USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1037 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 83 LYS NZ :NH3+ 171:sc= -0.0109 (180deg=-0.138) USER MOD Set 1.2: B 70 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.8) USER MOD Set 2.1: B 19 LYS NZ :NH3+ -140:sc= 0.154 (180deg=0) USER MOD Set 2.2: B 60 THR OG1 : rot 180:sc= 0.118 USER MOD Set 3.1: A 70 GLN : amide:sc= -1.39 K(o=-1.4,f=-1.9!) USER MOD Set 3.2: B 83 LYS NZ :NH3+ 171:sc=-0.00879 (180deg=-0.154) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -142:sc= 0.155 (180deg=0) USER MOD Set 4.2: A 60 THR OG1 : rot 171:sc= 0.146 USER MOD Single : A 17 ASN : amide:sc= -1.62! C(o=-1.6!,f=-4.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.85) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 32 GLN : amide:sc= -4.54! C(o=-4.5!,f=-7.9!) USER MOD Single : A 35 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -4.07! C(o=-4.1!,f=-5.3!) USER MOD Single : A 45 SER OG : rot 82:sc= 1.24 USER MOD Single : A 51 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.38) USER MOD Single : A 52 CYS SG : rot 68:sc= 0.294 USER MOD Single : A 55 THR OG1 : rot 56:sc= 0.241 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00286 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 81 THR OG1 : rot -113:sc= 0.983 USER MOD Single : B 15 MET CE :methyl 161:sc= -0.0617 (180deg=-0.452) USER MOD Single : B 17 ASN : amide:sc= -1.46! C(o=-1.5!,f=-4.9!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= -0.261 K(o=-0.26,f=-0.8) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 GLN : amide:sc= -4.53! C(o=-4.5!,f=-8.2!) USER MOD Single : B 35 HIS : no HE2:sc= 1.01 K(o=1,f=-4.7!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -4.14! C(o=-4.1!,f=-5.4!) USER MOD Single : B 45 SER OG : rot 75:sc= 1.28 USER MOD Single : B 51 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.49) USER MOD Single : B 52 CYS SG : rot 72:sc= 0.287 USER MOD Single : B 55 THR OG1 : rot 54:sc= 0.28 USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : B 81 THR OG1 : rot -115:sc= 0.939 USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 14.561 5.927 -2.134 1.00 1.26 N ATOM 21 CA ASP A 16 13.380 5.150 -2.481 1.00 1.13 C ATOM 22 C ASP A 16 12.191 5.556 -1.624 1.00 0.92 C ATOM 23 O ASP A 16 12.104 5.194 -0.450 1.00 1.01 O ATOM 24 CB ASP A 16 13.644 3.650 -2.312 1.00 1.39 C ATOM 25 CG ASP A 16 14.557 3.086 -3.379 1.00 1.84 C ATOM 26 OD1 ASP A 16 15.793 3.183 -3.225 1.00 2.40 O ATOM 27 OD2 ASP A 16 14.042 2.531 -4.375 1.00 2.28 O ATOM 0 HA ASP A 16 13.149 5.354 -3.526 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.087 3.473 -1.332 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.695 3.115 -2.334 1.00 1.39 H new ATOM 32 N ASN A 17 11.278 6.309 -2.213 1.00 0.78 N ATOM 33 CA ASN A 17 10.058 6.712 -1.522 1.00 0.74 C ATOM 34 C ASN A 17 9.102 5.535 -1.407 1.00 0.61 C ATOM 35 O ASN A 17 8.196 5.534 -0.582 1.00 0.65 O ATOM 36 CB ASN A 17 9.355 7.850 -2.266 1.00 0.92 C ATOM 37 CG ASN A 17 8.811 7.425 -3.621 1.00 1.56 C ATOM 38 OD1 ASN A 17 9.417 6.615 -4.328 1.00 2.52 O ATOM 39 ND2 ASN A 17 7.649 7.940 -3.980 1.00 1.71 N ATOM 0 H ASN A 17 11.355 6.656 -3.169 1.00 0.78 H new ATOM 0 HA ASN A 17 10.341 7.057 -0.528 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.536 8.226 -1.653 1.00 0.92 H new ATOM 0 HB3 ASN A 17 10.055 8.674 -2.404 1.00 0.92 H new ATOM 0 HD21 ASN A 17 7.224 7.671 -4.867 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.177 8.607 -3.370 1.00 1.71 H new ATOM 46 N LYS A 18 9.326 4.529 -2.238 1.00 0.59 N ATOM 47 CA LYS A 18 8.420 3.397 -2.343 1.00 0.62 C ATOM 48 C LYS A 18 8.473 2.494 -1.115 1.00 0.53 C ATOM 49 O LYS A 18 7.515 1.789 -0.834 1.00 0.48 O ATOM 50 CB LYS A 18 8.727 2.619 -3.619 1.00 0.82 C ATOM 51 CG LYS A 18 8.306 3.369 -4.873 1.00 1.09 C ATOM 52 CD LYS A 18 9.164 3.010 -6.073 1.00 1.04 C ATOM 53 CE LYS A 18 9.069 1.537 -6.429 1.00 1.44 C ATOM 54 NZ LYS A 18 9.929 1.200 -7.594 1.00 1.90 N ATOM 0 H LYS A 18 10.136 4.474 -2.855 1.00 0.59 H new ATOM 0 HA LYS A 18 7.401 3.780 -2.392 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.796 2.411 -3.666 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.216 1.657 -3.586 1.00 0.82 H new ATOM 0 HG2 LYS A 18 7.263 3.145 -5.095 1.00 1.09 H new ATOM 0 HG3 LYS A 18 8.370 4.442 -4.691 1.00 1.09 H new ATOM 0 HD2 LYS A 18 8.856 3.609 -6.930 1.00 1.04 H new ATOM 0 HD3 LYS A 18 10.203 3.265 -5.863 1.00 1.04 H new ATOM 0 HE2 LYS A 18 9.366 0.935 -5.570 1.00 1.44 H new ATOM 0 HE3 LYS A 18 8.033 1.282 -6.655 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 9.840 0.187 -7.810 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 9.629 1.757 -8.419 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 10.920 1.420 -7.369 1.00 1.90 H new ATOM 68 N LYS A 19 9.578 2.523 -0.376 1.00 0.60 N ATOM 69 CA LYS A 19 9.659 1.783 0.885 1.00 0.61 C ATOM 70 C LYS A 19 9.123 2.625 2.035 1.00 0.53 C ATOM 71 O LYS A 19 8.737 2.093 3.063 1.00 0.55 O ATOM 72 CB LYS A 19 11.084 1.308 1.180 1.00 0.77 C ATOM 73 CG LYS A 19 12.142 2.356 0.865 1.00 0.82 C ATOM 74 CD LYS A 19 13.556 1.812 0.979 1.00 1.19 C ATOM 75 CE LYS A 19 13.932 1.510 2.415 1.00 1.06 C ATOM 76 NZ LYS A 19 15.372 1.178 2.543 1.00 1.49 N ATOM 0 H LYS A 19 10.421 3.043 -0.621 1.00 0.60 H new ATOM 0 HA LYS A 19 9.037 0.894 0.782 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.158 1.031 2.232 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.288 0.409 0.599 1.00 0.77 H new ATOM 0 HG2 LYS A 19 11.983 2.735 -0.144 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.026 3.200 1.545 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.645 0.904 0.382 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.258 2.536 0.565 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.699 2.371 3.042 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.332 0.677 2.782 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.492 0.420 3.244 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.738 0.860 1.623 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.897 2.021 2.852 1.00 1.49 H new ATOM 90 N ARG A 20 9.084 3.935 1.849 1.00 0.54 N ATOM 91 CA ARG A 20 8.439 4.817 2.817 1.00 0.58 C ATOM 92 C ARG A 20 6.928 4.706 2.641 1.00 0.54 C ATOM 93 O ARG A 20 6.161 4.679 3.605 1.00 0.61 O ATOM 94 CB ARG A 20 8.906 6.256 2.617 1.00 0.70 C ATOM 95 CG ARG A 20 10.403 6.411 2.794 1.00 0.82 C ATOM 96 CD ARG A 20 10.884 7.800 2.411 1.00 1.01 C ATOM 97 NE ARG A 20 12.339 7.910 2.508 1.00 1.31 N ATOM 98 CZ ARG A 20 13.013 9.058 2.444 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.370 10.210 2.305 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.336 9.050 2.525 1.00 2.34 N ATOM 0 H ARG A 20 9.488 4.412 1.043 1.00 0.54 H new ATOM 0 HA ARG A 20 8.710 4.521 3.830 1.00 0.58 H new ATOM 0 HB2 ARG A 20 8.625 6.590 1.618 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.391 6.904 3.326 1.00 0.70 H new ATOM 0 HG2 ARG A 20 10.667 6.210 3.832 1.00 0.82 H new ATOM 0 HG3 ARG A 20 10.918 5.669 2.184 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.568 8.027 1.393 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.418 8.540 3.062 1.00 1.01 H new ATOM 0 HE ARG A 20 12.874 7.051 2.633 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.352 10.222 2.246 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.894 11.084 2.257 1.00 1.32 H new ATOM 0 HH21 ARG A 20 14.835 8.167 2.636 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.855 9.927 2.476 1.00 2.34 H new ATOM 114 N LEU A 21 6.522 4.634 1.379 1.00 0.54 N ATOM 115 CA LEU A 21 5.160 4.285 1.004 1.00 0.59 C ATOM 116 C LEU A 21 4.837 2.888 1.514 1.00 0.57 C ATOM 117 O LEU A 21 3.760 2.629 2.046 1.00 0.64 O ATOM 118 CB LEU A 21 5.039 4.362 -0.526 1.00 0.64 C ATOM 119 CG LEU A 21 3.901 3.569 -1.178 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.555 3.935 -0.561 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.884 3.845 -2.670 1.00 0.61 C ATOM 0 H LEU A 21 7.133 4.817 0.583 1.00 0.54 H new ATOM 0 HA LEU A 21 4.447 4.979 1.449 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.923 5.410 -0.804 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.980 4.020 -0.957 1.00 0.64 H new ATOM 0 HG LEU A 21 4.072 2.507 -1.005 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.765 3.358 -1.042 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.570 3.710 0.505 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.366 4.999 -0.705 1.00 0.70 H new ATOM 0 HD21 LEU A 21 3.075 3.282 -3.135 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.729 4.910 -2.841 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.835 3.542 -3.107 1.00 0.61 H new ATOM 133 N ALA A 22 5.797 2.001 1.352 1.00 0.56 N ATOM 134 CA ALA A 22 5.701 0.650 1.859 1.00 0.63 C ATOM 135 C ALA A 22 5.516 0.648 3.372 1.00 0.51 C ATOM 136 O ALA A 22 4.659 -0.059 3.907 1.00 0.44 O ATOM 137 CB ALA A 22 6.956 -0.100 1.482 1.00 0.83 C ATOM 0 H ALA A 22 6.670 2.199 0.862 1.00 0.56 H new ATOM 0 HA ALA A 22 4.831 0.161 1.419 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.897 -1.121 1.859 1.00 0.83 H new ATOM 0 HB2 ALA A 22 7.057 -0.119 0.397 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.822 0.398 1.918 1.00 0.83 H new ATOM 143 N TYR A 23 6.331 1.456 4.045 1.00 0.62 N ATOM 144 CA TYR A 23 6.275 1.613 5.492 1.00 0.76 C ATOM 145 C TYR A 23 4.856 1.934 5.933 1.00 0.67 C ATOM 146 O TYR A 23 4.366 1.399 6.922 1.00 0.67 O ATOM 147 CB TYR A 23 7.237 2.730 5.922 1.00 1.11 C ATOM 148 CG TYR A 23 7.273 2.995 7.410 1.00 1.03 C ATOM 149 CD1 TYR A 23 7.902 2.112 8.276 1.00 1.86 C ATOM 150 CD2 TYR A 23 6.692 4.138 7.946 1.00 1.46 C ATOM 151 CE1 TYR A 23 7.949 2.359 9.635 1.00 2.48 C ATOM 152 CE2 TYR A 23 6.736 4.391 9.303 1.00 1.82 C ATOM 153 CZ TYR A 23 7.365 3.498 10.143 1.00 2.23 C ATOM 154 OH TYR A 23 7.413 3.746 11.495 1.00 2.99 O ATOM 0 H TYR A 23 7.052 2.022 3.598 1.00 0.62 H new ATOM 0 HA TYR A 23 6.577 0.680 5.968 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.242 2.473 5.588 1.00 1.11 H new ATOM 0 HB3 TYR A 23 6.956 3.650 5.410 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.362 1.218 7.882 1.00 1.86 H new ATOM 0 HD2 TYR A 23 6.198 4.840 7.291 1.00 1.46 H new ATOM 0 HE1 TYR A 23 8.442 1.661 10.296 1.00 2.48 H new ATOM 0 HE2 TYR A 23 6.280 5.284 9.704 1.00 1.82 H new ATOM 0 HH TYR A 23 6.956 4.591 11.689 1.00 2.99 H new ATOM 164 N ALA A 24 4.203 2.794 5.165 1.00 0.72 N ATOM 165 CA ALA A 24 2.816 3.164 5.408 1.00 0.87 C ATOM 166 C ALA A 24 1.912 1.947 5.459 1.00 0.75 C ATOM 167 O ALA A 24 1.073 1.812 6.351 1.00 0.84 O ATOM 168 CB ALA A 24 2.334 4.069 4.296 1.00 1.14 C ATOM 0 H ALA A 24 4.619 3.255 4.356 1.00 0.72 H new ATOM 0 HA ALA A 24 2.774 3.672 6.371 1.00 0.87 H new ATOM 0 HB1 ALA A 24 1.296 4.347 4.477 1.00 1.14 H new ATOM 0 HB2 ALA A 24 2.950 4.968 4.266 1.00 1.14 H new ATOM 0 HB3 ALA A 24 2.409 3.546 3.343 1.00 1.14 H new ATOM 174 N ILE A 25 2.111 1.069 4.498 1.00 0.62 N ATOM 175 CA ILE A 25 1.212 -0.043 4.271 1.00 0.71 C ATOM 176 C ILE A 25 1.411 -1.130 5.319 1.00 0.61 C ATOM 177 O ILE A 25 0.441 -1.642 5.870 1.00 0.66 O ATOM 178 CB ILE A 25 1.393 -0.616 2.849 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.310 0.525 1.824 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.328 -1.669 2.569 1.00 0.91 C ATOM 181 CD1 ILE A 25 1.674 0.125 0.406 1.00 0.89 C ATOM 0 H ILE A 25 2.900 1.106 3.853 1.00 0.62 H new ATOM 0 HA ILE A 25 0.191 0.329 4.361 1.00 0.71 H new ATOM 0 HB ILE A 25 2.371 -1.091 2.770 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.296 0.925 1.826 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.972 1.331 2.142 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.465 -2.067 1.563 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.417 -2.478 3.294 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.661 -1.217 2.649 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.588 0.991 -0.250 1.00 0.89 H new ATOM 0 HD12 ILE A 25 2.699 -0.246 0.384 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.997 -0.658 0.064 1.00 0.89 H new ATOM 193 N ILE A 26 2.662 -1.470 5.615 1.00 0.53 N ATOM 194 CA ILE A 26 2.928 -2.437 6.673 1.00 0.53 C ATOM 195 C ILE A 26 2.480 -1.881 8.022 1.00 0.51 C ATOM 196 O ILE A 26 1.787 -2.559 8.768 1.00 0.53 O ATOM 197 CB ILE A 26 4.419 -2.862 6.746 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.785 -3.737 5.538 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.708 -3.599 8.052 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.099 -4.490 5.687 1.00 0.78 C ATOM 0 H ILE A 26 3.490 -1.100 5.149 1.00 0.53 H new ATOM 0 HA ILE A 26 2.353 -3.331 6.430 1.00 0.53 H new ATOM 0 HB ILE A 26 5.035 -1.963 6.721 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.984 -4.457 5.369 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.839 -3.107 4.650 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.759 -3.888 8.082 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.487 -2.945 8.895 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.085 -4.491 8.112 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.282 -5.083 4.791 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.913 -3.778 5.823 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.044 -5.149 6.553 1.00 0.78 H new ATOM 212 N GLN A 27 2.843 -0.634 8.304 1.00 0.54 N ATOM 213 CA GLN A 27 2.544 -0.009 9.595 1.00 0.62 C ATOM 214 C GLN A 27 1.047 0.083 9.878 1.00 0.55 C ATOM 215 O GLN A 27 0.546 -0.547 10.809 1.00 0.57 O ATOM 216 CB GLN A 27 3.158 1.387 9.656 1.00 0.79 C ATOM 217 CG GLN A 27 4.616 1.382 10.076 1.00 0.89 C ATOM 218 CD GLN A 27 4.816 0.820 11.470 1.00 1.10 C ATOM 219 OE1 GLN A 27 3.943 0.931 12.332 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.962 0.207 11.702 1.00 1.34 N ATOM 0 H GLN A 27 3.347 -0.031 7.654 1.00 0.54 H new ATOM 0 HA GLN A 27 2.981 -0.649 10.361 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.070 1.858 8.677 1.00 0.79 H new ATOM 0 HB3 GLN A 27 2.587 1.997 10.356 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.194 0.793 9.364 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.005 2.399 10.038 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.661 0.135 10.962 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.149 -0.195 12.621 1.00 1.34 H new ATOM 229 N PHE A 28 0.343 0.865 9.069 1.00 0.52 N ATOM 230 CA PHE A 28 -1.075 1.136 9.292 1.00 0.51 C ATOM 231 C PHE A 28 -1.881 -0.147 9.311 1.00 0.43 C ATOM 232 O PHE A 28 -2.648 -0.403 10.239 1.00 0.42 O ATOM 233 CB PHE A 28 -1.599 2.066 8.203 1.00 0.60 C ATOM 234 CG PHE A 28 -3.085 2.301 8.236 1.00 0.90 C ATOM 235 CD1 PHE A 28 -3.700 2.817 9.365 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.860 2.012 7.127 1.00 1.62 C ATOM 237 CE1 PHE A 28 -5.064 3.037 9.384 1.00 1.98 C ATOM 238 CE2 PHE A 28 -5.222 2.228 7.140 1.00 1.95 C ATOM 239 CZ PHE A 28 -5.827 2.741 8.271 1.00 1.83 C ATOM 0 H PHE A 28 0.733 1.326 8.247 1.00 0.52 H new ATOM 0 HA PHE A 28 -1.183 1.617 10.264 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -1.091 3.027 8.290 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -1.332 1.651 7.231 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -3.108 3.049 10.238 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -3.392 1.612 6.240 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -5.534 3.440 10.269 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.815 1.996 6.267 1.00 1.95 H new ATOM 0 HZ PHE A 28 -6.894 2.910 8.285 1.00 1.83 H new ATOM 249 N LEU A 29 -1.701 -0.948 8.278 1.00 0.45 N ATOM 250 CA LEU A 29 -2.401 -2.222 8.175 1.00 0.45 C ATOM 251 C LEU A 29 -2.051 -3.157 9.336 1.00 0.45 C ATOM 252 O LEU A 29 -2.878 -3.966 9.744 1.00 0.48 O ATOM 253 CB LEU A 29 -2.113 -2.906 6.834 1.00 0.53 C ATOM 254 CG LEU A 29 -2.950 -2.412 5.644 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.680 -0.945 5.332 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.673 -3.268 4.421 1.00 0.70 C ATOM 0 H LEU A 29 -1.078 -0.743 7.497 1.00 0.45 H new ATOM 0 HA LEU A 29 -3.468 -2.005 8.230 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -1.058 -2.769 6.595 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -2.276 -3.977 6.950 1.00 0.53 H new ATOM 0 HG LEU A 29 -4.001 -2.502 5.918 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.291 -0.635 4.485 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.929 -0.336 6.201 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.626 -0.813 5.087 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -3.271 -2.910 3.583 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.615 -3.205 4.165 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.933 -4.304 4.636 1.00 0.70 H new ATOM 268 N HIS A 30 -0.840 -3.035 9.878 1.00 0.47 N ATOM 269 CA HIS A 30 -0.427 -3.852 11.023 1.00 0.53 C ATOM 270 C HIS A 30 -1.134 -3.389 12.294 1.00 0.47 C ATOM 271 O HIS A 30 -1.587 -4.207 13.093 1.00 0.49 O ATOM 272 CB HIS A 30 1.093 -3.791 11.215 1.00 0.67 C ATOM 273 CG HIS A 30 1.617 -4.687 12.295 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.293 -4.216 13.399 1.00 1.11 N ATOM 275 CD2 HIS A 30 1.584 -6.035 12.423 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.652 -5.234 14.158 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.234 -6.347 13.589 1.00 1.41 N ATOM 0 H HIS A 30 -0.130 -2.383 9.546 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.710 -4.885 10.820 1.00 0.53 H new ATOM 0 HB2 HIS A 30 1.577 -4.055 10.274 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.377 -2.764 11.442 1.00 0.67 H new ATOM 0 HD2 HIS A 30 1.130 -6.733 11.735 1.00 1.18 H new ATOM 0 HE1 HIS A 30 3.196 -5.167 15.088 1.00 1.37 H new ATOM 0 HE2 HIS A 30 2.372 -7.288 13.957 1.00 1.41 H new ATOM 286 N ASP A 31 -1.225 -2.078 12.479 1.00 0.48 N ATOM 287 CA ASP A 31 -1.938 -1.523 13.625 1.00 0.51 C ATOM 288 C ASP A 31 -3.422 -1.833 13.523 1.00 0.45 C ATOM 289 O ASP A 31 -4.051 -2.238 14.499 1.00 0.49 O ATOM 290 CB ASP A 31 -1.723 -0.013 13.738 1.00 0.63 C ATOM 291 CG ASP A 31 -0.453 0.336 14.484 1.00 1.24 C ATOM 292 OD1 ASP A 31 -0.508 0.484 15.726 1.00 1.79 O ATOM 293 OD2 ASP A 31 0.605 0.472 13.839 1.00 1.98 O ATOM 0 H ASP A 31 -0.817 -1.382 11.855 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.536 -1.989 14.525 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.685 0.421 12.739 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -2.575 0.435 14.248 1.00 0.63 H new ATOM 298 N GLN A 32 -3.973 -1.651 12.331 1.00 0.42 N ATOM 299 CA GLN A 32 -5.360 -2.006 12.063 1.00 0.43 C ATOM 300 C GLN A 32 -5.577 -3.493 12.322 1.00 0.38 C ATOM 301 O GLN A 32 -6.616 -3.903 12.838 1.00 0.43 O ATOM 302 CB GLN A 32 -5.723 -1.640 10.613 1.00 0.52 C ATOM 303 CG GLN A 32 -7.100 -2.118 10.157 1.00 0.57 C ATOM 304 CD GLN A 32 -7.116 -3.565 9.683 1.00 1.17 C ATOM 305 OE1 GLN A 32 -8.109 -4.273 9.851 1.00 1.92 O ATOM 306 NE2 GLN A 32 -6.027 -4.009 9.071 1.00 1.31 N ATOM 0 H GLN A 32 -3.478 -1.258 11.531 1.00 0.42 H new ATOM 0 HA GLN A 32 -6.013 -1.445 12.732 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -5.676 -0.557 10.504 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.969 -2.061 9.947 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -7.805 -2.006 10.980 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -7.449 -1.476 9.349 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -5.223 -3.393 8.950 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.993 -4.967 8.721 1.00 1.31 H new ATOM 315 N LEU A 33 -4.571 -4.285 11.979 1.00 0.36 N ATOM 316 CA LEU A 33 -4.628 -5.732 12.128 1.00 0.42 C ATOM 317 C LEU A 33 -4.830 -6.117 13.589 1.00 0.46 C ATOM 318 O LEU A 33 -5.578 -7.043 13.901 1.00 0.54 O ATOM 319 CB LEU A 33 -3.331 -6.351 11.593 1.00 0.53 C ATOM 320 CG LEU A 33 -3.493 -7.602 10.731 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.014 -8.765 11.556 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.415 -7.315 9.555 1.00 0.83 C ATOM 0 H LEU A 33 -3.693 -3.943 11.590 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.475 -6.112 11.557 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.806 -5.596 11.008 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.693 -6.598 12.441 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.514 -7.882 10.342 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.121 -9.644 10.920 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.312 -8.983 12.361 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.984 -8.505 11.980 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.522 -8.214 8.949 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.393 -7.009 9.926 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.991 -6.516 8.947 1.00 0.83 H new ATOM 334 N ARG A 34 -4.179 -5.387 14.482 1.00 0.47 N ATOM 335 CA ARG A 34 -4.261 -5.685 15.902 1.00 0.58 C ATOM 336 C ARG A 34 -5.517 -5.066 16.518 1.00 0.58 C ATOM 337 O ARG A 34 -5.893 -5.393 17.642 1.00 0.69 O ATOM 338 CB ARG A 34 -3.010 -5.180 16.627 1.00 0.69 C ATOM 339 CG ARG A 34 -2.820 -5.785 18.010 1.00 1.40 C ATOM 340 CD ARG A 34 -2.655 -7.294 17.932 1.00 1.45 C ATOM 341 NE ARG A 34 -2.525 -7.911 19.250 1.00 2.17 N ATOM 342 CZ ARG A 34 -2.473 -9.228 19.447 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.550 -10.060 18.415 1.00 2.19 N ATOM 344 NH2 ARG A 34 -2.351 -9.713 20.674 1.00 3.49 N ATOM 0 H ARG A 34 -3.590 -4.587 14.249 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.321 -6.767 16.018 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.133 -5.403 16.019 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.067 -4.095 16.719 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.943 -5.345 18.485 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.678 -5.542 18.637 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.513 -7.724 17.416 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -1.774 -7.530 17.335 1.00 1.45 H new ATOM 0 HE ARG A 34 -2.471 -7.300 20.065 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.649 -9.691 17.469 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.510 -11.068 18.568 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -2.297 -9.078 21.470 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -2.311 -10.721 20.822 1.00 3.49 H new ATOM 358 N HIS A 35 -6.168 -4.177 15.780 1.00 0.53 N ATOM 359 CA HIS A 35 -7.378 -3.525 16.275 1.00 0.58 C ATOM 360 C HIS A 35 -8.635 -4.204 15.748 1.00 0.58 C ATOM 361 O HIS A 35 -9.680 -4.188 16.398 1.00 0.74 O ATOM 362 CB HIS A 35 -7.396 -2.042 15.905 1.00 0.59 C ATOM 363 CG HIS A 35 -6.525 -1.189 16.776 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.217 -0.885 16.469 1.00 1.98 N ATOM 365 CD2 HIS A 35 -6.787 -0.564 17.948 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.714 -0.112 17.411 1.00 2.68 C ATOM 367 NE2 HIS A 35 -5.647 0.098 18.319 1.00 2.42 N ATOM 0 H HIS A 35 -5.883 -3.891 14.843 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.367 -3.616 17.361 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -7.076 -1.932 14.869 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -8.421 -1.676 15.963 1.00 0.59 H new ATOM 0 HD1 HIS A 35 -4.716 -1.208 15.641 1.00 1.98 H new ATOM 0 HD2 HIS A 35 -7.721 -0.584 18.490 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.709 0.282 17.435 1.00 2.68 H new ATOM 376 N GLY A 36 -8.530 -4.797 14.567 1.00 0.49 N ATOM 377 CA GLY A 36 -9.661 -5.486 13.979 1.00 0.51 C ATOM 378 C GLY A 36 -10.542 -4.549 13.184 1.00 0.47 C ATOM 379 O GLY A 36 -11.768 -4.611 13.276 1.00 0.53 O ATOM 0 H GLY A 36 -7.679 -4.813 14.004 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.302 -6.285 13.330 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.249 -5.956 14.767 1.00 0.51 H new ATOM 383 N GLY A 37 -9.912 -3.680 12.406 1.00 0.41 N ATOM 384 CA GLY A 37 -10.642 -2.673 11.662 1.00 0.40 C ATOM 385 C GLY A 37 -11.506 -3.247 10.557 1.00 0.39 C ATOM 386 O GLY A 37 -12.665 -2.860 10.409 1.00 0.52 O ATOM 0 H GLY A 37 -8.901 -3.655 12.276 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -11.272 -2.110 12.350 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.933 -1.967 11.229 1.00 0.40 H new ATOM 390 N LEU A 38 -10.947 -4.162 9.776 1.00 0.36 N ATOM 391 CA LEU A 38 -11.669 -4.733 8.644 1.00 0.41 C ATOM 392 C LEU A 38 -12.472 -5.972 9.045 1.00 0.49 C ATOM 393 O LEU A 38 -13.556 -5.855 9.615 1.00 0.83 O ATOM 394 CB LEU A 38 -10.715 -5.068 7.488 1.00 0.44 C ATOM 395 CG LEU A 38 -10.318 -3.885 6.585 1.00 0.44 C ATOM 396 CD1 LEU A 38 -11.546 -3.273 5.930 1.00 0.51 C ATOM 397 CD2 LEU A 38 -9.555 -2.821 7.357 1.00 0.47 C ATOM 0 H LEU A 38 -10.002 -4.524 9.903 1.00 0.36 H new ATOM 0 HA LEU A 38 -12.374 -3.974 8.304 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.807 -5.503 7.905 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -11.180 -5.834 6.868 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.659 -4.276 5.810 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -11.243 -2.439 5.297 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -12.048 -4.026 5.323 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -12.229 -2.914 6.700 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -9.292 -2.003 6.686 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -10.179 -2.441 8.166 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -8.646 -3.255 7.773 1.00 0.47 H new ATOM 409 N SER A 39 -11.939 -7.153 8.760 1.00 0.47 N ATOM 410 CA SER A 39 -12.648 -8.394 9.035 1.00 0.54 C ATOM 411 C SER A 39 -11.671 -9.466 9.516 1.00 0.48 C ATOM 412 O SER A 39 -10.460 -9.321 9.340 1.00 0.46 O ATOM 413 CB SER A 39 -13.392 -8.863 7.776 1.00 0.67 C ATOM 414 OG SER A 39 -14.239 -9.968 8.050 1.00 1.42 O ATOM 0 H SER A 39 -11.018 -7.277 8.339 1.00 0.47 H new ATOM 0 HA SER A 39 -13.379 -8.218 9.825 1.00 0.54 H new ATOM 0 HB2 SER A 39 -13.984 -8.040 7.375 1.00 0.67 H new ATOM 0 HB3 SER A 39 -12.670 -9.139 7.008 1.00 0.67 H new ATOM 0 HG SER A 39 -14.698 -10.240 7.228 1.00 1.42 H new ATOM 420 N SER A 40 -12.190 -10.534 10.106 1.00 0.60 N ATOM 421 CA SER A 40 -11.356 -11.558 10.726 1.00 0.61 C ATOM 422 C SER A 40 -10.411 -12.221 9.720 1.00 0.53 C ATOM 423 O SER A 40 -9.191 -12.203 9.900 1.00 0.50 O ATOM 424 CB SER A 40 -12.240 -12.607 11.397 1.00 0.77 C ATOM 425 OG SER A 40 -13.087 -12.007 12.366 1.00 1.63 O ATOM 0 H SER A 40 -13.192 -10.716 10.169 1.00 0.60 H new ATOM 0 HA SER A 40 -10.733 -11.070 11.476 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.843 -13.116 10.645 1.00 0.77 H new ATOM 0 HB3 SER A 40 -11.617 -13.365 11.872 1.00 0.77 H new ATOM 0 HG SER A 40 -13.646 -12.695 12.783 1.00 1.63 H new ATOM 431 N ASP A 41 -10.970 -12.793 8.658 1.00 0.57 N ATOM 432 CA ASP A 41 -10.164 -13.470 7.643 1.00 0.58 C ATOM 433 C ASP A 41 -9.264 -12.472 6.927 1.00 0.53 C ATOM 434 O ASP A 41 -8.136 -12.792 6.551 1.00 0.56 O ATOM 435 CB ASP A 41 -11.058 -14.192 6.634 1.00 0.71 C ATOM 436 CG ASP A 41 -10.264 -14.974 5.607 1.00 1.25 C ATOM 437 OD1 ASP A 41 -9.679 -16.013 5.972 1.00 2.20 O ATOM 438 OD2 ASP A 41 -10.239 -14.568 4.428 1.00 1.69 O ATOM 0 H ASP A 41 -11.974 -12.802 8.477 1.00 0.57 H new ATOM 0 HA ASP A 41 -9.540 -14.211 8.143 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -11.725 -14.871 7.166 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.686 -13.462 6.123 1.00 0.71 H new ATOM 443 N ALA A 42 -9.772 -11.258 6.761 1.00 0.51 N ATOM 444 CA ALA A 42 -9.005 -10.168 6.173 1.00 0.51 C ATOM 445 C ALA A 42 -7.746 -9.895 6.984 1.00 0.47 C ATOM 446 O ALA A 42 -6.683 -9.635 6.426 1.00 0.52 O ATOM 447 CB ALA A 42 -9.857 -8.917 6.107 1.00 0.54 C ATOM 0 H ALA A 42 -10.722 -11.002 7.029 1.00 0.51 H new ATOM 0 HA ALA A 42 -8.709 -10.458 5.165 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.278 -8.105 5.666 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -10.738 -9.109 5.494 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.169 -8.636 7.113 1.00 0.54 H new ATOM 453 N GLN A 43 -7.889 -9.956 8.301 1.00 0.44 N ATOM 454 CA GLN A 43 -6.778 -9.757 9.220 1.00 0.45 C ATOM 455 C GLN A 43 -5.614 -10.687 8.894 1.00 0.45 C ATOM 456 O GLN A 43 -4.552 -10.244 8.456 1.00 0.48 O ATOM 457 CB GLN A 43 -7.249 -10.007 10.648 1.00 0.49 C ATOM 458 CG GLN A 43 -8.011 -8.850 11.270 1.00 0.82 C ATOM 459 CD GLN A 43 -8.577 -9.193 12.638 1.00 0.85 C ATOM 460 OE1 GLN A 43 -8.733 -8.325 13.493 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.885 -10.461 12.861 1.00 1.12 N ATOM 0 H GLN A 43 -8.779 -10.145 8.762 1.00 0.44 H new ATOM 0 HA GLN A 43 -6.429 -8.730 9.117 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -7.885 -10.892 10.658 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -6.382 -10.231 11.269 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.348 -7.990 11.360 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -8.825 -8.557 10.607 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -8.743 -11.157 12.129 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.264 -10.742 13.765 1.00 1.12 H new ATOM 470 N GLU A 44 -5.828 -11.977 9.107 1.00 0.49 N ATOM 471 CA GLU A 44 -4.810 -12.987 8.825 1.00 0.54 C ATOM 472 C GLU A 44 -4.295 -12.892 7.386 1.00 0.51 C ATOM 473 O GLU A 44 -3.112 -13.132 7.128 1.00 0.50 O ATOM 474 CB GLU A 44 -5.349 -14.395 9.096 1.00 0.68 C ATOM 475 CG GLU A 44 -5.381 -14.780 10.572 1.00 1.20 C ATOM 476 CD GLU A 44 -6.443 -14.048 11.368 1.00 1.65 C ATOM 477 OE1 GLU A 44 -6.165 -12.943 11.869 1.00 2.20 O ATOM 478 OE2 GLU A 44 -7.557 -14.591 11.519 1.00 2.36 O ATOM 0 H GLU A 44 -6.701 -12.354 9.476 1.00 0.49 H new ATOM 0 HA GLU A 44 -3.973 -12.792 9.495 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -6.358 -14.470 8.691 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -4.735 -15.117 8.557 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -5.552 -15.853 10.655 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -4.405 -14.578 11.013 1.00 1.20 H new ATOM 485 N SER A 45 -5.171 -12.530 6.456 1.00 0.54 N ATOM 486 CA SER A 45 -4.784 -12.398 5.057 1.00 0.59 C ATOM 487 C SER A 45 -3.805 -11.240 4.854 1.00 0.55 C ATOM 488 O SER A 45 -2.913 -11.319 4.009 1.00 0.58 O ATOM 489 CB SER A 45 -6.017 -12.209 4.173 1.00 0.71 C ATOM 490 OG SER A 45 -6.869 -13.342 4.243 1.00 1.04 O ATOM 0 H SER A 45 -6.152 -12.323 6.645 1.00 0.54 H new ATOM 0 HA SER A 45 -4.280 -13.320 4.767 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.562 -11.319 4.488 1.00 0.71 H new ATOM 0 HB3 SER A 45 -5.708 -12.045 3.141 1.00 0.71 H new ATOM 0 HG SER A 45 -7.425 -13.284 5.048 1.00 1.04 H new ATOM 496 N LEU A 46 -3.952 -10.171 5.633 1.00 0.56 N ATOM 497 CA LEU A 46 -3.047 -9.033 5.512 1.00 0.60 C ATOM 498 C LEU A 46 -1.661 -9.396 5.996 1.00 0.50 C ATOM 499 O LEU A 46 -0.680 -8.843 5.524 1.00 0.48 O ATOM 500 CB LEU A 46 -3.547 -7.810 6.279 1.00 0.74 C ATOM 501 CG LEU A 46 -4.847 -7.204 5.766 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.076 -5.831 6.375 1.00 1.28 C ATOM 503 CD2 LEU A 46 -4.829 -7.126 4.247 1.00 1.14 C ATOM 0 H LEU A 46 -4.677 -10.070 6.343 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.011 -8.776 4.453 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.683 -8.088 7.324 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -2.773 -7.043 6.251 1.00 0.74 H new ATOM 0 HG LEU A 46 -5.673 -7.848 6.068 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.010 -5.416 5.996 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.133 -5.919 7.460 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.250 -5.172 6.107 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -5.764 -6.691 3.894 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -3.995 -6.503 3.925 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -4.716 -8.128 3.833 1.00 1.14 H new ATOM 515 N GLU A 47 -1.581 -10.325 6.932 1.00 0.49 N ATOM 516 CA GLU A 47 -0.292 -10.809 7.397 1.00 0.48 C ATOM 517 C GLU A 47 0.448 -11.465 6.233 1.00 0.43 C ATOM 518 O GLU A 47 1.656 -11.291 6.066 1.00 0.45 O ATOM 519 CB GLU A 47 -0.475 -11.800 8.545 1.00 0.55 C ATOM 520 CG GLU A 47 0.827 -12.221 9.202 1.00 0.81 C ATOM 521 CD GLU A 47 0.625 -13.291 10.249 1.00 1.06 C ATOM 522 OE1 GLU A 47 0.649 -14.487 9.890 1.00 1.76 O ATOM 523 OE2 GLU A 47 0.436 -12.946 11.435 1.00 1.51 O ATOM 0 H GLU A 47 -2.387 -10.757 7.383 1.00 0.49 H new ATOM 0 HA GLU A 47 0.296 -9.970 7.769 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.124 -11.354 