USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1048 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 52 CYS SG : rot 74:sc= 1.27 USER MOD Set 1.2: B 52 CYS SG : rot 69:sc= 1.19 USER MOD Set 2.1: B 27 GLN :FLIP amide:sc= 0.613 F(o=0.024,f=1.6) USER MOD Set 2.2: B 64 SER OG : rot 103:sc= 0.953 USER MOD Set 3.1: A 81 THR OG1 : rot 66:sc= 1.63 USER MOD Set 3.2: B 17 ASN : amide:sc= -2.74! C(o=-1.1!,f=-4.4!) USER MOD Set 3.3: B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 27 GLN :FLIP amide:sc= 0.741 F(o=0.093,f=1.7) USER MOD Set 4.2: A 64 SER OG : rot 102:sc= 0.909 USER MOD Set 5.1: A 17 ASN : amide:sc= -2.8! C(o=-1.2!,f=-4.5!) USER MOD Set 5.2: B 81 THR OG1 : rot 66:sc= 1.61 USER MOD Single : A 15 MET CE :methyl 163:sc= -0.123 (180deg=-0.732) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 1.14 (180deg=0.977) USER MOD Single : A 23 TYR OH : rot 166:sc= -2.12! USER MOD Single : A 30 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.9!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0553 F(o=-3.1!,f=-0.055) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 43 GLN : amide:sc= -0.835 X(o=-0.84,f=-0.76) USER MOD Single : A 45 SER OG : rot -134:sc= 0.904 USER MOD Single : A 51 GLN : amide:sc= -0.0407 K(o=-0.041,f=-0.58) USER MOD Single : A 55 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 60 THR OG1 : rot -16:sc= 0.558 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.23 F(o=-1.9!,f=-1.2) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc=-0.00728 (180deg=-0.132) USER MOD Single : B 15 MET CE :methyl 149:sc= -0.156 (180deg=-0.656) USER MOD Single : B 19 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.01) USER MOD Single : B 23 TYR OH : rot 166:sc= -2.19! USER MOD Single : B 30 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.0507 F(o=-3!,f=-0.051) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0.0127 USER MOD Single : B 43 GLN : amide:sc= -0.835 X(o=-0.84,f=-0.79) USER MOD Single : B 45 SER OG : rot -127:sc= 0.897 USER MOD Single : B 51 GLN : amide:sc= -0.0494 K(o=-0.049,f=-0.69) USER MOD Single : B 55 THR OG1 : rot 79:sc= 1.12 USER MOD Single : B 60 THR OG1 : rot -15:sc= 0.541 USER MOD Single : B 70 GLN : amide:sc= -1.69! X(o=-1.7!,f=-1.3) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : B 83 LYS NZ :NH3+ 170:sc=-0.00761 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 16.960 7.809 -2.700 1.00 2.26 N ATOM 2 CA MET A 15 15.736 7.723 -1.874 1.00 1.69 C ATOM 3 C MET A 15 14.648 6.967 -2.621 1.00 1.42 C ATOM 4 O MET A 15 14.281 7.336 -3.735 1.00 1.57 O ATOM 5 CB MET A 15 15.242 9.124 -1.505 1.00 1.82 C ATOM 6 CG MET A 15 13.949 9.127 -0.703 1.00 2.22 C ATOM 7 SD MET A 15 13.463 10.780 -0.162 1.00 3.04 S ATOM 8 CE MET A 15 13.381 11.642 -1.731 1.00 3.68 C ATOM 0 HA MET A 15 15.975 7.183 -0.958 1.00 1.69 H new ATOM 0 HB2 MET A 15 16.016 9.633 -0.931 1.00 1.82 H new ATOM 0 HB3 MET A 15 15.093 9.699 -2.419 1.00 1.82 H new ATOM 0 HG2 MET A 15 13.150 8.699 -1.309 1.00 2.22 H new ATOM 0 HG3 MET A 15 14.067 8.484 0.170 1.00 2.22 H new ATOM 0 HE1 MET A 15 12.814 12.565 -1.610 1.00 3.68 H new ATOM 0 HE2 MET A 15 14.390 11.877 -2.070 1.00 3.68 H new ATOM 0 HE3 MET A 15 12.889 11.008 -2.469 1.00 3.68 H new ATOM 20 N ASP A 16 14.134 5.912 -2.004 1.00 1.26 N ATOM 21 CA ASP A 16 13.111 5.085 -2.629 1.00 1.13 C ATOM 22 C ASP A 16 11.742 5.344 -2.022 1.00 0.92 C ATOM 23 O ASP A 16 11.576 5.335 -0.803 1.00 1.01 O ATOM 24 CB ASP A 16 13.445 3.601 -2.486 1.00 1.39 C ATOM 25 CG ASP A 16 14.506 3.133 -3.454 1.00 1.84 C ATOM 26 OD1 ASP A 16 14.211 3.041 -4.662 1.00 2.28 O ATOM 27 OD2 ASP A 16 15.637 2.843 -3.009 1.00 2.40 O ATOM 0 H ASP A 16 14.409 5.608 -1.070 1.00 1.26 H new ATOM 0 HA ASP A 16 13.088 5.352 -3.686 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.781 3.408 -1.467 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.539 3.015 -2.639 1.00 1.39 H new ATOM 32 N ASN A 17 10.770 5.567 -2.891 1.00 0.78 N ATOM 33 CA ASN A 17 9.386 5.771 -2.482 1.00 0.74 C ATOM 34 C ASN A 17 8.685 4.443 -2.243 1.00 0.61 C ATOM 35 O ASN A 17 7.956 4.284 -1.265 1.00 0.65 O ATOM 36 CB ASN A 17 8.637 6.570 -3.552 1.00 0.92 C ATOM 37 CG ASN A 17 7.136 6.348 -3.510 1.00 1.56 C ATOM 38 OD1 ASN A 17 6.599 5.509 -4.235 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.455 7.089 -2.658 1.00 1.71 N ATOM 0 H ASN A 17 10.916 5.612 -3.900 1.00 0.78 H new ATOM 0 HA ASN A 17 9.387 6.330 -1.546 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.846 7.631 -3.419 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.013 6.292 -4.536 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.444 6.979 -2.581 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.939 7.772 -2.076 1.00 1.71 H new ATOM 46 N LYS A 18 8.933 3.489 -3.127 1.00 0.59 N ATOM 47 CA LYS A 18 8.211 2.224 -3.117 1.00 0.62 C ATOM 48 C LYS A 18 8.447 1.447 -1.826 1.00 0.53 C ATOM 49 O LYS A 18 7.499 0.985 -1.191 1.00 0.48 O ATOM 50 CB LYS A 18 8.595 1.378 -4.336 1.00 0.82 C ATOM 51 CG LYS A 18 7.871 1.777 -5.618 1.00 1.09 C ATOM 52 CD LYS A 18 8.183 3.207 -6.032 1.00 1.04 C ATOM 53 CE LYS A 18 7.368 3.631 -7.241 1.00 1.44 C ATOM 54 NZ LYS A 18 7.586 5.059 -7.587 1.00 1.90 N ATOM 0 H LYS A 18 9.633 3.567 -3.865 1.00 0.59 H new ATOM 0 HA LYS A 18 7.146 2.452 -3.169 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.670 1.458 -4.497 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.382 0.331 -4.121 1.00 0.82 H new ATOM 0 HG2 LYS A 18 8.156 1.097 -6.421 1.00 1.09 H new ATOM 0 HG3 LYS A 18 6.796 1.668 -5.475 1.00 1.09 H new ATOM 0 HD2 LYS A 18 7.977 3.880 -5.200 1.00 1.04 H new ATOM 0 HD3 LYS A 18 9.245 3.297 -6.259 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.634 3.007 -8.094 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.310 3.464 -7.041 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.011 5.307 -8.418 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 7.308 5.657 -6.783 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 8.591 5.214 -7.803 1.00 1.90 H new ATOM 68 N LYS A 19 9.703 1.320 -1.423 1.00 0.60 N ATOM 69 CA LYS A 19 10.026 0.577 -0.213 1.00 0.61 C ATOM 70 C LYS A 19 9.534 1.309 1.037 1.00 0.53 C ATOM 71 O LYS A 19 9.221 0.681 2.046 1.00 0.55 O ATOM 72 CB LYS A 19 11.534 0.274 -0.132 1.00 0.77 C ATOM 73 CG LYS A 19 12.454 1.492 -0.175 1.00 0.82 C ATOM 74 CD LYS A 19 12.569 2.206 1.168 1.00 1.19 C ATOM 75 CE LYS A 19 13.100 1.294 2.265 1.00 1.06 C ATOM 76 NZ LYS A 19 14.413 0.693 1.915 1.00 1.49 N ATOM 0 H LYS A 19 10.507 1.717 -1.909 1.00 0.60 H new ATOM 0 HA LYS A 19 9.501 -0.377 -0.260 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.728 -0.273 0.791 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.798 -0.388 -0.957 1.00 0.77 H new ATOM 0 HG2 LYS A 19 13.446 1.178 -0.499 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.082 2.194 -0.922 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.229 3.067 1.064 1.00 1.19 H new ATOM 0 HD3 LYS A 19 11.590 2.588 1.459 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.198 1.862 3.190 1.00 1.06 H new ATOM 0 HE3 LYS A 19 12.378 0.499 2.454 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 14.749 0.108 2.706 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 14.309 0.101 1.066 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.102 1.449 1.727 1.00 1.49 H new ATOM 90 N ARG A 20 9.450 2.634 0.967 1.00 0.54 N ATOM 91 CA ARG A 20 8.960 3.409 2.096 1.00 0.58 C ATOM 92 C ARG A 20 7.449 3.284 2.200 1.00 0.54 C ATOM 93 O ARG A 20 6.897 3.235 3.294 1.00 0.61 O ATOM 94 CB ARG A 20 9.368 4.880 1.993 1.00 0.70 C ATOM 95 CG ARG A 20 10.851 5.118 2.232 1.00 0.82 C ATOM 96 CD ARG A 20 11.182 6.601 2.250 1.00 1.01 C ATOM 97 NE ARG A 20 12.612 6.845 2.441 1.00 1.31 N ATOM 98 CZ ARG A 20 13.134 8.039 2.729 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.347 9.101 2.863 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.445 8.169 2.881 1.00 2.34 N ATOM 0 H ARG A 20 9.712 3.186 0.150 1.00 0.54 H new ATOM 0 HA ARG A 20 9.416 3.005 3.000 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.103 5.254 1.004 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.794 5.459 2.716 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.145 4.667 3.180 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.430 4.624 1.451 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.859 7.055 1.313 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.622 7.087 3.049 1.00 1.01 H new ATOM 0 HE ARG A 20 13.249 6.054 2.348 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.338 9.006 2.746 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.752 10.011 3.083 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.053 7.357 2.778 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.845 9.081 3.101 1.00 2.34 H new ATOM 114 N LEU A 21 6.801 3.224 1.050 1.00 0.54 N ATOM 115 CA LEU A 21 5.365 3.000 0.973 1.00 0.59 C ATOM 116 C LEU A 21 4.991 1.675 1.637 1.00 0.57 C ATOM 117 O LEU A 21 4.046 1.607 2.425 1.00 0.64 O ATOM 118 CB LEU A 21 4.938 3.013 -0.503 1.00 0.64 C ATOM 119 CG LEU A 21 3.517 2.536 -0.809 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.496 3.319 0.001 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.223 2.690 -2.290 1.00 0.61 C ATOM 0 H LEU A 21 7.254 3.329 0.142 1.00 0.54 H new ATOM 0 HA LEU A 21 4.842 3.794 1.506 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.044 4.030 -0.880 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.635 2.391 -1.065 1.00 0.64 H new ATOM 0 HG LEU A 21 3.445 1.484 -0.534 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.493 2.961 -0.234 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.691 3.180 1.064 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.571 4.378 -0.246 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.209 2.348 -2.497 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.317 3.739 -2.572 1.00 0.61 H new ATOM 0 HD23 LEU A 21 3.932 2.094 -2.865 1.00 0.61 H new ATOM 133 N ALA A 22 5.762 0.639 1.333 1.00 0.56 N ATOM 134 CA ALA A 22 5.496 -0.705 1.832 1.00 0.63 C ATOM 135 C ALA A 22 5.456 -0.769 3.353 1.00 0.51 C ATOM 136 O ALA A 22 4.408 -1.035 3.944 1.00 0.44 O ATOM 137 CB ALA A 22 6.549 -1.662 1.315 1.00 0.83 C ATOM 0 H ALA A 22 6.586 0.705 0.736 1.00 0.56 H new ATOM 0 HA ALA A 22 4.510 -0.992 1.467 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.345 -2.665 1.691 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.528 -1.672 0.225 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.533 -1.339 1.656 1.00 0.83 H new ATOM 143 N TYR A 23 6.599 -0.522 3.986 1.00 0.62 N ATOM 144 CA TYR A 23 6.722 -0.701 5.429 1.00 0.76 C ATOM 145 C TYR A 23 5.788 0.248 6.169 1.00 0.67 C ATOM 146 O TYR A 23 5.269 -0.079 7.234 1.00 0.67 O ATOM 147 CB TYR A 23 8.174 -0.482 5.883 1.00 1.11 C ATOM 148 CG TYR A 23 8.521 0.959 6.179 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.267 1.508 7.429 1.00 1.46 C ATOM 150 CD2 TYR A 23 9.081 1.774 5.208 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.560 2.825 7.702 1.00 1.82 C ATOM 152 CE2 TYR A 23 9.373 3.096 5.472 1.00 2.48 C ATOM 153 CZ TYR A 23 9.113 3.617 6.717 1.00 2.23 C ATOM 154 OH TYR A 23 9.391 4.941 6.968 1.00 2.99 O ATOM 0 H TYR A 23 7.450 -0.199 3.525 1.00 0.62 H new ATOM 0 HA TYR A 23 6.437 -1.725 5.669 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.357 -1.079 6.777 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.845 -0.854 5.108 1.00 1.11 H new ATOM 0 HD1 TYR A 23 7.832 0.891 8.201 1.00 1.46 H new ATOM 0 HD2 TYR A 23 9.292 1.368 4.230 1.00 1.86 H new ATOM 0 HE1 TYR A 23 8.358 3.235 8.680 1.00 1.82 H new ATOM 0 HE2 TYR A 23 9.804 3.720 4.703 1.00 2.48 H new ATOM 0 HH TYR A 23 9.974 5.292 6.263 1.00 2.99 H new ATOM 164 N ALA A 24 5.590 1.424 5.592 1.00 0.72 N ATOM 165 CA ALA A 24 4.741 2.447 6.185 1.00 0.87 C ATOM 166 C ALA A 24 3.307 1.963 6.315 1.00 0.75 C ATOM 167 O ALA A 24 2.648 2.193 7.328 1.00 0.84 O ATOM 168 CB ALA A 24 4.787 3.707 5.351 1.00 1.14 C ATOM 0 H ALA A 24 6.011 1.695 4.704 1.00 0.72 H new ATOM 0 HA ALA A 24 5.119 2.662 7.184 1.00 0.87 H new ATOM 0 HB1 ALA A 24 4.149 4.466 5.803 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.812 4.075 5.305 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.434 3.489 4.343 1.00 1.14 H new ATOM 174 N ILE A 25 2.828 1.299 5.280 1.00 0.62 N ATOM 175 CA ILE A 25 1.507 0.707 5.312 1.00 0.71 C ATOM 176 C ILE A 25 1.483 -0.455 6.295 1.00 0.61 C ATOM 177 O ILE A 25 0.501 -0.653 7.007 1.00 0.66 O ATOM 178 CB ILE A 25 1.069 0.255 3.904 1.00 0.80 C ATOM 179 CG1 ILE A 25 0.878 1.485 3.021 1.00 0.97 C ATOM 180 CG2 ILE A 25 -0.209 -0.569 3.961 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.416 1.163 1.624 1.00 0.89 C ATOM 0 H ILE A 25 3.336 1.157 4.407 1.00 0.62 H new ATOM 0 HA ILE A 25 0.795 1.460 5.648 1.00 0.71 H new ATOM 0 HB ILE A 25 1.846 -0.381 3.480 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.152 2.149 3.490 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.820 2.031 2.966 1.00 0.97 H new ATOM 0 HG21 ILE A 25 -0.492 -0.872 2.953 1.00 0.91 H new ATOM 0 HG22 ILE A 25 -0.044 -1.455 4.574 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -1.009 0.030 4.397 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.303 2.087 1.056 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.152 0.525 1.135 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.542 0.644 1.668 1.00 0.89 H new ATOM 193 N ILE A 26 2.587 -1.195 6.361 1.00 0.53 N ATOM 194 CA ILE A 26 2.729 -2.255 7.351 1.00 0.53 C ATOM 195 C ILE A 26 2.594 -1.681 8.762 1.00 0.51 C ATOM 196 O ILE A 26 1.986 -2.297 9.630 1.00 0.53 O ATOM 197 CB ILE A 26 4.082 -2.997 7.240 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.257 -3.621 5.848 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.170 -4.066 8.319 1.00 0.62 C ATOM 200 CD1 ILE A 26 5.585 -4.335 5.655 1.00 0.78 C ATOM 0 H ILE A 26 3.391 -1.080 5.744 1.00 0.53 H new ATOM 0 HA ILE A 26 1.934 -2.974 7.153 1.00 0.53 H new ATOM 0 HB ILE A 26 4.887 -2.276 7.384 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.447 -4.329 5.673 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.164 -2.838 5.095 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.124 -4.587 8.238 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.094 -3.599 9.301 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.355 -4.779 8.192 1.00 0.62 H new ATOM 0 HD11 ILE A 26 5.633 -4.749 4.648 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.402 -3.628 5.796 1.00 0.78 H new ATOM 0 HD13 ILE A 26 5.674 -5.141 6.383 1.00 0.78 H new ATOM 212 N GLN A 27 3.154 -0.488 8.972 1.00 0.54 N ATOM 213 CA GLN A 27 3.071 0.192 10.266 1.00 0.62 C ATOM 214 C GLN A 27 1.621 0.329 10.708 1.00 0.55 C ATOM 215 O GLN A 27 1.251 -0.052 11.820 1.00 0.57 O ATOM 216 CB GLN A 27 3.694 1.590 10.190 1.00 0.79 C ATOM 217 CG GLN A 27 5.174 1.606 9.857 1.00 0.89 C ATOM 218 CD GLN A 27 5.987 0.709 10.761 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.208 -0.518 10.322 1.00 1.58 O flip ATOM 220 NE2 GLN A 27 6.423 1.118 11.836 1.00 1.34 N flip ATOM 0 H GLN A 27 3.671 0.028 8.260 1.00 0.54 H new ATOM 0 HA GLN A 27 3.621 -0.412 10.988 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.160 2.171 9.438 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.545 2.092 11.146 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.312 1.293 8.822 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.548 2.627 9.934 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.228 2.073 12.135 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.980 0.502 12.428 1.00 1.34 H new ATOM 229 N PHE A 28 0.807 0.872 9.819 1.00 0.52 N ATOM 230 CA PHE A 28 -0.596 1.090 10.105 1.00 0.51 C ATOM 231 C PHE A 28 -1.336 -0.237 10.194 1.00 0.43 C ATOM 232 O PHE A 28 -2.071 -0.478 11.144 1.00 0.42 O ATOM 233 CB PHE A 28 -1.223 1.978 9.032 1.00 0.60 C ATOM 234 CG PHE A 28 -2.685 2.240 9.244 1.00 0.90 C ATOM 235 CD1 PHE A 28 -3.117 2.974 10.336 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.627 1.753 8.353 1.00 1.62 C ATOM 237 CE1 PHE A 28 -4.461 3.214 10.538 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.972 1.991 8.548 1.00 1.95 C ATOM 239 CZ PHE A 28 -5.390 2.723 9.643 1.00 1.83 C ATOM 0 H PHE A 28 1.098 1.171 8.888 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.678 1.595 11.068 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.693 2.930 9.005 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -1.085 1.509 8.058 