4.096 -8.131 1.868 1.00 0.00 O ATOM 1314 CB PHE A 90 1.438 -7.231 2.631 1.00 0.00 C ATOM 1315 CG PHE A 90 1.811 -6.177 3.637 1.00 0.00 C ATOM 1316 CD1 PHE A 90 1.065 -5.014 3.753 1.00 0.00 C ATOM 1317 CD2 PHE A 90 2.904 -6.352 4.470 1.00 0.00 C ATOM 1318 CE1 PHE A 90 1.404 -4.048 4.680 1.00 0.00 C ATOM 1319 CE2 PHE A 90 3.245 -5.392 5.398 1.00 0.00 C ATOM 1320 CZ PHE A 90 2.495 -4.237 5.505 1.00 0.00 C ATOM 0 H PHE A 90 0.813 -8.624 0.697 1.00 0.00 H new ATOM 0 HA PHE A 90 1.820 -6.014 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.353 -7.257 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.748 -8.205 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.210 -4.862 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.496 -7.252 4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.816 -3.145 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.099 -5.543 6.042 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.761 -3.484 6.232 1.00 0.00 H new ATOM 1330 N TRP A 91 4.281 -6.182 0.746 1.00 0.00 N ATOM 1331 CA TRP A 91 5.745 -6.192 0.735 1.00 0.00 C ATOM 1332 C TRP A 91 6.338 -4.891 1.307 1.00 0.00 C ATOM 1333 O TRP A 91 7.558 -4.713 1.298 1.00 0.00 O ATOM 1334 CB TRP A 91 6.254 -6.413 -0.695 1.00 0.00 C ATOM 1335 CG TRP A 91 7.069 -7.666 -0.867 1.00 0.00 C ATOM 1336 CD1 TRP A 91 6.879 -8.866 -0.243 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.206 -7.837 -1.727 1.00 0.00 C ATOM 1338 NE1 TRP A 91 7.826 -9.771 -0.660 1.00 0.00 N ATOM 1339 CE2 TRP A 91 8.651 -9.163 -1.570 1.00 0.00 C ATOM 1340 CE3 TRP A 91 8.889 -6.997 -2.613 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 9.747 -9.669 -2.268 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 9.976 -7.501 -3.304 1.00 0.00 C ATOM 1343 CH2 TRP A 91 10.395 -8.824 -3.128 1.00 0.00 C ATOM 0 H TRP A 91 3.863 -5.373 0.286 1.00 0.00 H new ATOM 0 HA TRP A 91 6.073 -7.011 1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.400 -6.451 -1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 91 6.858 -5.555 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.098 -9.074 0.474 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.902 -10.738 -0.344 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.573 -5.974 -2.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.073 -10.690 -2.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.511 -6.862 -3.991 1.00 0.00 H new ATOM 0 HH2 TRP A 91 11.248 -9.186 -3.683 1.00 0.00 H new ATOM 1354 N GLY A 92 5.485 -3.989 1.807 1.00 0.00 N ATOM 1355 CA GLY A 92 5.974 -2.736 2.369 1.00 0.00 C ATOM 1356 C GLY A 92 5.098 -2.206 3.490 1.00 0.00 C ATOM 1357 O GLY A 92 3.870 -2.297 3.420 1.00 0.00 O ATOM 0 H GLY A 92 4.472 -4.104 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.986 -2.884 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.034 -1.988 1.578 1.00 0.00 H new ATOM 1361 N THR A 93 5.732 -1.650 4.525 1.00 0.00 N ATOM 1362 CA THR A 93 5.009 -1.101 5.674 1.00 0.00 C ATOM 1363 C THR A 93 5.325 0.384 5.870 1.00 0.00 C ATOM 1364 O THR A 93 6.103 0.969 5.115 1.00 0.00 O ATOM 1365 CB THR A 93 5.363 -1.874 6.955 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.641 -1.494 7.438 1.00 0.00 O ATOM 1367 CG2 THR A 93 5.373 -3.379 6.780 1.00 0.00 C ATOM 0 H THR A 93 6.747 -1.568 4.591 1.00 0.00 H new ATOM 0 HA THR A 93 3.943 -1.207 5.472 1.00 0.00 H new ATOM 