9.298 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -0.985 -12.687 8.170 1.00 0.55 H new ATOM 0 HG2 GLU A 47 1.513 -12.588 8.439 1.00 0.81 H new ATOM 0 HG3 GLU A 47 1.297 -11.351 9.661 1.00 0.81 H new ATOM 530 N VAL A 48 -0.303 -12.195 5.414 1.00 0.41 N ATOM 531 CA VAL A 48 0.239 -12.788 4.201 1.00 0.42 C ATOM 532 C VAL A 48 0.643 -11.690 3.228 1.00 0.41 C ATOM 533 O VAL A 48 1.745 -11.700 2.680 1.00 0.43 O ATOM 534 CB VAL A 48 -0.789 -13.701 3.501 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.135 -14.492 2.379 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.453 -14.629 4.498 1.00 0.49 C ATOM 0 H VAL A 48 -1.292 -12.389 5.571 1.00 0.41 H new ATOM 0 HA VAL A 48 1.102 -13.388 4.490 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.560 -13.067 3.063 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -0.879 -15.128 1.901 1.00 0.49 H new ATOM 0 HG12 VAL A 48 0.281 -13.804 1.643 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.663 -15.112 2.788 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.174 -15.263 3.981 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -0.697 -15.253 4.974 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -1.967 -14.040 5.257 1.00 0.49 H new ATOM 546 N ALA A 49 -0.266 -10.738 3.037 1.00 0.41 N ATOM 547 CA ALA A 49 -0.049 -9.622 2.128 1.00 0.43 C ATOM 548 C ALA A 49 1.199 -8.840 2.498 1.00 0.43 C ATOM 549 O ALA A 49 2.015 -8.530 1.643 1.00 0.48 O ATOM 550 CB ALA A 49 -1.257 -8.699 2.124 1.00 0.44 C ATOM 0 H ALA A 49 -1.171 -10.720 3.508 1.00 0.41 H new ATOM 0 HA ALA A 49 0.092 -10.033 1.128 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -1.079 -7.870 1.439 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.138 -9.254 1.801 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.422 -8.311 3.129 1.00 0.44 H new ATOM 556 N ILE A 50 1.333 -8.541 3.779 1.00 0.40 N ATOM 557 CA ILE A 50 2.465 -7.790 4.301 1.00 0.40 C ATOM 558 C ILE A 50 3.795 -8.458 3.952 1.00 0.38 C ATOM 559 O ILE A 50 4.730 -7.796 3.504 1.00 0.41 O ATOM 560 CB ILE A 50 2.336 -7.633 5.834 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.273 -6.583 6.172 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.672 -7.273 6.476 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.967 -6.478 7.653 1.00 0.61 C ATOM 0 H ILE A 50 0.656 -8.814 4.491 1.00 0.40 H new ATOM 0 HA ILE A 50 2.455 -6.805 3.833 1.00 0.40 H new ATOM 0 HB ILE A 50 2.025 -8.594 6.244 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.608 -5.611 5.810 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.355 -6.824 5.637 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.542 -7.171 7.553 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.398 -8.060 6.271 1.00 0.47 H new ATOM 0 HG23 ILE A 50 4.032 -6.331 6.063 1.00 0.47 H new ATOM 0 HD11 ILE A 50 0.206 -5.715 7.814 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.601 -7.438 8.018 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.874 -6.206 8.193 1.00 0.61 H new ATOM 575 N GLN A 51 3.873 -9.768 4.135 1.00 0.39 N ATOM 576 CA GLN A 51 5.116 -10.483 3.883 1.00 0.43 C ATOM 577 C GLN A 51 5.360 -10.687 2.391 1.00 0.43 C ATOM 578 O GLN A 51 6.496 -10.601 1.927 1.00 0.47 O ATOM 579 CB GLN A 51 5.134 -11.818 4.626 1.00 0.50 C ATOM 580 CG GLN A 51 5.399 -11.667 6.115 1.00 0.78 C ATOM 581 CD GLN A 51 6.743 -11.016 6.394 1.00 1.02 C ATOM 582 OE1 GLN A 51 7.764 -11.696 6.506 1.00 1.84 O ATOM 583 NE2 GLN A 51 6.753 -9.697 6.510 1.00 1.35 N ATOM 0 H GLN A 51 3.100 -10.352 4.453 1.00 0.39 H new ATOM 0 HA GLN A 51 5.930 -9.866 4.264 1.00 0.43 H new ATOM 0 HB2 GLN A 51 4.177 -12.320 4.482 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.900 -12.460 4.190 1.00 0.50 H new ATOM 0 HG2 GLN A 51 4.607 -11.069 6.565 1.00 0.78 H new ATOM 0 HG3 GLN A 51 5.366 -12.648 6.590 1.00 0.78 H new ATOM 0 HE21 GLN A 51 5.886 -9.170 6.410 1.00 1.35 H new ATOM 0 HE22 GLN A 51 7.628 -9.208 6.699 1.00 1.35 H new ATOM 592 N CYS A 52 4.298 -10.946 1.640 1.00 0.45 N ATOM 593 CA CYS A 52 4.408 -11.045 0.189 1.00 0.53 C ATOM 594 C CYS A 52 4.817 -9.690 -0.385 1.00 0.53 C ATOM 595 O CYS A 52 5.628 -9.601 -1.316 1.00 0.60 O ATOM 596 CB CYS A 52 3.085 -11.516 -0.411 1.00 0.59 C ATOM 597 SG CYS A 52 2.566 -13.151 0.159 1.00 0.69 S ATOM 0 H CYS A 52 3.357 -11.091 2.007 1.00 0.45 H new ATOM 0 HA CYS A 52 5.172 -11.778 -0.067 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.308 -10.792 -0.166 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.175 -11.532 -1.497 1.00 0.59 H new ATOM 0 HG CYS A 52 2.255 -13.093 1.420 1.00 0.69 H new ATOM 603 N LEU A 53 4.262 -8.634 0.197 1.00 0.50 N ATOM 604 CA LEU A 53 4.702 -7.285 -0.097 1.00 0.54 C ATOM 605 C LEU A 53 6.178 -7.161 0.200 1.00 0.51 C ATOM 606 O LEU A 53 6.940 -6.738 -0.664 1.00 0.58 O ATOM 607 CB LEU A 53 3.923 -6.252 0.726 1.00 0.63 C ATOM 608 CG LEU A 53 2.566 -5.837 0.156 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.831 -4.939 1.139 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.748 -5.122 -1.172 1.00 0.61 C ATOM 0 H LEU A 53 3.504 -8.691 0.877 1.00 0.50 H new ATOM 0 HA LEU A 53 4.516 -7.087 -1.153 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.768 -6.654 1.727 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.540 -5.360 0.833 1.00 0.63 H new ATOM 0 HG LEU A 53 1.970 -6.735 -0.009 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.867 -4.652 0.719 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.674 -5.476 2.075 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.425 -4.045 1.329 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.774 -4.833 -1.566 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.359 -4.232 -1.025 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.242 -5.788 -1.879 1.00 0.61 H new ATOM 622 N GLU A 54 6.577 -7.570 1.412 1.00 0.47 N ATOM 623 CA GLU A 54 7.967 -7.456 1.855 1.00 0.51 C ATOM 624 C GLU A 54 8.907 -8.187 0.893 1.00 0.56 C ATOM 625 O GLU A 54 10.100 -7.885 0.823 1.00 0.65 O ATOM 626 CB GLU A 54 8.156 -8.003 3.270 1.00 0.56 C ATOM 627 CG GLU A 54 9.309 -7.345 4.047 1.00 0.73 C ATOM 628 CD GLU A 54 9.730 -8.172 5.245 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.077 -8.076 6.303 1.00 1.62 O ATOM 630 OE2 GLU A 54 10.711 -8.936 5.130 1.00 1.65 O ATOM 0 H GLU A 54 5.951 -7.984 2.103 1.00 0.47 H new ATOM 0 HA GLU A 54 8.214 -6.394 1.861 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.230 -7.865 3.828 1.00 0.56 H new ATOM 0 HB3 GLU A 54 8.337 -9.076 3.212 1.00 0.56 H new ATOM 0 HG2 GLU A 54 10.162 -7.208 3.383 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.002 -6.354 4.380 1.00 0.73 H new ATOM 637 N THR A 55 8.360 -9.146 0.156 1.00 0.61 N ATOM 638 CA THR A 55 9.121 -9.853 -0.857 1.00 0.78 C ATOM 639 C THR A 55 9.545 -8.893 -1.970 1.00 0.83 C ATOM 640 O THR A 55 10.698 -8.904 -2.399 1.00 0.98 O ATOM 641 CB THR A 55 8.308 -11.018 -1.446 1.00 0.95 C ATOM 642 OG1 THR A 55 7.774 -11.823 -0.385 1.00 1.00 O ATOM 643 CG2 THR A 55 9.178 -11.879 -2.350 1.00 1.16 C ATOM 0 H THR A 55 7.390 -9.450 0.244 1.00 0.61 H new ATOM 0 HA THR A 55 10.013 -10.264 -0.383 1.00 0.78 H new ATOM 0 HB THR A 55 7.492 -10.604 -2.038 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.250 -11.259 0.221 1.00 1.00 H new ATOM 0 HG21 THR A 55 8.583 -12.697 -2.756 1.00 1.16 H new ATOM 0 HG22 THR A 55 9.566 -11.272 -3.168 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.010 -12.286 -1.775 1.00 1.16 H new ATOM 651 N ALA A 56 8.613 -8.058 -2.434 1.00 0.77 N ATOM 652 CA ALA A 56 8.967 -6.974 -3.351 1.00 0.88 C ATOM 653 C ALA A 56 9.789 -5.950 -2.586 1.00 0.88 C ATOM 654 O ALA A 56 10.996 -5.824 -2.781 1.00 1.15 O ATOM 655 CB ALA A 56 7.723 -6.341 -3.949 1.00 0.90 C ATOM 0 H ALA A 56 7.623 -8.110 -2.195 1.00 0.77 H new ATOM 0 HA ALA A 56 9.553 -7.368 -4.181 1.00 0.88 H new ATOM 0 HB1 ALA A 56 8.013 -5.538 -4.627 1.00 0.90 H new ATOM 0 HB2 ALA A 56 7.160 -7.095 -4.499 1.00 0.90 H new ATOM 0 HB3 ALA A 56 7.102 -5.935 -3.151 1.00 0.90 H new ATOM 661 N PHE A 57 9.115 -5.213 -1.733 1.00 0.76 N ATOM 662 CA PHE A 57 9.742 -4.559 -0.629 1.00 1.05 C ATOM 663 C PHE A 57 8.852 -4.702 0.574 1.00 1.56 C ATOM 664 O PHE A 57 9.274 -5.163 1.624 1.00 2.05 O ATOM 665 CB PHE A 57 9.991 -3.072 -0.885 1.00 1.04 C ATOM 666 CG PHE A 57 8.914 -2.327 -1.644 1.00 0.93 C ATOM 667 CD1 PHE A 57 7.739 -1.969 -1.013 1.00 1.47 C ATOM 668 CD2 PHE A 57 9.091 -1.950 -2.966 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.760 -1.256 -1.664 1.00 1.46 C ATOM 670 CE2 PHE A 57 8.105 -1.235 -3.633 1.00 1.50 C ATOM 671 CZ PHE A 57 6.936 -0.886 -2.972 1.00 0.92 C ATOM 0 H PHE A 57 8.109 -5.055 -1.794 1.00 0.76 H new ATOM 0 HA PHE A 57 10.713 -5.028 -0.472 1.00 1.05 H new ATOM 0 HB2 PHE A 57 10.133 -2.579 0.077 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.927 -2.973 -1.435 1.00 1.04 H new ATOM 0 HD1 PHE A 57 7.585 -2.256 0.017 1.00 1.47 H new ATOM 0 HD2 PHE A 57 10.003 -2.214 -3.481 1.00 1.50 H new ATOM 0 HE1 PHE A 57 5.852 -0.987 -1.145 1.00 1.46 H new ATOM 0 HE2 PHE A 57 8.248 -0.951 -4.665 1.00 1.50 H new ATOM 0 HZ PHE A 57 6.169 -0.326 -3.486 1.00 0.92 H new ATOM 681 N GLY A 58 7.587 -4.369 0.353 1.00 1.71 N ATOM 682 CA GLY A 58 6.615 -4.114 1.405 1.00 2.29 C ATOM 683 C GLY A 58 7.071 -3.066 2.401 1.00 2.05 C ATOM 684 O GLY A 58 6.224 -2.387 2.952 1.00 2.60 O ATOM 0 H GLY A 58 7.200 -4.267 -0.585 1.00 1.71 H new ATOM 0 HA2 GLY A 58 5.677 -3.792 0.953 1.00 2.29 H new ATOM 0 HA3 GLY A 58 6.411 -5.044 1.935 1.00 2.29 H new ATOM 688 N VAL A 59 8.400 -3.043 2.651 1.00 1.35 N ATOM 689 CA VAL A 59 9.243 -1.955 3.188 1.00 1.13 C ATOM 690 C VAL A 59 10.639 -2.547 3.146 1.00 1.04 C ATOM 691 O VAL A 59 10.876 -3.512 2.441 1.00 1.22 O ATOM 692 CB VAL A 59 9.016 -1.539 4.667 1.00 0.93 C ATOM 693 CG1 VAL A 59 9.583 -0.154 4.909 1.00 1.23 C ATOM 694 CG2 VAL A 59 7.583 -1.556 5.053 1.00 1.00 C ATOM 0 H VAL A 59 8.964 -3.871 2.462 1.00 1.35 H new ATOM 0 HA VAL A 59 9.031 -1.060 2.603 1.00 1.13 H new ATOM 0 HB VAL A 59 9.532 -2.274 5.284 1.00 0.93 H new ATOM 0 HG11 VAL A 59 9.419 0.130 5.949 1.00 1.23 H new ATOM 0 HG12 VAL A 59 10.652 -0.157 4.698 1.00 1.23 H new ATOM 0 HG13 VAL A 59 9.086 0.562 4.255 1.00 1.23 H new ATOM 0 HG21 VAL A 59 7.484 -1.257 6.096 1.00 1.00 H new ATOM 0 HG22 VAL A 59 7.028 -0.862 4.422 1.00 1.00 H new ATOM 0 HG23 VAL A 59 7.183 -2.562 4.924 1.00 1.00 H new ATOM 704 N THR A 60 11.562 -1.981 3.859 1.00 1.18 N ATOM 705 CA THR A 60 12.595 -2.790 4.441 1.00 1.30 C ATOM 706 C THR A 60 12.775 -2.325 5.874 1.00 1.16 C ATOM 707 O THR A 60 12.377 -1.202 6.199 1.00 1.15 O ATOM 708 CB THR A 60 13.943 -2.774 3.692 1.00 1.94 C ATOM 709 OG1 THR A 60 14.558 -1.480 3.771 1.00 2.24 O ATOM 710 CG2 THR A 60 13.777 -3.166 2.233 1.00 2.38 C ATOM 0 H THR A 60 11.625 -0.981 4.052 1.00 1.18 H new ATOM 0 HA THR A 60 12.273 -3.829 4.378 1.00 1.30 H new ATOM 0 HB THR A 60 14.586 -3.508 4.178 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.471 -1.530 3.418 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.748 -3.143 1.737 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.361 -4.172 2.172 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.103 -2.464 1.742 1.00 2.38 H new ATOM 718 N VAL A 61 13.346 -3.145 6.729 1.00 1.41 N ATOM 719 CA VAL A 61 13.393 -2.815 8.149 1.00 1.59 C ATOM 720 C VAL A 61 14.187 -1.525 8.386 1.00 1.83 C ATOM 721 O VAL A 61 13.953 -0.796 9.355 1.00 2.11 O ATOM 722 CB VAL A 61 13.971 -3.980 8.980 1.00 1.81 C ATOM 723 CG1 VAL A 61 15.464 -4.153 8.739 1.00 2.21 C ATOM 724 CG2 VAL A 61 13.666 -3.782 10.457 1.00 1.95 C ATOM 0 H VAL A 61 13.780 -4.033 6.478 1.00 1.41 H new ATOM 0 HA VAL A 61 12.369 -2.649 8.483 1.00 1.59 H new ATOM 0 HB VAL A 61 13.487 -4.900 8.653 1.00 1.81 H new ATOM 0 HG11 VAL A 61 15.836 -4.982 9.341 1.00 2.21 H new ATOM 0 HG12 VAL A 61 15.640 -4.362 7.684 1.00 2.21 H new ATOM 0 HG13 VAL A 61 15.986 -3.238 9.020 1.00 2.21 H new ATOM 0 HG21 VAL A 61 14.081 -4.612 11.029 1.00 1.95 H new ATOM 0 HG22 VAL A 61 14.112 -2.848 10.799 1.00 1.95 H new ATOM 0 HG23 VAL A 61 12.587 -3.744 10.604 1.00 1.95 H new ATOM 734 N GLU A 62 15.083 -1.222 7.456 1.00 1.89 N ATOM 735 CA GLU A 62 15.905 -0.022 7.528 1.00 2.16 C ATOM 736 C GLU A 62 15.063 1.245 7.364 1.00 1.64 C ATOM 737 O GLU A 62 15.430 2.312 7.856 1.00 1.65 O ATOM 738 CB GLU A 62 16.984 -0.072 6.449 1.00 2.87 C ATOM 739 CG GLU A 62 17.895 -1.283 6.556 1.00 3.13 C ATOM 740 CD GLU A 62 18.660 -1.321 7.861 1.00 3.57 C ATOM 741 OE1 GLU A 62 18.144 -1.889 8.846 1.00 4.01 O ATOM 742 OE2 GLU A 62 19.788 -0.793 7.909 1.00 3.98 O ATOM 0 H GLU A 62 15.260 -1.799 6.634 1.00 1.89 H new ATOM 0 HA GLU A 62 16.371 0.011 8.513 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.507 -0.072 5.469 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.588 0.833 6.509 1.00 2.87 H new ATOM 0 HG2 GLU A 62 17.299 -2.191 6.462 1.00 3.13 H new ATOM 0 HG3 GLU A 62 18.601 -1.277 5.725 1.00 3.13 H new ATOM 749 N ASP A 63 13.931 1.126 6.679 1.00 1.38 N ATOM 750 CA ASP A 63 13.059 2.277 6.459 1.00 1.61 C ATOM 751 C ASP A 63 12.246 2.552 7.714 1.00 1.60 C ATOM 752 O ASP A 63 11.961 3.697 8.058 1.00 1.95 O ATOM 753 CB ASP A 63 12.127 2.039 5.275 1.00 1.89 C ATOM 754 CG ASP A 63 11.532 3.325 4.732 1.00 2.88 C ATOM 755 OD1 ASP A 63 10.531 3.805 5.292 1.00 3.62 O ATOM 756 OD2 ASP A 63 12.073 3.850 3.732 1.00 3.35 O ATOM 0 H ASP A 63 13.597 0.254 6.269 1.00 1.38 H new ATOM 0 HA ASP A 63 13.681 3.143 6.232 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.677 1.534 4.481 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.322 1.371 5.580 1.00 1.89 H new ATOM 761 N SER A 64 11.900 1.482 8.417 1.00 1.54 N ATOM 762 CA SER A 64 11.225 1.600 9.697 1.00 1.81 C ATOM 763 C SER A 64 12.142 2.304 10.694 1.00 1.74 C ATOM 764 O SER A 64 11.688 2.924 11.657 1.00 1.93 O ATOM 765 CB SER A 64 10.833 0.212 10.213 1.00 2.41 C ATOM 766 OG SER A 64 10.060 0.295 11.396 1.00 2.91 O ATOM 0 H SER A 64 12.077 0.522 8.120 1.00 1.54 H new ATOM 0 HA SER A 64 10.317 2.190 9.575 1.00 1.81 H new ATOM 0 HB2 SER A 64 10.268 -0.316 9.445 1.00 2.41 H new ATOM 0 HB3 SER A 64 11.733 -0.373 10.406 1.00 2.41 H new ATOM 0 HG SER A 64 9.826 -0.607 11.698 1.00 2.91 H new ATOM 772 N ASP A 65 13.440 2.209 10.434 1.00 1.69 N ATOM 773 CA ASP A 65 14.443 2.848 11.267 1.00 2.03 C ATOM 774 C ASP A 65 14.509 4.348 10.996 1.00 1.90 C ATOM 775 O ASP A 65 14.741 5.137 11.910 1.00 2.28 O ATOM 776 CB ASP A 65 15.812 2.212 11.030 1.00 2.26 C ATOM 777 CG ASP A 65 16.905 2.850 11.863 1.00 2.89 C ATOM 778 OD1 ASP A 65 17.086 2.446 13.030 1.00 3.35 O ATOM 779 OD2 ASP A 65 17.606 3.746 11.348 1.00 3.46 O ATOM 0 H ASP A 65 13.822 1.689 9.644 1.00 1.69 H new ATOM 0 HA ASP A 65 14.157 2.702 12.309 1.00 2.03 H new ATOM 0 HB2 ASP A 65 15.759 1.148 11.261 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.069 2.296 9.974 1.00 2.26 H new ATOM 784 N LEU A 66 14.302 4.751 9.742 1.00 1.52 N ATOM 785 CA LEU A 66 14.336 6.169 9.409 1.00 1.61 C ATOM 786 C LEU A 66 13.054 6.850 9.870 1.00 1.45 C ATOM 787 O LEU A 66 13.119 7.873 10.546 1.00 1.72 O ATOM 788 CB LEU A 66 14.614 6.410 7.905 1.00 1.77 C ATOM 789 CG LEU A 66 13.654 5.781 6.892 1.00 1.59 C ATOM 790 CD1 LEU A 66 12.508 6.725 6.560 1.00 1.87 C ATOM 791 CD2 LEU A 66 14.409 5.404 5.628 1.00 1.57 C ATOM 0 H LEU A 66 14.113 4.128 8.957 1.00 1.52 H new ATOM 0 HA LEU A 66 15.171 6.620 9.945 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.623 7.487 7.734 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.618 6.044 7.687 1.00 1.77 H new ATOM 0 HG LEU A 66 13.229 4.882 7.338 1.00 1.59 H new ATOM 0 HD11 LEU A 66 11.843 6.250 5.838 1.00 1.87 H new ATOM 0 HD12 LEU A 66 11.952 6.956 7.469 1.00 1.87 H new ATOM 0 HD13 LEU A 66 12.907 7.646 6.135 1.00 1.87 H new ATOM 0 HD21 LEU A 66 13.719 4.957 4.912 1.00 1.57 H new ATOM 0 HD22 LEU A 66 14.857 6.297 5.192 1.00 1.57 H new ATOM 0 HD23 LEU A 66 15.193 4.687 5.873 1.00 1.57 H new ATOM 803 N ALA A 67 11.909 6.239 9.543 1.00 1.30 N ATOM 804 CA ALA A 67 10.580 6.737 9.926 1.00 1.26 C ATOM 805 C ALA A 67 10.369 8.220 9.610 1.00 1.27 C ATOM 806 O ALA A 67 10.993 9.106 10.197 1.00 1.53 O ATOM 807 CB ALA A 67 10.301 6.475 11.391 1.00 1.48 C ATOM 0 H