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.394 3.363 11.038 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -3.305 1.180 7.496 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -4.785 3.785 11.395 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.697 1.606 7.846 1.00 1.95 H new ATOM 0 HZ PHE A 28 -6.442 2.911 9.798 1.00 1.83 H new ATOM 249 N LEU A 29 -1.116 -1.099 9.209 1.00 0.45 N ATOM 250 CA LEU A 29 -1.786 -2.395 9.153 1.00 0.45 C ATOM 251 C LEU A 29 -1.448 -3.258 10.362 1.00 0.45 C ATOM 252 O LEU A 29 -2.266 -4.060 10.793 1.00 0.48 O ATOM 253 CB LEU A 29 -1.438 -3.133 7.858 1.00 0.53 C ATOM 254 CG LEU A 29 -2.377 -2.864 6.675 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.512 -1.372 6.400 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.880 -3.596 5.437 1.00 0.70 C ATOM 0 H LEU A 29 -0.476 -0.924 8.434 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.859 -2.205 9.170 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.424 -2.859 7.565 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.433 -4.204 8.060 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.367 -3.240 6.935 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.184 -1.217 5.556 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.916 -0.875 7.282 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.533 -0.955 6.165 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.553 -3.399 4.603 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.879 -3.247 5.185 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.852 -4.668 5.635 1.00 0.70 H new ATOM 268 N HIS A 30 -0.249 -3.087 10.904 1.00 0.47 N ATOM 269 CA HIS A 30 0.160 -3.796 12.114 1.00 0.53 C ATOM 270 C HIS A 30 -0.770 -3.460 13.277 1.00 0.47 C ATOM 271 O HIS A 30 -1.387 -4.343 13.874 1.00 0.49 O ATOM 272 CB HIS A 30 1.605 -3.430 12.482 1.00 0.67 C ATOM 273 CG HIS A 30 2.037 -3.934 13.826 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.000 -3.158 14.967 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.513 -5.140 14.210 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.431 -3.868 15.991 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.749 -5.073 15.559 1.00 1.41 N ATOM 0 H HIS A 30 0.461 -2.461 10.524 1.00 0.47 H new ATOM 0 HA HIS A 30 0.101 -4.867 11.918 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.276 -3.831 11.722 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.711 -2.345 12.460 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.688 -2.188 15.011 1.00 1.11 H new ATOM 0 HD2 HIS A 30 2.677 -5.996 13.573 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.510 -3.522 17.011 1.00 1.37 H new ATOM 286 N ASP A 31 -0.865 -2.179 13.590 1.00 0.48 N ATOM 287 CA ASP A 31 -1.678 -1.725 14.710 1.00 0.51 C ATOM 288 C ASP A 31 -3.158 -1.875 14.394 1.00 0.45 C ATOM 289 O ASP A 31 -3.961 -2.192 15.270 1.00 0.49 O ATOM 290 CB ASP A 31 -1.346 -0.272 15.051 1.00 0.63 C ATOM 291 CG ASP A 31 0.005 -0.131 15.727 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.005 -0.663 15.198 1.00 1.98 O ATOM 293 OD2 ASP A 31 0.071 0.503 16.804 1.00 1.79 O ATOM 0 H ASP A 31 -0.389 -1.432 13.084 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.451 -2.346 15.577 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.357 0.324 14.139 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -2.120 0.131 15.704 1.00 0.63 H new ATOM 298 N GLN A 32 -3.501 -1.668 13.132 1.00 0.42 N ATOM 299 CA GLN A 32 -4.869 -1.833 12.656 1.00 0.43 C ATOM 300 C GLN A 32 -5.306 -3.289 12.783 1.00 0.38 C ATOM 301 O GLN A 32 -6.477 -3.582 13.026 1.00 0.43 O ATOM 302 CB GLN A 32 -4.954 -1.390 11.196 1.00 0.52 C ATOM 303 CG GLN A 32 -6.351 -1.435 10.607 1.00 0.57 C ATOM 304 CD GLN A 32 -6.362 -1.110 9.127 1.00 1.17 C ATOM 305 OE1 GLN A 32 -5.294 -1.478 8.429 1.00 1.92 O flip ATOM 306 NE2 GLN A 32 -7.325 -0.544 8.611 1.00 1.31 N flip ATOM 0 H GLN A 32 -2.841 -1.381 12.409 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.533 -1.219 13.264 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.572 -0.373 11.115 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.300 -2.025 10.598 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.776 -2.426 10.762 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.989 -0.728 11.137 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -8.127 -0.278 9.183 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -7.322 -0.341 7.611 1.00 1.31 H new ATOM 315 N LEU A 33 -4.349 -4.192 12.614 1.00 0.36 N ATOM 316 CA LEU A 33 -4.595 -5.622 12.731 1.00 0.42 C ATOM 317 C LEU A 33 -5.047 -5.948 14.147 1.00 0.46 C ATOM 318 O LEU A 33 -6.111 -6.530 14.358 1.00 0.54 O ATOM 319 CB LEU A 33 -3.307 -6.390 12.390 1.00 0.53 C ATOM 320 CG LEU A 33 -3.484 -7.789 11.792 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.026 -8.769 12.822 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.399 -7.724 10.582 1.00 0.83 C ATOM 0 H LEU A 33 -3.382 -3.954 12.392 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.380 -5.919 12.036 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.727 -5.790 11.689 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.713 -6.480 13.299 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.505 -8.151 11.478 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.140 -9.752 12.365 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.332 -8.837 13.660 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.995 -8.421 13.180 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.519 -8.723 10.163 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.373 -7.337 10.882 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.963 -7.066 9.831 1.00 0.83 H new ATOM 334 N ARG A 34 -4.243 -5.531 15.112 1.00 0.47 N ATOM 335 CA ARG A 34 -4.523 -5.788 16.516 1.00 0.58 C ATOM 336 C ARG A 34 -5.738 -4.989 16.988 1.00 0.58 C ATOM 337 O ARG A 34 -6.436 -5.388 17.922 1.00 0.69 O ATOM 338 CB ARG A 34 -3.295 -5.435 17.361 1.00 0.69 C ATOM 339 CG ARG A 34 -3.416 -5.830 18.822 1.00 1.40 C ATOM 340 CD ARG A 34 -3.505 -7.340 18.986 1.00 1.45 C ATOM 341 NE ARG A 34 -3.620 -7.736 20.388 1.00 2.17 N ATOM 342 CZ ARG A 34 -3.758 -8.997 20.799 1.00 2.52 C ATOM 343 NH1 ARG A 34 -3.811 -9.987 19.915 1.00 2.19 N ATOM 344 NH2 ARG A 34 -3.851 -9.266 22.095 1.00 3.49 N ATOM 0 H ARG A 34 -3.383 -5.008 14.946 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.750 -6.847 16.636 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.420 -5.925 16.934 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.121 -4.361 17.299 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -2.555 -5.453 19.374 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -4.301 -5.363 19.254 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -4.366 -7.714 18.433 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -2.620 -7.804 18.550 1.00 1.45 H new ATOM 0 HE ARG A 34 -3.593 -7.002 21.096 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.746 -9.784 18.918 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -3.917 -10.950 20.234 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -3.817 -8.508 22.777 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -3.957 -10.231 22.409 1.00 3.49 H new ATOM 358 N HIS A 35 -5.998 -3.869 16.328 1.00 0.53 N ATOM 359 CA HIS A 35 -7.100 -2.997 16.712 1.00 0.58 C ATOM 360 C HIS A 35 -8.418 -3.483 16.112 1.00 0.58 C ATOM 361 O HIS A 35 -9.494 -3.064 16.532 1.00 0.74 O ATOM 362 CB HIS A 35 -6.816 -1.557 16.275 1.00 0.59 C ATOM 363 CG HIS A 35 -7.702 -0.539 16.923 1.00 1.15 C ATOM 364 ND1 HIS A 35 -8.454 0.366 16.211 1.00 1.98 N ATOM 365 CD2 HIS A 35 -7.940 -0.278 18.229 1.00 1.61 C ATOM 366 CE1 HIS A 35 -9.115 1.141 17.048 1.00 2.68 C ATOM 367 NE2 HIS A 35 -8.824 0.771 18.280 1.00 2.42 N ATOM 0 H HIS A 35 -5.461 -3.543 15.524 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.191 -3.024 17.798 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -5.777 -1.317 16.502 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -6.930 -1.487 15.193 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -7.514 -0.798 19.074 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -9.782 1.944 16.771 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -9.195 1.195 19.131 1.00 2.42 H new ATOM 376 N GLY A 36 -8.320 -4.373 15.130 1.00 0.49 N ATOM 377 CA GLY A 36 -9.503 -4.925 14.498 1.00 0.51 C ATOM 378 C GLY A 36 -10.129 -3.966 13.506 1.00 0.47 C ATOM 379 O GLY A 36 -11.349 -3.812 13.468 1.00 0.53 O ATOM 0 H GLY A 36 -7.437 -4.723 14.759 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.240 -5.851 13.987 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.235 -5.180 15.264 1.00 0.51 H new ATOM 383 N GLY A 37 -9.291 -3.317 12.706 1.00 0.41 N ATOM 384 CA GLY A 37 -9.777 -2.351 11.737 1.00 0.40 C ATOM 385 C GLY A 37 -10.670 -2.972 10.677 1.00 0.39 C ATOM 386 O GLY A 37 -11.720 -2.426 10.344 1.00 0.52 O ATOM 0 H GLY A 37 -8.279 -3.443 12.711 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.330 -1.569 12.258 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.927 -1.871 11.252 1.00 0.40 H new ATOM 390 N LEU A 38 -10.256 -4.116 10.150 1.00 0.36 N ATOM 391 CA LEU A 38 -11.013 -4.793 9.103 1.00 0.41 C ATOM 392 C LEU A 38 -11.840 -5.934 9.684 1.00 0.49 C ATOM 393 O LEU A 38 -11.869 -6.131 10.900 1.00 0.83 O ATOM 394 CB LEU A 38 -10.079 -5.331 8.007 1.00 0.44 C ATOM 395 CG LEU A 38 -9.596 -4.314 6.960 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.771 -3.720 6.200 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.773 -3.211 7.602 1.00 0.47 C ATOM 0 H LEU A 38 -9.400 -4.596 10.429 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.687 -4.061 8.658 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.204 -5.768 8.488 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.593 -6.139 7.487 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.959 -4.847 6.254 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.404 -3.003 5.465 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.315 -4.516 5.691 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.438 -3.214 6.898 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.446 -2.508 6.836 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.380 -2.687 8.340 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.901 -3.645 8.091 1.00 0.47 H new ATOM 409 N SER A 39 -12.511 -6.677 8.815 1.00 0.47 N ATOM 410 CA SER A 39 -13.324 -7.811 9.234 1.00 0.54 C ATOM 411 C SER A 39 -12.440 -8.996 9.645 1.00 0.48 C ATOM 412 O SER A 39 -11.216 -8.887 9.643 1.00 0.46 O ATOM 413 CB SER A 39 -14.267 -8.204 8.100 1.00 0.67 C ATOM 414 OG SER A 39 -15.026 -7.083 7.667 1.00 1.42 O ATOM 0 H SER A 39 -12.508 -6.513 7.808 1.00 0.47 H new ATOM 0 HA SER A 39 -13.913 -7.524 10.105 1.00 0.54 H new ATOM 0 HB2 SER A 39 -13.692 -8.605 7.265 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.937 -8.996 8.435 1.00 0.67 H new ATOM 0 HG SER A 39 -15.623 -7.354 6.939 1.00 1.42 H new ATOM 420 N SER A 40 -13.060 -10.120 9.988 1.00 0.60 N ATOM 421 CA SER A 40 -12.332 -11.283 10.489 1.00 0.61 C ATOM 422 C SER A 40 -11.363 -11.847 9.445 1.00 0.53 C ATOM 423 O SER A 40 -10.149 -11.877 9.665 1.00 0.50 O ATOM 424 CB SER A 40 -13.326 -12.356 10.939 1.00 0.77 C ATOM 425 OG SER A 40 -14.352 -12.539 9.973 1.00 1.63 O ATOM 0 H SER A 40 -14.070 -10.252 9.928 1.00 0.60 H new ATOM 0 HA SER A 40 -11.731 -10.965 11.341 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.801 -13.298 11.100 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.768 -12.070 11.894 1.00 0.77 H new ATOM 0 HG SER A 40 -14.973 -13.231 10.283 1.00 1.63 H new ATOM 431 N ASP A 41 -11.899 -12.279 8.309 1.00 0.57 N ATOM 432 CA ASP A 41 -11.082 -12.850 7.239 1.00 0.58 C ATOM 433 C ASP A 41 -10.167 -11.789 6.645 1.00 0.53 C ATOM 434 O ASP A 41 -9.012 -12.056 6.307 1.00 0.56 O ATOM 435 CB ASP A 41 -11.976 -13.446 6.147 1.00 0.71 C ATOM 436 CG ASP A 41 -11.185 -13.985 4.972 1.00 1.25 C ATOM 437 OD1 ASP A 41 -10.659 -15.113 5.073 1.00 2.20 O ATOM 438 OD2 ASP A 41 -11.099 -13.292 3.933 1.00 1.69 O ATOM 0 H ASP A 41 -12.897 -12.245 8.103 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.467 -13.644 7.661 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.577 -14.249 6.574 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.669 -12.682 5.794 1.00 0.71 H new ATOM 443 N ALA A 42 -10.696 -10.580 6.541 1.00 0.51 N ATOM 444 CA ALA A 42 -9.943 -9.446 6.025 1.00 0.51 C ATOM 445 C ALA A 42 -8.723 -9.160 6.896 1.00 0.47 C ATOM 446 O ALA A 42 -7.649 -8.832 6.392 1.00 0.52 O ATOM 447 CB ALA A 42 -10.844 -8.226 5.954 1.00 0.54 C ATOM 0 H ALA A 42 -11.654 -10.357 6.810 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.588 -9.688 5.023 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.279 -7.378 5.568 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.685 -8.433 5.293 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.216 -7.990 6.951 1.00 0.54 H new ATOM 453 N GLN A 43 -8.906 -9.291 8.205 1.00 0.44 N ATOM 454 CA GLN A 43 -7.831 -9.102 9.170 1.00 0.45 C ATOM 455 C GLN A 43 -6.696 -10.085 8.898 1.00 0.45 C ATOM 456 O GLN A 43 -5.544 -9.691 8.719 1.00 0.48 O ATOM 457 CB GLN A 43 -8.377 -9.309 10.585 1.00 0.49 C ATOM 458 CG GLN A 43 -7.392 -8.974 11.688 1.00 0.82 C ATOM 459 CD GLN A 43 -7.938 -9.280 13.070 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.189 -9.622 13.983 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.245 -9.150 13.237 1.00 1.12 N ATOM 0 H GLN A 43 -9.803 -9.531 8.626 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.440 -8.089 9.077 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.269 -8.695 10.711 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.687 -10.348 10.694 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.472 -9.537 11.532 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -7.132 -7.917 11.630 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.833 -8.864 12.454 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.664 -9.336 14.148 1.00 1.12 H new ATOM 470 N GLU A 44 -7.038 -11.366 8.833 1.00 0.49 N ATOM 471 CA GLU A 44 -6.051 -12.409 8.581 1.00 0.54 C ATOM 472 C GLU A 44 -5.312 -12.148 7.274 1.00 0.51 C ATOM 473 O GLU A 44 -4.121 -12.432 7.149 1.00 0.50 O ATOM 474 CB GLU A 44 -6.727 -13.777 8.520 1.00 0.68 C ATOM 475 CG GLU A 44 -7.513 -14.135 9.769 1.00 1.20 C ATOM 476 CD GLU A 44 -8.096 -15.526 9.689 1.00 1.65 C ATOM 477 OE1 GLU A 44 -9.167 -15.690 9.073 1.00 2.20 O ATOM 478 OE2 GLU A 44 -7.470 -16.470 10.215 1.00 2.36 O ATOM 0 H GLU A 44 -7.992 -11.708 8.951 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.333 -12.399 9.401 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.398 -13.801 7.662 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.966 -14.539 8.351 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -6.862 -14.064 10.640 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.316 -13.412 9.912 1.00 1.20 H new ATOM 485 N SER A 45 -6.030 -11.586 6.309 1.00 0.54 N ATOM 486 CA SER A 45 -5.472 -11.313 4.998 1.00 0.59 C ATOM 487 C SER A 45 -4.443 -10.179 5.058 1.00 0.55 C ATOM 488 O SER A 45 -3.521 -10.134 4.241 1.00 0.58 O ATOM 489 CB SER A 45 -6.595 -10.975 4.014 1.00 0.71 C ATOM 490 OG SER A 45 -6.139 -11.033 2.674 1.00 1.04 O ATOM 0 H SER A 45 -7.006 -11.310 6.415 1.00 0.54 H new ATOM 0 HA SER A 45 -4.955 -12.207 4.651 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.422 -11.672 4.149 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.980 -9.978 4.227 1.00 0.71 H new ATOM 0 HG SER A 45 -6.452 -10.242 2.187 1.00 1.04 H new ATOM 496 N LEU A 46 -4.590 -9.270 6.028 1.00 0.56 N ATOM 497 CA LEU A 46 -3.618 -8.190 6.200 1.00 0.60 C ATOM 498 C LEU A 46 -2.262 -8.771 6.546 1.00 0.50 C ATOM 499 O LEU A 46 -1.259 -8.425 5.930 1.00 0.48 O ATOM 500 CB LEU A 46 -4.016 -7.215 7.314 1.00 0.74 C ATOM 501 CG LEU A 46 -5.339 -6.475 7.135 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.523 -5.440 8.234 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.407 -5.808 5.770 1.00 1.14 C ATOM 0 H LEU A 46 -5.361 -9.261 6.696 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.585 -7.644 5.257 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.060 -7.769 8.252 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.223 -6.474 7.418 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.146 -7.205 7.201 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.471 -4.922 8.091 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.523 -5.936 9.205 