0 HB THR A 93 4.575 -1.615 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.845 -1.997 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.631 -3.854 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.386 -3.715 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.109 -3.653 6.024 1.00 0.00 H new ATOM 1375 N GLU A 94 4.732 0.979 6.906 1.00 0.00 N ATOM 1376 CA GLU A 94 4.964 2.387 7.220 1.00 0.00 C ATOM 1377 C GLU A 94 6.362 2.574 7.807 1.00 0.00 C ATOM 1378 O GLU A 94 7.074 3.516 7.458 1.00 0.00 O ATOM 1379 CB GLU A 94 3.910 2.897 8.207 1.00 0.00 C ATOM 1380 CG GLU A 94 3.591 4.375 8.047 1.00 0.00 C ATOM 1381 CD GLU A 94 4.698 5.270 8.573 1.00 0.00 C ATOM 1382 OE1 GLU A 94 4.961 5.236 9.794 1.00 0.00 O ATOM 1383 OE2 GLU A 94 5.304 6.003 7.762 1.00 0.00 O ATOM 0 H GLU A 94 4.088 0.507 7.541 1.00 0.00 H new ATOM 0 HA GLU A 94 4.887 2.963 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.994 2.320 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.259 2.717 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.421 4.594 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.664 4.602 8.573 1.00 0.00 H new ATOM 1390 N SER A 95 6.749 1.658 8.698 1.00 0.00 N ATOM 1391 CA SER A 95 8.064 1.704 9.335 1.00 0.00 C ATOM 1392 C SER A 95 9.170 1.321 8.354 1.00 0.00 C ATOM 1393 O SER A 95 10.285 1.837 8.443 1.00 0.00 O ATOM 1394 CB SER A 95 8.103 0.776 10.556 1.00 0.00 C ATOM 1395 OG SER A 95 8.838 1.356 11.621 1.00 0.00 O ATOM 0 H SER A 95 6.167 0.874 8.994 1.00 0.00 H new ATOM 0 HA SER A 95 8.237 2.730 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.086 0.563 10.886 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.553 -0.177 10.277 1.00 0.00 H new ATOM 0 HG SER A 95 8.844 0.743 12.386 1.00 0.00 H new ATOM 1401 N GLN A 96 8.859 0.421 7.416 1.00 0.00 N ATOM 1402 CA GLN A 96 9.836 -0.019 6.420 1.00 0.00 C ATOM 1403 C GLN A 96 10.471 1.172 5.701 1.00 0.00 C ATOM 1404 O GLN A 96 11.666 1.158 5.400 1.00 0.00 O ATOM 1405 CB GLN A 96 9.173 -0.946 5.395 1.00 0.00 C ATOM 1406 CG GLN A 96 10.164 -1.745 4.564 1.00 0.00 C ATOM 1407 CD GLN A 96 10.597 -1.024 3.298 1.00 0.00 C ATOM 1408 OE1 GLN A 96 9.998 -0.023 2.902 1.00 0.00 O ATOM 1409 NE2 GLN A 96 11.647 -1.528 2.656 1.00 0.00 N ATOM 0 H GLN A 96 7.941 -0.015 7.327 1.00 0.00 H new ATOM 0 HA GLN A 96 10.621 -0.563 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.510 -1.636 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.550 -0.350 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.044 -1.964 5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.716 -2.702 4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.115 -2.359 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.984 -1.084 1.802 1.00 0.00 H new ATOM 1418 N LEU A 97 9.662 2.196 5.426 1.00 0.00 N ATOM 1419 CA LEU A 97 10.140 3.394 4.736 1.00 0.00 C ATOM 1420 C LEU A 97 11.306 4.035 5.487 1.00 0.00 C ATOM 1421 O LEU A 97 12.407 4.152 4.947 1.00 0.00 O ATOM 1422 CB LEU A 97 9.005 4.413 4.564 1.00 0.00 C ATOM 1423 CG LEU A 97 7.704 3.860 3.969 1.00 0.00 C ATOM 1424 CD1 LEU A 97 6.599 4.905 4.047 1.00 0.00 C ATOM 1425 CD2 LEU A 97 7.919 3.410 2.527 1.00 0.00 C ATOM 0 H LEU A 97 8.672 2.219 5.671 1.00 0.00 H new ATOM 0 HA LEU A 97 10.491 3.088 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.782 4.849 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.361 