ALA A 67 11.877 5.376 9.000 1.00 1.30 H new ATOM 0 HA ALA A 67 9.870 6.180 9.315 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.311 6.854 11.646 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.340 5.403 11.583 1.00 1.48 H new ATOM 0 HB3 ALA A 67 11.051 6.980 12.000 1.00 1.48 H new ATOM 813 N LEU A 68 9.441 8.487 8.713 1.00 1.15 N ATOM 814 CA LEU A 68 9.131 9.858 8.326 1.00 1.28 C ATOM 815 C LEU A 68 8.491 10.605 9.493 1.00 1.55 C ATOM 816 O LEU A 68 7.938 9.971 10.397 1.00 1.55 O ATOM 817 CB LEU A 68 8.207 9.873 7.105 1.00 1.24 C ATOM 818 CG LEU A 68 8.840 9.368 5.807 1.00 1.18 C ATOM 819 CD1 LEU A 68 7.844 9.452 4.666 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.094 10.163 5.478 1.00 1.18 C ATOM 0 H LEU A 68 8.886 7.777 8.236 1.00 1.15 H new ATOM 0 HA LEU A 68 10.059 10.363 8.059 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.330 9.264 7.325 1.00 1.24 H new ATOM 0 HB3 LEU A 68 7.855 10.893 6.947 1.00 1.24 H new ATOM 0 HG LEU A 68 9.122 8.324 5.945 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.309 9.089 3.749 1.00 1.20 H new ATOM 0 HD12 LEU A 68 6.973 8.839 4.898 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.533 10.488 4.530 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.529 9.789 4.552 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.837 11.215 5.359 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.816 10.055 6.288 1.00 1.18 H new ATOM 832 N PRO A 69 8.583 11.953 9.506 1.00 1.93 N ATOM 833 CA PRO A 69 8.055 12.785 10.597 1.00 2.35 C ATOM 834 C PRO A 69 6.669 12.347 11.059 1.00 2.24 C ATOM 835 O PRO A 69 6.434 12.145 12.253 1.00 2.61 O ATOM 836 CB PRO A 69 7.998 14.175 9.970 1.00 2.74 C ATOM 837 CG PRO A 69 9.112 14.184 8.983 1.00 2.56 C ATOM 838 CD PRO A 69 9.223 12.777 8.457 1.00 2.06 C ATOM 0 HA PRO A 69 8.673 12.724 11.493 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.038 14.353 9.486 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.126 14.955 10.721 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.909 14.886 8.174 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.044 14.498 9.452 1.00 2.56 H new ATOM 0 HD2 PRO A 69 8.716 12.668 7.498 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.263 12.489 8.302 1.00 2.06 H new ATOM 846 N GLN A 70 5.765 12.181 10.106 1.00 1.83 N ATOM 847 CA GLN A 70 4.422 11.716 10.400 1.00 1.81 C ATOM 848 C GLN A 70 4.172 10.399 9.696 1.00 1.42 C ATOM 849 O GLN A 70 4.935 10.007 8.811 1.00 1.30 O ATOM 850 CB GLN A 70 3.379 12.737 9.949 1.00 1.92 C ATOM 851 CG GLN A 70 3.340 12.953 8.441 1.00 1.65 C ATOM 852 CD GLN A 70 2.327 14.005 8.026 1.00 2.17 C ATOM 853 OE1 GLN A 70 2.534 14.725 7.052 1.00 2.65 O ATOM 854 NE2 GLN A 70 1.220 14.100 8.747 1.00 2.75 N ATOM 0 H GLN A 70 5.940 12.363 9.118 1.00 1.83 H new ATOM 0 HA GLN A 70 4.335 11.583 11.478 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.395 12.410 10.285 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.582 13.690 10.438 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.330 13.251 8.095 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.101 12.010 7.949 1.00 1.65 H new ATOM 0 HE21 GLN A 70 1.080 13.486 9.550 1.00 2.75 H new ATOM 0 HE22 GLN A 70 0.508 14.787 8.499 1.00 2.75 H new ATOM 863 N THR A 71 3.107 9.723 10.079 1.00 1.36 N ATOM 864 CA THR A 71 2.728 8.494 9.426 1.00 1.13 C ATOM 865 C THR A 71 2.047 8.794 8.096 1.00 0.86 C ATOM 866 O THR A 71 1.277 9.748 7.966 1.00 0.83 O ATOM 867 CB THR A 71 1.803 7.653 10.323 1.00 1.23 C ATOM 868 OG1 THR A 71 0.774 8.481 10.884 1.00 1.53 O ATOM 869 CG2 THR A 71 2.593 6.988 11.440 1.00 1.55 C ATOM 0 H THR A 71 2.491 10.008 10.840 1.00 1.36 H new ATOM 0 HA THR A 71 3.632 7.915 9.238 1.00 1.13 H new ATOM 0 HB THR A 71 1.347 6.876 9.709 1.00 1.23 H new ATOM 0 HG1 THR A 71 0.189 7.937 11.452 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.919 6.399 12.062 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.353 6.336 11.010 1.00 1.55 H new ATOM 0 HG23 THR A 71 3.074 7.752 12.050 1.00 1.55 H new ATOM 877 N LEU A 72 2.357 7.968 7.112 1.00 0.80 N ATOM 878 CA LEU A 72 1.880 8.144 5.746 1.00 0.65 C ATOM 879 C LEU A 72 0.358 8.023 5.630 1.00 0.65 C ATOM 880 O LEU A 72 -0.239 8.773 4.871 1.00 0.66 O ATOM 881 CB LEU A 72 2.568 7.158 4.811 1.00 0.78 C ATOM 882 CG LEU A 72 4.047 7.434 4.510 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.248 8.887 4.117 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.928 7.070 5.698 1.00 1.79 C ATOM 0 H LEU A 72 2.952 7.149 7.237 1.00 0.80 H new ATOM 0 HA LEU A 72 2.138 9.161 5.449 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.486 6.161 5.243 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.023 7.142 3.867 1.00 0.78 H new ATOM 0 HG LEU A 72 4.343 6.805 3.671 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.303 9.065 3.907 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.659 9.108 3.227 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.927 9.533 4.934 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.970 7.276 5.455 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.633 7.662 6.564 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.812 6.010 5.926 1.00 1.79 H new ATOM 896 N PRO A 73 -0.299 7.072 6.341 1.00 0.75 N ATOM 897 CA PRO A 73 -1.768 7.017 6.406 1.00 0.84 C ATOM 898 C PRO A 73 -2.410 8.386 6.667 1.00 0.80 C ATOM 899 O PRO A 73 -3.481 8.687 6.143 1.00 0.82 O ATOM 900 CB PRO A 73 -2.031 6.076 7.577 1.00 1.03 C ATOM 901 CG PRO A 73 -0.855 5.161 7.604 1.00 1.07 C ATOM 902 CD PRO A 73 0.314 5.940 7.068 1.00 0.84 C ATOM 0 HA PRO A 73 -2.199 6.686 5.461 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.125 6.627 8.513 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.960 5.522 7.438 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.657 4.816 8.619 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -1.040 4.275 6.997 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.961 6.289 7.873 1.00 0.84 H new ATOM 0 HD3 PRO A 73 0.928 5.329 6.407 1.00 0.84 H new ATOM 910 N GLU A 74 -1.746 9.219 7.469 1.00 0.78 N ATOM 911 CA GLU A 74 -2.245 10.561 7.761 1.00 0.78 C ATOM 912 C GLU A 74 -2.128 11.447 6.522 1.00 0.64 C ATOM 913 O GLU A 74 -3.016 12.246 6.223 1.00 0.64 O ATOM 914 CB GLU A 74 -1.463 11.177 8.922 1.00 0.87 C ATOM 915 CG GLU A 74 -2.094 12.441 9.480 1.00 1.22 C ATOM 916 CD GLU A 74 -3.424 12.172 10.150 1.00 1.48 C ATOM 917 OE1 GLU A 74 -3.428 11.847 11.354 1.00 1.67 O ATOM 918 OE2 GLU A 74 -4.472 12.275 9.476 1.00 2.28 O ATOM 0 H GLU A 74 -0.864 8.988 7.926 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.295 10.488 8.045 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.377 10.441 9.721 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.451 11.404 8.587 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -1.413 12.897 10.199 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.235 13.161 8.673 1.00 1.22 H new ATOM 925 N ILE A 75 -1.027 11.294 5.797 1.00 0.58 N ATOM 926 CA ILE A 75 -0.834 12.004 4.539 1.00 0.53 C ATOM 927 C ILE A 75 -1.840 11.507 3.507 1.00 0.49 C ATOM 928 O ILE A 75 -2.352 12.273 2.695 1.00 0.53 O ATOM 929 CB ILE A 75 0.600 11.812 3.991 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.622 12.334 5.001 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.765 12.511 2.646 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.057 12.229 4.532 1.00 1.38 C ATOM 0 H ILE A 75 -0.253 10.684 6.059 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.987 13.066 4.729 1.00 0.53 H new ATOM 0 HB ILE A 75 0.773 10.747 3.838 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.398 13.377 5.223 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.513 11.779 5.933 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.781 12.362 2.281 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.057 12.094 1.930 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.575 13.578 2.765 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.721 12.619 5.303 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.301 11.185 4.338 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.184 12.808 3.617 1.00 1.38 H new ATOM 944 N PHE A 76 -2.139 10.220 3.569 1.00 0.50 N ATOM 945 CA PHE A 76 -3.083 9.606 2.649 1.00 0.56 C ATOM 946 C PHE A 76 -4.512 10.012 3.004 1.00 0.60 C ATOM 947 O PHE A 76 -5.436 9.869 2.204 1.00 0.72 O ATOM 948 CB PHE A 76 -2.937 8.080 2.669 1.00 0.65 C ATOM 949 CG PHE A 76 -1.549 7.590 2.343 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.636 8.407 1.690 1.00 2.12 C ATOM 951 CD2 PHE A 76 -1.157 6.310 2.694 1.00 2.34 C ATOM 952 CE1 PHE A 76 0.635 7.953 1.397 1.00 2.24 C ATOM 953 CE2 PHE A 76 0.111 5.853 2.401 1.00 2.34 C ATOM 954 CZ PHE A 76 1.009 6.675 1.751 1.00 2.36 C ATOM 0 H PHE A 76 -1.739 9.576 4.251 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.864 9.959 1.641 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -3.218 7.712 3.656 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.640 7.649 1.956 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.923 9.409 1.408 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -1.853 5.660 3.204 1.00 2.34 H new ATOM 0 HE1 PHE A 76 1.336 8.600 0.890 1.00 2.24 H new ATOM 0 HE2 PHE A 76 0.401 4.851 2.681 1.00 2.34 H new ATOM 0 HZ PHE A 76 2.002 6.318 1.521 1.00 2.36 H new ATOM 964 N GLU A 77 -4.678 10.516 4.213 1.00 0.63 N ATOM 965 CA GLU A 77 -5.956 11.036 4.665 1.00 0.73 C ATOM 966 C GLU A 77 -6.181 12.435 4.092 1.00 0.69 C ATOM 967 O GLU A 77 -7.276 12.772 3.640 1.00 0.80 O ATOM 968 CB GLU A 77 -5.975 11.066 6.196 1.00 0.90 C ATOM 969 CG GLU A 77 -7.278 11.550 6.802 1.00 1.56 C ATOM 970 CD GLU A 77 -8.457 10.663 6.458 1.00 1.94 C ATOM 971 OE1 GLU A 77 -8.561 9.557 7.028 1.00 2.52 O ATOM 972 OE2 GLU A 77 -9.290 11.072 5.624 1.00 2.41 O ATOM 0 H GLU A 77 -3.934 10.577 4.908 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.762 10.391 4.314 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.767 10.063 6.569 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -5.167 11.709 6.544 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.172 11.600 7.886 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -7.479 12.563 6.455 1.00 1.56 H new ATOM 979 N ALA A 78 -5.126 13.235 4.086 1.00 0.61 N ATOM 980 CA ALA A 78 -5.217 14.616 3.633 1.00 0.62 C ATOM 981 C ALA A 78 -5.043 14.740 2.121 1.00 0.60 C ATOM 982 O ALA A 78 -5.849 15.381 1.450 1.00 0.65 O ATOM 983 CB ALA A 78 -4.184 15.467 4.352 1.00 0.64 C ATOM 0 H ALA A 78 -4.195 12.952 4.390 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.218 14.975 3.874 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.259 16.498 4.007 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.365 15.429 5.426 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.186 15.085 4.139 1.00 0.64 H new ATOM 989 N ALA A 79 -3.995 14.130 1.586 1.00 0.65 N ATOM 990 CA ALA A 79 -3.654 14.290 0.177 1.00 0.75 C ATOM 991 C ALA A 79 -4.299 13.220 -0.700 1.00 0.86 C ATOM 992 O ALA A 79 -4.936 13.538 -1.701 1.00 0.99 O ATOM 993 CB ALA A 79 -2.144 14.272 -0.006 1.00 0.83 C ATOM 0 H ALA A 79 -3.365 13.519 2.106 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.049 15.255 -0.141 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.904 14.392 -1.062 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.699 15.089 0.563 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.746 13.322 0.351 1.00 0.83 H new ATOM 999 N ALA A 80 -4.152 11.958 -0.307 1.00 0.91 N ATOM 1000 CA ALA A 80 -4.583 10.829 -1.143 1.00 1.12 C ATOM 1001 C ALA A 80 -6.101 10.754 -1.302 1.00 1.27 C ATOM 1002 O ALA A 80 -6.608 9.925 -2.054 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.058 9.518 -0.583 1.00 1.25 C ATOM 0 H ALA A 80 -3.738 11.686 0.585 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.162 11.000 -2.134 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.388 8.694 -1.216 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -2.969 9.543 -0.558 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -4.440 9.375 0.428 1.00 1.25 H new ATOM 1009 N THR A 81 -6.826 11.607 -0.592 1.00 1.23 N ATOM 1010 CA THR A 81 -8.275 11.660 -0.719 1.00 1.46 C ATOM 1011 C THR A 81 -8.691 12.202 -2.087 1.00 1.63 C ATOM 1012 O THR A 81 -9.813 11.975 -2.541 1.00 1.89 O ATOM 1013 CB THR A 81 -8.889 12.530 0.389 1.00 1.60 C ATOM 1014 OG1 THR A 81 -7.892 13.418 0.912 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.452 11.670 1.509 1.00 1.65 C ATOM 0 H THR A 81 -6.435 12.271 0.077 1.00 1.23 H new ATOM 0 HA THR A 81 -8.648 10.641 -0.619 1.00 1.46 H new ATOM 0 HB THR A 81 -9.707 13.109 -0.040 1.00 1.60 H new ATOM 0 HG1 THR A 81 -7.687 13.171 1.838 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.880 12.311 2.280 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.226 11.015 1.110 1.00 1.65 H new ATOM 0 HG23 THR A 81 -8.653 11.067 1.941 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.776 12.907 -2.741 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.048 13.456 -4.055 1.00 2.14 C ATOM 1025 C GLY A 82 -6.810 14.084 -4.656 1.00 2.00 C ATOM 1026 O GLY A 82 -5.694 13.700 -4.317 1.00 2.59 O ATOM 0 H GLY A 82 -6.843 13.109 -2.381 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.414 12.667 -4.712 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -8.839 14.203 -3.983 1.00 2.14 H new ATOM 1030 N LYS A 83 -6.990 15.042 -5.549 1.00 1.89 N ATOM 1031 CA LYS A 83 -5.858 15.763 -6.106 1.00 2.11 C ATOM 1032 C LYS A 83 -5.823 17.179 -5.547 1.00 2.84 C ATOM 1033 O LYS A 83 -5.132 17.401 -4.532 1.00 3.20 O ATOM 1034 CB LYS A 83 -5.909 15.787 -7.635 1.00 2.31 C ATOM 1035 CG LYS A 83 -4.753 16.554 -8.260 1.00 2.78 C ATOM 1036 CD LYS A 83 -4.790 16.505 -9.777 1.00 3.44 C ATOM 1037 CE LYS A 83 -3.704 17.380 -10.388 1.00 3.93 C ATOM 1038 NZ LYS A 83 -2.340 16.970 -9.955 1.00 4.41 N ATOM 1039 OXT LYS A 83 -6.504 18.061 -6.107 1.00 3.62 O ATOM 0 H LYS A 83 -7.901 15.337 -5.902 1.00 1.89 H new ATOM 0 HA LYS A 83 -4.944 15.243 -5.818 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.902 14.763 -8.009 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -6.850 16.236 -7.954 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -4.787 17.592 -7.930 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -3.809 16.138 -7.907 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -4.662 15.476 -10.112 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -5.767 16.836 -10.129 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -3.768 17.330 -11.475 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -3.876 18.419 -10.106 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -1.629 17.489 -10.509 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -2.217 17.185 -8.945 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -2.220 15.948 -10.108 1.00 4.41 H new ATOM 1054 N MET B 15 -16.668 8.794 2.979 1.00 2.24 N ATOM 1055 CA MET B 15 -15.862 8.425 1.793 1.00 1.67 C ATOM 1056 C MET B 15 -14.583 7.727 2.222 1.00 1.40 C ATOM 1057 O MET B 15 -13.702 8.341 2.825 1.00 1.55 O ATOM 1058 CB MET B 15 -15.524 9.660 0.948 1.00 1.81 C ATOM 1059 CG MET B 15 -16.712 10.236 0.191 1.00 2.21 C ATOM 1060 SD MET B 15 -17.952 10.981 1.272 1.00 3.03 S ATOM 1061 CE MET B 15 -17.053 12.402 1.891 1.00 3.68 C ATOM 0 HA MET B 15 -16.455 7.744 1.183 1.00 1.67 H new ATOM 0 HB2 MET B 15 -15.112 10.431 1.599 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.744 9.396 0.234 1.00 1.81 H new ATOM 0 HG2 MET B 15 -16.356 10.987 -0.514 1.00 2.21 H new ATOM 0 HG3 MET B 15 -17.179 9.445 -0.395 1.00 2.21 H new ATOM 0 HE1 MET B 15 -17.757 13.133 2.288 1.00 3.68 H new ATOM 0 HE2 MET B 15 -16.373 12.086 2.682 1.00 3.68 H new ATOM 0 HE3 MET B 15 -16.481 12.852 1.080 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.489 6.443 1.917 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.334 5.644 2.300 1.00 1.13 C ATOM 1075 C ASP B 16 -12.131 5.977 1.432 1.00 0.91 C ATOM 1076 O ASP B 16 -12.049 5.559 0.280 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.646 4.149 2.192 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.588 3.661 3.271 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -15.821 