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.706 -4.719 8.195 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.359 -5.287 5.666 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.590 -5.093 5.673 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.321 -6.565 4.990 1.00 1.14 H new ATOM 515 N GLU A 47 -2.249 -9.665 7.529 1.00 0.49 N ATOM 516 CA GLU A 47 -1.008 -10.271 7.998 1.00 0.48 C ATOM 517 C GLU A 47 -0.284 -10.975 6.854 1.00 0.43 C ATOM 518 O GLU A 47 0.936 -10.859 6.714 1.00 0.45 O ATOM 519 CB GLU A 47 -1.289 -11.255 9.134 1.00 0.55 C ATOM 520 CG GLU A 47 -0.031 -11.841 9.750 1.00 0.81 C ATOM 521 CD GLU A 47 -0.325 -12.794 10.887 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.529 -13.999 10.625 1.00 1.51 O ATOM 523 OE2 GLU A 47 -0.348 -12.348 12.049 1.00 1.76 O ATOM 0 H GLU A 47 -3.085 -9.986 8.017 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.363 -9.477 8.376 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.862 -10.748 9.910 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.911 -12.066 8.756 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.535 -12.365 8.980 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.601 -11.031 10.115 1.00 0.81 H new ATOM 530 N VAL A 48 -1.043 -11.688 6.029 1.00 0.41 N ATOM 531 CA VAL A 48 -0.482 -12.360 4.865 1.00 0.42 C ATOM 532 C VAL A 48 0.097 -11.337 3.895 1.00 0.41 C ATOM 533 O VAL A 48 1.238 -11.463 3.446 1.00 0.43 O ATOM 534 CB VAL A 48 -1.538 -13.211 4.128 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.909 -13.965 2.967 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.216 -14.177 5.081 1.00 0.49 C ATOM 0 H VAL A 48 -2.048 -11.815 6.146 1.00 0.41 H new ATOM 0 HA VAL A 48 0.305 -13.023 5.224 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.295 -12.535 3.730 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.672 -14.558 2.462 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.477 -13.254 2.263 1.00 0.49 H new ATOM 0 HG13 VAL A 48 -0.127 -14.624 3.343 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.956 -14.765 4.538 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.471 -14.843 5.515 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.710 -13.618 5.876 1.00 0.49 H new ATOM 546 N ALA A 49 -0.693 -10.312 3.596 1.00 0.41 N ATOM 547 CA ALA A 49 -0.286 -9.264 2.671 1.00 0.43 C ATOM 548 C ALA A 49 0.953 -8.533 3.171 1.00 0.43 C ATOM 549 O ALA A 49 1.814 -8.152 2.380 1.00 0.48 O ATOM 550 CB ALA A 49 -1.425 -8.285 2.456 1.00 0.44 C ATOM 0 H ALA A 49 -1.627 -10.185 3.986 1.00 0.41 H new ATOM 0 HA ALA A 49 -0.035 -9.733 1.720 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -1.109 -7.506 1.762 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.285 -8.812 2.042 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.701 -7.833 3.409 1.00 0.44 H new ATOM 556 N ILE A 50 1.032 -8.340 4.485 1.00 0.40 N ATOM 557 CA ILE A 50 2.192 -7.717 5.107 1.00 0.40 C ATOM 558 C ILE A 50 3.465 -8.468 4.736 1.00 0.38 C ATOM 559 O ILE A 50 4.418 -7.878 4.230 1.00 0.41 O ATOM 560 CB ILE A 50 2.050 -7.664 6.648 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.980 -6.642 7.051 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.384 -7.334 7.307 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.713 -6.589 8.543 1.00 0.61 C ATOM 0 H ILE A 50 0.300 -8.609 5.142 1.00 0.40 H new ATOM 0 HA ILE A 50 2.253 -6.695 4.733 1.00 0.40 H new ATOM 0 HB ILE A 50 1.738 -8.649 6.996 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.289 -5.653 6.712 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.051 -6.880 6.534 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.257 -7.303 8.389 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.116 -8.099 7.049 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.734 -6.364 6.954 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.055 -5.843 8.749 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.372 -7.566 8.887 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.630 -6.320 9.067 1.00 0.61 H new ATOM 575 N GLN A 51 3.457 -9.778 4.954 1.00 0.39 N ATOM 576 CA GLN A 51 4.622 -10.606 4.669 1.00 0.43 C ATOM 577 C GLN A 51 4.918 -10.618 3.172 1.00 0.43 C ATOM 578 O GLN A 51 6.080 -10.638 2.753 1.00 0.47 O ATOM 579 CB GLN A 51 4.396 -12.035 5.172 1.00 0.50 C ATOM 580 CG GLN A 51 3.941 -12.105 6.622 1.00 0.78 C ATOM 581 CD GLN A 51 4.879 -11.386 7.576 1.00 1.02 C ATOM 582 OE1 GLN A 51 6.089 -11.319 7.355 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.323 -10.839 8.644 1.00 1.35 N ATOM 0 H GLN A 51 2.657 -10.289 5.327 1.00 0.39 H new ATOM 0 HA GLN A 51 5.480 -10.181 5.190 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.650 -12.519 4.542 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.321 -12.601 5.063 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.945 -11.671 6.705 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.859 -13.150 6.921 1.00 0.78 H new ATOM 0 HE21 GLN A 51 3.317 -10.917 8.791 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.900 -10.340 9.320 1.00 1.35 H new ATOM 592 N CYS A 52 3.860 -10.593 2.371 1.00 0.45 N ATOM 593 CA CYS A 52 3.996 -10.589 0.921 1.00 0.53 C ATOM 594 C CYS A 52 4.650 -9.297 0.437 1.00 0.53 C ATOM 595 O CYS A 52 5.634 -9.337 -0.297 1.00 0.60 O ATOM 596 CB CYS A 52 2.632 -10.773 0.254 1.00 0.59 C ATOM 597 SG CYS A 52 1.796 -12.312 0.701 1.00 0.69 S ATOM 0 H CYS A 52 2.896 -10.575 2.703 1.00 0.45 H new ATOM 0 HA CYS A 52 4.639 -11.424 0.641 1.00 0.53 H new ATOM 0 HB2 CYS A 52 1.992 -9.933 0.522 1.00 0.59 H new ATOM 0 HB3 CYS A 52 2.761 -10.743 -0.828 1.00 0.59 H new ATOM 0 HG CYS A 52 1.349 -12.225 1.919 1.00 0.69 H new ATOM 603 N LEU A 53 4.118 -8.154 0.862 1.00 0.50 N ATOM 604 CA LEU A 53 4.659 -6.863 0.446 1.00 0.54 C ATOM 605 C LEU A 53 6.044 -6.635 1.026 1.00 0.51 C ATOM 606 O LEU A 53 6.902 -6.040 0.374 1.00 0.58 O ATOM 607 CB LEU A 53 3.735 -5.715 0.853 1.00 0.63 C ATOM 608 CG LEU A 53 2.457 -5.578 0.025 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.686 -4.337 0.442 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.783 -5.531 -1.463 1.00 0.61 C ATOM 0 H LEU A 53 3.317 -8.095 1.491 1.00 0.50 H new ATOM 0 HA LEU A 53 4.732 -6.883 -0.641 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.458 -5.847 1.899 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.293 -4.781 0.787 1.00 0.63 H new ATOM 0 HG LEU A 53 1.832 -6.452 0.210 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.779 -4.254 -0.157 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.419 -4.412 1.496 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.306 -3.454 0.286 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.860 -5.433 -2.035 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.429 -4.677 -1.667 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.294 -6.449 -1.753 1.00 0.61 H new ATOM 622 N GLU A 54 6.255 -7.107 2.248 1.00 0.47 N ATOM 623 CA GLU A 54 7.555 -7.002 2.894 1.00 0.51 C ATOM 624 C GLU A 54 8.617 -7.667 2.023 1.00 0.56 C ATOM 625 O GLU A 54 9.642 -7.068 1.699 1.00 0.65 O ATOM 626 CB GLU A 54 7.511 -7.661 4.277 1.00 0.56 C ATOM 627 CG GLU A 54 8.699 -7.314 5.157 1.00 0.73 C ATOM 628 CD GLU A 54 8.689 -8.041 6.482 1.00 1.05 C ATOM 629 OE1 GLU A 54 7.925 -7.646 7.380 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.460 -9.015 6.633 1.00 1.65 O ATOM 0 H GLU A 54 5.540 -7.567 2.812 1.00 0.47 H new ATOM 0 HA GLU A 54 7.809 -5.949 3.020 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.594 -7.360 4.784 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.466 -8.743 4.153 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.620 -7.554 4.625 1.00 0.73 H new ATOM 0 HG3 GLU A 54 8.707 -6.239 5.339 1.00 0.73 H new ATOM 637 N THR A 55 8.331 -8.894 1.614 1.00 0.61 N ATOM 638 CA THR A 55 9.240 -9.666 0.782 1.00 0.78 C ATOM 639 C THR A 55 9.284 -9.118 -0.650 1.00 0.83 C ATOM 640 O THR A 55 10.294 -9.238 -1.345 1.00 0.98 O ATOM 641 CB THR A 55 8.805 -11.145 0.755 1.00 0.95 C ATOM 642 OG1 THR A 55 8.590 -11.612 2.094 1.00 1.00 O ATOM 643 CG2 THR A 55 9.850 -12.013 0.074 1.00 1.16 C ATOM 0 H THR A 55 7.466 -9.380 1.849 1.00 0.61 H new ATOM 0 HA THR A 55 10.238 -9.585 1.212 1.00 0.78 H new ATOM 0 HB THR A 55 7.878 -11.216 0.186 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.721 -11.294 2.416 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.515 -13.050 0.070 1.00 1.16 H new ATOM 0 HG22 THR A 55 9.992 -11.674 -0.952 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.793 -11.938 0.615 1.00 1.16 H new ATOM 651 N ALA A 56 8.186 -8.508 -1.077 1.00 0.77 N ATOM 652 CA ALA A 56 8.062 -7.998 -2.438 1.00 0.88 C ATOM 653 C ALA A 56 8.870 -6.723 -2.646 1.00 0.88 C ATOM 654 O ALA A 56 9.714 -6.653 -3.533 1.00 1.15 O ATOM 655 CB ALA A 56 6.605 -7.749 -2.777 1.00 0.90 C ATOM 0 H ALA A 56 7.362 -8.353 -0.496 1.00 0.77 H new ATOM 0 HA ALA A 56 8.465 -8.758 -3.107 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.528 -7.369 -3.796 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.048 -8.682 -2.695 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.190 -7.017 -2.084 1.00 0.90 H new ATOM 661 N PHE A 57 8.612 -5.714 -1.827 1.00 0.76 N ATOM 662 CA PHE A 57 9.304 -4.444 -1.954 1.00 1.05 C ATOM 663 C PHE A 57 10.742 -4.552 -1.457 1.00 1.56 C ATOM 664 O PHE A 57 11.561 -3.659 -1.686 1.00 2.05 O ATOM 665 CB PHE A 57 8.571 -3.360 -1.172 1.00 1.04 C ATOM 666 CG PHE A 57 7.350 -2.804 -1.854 1.00 0.93 C ATOM 667 CD1 PHE A 57 7.471 -1.842 -2.841 1.00 1.47 C ATOM 668 CD2 PHE A 57 6.079 -3.214 -1.479 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.351 -1.295 -3.440 1.00 1.46 C ATOM 670 CE2 PHE A 57 4.956 -2.676 -2.079 1.00 1.50 C ATOM 671 CZ PHE A 57 5.093 -1.714 -3.059 1.00 0.92 C ATOM 0 H PHE A 57 7.930 -5.752 -1.070 1.00 0.76 H new ATOM 0 HA PHE A 57 9.321 -4.177 -3.011 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.276 -3.767 -0.205 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.264 -2.542 -0.976 1.00 1.04 H new ATOM 0 HD1 PHE A 57 8.453 -1.514 -3.148 1.00 1.47 H new ATOM 0 HD2 PHE A 57 5.966 -3.963 -0.709 1.00 1.50 H new ATOM 0 HE1 PHE A 57 6.461 -0.541 -4.205 1.00 1.46 H new ATOM 0 HE2 PHE A 57 3.972 -3.008 -1.781 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.217 -1.290 -3.527 1.00 0.92 H new ATOM 681 N GLY A 58 11.036 -5.650 -0.774 1.00 1.71 N ATOM 682 CA GLY A 58 12.366 -5.868 -0.253 1.00 2.29 C ATOM 683 C GLY A 58 12.608 -5.089 1.019 1.00 2.05 C ATOM 684 O GLY A 58 13.717 -4.613 1.263 1.00 2.60 O ATOM 0 H GLY A 58 10.371 -6.396 -0.572 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.511 -6.931 -0.061 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.102 -5.577 -1.003 1.00 2.29 H new ATOM 688 N VAL A 59 11.569 -4.955 1.827 1.00 1.35 N ATOM 689 CA VAL A 59 11.661 -4.219 3.074 1.00 1.13 C ATOM 690 C VAL A 59 11.638 -5.170 4.254 1.00 1.04 C ATOM 691 O VAL A 59 11.276 -6.334 4.113 1.00 1.22 O ATOM 692 CB VAL A 59 10.524 -3.181 3.227 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.665 -2.094 2.185 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.154 -3.831 3.124 1.00 1.00 C ATOM 0 H VAL A 59 10.647 -5.350 1.639 1.00 1.35 H new ATOM 0 HA VAL A 59 12.608 -3.679 3.053 1.00 1.13 H new ATOM 0 HB VAL A 59 10.609 -2.740 4.220 1.00 0.93 H new ATOM 0 HG11 VAL A 59 9.859 -1.370 2.303 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.625 -1.592 2.310 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.613 -2.535 1.190 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.381 -3.071 3.236 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.052 -4.312 2.151 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.045 -4.578 3.911 1.00 1.00 H new ATOM 704 N THR A 60 12.056 -4.677 5.401 1.00 1.18 N ATOM 705 CA THR A 60 12.061 -5.457 6.621 1.00 1.30 C ATOM 706 C THR A 60 11.681 -4.583 7.809 1.00 1.16 C ATOM 707 O THR A 60 11.309 -3.420 7.633 1.00 1.15 O ATOM 708 CB THR A 60 13.451 -6.071 6.878 1.00 1.94 C ATOM 709 OG1 THR A 60 14.454 -5.058 6.717 1.00 2.24 O ATOM 710 CG2 THR A 60 13.735 -7.232 5.937 1.00 2.38 C ATOM 0 H THR A 60 12.402 -3.724 5.514 1.00 1.18 H new ATOM 0 HA THR A 60 11.332 -6.259 6.504 1.00 1.30 H new ATOM 0 HB THR A 60 13.469 -6.458 7.897 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.072 -4.292 6.240 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.724 -7.639 6.149 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.985 -8.009 6.081 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.700 -6.881 4.906 1.00 2.38 H new ATOM 718 N VAL A 61 11.792 -5.123 9.013 1.00 1.41 N ATOM 719 CA VAL A 61 11.560 -4.342 10.220 1.00 1.59 C ATOM 720 C VAL A 61 12.659 -3.283 10.390 1.00 1.83 C ATOM 721 O VAL A 61 12.486 -2.293 11.099 1.00 2.11 O ATOM 722 CB VAL A 61 11.479 -5.252 11.470 1.00 1.81 C ATOM 723 CG1 VAL A 61 12.806 -5.948 11.729 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.029 -4.467 12.693 1.00 1.95 C ATOM 0 H VAL A 61 12.041 -6.098 9.181 1.00 1.41 H new ATOM 0 HA VAL A 61 10.601 -3.835 10.116 1.00 1.59 H new ATOM 0 HB VAL A 61 10.731 -6.020 11.272 1.00 1.81 H new ATOM 0 HG11 VAL A 61 12.719 -6.580 12.613 1.00 2.21 H new ATOM 0 HG12 VAL A 61 13.069 -6.562 10.868 1.00 2.21 H new ATOM 0 HG13 VAL A 61 13.583 -5.201 11.892 1.00 2.21 H new ATOM 0 HG21 VAL A 61 10.981 -5.132 13.555 1.00 1.95 H new ATOM 0 HG22 VAL A 61 11.740 -3.665 12.892 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.043 -4.041 12.509 1.00 1.95 H new ATOM 734 N GLU A 62 13.780 -3.482 9.705 1.00 1.89 N ATOM 735 CA GLU A 62 14.846 -2.486 9.679 1.00 2.16 C ATOM 736 C GLU A 62 14.383 -1.256 8.905 1.00 1.64 C ATOM 737 O GLU A 62 14.646 -0.114 9.290 1.00 1.65 O ATOM 738 CB GLU A 62 16.102 -3.077 9.043 1.00 2.87 C ATOM 739 CG GLU A 62 16.706 -4.213 9.853 1.00 3.13 C ATOM 740 CD GLU A 62 17.879 -4.871 9.159 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.000 -4.323 9.214 1.00 4.01 O ATOM 742 OE2 GLU A 62 17.687 -5.939 8.547 1.00 3.98 O ATOM 0 H GLU A 62 13.974 -4.323 9.161 1.00 1.89 H new ATOM 0 HA GLU A 62 15.084 -2.189 10.700 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.859 -3.441 8.045 1.00 2.87 H new ATOM 0 HB3 GLU A 62 16.846 -2.289 8.923 1.00 2.87 H new ATOM 0 HG2 GLU A 62 17.031 -3.830 10.821 1.00 3.13 H new ATOM 0 HG3 GLU A 62 15.938 -4.962 10.048 1.00 3.13 H new ATOM 749 N ASP A 63 13.660 -1.500 7.823 1.00 1.38 N ATOM 750 CA ASP A 63 13.071 -0.429 7.038 1.00 1.61 C ATOM 751 C ASP A 63 11.919 0.197 7.814 1.00 1.60 C ATOM 752 O ASP A 63 11.506 1.318 7.547 1.00 1.95 O ATOM 753 CB ASP A 63 12.581 -0.964 5.693 1.00 1.89 C ATOM 754 CG ASP A 63 13.685 -1.637 4.906 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.937 -2.837 5.140 1.00 3.62 O ATOM 756 OD2 ASP A 63 14.303 -0.977 4.045 1.00 3.35 O ATOM 0 H ASP A 63 13.467 -2.436 7.468 1.00 1.38 H new ATOM 0 HA ASP A 63 13.827 0.333 6.847 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.772 -1.675 5.860 1.00 1.89 H new ATOM 0 HB3 ASP A 63 12.168 -0.143 5.107 1.00 1.89 H new ATOM 761 N SER A 64 11.413 -0.554 8.781 1.00 1.54 N ATOM 762 CA SER A 64 10.400 -0.062 9.700 1.00 1.81 C ATOM 763 C SER A 64 11.038 0.864 10.736 1.00 1.74 C ATOM 764 O SER A 64 10.375 1.722 11.317 1.00 1.93 O ATOM 765 CB SER A 64 9.709 -1.247 10.386 1.00 2.41 C ATOM 766 OG SER A 64 8.770 -0.825 11.355 1.00 2.91 O ATOM 0 H SER A 64 11.693 -1.520 8.950 1.00 1.54 H new ATOM 0 HA SER A 64 9.653 0.507 9.146 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.206 -1.857 9.636 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.460 -1.879 10.860 1.00 2.41 H new ATOM 0 HG SER A 64 7.865 -0.900 10.988 1.00 2.91 H new ATOM 772 N ASP A 65 12.337 0.690 10.950 1.00 1.69 N ATOM 773 CA ASP A 65 13.076 1.498 11.913 1.00 2.03 C ATOM 774 C ASP A 65 13.270 2.916 11.391 1.00 1.90 C ATOM 775 O ASP A 65 13.239 3.883 12.156 1.00 2.28 O ATOM 776 CB ASP A 65 14.430 0.853 12.218 1.00 2.26 C ATOM 777 CG ASP A 65 15.294 1.704 13.125 1.00 2.89 C ATOM 778 OD1 ASP A 65 15.003 1.772 14.337 1.00 3.46 O ATOM 779 OD2 ASP A 65 16.272 2.306 12.629 1.00 3.35 O ATOM 0 H ASP A 65 12.903 -0.007 10.467 1.00 1.69 H new ATOM 0 HA ASP A 65 12.497 1.549 12.835 1.00 2.03 H new ATOM 0 HB2 ASP A 65 14.268 -0.118 12.685 1.00 2.26 H new ATOM 0 HB3 ASP A 65 14.960 0.673 11.283 1.00 2.26 H new ATOM 784 N LEU A 66 13.448 3.043 10.081 1.00 1.52 N ATOM 785 CA LEU A 66 13.614 4.358 9.452 1.00 1.61 C ATOM 786 C LEU A 66 12.260 5.035 9.207 1.00 1.45 C ATOM 787 O LEU A 66 12.128 5.883 8.321 1.00 1.72 O ATOM 788 CB LEU A 66 14.422 