5.222 3.926 1.00 0.00 H new ATOM 0 HG LEU A 97 7.400 2.992 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.682 4.498 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.426 5.175 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.897 5.792 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.984 3.021 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.248 4.258 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.679 2.629 2.499 1.00 0.00 H new ATOM 1437 N HIS A 98 11.063 4.442 6.734 1.00 0.00 N ATOM 1438 CA HIS A 98 12.104 5.068 7.553 1.00 0.00 C ATOM 1439 C HIS A 98 13.260 4.098 7.808 1.00 0.00 C ATOM 1440 O HIS A 98 14.417 4.511 7.871 1.00 0.00 O ATOM 1441 CB HIS A 98 11.526 5.556 8.886 1.00 0.00 C ATOM 1442 CG HIS A 98 11.937 6.954 9.245 1.00 0.00 C ATOM 1443 ND1 HIS A 98 11.762 8.126 8.587 1.00 0.00 N flip ATOM 1444 CD2 HIS A 98 12.610 7.270 10.409 1.00 0.00 C flip ATOM 1445 CE1 HIS A 98 12.322 9.114 9.359 1.00 0.00 C flip ATOM 1446 NE2 HIS A 98 12.826 8.574 10.452 1.00 0.00 N flip ATOM 0 H HIS A 98 10.159 4.350 7.198 1.00 0.00 H new ATOM 0 HA HIS A 98 12.488 5.926 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.438 5.507 8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.842 4.879 9.679 1.00 0.00 H new ATOM 0 HD1 HIS A 98 11.300 8.251 7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.913 6.562 11.166 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.346 10.165 9.111 1.00 0.00 H new ATOM 1455 N ARG A 99 12.938 2.809 7.951 1.00 0.00 N ATOM 1456 CA ARG A 99 13.954 1.784 8.195 1.00 0.00 C ATOM 1457 C ARG A 99 14.961 1.715 7.045 1.00 0.00 C ATOM 1458 O ARG A 99 16.169 1.642 7.273 1.00 0.00 O ATOM 1459 CB ARG A 99 13.298 0.414 8.393 1.00 0.00 C ATOM 1460 CG ARG A 99 13.006 0.072 9.848 1.00 0.00 C ATOM 1461 CD ARG A 99 12.814 -1.425 10.043 1.00 0.00 C ATOM 1462 NE ARG A 99 11.675 -1.730 10.910 1.00 0.00 N ATOM 1463 CZ ARG A 99 11.074 -2.924 10.962 1.00 0.00 C ATOM 1464 NH1 ARG A 99 11.496 -3.930 10.197 1.00 0.00 N ATOM 1465 NH2 ARG A 99 10.047 -3.113 11.783 1.00 0.00 N ATOM 0 H ARG A 99 11.984 2.452 7.902 1.00 0.00 H new ATOM 0 HA ARG A 99 14.489 2.060 9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.366 0.384 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.949 -0.353 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.827 0.419 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.110 0.600 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.667 -1.900 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.720 -1.852 10.473 1.00 0.00 H new ATOM 0 HE ARG A 99 11.318 -0.987 11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.284 -3.794 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.031 -4.837 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.718 -2.348 12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.588 -4.023 11.824 1.00 0.00 H new ATOM 1479 N PHE A 100 14.457 1.737 5.815 1.00 0.00 N ATOM 1480 CA PHE A 100 15.313 1.674 4.631 1.00 0.00 C ATOM 1481 C PHE A 100 15.930 3.036 4.322 1.00 0.00 C ATOM 1482 O PHE A 100 17.107 3.123 3.965 1.00 0.00 O ATOM 1483 CB PHE A 100 14.519 1.172 3.422 1.00 0.00 C ATOM 1484 CG PHE A 100 14.704 -0.294 3.143 1.00 0.00 C ATOM 1485 CD1 PHE A 100 14.562 -1.229 4.156 1.00 0.00 C ATOM 1486 CD2 PHE A 100 15.017 -0.735 1.868 1.00 0.00 C ATOM 1487 