3.800 3.102 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -14.102 3.121 4.283 1.00 2.27 O ATOM 0 H ASP B 16 -15.203 5.928 1.402 1.00 1.24 H new ATOM 0 HA ASP B 16 -13.098 5.883 3.337 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.085 3.945 1.215 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.715 3.584 2.248 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.197 6.726 1.992 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.965 7.063 1.285 1.00 0.75 C ATOM 1087 C ASN B 17 -9.045 5.854 1.219 1.00 0.62 C ATOM 1088 O ASN B 17 -8.138 5.793 0.395 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.228 8.210 1.982 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.695 7.824 3.354 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -9.317 7.059 4.090 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.519 8.325 3.694 1.00 1.71 N ATOM 0 H ASN B 17 -11.264 7.114 2.933 1.00 0.78 H new ATOM 0 HA ASN B 17 -10.238 7.374 0.277 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.399 8.537 1.354 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.903 9.059 2.086 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -7.100 8.080 4.591 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -7.031 8.957 3.059 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.299 4.892 2.091 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.428 3.739 2.247 1.00 0.62 C ATOM 1101 C LYS B 18 -8.507 2.790 1.054 1.00 0.54 C ATOM 1102 O LYS B 18 -7.568 2.046 0.803 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.762 3.024 3.554 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.320 3.815 4.776 1.00 1.09 C ATOM 1105 CD LYS B 18 -9.189 3.534 5.990 1.00 1.04 C ATOM 1106 CE LYS B 18 -9.134 2.075 6.409 1.00 1.43 C ATOM 1107 NZ LYS B 18 -9.997 1.815 7.591 1.00 1.89 N ATOM 0 H LYS B 18 -10.111 4.888 2.708 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.397 4.091 2.286 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.837 2.851 3.606 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.280 2.046 3.564 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -7.284 3.570 5.009 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -8.352 4.880 4.548 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -8.864 4.161 6.820 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -10.220 3.808 5.768 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -9.453 1.445 5.579 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -8.105 1.800 6.641 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -9.936 0.810 7.851 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -9.677 2.399 8.390 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -10.983 2.054 7.361 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.612 2.815 0.317 1.00 0.61 N ATOM 1122 CA LYS B 19 -9.713 2.028 -0.914 1.00 0.61 C ATOM 1123 C LYS B 19 -9.149 2.804 -2.095 1.00 0.53 C ATOM 1124 O LYS B 19 -8.775 2.216 -3.099 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.151 1.585 -1.192 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.177 2.676 -0.925 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.606 2.170 -1.020 1.00 1.20 C ATOM 1128 CE LYS B 19 -13.993 1.819 -2.442 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.443 1.525 -2.561 1.00 1.49 N ATOM 0 H LYS B 19 -10.442 3.363 0.543 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.118 1.126 -0.774 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.232 1.266 -2.231 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.383 0.718 -0.574 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.008 3.093 0.068 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.034 3.487 -1.640 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.722 1.291 -0.386 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.286 2.931 -0.637 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.734 2.645 -3.104 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.418 0.954 -2.772 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.582 0.720 -3.204 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.828 1.290 -1.624 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.937 2.359 -2.938 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.072 4.119 -1.965 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.401 4.938 -2.969 1.00 0.59 C ATOM 1145 C ARG B 20 -6.893 4.791 -2.785 1.00 0.55 C ATOM 1146 O ARG B 20 -6.127 4.702 -3.744 1.00 0.61 O ATOM 1147 CB ARG B 20 -8.827 6.398 -2.831 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.319 6.589 -3.017 1.00 0.82 C ATOM 1149 CD ARG B 20 -10.759 8.006 -2.694 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.210 8.153 -2.799 1.00 1.31 N ATOM 1151 CZ ARG B 20 -12.851 9.319 -2.784 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.174 10.457 -2.694 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.176 9.348 -2.869 1.00 2.34 N ATOM 0 H ARG B 20 -9.462 4.642 -1.181 1.00 0.55 H new ATOM 0 HA ARG B 20 -8.678 4.606 -3.969 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -8.537 6.766 -1.847 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.293 7.000 -3.566 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -10.589 6.352 -4.046 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -10.856 5.889 -2.377 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.438 8.267 -1.686 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.271 8.704 -3.375 1.00 1.01 H new ATOM 0 HE ARG B 20 -12.769 7.304 -2.890 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.156 10.441 -2.636 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.672 11.347 -2.683 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -14.701 8.477 -2.946 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.668 10.241 -2.858 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.492 4.761 -1.520 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.142 4.388 -1.128 1.00 0.58 C ATOM 1169 C LEU B 21 -4.861 2.959 -1.579 1.00 0.57 C ATOM 1170 O LEU B 21 -3.792 2.646 -2.097 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.019 4.525 0.397 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.904 3.727 1.084 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.548 4.026 0.455 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.880 4.065 2.562 1.00 0.61 C ATOM 0 H LEU B 21 -7.099 4.996 -0.735 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.409 5.042 -1.600 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.873 5.580 0.631 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.969 4.229 0.841 1.00 0.64 H new ATOM 0 HG LEU B 21 -4.106 2.664 0.955 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.776 3.447 0.962 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.569 3.757 -0.601 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.327 5.089 0.554 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -3.088 3.499 3.052 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.695 5.132 2.688 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.840 3.808 3.010 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.848 2.106 -1.382 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.788 0.731 -1.832 1.00 0.63 C ATOM 1188 C ALA B 22 -5.602 0.662 -3.344 1.00 0.51 C ATOM 1189 O ALA B 22 -4.767 -0.093 -3.847 1.00 0.44 O ATOM 1190 CB ALA B 22 -7.064 0.026 -1.431 1.00 0.83 C ATOM 0 H ALA B 22 -6.716 2.349 -0.904 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.933 0.240 -1.367 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -7.028 -1.011 -1.766 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -7.169 0.053 -0.346 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.916 0.526 -1.891 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.393 1.465 -4.050 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.331 1.562 -5.503 1.00 0.75 C ATOM 1198 C TYR B 23 -4.902 1.821 -5.954 1.00 0.66 C ATOM 1199 O TYR B 23 -4.428 1.232 -6.921 1.00 0.66 O ATOM 1200 CB TYR B 23 -7.257 2.687 -5.981 1.00 1.10 C ATOM 1201 CG TYR B 23 -7.286 2.889 -7.479 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -7.941 1.990 -8.308 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -6.673 3.993 -8.061 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -7.980 2.181 -9.676 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -6.708 4.189 -9.429 1.00 1.83 C ATOM 1206 CZ TYR B 23 -7.364 3.281 -10.231 1.00 2.22 C ATOM 1207 OH TYR B 23 -7.401 3.471 -11.593 1.00 2.99 O ATOM 0 H TYR B 23 -7.098 2.069 -3.627 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.661 0.620 -5.940 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.270 2.476 -5.637 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -6.947 3.619 -5.508 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.428 1.127 -7.878 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -6.161 4.709 -7.434 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -8.492 1.470 -10.308 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -6.224 5.049 -9.867 1.00 1.83 H new ATOM 0 HH TYR B 23 -6.920 4.294 -11.822 1.00 2.99 H new ATOM 1217 N ALA B 24 -4.224 2.693 -5.223 1.00 0.72 N ATOM 1218 CA ALA B 24 -2.828 3.011 -5.478 1.00 0.87 C ATOM 1219 C ALA B 24 -1.961 1.768 -5.476 1.00 0.75 C ATOM 1220 O ALA B 24 -1.126 1.569 -6.359 1.00 0.84 O ATOM 1221 CB ALA B 24 -2.320 3.948 -4.405 1.00 1.14 C ATOM 0 H ALA B 24 -4.627 3.200 -4.435 1.00 0.72 H new ATOM 0 HA ALA B 24 -2.770 3.477 -6.462 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -1.274 4.187 -4.596 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -2.909 4.865 -4.414 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -2.411 3.468 -3.430 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.187 0.937 -4.479 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.323 -0.191 -4.202 1.00 0.71 C ATOM 1229 C ILE B 25 -1.553 -1.315 -5.204 1.00 0.61 C ATOM 1230 O ILE B 25 -0.597 -1.877 -5.734 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.521 -0.699 -2.758 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.405 0.481 -1.781 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.487 -1.769 -2.431 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.780 0.153 -0.350 1.00 0.89 C ATOM 0 H ILE B 25 -2.975 1.025 -3.838 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.292 0.148 -4.304 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.512 -1.142 -2.663 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.380 0.851 -1.799 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.043 1.292 -2.133 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.637 -2.120 -1.410 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.598 -2.605 -3.122 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.514 -1.349 -2.527 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.669 1.044 0.269 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -2.815 -0.187 -0.314 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -1.126 -0.634 0.026 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.812 -1.632 -5.488 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.107 -2.633 -6.505 1.00 0.53 C ATOM 1248 C ILE B 26 -2.641 -2.148 -7.875 1.00 0.51 C ATOM 1249 O ILE B 26 -1.967 -2.874 -8.591 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.610 -3.016 -6.564 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.000 -3.830 -5.321 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.920 -3.799 -7.838 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.337 -4.548 -5.440 1.00 0.78 C ATOM 0 H ILE B 26 -3.629 -1.219 -5.038 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.560 -3.533 -6.223 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.199 -2.099 -6.579 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.221 -4.566 -5.124 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -5.034 -3.163 -4.460 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.979 -4.057 -7.858 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.679 -3.188 -8.708 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.324 -4.711 -7.858 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.537 -5.099 -4.521 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.129 -3.817 -5.605 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.304 -5.243 -6.279 1.00 0.78 H new ATOM 1265 N GLN B 27 -2.966 -0.904 -8.209 1.00 0.54 N ATOM 1266 CA GLN B 27 -2.648 -0.343 -9.524 1.00 0.62 C ATOM 1267 C GLN B 27 -1.149 -0.308 -9.807 1.00 0.55 C ATOM 1268 O GLN B 27 -0.665 -0.992 -10.709 1.00 0.57 O ATOM 1269 CB GLN B 27 -3.221 1.067 -9.645 1.00 0.79 C ATOM 1270 CG GLN B 27 -4.678 1.087 -10.066 1.00 0.89 C ATOM 1271 CD GLN B 27 -4.893 0.472 -11.433 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -4.017 0.522 -12.295 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.057 -0.117 -11.639 1.00 1.34 N ATOM 0 H GLN B 27 -3.452 -0.259 -7.586 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.104 -1.001 -10.264 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.120 1.577 -8.687 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -2.633 1.630 -10.369 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.273 0.547 -9.330 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.037 2.116 -10.073 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -6.757 -0.137 -10.897 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.256 -0.552 -12.540 1.00 1.34 H new ATOM 1282 N PHE B 28 -0.422 0.488 -9.032 1.00 0.52 N ATOM 1283 CA PHE B 28 1.004 0.706 -9.264 1.00 0.51 C ATOM 1284 C PHE B 28 1.772 -0.599 -9.225 1.00 0.43 C ATOM 1285 O PHE B 28 2.534 -0.915 -10.139 1.00 0.42 O ATOM 1286 CB PHE B 28 1.554 1.667 -8.215 1.00 0.60 C ATOM 1287 CG PHE B 28 3.045 1.855 -8.256 1.00 0.90 C ATOM 1288 CD1 PHE B 28 3.676 2.305 -9.404 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.811 1.590 -7.133 1.00 1.62 C ATOM 1290 CE1 PHE B 28 5.046 2.483 -9.431 1.00 1.98 C ATOM 1291 CE2 PHE B 28 5.179 1.764 -7.153 1.00 1.96 C ATOM 1292 CZ PHE B 28 5.799 2.210 -8.304 1.00 1.83 C ATOM 0 H PHE B 28 -0.798 0.997 -8.232 1.00 0.52 H new ATOM 0 HA PHE B 28 1.127 1.139 -10.257 1.00 0.51 H new ATOM 0 HB2 PHE B 28 1.075 2.638 -8.345 1.00 0.60 H new ATOM 0 HB3 PHE B 28 1.274 1.303 -7.226 1.00 0.60 H new ATOM 0 HD1 PHE B 28 3.091 2.519 -10.287 1.00 1.60 H new ATOM 0 HD2 PHE B 28 3.331 1.243 -6.230 1.00 1.62 H new ATOM 0 HE1 PHE B 28 5.528 2.835 -10.331 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.764 1.552 -6.271 1.00 1.96 H new ATOM 0 HZ PHE B 28 6.870 2.345 -8.324 1.00 1.83 H new ATOM 1302 N LEU B 29 1.567 -1.351 -8.161 1.00 0.45 N ATOM 1303 CA LEU B 29 2.229 -2.640 -8.003 1.00 0.45 C ATOM 1304 C LEU B 29 1.853 -3.611 -9.125 1.00 0.45 C ATOM 1305 O LEU B 29 2.658 -4.458 -9.498 1.00 0.48 O ATOM 1306 CB LEU B 29 1.919 -3.257 -6.636 1.00 0.53 C ATOM 1307 CG LEU B 29 2.771 -2.739 -5.466 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.545 -1.252 -5.218 1.00 0.57 C ATOM 1309 CD2 LEU B 29 2.468 -3.534 -4.210 1.00 0.70 C ATOM 0 H LEU B 29 0.948 -1.096 -7.391 1.00 0.45 H new ATOM 0 HA LEU B 29 3.302 -2.458 -8.064 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.869 -3.077 -6.405 1.00 0.53 H new ATOM 0 HB3 LEU B 29 2.049 -4.337 -6.707 1.00 0.53 H new ATOM 0 HG LEU B 29 3.819 -2.872 -5.733 1.00 0.59 H new ATOM 0 HD11 LEU B 29 3.165 -0.924 -4.384 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.813 -0.689 -6.112 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.495 -1.078 -4.981 1.00 0.57 H new ATOM 0 HD21 LEU B 29 3.076 -3.160 -3.387 1.00 0.70 H new ATOM 0 HD22 LEU B 29 1.413 -3.429 -3.958 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.697 -4.586 -4.381 1.00 0.70 H new ATOM 1321 N HIS B 30 0.645 -3.478 -9.672 1.00 0.47 N ATOM 1322 CA HIS B 30 0.209 -4.330 -10.783 1.00 0.53 C ATOM 1323 C HIS B 30 0.930 -3.944 -12.071 1.00 0.48 C ATOM 1324 O HIS B 30 1.359 -4.808 -12.834 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.309 -4.232 -10.982 1.00 0.67 C ATOM 1326 CG HIS B 30 -1.858 -5.156 -12.024 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.520 -4.712 -13.148 