USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 913 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 11 ASN : amide:sc= 0.926 K(o=2.2,f=0.77) USER MOD Set 1.2: A 83 THR OG1 : rot -63:sc= 1.27 USER MOD Single : A 2 SER OG : rot 40:sc= 0.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.96! K(o=-2!,f=-0.038) USER MOD Single : A 9 MET CE :methyl -144:sc= -1.25 (180deg=-2.36!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0.704 (180deg=0.0888) USER MOD Single : A 21 THR OG1 : rot 31:sc= 0.371 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0.995 (180deg=0.95) USER MOD Single : A 27 SER OG : rot -66:sc= 1.18 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -91:sc= -0.0614 USER MOD Single : A 33 SER OG : rot -100:sc= 0.799 USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= -1.42! (180deg=-1.64!) USER MOD Single : A 38 HIS : no HD1:sc=-0.00555 X(o=-0.0055,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.315 K(o=-0.32,f=-8.6!) USER MOD Single : A 45 MET CE :methyl -164:sc= -0.0947 (180deg=-0.493) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 53 SER OG : rot 71:sc= 1.27 USER MOD Single : A 54 SER OG : rot 65:sc= 0.911 USER MOD Single : A 56 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.43) USER MOD Single : A 62 TYR OH : rot 128:sc= 0.0125 USER MOD Single : A 63 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.4!) USER MOD Single : A 68 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.35) USER MOD Single : A 70 ASN : amide:sc= -5.22! C(o=-5.2!,f=-7.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc=-3.01e-05 (180deg=-0.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 100:sc= -0.065 USER MOD Single : A 86 MET CE :methyl 161:sc= -0.136 (180deg=-0.575) USER MOD Single : A 87 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-0.68) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.54) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0541 K(o=-0.054,f=-5.9!) USER MOD Single : A 102 GLN : amide:sc= -2.05! C(o=-2.1!,f=-6.9!) USER MOD Single : A 104 ASN : amide:sc= -0.684 K(o=-0.68,f=-3.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 43:sc= 0.644 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.7) USER MOD Single : A 113 CYS SG : rot 32:sc= 0.0786 USER MOD Single : A 114 CYS SG : rot 43:sc=-0.00606 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -7.490 -11.391 14.107 1.00 33.20 N ATOM 2 CA SER A 2 -7.963 -11.988 12.899 1.00 30.31 C ATOM 3 C SER A 2 -8.508 -13.367 13.190 1.00 24.33 C ATOM 4 O SER A 2 -7.765 -14.262 13.602 1.00 63.11 O ATOM 5 CB SER A 2 -6.837 -12.045 11.850 1.00 73.24 C ATOM 6 OG SER A 2 -5.653 -12.653 12.379 1.00 14.13 O ATOM 0 HA SER A 2 -8.768 -11.378 12.489 1.00 30.31 H new ATOM 0 HB2 SER A 2 -7.178 -12.607 10.980 1.00 73.24 H new ATOM 0 HB3 SER A 2 -6.607 -11.036 11.508 1.00 73.24 H new ATOM 0 HG SER A 2 -5.901 -13.415 12.944 1.00 14.13 H new ATOM 12 N SER A 3 -9.779 -13.530 13.009 1.00 74.42 N ATOM 13 CA SER A 3 -10.409 -14.790 13.225 1.00 61.01 C ATOM 14 C SER A 3 -11.300 -15.096 12.034 1.00 5.00 C ATOM 15 O SER A 3 -12.460 -14.659 11.976 1.00 3.12 O ATOM 16 CB SER A 3 -11.201 -14.791 14.545 1.00 53.42 C ATOM 17 OG SER A 3 -11.749 -16.075 14.824 1.00 64.22 O ATOM 0 H SER A 3 -10.411 -12.789 12.706 1.00 74.42 H new ATOM 0 HA SER A 3 -9.654 -15.571 13.315 1.00 61.01 H new ATOM 0 HB2 SER A 3 -10.547 -14.488 15.363 1.00 53.42 H new ATOM 0 HB3 SER A 3 -12.004 -14.056 14.489 1.00 53.42 H new ATOM 0 HG SER A 3 -12.244 -16.043 15.669 1.00 64.22 H new ATOM 23 N ASN A 4 -10.722 -15.787 11.050 1.00 62.31 N ATOM 24 CA ASN A 4 -11.399 -16.149 9.790 1.00 52.34 C ATOM 25 C ASN A 4 -11.685 -14.899 8.960 1.00 71.22 C ATOM 26 O ASN A 4 -11.218 -13.790 9.298 1.00 52.04 O ATOM 27 CB ASN A 4 -12.708 -16.969 10.015 1.00 65.31 C ATOM 28 CG ASN A 4 -12.508 -18.366 10.614 1.00 43.11 C ATOM 29 OD1 ASN A 4 -13.279 -19.293 10.321 1.00 74.21 O ATOM 30 ND2 ASN A 4 -11.513 -18.539 11.448 1.00 23.23 N ATOM 0 H ASN A 4 -9.759 -16.118 11.100 1.00 62.31 H new ATOM 0 HA ASN A 4 -10.716 -16.798 9.242 1.00 52.34 H new ATOM 0 HB2 ASN A 4 -13.366 -16.400 10.672 1.00 65.31 H new ATOM 0 HB3 ASN A 4 -13.223 -17.071 9.060 1.00 65.31 H new ATOM 0 HD21 ASN A 4 -11.357 -19.453 11.874 1.00 23.23 H new ATOM 0 HD22 ASN A 4 -10.894 -17.760 11.672 1.00 23.23 H new ATOM 37 N VAL A 5 -12.388 -15.060 7.872 1.00 50.14 N ATOM 38 CA VAL A 5 -12.758 -13.952 7.045 1.00 43.34 C ATOM 39 C VAL A 5 -14.284 -13.973 6.885 1.00 50.42 C ATOM 40 O VAL A 5 -14.831 -14.917 6.308 1.00 71.14 O ATOM 41 CB VAL A 5 -12.111 -14.046 5.643 1.00 74.13 C ATOM 42 CG1 VAL A 5 -12.389 -12.789 4.859 1.00 73.04 C ATOM 43 CG2 VAL A 5 -10.613 -14.303 5.724 1.00 44.13 C ATOM 0 H VAL A 5 -12.719 -15.965 7.537 1.00 50.14 H new ATOM 0 HA VAL A 5 -12.413 -13.031 7.515 1.00 43.34 H new ATOM 0 HB VAL A 5 -12.558 -14.896 5.128 1.00 74.13 H new ATOM 0 HG11 VAL A 5 -11.929 -12.866 3.874 1.00 73.04 H new ATOM 0 HG12 VAL A 5 -13.466 -12.660 4.748 1.00 73.04 H new ATOM 0 HG13 VAL A 5 -11.973 -11.931 5.388 1.00 73.04 H new ATOM 0 HG21 VAL A 5 -10.199 -14.362 4.717 1.00 44.13 H new ATOM 0 HG22 VAL A 5 -10.133 -13.489 6.267 1.00 44.13 H new ATOM 0 HG23 VAL A 5 -10.433 -15.243 6.246 1.00 44.13 H new ATOM 53 N PRO A 6 -14.986 -12.952 7.391 1.00 0.24 N ATOM 54 CA PRO A 6 -16.444 -12.904 7.332 1.00 42.14 C ATOM 55 C PRO A 6 -16.948 -12.714 5.927 1.00 51.30 C ATOM 56 O PRO