CE1 PHE A 100 14.734 -2.577 3.901 1.00 0.00 C ATOM 1488 CE2 PHE A 100 15.190 -2.081 1.609 1.00 0.00 C ATOM 1489 CZ PHE A 100 15.049 -3.002 2.626 1.00 0.00 C ATOM 0 H PHE A 100 13.460 1.798 5.610 1.00 0.00 H new ATOM 0 HA PHE A 100 16.121 0.973 4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 100 13.460 1.371 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.817 1.741 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 100 14.314 -0.901 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 100 15.127 -0.019 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 100 14.622 -3.297 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 100 15.436 -2.412 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 100 15.185 -4.054 2.425 1.00 0.00 H new ATOM 1499 N GLU A 101 15.135 4.099 4.466 1.00 0.00 N ATOM 1500 CA GLU A 101 15.609 5.460 4.207 1.00 0.00 C ATOM 1501 C GLU A 101 16.779 5.811 5.123 1.00 0.00 C ATOM 1502 O GLU A 101 17.753 6.432 4.695 1.00 0.00 O ATOM 1503 CB GLU A 101 14.475 6.474 4.399 1.00 0.00 C ATOM 1504 CG GLU A 101 14.501 7.620 3.393 1.00 0.00 C ATOM 1505 CD GLU A 101 13.235 7.705 2.557 1.00 0.00 C ATOM 1506 OE1 GLU A 101 12.130 7.624 3.135 1.00 0.00 O ATOM 1507 OE2 GLU A 101 13.350 7.856 1.322 1.00 0.00 O ATOM 0 H GLU A 101 14.160 4.043 4.761 1.00 0.00 H new ATOM 0 HA GLU A 101 15.950 5.504 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.519 5.956 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.534 6.885 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.642 8.561 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 101 15.359 7.496 2.732 1.00 0.00 H new ATOM 1514 N ALA A 102 16.677 5.401 6.388 1.00 0.00 N ATOM 1515 CA ALA A 102 17.724 5.662 7.374 1.00 0.00 C ATOM 1516 C ALA A 102 19.009 4.916 7.025 1.00 0.00 C ATOM 1517 O ALA A 102 20.100 5.476 7.111 1.00 0.00 O ATOM 1518 CB ALA A 102 17.247 5.276 8.769 1.00 0.00 C ATOM 0 H ALA A 102 15.877 4.885 6.754 1.00 0.00 H new ATOM 0 HA ALA A 102 17.941 6.730 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.038 5.476 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.364 5.860 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.998 4.215 8.788 1.00 0.00 H new ATOM 1524 N LYS A 103 18.872 3.649 6.627 1.00 0.00 N ATOM 1525 CA LYS A 103 20.017 2.828 6.261 1.00 0.00 C ATOM 1526 C LYS A 103 20.604 3.252 4.914 1.00 0.00 C ATOM 1527 O LYS A 103 21.800 3.086 4.673 1.00 0.00 O ATOM 1528 CB LYS A 103 19.607 1.359 6.203 1.00 0.00 C ATOM 1529 CG LYS A 103 19.245 0.772 7.558 1.00 0.00 C ATOM 1530 CD LYS A 103 19.003 -0.727 7.467 1.00 0.00 C ATOM 1531 CE LYS A 103 17.697 -1.122 8.139 1.00 0.00 C ATOM 1532 NZ LYS A 103 17.866 -2.299 9.039 1.00 0.00 N ATOM 0 H LYS A 103 17.973 3.172 6.551 1.00 0.00 H new ATOM 0 HA LYS A 103 20.784 2.966 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.754 1.255 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.424 0.780 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.048 0.970 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.351 1.264 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.981 -1.030 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.830 -1.259 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 103 17.315 -0.278 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 103 16.952 -1.352 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 