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -1.865 -6.508 -12.095 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.910 -5.748 -13.865 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.525 -6.849 -13.248 1.00 1.41 N ATOM 0 H HIS B 30 -0.047 -2.793 -9.368 1.00 0.47 H new ATOM 0 HA HIS B 30 0.461 -5.361 -10.535 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -1.802 -4.441 -10.033 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.562 -3.207 -11.253 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -1.432 -7.190 -11.378 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.452 -5.703 -14.798 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -2.691 -7.800 -13.576 1.00 1.41 H new ATOM 1339 N ASP B 31 1.060 -2.644 -12.313 1.00 0.48 N ATOM 1340 CA ASP B 31 1.791 -2.160 -13.480 1.00 0.52 C ATOM 1341 C ASP B 31 3.264 -2.507 -13.361 1.00 0.45 C ATOM 1342 O ASP B 31 3.881 -2.974 -14.319 1.00 0.50 O ATOM 1343 CB ASP B 31 1.618 -0.651 -13.659 1.00 0.63 C ATOM 1344 CG ASP B 31 0.359 -0.302 -14.425 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -0.700 -0.136 -13.794 1.00 1.98 O ATOM 1346 OD2 ASP B 31 0.428 -0.187 -15.669 1.00 1.79 O ATOM 0 H ASP B 31 0.672 -1.910 -11.721 1.00 0.48 H new ATOM 0 HA ASP B 31 1.379 -2.653 -14.360 1.00 0.52 H new ATOM 0 HB2 ASP B 31 1.589 -0.173 -12.680 1.00 0.63 H new ATOM 0 HB3 ASP B 31 2.484 -0.248 -14.185 1.00 0.63 H new ATOM 1351 N GLN B 32 3.820 -2.292 -12.177 1.00 0.42 N ATOM 1352 CA GLN B 32 5.195 -2.677 -11.890 1.00 0.44 C ATOM 1353 C GLN B 32 5.368 -4.179 -12.085 1.00 0.38 C ATOM 1354 O GLN B 32 6.396 -4.641 -12.578 1.00 0.43 O ATOM 1355 CB GLN B 32 5.567 -2.260 -10.456 1.00 0.52 C ATOM 1356 CG GLN B 32 6.931 -2.757 -9.981 1.00 0.57 C ATOM 1357 CD GLN B 32 6.905 -4.182 -9.445 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.876 -4.926 -9.583 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.802 -4.569 -8.817 1.00 1.31 N ATOM 0 H GLN B 32 3.337 -1.850 -11.395 1.00 0.42 H new ATOM 0 HA GLN B 32 5.865 -2.165 -12.581 1.00 0.44 H new ATOM 0 HB2 GLN B 32 5.549 -1.172 -10.392 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.802 -2.632 -9.774 1.00 0.52 H new ATOM 0 HG2 GLN B 32 7.638 -2.702 -10.809 1.00 0.57 H new ATOM 0 HG3 GLN B 32 7.300 -2.091 -9.201 1.00 0.57 H new ATOM 0 HE21 GLN B 32 5.017 -3.925 -8.722 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.739 -5.510 -8.430 1.00 1.31 H new ATOM 1368 N LEU B 33 4.339 -4.926 -11.713 1.00 0.37 N ATOM 1369 CA LEU B 33 4.352 -6.379 -11.801 1.00 0.42 C ATOM 1370 C LEU B 33 4.543 -6.829 -13.243 1.00 0.46 C ATOM 1371 O LEU B 33 5.261 -7.788 -13.514 1.00 0.53 O ATOM 1372 CB LEU B 33 3.038 -6.937 -11.244 1.00 0.53 C ATOM 1373 CG LEU B 33 3.162 -8.154 -10.329 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.649 -9.366 -11.103 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.090 -7.843 -9.164 1.00 0.83 C ATOM 0 H LEU B 33 3.470 -4.542 -11.341 1.00 0.37 H new ATOM 0 HA LEU B 33 5.186 -6.760 -11.212 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.534 -6.143 -10.693 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.394 -7.202 -12.083 1.00 0.53 H new ATOM 0 HG LEU B 33 2.175 -8.390 -9.930 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.729 -10.219 -10.430 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.942 -9.597 -11.900 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.626 -9.153 -11.536 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.170 -8.718 -8.519 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.077 -7.581 -9.545 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.688 -7.006 -8.592 1.00 0.83 H new ATOM 1387 N ARG B 34 3.913 -6.120 -14.168 1.00 0.47 N ATOM 1388 CA ARG B 34 3.989 -6.482 -15.574 1.00 0.59 C ATOM 1389 C ARG B 34 5.262 -5.930 -16.216 1.00 0.58 C ATOM 1390 O ARG B 34 5.625 -6.317 -17.326 1.00 0.69 O ATOM 1391 CB ARG B 34 2.753 -5.971 -16.323 1.00 0.70 C ATOM 1392 CG ARG B 34 2.548 -6.628 -17.681 1.00 1.41 C ATOM 1393 CD ARG B 34 2.336 -8.128 -17.539 1.00 1.46 C ATOM 1394 NE ARG B 34 2.184 -8.796 -18.827 1.00 2.18 N ATOM 1395 CZ ARG B 34 2.095 -10.118 -18.969 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.145 -10.909 -17.902 1.00 2.19 N ATOM 1397 NH2 ARG B 34 1.963 -10.649 -20.177 1.00 3.50 N ATOM 0 H ARG B 34 3.346 -5.295 -13.971 1.00 0.47 H new ATOM 0 HA ARG B 34 4.019 -7.569 -15.642 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.869 -6.143 -15.708 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.841 -4.893 -16.460 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.687 -6.182 -18.178 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.415 -6.439 -18.314 1.00 1.41 H new ATOM 0 HD2 ARG B 34 3.182 -8.562 -17.006 1.00 1.46 H new ATOM 0 HD3 ARG B 34 1.449 -8.310 -16.932 1.00 1.46 H new ATOM 0 HE ARG B 34 2.144 -8.218 -19.667 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.252 -10.504 -16.972 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.077 -11.921 -18.013 1.00 2.19 H new ATOM 0 HH21 ARG B 34 1.930 -10.045 -20.999 1.00 3.50 H new ATOM 0 HH22 ARG B 34 1.895 -11.661 -20.285 1.00 3.50 H new ATOM 1411 N HIS B 35 5.940 -5.028 -15.515 1.00 0.53 N ATOM 1412 CA HIS B 35 7.169 -4.434 -16.034 1.00 0.59 C ATOM 1413 C HIS B 35 8.406 -5.126 -15.474 1.00 0.58 C ATOM 1414 O HIS B 35 9.449 -5.167 -16.121 1.00 0.74 O ATOM 1415 CB HIS B 35 7.231 -2.936 -15.726 1.00 0.59 C ATOM 1416 CG HIS B 35 6.388 -2.095 -16.634 1.00 1.17 C ATOM 1417 ND1 HIS B 35 5.091 -1.738 -16.342 1.00 1.99 N ATOM 1418 CD2 HIS B 35 6.669 -1.529 -17.832 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.611 -0.991 -17.315 1.00 2.69 C ATOM 1420 NE2 HIS B 35 5.547 -0.849 -18.231 1.00 2.43 N ATOM 0 H HIS B 35 5.663 -4.693 -14.592 1.00 0.53 H new ATOM 0 HA HIS B 35 7.157 -4.572 -17.115 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.913 -2.773 -14.696 1.00 0.59 H new ATOM 0 HB3 HIS B 35 8.267 -2.603 -15.796 1.00 0.59 H new ATOM 0 HD1 HIS B 35 4.580 -2.010 -15.502 1.00 1.99 H new ATOM 0 HD2 HIS B 35 7.602 -1.600 -18.372 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.619 -0.567 -17.355 1.00 2.69 H new ATOM 1429 N GLY B 36 8.282 -5.665 -14.269 1.00 0.49 N ATOM 1430 CA GLY B 36 9.392 -6.361 -13.652 1.00 0.51 C ATOM 1431 C GLY B 36 10.299 -5.423 -12.890 1.00 0.47 C ATOM 1432 O GLY B 36 11.522 -5.540 -12.959 1.00 0.53 O ATOM 0 H GLY B 36 7.431 -5.632 -13.707 1.00 0.49 H new ATOM 0 HA2 GLY B 36 9.009 -7.124 -12.974 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.968 -6.877 -14.420 1.00 0.51 H new ATOM 1436 N GLY B 37 9.694 -4.496 -12.158 1.00 0.41 N ATOM 1437 CA GLY B 37 10.455 -3.481 -11.455 1.00 0.40 C ATOM 1438 C GLY B 37 11.300 -4.039 -10.328 1.00 0.39 C ATOM 1439 O GLY B 37 12.476 -3.697 -10.200 1.00 0.53 O ATOM 0 H GLY B 37 8.683 -4.429 -12.038 1.00 0.41 H new ATOM 0 HA2 GLY B 37 11.102 -2.966 -12.164 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.769 -2.737 -11.051 1.00 0.40 H new ATOM 1443 N LEU B 38 10.712 -4.898 -9.506 1.00 0.36 N ATOM 1444 CA LEU B 38 11.417 -5.444 -8.352 1.00 0.41 C ATOM 1445 C LEU B 38 12.180 -6.722 -8.705 1.00 0.49 C ATOM 1446 O LEU B 38 13.259 -6.664 -9.295 1.00 0.83 O ATOM 1447 CB LEU B 38 10.453 -5.701 -7.185 1.00 0.44 C ATOM 1448 CG LEU B 38 10.092 -4.470 -6.332 1.00 0.44 C ATOM 1449 CD1 LEU B 38 11.338 -3.870 -5.699 1.00 0.51 C ATOM 1450 CD2 LEU B 38 9.361 -3.415 -7.148 1.00 0.47 C ATOM 0 H LEU B 38 9.754 -5.231 -9.615 1.00 0.36 H new ATOM 0 HA LEU B 38 12.146 -4.696 -8.040 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.532 -6.125 -7.585 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.894 -6.455 -6.533 1.00 0.44 H new ATOM 0 HG LEU B 38 9.421 -4.809 -5.543 1.00 0.44 H new ATOM 0 HD11 LEU B 38 11.060 -3.002 -5.101 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.815 -4.613 -5.060 1.00 0.51 H new ATOM 0 HD13 LEU B 38 12.033 -3.564 -6.482 1.00 0.51 H new ATOM 0 HD21 LEU B 38 9.124 -2.563 -6.511 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.996 -3.087 -7.971 1.00 0.47 H new ATOM 0 HD23 LEU B 38 8.439 -3.838 -7.547 1.00 0.47 H new ATOM 1462 N SER B 39 11.622 -7.871 -8.349 1.00 0.47 N ATOM 1463 CA SER B 39 12.287 -9.145 -8.578 1.00 0.54 C ATOM 1464 C SER B 39 11.279 -10.199 -9.030 1.00 0.48 C ATOM 1465 O SER B 39 10.073 -10.002 -8.876 1.00 0.45 O ATOM 1466 CB SER B 39 13.013 -9.592 -7.305 1.00 0.67 C ATOM 1467 OG SER B 39 13.821 -10.733 -7.541 1.00 1.42 O ATOM 0 H SER B 39 10.709 -7.946 -7.900 1.00 0.47 H new ATOM 0 HA SER B 39 13.024 -9.023 -9.371 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.633 -8.776 -6.933 1.00 0.67 H new ATOM 0 HB3 SER B 39 12.282 -9.817 -6.528 1.00 0.67 H new ATOM 0 HG SER B 39 14.272 -10.992 -6.710 1.00 1.42 H new ATOM 1473 N SER B 40 11.766 -11.310 -9.567 1.00 0.59 N ATOM 1474 CA SER B 40 10.900 -12.336 -10.143 1.00 0.61 C ATOM 1475 C SER B 40 9.937 -12.927 -9.110 1.00 0.53 C ATOM 1476 O SER B 40 8.719 -12.876 -9.290 1.00 0.49 O ATOM 1477 CB SER B 40 11.752 -13.435 -10.766 1.00 0.77 C ATOM 1478 OG SER B 40 12.620 -12.898 -11.751 1.00 1.63 O ATOM 0 H SER B 40 12.762 -11.526 -9.617 1.00 0.59 H new ATOM 0 HA SER B 40 10.290 -11.864 -10.913 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.336 -13.932 -9.992 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.108 -14.191 -11.215 1.00 0.77 H new ATOM 0 HG SER B 40 13.160 -13.618 -12.139 1.00 1.63 H new ATOM 1484 N ASP B 41 10.480 -13.472 -8.025 1.00 0.57 N ATOM 1485 CA ASP B 41 9.653 -14.082 -6.984 1.00 0.58 C ATOM 1486 C ASP B 41 8.782 -13.028 -6.312 1.00 0.53 C ATOM 1487 O ASP B 41 7.643 -13.296 -5.925 1.00 0.55 O ATOM 1488 CB ASP B 41 10.526 -14.789 -5.946 1.00 0.71 C ATOM 1489 CG ASP B 41 9.709 -15.492 -4.879 1.00 1.26 C ATOM 1490 OD1 ASP B 41 9.091 -16.533 -5.186 1.00 2.21 O ATOM 1491 OD2 ASP B 41 9.692 -15.012 -3.728 1.00 1.69 O ATOM 0 H ASP B 41 11.483 -13.505 -7.843 1.00 0.57 H new ATOM 0 HA ASP B 41 9.006 -14.824 -7.452 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.164 -15.516 -6.448 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.184 -14.060 -5.473 1.00 0.71 H new ATOM 1496 N ALA B 42 9.327 -11.824 -6.193 1.00 0.51 N ATOM 1497 CA ALA B 42 8.591 -10.688 -5.656 1.00 0.50 C ATOM 1498 C ALA B 42 7.341 -10.415 -6.481 1.00 0.47 C ATOM 1499 O ALA B 42 6.284 -10.104 -5.934 1.00 0.52 O ATOM 1500 CB ALA B 42 9.479 -9.460 -5.642 1.00 0.54 C ATOM 0 H ALA B 42 10.286 -11.609 -6.464 1.00 0.51 H new ATOM 0 HA ALA B 42 8.285 -10.925 -4.637 1.00 0.50 H new ATOM 0 HB1 ALA B 42 8.923 -8.613 -5.239 1.00 0.54 H new ATOM 0 HB2 ALA B 42 10.353 -9.650 -5.019 1.00 0.54 H new ATOM 0 HB3 ALA B 42 9.801 -9.232 -6.658 1.00 0.54 H new ATOM 1506 N GLN B 43 7.481 -10.535 -7.794 1.00 0.44 N ATOM 1507 CA GLN B 43 6.378 -10.339 -8.722 1.00 0.45 C ATOM 1508 C GLN B 43 5.186 -11.220 -8.363 1.00 0.45 C ATOM 1509 O GLN B 43 4.135 -10.727 -7.947 1.00 0.48 O ATOM 1510 CB GLN B 43 6.844 -10.664 -10.137 1.00 0.49 C ATOM 1511 CG GLN B 43 7.641 -9.557 -10.805 1.00 0.82 C ATOM 1512 CD GLN B 43 8.201 -9.971 -12.156 1.00 0.85 C ATOM 1513 OE1 GLN B 43 8.386 -9.143 -13.044 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.473 -11.255 -12.324 1.00 1.12 N ATOM 0 H GLN B 43 8.365 -10.771 -8.246 1.00 0.44 H new ATOM 0 HA GLN B 43 6.061 -9.298 -8.661 1.00 0.45 H new ATOM 0 HB2 GLN B 43 7.454 -11.567 -10.107 1.00 0.49 H new ATOM 0 HB3 GLN B 43 5.972 -10.889 -10.751 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.003 -8.682 -10.933 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.461 -9.260 -10.152 1.00 0.82 H new ATOM 0 HE21 GLN B 43 8.307 -11.915 -11.564 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.849 -11.585 -13.213 1.00 1.12 H new ATOM 1523 N GLU B 44 5.363 -12.525 -8.513 1.00 0.49 N ATOM 1524 CA GLU B 44 4.313 -13.490 -8.193 1.00 0.54 C ATOM 1525 C GLU B 44 3.799 -13.321 -6.761 1.00 0.51 C ATOM 1526 O GLU B 44 2.609 -13.514 -6.495 1.00 0.50 O ATOM 1527 CB GLU B 44 4.808 -14.925 -8.404 1.00 0.68 C ATOM 1528 CG GLU B 44 4.828 -15.370 -9.862 1.00 1.20 C ATOM 1529 CD GLU B 44 5.911 -14.703 -10.683 1.00 1.65 C ATOM 1530 OE1 GLU B 44 5.665 -13.611 -11.233 1.00 2.20 O ATOM 1531 OE2 GLU B 44 7.012 -15.281 -10.794 1.00 2.36 O ATOM 0 H GLU B 44 6.227 -12.944 -8.856 1.00 0.49 H new ATOM 0 HA GLU B 44 3.484 -13.295 -8.873 1.00 0.54 H new ATOM 0 HB2 GLU B 44 5.814 -15.014 -7.994 1.00 0.68 H new ATOM 0 HB3 GLU B 44 4.171 -15.604 -7.837 1.00 0.68 H new ATOM 0 HG2 GLU B 44 4.967 -16.450 -9.902 1.00 1.20 H new ATOM 0 HG3 GLU B 44 3.859 -15.156 -10.312 1.00 1.20 H new ATOM 1538 N SER B 45 4.686 -12.944 -5.846 1.00 0.54 N ATOM 1539 CA SER B 45 4.302 -12.740 -4.455 1.00 0.59 C ATOM 1540 C SER B 45 3.360 -11.545 -4.303 1.00 0.55 C ATOM 1541 O SER B 45 2.465 -11.561 -3.457 1.00 0.58 O ATOM 1542 CB SER B 45 5.540 -12.553 -3.577 1.00 0.71 C ATOM 1543 OG SER B 45 6.357 -13.714 -3.597 1.00 1.04 O ATOM 0 H SER B 45 5.672 -12.774 -6.042 1.00 0.54 H new ATOM 0 HA SER B 45 3.768 -13.632 -4.127 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.113 -11.695 -3.928 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.235 -12.336 -2.553 1.00 0.71 H new ATOM 0 HG SER B 45 6.833 -13.764 -4.452 1.00 1.04 H new ATOM 1549 N LEU B 46 3.539 -10.516 -5.126 1.00 0.56 N ATOM 1550 CA LEU B 46 2.670 -9.347 -5.055 1.00 0.60 C ATOM 1551 C LEU B 46 1.273 -9.688 -5.526 1.00 0.50 C ATOM 1552 O LEU B 46 0.308 -9.083 -5.083 1.00 0.48 O ATOM 1553 CB LEU B 46 3.205 -8.173 -5.871 1.00 0.74 C ATOM 1554 CG LEU B 46 4.523 -7.585 -5.381 1.00 0.75 C ATOM 1555 CD1 LEU B 46 4.793 -6.248 -6.049 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.508 -7.443 -3.866 1.00 1.14 C ATOM 0 H LEU B 46 4.266 -10.467 -5.839 1.00 0.56 H new ATOM 0 HA LEU B 46 2.643 -9.045 -4.008 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.333 -8.498 -6.903 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.454 -7.383 -5.876 1.00 0.74 H new ATOM 0 HG LEU B 46 5.330 -8.266 -5.652 1.00 0.75 H new ATOM 0 HD11 LEU B 46 5.738 -5.844 -5.686 1.00 1.28 H new ATOM 0 HD12 LEU B 46 4.848 -6.385 -7.129 1.00 1.28 H new ATOM 0 HD13 LEU B 46 3.987 -5.553 -5.812 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.456 -7.022 -3.531 1.00 1.14 H new ATOM 0 HD22 LEU B 46 3.693 -6.783 -3.571 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.365 -8.423 -3.410 1.00 1.14 H new ATOM 1568 N GLU B 47 1.165 -10.655 -6.420 1.00 0.49 N ATOM 1569 CA GLU B 47 -0.138 -11.120 -6.865 1.00 0.48 C ATOM 1570 C GLU B 47 -0.897 -11.703 -5.678 1.00 0.43 C ATOM 1571 O GLU B 47 -2.101 -11.489 -5.522 1.00 0.45 O ATOM 1572 CB GLU B 47 0.018 -12.163 -7.972 1.00 0.55 C ATOM 1573 CG GLU B 47 -1.296 -12.573 -8.611 1.00 0.81 C ATOM 1574 CD GLU B 47 -1.128 -13.697 -9.606 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -1.194 -14.871 -9.193 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -0.923 -13.417 -10.805 1.00 1.52 O ATOM 0 H GLU B 47 1.958 -11.131 -6.850 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.702 -10.281 -7.271 1.00 0.48 H new ATOM 0 HB2 GLU B 47 0.679 -11.766 -8.743 1.00 0.55 H new ATOM 0 HB3 GLU B 47 0.504 -13.048 -7.560 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.994 -12.882 -7.833 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.738 -11.711 -9.112 1.00 0.81 H new ATOM 1583 N VAL B 48 -0.169 -12.420 -4.828 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.729 -12.945 -3.590 1.00 0.42 C ATOM 1585 C VAL B 48 -1.100 -11.795 -2.666 1.00 0.41 C ATOM 1586 O VAL B 48 -2.205 -11.748 -2.122 1.00 0.43 O ATOM 1587 CB VAL B 48 0.272 -13.858 -2.852 1.00 0.45 C ATOM 1588 CG1 VAL B 48 -0.403 -14.580 -1.697 1.00 0.49 C ATOM 1589 CG2 VAL B 48 0.911 -14.847 -3.806 1.00 0.48 C ATOM 0 H VAL B 48 0.813 -12.651 -4.976 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.610 -13.530 -3.853 1.00 0.42 H new ATOM 0 HB VAL B 48 1.061 -13.228 -2.443 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.323 -15.217 -1.192 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.797 -13.849 -0.991 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -1.220 -15.192 -2.078 1.00 0.49 H new ATOM 0 HG21 VAL B 48 1.612 -15.478 -3.260 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.138 -15.469 -4.257 