4.232 8.146 1.00 1.77 C ATOM 789 CG LEU A 66 13.885 3.246 7.096 1.00 1.59 C ATOM 790 CD1 LEU A 66 12.871 3.909 6.173 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.028 2.663 6.286 1.00 1.57 C ATOM 0 H LEU A 66 13.482 2.257 9.431 1.00 1.52 H new ATOM 0 HA LEU A 66 14.173 4.994 10.138 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.483 5.219 7.687 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.439 3.936 8.402 1.00 1.77 H new ATOM 0 HG LEU A 66 13.377 2.441 7.627 1.00 1.59 H new ATOM 0 HD11 LEU A 66 12.513 3.182 5.444 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.030 4.277 6.761 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.343 4.743 5.653 1.00 1.87 H new ATOM 0 HD21 LEU A 66 14.632 1.967 5.547 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.561 3.467 5.778 1.00 1.57 H new ATOM 0 HD23 LEU A 66 15.713 2.136 6.950 1.00 1.57 H new ATOM 803 N ALA A 67 11.277 4.675 10.033 1.00 1.30 N ATOM 804 CA ALA A 67 9.904 5.158 9.899 1.00 1.26 C ATOM 805 C ALA A 67 9.813 6.677 9.815 1.00 1.27 C ATOM 806 O ALA A 67 10.436 7.400 10.598 1.00 1.53 O ATOM 807 CB ALA A 67 9.066 4.651 11.059 1.00 1.48 C ATOM 0 H ALA A 67 11.412 4.037 10.817 1.00 1.30 H new ATOM 0 HA ALA A 67 9.519 4.767 8.957 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.043 5.014 10.955 1.00 1.48 H new ATOM 0 HB2 ALA A 67 9.066 3.561 11.059 1.00 1.48 H new ATOM 0 HB3 ALA A 67 9.486 5.014 11.997 1.00 1.48 H new ATOM 813 N LEU A 68 9.032 7.147 8.851 1.00 1.15 N ATOM 814 CA LEU A 68 8.787 8.572 8.675 1.00 1.28 C ATOM 815 C LEU A 68 7.979 9.120 9.848 1.00 1.55 C ATOM 816 O LEU A 68 7.137 8.414 10.403 1.00 1.55 O ATOM 817 CB LEU A 68 8.030 8.837 7.366 1.00 1.24 C ATOM 818 CG LEU A 68 8.731 8.378 6.082 1.00 1.18 C ATOM 819 CD1 LEU A 68 7.871 8.696 4.864 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.101 9.028 5.952 1.00 1.18 C ATOM 0 H LEU A 68 8.553 6.555 8.173 1.00 1.15 H new ATOM 0 HA LEU A 68 9.752 9.077 8.633 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.060 8.343 7.424 1.00 1.24 H new ATOM 0 HB3 LEU A 68 7.839 9.907 7.290 1.00 1.24 H new ATOM 0 HG LEU A 68 8.871 7.298 6.136 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.383 8.364 3.961 1.00 1.20 H new ATOM 0 HD12 LEU A 68 6.914 8.181 4.949 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.700 9.771 4.810 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.580 8.688 5.034 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.988 10.112 5.922 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.718 8.751 6.807 1.00 1.18 H new ATOM 832 N PRO A 69 8.237 10.372 10.253 1.00 1.93 N ATOM 833 CA PRO A 69 7.502 11.032 11.338 1.00 2.35 C ATOM 834 C PRO A 69 5.992 11.019 11.114 1.00 2.24 C ATOM 835 O PRO A 69 5.216 10.648 11.999 1.00 2.61 O ATOM 836 CB PRO A 69 8.008 12.479 11.302 1.00 2.74 C ATOM 837 CG PRO A 69 8.772 12.614 10.028 1.00 2.56 C ATOM 838 CD PRO A 69 9.279 11.244 9.697 1.00 2.06 C ATOM 0 HA PRO A 69 7.667 10.525 12.289 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.177 13.184 11.336 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.642 12.692 12.162 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.135 12.996 9.231 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.597 13.317 10.142 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.394 11.103 8.622 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.252 11.052 10.149 1.00 2.06 H new ATOM 846 N GLN A 70 5.593 11.431 9.923 1.00 1.83 N ATOM 847 CA GLN A 70 4.189 11.517 9.561 1.00 1.81 C ATOM 848 C GLN A 70 3.628 10.125 9.289 1.00 1.42 C ATOM 849 O GLN A 70 4.312 9.274 8.723 1.00 1.30 O ATOM 850 CB GLN A 70 4.039 12.403 8.320 1.00 1.92 C ATOM 851 CG GLN A 70 4.732 11.840 7.088 1.00 1.65 C ATOM 852 CD GLN A 70 4.921 12.864 5.988 1.00 2.17 C ATOM 853 OE1 GLN A 70 5.966 12.683 5.199 1.00 2.65 O flip ATOM 854 NE2 GLN A 70 4.143 13.806 5.849 1.00 2.75 N flip ATOM 0 H GLN A 70 6.232 11.715 9.181 1.00 1.83 H new ATOM 0 HA GLN A 70 3.629 11.957 10.387 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.979 12.535 8.103 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.445 13.391 8.537 1.00 1.92 H new ATOM 0 HG2 GLN A 70 5.705 11.443 7.376 1.00 1.65 H new ATOM 0 HG3 GLN A 70 4.149 11.005 6.701 1.00 1.65 H new ATOM 0 HE21 GLN A 70 3.348 13.909 6.480 1.00 2.75 H new ATOM 0 HE22 GLN A 70 4.292 14.485 5.102 1.00 2.75 H new ATOM 863 N THR A 71 2.398 9.887 9.710 1.00 1.36 N ATOM 864 CA THR A 71 1.732 8.637 9.408 1.00 1.13 C ATOM 865 C THR A 71 1.263 8.647 7.961 1.00 0.86 C ATOM 866 O THR A 71 0.704 9.634 7.482 1.00 0.83 O ATOM 867 CB THR A 71 0.544 8.406 10.352 1.00 1.23 C ATOM 868 OG1 THR A 71 -0.127 9.648 10.589 1.00 1.53 O ATOM 869 CG2 THR A 71 1.005 7.804 11.671 1.00 1.55 C ATOM 0 H THR A 71 1.843 10.543 10.260 1.00 1.36 H new ATOM 0 HA THR A 71 2.439 7.820 9.553 1.00 1.13 H new ATOM 0 HB THR A 71 -0.143 7.703 9.881 1.00 1.23 H new ATOM 0 HG1 THR A 71 -0.886 9.500 11.190 1.00 1.53 H new ATOM 0 HG21 THR A 71 0.144 7.650 12.322 1.00 1.55 H new ATOM 0 HG22 THR A 71 1.493 6.848 11.484 1.00 1.55 H new ATOM 0 HG23 THR A 71 1.708 8.482 12.154 1.00 1.55 H new ATOM 877 N LEU A 72 1.500 7.544 7.272 1.00 0.80 N ATOM 878 CA LEU A 72 1.391 7.509 5.821 1.00 0.65 C ATOM 879 C LEU A 72 -0.043 7.343 5.320 1.00 0.65 C ATOM 880 O LEU A 72 -0.457 8.102 4.447 1.00 0.66 O ATOM 881 CB LEU A 72 2.320 6.443 5.243 1.00 0.78 C ATOM 882 CG LEU A 72 3.813 6.816 5.249 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.031 8.140 4.542 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.372 6.881 6.667 1.00 1.79 C ATOM 0 H LEU A 72 1.770 6.656 7.695 1.00 0.80 H new ATOM 0 HA LEU A 72 1.710 8.486 5.458 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.188 5.521 5.809 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.016 6.234 4.217 1.00 0.78 H new ATOM 0 HG LEU A 72 4.349 6.032 4.714 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.092 8.389 4.555 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.689 8.062 3.510 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.468 8.922 5.052 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.428 7.147 6.630 1.00 1.79 H new ATOM 0 HD22 LEU A 72 3.828 7.633 7.238 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.259 5.909 7.147 1.00 1.79 H new ATOM 896 N PRO A 73 -0.830 6.364 5.817 1.00 0.75 N ATOM 897 CA PRO A 73 -2.252 6.283 5.463 1.00 0.84 C ATOM 898 C PRO A 73 -3.004 7.571 5.814 1.00 0.80 C ATOM 899 O PRO A 73 -3.975 7.927 5.152 1.00 0.82 O ATOM 900 CB PRO A 73 -2.759 5.096 6.285 1.00 1.03 C ATOM 901 CG PRO A 73 -1.548 4.258 6.488 1.00 1.07 C ATOM 902 CD PRO A 73 -0.422 5.233 6.676 1.00 0.84 C ATOM 0 HA PRO A 73 -2.408 6.155 4.392 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -3.184 5.420 7.235 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -3.540 4.549 5.757 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -1.658 3.611 7.358 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -1.369 3.610 5.630 1.00 1.07 H new ATOM 0 HD2 PRO A 73 -0.315 5.533 7.718 1.00 0.84 H new ATOM 0 HD3 PRO A 73 0.535 4.813 6.366 1.00 0.84 H new ATOM 910 N GLU A 74 -2.531 8.276 6.841 1.00 0.78 N ATOM 911 CA GLU A 74 -3.107 9.564 7.220 1.00 0.78 C ATOM 912 C GLU A 74 -2.765 10.623 6.175 1.00 0.64 C ATOM 913 O GLU A 74 -3.622 11.402 5.759 1.00 0.64 O ATOM 914 CB GLU A 74 -2.598 10.004 8.592 1.00 0.87 C ATOM 915 CG GLU A 74 -3.202 11.313 9.070 1.00 1.22 C ATOM 916 CD GLU A 74 -2.592 11.799 10.365 1.00 1.48 C ATOM 917 OE1 GLU A 74 -2.972 11.286 11.439 1.00 2.28 O ATOM 918 OE2 GLU A 74 -1.732 12.704 10.320 1.00 1.67 O ATOM 0 H GLU A 74 -1.750 7.976 7.425 1.00 0.78 H new ATOM 0 HA GLU A 74 -4.190 9.450 7.272 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -2.819 9.224 9.320 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.513 10.106 8.553 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -3.066 12.073 8.301 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -4.276 11.185 9.205 1.00 1.22 H new ATOM 925 N ILE A 75 -1.502 10.647 5.758 1.00 0.58 N ATOM 926 CA ILE A 75 -1.070 11.519 4.669 1.00 0.53 C ATOM 927 C ILE A 75 -1.868 11.206 3.412 1.00 0.49 C ATOM 928 O ILE A 75 -2.261 12.098 2.659 1.00 0.53 O ATOM 929 CB ILE A 75 0.442 11.350 4.378 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.273 11.890 5.540 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.840 12.028 3.073 1.00 0.68 C ATOM 932 CD1 ILE A 75 0.949 13.320 5.897 1.00 1.38 C ATOM 0 H ILE A 75 -0.760 10.073 6.157 1.00 0.58 H new ATOM 0 HA ILE A 75 -1.246 12.551 4.973 1.00 0.53 H new ATOM 0 HB ILE A 75 0.643 10.284 4.270 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.113 11.260 6.415 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.330 11.818 5.285 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.907 11.889 2.901 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.279 11.588 2.248 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.618 13.093 3.134 1.00 0.68 H new ATOM 0 HD11 ILE A 75 1.576 13.638 6.730 1.00 1.38 H new ATOM 0 HD12 ILE A 75 1.136 13.961 5.036 1.00 1.38 H new ATOM 0 HD13 ILE A 75 -0.100 13.395 6.184 1.00 1.38 H new ATOM 944 N PHE A 76 -2.125 9.924 3.217 1.00 0.50 N ATOM 945 CA PHE A 76 -2.892 9.455 2.082 1.00 0.56 C ATOM 946 C PHE A 76 -4.323 9.990 2.153 1.00 0.60 C ATOM 947 O PHE A 76 -4.955 10.234 1.125 1.00 0.72 O ATOM 948 CB PHE A 76 -2.887 7.927 2.060 1.00 0.65 C ATOM 949 CG PHE A 76 -2.869 7.342 0.680 1.00 2.05 C ATOM 950 CD1 PHE A 76 -1.670 7.184 0.008 1.00 2.34 C ATOM 951 CD2 PHE A 76 -4.040 6.944 0.060 1.00 2.12 C ATOM 952 CE1 PHE A 76 -1.633 6.638 -1.258 1.00 2.34 C ATOM 953 CE2 PHE A 76 -4.013 6.400 -1.208 1.00 2.24 C ATOM 954 CZ PHE A 76 -2.810 6.245 -1.867 1.00 2.36 C ATOM 0 H PHE A 76 -1.807 9.182 3.841 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.438 9.823 1.162 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.016 7.568 2.608 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.768 7.562 2.588 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.750 7.493 0.482 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -4.983 7.060 0.573 1.00 2.12 H new ATOM 0 HE1 PHE A 76 -0.690 6.518 -1.771 1.00 2.34 H new ATOM 0 HE2 PHE A 76 -4.933 6.096 -1.685 1.00 2.24 H new ATOM 0 HZ PHE A 76 -2.788 5.817 -2.858 1.00 2.36 H new ATOM 964 N GLU A 77 -4.825 10.179 3.371 1.00 0.63 N ATOM 965 CA GLU A 77 -6.150 10.757 3.576 1.00 0.73 C ATOM 966 C GLU A 77 -6.169 12.219 3.144 1.00 0.69 C ATOM 967 O GLU A 77 -7.107 12.677 2.493 1.00 0.80 O ATOM 968 CB GLU A 77 -6.573 10.660 5.046 1.00 0.90 C ATOM 969 CG GLU A 77 -6.744 9.239 5.551 1.00 1.56 C ATOM 970 CD GLU A 77 -7.289 9.184 6.963 1.00 1.94 C ATOM 971 OE1 GLU A 77 -8.500 9.437 7.144 1.00 2.52 O ATOM 972 OE2 GLU A 77 -6.521 8.877 7.899 1.00 2.41 O ATOM 0 H GLU A 77 -4.333 9.940 4.232 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.854 10.189 2.968 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.828 11.165 5.661 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.513 11.196 5.178 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.417 8.699 4.885 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.782 8.727 5.517 1.00 1.56 H new ATOM 979 N ALA A 78 -5.123 12.945 3.503 1.00 0.61 N ATOM 980 CA ALA A 78 -5.047 14.370 3.219 1.00 0.62 C ATOM 981 C ALA A 78 -4.770 14.641 1.742 1.00 0.60 C ATOM 982 O ALA A 78 -5.486 15.404 1.101 1.00 0.65 O ATOM 983 CB ALA A 78 -3.981 15.018 4.087 1.00 0.64 C ATOM 0 H ALA A 78 -4.311 12.570 3.994 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.017 14.809 3.454 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.932 16.084 3.867 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.232 14.875 5.138 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.014 14.560 3.879 1.00 0.64 H new ATOM 989 N ALA A 79 -3.738 14.009 1.205 1.00 0.65 N ATOM 990 CA ALA A 79 -3.332 14.250 -0.174 1.00 0.75 C ATOM 991 C ALA A 79 -4.192 13.471 -1.158 1.00 0.86 C ATOM 992 O ALA A 79 -4.934 14.048 -1.953 1.00 0.99 O ATOM 993 CB ALA A 79 -1.872 13.877 -0.364 1.00 0.83 C ATOM 0 H ALA A 79 -3.166 13.326 1.701 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.467 15.313 -0.375 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.581 14.062 -1.398 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.253 14.480 0.300 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.733 12.821 -0.131 1.00 0.83 H new ATOM 999 N ALA A 80 -4.105 12.152 -1.078 1.00 0.91 N ATOM 1000 CA ALA A 80 -4.719 11.280 -2.068 1.00 1.12 C ATOM 1001 C ALA A 80 -6.236 11.259 -1.944 1.00 1.27 C ATOM 1002 O ALA A 80 -6.946 11.153 -2.940 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.155 9.879 -1.930 1.00 1.25 C ATOM 0 H ALA A 80 -3.612 11.660 -0.333 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.484 11.673 -3.057 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.616 9.227 -2.672 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -3.077 9.904 -2.088 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -4.367 9.498 -0.931 1.00 1.25 H new ATOM 1009 N THR A 81 -6.727 11.357 -0.722 1.00 1.23 N ATOM 1010 CA THR A 81 -8.153 11.320 -0.471 1.00 1.46 C ATOM 1011 C THR A 81 -8.721 12.740 -0.375 1.00 1.63 C ATOM 1012 O THR A 81 -9.936 12.943 -0.338 1.00 1.89 O ATOM 1013 CB THR A 81 -8.428 10.544 0.829 1.00 1.60 C ATOM 1014 OG1 THR A 81 -7.579 9.388 0.883 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.876 10.108 0.910 1.00 1.65 C ATOM 0 H THR A 81 -6.154 11.463 0.115 1.00 1.23 H new ATOM 0 HA THR A 81 -8.645 10.813 -1.301 1.00 1.46 H new ATOM 0 HB THR A 81 -8.220 11.203 1.672 1.00 1.60 H new ATOM 0 HG1 THR A 81 -6.644 9.672 0.951 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.040 9.562 1.839 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.522 10.986 0.886 1.00 1.65 H new ATOM 0 HG23 THR A 81 -10.109 9.462 0.064 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.829 13.722 -0.352 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.248 15.105 -0.241 1.00 2.14 C ATOM 1025 C GLY A 82 -8.406 15.767 -1.591 1.00 2.00 C ATOM 1026 O GLY A 82 -9.297 16.593 -1.787 1.00 2.59 O ATOM 0 H GLY A 82 -6.820 13.584 -0.408 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.194 15.153 0.298 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -7.517 15.658 0.349 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.538 15.411 -2.523 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.609 15.942 -3.874 1.00 2.11 C ATOM 1032 C LYS A 83 -8.592 15.126 -4.704 1.00 2.84 C ATOM 1033 O LYS A 83 -8.291 13.954 -4.994 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.220 15.942 -4.523 1.00 2.31 C ATOM 1035 CG LYS A 83 -6.204 16.421 -5.968 1.00 2.78 C ATOM 1036 CD LYS A 83 -6.703 17.852 -6.097 1.00 3.44 C ATOM 1037 CE LYS A 83 -6.603 18.350 -7.531 1.00 3.93 C ATOM 1038 NZ LYS A 83 -7.417 17.531 -8.470 1.00 4.41 N ATOM 1039 OXT LYS A 83 -9.661 15.662 -5.068 1.00 3.62 O ATOM 0 H LYS A 83 -6.773 14.754 -2.368 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.963 16.972 -3.830 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.557 16.576 -3.935 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -5.813 14.932 -4.483 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -5.190 16.353 -6.362 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -6.826 15.764 -6.575 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -7.739 17.909 -5.762 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -6.121 18.502 -5.444 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -6.933 19.388 -7.577 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -5.560 18.333 -7.848 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -7.442 17.993 -9.402 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -6.993 16.586 -8.563 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -8.386 17.441 -8.102 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -16.821 8.402 2.432 1.00 2.24 N ATOM 1055 CA MET B 15 -15.600 8.246 1.611 1.00 1.67 C ATOM 1056 C MET B 15 -14.531 7.491 2.388 1.00 1.40 C ATOM 1057 O MET B 15 -14.150 7.894 3.487 1.00 1.55 O ATOM 1058 CB MET B 15 -15.067 9.614 1.183 1.00 1.81 C ATOM 1059 CG MET B 15 -13.775 9.543 0.383 1.00 2.21 C ATOM 1060 SD MET B 15 -13.237 11.153 -0.224 1.00 3.03 S ATOM 1061 CE MET B 15 -13.133 12.083 1.304 1.00 3.68 C ATOM 0 HA MET B 15 -15.856 7.674 0.719 1.00 1.67 H new ATOM 0 HB2 MET B 15 -15.826 10.120 0.586 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.901 10.224 2.071 1.00 1.81 H new ATOM 0 