16.953 -2.535 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.206 -3.112 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.557 -2.072 9.782 1.00 0.00 H new ATOM 1546 N GLY A 104 19.753 3.787 4.036 1.00 0.00 N ATOM 1547 CA GLY A 104 20.202 4.214 2.722 1.00 0.00 C ATOM 1548 C GLY A 104 20.020 3.139 1.661 1.00 0.00 C ATOM 1549 O GLY A 104 20.727 3.136 0.651 1.00 0.00 O ATOM 0 H GLY A 104 18.759 3.931 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.651 5.107 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.255 4.492 2.775 1.00 0.00 H new ATOM 1553 N THR A 105 19.070 2.225 1.891 1.00 0.00 N ATOM 1554 CA THR A 105 18.800 1.139 0.944 1.00 0.00 C ATOM 1555 C THR A 105 17.436 1.306 0.251 1.00 0.00 C ATOM 1556 O THR A 105 16.976 0.397 -0.444 1.00 0.00 O ATOM 1557 CB THR A 105 18.865 -0.214 1.664 1.00 0.00 C ATOM 1558 OG1 THR A 105 18.140 -0.175 2.882 1.00 0.00 O ATOM 1559 CG2 THR A 105 20.281 -0.646 1.986 1.00 0.00 C ATOM 0 H THR A 105 18.478 2.216 2.722 1.00 0.00 H new ATOM 0 HA THR A 105 19.567 1.177 0.171 1.00 0.00 H new ATOM 0 HB THR A 105 18.427 -0.932 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.187 -0.313 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 105 20.261 -1.610 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.853 -0.735 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.749 0.096 2.633 1.00 0.00 H new ATOM 1567 N LEU A 106 16.798 2.469 0.433 1.00 0.00 N ATOM 1568 CA LEU A 106 15.498 2.741 -0.187 1.00 0.00 C ATOM 1569 C LEU A 106 15.624 2.809 -1.711 1.00 0.00 C ATOM 1570 O LEU A 106 14.853 2.175 -2.428 1.00 0.00 O ATOM 1571 CB LEU A 106 14.909 4.054 0.349 1.00 0.00 C ATOM 1572 CG LEU A 106 13.378 4.100 0.486 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.695 3.776 -0.836 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.904 3.148 1.575 1.00 0.00 C ATOM 0 H LEU A 106 17.160 3.233 1.003 1.00 0.00 H new ATOM 0 HA LEU A 106 14.826 1.922 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.348 4.253 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.219 4.864 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 106 13.102 5.116 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.614 3.817 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.998 4.503 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.984 2.776 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.818 3.197 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.204 2.130 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.350 3.434 2.527 1.00 0.00 H new ATOM 1586 N GLU A 107 16.603 3.580 -2.198 1.00 0.00 N ATOM 1587 CA GLU A 107 16.824 3.728 -3.639 1.00 0.00 C ATOM 1588 C GLU A 107 17.173 2.390 -4.290 1.00 0.00 C ATOM 1589 O GLU A 107 16.623 2.041 -5.336 1.00 0.00 O ATOM 1590 CB GLU A 107 17.936 4.744 -3.914 1.00 0.00 C ATOM 1591 CG GLU A 107 17.446 6.184 -3.990 1.00 0.00 C ATOM 1592 CD GLU A 107 17.397 6.727 -5.409 1.00 0.00 C ATOM 1593 OE1 GLU A 107 18.356 6.493 -6.173 1.00 0.00 O ATOM 1594 OE2 GLU A 107 16.396 7.392 -5.753 1.00 0.00 O ATOM 0 H GLU A 107 17.253 4.109 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 107 15.894 4.090 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.688 4.667 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.427 4.487 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.451 