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.443 -14.306 -4.588 1.00 0.48 H new ATOM 1599 N ALA B 49 -0.163 -10.864 -2.513 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.347 -9.704 -1.652 1.00 0.43 C ATOM 1601 C ALA B 49 -1.571 -8.902 -2.058 1.00 0.43 C ATOM 1602 O ALA B 49 -2.378 -8.531 -1.219 1.00 0.48 O ATOM 1603 CB ALA B 49 0.887 -8.817 -1.686 1.00 0.44 C ATOM 0 H ALA B 49 0.742 -10.894 -2.982 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.499 -10.067 -0.636 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.733 -7.955 -1.037 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.751 -9.383 -1.339 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.062 -8.477 -2.707 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.696 -8.654 -3.351 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.805 -7.891 -3.908 1.00 0.41 C ATOM 1611 C ILE B 50 -4.154 -8.502 -3.531 1.00 0.38 C ATOM 1612 O ILE B 50 -5.068 -7.796 -3.112 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.670 -7.803 -5.446 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.576 -6.800 -5.826 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.994 -7.432 -6.103 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -1.266 -6.767 -7.310 1.00 0.62 C ATOM 0 H ILE B 50 -1.027 -8.978 -4.050 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.765 -6.887 -3.485 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.386 -8.788 -5.815 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.882 -5.804 -5.506 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.665 -7.045 -5.279 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.862 -7.379 -7.184 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.742 -8.188 -5.866 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.326 -6.463 -5.730 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.482 -6.034 -7.502 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.929 -7.752 -7.633 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -2.164 -6.492 -7.863 1.00 0.62 H new ATOM 1628 N GLN B 51 -4.272 -9.817 -3.660 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.535 -10.485 -3.380 1.00 0.43 C ATOM 1630 C GLN B 51 -5.785 -10.621 -1.881 1.00 0.43 C ATOM 1631 O GLN B 51 -6.920 -10.481 -1.421 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.591 -11.848 -4.066 1.00 0.51 C ATOM 1633 CG GLN B 51 -5.850 -11.751 -5.561 1.00 0.78 C ATOM 1634 CD GLN B 51 -7.175 -11.074 -5.871 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -8.214 -11.729 -5.963 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -7.146 -9.762 -6.042 1.00 1.35 N ATOM 0 H GLN B 51 -3.517 -10.436 -3.954 1.00 0.39 H new ATOM 0 HA GLN B 51 -6.331 -9.861 -3.787 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.650 -12.371 -3.899 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -6.375 -12.448 -3.605 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -5.040 -11.194 -6.033 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -5.845 -12.751 -5.995 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -6.264 -9.256 -5.957 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -8.005 -9.257 -6.259 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.732 -10.876 -1.117 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.845 -10.910 0.337 1.00 0.52 C ATOM 1647 C CYS B 52 -5.215 -9.520 0.852 1.00 0.53 C ATOM 1648 O CYS B 52 -6.025 -9.365 1.776 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.537 -11.393 0.959 1.00 0.59 C ATOM 1650 SG CYS B 52 -3.064 -13.063 0.458 1.00 0.69 S ATOM 0 H CYS B 52 -3.795 -11.061 -1.475 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.630 -11.610 0.623 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.739 -10.702 0.686 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.629 -11.362 2.045 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.672 -13.050 -0.782 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.629 -8.506 0.226 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.027 -7.133 0.461 1.00 0.53 C ATOM 1658 C LEU B 53 -6.499 -6.979 0.157 1.00 0.50 C ATOM 1659 O LEU B 53 -7.247 -6.499 1.002 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.217 -6.160 -0.403 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.849 -5.761 0.151 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.086 -4.929 -0.867 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.009 -4.986 1.448 1.00 0.61 C ATOM 0 H LEU B 53 -3.873 -8.615 -0.450 1.00 0.49 H new ATOM 0 HA LEU B 53 -4.834 -6.895 1.507 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.073 -6.609 -1.386 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.807 -5.255 -0.549 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.281 -6.669 0.354 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.114 -4.653 -0.457 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.944 -5.510 -1.778 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.652 -4.026 -1.097 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.026 -4.709 1.830 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.594 -4.085 1.264 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.522 -5.607 2.182 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.909 -7.425 -1.038 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.294 -7.286 -1.488 1.00 0.50 C ATOM 1677 C GLU B 54 -9.255 -7.948 -0.497 1.00 0.56 C ATOM 1678 O GLU B 54 -10.441 -7.612 -0.442 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.498 -7.889 -2.878 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.629 -7.230 -3.685 1.00 0.73 C ATOM 1681 CD GLU B 54 -10.075 -8.094 -4.845 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.427 -8.056 -5.911 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -11.083 -8.816 -4.695 1.00 1.66 O ATOM 0 H GLU B 54 -6.296 -7.886 -1.710 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.509 -6.219 -1.541 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.568 -7.805 -3.440 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -8.712 -8.953 -2.774 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.478 -7.037 -3.029 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.291 -6.264 -4.061 1.00 0.73 H new ATOM 1690 N THR B 55 -8.737 -8.891 0.280 1.00 0.61 N ATOM 1691 CA THR B 55 -9.517 -9.531 1.321 1.00 0.77 C ATOM 1692 C THR B 55 -9.909 -8.508 2.392 1.00 0.83 C ATOM 1693 O THR B 55 -11.061 -8.465 2.822 1.00 0.98 O ATOM 1694 CB THR B 55 -8.744 -10.698 1.959 1.00 0.95 C ATOM 1695 OG1 THR B 55 -8.247 -11.567 0.929 1.00 0.99 O ATOM 1696 CG2 THR B 55 -9.638 -11.490 2.899 1.00 1.15 C ATOM 0 H THR B 55 -7.777 -9.227 0.205 1.00 0.61 H new ATOM 0 HA THR B 55 -10.421 -9.935 0.865 1.00 0.77 H new ATOM 0 HB THR B 55 -7.913 -10.288 2.532 1.00 0.95 H new ATOM 0 HG1 THR B 55 -7.725 -11.045 0.284 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.069 -12.310 3.338 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.003 -10.836 3.691 1.00 1.15 H new ATOM 0 HG23 THR B 55 -10.484 -11.893 2.343 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.952 -7.676 2.816 1.00 0.76 N ATOM 1705 CA ALA B 56 -9.279 -6.551 3.698 1.00 0.87 C ATOM 1706 C ALA B 56 -10.051 -5.513 2.901 1.00 0.88 C ATOM 1707 O ALA B 56 -11.256 -5.343 3.087 1.00 1.14 O ATOM 1708 CB ALA B 56 -8.018 -5.940 4.278 1.00 0.89 C ATOM 0 H ALA B 56 -7.965 -7.756 2.570 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.889 -6.907 4.528 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -8.283 -5.107 4.929 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -7.480 -6.693 4.853 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.383 -5.580 3.469 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.358 -4.850 1.988 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.007 -4.298 0.837 1.00 1.05 C ATOM 1716 C PHE B 57 -9.119 -4.440 -0.383 1.00 1.57 C ATOM 1717 O PHE B 57 -9.540 -4.926 -1.418 1.00 2.06 O ATOM 1718 CB PHE B 57 -10.216 -2.775 1.045 1.00 1.04 C ATOM 1719 CG PHE B 57 -9.108 -2.017 1.781 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.917 -1.715 1.138 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -9.270 -1.571 3.089 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -6.917 -0.997 1.761 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -8.261 -0.850 3.725 1.00 1.50 C ATOM 1724 CZ PHE B 57 -7.082 -0.564 3.051 1.00 0.92 C ATOM 0 H PHE B 57 -8.352 -4.688 2.032 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.952 -4.823 0.698 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -10.349 -2.314 0.066 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -11.147 -2.632 1.594 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -7.768 -2.051 0.122 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -10.187 -1.786 3.617 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -6.002 -0.776 1.231 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -8.397 -0.514 4.742 1.00 1.50 H new ATOM 0 HZ PHE B 57 -6.299 -0.004 3.540 1.00 0.92 H new ATOM 1734 N GLY B 58 -7.856 -4.216 -0.122 1.00 1.71 N ATOM 1735 CA GLY B 58 -6.819 -3.894 -1.091 1.00 2.29 C ATOM 1736 C GLY B 58 -7.257 -3.042 -2.277 1.00 2.05 C ATOM 1737 O GLY B 58 -6.383 -2.466 -2.898 1.00 2.60 O ATOM 0 H GLY B 58 -7.494 -4.254 0.831 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -6.013 -3.374 -0.573 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -6.403 -4.827 -1.472 1.00 2.29 H new ATOM 1741 N VAL B 59 -8.592 -2.891 -2.485 1.00 1.35 N ATOM 1742 CA VAL B 59 -9.388 -1.812 -3.091 1.00 1.13 C ATOM 1743 C VAL B 59 -10.813 -2.337 -2.970 1.00 1.04 C ATOM 1744 O VAL B 59 -11.076 -3.261 -2.223 1.00 1.22 O ATOM 1745 CB VAL B 59 -9.165 -1.473 -4.576 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -9.693 -0.082 -4.865 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -7.734 -1.544 -4.950 1.00 1.00 C ATOM 0 H VAL B 59 -9.216 -3.639 -2.183 1.00 1.35 H new ATOM 0 HA VAL B 59 -9.119 -0.887 -2.581 1.00 1.13 H new ATOM 0 HB VAL B 59 -9.703 -2.212 -5.169 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -9.534 0.156 -5.917 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -10.759 -0.044 -4.641 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -9.166 0.643 -4.245 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -7.621 -1.298 -6.006 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -7.165 -0.834 -4.349 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -7.361 -2.552 -4.771 1.00 1.00 H new ATOM 1757 N THR B 60 -11.732 -1.762 -3.684 1.00 1.17 N ATOM 1758 CA THR B 60 -12.780 -2.583 -4.256 1.00 1.30 C ATOM 1759 C THR B 60 -12.942 -2.186 -5.716 1.00 1.16 C ATOM 1760 O THR B 60 -12.510 -1.094 -6.095 1.00 1.14 O ATOM 1761 CB THR B 60 -14.129 -2.511 -3.526 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.702 -1.206 -3.662 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.980 -2.852 -2.054 1.00 2.38 C ATOM 0 H THR B 60 -11.788 -0.764 -3.886 1.00 1.17 H new ATOM 0 HA THR B 60 -12.469 -3.622 -4.150 1.00 1.30 H new ATOM 0 HB THR B 60 -14.791 -3.246 -3.984 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.562 -1.176 -3.193 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.953 -2.792 -1.566 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.585 -3.863 -1.953 1.00 2.38 H new ATOM 0 HG23 THR B 60 -13.295 -2.146 -1.585 1.00 2.38 H new ATOM 1771 N VAL B 61 -13.536 -3.032 -6.539 1.00 1.40 N ATOM 1772 CA VAL B 61 -13.573 -2.762 -7.976 1.00 1.59 C ATOM 1773 C VAL B 61 -14.330 -1.459 -8.270 1.00 1.83 C ATOM 1774 O VAL B 61 -14.068 -0.777 -9.264 1.00 2.11 O ATOM 1775 CB VAL B 61 -14.188 -3.943 -8.761 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -15.686 -4.061 -8.516 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -13.876 -3.815 -10.244 1.00 1.95 C ATOM 0 H VAL B 61 -13.993 -3.897 -6.250 1.00 1.40 H new ATOM 0 HA VAL B 61 -12.543 -2.643 -8.313 1.00 1.59 H new ATOM 0 HB VAL B 61 -13.733 -4.863 -8.395 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -16.083 -4.902 -9.085 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -15.869 -4.222 -7.454 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -16.180 -3.143 -8.834 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -14.316 -4.654 -10.782 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -14.292 -2.882 -10.624 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -12.796 -3.817 -10.390 1.00 1.95 H new ATOM 1787 N GLU B 62 -15.220 -1.092 -7.357 1.00 1.89 N ATOM 1788 CA GLU B 62 -16.004 0.127 -7.485 1.00 2.15 C ATOM 1789 C GLU B 62 -15.124 1.373 -7.376 1.00 1.63 C ATOM 1790 O GLU B 62 -15.457 2.428 -7.918 1.00 1.65 O ATOM 1791 CB GLU B 62 -17.084 0.157 -6.407 1.00 2.86 C ATOM 1792 CG GLU B 62 -18.032 -1.028 -6.468 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.796 -1.089 -7.772 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.296 -1.706 -8.733 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -19.901 -0.509 -7.846 1.00 3.97 O ATOM 0 H GLU B 62 -15.417 -1.628 -6.512 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.467 0.131 -8.472 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.608 0.181 -5.427 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.659 1.078 -6.505 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -17.465 -1.950 -6.339 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -18.737 -0.968 -5.639 1.00 3.13 H new ATOM 1802 N ASP B 63 -13.998 1.251 -6.681 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.092 2.383 -6.509 1.00 1.61 C ATOM 1804 C ASP B 63 -12.270 2.579 -7.772 1.00 1.59 C ATOM 1805 O ASP B 63 -11.952 3.701 -8.165 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.169 2.168 -5.314 1.00 1.89 C ATOM 1807 CG ASP B 63 -11.535 3.457 -4.829 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -10.518 3.880 -5.408 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -12.056 4.041 -3.855 1.00 3.35 O ATOM 0 H ASP B 63 -13.692 0.388 -6.231 1.00 1.36 H new ATOM 0 HA ASP B 63 -13.688 3.276 -6.321 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.735 1.716 -4.499 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.385 1.462 -5.587 1.00 1.89 H new ATOM 1814 N SER B 64 -11.955 1.471 -8.430 1.00 1.56 N ATOM 1815 CA SER B 64 -11.275 1.516 -9.711 1.00 1.82 C ATOM 1816 C SER B 64 -12.171 2.206 -10.735 1.00 1.73 C ATOM 1817 O SER B 64 -11.699 2.781 -11.721 1.00 1.91 O ATOM 1818 CB SER B 64 -10.922 0.099 -10.174 1.00 2.42 C ATOM 1819 OG SER B 64 -10.155 0.118 -11.368 1.00 2.92 O ATOM 0 H SER B 64 -12.161 0.530 -8.094 1.00 1.56 H new ATOM 0 HA SER B 64 -10.349 2.081 -9.609 1.00 1.82 H new ATOM 0 HB2 SER B 64 -10.364 -0.413 -9.390 1.00 2.42 H new ATOM 0 HB3 SER B 64 -11.837 -0.470 -10.337 1.00 2.42 H new ATOM 0 HG SER B 64 -9.945 -0.801 -11.636 1.00 2.92 H new ATOM 1825 N ASP B 65 -13.471 2.157 -10.473 1.00 1.68 N ATOM 1826 CA ASP B 65 -14.454 2.789 -11.332 1.00 2.03 C ATOM 1827 C ASP B 65 -14.473 4.300 -11.125 1.00 1.91 C ATOM 1828 O ASP B 65 -14.678 5.051 -12.077 1.00 2.28 O ATOM 1829 CB ASP B 65 -15.843 2.204 -11.072 1.00 2.26 C ATOM 1830 CG ASP B 65 -16.911 2.838 -11.936 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -17.094 2.392 -13.090 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -17.580 3.777 -11.466 1.00 3.46 O ATOM 0 H ASP B 65 -13.868 1.680 -9.663 1.00 1.68 H new ATOM 0 HA ASP B 65 -14.174 2.590 -12.367 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -15.821 1.130 -11.257 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.101 2.342 -10.022 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.249 4.754 -9.889 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.254 6.188 -9.627 1.00 1.62 C ATOM 1839 C LEU B 66 -12.949 6.823 -10.091 1.00 1.45 C ATOM 1840 O LEU B 66 -12.981 7.826 -10.794 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.529 6.499 -8.135 1.00 1.77 C ATOM 1842 CG LEU B 66 -13.586 5.884 -7.096 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -12.411 6.808 -6.800 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -14.350 5.583 -5.818 1.00 1.57 C ATOM 0 H LEU B 66 -14.067 4.165 -9.077 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.071 6.626 -10.201 