A 6 -16.322 -12.002 5.118 1.00 34.55 O ATOM 57 CB PRO A 6 -16.829 -11.665 8.144 1.00 35.21 C ATOM 58 CG PRO A 6 -15.573 -11.138 8.752 1.00 62.22 C ATOM 59 CD PRO A 6 -14.417 -11.771 8.038 1.00 45.42 C ATOM 0 HA PRO A 6 -16.869 -13.835 7.706 1.00 42.14 H new ATOM 0 HB2 PRO A 6 -17.294 -10.914 7.505 1.00 35.21 H new ATOM 0 HB3 PRO A 6 -17.555 -11.920 8.916 1.00 35.21 H new ATOM 0 HG2 PRO A 6 -15.530 -10.053 8.660 1.00 62.22 H new ATOM 0 HG3 PRO A 6 -15.538 -11.370 9.817 1.00 62.22 H new ATOM 0 HD2 PRO A 6 -13.981 -11.090 7.307 1.00 45.42 H new ATOM 0 HD3 PRO A 6 -13.623 -12.044 8.733 1.00 45.42 H new ATOM 67 N ALA A 7 -18.080 -13.313 5.617 1.00 15.43 N ATOM 68 CA ALA A 7 -18.670 -13.120 4.338 1.00 75.33 C ATOM 69 C ALA A 7 -19.417 -11.811 4.312 1.00 5.34 C ATOM 70 O ALA A 7 -20.631 -11.737 4.531 1.00 54.54 O ATOM 71 CB ALA A 7 -19.537 -14.270 3.916 1.00 54.54 C ATOM 0 H ALA A 7 -18.597 -13.933 6.241 1.00 15.43 H new ATOM 0 HA ALA A 7 -17.866 -13.079 3.603 1.00 75.33 H new ATOM 0 HB1 ALA A 7 -19.960 -14.065 2.932 1.00 54.54 H new ATOM 0 HB2 ALA A 7 -18.938 -15.180 3.872 1.00 54.54 H new ATOM 0 HB3 ALA A 7 -20.344 -14.401 4.637 1.00 54.54 H new ATOM 77 N ASP A 8 -18.642 -10.791 4.176 1.00 62.00 N ATOM 78 CA ASP A 8 -19.090 -9.423 4.069 1.00 43.04 C ATOM 79 C ASP A 8 -17.976 -8.648 3.459 1.00 33.32 C ATOM 80 O ASP A 8 -18.167 -7.847 2.551 1.00 53.05 O ATOM 81 CB ASP A 8 -19.393 -8.832 5.462 1.00 32.02 C ATOM 82 CG ASP A 8 -19.835 -7.370 5.405 1.00 0.24 C ATOM 83 OD1 ASP A 8 -21.050 -7.116 5.259 1.00 5.23 O ATOM 84 OD2 ASP A 8 -18.980 -6.464 5.507 1.00 23.21 O ATOM 0 H ASP A 8 -17.627 -10.880 4.133 1.00 62.00 H new ATOM 0 HA ASP A 8 -20.000 -9.377 3.471 1.00 43.04 H new ATOM 0 HB2 ASP A 8 -20.174 -9.424 5.940 1.00 32.02 H new ATOM 0 HB3 ASP A 8 -18.504 -8.913 6.087 1.00 32.02 H new ATOM 89 N MET A 9 -16.792 -8.954 3.921 1.00 41.12 N ATOM 90 CA MET A 9 -15.610 -8.250 3.521 1.00 11.10 C ATOM 91 C MET A 9 -14.571 -9.203 2.964 1.00 15.42 C ATOM 92 O MET A 9 -14.630 -10.411 3.210 1.00 64.21 O ATOM 93 CB MET A 9 -15.106 -7.349 4.670 1.00 22.05 C ATOM 94 CG MET A 9 -14.845 -8.019 5.983 1.00 31.40 C ATOM 95 SD MET A 9 -14.783 -6.807 7.325 1.00 10.11 S ATOM 96 CE MET A 9 -13.742 -5.520 6.612 1.00 22.54 C ATOM 0 H MET A 9 -16.623 -9.705 4.590 1.00 41.12 H new ATOM 0 HA MET A 9 -15.845 -7.576 2.697 1.00 11.10 H new ATOM 0 HB2 MET A 9 -14.184 -6.866 4.345 1.00 22.05 H new ATOM 0 HB3 MET A 9 -15.840 -6.559 4.831 1.00 22.05 H new ATOM 0 HG2 MET A 9 -15.627 -8.751 6.184 1.00 31.40 H new ATOM 0 HG3 MET A 9 -13.903 -8.565 5.936 1.00 31.40 H new ATOM 0 HE1 MET A 9 -13.113 -5.088 7.390 1.00 22.54 H new ATOM 0 HE2 MET A 9 -13.112 -5.951 5.834 1.00 22.54 H new ATOM 