HG2 MET B 15 -12.990 9.115 1.007 1.00 2.21 H new ATOM 0 HG3 MET B 15 -13.914 8.869 -0.463 1.00 2.21 H new ATOM 0 HE1 MET B 15 -12.349 12.836 1.219 1.00 3.68 H new ATOM 0 HE2 MET B 15 -14.087 12.573 1.497 1.00 3.68 H new ATOM 0 HE3 MET B 15 -12.899 11.407 2.126 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.051 6.397 1.815 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.051 5.566 2.474 1.00 1.13 C ATOM 1075 C ASP B 16 -11.677 5.762 1.857 1.00 0.91 C ATOM 1076 O ASP B 16 -11.512 5.700 0.641 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.425 4.087 2.395 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.501 3.690 3.376 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -14.210 3.632 4.589 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -15.634 3.409 2.935 1.00 2.42 O ATOM 0 H ASP B 16 -14.337 6.063 0.895 1.00 1.24 H new ATOM 0 HA ASP B 16 -13.021 5.875 3.519 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.762 3.858 1.384 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.536 3.484 2.578 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.699 5.989 2.716 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.309 6.137 2.300 1.00 0.75 C ATOM 1087 C ASN B 17 -8.650 4.779 2.117 1.00 0.62 C ATOM 1088 O ASN B 17 -7.930 4.556 1.145 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.537 6.956 3.339 1.00 0.93 C ATOM 1090 CG ASN B 17 -7.044 6.689 3.306 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -6.531 5.866 4.068 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.342 7.372 2.424 1.00 1.71 N ATOM 0 H ASN B 17 -10.842 6.076 3.722 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.291 6.659 1.343 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.716 8.017 3.165 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.921 6.727 4.333 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.335 7.229 2.353 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.806 8.043 1.812 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.924 3.871 3.042 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.241 2.585 3.085 1.00 0.62 C ATOM 1101 C LYS B 18 -8.503 1.764 1.828 1.00 0.54 C ATOM 1102 O LYS B 18 -7.571 1.245 1.213 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.649 1.803 4.338 1.00 0.82 C ATOM 1104 CG LYS B 18 -7.912 2.234 5.603 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.184 3.688 5.959 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.354 4.136 7.149 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.527 5.583 7.432 1.00 1.89 N ATOM 0 H LYS B 18 -9.619 4.002 3.777 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.170 2.781 3.128 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.721 1.922 4.495 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.468 0.742 4.167 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -8.215 1.596 6.433 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -6.841 2.090 5.464 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -7.962 4.321 5.100 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -9.243 3.816 6.184 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.638 3.558 8.028 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.302 3.927 6.957 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -6.944 5.849 8.251 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -7.232 6.137 6.603 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -8.527 5.779 7.641 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.763 1.659 1.430 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.108 0.874 0.253 1.00 0.61 C ATOM 1123 C LYS B 19 -9.595 1.535 -1.026 1.00 0.53 C ATOM 1124 O LYS B 19 -9.299 0.856 -2.007 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.623 0.610 0.187 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.506 1.853 0.178 1.00 0.82 C ATOM 1127 CD LYS B 19 -12.603 2.513 -1.196 1.00 1.20 C ATOM 1128 CE LYS B 19 -13.161 1.571 -2.251 1.00 1.06 C ATOM 1129 NZ LYS B 19 -14.489 1.020 -1.873 1.00 1.49 N ATOM 0 H LYS B 19 -10.554 2.101 1.898 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.611 -0.092 0.339 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.834 0.029 -0.711 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.904 -0.008 1.040 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -13.507 1.582 0.515 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.113 2.575 0.894 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.238 3.396 -1.128 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -11.614 2.854 -1.503 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.247 2.102 -3.199 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -12.461 0.750 -2.408 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -14.866 0.452 -2.659 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -14.389 0.420 -1.029 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.143 1.802 -1.666 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.472 2.859 -1.013 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.959 3.572 -2.174 1.00 0.59 C ATOM 1145 C ARG B 20 -7.454 3.397 -2.272 1.00 0.55 C ATOM 1146 O ARG B 20 -6.903 3.285 -3.362 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.325 5.058 -2.133 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.800 5.329 -2.380 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.086 6.820 -2.460 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.508 7.097 -2.660 1.00 1.31 N ATOM 1151 CZ ARG B 20 -12.995 8.292 -3.000 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.177 9.323 -3.176 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.302 8.454 -3.158 1.00 2.34 N ATOM 0 H ARG B 20 -9.718 3.452 -0.221 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.426 3.145 -3.061 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.047 5.465 -1.161 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.736 5.589 -2.881 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.109 4.848 -3.308 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.392 4.886 -1.579 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.748 7.303 -1.543 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.514 7.255 -3.279 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.168 6.330 -2.532 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.172 9.203 -3.051 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.554 10.234 -3.436 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -14.934 7.665 -3.020 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.675 9.367 -3.418 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.806 3.367 -1.119 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.378 3.104 -1.032 1.00 0.58 C ATOM 1169 C LEU B 21 -5.043 1.742 -1.641 1.00 0.57 C ATOM 1170 O LEU B 21 -4.101 1.613 -2.424 1.00 0.64 O ATOM 1171 CB LEU B 21 -4.949 3.165 0.443 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.541 2.661 0.768 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.497 3.378 -0.074 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.243 2.868 2.242 1.00 0.61 C ATOM 0 H LEU B 21 -7.255 3.524 -0.217 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.833 3.860 -1.597 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.026 4.199 0.778 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.662 2.586 1.030 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.499 1.597 0.535 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.506 3.001 0.177 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.696 3.199 -1.131 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.540 4.448 0.127 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.239 2.507 2.464 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.308 3.930 2.481 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -3.968 2.317 2.841 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.844 0.743 -1.294 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.619 -0.629 -1.735 1.00 0.63 C ATOM 1188 C ALA B 22 -5.582 -0.758 -3.253 1.00 0.51 C ATOM 1189 O ALA B 22 -4.543 -1.080 -3.832 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.698 -1.532 -1.177 1.00 0.83 C ATOM 0 H ALA B 22 -6.666 0.859 -0.701 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.642 -0.930 -1.358 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.524 -2.555 -1.510 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.675 -1.496 -0.088 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.673 -1.196 -1.531 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.718 -0.505 -3.896 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.848 -0.741 -5.329 1.00 0.75 C ATOM 1198 C TYR B 23 -5.885 0.147 -6.109 1.00 0.66 C ATOM 1199 O TYR B 23 -5.377 -0.240 -7.158 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.292 -0.498 -5.792 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.597 0.940 -6.149 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.327 1.429 -7.422 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -9.130 1.810 -5.214 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.581 2.741 -7.750 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -9.384 3.129 -5.533 1.00 2.48 C ATOM 1206 CZ TYR B 23 -9.108 3.589 -6.799 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.348 4.908 -7.106 1.00 2.99 O ATOM 0 H TYR B 23 -7.558 -0.138 -3.449 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.595 -1.783 -5.525 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.494 -1.126 -6.660 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.973 -0.817 -5.003 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -7.910 0.767 -8.167 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -9.351 1.452 -4.219 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -8.369 3.104 -8.745 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -9.798 3.796 -4.792 1.00 2.48 H new ATOM 0 HH TYR B 23 -9.921 5.305 -6.417 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.652 1.341 -5.581 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.773 2.314 -6.216 1.00 0.87 C ATOM 1219 C ALA B 24 -3.356 1.781 -6.326 1.00 0.75 C ATOM 1220 O ALA B 24 -2.693 1.944 -7.351 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.781 3.608 -5.437 1.00 1.14 C ATOM 0 H ALA B 24 -6.065 1.661 -4.705 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.145 2.500 -7.223 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -4.121 4.328 -5.921 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.794 4.008 -5.407 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.434 3.423 -4.421 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.895 1.148 -5.265 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.593 0.517 -5.270 1.00 0.71 C ATOM 1229 C ILE B 25 -1.603 -0.686 -6.202 1.00 0.61 C ATOM 1230 O ILE B 25 -0.626 -0.945 -6.904 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.166 0.111 -3.844 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -0.937 1.370 -3.013 1.00 0.97 C ATOM 1233 CG2 ILE B 25 0.087 -0.753 -3.864 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.484 1.094 -1.603 1.00 0.89 C ATOM 0 H ILE B 25 -3.406 1.058 -4.387 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.860 1.236 -5.637 1.00 0.71 H new ATOM 0 HB ILE B 25 -1.962 -0.484 -3.395 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.191 1.991 -3.509 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.862 1.946 -2.981 1.00 0.97 H new ATOM 0 HG21 ILE B 25 0.360 -1.021 -2.843 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.105 -1.659 -4.438 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.904 -0.198 -4.325 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.342 2.037 -1.075 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.239 0.500 -1.088 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.457 0.545 -1.624 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.729 -1.395 -6.238 1.00 0.53 N ATOM 1247 CA ILE B 26 -2.903 -2.491 -7.182 1.00 0.53 C ATOM 1248 C ILE B 26 -2.752 -1.982 -8.616 1.00 0.51 C ATOM 1249 O ILE B 26 -2.160 -2.652 -9.455 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.278 -3.187 -7.041 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -4.469 -3.746 -5.623 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.397 -4.298 -8.073 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -5.818 -4.412 -5.402 1.00 0.78 C ATOM 0 H ILE B 26 -3.529 -1.230 -5.627 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.130 -3.224 -6.953 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.062 -2.450 -7.216 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -3.679 -4.469 -5.418 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.353 -2.935 -4.904 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.366 -4.787 -7.972 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.306 -3.876 -9.074 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -3.604 -5.029 -7.914 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -5.878 -4.781 -4.378 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -6.614 -3.687 -5.574 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -5.930 -5.245 -6.096 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.277 -0.784 -8.877 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.174 -0.160 -10.197 1.00 0.62 C ATOM 1267 C GLN B 27 -1.722 -0.086 -10.644 1.00 0.55 C ATOM 1268 O GLN B 27 -1.364 -0.530 -11.738 1.00 0.57 O ATOM 1269 CB GLN B 27 -3.755 1.258 -10.180 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.234 1.332 -9.846 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.075 0.422 -10.711 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.330 -0.780 -10.222 1.00 1.58 O flip ATOM 1273 NE2 GLN B 27 -6.499 0.800 -11.803 1.00 1.34 N flip ATOM 0 H GLN B 27 -3.780 -0.224 -8.188 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.742 -0.776 -10.894 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.202 1.854 -9.454 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.593 1.714 -11.157 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.379 1.067 -8.799 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.578 2.359 -9.965 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -6.277 1.737 -12.140 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.073 0.177 -12.371 1.00 1.34 H new ATOM 1282 N PHE B 28 -0.892 0.471 -9.779 1.00 0.52 N ATOM 1283 CA PHE B 28 0.518 0.634 -10.075 1.00 0.51 C ATOM 1284 C PHE B 28 1.218 -0.716 -10.106 1.00 0.43 C ATOM 1285 O PHE B 28 1.948 -1.019 -11.043 1.00 0.42 O ATOM 1286 CB PHE B 28 1.172 1.547 -9.039 1.00 0.60 C ATOM 1287 CG PHE B 28 2.642 1.756 -9.261 1.00 0.90 C ATOM 1288 CD1 PHE B 28 3.094 2.430 -10.383 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.569 1.281 -8.349 1.00 1.62 C ATOM 1290 CE1 PHE B 28 4.444 2.625 -10.592 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.921 1.472 -8.553 1.00 1.96 C ATOM 1292 CZ PHE B 28 5.359 2.145 -9.677 1.00 1.83 C ATOM 0 H PHE B 28 -1.173 0.819 -8.862 1.00 0.52 H new ATOM 0 HA PHE B 28 0.614 1.093 -11.059 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.670 2.515 -9.052 1.00 0.60 H new ATOM 0 HB3 PHE B 28 1.020 1.123 -8.046 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.382 2.807 -11.102 1.00 1.60 H new ATOM 0 HD2 PHE B 28 3.231 0.755 -7.468 1.00 1.62 H new ATOM 0 HE1 PHE B 28 4.784 3.153 -11.471 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.635 1.096 -7.835 1.00 1.96 H new ATOM 0 HZ PHE B 28 6.416 2.295 -9.840 1.00 1.83 H new ATOM 1302 N LEU B 29 0.972 -1.529 -9.086 1.00 0.45 N ATOM 1303 CA LEU B 29 1.604 -2.841 -8.976 1.00 0.45 C ATOM 1304 C LEU B 29 1.240 -3.744 -10.150 1.00 0.45 C ATOM 1305 O LEU B 29 2.035 -4.585 -10.547 1.00 0.48 O ATOM 1306 CB LEU B 29 1.235 -3.512 -7.651 1.00 0.53 C ATOM 1307 CG LEU B 29 2.183 -3.222 -6.480 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.362 -1.723 -6.266 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.667 -3.886 -5.212 1.00 0.70 C ATOM 0 H LEU B 29 0.337 -1.303 -8.320 1.00 0.45 H new ATOM 0 HA LEU B 29 2.682 -2.685 -9.001 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.231 -3.195 -7.370 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.197 -4.590 -7.807 1.00 0.53 H new ATOM 0 HG LEU B 29 3.160 -3.638 -6.725 1.00 0.59 H new ATOM 0 HD11 LEU B 29 3.039 -1.553 -5.429 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.779 -1.274 -7.167 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.395 -1.269 -6.048 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.347 -3.674 -4.387 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.677 -3.497 -4.975 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.607 -4.964 -5.364 1.00 0.70 H new ATOM 1321 N HIS B 30 0.046 -3.560 -10.698 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.386 -4.306 -11.877 1.00 0.53 C ATOM 1323 C HIS B 30 0.552 -4.048 -13.053 1.00 0.48 C ATOM 1324 O HIS B 30 1.141 -4.974 -13.612 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.821 -3.912 -12.259 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.272 -4.460 -13.581 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.212 -3.735 -14.753 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.781 -5.667 -13.913 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.665 -4.475 -15.748 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.015 -5.652 -15.266 1.00 1.41 N ATOM 0 H HIS B 30 -0.645 -2.898 -10.344 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.359 -5.369 -11.636 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.502 -4.260 -11.482 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.894 -2.825 -12.284 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -1.871 -2.777 -14.838 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -2.969 -6.490 -13.240 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -2.737 -4.169 -16.781 1.00 1.38 H new ATOM 1339 N ASP B 31 0.687 -2.784 -13.419 1.00 0.48 N ATOM 1340 CA ASP B 31 1.512 -2.402 -14.556 1.00 0.52 C ATOM 1341 C ASP B 31 2.987 -2.584 -14.233 1.00 0.45 C ATOM 1342 O ASP B 31 3.780 -2.964 -15.091 1.00 0.50 O ATOM 1343 CB ASP B 31 1.226 -0.955 -14.959 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.121 -0.802 -15.643 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.136 -1.292 -15.099 1.00 1.98 O ATOM 1346 OD2 ASP B 31 -0.170 -0.203 -16.738 1.00 1.79 O ATOM 0 H ASP B 31 0.235 -2.002 -12.945 1.00 0.48 H new ATOM 0 HA ASP B 31 1.263 -3.051 -15.396 1.00 0.52 H new ATOM 0 HB2 ASP B 31 1.255 -0.321 -14.073 1.00 0.63 H new ATOM 0 HB3 ASP B 31 2.012 -0.604 -15.628 1.00 0.63 H new ATOM 1351 N GLN B 32 3.337 -2.331 -12.980 1.00 0.42 N ATOM 1352 CA GLN B 32 4.700 -2.518 -12.496 1.00 0.44 C ATOM 1353 C GLN B 32 5.093 -3.991 -12.564 1.00 0.38 C ATOM 1354 O GLN B 32 6.254 -4.328 -12.794 1.00 0.43 O ATOM 1355 CB GLN B 32 4.801 -2.016 -11.057 1.00 0.52 C ATOM 1356 CG GLN B 32 6.197 -2.077 -10.466 1.00 0.57 C ATOM 1357 CD GLN B 32 6.219 -1.691 -9.001 1.00 1.17 C ATOM 1358 OE1 GLN B 32 5.140 -1.998 -8.287 1.00 1.93 O flip ATOM 1359 NE2 GLN B 32 7.199 -1.134 -8.509 1.00 1.31 N flip ATOM 0 H GLN B 32 2.687 -1.991 -12.271 1.00 0.42 H new ATOM 0 HA GLN B 32 5.383 -1.950 -13.128 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.449 -0.985 -11.020 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.130 -2.605 -10.432 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.593 -3.086 -10.579 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.855 -1.411 -11.025 1.00 0.57 H new ATOM 0 HE21 GLN B 32 8.007 -0.916 -9.091 1.00 1.31 H new ATOM 0 HE22 GLN B 32 7.203 -0.890 -7.519 1.00 1.31 H new ATOM 1368 N LEU B 33 4.110 -4.858 -12.357 1.00 0.37 N ATOM 1369 CA LEU B 33 4.313 -6.298 -12.412 1.00 0.42 C ATOM 1370 C LEU B 33 4.754 -6.698 -13.811 1.00 0.46 C ATOM 1371 O LEU B 33 5.798 -7.325 -13.997 1.00 0.53 O ATOM 1372 CB LEU B 33 3.004 -7.013 -12.041 1.00 0.53 C ATOM 1373 CG LEU B 33 3.140 -8.390 -11.384 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.651 -9.428 -12.371 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.057 -8.301 -10.178 1.00 0.83 C ATOM 0 H LEU B 33 3.151 -4.582 -12.147 1.00 0.37 H new ATOM 0 HA LEU B 33 5.089 -6.587 -11.703 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.442 -6.367 -11.366 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.408 -7.124 -12.947 1.00 0.53 H new ATOM 0 HG LEU B 33 2.151 -8.709 -11.055 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.736 -10.393 -11.872 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.955 -9.511 -13.205 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.629 -9.125 -12.744 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.148 -9.284 -9.717 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.041 -7.956 -10.494 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.641 -7.599 -9.456 1.00 0.83 H new ATOM 1387 N ARG B 34 3.964 -6.294 -14.795 1.00 0.47 N ATOM 1388 CA ARG B 34 4.233 -6.620 -16.186 1.00 0.59 C ATOM 1389 C ARG B 34 5.469 -5.875 -16.692 1.00 0.58 C ATOM 1390 O ARG B 34 6.136 -6.318 -17.626 1.00 0.69 O ATOM 1391 CB ARG B 34 3.018 -6.266 -17.048 1.00 0.70 C ATOM 1392 CG ARG B 34 3.128 -6.727 -18.493 1.00 1.41 C ATOM 1393 CD ARG B 34 3.171 -8.243 -18.593 1.00 1.46 C ATOM 1394 NE ARG B 34 3.272 -8.703 -19.976 1.00 2.18 N ATOM 1395 CZ ARG B 34 3.371 -9.984 -20.329 1.00 2.53 C ATOM 1396 NH1 ARG B 34 3.392 -10.936 -19.401 1.00 2.19 N ATOM 1397 NH2 ARG B 34 3.452 -10.312 -21.611 1.00 3.50 N ATOM 0 H ARG B 34 3.123 -5.734 -14.652 1.00 0.47 H new ATOM 0 HA ARG B 34 4.426 -7.690 -16.258 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.128 -6.710 -16.603 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.877 -5.185 -17.032 1.00 0.70 H new ATOM 0 HG2 ARG B 34 2.279 -6.348 -19.062 1.00 1.41 H new ATOM 0 HG3 ARG B 34 4.027 -6.306 -18.943 1.00 1.41 H new ATOM 0 HD2 ARG B 34 4.021 -8.619 -18.024 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.273 -8.661 -18.138 1.00 1.46 H new ATOM 0 HE ARG B 34 3.266 -8.001 -20.716 1.00 2.18 H new ATOM 0 HH11 ARG B 34 3.332 -10.687 -18.414 1.00 2.19 H new ATOM 0 HH12 ARG B 34 3.468 -11.915 -19.676 1.00 2.19 H new ATOM 0 HH21 ARG B 34 3.439 -9.584 -22.325 1.00 3.50 H new ATOM 0 HH22 ARG B 34 3.528 -11.292 -21.883 1.00 3.50 H new ATOM 1411 N HIS B 35 5.767 -4.739 -16.075 1.00 0.53 N ATOM 1412 CA HIS B 35 6.895 -3.918 -16.497 1.00 0.59 C ATOM 1413 C HIS B 35 8.199 -4.415 -15.877 1.00 0.58 C ATOM 1414 O HIS B 35 9.286 -4.040 -16.310 1.00 0.74 O ATOM 1415 CB HIS B 35 6.653 -2.454 -16.120 1.00 0.59 C ATOM 1416 CG HIS B 35 7.568 -1.488 -16.808 1.00 1.17 C ATOM 1417 ND1 HIS B 35 8.347 -0.578 -16.133 1.00 1.99 N ATOM 1418 CD2 HIS B 35 7.809 -1.285 -18.124 1.00 1.62 C ATOM 1419 CE1 HIS B 35 9.028 0.144 -17.002 1.00 2.69 C ATOM 1420 NE2 HIS B 35 8.722 -0.263 -18.219 1.00 2.43 N ATOM 0 H HIS B 35 5.245 -4.365 -15.282 1.00 0.53 H new ATOM 0 HA HIS B 35 6.985 -3.996 -17.581 1.00 0.59 H new ATOM 0 HB2 HIS B 35 5.622 -2.194 -16.358 1.00 0.59 H new ATOM 0 HB3 HIS B 35 6.769 -2.343 -15.042 1.00 0.59 H new ATOM 0 HD2 HIS B 35 7.366 -1.826 -18.947 1.00 1.62 H new ATOM 0 HE1 HIS B 35 9.720 0.936 -16.758 1.00 2.69 H new ATOM 0 HE2 HIS B 35 9.100 0.118 -19.086 1.00 2.43 H new ATOM 1429 N GLY B 36 8.075 -5.263 -14.861 1.00 0.49 N ATOM 1430 CA GLY B 36 9.243 -5.822 -14.209 1.00 0.51 C ATOM 1431 C GLY B 36 9.897 -4.843 -13.254 1.00 0.47 C ATOM 1432 O GLY B 36 11.120 -4.726 -13.219 1.00 0.53 O ATOM 0 H GLY B 36 7.182 -5.573 -14.477 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.956 -6.721 -13.663 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.967 -6.126 -14.965 1.00 0.51 H new ATOM 1436 N GLY B 37 9.076 -4.133 -12.488 1.00 0.41 N ATOM 1437 CA GLY B 37 9.591 -3.143 -11.557 1.00 0.40 C ATOM 1438 C GLY B 37 10.467 -3.746 -10.474 1.00 0.39 C ATOM 1439 O GLY B 37 11.539 -3.223 -10.171 1.00 0.53 O ATOM 0 H GLY B 37 8.060 -4.225 -12.495 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.165 -2.398 -12.108 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.755 -2.621 -11.092 1.00 0.40 H new ATOM 1443 N LEU B 38 10.016 -4.851 -9.895 1.00 0.36 N ATOM 1444 CA LEU B 38 10.756 -5.508 -8.822 1.00 0.41 C ATOM 1445 C LEU B 38 11.549 -6.696 -9.358 1.00 0.49 C ATOM 1446 O LEU B 38 11.569 -6.944 -10.565 1.00 0.83 O ATOM 1447 CB LEU B 38 9.808 -5.973 -7.704 1.00 0.44 C ATOM 1448 CG LEU B 38 9.358 -4.899 -6.701 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.552 -4.309 -5.965 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.567 -3.799 -7.388 1.00 0.47 C ATOM 0 H LEU B 38 9.142 -5.312 -10.149 1.00 0.36 H new ATOM 0 HA LEU B 38 11.453 -4.780 -8.407 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.919 -6.403 -8.166 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.299 -6.774 -7.151 1.00 0.44 H new ATOM 0 HG LEU B 38 8.706 -5.383 -5.974 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.207 -3.551 -5.261 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.072 -5.099 -5.423 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.233 -3.853 -6.683 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.263 -3.055 -6.652 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.188 -3.325 -8.148 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.681 -4.227 -7.858 1.00 0.47 H new ATOM 1462 N SER B 39 12.200 -7.422 -8.457 1.00 0.47 N ATOM 1463 CA SER B 39 12.979 -8.597 -8.827 1.00 0.54 C ATOM 1464 C SER B 39 12.058 -9.770 -9.187 1.00 0.48 C ATOM 1465 O SER B 39 10.838 -9.625 -9.186 1.00 0.45 O ATOM 1466 CB SER B 39 13.908 -8.972 -7.674 1.00 0.67 C ATOM 1467 OG SER B 39 14.701 -7.864 -7.281 1.00 1.42 O ATOM 0 H SER B 39 12.203 -7.215 -7.458 1.00 0.47 H new ATOM 0 HA SER B 39 13.578 -8.365 -9.708 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.319 -9.321 -6.826 1.00 0.67 H new ATOM 0 HB3 SER B 39 14.553 -9.797 -7.975 1.00 0.67 H new ATOM 0 HG SER B 39 15.287 -8.127 -6.541 1.00 1.42 H new ATOM 1473 N SER B 40 12.643 -10.924 -9.485 1.00 0.59 N ATOM 1474 CA SER B 40 11.880 -12.086 -9.932 1.00 0.61 C ATOM 1475 C SER B 40 10.898 -12.574 -8.864 1.00 0.53 C ATOM 1476 O SER B 40 9.683 -12.572 -9.078 1.00 0.49 O ATOM 1477 CB SER B 40 12.841 -13.206 -10.332 1.00 0.77 C ATOM 1478 OG SER B 40 13.851 -13.381 -9.350 1.00 1.63 O ATOM 0 H SER B 40 13.649 -11.082 -9.425 1.00 0.59 H new ATOM 0 HA SER B 40 11.287 -11.788 -10.796 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.288 -14.136 -10.461 1.00 0.77 H new ATOM 0 HB3 SER B 40 13.299 -12.972 -11.293 1.00 0.77 H new ATOM 0 HG SER B 40 14.453 -14.103 -9.625 1.00 1.63 H new ATOM 1484 N ASP B 41 11.423 -12.976 -7.712 1.00 0.57 N ATOM 1485 CA ASP B 41 10.589 -13.476 -6.619 1.00 0.58 C ATOM 1486 C ASP B 41 9.705 -12.365 -6.073 1.00 0.53 C ATOM 1487 O ASP B 41 8.541 -12.585 -5.724 1.00 0.55 O ATOM 1488 CB ASP B 41 11.465 -14.052 -5.502 1.00 0.71 C ATOM 1489 CG ASP B 41 10.658 -14.509 -4.303 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.077 -15.616 -4.355 1.00 2.21 O ATOM 1491 OD2 ASP B 41 10.602 -13.765 -3.301 1.00 1.69 O ATOM 0 H ASP B 41 12.422 -12.966 -7.508 1.00 0.57 H new ATOM 0 HA ASP B 41 9.950 -14.269 -7.007 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.037 -14.894 -5.892 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.185 -13.297 -5.184 1.00 0.71 H new ATOM 1496 N ALA B 42 10.267 -11.167 -6.019 1.00 0.51 N ATOM 1497 CA ALA B 42 9.549 -9.992 -5.552 1.00 0.50 C ATOM 1498 C ALA B 42 8.338 -9.706 -6.434 1.00 0.47 C ATOM 1499 O ALA B 42 7.273 -9.329 -5.945 1.00 0.52 O ATOM 1500 CB ALA B 42 10.484 -8.797 -5.531 1.00 0.54 C ATOM 0 H ALA B 42 11.231 -10.983 -6.297 1.00 0.51 H new ATOM 0 HA ALA B 42 9.188 -10.183 -4.541 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.943 -7.918 -5.181 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.319 -9.000 -4.861 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.862 -8.613 -6.537 1.00 0.54 H new ATOM 1506 N GLN B 43 8.516 -9.899 -7.734 1.00 0.44 N ATOM 1507 CA GLN B 43 7.448 -9.720 -8.707 1.00 0.45 C ATOM 1508 C GLN B 43 6.286 -10.656 -8.395 1.00 0.45 C ATOM 1509 O GLN B 43 5.146 -10.222 -8.237 1.00 0.48 O ATOM 1510 CB GLN B 43 7.986 -10.001 -10.111 1.00 0.49 C ATOM 1511 CG GLN B 43 7.012 -9.683 -11.227 1.00 0.82 C ATOM 1512 CD GLN B 43 7.543 -10.067 -12.592 1.00 0.85 C ATOM 1513 OE1 GLN B 43 6.780 -10.430 -13.487 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.853 -9.984 -12.766 1.00 1.12 N ATOM 0 H GLN B 43 9.406 -10.184 -8.143 1.00 0.44 H new ATOM 0 HA GLN B 43 7.087 -8.693 -8.657 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.896 -9.420 -10.262 1.00 0.49 H new ATOM 0 HB3 GLN B 43 8.265 -11.053 -10.177 1.00 0.49 H new ATOM 0 HG2 GLN B 43 6.074 -10.208 -11.046 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.788 -8.616 -11.216 1.00 0.82 H new ATOM 0 HE21 GLN B 43 9.451 -9.679 -11.998 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.264 -10.225 -13.668 1.00 1.12 H new ATOM 1523 N GLU B 44 6.591 -11.942 -8.277 1.00 0.49 N ATOM 1524 CA GLU B 44 5.574 -12.944 -7.981 1.00 0.54 C ATOM 1525 C GLU B 44 4.843 -12.607 -6.685 1.00 0.51 C ATOM 1526 O GLU B 44 3.644 -12.851 -6.550 1.00 0.50 O ATOM 1527 CB GLU B 44 6.210 -14.327 -7.860 1.00 0.68 C ATOM 1528 CG GLU B 44 6.984 -14.764 -9.090 1.00 1.20 C ATOM 1529 CD GLU B 44 7.519 -16.174 -8.951 1.00 1.65 C ATOM 1530 OE1 GLU B 44 8.574 -16.356 -8.312 1.00 2.20 O ATOM 1531 OE2 GLU B 44 6.876 -17.111 -9.467 1.00 2.36 O ATOM 0 H GLU B 44 7.534 -12.316 -8.382 1.00 0.49 H new ATOM 0 HA GLU B 44 4.856 -12.947 -8.801 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.881 -14.332 -7.001 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.427 -15.058 -7.658 1.00 0.68 H new ATOM 0 HG2 GLU B 44 6.337 -14.706 -9.965 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.813 -14.077 -9.260 1.00 1.20 H new ATOM 1538 N SER B 45 5.576 -12.023 -5.746 1.00 0.54 N ATOM 1539 CA SER B 45 5.028 -11.681 -4.446 1.00 0.59 C ATOM 1540 C SER B 45 4.034 -10.520 -4.553 1.00 0.55 C ATOM 1541 O SER B 45 3.117 -10.411 -3.738 1.00 0.58 O ATOM 1542 CB SER B 45 6.162 -11.338 -3.475 1.00 0.71 C ATOM 1543 OG SER B 45 5.708 -11.333 -2.132 1.00 1.04 O ATOM 0 H SER B 45 6.558 -11.776 -5.865 1.00 0.54 H new ATOM 0 HA SER B 45 4.485 -12.545 -4.062 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.969 -12.062 -3.585 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.574 -10.360 -3.725 1.00 0.71 H new ATOM 0 HG SER B 45 5.955 -10.486 -1.706 1.00 1.04 H new ATOM 1549 N LEU B 46 4.206 -9.658 -5.561 1.00 0.56 N ATOM 1550 CA LEU B 46 3.267 -8.559 -5.780 1.00 0.60 C ATOM 1551 C LEU B 46 1.894 -9.112 -6.101 1.00 0.50 C ATOM 1552 O LEU B 46 0.902 -8.711 -5.502 1.00 0.48 O ATOM 1553 CB LEU B 46 3.693 -7.643 -6.933 1.00 0.74 C ATOM 1554 CG LEU B 46 5.037 -6.935 -6.785 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.251 -5.954 -7.928 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.124 -6.214 -5.449 1.00 1.14 C ATOM 0 H LEU B 46 4.976 -9.700 -6.228 1.00 0.56 H new ATOM 0 HA LEU B 46 3.252 -7.973 -4.861 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.720 -8.236 -7.847 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.922 -6.885 -7.068 1.00 0.74 H new ATOM 0 HG LEU B 46 5.823 -7.689 -6.820 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.214 -5.458 -7.806 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.237 -6.491 -8.876 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.456 -5.209 -7.921 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.090 -5.717 -5.366 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.328 -5.473 -5.383 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.016 -6.935 -4.639 1.00 1.14 H new ATOM 1568 N GLU B 47 1.853 -10.046 -7.047 1.00 0.49 N ATOM 1569 CA GLU B 47 0.594 -10.632 -7.490 1.00 0.48 C ATOM 1570 C GLU B 47 -0.150 -11.268 -6.319 1.00 0.43 C ATOM 1571 O GLU B 47 -1.367 -11.112 -6.186 1.00 0.45 O ATOM 1572 CB GLU B 47 0.844 -11.670 -8.583 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.434 -12.241 -9.175 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.167 -13.244 -10.272 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -0.023 -14.443 -9.962 1.00 1.52 O ATOM 1576 OE2 GLU B 47 -0.096 -12.838 -11.449 1.00 1.75 O ATOM 0 H GLU B 47 2.678 -10.413 -7.521 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.026 -9.834 -7.899 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.433 -11.214 -9.379 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.441 -12.484 -8.171 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.015 -12.718 -8.385 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.042 -11.428 -9.571 1.00 0.81 H new ATOM 1583 N VAL B 48 0.588 -11.968 -5.466 1.00 0.41 N ATOM 1584 CA VAL B 48 0.009 -12.574 -4.274 1.00 0.42 C ATOM 1585 C VAL B 48 -0.537 -11.495 -3.347 1.00 0.41 C ATOM 1586 O VAL B 48 -1.680 -11.569 -2.893 1.00 0.43 O ATOM 1587 CB VAL B 48 1.041 -13.424 -3.501 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.390 -14.108 -2.311 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.688 -14.452 -4.412 1.00 0.48 C ATOM 0 H VAL B 48 1.589 -12.130 -5.578 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.797 -13.228 -4.606 1.00 0.42 H new ATOM 0 HB VAL B 48 1.819 -12.755 -3.133 1.00 0.45 H new ATOM 0 HG11 VAL B 48 1.134 -14.702 -1.780 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.020 -13.355 -1.638 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.412 -14.759 -2.659 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.411 -15.038 -3.844 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.922 -15.114 -4.816 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.197 -13.943 -5.231 1.00 0.48 H new ATOM 1599 N ALA B 49 0.284 -10.482 -3.092 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.091 -9.383 -2.211 1.00 0.43 C ATOM 1601 C ALA B 49 -1.308 -8.637 -2.741 1.00 0.43 C ATOM 1602 O ALA B 49 -2.157 -8.198 -1.966 1.00 0.48 O ATOM 1603 CB ALA B 49 1.075 -8.429 -2.035 1.00 0.44 C ATOM 0 H ALA B 49 1.221 -10.400 -3.487 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.354 -9.806 -1.241 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.781 -7.613 -1.375 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.919 -8.963 -1.599 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.364 -8.025 -3.005 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.384 -8.497 -4.061 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.527 -7.865 -4.709 1.00 0.41 C ATOM 1611 C ILE B 50 -3.822 -8.561 -4.308 1.00 0.38 C ATOM 1612 O ILE B 50 -4.757 -7.921 -3.831 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.384 -7.882 -6.251 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.284 -6.912 -6.697 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.707 -7.541 -6.925 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -1.016 -6.930 -8.189 1.00 0.62 C ATOM 0 H ILE B 50 -0.661 -8.816 -4.706 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.558 -6.827 -4.377 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.102 -8.890 -6.556 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.563 -5.901 -6.400 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.362 -7.156 -6.169 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.579 -7.560 -8.007 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.462 -8.272 -6.636 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.028 -6.547 -6.615 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.226 -6.218 -8.425 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.705 -7.930 -8.491 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.924 -6.655 -8.725 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.853 -9.879 -4.470 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.041 -10.662 -4.151 1.00 0.43 C ATOM 1630 C GLN B 51 -5.334 -10.600 -2.653 1.00 0.43 C ATOM 1631 O GLN B 51 -6.495 -10.556 -2.233 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.858 -12.117 -4.593 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.405 -12.262 -6.038 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.323 -11.557 -7.019 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.530 -11.452 -6.801 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -4.754 -11.067 -8.109 1.00 1.35 N ATOM 0 H GLN B 51 -3.068 -10.428 -4.821 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.888 -10.237 -4.691 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.127 -12.597 -3.942 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.800 -12.649 -4.461 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.397 -11.861 -6.139 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.354 -13.321 -6.293 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -3.750 -11.175 -8.253 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.320 -10.581 -8.805 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.274 -10.576 -1.855 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.409 -10.505 -0.408 1.00 0.52 C ATOM 1647 C CYS B 52 -5.025 -9.175 0.019 1.00 0.53 C ATOM 1648 O CYS B 52 -6.011 -9.154 0.752 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.052 -10.700 0.267 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.261 -12.278 -0.116 1.00 0.69 S ATOM 0 H CYS B 52 -3.310 -10.605 -2.187 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.076 -11.307 -0.093 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.388 -9.890 -0.034 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.180 -10.622 1.347 1.00 0.59 H new ATOM 0 HG CYS B 52 -1.889 -12.286 -1.362 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.459 -8.068 -0.452 1.00 0.49 N ATOM 1657 CA LEU B 53 -4.962 -6.744 -0.091 1.00 0.53 C ATOM 1658 C LEU B 53 -6.341 -6.499 -0.681 1.00 0.50 C ATOM 1659 O LEU B 53 -7.181 -5.854 -0.053 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.004 -5.641 -0.544 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.723 -5.508 0.277 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.916 -4.310 -0.192 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.046 -5.389 1.761 1.00 0.61 C ATOM 0 H LEU B 53 -3.656 -8.059 -1.081 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.036 -6.717 0.996 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -3.732 -5.824 -1.584 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.534 -4.689 -0.516 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.124 -6.407 0.130 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.006 -4.229 0.403 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.653 -4.437 -1.242 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.509 -3.403 -0.074 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.120 -5.295 2.329 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.665 -4.508 1.929 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.584 -6.279 2.089 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.567 -7.017 -1.881 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.863 -6.902 -2.533 1.00 0.50 C ATOM 1677 C GLU B 54 -8.945 -7.497 -1.635 1.00 0.56 C ATOM 1678 O GLU B 54 -9.949 -6.853 -1.332 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.841 -7.621 -3.887 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.018 -7.276 -4.782 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.022 -8.053 -6.082 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -8.251 -7.700 -6.997 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.808 -9.019 -6.202 1.00 1.66 O ATOM 0 H GLU B 54 -5.867 -7.522 -2.423 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.083 -5.848 -2.705 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -6.916 -7.371 -4.406 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.829 -8.697 -3.716 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -9.946 -7.473 -4.245 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -8.998 -6.209 -5.003 1.00 0.73 H new ATOM 1690 N THR B 55 -8.695 -8.713 -1.173 1.00 0.61 N ATOM 1691 CA THR B 55 -9.626 -9.423 -0.309 1.00 0.77 C ATOM 1692 C THR B 55 -9.653 -8.814 1.100 1.00 0.83 C ATOM 1693 O THR B 55 -10.667 -8.874 1.799 1.00 0.98 O ATOM 1694 CB THR B 55 -9.236 -10.912 -0.223 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.046 -11.441 -1.546 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.302 -11.720 0.496 1.00 1.15 C ATOM 0 H THR B 55 -7.844 -9.234 -1.386 1.00 0.61 H new ATOM 0 HA THR B 55 -10.622 -9.331 -0.741 1.00 0.77 H new ATOM 0 HB THR B 55 -8.308 -10.986 0.344 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.163 -11.178 -1.880 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.998 -12.766 0.540 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.429 -11.336 1.508 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.246 -11.639 -0.044 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.536 -8.219 1.500 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.397 -7.657 2.838 1.00 0.87 C ATOM 1706 C ALA B 56 -9.165 -6.351 2.990 1.00 0.88 C ATOM 1707 O ALA B 56 -10.008 -6.219 3.870 1.00 1.14 O ATOM 1708 CB ALA B 56 -6.932 -7.435 3.167 1.00 0.89 C ATOM 0 H ALA B 56 -7.709 -8.113 0.913 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.822 -8.377 3.538 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -6.844 -7.015 4.169 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.401 -8.386 3.124 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.497 -6.744 2.444 1.00 0.89 H new ATOM 1714 N PHE B 57 -8.877 -5.385 2.130 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.532 -4.091 2.203 1.00 1.05 C ATOM 1716 C PHE B 57 -10.972 -4.177 1.712 1.00 1.57 C ATOM 1717 O PHE B 57 -11.763 -3.251 1.907 1.00 2.06 O ATOM 1718 CB PHE B 57 -8.768 -3.061 1.377 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.529 -2.515 2.035 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.623 -1.509 2.981 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -6.274 -2.978 1.680 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -6.485 -0.971 3.558 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.134 -2.449 2.257 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.241 -1.443 3.194 1.00 0.92 C ATOM 0 H PHE B 57 -8.196 -5.474 1.376 1.00 0.76 H new ATOM 0 HA PHE B 57 -9.540 -3.780 3.248 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -8.487 -3.515 0.426 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.437 -2.231 1.149 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -8.595 -1.139 3.272 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -6.184 -3.762 0.943 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -6.571 -0.183 4.292 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -4.161 -2.823 1.974 1.00 1.50 H new ATOM 0 HZ PHE B 57 -4.352 -1.025 3.642 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.300 -5.292 1.073 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.637 -5.491 0.562 1.00 2.29 C ATOM 1736 C GLY B 58 -12.858 -4.757 -0.739 1.00 2.05 C ATOM 1737 O GLY B 58 -13.951 -4.250 -0.998 1.00 2.60 O ATOM 0 H GLY B 58 -10.658 -6.065 0.900 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -12.814 -6.556 0.412 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.362 -5.148 1.300 1.00 2.29 H new ATOM 1741 N VAL B 59 -11.816 -4.691 -1.553 1.00 1.35 N ATOM 1742 CA VAL B 59 -11.885 -4.005 -2.831 1.00 1.13 C ATOM 1743 C VAL B 59 -11.890 -5.008 -3.969 1.00 1.04 C ATOM 1744 O VAL B 59 -11.563 -6.175 -3.778 1.00 1.22 O ATOM 1745 CB VAL B 59 -10.717 -3.010 -3.026 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -10.825 -1.877 -2.029 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.368 -3.696 -2.894 1.00 1.00 C ATOM 0 H VAL B 59 -10.908 -5.107 -1.348 1.00 1.35 H new ATOM 0 HA VAL B 59 -12.814 -3.435 -2.835 1.00 1.13 H new ATOM 0 HB VAL B 59 -10.788 -2.609 -4.037 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -9.997 -1.183 -2.176 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -11.769 -1.352 -2.175 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -10.786 -2.279 -1.016 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.572 -2.965 -3.037 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.280 -4.138 -1.902 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.282 -4.478 -3.648 1.00 1.00 H new ATOM 1757 N THR B 60 -12.306 -4.552 -5.133 1.00 1.17 N ATOM 1758 CA THR B 60 -12.331 -5.380 -6.322 1.00 1.30 C ATOM 1759 C THR B 60 -11.921 -4.568 -7.544 1.00 1.16 C ATOM 1760 O THR B 60 -11.511 -3.413 -7.418 1.00 1.14 O ATOM 1761 CB THR B 60 -13.738 -5.962 -6.554 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.716 -4.916 -6.432 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.050 -7.076 -5.567 1.00 2.38 C ATOM 0 H THR B 60 -12.636 -3.598 -5.282 1.00 1.17 H new ATOM 0 HA THR B 60 -11.625 -6.197 -6.173 1.00 1.30 H new ATOM 0 HB THR B 60 -13.770 -6.385 -7.558 1.00 1.94 H new ATOM 0 HG1 THR B 60 -14.311 -4.139 -5.993 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.050 -7.463 -5.760 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.322 -7.879 -5.682 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.002 -6.686 -4.550 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.051 -5.157 -8.725 1.00 1.40 N ATOM 1772 CA VAL B 61 -11.796 -4.434 -9.963 1.00 1.59 C ATOM 1773 C VAL B 61 -12.865 -3.353 -10.179 1.00 1.83 C ATOM 1774 O VAL B 61 -12.669 -2.404 -10.935 1.00 2.11 O ATOM 1775 CB VAL B 61 -11.740 -5.398 -11.173 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -13.088 -6.065 -11.405 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.267 -4.677 -12.427 1.00 1.95 C ATOM 0 H VAL B 61 -12.330 -6.130 -8.852 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.823 -3.950 -9.879 1.00 1.59 H new ATOM 0 HB VAL B 61 -11.015 -6.179 -10.942 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -13.019 -6.736 -12.261 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.370 -6.634 -10.519 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -13.842 -5.303 -11.602 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.237 -5.379 -13.261 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -11.955 -3.864 -12.661 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.270 -4.271 -12.259 1.00 1.95 H new ATOM 1787 N GLU B 62 -13.990 -3.489 -9.485 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.025 -2.461 -9.501 1.00 2.15 C ATOM 1789 C GLU B 62 -14.524 -1.213 -8.779 1.00 1.63 C ATOM 1790 O GLU B 62 -14.750 -0.081 -9.214 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.298 -2.987 -8.842 1.00 2.86 C ATOM 1792 CG GLU B 62 -16.936 -4.136 -9.606 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.126 -4.732 -8.884 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.227 -4.149 -8.958 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -17.965 -5.787 -8.235 1.00 3.97 O ATOM 0 H GLU B 62 -14.208 -4.299 -8.905 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.255 -2.200 -10.534 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.066 -3.317 -7.829 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.018 -2.173 -8.755 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -17.252 -3.782 -10.587 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -16.191 -4.914 -9.772 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.807 -1.434 -7.687 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.183 -0.347 -6.950 1.00 1.61 C ATOM 1804 C ASP B 63 -12.017 0.211 -7.751 1.00 1.59 C ATOM 1805 O ASP B 63 -11.570 1.331 -7.531 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.706 -0.839 -5.585 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.828 -1.440 -4.768 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -14.123 -2.639 -4.956 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -14.424 -0.720 -3.941 1.00 3.35 O ATOM 0 H ASP B 63 -13.643 -2.360 -7.291 1.00 1.36 H new ATOM 0 HA ASP B 63 -13.915 0.445 -6.792 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -11.921 -1.583 -5.723 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.264 -0.008 -5.036 1.00 1.89 H new ATOM 1814 N SER B 64 -11.533 -0.594 -8.686 1.00 1.56 N ATOM 1815 CA SER B 64 -10.507 -0.172 -9.626 1.00 1.82 C ATOM 1816 C SER B 64 -11.118 0.727 -10.701 1.00 1.73 C ATOM 1817 O SER B 64 -10.430 1.538 -11.320 1.00 1.91 O ATOM 1818 CB SER B 64 -9.852 -1.406 -10.261 1.00 2.42 C ATOM 1819 OG SER B 64 -8.903 -1.054 -11.249 1.00 2.92 O ATOM 0 H SER B 64 -11.841 -1.558 -8.814 1.00 1.56 H new ATOM 0 HA SER B 64 -9.743 0.398 -9.096 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.365 -1.997 -9.485 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.622 -2.036 -10.706 1.00 2.42 H new ATOM 0 HG SER B 64 -7.999 -1.155 -10.885 1.00 2.92 H new ATOM 1825 N ASP B 65 -12.423 0.585 -10.905 1.00 1.68 N ATOM 1826 CA ASP B 65 -13.138 1.373 -11.902 1.00 2.03 C ATOM 1827 C ASP B 65 -13.291 2.818 -11.441 1.00 1.91 C ATOM 1828 O ASP B 65 -13.230 3.749 -12.247 1.00 2.28 O ATOM 1829 CB ASP B 65 -14.511 0.758 -12.182 1.00 2.26 C ATOM 1830 CG ASP B 65 -15.346 1.594 -13.128 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -15.039 1.611 -14.340 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -16.314 2.236 -12.666 1.00 3.35 O ATOM 0 H ASP B 65 -13.010 -0.072 -10.390 1.00 1.68 H new ATOM 0 HA ASP B 65 -12.556 1.367 -12.824 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -14.379 -0.238 -12.605 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.048 0.636 -11.241 