6.246 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.100 6.816 -3.389 1.00 0.00 H new ATOM 1601 N GLU A 108 18.089 1.644 -3.668 1.00 0.00 N ATOM 1602 CA GLU A 108 18.508 0.345 -4.190 1.00 0.00 C ATOM 1603 C GLU A 108 17.308 -0.587 -4.357 1.00 0.00 C ATOM 1604 O GLU A 108 17.179 -1.271 -5.376 1.00 0.00 O ATOM 1605 CB GLU A 108 19.546 -0.296 -3.263 1.00 0.00 C ATOM 1606 CG GLU A 108 20.349 -1.407 -3.924 1.00 0.00 C ATOM 1607 CD GLU A 108 20.939 -2.384 -2.924 1.00 0.00 C ATOM 1608 OE1 GLU A 108 20.170 -3.184 -2.348 1.00 0.00 O ATOM 1609 OE2 GLU A 108 22.170 -2.351 -2.722 1.00 0.00 O ATOM 0 H GLU A 108 18.554 1.919 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 108 18.960 0.505 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.231 0.475 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.039 -0.698 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.707 -1.949 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.154 -0.966 -4.512 1.00 0.00 H new ATOM 1616 N GLU A 109 16.429 -0.601 -3.354 1.00 0.00 N ATOM 1617 CA GLU A 109 15.231 -1.439 -3.388 1.00 0.00 C ATOM 1618 C GLU A 109 14.207 -0.897 -4.388 1.00 0.00 C ATOM 1619 O GLU A 109 13.557 -1.665 -5.094 1.00 0.00 O ATOM 1620 CB GLU A 109 14.602 -1.524 -1.994 1.00 0.00 C ATOM 1621 CG GLU A 109 14.010 -2.892 -1.676 1.00 0.00 C ATOM 1622 CD GLU A 109 12.492 -2.889 -1.550 1.00 0.00 C ATOM 1623 OE1 GLU A 109 11.899 -1.802 -1.374 1.00 0.00 O ATOM 1624 OE2 GLU A 109 11.896 -3.983 -1.620 1.00 0.00 O ATOM 0 H GLU A 109 16.525 -0.040 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 109 15.529 -2.437 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.358 -1.282 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.819 -0.770 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.299 -3.594 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 109 14.442 -3.257 -0.744 1.00 0.00 H new ATOM 1631 N LEU A 110 14.073 0.431 -4.438 1.00 0.00 N ATOM 1632 CA LEU A 110 13.129 1.090 -5.345 1.00 0.00 C ATOM 1633 C LEU A 110 13.381 0.686 -6.799 1.00 0.00 C ATOM 1634 O LEU A 110 12.441 0.421 -7.549 1.00 0.00 O ATOM 1635 CB LEU A 110 13.223 2.614 -5.199 1.00 0.00 C ATOM 1636 CG LEU A 110 11.951 3.389 -5.550 1.00 0.00 C ATOM 1637 CD1 LEU A 110 10.903 3.229 -4.457 1.00 0.00 C ATOM 1638 CD2 LEU A 110 12.266 4.862 -5.772 1.00 0.00 C ATOM 0 H LEU A 110 14.610 1.075 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 110 12.124 0.767 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.497 2.847 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.033 2.973 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 110 11.547 2.978 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.007 3.788 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.652 2.174 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.298 3.610 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.349 5.397 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.697 5.283 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.978 4.962 -6.591 1.00 0.00 H new ATOM 1650 N THR A 111 14.653 0.640 -7.190 1.00 0.00 N ATOM 1651 CA THR A 111 15.021 0.262 -8.553 1.00 0.00 C ATOM 1652 C THR A 111 14.930 -1.256 -8.742 1.00 0.00 C ATOM 1653 O THR A 111 14.602 -1.734 -9.829 1.00 0.00 O ATOM 1654 CB THR A 111 16.437 0.750 -8.886 1.00 0.00 C ATOM 1655 OG1 THR