0 HE3 MET A 9 -14.371 -4.741 6.180 1.00 22.54 H new ATOM 106 N ILE A 10 -13.649 -8.677 2.214 1.00 74.53 N ATOM 107 CA ILE A 10 -12.691 -9.479 1.498 1.00 22.25 C ATOM 108 C ILE A 10 -11.273 -9.358 2.074 1.00 60.01 C ATOM 109 O ILE A 10 -10.849 -8.285 2.519 1.00 61.51 O ATOM 110 CB ILE A 10 -12.764 -9.235 -0.074 1.00 42.13 C ATOM 111 CG1 ILE A 10 -12.699 -7.764 -0.476 1.00 31.44 C ATOM 112 CG2 ILE A 10 -14.005 -9.832 -0.675 1.00 14.12 C ATOM 113 CD1 ILE A 10 -11.354 -7.129 -0.405 1.00 12.23 C ATOM 0 H ILE A 10 -13.536 -7.672 2.078 1.00 74.53 H new ATOM 0 HA ILE A 10 -12.972 -10.521 1.650 1.00 22.25 H new ATOM 0 HB ILE A 10 -11.876 -9.733 -0.464 1.00 42.13 H new ATOM 0 HG12 ILE A 10 -13.071 -7.669 -1.496 1.00 31.44 H new ATOM 0 HG13 ILE A 10 -13.379 -7.202 0.164 1.00 31.44 H new ATOM 0 HG21 ILE A 10 -14.016 -9.643 -1.749 1.00 14.12 H new ATOM 0 HG22 ILE A 10 -14.015 -10.907 -0.495 1.00 14.12 H new ATOM 0 HG23 ILE A 10 -14.885 -9.379 -0.218 1.00 14.12 H new ATOM 0 HD11 ILE A 10 -11.427 -6.086 -0.712 1.00 12.23 H new ATOM 0 HD12 ILE A 10 -10.981 -7.181 0.618 1.00 12.23 H new ATOM 0 HD13 ILE A 10 -10.668 -7.655 -1.069 1.00 12.23 H new ATOM 125 N ASN A 11 -10.574 -10.466 2.116 1.00 34.25 N ATOM 126 CA ASN A 11 -9.223 -10.501 2.647 1.00 12.31 C ATOM 127 C ASN A 11 -8.272 -10.178 1.539 1.00 50.23 C ATOM 128 O ASN A 11 -8.076 -10.972 0.633 1.00 10.25 O ATOM 129 CB ASN A 11 -8.939 -11.882 3.252 1.00 14.24 C ATOM 130 CG ASN A 11 -7.542 -12.078 3.861 1.00 42.23 C ATOM 131 OD1 ASN A 11 -7.052 -13.198 3.918 1.00 53.25 O ATOM 132 ND2 ASN A 11 -6.897 -11.029 4.315 1.00 20.13 N ATOM 0 H ASN A 11 -10.919 -11.368 1.786 1.00 34.25 H new ATOM 0 HA ASN A 11 -9.101 -9.765 3.441 1.00 12.31 H new ATOM 0 HB2 ASN A 11 -9.681 -12.077 4.026 1.00 14.24 H new ATOM 0 HB3 ASN A 11 -9.083 -12.633 2.476 1.00 14.24 H new ATOM 0 HD21 ASN A 11 -5.969 -11.139 4.725 1.00 20.13 H new ATOM 0 HD22 ASN A 11 -7.323 -10.104 4.258 1.00 20.13 H new ATOM 139 N LEU A 12 -7.709 -9.019 1.594 1.00 0.13 N ATOM 140 CA LEU A 12 -6.889 -8.538 0.534 1.00 44.24 C ATOM 141 C LEU A 12 -5.459 -8.311 0.969 1.00 73.14 C ATOM 142 O LEU A 12 -5.194 -7.714 2.020 1.00 73.25 O ATOM 143 CB LEU A 12 -7.501 -7.244 -0.001 1.00 71.12 C ATOM 144 CG LEU A 12 -6.686 -6.446 -1.012 1.00 35.11 C ATOM 145 CD1 LEU A 12 -6.364 -7.246 -2.253 1.00 52.21 C ATOM 146 CD2 LEU A 12 -7.397 -5.158 -1.351 1.00 61.24 C ATOM 0 H LEU A 12 -7.805 -8.375 2.379 1.00 0.13 H new ATOM 0 HA LEU A 12 -6.854 -9.295 -0.249 1.00 44.24 H new ATOM 0 HB2 LEU A 12 -8.459 -7.489 -0.460 1.00 71.12 H new ATOM 0 HB3 LEU A 12 -7.712 -6.595 0.849 1.00 71.12 H new ATOM 0 HG LEU A 12 -5.729 -6.205 -0.550 1.00 35.11 H new ATOM 0 HD11 LEU A 12 -5.782 -6.632 -2.941 1.00 52.21 H new ATOM 0 HD12 LEU A 12 -5.787 -8.128 -1.977 1.00 52.21 H new ATOM 0 HD13 LEU A 12 -7.290 -7.555 -2.737 1.00 52.21 H new ATOM 0 HD21 LEU A 12 -6.806 -4.596 -2.074 1.00 61.24 H new ATOM 0 HD22 LEU A 12 -8.374 -5.383 -1.778 1.00 61.24 H new ATOM 0 HD23 LEU A 12 -7.525 -4.564 -0.446 1.00 61.24 H new ATOM 158 N ARG A 13 -4.548 -8.797 0.171 1.00 72.53 N ATOM 159 CA ARG A 13 -3.179 -8.547 0.382 1.00 25.34 C ATOM 160 C ARG A 13 -2.697 -7.579 -0.666 1.00 63.11 C ATOM 161 O ARG A 13 -2.769 -7.845 -1.872 1.00 11.43 O ATOM 162 CB ARG A 13 -2.377 -9.846 0.357 1.00 53.15 C ATOM 163 CG ARG A 13 -0.908 -9.660 0.689 1.00 24.21 C ATOM 164 CD ARG A 13 -0.261 -10.979 1.037 1.00 22.10 C ATOM 165 NE ARG A 13 -0.263 -11.946 -0.062 1.00 22.50 N ATOM 166 CZ ARG A 13 -0.854 -13.149 -0.014 1.00 64.12 C ATOM 167 NH1 ARG A 13 -1.678 -13.464 0.991 1.00 61.21 N ATOM 168 NH2 ARG A 13 -0.649 -14.032 -0.990 1.00 61.15 N ATOM 0 H ARG A 13 -4.752 -9.378 -0.642 1.00 72.53 H new ATOM 0 HA ARG A 13 -3.033 -8.106 1.368 1.00 25.34 H new ATOM 0 HB2 ARG A 13 -2.815 -10.547 1.067 1.00 53.15 H new ATOM 0 HB3 ARG A 13 -2.463 -10.297 -0.631 1.00 53.15 H new ATOM 0 HG2 ARG A 13 -0.393 -9.211 -0.161 1.00 24.21 H new ATOM 0 HG3 ARG A 13 -0.805 -8.969 1.525 1.00 24.21 H new ATOM 0 HD2 ARG A 13 0.768 -10.798 1.347 1.00 22.10 H new ATOM 0 HD3 ARG A 13 -0.780 -11.413 1.892 1.00 22.10 H new ATOM 0 HE ARG A 13 0.218 -11.687 -0.923 1.00 22.50 H new ATOM 0 HH11 ARG A 13 -1.862 -12.786 1.731 1.00 61.21 H new ATOM 0 HH12 ARG A 13 -2.122 -14.382 1.018 1.00 61.21 H new ATOM 0 HH21 ARG A 13 -0.042 -13.793 -1.774 1.00 61.15 H new ATOM 0 HH22 ARG A 13 -1.099 -14.947 -0.953 1.00 61.15 H new ATOM 182 N LEU A 14 -2.210 -6.491 -0.193 1.00 53.02 N ATOM 183 CA LEU A 14 -1.710 -5.410 -1.001 1.00 74.54 C ATOM 184 C LEU A 14 -0.207 -5.524 -1.115 1.00 32.23 C ATOM 185 O LEU A 14 0.503 -5.562 -0.096 1.00 32.11 O ATOM 186 CB LEU A 14 -2.083 -4.020 -0.370 1.00 71.41 C ATOM 187 CG LEU A 14 -3.579 -3.621 -0.285 1.00 73.10 C ATOM 188 CD1 LEU A 14 -4.238 -3.567 -1.640 1.00 11.24 C ATOM 189 CD2 LEU A 14 -4.369 -4.496 0.664 1.00 10.43 C ATOM 0 H LEU A 14 -2.140 -6.309 0.808 1.00 53.02 H new ATOM 0 HA LEU A 14 -2.166 -5.475 -1.989 1.00 74.54 H new ATOM 0 HB2 LEU A 14 -1.676 -3.995 0.641 1.00 71.41 H new ATOM 0 HB3 LEU A 14 -1.566 -3.248 -0.941 1.00 71.41 H new ATOM 0 HG LEU A 14 -3.586 -2.612 0.127 1.00 73.10 H new ATOM 0 HD11 LEU A 14 -5.284 -3.283 -1.525 1.00 11.24 H new ATOM 0 HD12 LEU A 14 -3.729 -2.832 -2.263 1.00 11.24 H new ATOM 0 HD13 LEU A 14 -4.178 -4.547 -2.113 1.00 11.24 H new ATOM 0 HD21 LEU A 14 -5.408 -4.168 0.681 1.00 10.43 H new ATOM 0 HD22 LEU A 14 -4.321 -5.532 0.329 1.00 10.43 