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.463 3.005 -10.137 1.00 1.52 N ATOM 1838 CA LEU B 66 -13.589 4.348 -9.564 1.00 1.62 C ATOM 1839 C LEU B 66 -12.216 4.999 -9.353 1.00 1.45 C ATOM 1840 O LEU B 66 -12.056 5.880 -8.504 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.399 4.302 -8.253 1.00 1.77 C ATOM 1842 CG LEU B 66 -13.890 3.344 -7.165 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -12.857 4.014 -6.268 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.050 2.827 -6.332 1.00 1.57 C ATOM 0 H LEU B 66 -13.519 2.248 -9.455 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.132 4.970 -10.276 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.428 5.308 -7.835 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.426 4.028 -8.496 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.406 2.504 -7.663 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.520 3.307 -5.510 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.006 4.335 -6.869 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.305 4.880 -5.781 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -14.674 2.150 -5.565 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.559 3.666 -5.857 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -15.751 2.294 -6.975 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.244 4.571 -10.158 1.00 1.30 N ATOM 1857 CA ALA B 67 -9.858 5.019 -10.046 1.00 1.26 C ATOM 1858 C ALA B 67 -9.722 6.538 -10.028 1.00 1.28 C ATOM 1859 O ALA B 67 -10.324 7.247 -10.841 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.034 4.439 -11.181 1.00 1.48 C ATOM 0 H ALA B 67 -11.398 3.900 -10.910 1.00 1.30 H new ATOM 0 HA ALA B 67 -9.485 4.657 -9.088 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.002 4.777 -11.091 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.065 3.350 -11.133 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -9.443 4.772 -12.135 1.00 1.48 H new ATOM 1866 N LEU B 68 -8.927 7.024 -9.081 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.639 8.446 -8.964 1.00 1.29 C ATOM 1868 C LEU B 68 -7.816 8.919 -10.158 1.00 1.56 C ATOM 1869 O LEU B 68 -6.995 8.167 -10.681 1.00 1.55 O ATOM 1870 CB LEU B 68 -7.873 8.743 -7.667 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.584 8.358 -6.364 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.715 8.701 -5.161 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -9.934 9.053 -6.264 1.00 1.18 C ATOM 0 H LEU B 68 -8.467 6.446 -8.377 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.589 8.981 -8.943 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -6.918 8.220 -7.705 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.651 9.810 -7.635 1.00 1.25 H new ATOM 0 HG LEU B 68 -8.754 7.281 -6.371 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.235 8.421 -4.245 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -6.773 8.156 -5.225 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.514 9.772 -5.151 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.423 8.767 -5.333 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.789 10.133 -6.281 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.559 8.758 -7.107 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.036 10.162 -10.613 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.282 10.753 -11.728 1.00 2.36 C ATOM 1887 C PRO B 69 -5.772 10.709 -11.506 1.00 2.25 C ATOM 1888 O PRO B 69 -5.008 10.283 -12.375 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.748 12.213 -11.753 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.505 12.426 -10.483 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.050 11.086 -10.094 1.00 2.06 C ATOM 0 HA PRO B 69 -7.462 10.208 -12.655 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.898 12.893 -11.819 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.379 12.406 -12.620 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -7.855 12.823 -9.704 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.310 13.148 -10.625 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.166 10.994 -9.014 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.029 10.903 -10.537 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.359 11.154 -10.331 1.00 1.85 N ATOM 1900 CA GLN B 70 -3.950 11.222 -9.977 1.00 1.82 C ATOM 1901 C GLN B 70 -3.425 9.832 -9.651 1.00 1.41 C ATOM 1902 O GLN B 70 -4.139 9.020 -9.057 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.774 12.152 -8.771 1.00 1.93 C ATOM 1904 CG GLN B 70 -4.484 11.659 -7.517 1.00 1.65 C ATOM 1905 CD GLN B 70 -4.642 12.732 -6.457 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -3.834 13.655 -6.351 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -5.691 12.612 -5.662 1.00 2.76 N ATOM 0 H GLN B 70 -5.989 11.478 -9.597 1.00 1.85 H new ATOM 0 HA GLN B 70 -3.383 11.616 -10.821 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.711 12.261 -8.558 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.151 13.142 -9.027 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -5.469 11.280 -7.790 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.926 10.822 -7.097 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -6.337 11.832 -5.784 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -5.855 13.300 -4.927 1.00 2.76 H new ATOM 1916 N THR B 71 -2.197 9.537 -10.054 1.00 1.34 N ATOM 1917 CA THR B 71 -1.609 8.269 -9.691 1.00 1.13 C ATOM 1918 C THR B 71 -1.161 8.341 -8.236 1.00 0.85 C ATOM 1919 O THR B 71 -0.588 9.334 -7.793 1.00 0.83 O ATOM 1920 CB THR B 71 -0.416 7.956 -10.617 1.00 1.22 C ATOM 1921 OG1 THR B 71 0.294 9.167 -10.912 1.00 1.53 O ATOM 1922 CG2 THR B 71 -0.888 7.319 -11.915 1.00 1.55 C ATOM 0 H THR B 71 -1.605 10.146 -10.619 1.00 1.34 H new ATOM 0 HA THR B 71 -2.340 7.469 -9.805 1.00 1.13 H new ATOM 0 HB THR B 71 0.242 7.254 -10.105 1.00 1.22 H new ATOM 0 HG1 THR B 71 1.053 8.967 -11.499 1.00 1.53 H new ATOM 0 HG21 THR B 71 -0.028 7.108 -12.551 1.00 1.55 H new ATOM 0 HG22 THR B 71 -1.413 6.390 -11.694 1.00 1.55 H new ATOM 0 HG23 THR B 71 -1.562 8.002 -12.432 1.00 1.55 H new ATOM 1930 N LEU B 72 -1.371 7.251 -7.518 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.266 7.270 -6.068 1.00 0.66 C ATOM 1932 C LEU B 72 0.159 7.098 -5.558 1.00 0.66 C ATOM 1933 O LEU B 72 0.594 7.881 -4.717 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.230 6.264 -5.443 1.00 0.78 C ATOM 1935 CG LEU B 72 -3.711 6.686 -5.466 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -3.891 8.045 -4.813 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.272 6.711 -6.886 1.00 1.79 C ATOM 0 H LEU B 72 -1.615 6.343 -7.914 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.561 8.269 -5.746 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.130 5.313 -5.966 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -1.932 6.091 -4.409 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.268 5.940 -4.899 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -4.944 8.325 -4.840 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.554 7.999 -3.777 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.304 8.789 -5.353 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.319 7.013 -6.858 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -3.705 7.421 -7.489 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.193 5.717 -7.326 1.00 1.79 H new ATOM 1949 N PRO B 73 0.917 6.076 -6.010 1.00 0.75 N ATOM 1950 CA PRO B 73 2.335 5.967 -5.654 1.00 0.84 C ATOM 1951 C PRO B 73 3.122 7.215 -6.060 1.00 0.80 C ATOM 1952 O PRO B 73 4.100 7.574 -5.411 1.00 0.82 O ATOM 1953 CB PRO B 73 2.803 4.733 -6.427 1.00 1.03 C ATOM 1954 CG PRO B 73 1.567 3.923 -6.594 1.00 1.06 C ATOM 1955 CD PRO B 73 0.471 4.923 -6.822 1.00 0.84 C ATOM 0 HA PRO B 73 2.491 5.879 -4.579 1.00 0.84 H new ATOM 0 HB2 PRO B 73 3.235 5.005 -7.390 1.00 1.03 H new ATOM 0 HB3 PRO B 73 3.568 4.185 -5.878 1.00 1.03 H new ATOM 0 HG2 PRO B 73 1.656 3.237 -7.436 1.00 1.06 H new ATOM 0 HG3 PRO B 73 1.370 3.317 -5.709 1.00 1.06 H new ATOM 0 HD2 PRO B 73 0.371 5.183 -7.876 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -0.498 4.546 -6.494 1.00 0.84 H new ATOM 1963 N GLU B 74 2.666 7.890 -7.115 1.00 0.78 N ATOM 1964 CA GLU B 74 3.280 9.144 -7.548 1.00 0.78 C ATOM 1965 C GLU B 74 2.970 10.257 -6.551 1.00 0.64 C ATOM 1966 O GLU B 74 3.851 11.031 -6.173 1.00 0.64 O ATOM 1967 CB GLU B 74 2.782 9.539 -8.937 1.00 0.86 C ATOM 1968 CG GLU B 74 3.424 10.809 -9.469 1.00 1.21 C ATOM 1969 CD GLU B 74 2.824 11.259 -10.782 1.00 1.47 C ATOM 1970 OE1 GLU B 74 3.175 10.681 -11.831 1.00 2.27 O ATOM 1971 OE2 GLU B 74 2.004 12.201 -10.774 1.00 1.67 O ATOM 0 H GLU B 74 1.875 7.590 -7.684 1.00 0.78 H new ATOM 0 HA GLU B 74 4.359 8.996 -7.594 1.00 0.78 H new ATOM 0 HB2 GLU B 74 2.979 8.722 -9.632 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.701 9.674 -8.903 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.313 11.604 -8.732 1.00 1.21 H new ATOM 0 HG3 GLU B 74 4.493 10.643 -9.600 1.00 1.21 H new ATOM 1978 N ILE B 75 1.710 10.337 -6.134 1.00 0.58 N ATOM 1979 CA ILE B 75 1.306 11.264 -5.081 1.00 0.53 C ATOM 1980 C ILE B 75 2.095 10.981 -3.812 1.00 0.49 C ATOM 1981 O ILE B 75 2.516 11.893 -3.097 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.210 11.152 -4.784 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.026 11.667 -5.968 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.586 11.895 -3.509 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -0.659 13.069 -6.389 1.00 1.37 C ATOM 0 H ILE B 75 0.950 9.770 -6.510 1.00 0.58 H new ATOM 0 HA ILE B 75 1.514 12.277 -5.427 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.442 10.098 -4.632 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -0.887 10.994 -6.814 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.084 11.639 -5.709 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.657 11.795 -3.332 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.038 11.473 -2.667 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.333 12.950 -3.614 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -1.278 13.369 -7.234 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -0.824 13.754 -5.557 1.00 1.37 H new ATOM 0 HD13 ILE B 75 0.391 13.098 -6.680 1.00 1.37 H new ATOM 1997 N PHE B 76 2.313 9.702 -3.563 1.00 0.50 N ATOM 1998 CA PHE B 76 3.067 9.258 -2.408 1.00 0.56 C ATOM 1999 C PHE B 76 4.514 9.747 -2.500 1.00 0.59 C ATOM 2000 O PHE B 76 5.155 10.014 -1.485 1.00 0.72 O ATOM 2001 CB PHE B 76 3.017 7.733 -2.321 1.00 0.65 C ATOM 2002 CG PHE B 76 2.983 7.208 -0.918 1.00 2.06 C ATOM 2003 CD1 PHE B 76 1.780 7.113 -0.242 1.00 2.34 C ATOM 2004 CD2 PHE B 76 4.142 6.802 -0.281 1.00 2.12 C ATOM 2005 CE1 PHE B 76 1.728 6.623 1.047 1.00 2.35 C ATOM 2006 CE2 PHE B 76 4.102 6.314 1.009 1.00 2.24 C ATOM 2007 CZ PHE B 76 2.894 6.222 1.674 1.00 2.37 C ATOM 0 H PHE B 76 1.972 8.945 -4.155 1.00 0.50 H new ATOM 0 HA PHE B 76 2.624 9.678 -1.505 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.135 7.377 -2.854 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.887 7.321 -2.832 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.869 7.427 -0.730 1.00 2.34 H new ATOM 0 HD2 PHE B 76 5.088 6.868 -0.799 1.00 2.12 H new ATOM 0 HE1 PHE B 76 0.782 6.553 1.563 1.00 2.35 H new ATOM 0 HE2 PHE B 76 5.014 6.004 1.498 1.00 2.24 H new ATOM 0 HZ PHE B 76 2.860 5.837 2.683 1.00 2.37 H new ATOM 2017 N GLU B 77 5.020 9.870 -3.726 1.00 0.62 N ATOM 2018 CA GLU B 77 6.361 10.399 -3.954 1.00 0.73 C ATOM 2019 C GLU B 77 6.424 11.875 -3.581 1.00 0.69 C ATOM 2020 O GLU B 77 7.372 12.327 -2.942 1.00 0.79 O ATOM 2021 CB GLU B 77 6.779 10.228 -5.418 1.00 0.89 C ATOM 2022 CG GLU B 77 6.907 8.783 -5.864 1.00 1.56 C ATOM 2023 CD GLU B 77 7.440 8.655 -7.275 1.00 1.93 C ATOM 2024 OE1 GLU B 77 8.653 8.879 -7.476 1.00 2.51 O ATOM 2025 OE2 GLU B 77 6.655 8.326 -8.191 1.00 2.40 O ATOM 0 H GLU B 77 4.520 9.610 -4.576 1.00 0.62 H new ATOM 0 HA GLU B 77 7.049 9.836 -3.323 1.00 0.73 H new ATOM 0 HB2 GLU B 77 6.049 10.729 -6.053 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.734 10.730 -5.572 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.569 8.253 -5.180 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.932 8.300 -5.803 1.00 1.56 H new ATOM 2032 N ALA B 78 5.398 12.616 -3.972 1.00 0.60 N ATOM 2033 CA ALA B 78 5.365 14.054 -3.749 1.00 0.61 C ATOM 2034 C ALA B 78 5.098 14.391 -2.285 1.00 0.60 C ATOM 2035 O ALA B 78 5.840 15.156 -1.670 1.00 0.64 O ATOM 2036 CB ALA B 78 4.315 14.699 -4.641 1.00 0.64 C ATOM 0 H ALA B 78 4.575 12.244 -4.446 1.00 0.60 H new ATOM 0 HA ALA B 78 6.346 14.454 -4.005 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.299 15.775 -4.465 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.557 14.505 -5.686 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.335 14.280 -4.412 1.00 0.64 H new ATOM 2042 N ALA B 79 4.046 13.812 -1.722 1.00 0.64 N ATOM 2043 CA ALA B 79 3.650 14.131 -0.356 1.00 0.75 C ATOM 2044 C ALA B 79 4.477 13.367 0.668 1.00 0.86 C ATOM 2045 O ALA B 79 5.231 13.954 1.440 1.00 0.99 O ATOM 2046 CB ALA B 79 2.179 13.812 -0.152 1.00 0.83 C ATOM 0 H ALA B 79 3.454 13.123 -2.186 1.00 0.64 H new ATOM 0 HA ALA B 79 3.826 15.196 -0.207 1.00 0.75 H new ATOM 0 HB1 ALA B 79 1.893 14.054 0.872 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.579 14.402 -0.845 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.008 12.751 -0.336 1.00 0.83 H new ATOM 2052 N ALA B 80 4.368 12.048 0.630 1.00 0.90 N ATOM 2053 CA ALA B 80 4.954 11.200 1.659 1.00 1.11 C ATOM 2054 C ALA B 80 6.469 11.129 1.538 1.00 1.26 C ATOM 2055 O ALA B 80 7.178 11.045 2.538 1.00 1.55 O ATOM 2056 CB ALA B 80 4.347 9.812 1.582 1.00 1.25 C ATOM 0 H ALA B 80 3.877 11.539 -0.105 1.00 0.90 H new ATOM 0 HA ALA B 80 4.730 11.641 2.630 1.00 1.11 H new ATOM 0 HB1 ALA B 80 4.787 9.179 2.353 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.270 9.877 1.737 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.547 9.381 0.601 1.00 1.25 H new ATOM 2062 N THR B 81 6.962 11.160 0.314 1.00 1.23 N ATOM 2063 CA THR B 81 8.385 11.071 0.065 1.00 1.46 C ATOM 2064 C THR B 81 8.994 12.467 -0.088 1.00 1.63 C ATOM 2065 O THR B 81 10.215 12.631 -0.129 1.00 1.88 O ATOM 2066 CB THR B 81 8.636 10.235 -1.202 1.00 1.59 C ATOM 2067 OG1 THR B 81 7.754 9.102 -1.209 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.069 9.754 -1.264 1.00 1.64 C ATOM 0 H THR B 81 6.392 11.247 -0.527 1.00 1.23 H new ATOM 0 HA THR B 81 8.863 10.584 0.915 1.00 1.46 H new ATOM 0 HB THR B 81 8.446 10.865 -2.071 1.00 1.59 H new ATOM 0 HG1 THR B 81 6.827 9.410 -1.288 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.217 9.166 -2.170 1.00 1.64 H new ATOM 0 HG22 THR B 81 10.741 10.612 -1.275 1.00 1.64 H new ATOM 0 HG23 THR B 81 10.284 9.136 -0.392 1.00 1.64 H new ATOM 2076 N GLY B 82 8.130 13.473 -0.154 1.00 1.68 N ATOM 2077 CA GLY B 82 8.589 14.837 -0.323 1.00 2.13 C ATOM 2078 C GLY B 82 8.767 15.550 0.999 1.00 1.99 C ATOM 2079 O GLY B 82 9.675 16.363 1.156 1.00 2.59 O ATOM 0 H GLY B 82 7.117 13.367 -0.093 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.536 14.835 -0.863 1.00 2.13 H new ATOM 0 HA3 GLY B 82 7.874 15.386 -0.936 1.00 2.13 H new ATOM 2083 N LYS B 83 7.890 15.260 1.946 1.00 1.88 N ATOM 2084 CA LYS B 83 7.981 15.846 3.272 1.00 2.11 C ATOM 2085 C LYS B 83 8.938 15.034 4.132 1.00 2.84 C ATOM 2086 O LYS B 83 8.600 13.886 4.470 1.00 3.19 O ATOM 2087 CB LYS B 83 6.595 15.916 3.920 1.00 2.30 C ATOM 2088 CG LYS B 83 6.595 16.455 5.344 1.00 2.77 C ATOM 2089 CD LYS B 83 7.133 17.876 5.412 1.00 3.43 C ATOM 2090 CE LYS B 83 7.047 18.439 6.823 1.00 3.92 C ATOM 2091 NZ LYS B 83 7.835 17.637 7.797 1.00 4.40 N ATOM 2092 OXT LYS B 83 10.030 15.546 4.454 1.00 3.61 O ATOM 0 H LYS B 83 7.105 14.621 1.820 1.00 1.88 H new ATOM 0 HA LYS B 83 8.367 16.862 3.186 1.00 2.11 H new ATOM 0 HB2 LYS B 83 5.951 16.546 3.306 1.00 2.30 H new ATOM 0 HB3 LYS B 83 6.157 14.918 3.922 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.580 16.432 5.741 1.00 2.77 H new ATOM 0 HG3 LYS B 83 7.200 15.807 5.978 1.00 2.77 H new ATOM 0 HD2 LYS B 83 8.170 17.890 5.076 1.00 3.43 H new ATOM 0 HD3 LYS B 83 6.569 18.513 4.730 1.00 3.43 H new ATOM 0 HE2 LYS B 83 7.409 19.467 6.825 1.00 3.92 H new ATOM 0 HE3 LYS B 83 6.004 18.467 7.138 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 7.888 18.145 8.703 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 7.373 16.717 7.943 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 8.796 17.488 7.427 1.00 4.40 H new TER 2106 LYS B 83