A 111 16.657 2.049 -8.360 1.00 0.00 O ATOM 1656 CG2 THR A 111 16.716 0.808 -10.374 1.00 0.00 C ATOM 0 H THR A 111 15.444 0.859 -6.584 1.00 0.00 H new ATOM 0 HA THR A 111 14.317 0.739 -9.235 1.00 0.00 H new ATOM 0 HB THR A 111 17.107 0.020 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 111 16.797 1.990 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.734 1.161 -10.540 1.00 0.00 H new ATOM 0 HG22 THR A 111 16.602 -0.187 -10.805 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.013 1.492 -10.850 1.00 0.00 H new ATOM 1664 N LYS A 112 15.224 -2.008 -7.677 1.00 0.00 N ATOM 1665 CA LYS A 112 15.179 -3.470 -7.723 1.00 0.00 C ATOM 1666 C LYS A 112 13.743 -3.984 -7.868 1.00 0.00 C ATOM 1667 O LYS A 112 13.487 -4.905 -8.644 1.00 0.00 O ATOM 1668 CB LYS A 112 15.825 -4.063 -6.466 1.00 0.00 C ATOM 1669 CG LYS A 112 16.243 -5.520 -6.619 1.00 0.00 C ATOM 1670 CD LYS A 112 17.304 -5.906 -5.599 1.00 0.00 C ATOM 1671 CE LYS A 112 18.701 -5.861 -6.201 1.00 0.00 C ATOM 1672 NZ LYS A 112 19.757 -5.791 -5.153 1.00 0.00 N ATOM 0 H LYS A 112 15.496 -1.626 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 112 15.741 -3.791 -8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.701 -3.469 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.124 -3.981 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.372 -6.164 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.627 -5.686 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.253 -5.230 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.101 -6.909 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.859 -6.746 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.785 -4.996 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 20.693 -5.762 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.622 -4.933 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 19.694 -6.629 -4.540 1.00 0.00 H new ATOM 1686 N ILE A 113 12.812 -3.389 -7.115 1.00 0.00 N ATOM 1687 CA ILE A 113 11.403 -3.796 -7.162 1.00 0.00 C ATOM 1688 C ILE A 113 10.779 -3.539 -8.537 1.00 0.00 C ATOM 1689 O ILE A 113 9.789 -4.176 -8.902 1.00 0.00 O ATOM 1690 CB ILE A 113 10.550 -3.071 -6.091 1.00 0.00 C ATOM 1691 CG1 ILE A 113 10.592 -1.554 -6.300 1.00 0.00 C ATOM 1692 CG2 ILE A 113 11.022 -3.436 -4.687 1.00 0.00 C ATOM 1693 CD1 ILE A 113 9.719 -0.779 -5.336 1.00 0.00 C ATOM 0 H ILE A 113 13.008 -2.626 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 113 11.400 -4.867 -6.958 1.00 0.00 H new ATOM 0 HB ILE A 113 9.517 -3.401 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.622 -1.211 -6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.280 -1.329 -7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.409 -2.916 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.930 -4.512 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.064 -3.141 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.802 0.287 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.681 -1.092 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.044 -0.973 -4.314 1.00 0.00 H new ATOM 1705 N GLY A 114 11.353 -2.599 -9.288 1.00 0.00 N ATOM 1706 CA GLY A 114 10.832 -2.271 -10.604 1.00 0.00 C ATOM 1707 C GLY A 114 10.017 -0.990 -10.605 1.00 0.00 C ATOM 1708 O GLY A 114 9.150 -0.802 -11.459 1.00 0.00 O ATOM 0 H GLY A 114 12.171 -2.059 -9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.661 -2.171 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.211 -3.093 -10.960 1.00 0.00 H new ATOM 1712 N LEU A 115 10.294 -0.102 -9.645 1.00 0.00 N ATOM 1713 CA LEU A 115 9.581 1.168 -9.541 1.00 0.00 C ATOM 1714 C LEU A 115 10.165 2.197 -10.505 1.00 0.00 C ATOM 1715 O LEU A 115 9.429 2.877 -11.219 1.00 0.00 O ATOM 1716 CB LEU A 115 9.641 1.694 -8.105 1.00 0.00 C ATOM 1717 CG LEU A 115 8.455 2.566 -7.681 1.00 0.00 C ATOM 1718 CD1 LEU A 115 7.965 2.168 -6.296 1.00 0.00 C ATOM 1719 CD2 LEU A 115 8.845 4.036 -7.712 1.00 0.00 C ATOM 0 H LEU A 115 11.008 -0.243 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 115 8.539 0.998 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.708 0.844 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.558 2.271 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 115 7.639 2.410 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.122 2.799 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.649 1.125 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.772 2.295 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.993 4.645 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.675 4.207 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.146 4.311 -8.723 1.00 0.00 H new ATOM 1731 N LEU A 116 11.492 2.302 -10.525 1.00 0.00 N ATOM 1732 CA LEU A 116 12.175 3.242 -11.412 1.00 0.00 C ATOM 1733 C LEU A 116 11.965 2.859 -12.880 1.00 0.00 C ATOM 1734 O LEU A 116 11.419 3.646 -13.654 1.00 0.00 O ATOM 1735 CB LEU A 116 13.672 3.309 -11.083 1.00 0.00 C ATOM 1736 CG LEU A 116 14.150 4.639 -10.492 1.00 0.00 C ATOM 1737 CD1 LEU A 116 13.350 4.986 -9.243 1.00 0.00 C ATOM 1738 CD2 LEU A 116 15.640 4.581 -10.177 1.00 0.00 C ATOM 0 H LEU A 116 12.116 1.748 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 116 11.743 4.230 -11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.909 2.511 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.237 3.110 -11.994 1.00 0.00 H new ATOM 0 HG LEU A 116 13.988 5.423 -11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.703 5.934 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.294 5.072 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.480 4.201 -8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.961 5.535 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.829 3.786 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.198 4.381 -11.092 1.00 0.00 H new ATOM 1750 N PRO A 117 12.392 1.643 -13.286 1.00 0.00 N ATOM 1751 CA PRO A 117 12.235 1.174 -14.668 1.00 0.00 C ATOM 1752 C PRO A 117 10.784 0.826 -15.005 1.00 0.00 C ATOM 1753 O PRO A 117 10.274 1.343 -16.020 1.00 0.00 O ATOM 1754 CB PRO A 117 13.116 -0.075 -14.722 1.00 0.00 C ATOM 1755 CG PRO A 117 13.154 -0.579 -13.320 1.00 0.00 C ATOM 1756 CD PRO A 117 13.053 0.631 -12.432 1.00 0.00 C ATOM 1757 OXT PRO A 117 10.168 0.045 -14.248 1.00 0.00 O ATOM 0 HA PRO A 117 12.515 1.939 -15.392 1.00 0.00 H new ATOM 0 HB2 PRO A 117 12.701 -0.822 -15.399 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.116 0.163 -15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 117 12.331 -1.268 -13.132 1.00 0.00 H new ATOM 0 HG3 PRO A 117 14.077 -1.126 -13.128 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.469 0.421 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.036 0.967 -12.101 1.00 0.00 H new