H new ATOM 0 HD23 LEU A 14 -3.948 -4.419 1.666 1.00 10.43 H new ATOM 201 N ILE A 15 0.292 -5.619 -2.320 1.00 1.11 N ATOM 202 CA ILE A 15 1.706 -5.664 -2.497 1.00 1.00 C ATOM 203 C ILE A 15 2.176 -4.290 -2.893 1.00 72.34 C ATOM 204 O ILE A 15 1.746 -3.743 -3.920 1.00 65.02 O ATOM 205 CB ILE A 15 2.150 -6.700 -3.545 1.00 15.41 C ATOM 206 CG1 ILE A 15 1.541 -8.077 -3.212 1.00 41.40 C ATOM 207 CG2 ILE A 15 3.678 -6.774 -3.570 1.00 33.30 C ATOM 208 CD1 ILE A 15 1.964 -9.186 -4.144 1.00 4.55 C ATOM 0 H ILE A 15 -0.257 -5.666 -3.178 1.00 1.11 H new ATOM 0 HA ILE A 15 2.156 -5.976 -1.554 1.00 1.00 H new ATOM 0 HB ILE A 15 1.797 -6.400 -4.531 1.00 15.41 H new ATOM 0 HG12 ILE A 15 1.820 -8.348 -2.194 1.00 41.40 H new ATOM 0 HG13 ILE A 15 0.454 -7.995 -3.233 1.00 41.40 H new ATOM 0 HG21 ILE A 15 3.995 -7.507 -4.312 1.00 33.30 H new ATOM 0 HG22 ILE A 15 4.085 -5.797 -3.829 1.00 33.30 H new ATOM 0 HG23 ILE A 15 4.044 -7.071 -2.587 1.00 33.30 H new ATOM 0 HD11 ILE A 15 1.490 -10.119 -3.838 1.00 4.55 H new ATOM 0 HD12 ILE A 15 1.660 -8.942 -5.162 1.00 4.55 H new ATOM 0 HD13 ILE A 15 3.047 -9.300 -4.106 1.00 4.55 H new ATOM 220 N LEU A 16 3.026 -3.731 -2.077 1.00 52.12 N ATOM 221 CA LEU A 16 3.505 -2.375 -2.263 1.00 74.32 C ATOM 222 C LEU A 16 4.521 -2.294 -3.394 1.00 72.41 C ATOM 223 O LEU A 16 5.044 -3.312 -3.846 1.00 22.12 O ATOM 224 CB LEU A 16 4.152 -1.874 -0.969 1.00 61.33 C ATOM 225 CG LEU A 16 3.288 -1.954 0.288 1.00 4.02 C ATOM 226 CD1 LEU A 16 4.040 -1.414 1.491 1.00 22.24 C ATOM 227 CD2 LEU A 16 1.972 -1.224 0.091 1.00 2.12 C ATOM 0 H LEU A 16 3.412 -4.200 -1.258 1.00 52.12 H new ATOM 0 HA LEU A 16 2.650 -1.751 -2.523 1.00 74.32 H new ATOM 0 HB2 LEU A 16 5.063 -2.447 -0.796 1.00 61.33 H new ATOM 0 HB3 LEU A 16 4.451 -0.836 -1.114 1.00 61.33 H new ATOM 0 HG LEU A 16 3.059 -3.003 0.477 1.00 4.02 H new ATOM 0 HD11 LEU A 16 3.407 -1.480 2.376 1.00 22.24 H new ATOM 0 HD12 LEU A 16 4.945 -2.001 1.648 1.00 22.24 H new ATOM 0 HD13 LEU A 16 4.309 -0.373 1.314 1.00 22.24 H new ATOM 0 HD21 LEU A 16 1.376 -1.296 1.001 1.00 2.12 H new ATOM 0 HD22 LEU A 16 2.168 -0.175 -0.132 1.00 2.12 H new ATOM 0 HD23 LEU A 16 1.426 -1.675 -0.737 1.00 2.12 H new ATOM 239 N VAL A 17 4.817 -1.071 -3.827 1.00 23.33 N ATOM 240 CA VAL A 17 5.818 -0.818 -4.876 1.00 53.34 C ATOM 241 C VAL A 17 7.218 -1.086 -4.356 1.00 64.33 C ATOM 242 O VAL A 17 8.181 -1.177 -5.118 1.00 63.32 O ATOM 243 CB VAL A 17 5.754 0.646 -5.395 1.00 20.10 C ATOM 244 CG1 VAL A 17 4.441 0.905 -6.077 1.00 73.25 C ATOM 245 CG2 VAL A 17 5.965 1.648 -4.257 1.00 64.32 C ATOM 0 H VAL A 17 4.375 -0.226 -3.466 1.00 23.33 H new ATOM 0 HA VAL A 17 5.588 -1.495 -5.699 1.00 53.34 H new ATOM 0 HB VAL A 17 6.560 0.779 -6.117 1.00 20.10 H new ATOM 0 HG11 VAL A 17 4.413 1.934 -6.434 1.00 73.25 H new ATOM 0 HG12 VAL A 17 4.329 0.225 -6.921 1.00 73.25 H new ATOM 0 HG13 VAL A 17 3.626 0.744 -5.371 1.00 73.25 H new ATOM 0 HG21 VAL A 17 5.915 2.663 -4.652 1.00 64.32 H new ATOM 0 HG22 VAL A 17 5.188 1.513 -3.504 1.00 64.32 H new ATOM 0 HG23 VAL A 17 6.942 1.483 -3.804 1.00 64.32 H new ATOM 255 N SER A 18 7.312 -1.191 -3.059 1.00 40.41 N ATOM 256 CA SER A 18 8.543 -1.441 -2.379 1.00 34.11 C ATOM 257 C SER A 18 8.841 -2.945 -2.364 1.00 21.43 C ATOM 258 O SER A 18 9.894 -3.378 -1.907 1.00 3.24 O ATOM 259 CB SER A 18 8.395 -0.931 -0.958 1.00 12.31 C ATOM 260 OG SER A 18 7.902 0.397 -0.963 1.00 32.14 O ATOM 0 H SER A 18 6.511 -1.102 -2.434 1.00 40.41 H new ATOM 0 HA SER A 18 9.366 -0.936 -2.885 1.00 34.11 H new ATOM 0 HB2 SER A 18 7.716 -1.577 -0.401 1.00 12.31 H new ATOM 0 HB3 SER A 18 9.358 -0.967 -0.449 1.00 12.31 H new ATOM 0 HG SER A 18 7.809 0.715 -0.041 1.00 32.14 H new ATOM 266 N GLY A 19 7.885 -3.736 -2.844 1.00 40.43 N ATOM 267 CA GLY A 19 8.052 -5.169 -2.866 1.00 52.44 C ATOM 268 C GLY A 19 7.578 -5.830 -1.591 1.00 1.41 C ATOM 269 O GLY A 19 7.563 -7.049 -1.488 1.00 4.32 O ATOM 0 H GLY A 19 6.996 -3.403 -3.218 1.00 40.43 H new ATOM 0 HA2 GLY A 19 7.502 -5.582 -3.711 1.00 52.44 H new ATOM 0 HA3 GLY A 19 9.104 -5.406 -3.024 1.00 52.44 H new ATOM 273 N LYS A 20 7.181 -5.031 -0.626 1.00 31.32 N ATOM 274 CA LYS A 20 6.708 -5.561 0.635 1.00 41.34 C ATOM 275 C LYS A 20 5.224 -5.848 0.559 1.00 25.32 C ATOM 276 O LYS A 20 4.443 -5.021 0.085 1.00 23.21 O ATOM 277 CB LYS A 20 7.035 -4.638 1.845 1.00 24.24 C ATOM 278 CG LYS A 20 8.533 -4.519 2.217 1.00 21.41 C ATOM 279 CD LYS A 20 9.364 -3.841 1.139 1.00 0.21 C ATOM 280 CE LYS A 20 10.841 -3.791 1.506 1.00 62.10 C ATOM 281 NZ LYS A 20 11.657 -3.122 0.456 1.00 14.14 N ATOM 0 H LYS A 20 7.176 -4.013 -0.689 1.00 31.32 H new ATOM 0 HA LYS A 20 7.245 -6.493 0.810 1.00 41.34 H new ATOM 0 HB2 LYS A 20 6.653 -3.640 1.630 1.00 24.24 H new ATOM 0 HB3 LYS A 20 6.492 -5.006 2.716 1.00 24.24 H new ATOM 0 HG2 LYS A 20 8.627 -3.957 3.146 1.00 21.41 H new ATOM 0 HG3 LYS A 20 8.935 -5.515 2.404 1.00 21.41 H new ATOM 0 HD2 LYS A 20 9.242 -4.376 0.197 1.00 0.21 H new ATOM 0 HD3 LYS A 20 8.995 -2.828 0.980 1.00 0.21 H new ATOM 0 HE2 LYS A 20 10.962 -3.261 2.451 1.00 62.10 H new ATOM 0 HE3 LYS A 20 11.210 -4.805 1.660 1.00 62.10 H new ATOM 0 HZ1 LYS A 20 12.556 -3.632 0.337 1.00 14.14 H new ATOM 0 HZ2 LYS A 20 11.136 -3.126 -0.444 1.00 14.14 H new ATOM 0 HZ3 LYS A 20 11.851 -2.140 0.740 1.00 14.14 H new ATOM 295 N THR A 21 4.846 -7.013 0.994 1.00 21.31 N ATOM 296 CA THR A 21 3.472 -7.434 0.941 1.00 21.25 C ATOM 297 C THR A 21 2.810 -7.231 