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.508 7.581 -8.008 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.542 6.170 -7.905 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.188 4.956 -7.506 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -11.760 6.343 -6.059 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -11.848 6.986 -7.716 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -12.783 7.757 -6.412 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -13.673 5.146 -5.084 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -14.770 6.506 -5.419 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -15.155 4.880 -6.032 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.826 6.170 -9.769 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.480 6.615 -10.162 1.00 1.26 C ATOM 1858 C ALA B 67 -10.223 8.104 -9.906 1.00 1.28 C ATOM 1859 O ALA B 67 -10.820 8.984 -10.529 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.206 6.288 -11.615 1.00 1.48 C ATOM 0 H ALA B 67 -11.824 5.309 -9.223 1.00 1.30 H new ATOM 0 HA ALA B 67 -9.791 6.063 -9.523 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.205 6.627 -11.882 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.276 5.211 -11.765 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.939 6.791 -12.246 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.288 8.380 -9.019 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.938 9.757 -8.689 1.00 1.29 C ATOM 1868 C LEU B 68 -8.277 10.440 -9.885 1.00 1.56 C ATOM 1869 O LEU B 68 -7.750 9.757 -10.764 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.015 9.798 -7.468 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.663 9.367 -6.150 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.666 9.471 -5.012 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -9.893 10.213 -5.858 1.00 1.18 C ATOM 0 H LEU B 68 -8.755 7.674 -8.512 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.853 10.298 -8.446 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.156 9.155 -7.660 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.635 10.813 -7.353 1.00 1.25 H new ATOM 0 HG LEU B 68 -8.975 8.327 -6.243 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.142 9.161 -4.082 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -6.812 8.824 -5.216 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.326 10.502 -4.919 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.340 9.892 -4.917 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.604 11.261 -5.784 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.617 10.093 -6.664 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.327 11.788 -9.954 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.776 12.554 -11.082 1.00 2.36 C ATOM 1887 C PRO B 69 -6.400 12.061 -11.520 1.00 2.25 C ATOM 1888 O PRO B 69 -6.163 11.811 -12.704 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.678 13.968 -10.516 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.791 14.052 -9.532 1.00 2.57 C ATOM 1891 CD PRO B 69 -8.941 12.673 -8.943 1.00 2.06 C ATOM 0 HA PRO B 69 -8.396 12.467 -11.974 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.713 14.139 -10.039 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.784 14.718 -11.300 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.569 14.784 -8.756 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.714 14.371 -10.016 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.435 12.592 -7.981 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -9.988 12.422 -8.775 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.505 11.902 -10.559 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.175 11.388 -10.831 1.00 1.82 C ATOM 1901 C GLN B 70 -3.965 10.095 -10.075 1.00 1.41 C ATOM 1902 O GLN B 70 -4.741 9.764 -9.177 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.105 12.397 -10.419 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.060 12.675 -8.922 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.016 13.713 -8.548 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -2.202 14.480 -7.606 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -0.906 13.742 -9.272 1.00 2.76 N ATOM 0 H GLN B 70 -5.678 12.123 -9.578 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.089 11.209 -11.903 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.130 12.029 -10.739 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.281 13.334 -10.947 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.041 13.017 -8.591 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -2.850 11.747 -8.391 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -0.786 13.090 -10.047 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -0.172 14.416 -9.054 1.00 2.76 H new ATOM 1916 N THR B 71 -2.918 9.372 -10.426 1.00 1.34 N ATOM 1917 CA THR B 71 -2.594 8.163 -9.714 1.00 1.13 C ATOM 1918 C THR B 71 -1.913 8.510 -8.395 1.00 0.85 C ATOM 1919 O THR B 71 -1.123 9.452 -8.305 1.00 0.83 O ATOM 1920 CB THR B 71 -1.684 7.257 -10.570 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.625 8.028 -11.157 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.487 6.570 -11.664 1.00 1.55 C ATOM 0 H THR B 71 -2.286 9.603 -11.193 1.00 1.34 H new ATOM 0 HA THR B 71 -3.515 7.618 -9.505 1.00 1.13 H new ATOM 0 HB THR B 71 -1.254 6.495 -9.920 1.00 1.22 H new ATOM 0 HG1 THR B 71 -0.054 7.442 -11.696 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.827 5.936 -12.256 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.268 5.959 -11.212 1.00 1.55 H new ATOM 0 HG23 THR B 71 -2.942 7.322 -12.308 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.216 7.711 -7.385 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.738 7.940 -6.027 1.00 0.66 C ATOM 1932 C LEU B 72 -0.223 7.780 -5.900 1.00 0.66 C ATOM 1933 O LEU B 72 0.394 8.543 -5.173 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.458 7.017 -5.052 1.00 0.78 C ATOM 1935 CG LEU B 72 -3.930 7.349 -4.766 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.088 8.823 -4.434 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.821 6.962 -5.939 1.00 1.79 C ATOM 0 H LEU B 72 -2.802 6.882 -7.482 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.966 8.976 -5.778 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.405 6.000 -5.440 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -1.915 7.026 -4.107 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.245 6.764 -3.902 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.137 9.041 -4.234 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.493 9.063 -3.553 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.747 9.424 -5.277 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.857 7.209 -5.706 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.509 7.508 -6.829 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.736 5.891 -6.122 1.00 1.79 H new ATOM 1949 N PRO B 73 0.405 6.781 -6.569 1.00 0.75 N ATOM 1950 CA PRO B 73 1.871 6.680 -6.629 1.00 0.84 C ATOM 1951 C PRO B 73 2.554 8.018 -6.945 1.00 0.80 C ATOM 1952 O PRO B 73 3.631 8.308 -6.425 1.00 0.82 O ATOM 1953 CB PRO B 73 2.106 5.683 -7.760 1.00 1.03 C ATOM 1954 CG PRO B 73 0.904 4.803 -7.749 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.241 5.639 -7.249 1.00 0.84 C ATOM 0 HA PRO B 73 2.292 6.377 -5.670 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.215 6.191 -8.718 1.00 1.03 H new ATOM 0 HB3 PRO B 73 3.018 5.109 -7.598 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.696 4.420 -8.748 1.00 1.06 H new ATOM 0 HG3 PRO B 73 1.063 3.939 -7.103 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.877 5.973 -8.069 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -0.875 5.076 -6.564 1.00 0.84 H new ATOM 1963 N GLU B 74 1.917 8.837 -7.782 1.00 0.78 N ATOM 1964 CA GLU B 74 2.456 10.149 -8.132 1.00 0.78 C ATOM 1965 C GLU B 74 2.364 11.091 -6.932 1.00 0.64 C ATOM 1966 O GLU B 74 3.274 11.878 -6.668 1.00 0.64 O ATOM 1967 CB GLU B 74 1.690 10.737 -9.318 1.00 0.86 C ATOM 1968 CG GLU B 74 2.360 11.955 -9.931 1.00 1.21 C ATOM 1969 CD GLU B 74 3.682 11.616 -10.589 1.00 1.47 C ATOM 1970 OE1 GLU B 74 3.673 11.224 -11.776 1.00 1.67 O ATOM 1971 OE2 GLU B 74 4.736 11.728 -9.926 1.00 2.27 O ATOM 0 H GLU B 74 1.028 8.614 -8.229 1.00 0.78 H new ATOM 0 HA GLU B 74 3.503 10.033 -8.413 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.579 9.970 -10.084 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.686 11.010 -8.992 1.00 0.86 H new ATOM 0 HG2 GLU B 74 1.693 12.400 -10.669 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.524 12.704 -9.157 1.00 1.21 H new ATOM 1978 N ILE B 75 1.259 11.000 -6.203 1.00 0.58 N ATOM 1979 CA ILE B 75 1.085 11.768 -4.976 1.00 0.53 C ATOM 1980 C ILE B 75 2.073 11.287 -3.921 1.00 0.49 C ATOM 1981 O ILE B 75 2.608 12.071 -3.141 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.355 11.642 -4.425 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.362 12.152 -5.458 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.502 12.401 -3.111 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.799 12.110 -4.986 1.00 1.37 C ATOM 0 H ILE B 75 0.468 10.401 -6.440 1.00 0.58 H new ATOM 0 HA ILE B 75 1.270 12.816 -5.211 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.558 10.589 -4.230 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.107 13.178 -5.724 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.270 11.555 -6.366 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.523 12.298 -2.743 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.192 11.993 -2.376 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.280 13.456 -3.273 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.452 12.487 -5.773 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.074 11.082 -4.748 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -2.908 12.730 -4.096 1.00 1.37 H new ATOM 1997 N PHE B 76 2.334 9.990 -3.929 1.00 0.50 N ATOM 1998 CA PHE B 76 3.259 9.386 -2.984 1.00 0.56 C ATOM 1999 C PHE B 76 4.700 9.738 -3.352 1.00 0.59 C ATOM 2000 O PHE B 76 5.619 9.604 -2.544 1.00 0.72 O ATOM 2001 CB PHE B 76 3.069 7.866 -2.941 1.00 0.65 C ATOM 2002 CG PHE B 76 1.665 7.432 -2.596 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.776 8.302 -1.980 1.00 2.12 C ATOM 2004 CD2 PHE B 76 1.235 6.150 -2.893 1.00 2.34 C ATOM 2005 CE1 PHE B 76 -0.508 7.900 -1.670 1.00 2.24 C ATOM 2006 CE2 PHE B 76 -0.047 5.743 -2.583 1.00 2.35 C ATOM 2007 CZ PHE B 76 -0.920 6.619 -1.970 1.00 2.37 C ATOM 0 H PHE B 76 1.915 9.331 -4.585 1.00 0.50 H new ATOM 0 HA PHE B 76 3.049 9.784 -1.991 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.339 7.449 -3.911 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.759 7.445 -2.210 1.00 0.65 H new ATOM 0 HD1 PHE B 76 1.093 9.306 -1.740 1.00 2.12 H new ATOM 0 HD2 PHE B 76 1.912 5.459 -3.374 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -1.189 8.589 -1.193 1.00 2.24 H new ATOM 0 HE2 PHE B 76 -0.367 4.739 -2.820 1.00 2.35 H new ATOM 0 HZ PHE B 76 -1.923 6.302 -1.726 1.00 2.37 H new ATOM 2017 N GLU B 77 4.882 10.177 -4.584 1.00 0.62 N ATOM 2018 CA GLU B 77 6.173 10.641 -5.055 1.00 0.73 C ATOM 2019 C GLU B 77 6.440 12.056 -4.541 1.00 0.69 C ATOM 2020 O GLU B 77 7.546 12.376 -4.106 1.00 0.79 O ATOM 2021 CB GLU B 77 6.194 10.606 -6.586 1.00 0.89 C ATOM 2022 CG GLU B 77 7.511 11.030 -7.208 1.00 1.56 C ATOM 2023 CD GLU B 77 8.667 10.131 -6.818 1.00 1.93 C ATOM 2024 OE1 GLU B 77 8.769 9.012 -7.365 1.00 2.51 O ATOM 2025 OE2 GLU B 77 9.488 10.544 -5.977 1.00 2.40 O ATOM 0 H GLU B 77 4.141 10.222 -5.284 1.00 0.62 H new ATOM 0 HA GLU B 77 6.959 9.988 -4.676 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.960 9.594 -6.917 1.00 0.89 H new ATOM 0 HB3 GLU B 77 5.403 11.255 -6.962 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.410 11.032 -8.293 1.00 1.56 H new ATOM 0 HG3 GLU B 77 7.736 12.053 -6.907 1.00 1.56 H new ATOM 2032 N ALA B 78 5.409 12.887 -4.568 1.00 0.60 N ATOM 2033 CA ALA B 78 5.543 14.285 -4.174 1.00 0.61 C ATOM 2034 C ALA B 78 5.372 14.478 -2.666 1.00 0.60 C ATOM 2035 O ALA B 78 6.199 15.119 -2.019 1.00 0.64 O ATOM 2036 CB ALA B 78 4.535 15.136 -4.929 1.00 0.64 C ATOM 0 H ALA B 78 4.469 12.619 -4.859 1.00 0.60 H new ATOM 0 HA ALA B 78 6.554 14.603 -4.429 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.642 16.178 -4.629 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.714 15.047 -6.001 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.526 14.794 -4.700 1.00 0.64 H new ATOM 2042 N ALA B 79 4.303 13.926 -2.110 1.00 0.64 N ATOM 2043 CA ALA B 79 3.966 14.155 -0.707 1.00 0.75 C ATOM 2044 C ALA B 79 4.580 13.107 0.217 1.00 0.86 C ATOM 2045 O ALA B 79 5.227 13.448 1.203 1.00 0.99 O ATOM 2046 CB ALA B 79 2.456 14.186 -0.528 1.00 0.83 C ATOM 0 H ALA B 79 3.653 13.316 -2.606 1.00 0.64 H new ATOM 0 HA ALA B 79 4.388 15.121 -0.429 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.217 14.357 0.522 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.034 14.990 -1.132 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.032 13.233 -0.846 1.00 0.83 H new ATOM 2052 N ALA B 80 4.390 11.835 -0.120 1.00 0.90 N ATOM 2053 CA ALA B 80 4.791 10.721 0.748 1.00 1.11 C ATOM 2054 C ALA B 80 6.305 10.630 0.940 1.00 1.26 C ATOM 2055 O ALA B 80 6.783 9.831 1.741 1.00 1.55 O ATOM 2056 CB ALA B 80 4.235 9.403 0.241 1.00 1.25 C ATOM 0 H ALA B 80 3.957 11.543 -0.996 1.00 0.90 H new ATOM 0 HA ALA B 80 4.361 10.928 1.728 1.00 1.11 H new ATOM 0 HB1 ALA B 80 4.549 8.597 0.904 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.146 9.452 0.219 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.610 9.213 -0.765 1.00 1.25 H new ATOM 2062 N THR B 81 7.058 11.407 0.175 1.00 1.23 N ATOM 2063 CA THR B 81 8.507 11.418 0.305 1.00 1.46 C ATOM 2064 C THR B 81 8.939 12.015 1.646 1.00 1.63 C ATOM 2065 O THR B 81 10.052 11.772 2.113 1.00 1.88 O ATOM 2066 CB THR B 81 9.148 12.222 -0.840 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.178 13.120 -1.400 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.685 11.302 -1.924 1.00 1.64 C ATOM 0 H THR B 81 6.691 12.036 -0.540 1.00 1.23 H new ATOM 0 HA THR B 81 8.847 10.383 0.256 1.00 1.46 H new ATOM 0 HB THR B 81 9.984 12.791 -0.433 1.00 1.59 H new ATOM 0 HG1 THR B 81 7.989 12.861 -2.326 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.132 11.899 -2.719 1.00 1.64 H new ATOM 0 HG22 THR B 81 10.440 10.641 -1.499 1.00 1.64 H new ATOM 0 HG23 THR B 81 8.869 10.706 -2.332 1.00 1.64 H new ATOM 2076 N GLY B 82 8.044 12.771 2.269 1.00 1.68 N ATOM 2077 CA GLY B 82 8.331 13.369 3.558 1.00 2.13 C ATOM 2078 C GLY B 82 7.112 14.058 4.132 1.00 1.99 C ATOM 2079 O GLY B 82 5.984 13.702 3.802 1.00 2.59 O ATOM 0 H GLY B 82 7.117 12.982 1.900 1.00 1.68 H new ATOM 0 HA2 GLY B 82 8.675 12.599 4.249 1.00 2.13 H new ATOM 0 HA3 GLY B 82 9.142 14.089 3.454 1.00 2.13 H new ATOM 2083 N LYS B 83 7.321 15.043 4.987 1.00 1.88 N ATOM 2084 CA LYS B 83 6.211 15.820 5.508 1.00 2.11 C ATOM 2085 C LYS B 83 6.219 17.208 4.888 1.00 2.84 C ATOM 2086 O LYS B 83 5.548 17.398 3.854 1.00 3.19 O ATOM 2087 CB LYS B 83 6.261 15.911 7.037 1.00 2.30 C ATOM 2088 CG LYS B 83 5.126 16.738 7.625 1.00 2.77 C ATOM 2089 CD LYS B 83 5.162 16.752 9.143 1.00 3.43 C ATOM 2090 CE LYS B 83 4.100 17.681 9.716 1.00 3.92 C ATOM 2091 NZ LYS B 83 2.725 17.292 9.296 1.00 4.40 N ATOM 2092 OXT LYS B 83 6.917 18.098 5.416 1.00 3.61 O ATOM 0 H LYS B 83 8.239 15.322 5.332 1.00 1.88 H new ATOM 0 HA LYS B 83 5.283 15.314 5.241 1.00 2.11 H new ATOM 0 HB2 LYS B 83 6.224 14.905 7.456 1.00 2.30 H new ATOM 0 HB3 LYS B 83 7.214 16.347 7.338 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.190 17.760 7.251 1.00 2.77 H new ATOM 0 HG3 LYS B 83 4.171 16.335 7.288 1.00 2.77 H new ATOM 0 HD2 LYS B 83 5.006 15.742 9.521 1.00 3.43 H new ATOM 0 HD3 LYS B 83 6.148 17.071 9.482 1.00 3.43 H new ATOM 0 HE2 LYS B 83 4.161 17.673 10.804 1.00 3.92 H new ATOM 0 HE3 LYS B 83 4.301 18.703 9.393 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 2.028 17.853 9.827 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 2.610 17.470 8.278 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 2.576 16.281 9.490 1.00 4.40 H new