2.299 1.00 12.11 C ATOM 298 O THR A 21 3.360 -7.644 3.325 1.00 75.14 O ATOM 299 CB THR A 21 3.396 -8.933 0.581 1.00 41.41 C ATOM 300 OG1 THR A 21 4.067 -9.708 1.600 1.00 22.23 O ATOM 301 CG2 THR A 21 4.077 -9.208 -0.750 1.00 2.34 C ATOM 0 H THR A 21 5.481 -7.702 1.397 1.00 21.31 H new ATOM 0 HA THR A 21 2.958 -6.840 0.185 1.00 21.25 H new ATOM 0 HB THR A 21 2.344 -9.211 0.512 1.00 41.41 H new ATOM 0 HG1 THR A 21 3.977 -9.257 2.466 1.00 22.23 H new ATOM 0 HG21 THR A 21 4.009 -10.271 -0.980 1.00 2.34 H new ATOM 0 HG22 THR A 21 3.585 -8.634 -1.536 1.00 2.34 H new ATOM 0 HG23 THR A 21 5.125 -8.916 -0.690 1.00 2.34 H new ATOM 309 N LYS A 22 1.665 -6.597 2.322 1.00 45.23 N ATOM 310 CA LYS A 22 0.928 -6.413 3.572 1.00 13.14 C ATOM 311 C LYS A 22 -0.518 -6.813 3.357 1.00 14.42 C ATOM 312 O LYS A 22 -1.095 -6.509 2.324 1.00 53.22 O ATOM 313 CB LYS A 22 1.040 -4.962 4.073 1.00 40.21 C ATOM 314 CG LYS A 22 2.480 -4.529 4.369 1.00 54.02 C ATOM 315 CD LYS A 22 2.578 -3.085 4.831 1.00 32.23 C ATOM 316 CE LYS A 22 1.879 -2.848 6.164 1.00 72.32 C ATOM 317 NZ LYS A 22 1.961 -1.433 6.574 1.00 24.24 N ATOM 0 H LYS A 22 1.214 -6.197 1.499 1.00 45.23 H new ATOM 0 HA LYS A 22 1.362 -7.049 4.344 1.00 13.14 H new ATOM 0 HB2 LYS A 22 0.614 -4.293 3.325 1.00 40.21 H new ATOM 0 HB3 LYS A 22 0.442 -4.851 4.977 1.00 40.21 H new ATOM 0 HG2 LYS A 22 2.900 -5.180 5.136 1.00 54.02 H new ATOM 0 HG3 LYS A 22 3.086 -4.661 3.472 1.00 54.02 H new ATOM 0 HD2 LYS A 22 3.628 -2.807 4.921 1.00 32.23 H new ATOM 0 HD3 LYS A 22 2.139 -2.435 4.074 1.00 32.23 H new ATOM 0 HE2 LYS A 22 0.833 -3.145 6.085 1.00 72.32 H new ATOM 0 HE3 LYS A 22 2.332 -3.477 6.930 1.00 72.32 H new ATOM 0 HZ1 LYS A 22 1.377 -1.283 7.421 1.00 24.24 H new ATOM 0 HZ2 LYS A 22 2.949 -1.190 6.787 1.00 24.24 H new ATOM 0 HZ3 LYS A 22 1.614 -0.827 5.803 1.00 24.24 H new ATOM 331 N GLU A 23 -1.103 -7.489 4.314 1.00 55.24 N ATOM 332 CA GLU A 23 -2.444 -8.004 4.131 1.00 12.10 C ATOM 333 C GLU A 23 -3.353 -7.529 5.244 1.00 25.14 C ATOM 334 O GLU A 23 -2.980 -7.582 6.425 1.00 55.21 O ATOM 335 CB GLU A 23 -2.404 -9.517 4.127 1.00 33.05 C ATOM 336 CG GLU A 23 -3.678 -10.174 3.679 1.00 75.55 C ATOM 337 CD GLU A 23 -3.624 -11.653 3.880 1.00 24.12 C ATOM 338 OE1 GLU A 23 -2.870 -12.338 3.162 1.00 63.23 O ATOM 339 OE2 GLU A 23 -4.286 -12.153 4.810 1.00 35.43 O ATOM 0 H GLU A 23 -0.681 -7.696 5.219 1.00 55.24 H new ATOM 0 HA GLU A 23 -2.833 -7.639 3.181 1.00 12.10 H new ATOM 0 HB2 GLU A 23 -1.593 -9.844 3.476 1.00 33.05 H new ATOM 0 HB3 GLU A 23 -2.166 -9.864 5.132 1.00 33.05 H new ATOM 0 HG2 GLU A 23 -4.519 -9.759 4.235 1.00 75.55 H new ATOM 0 HG3 GLU A 23 -3.853 -9.954 2.626 1.00 75.55 H new ATOM 346 N PHE A 24 -4.529 -7.065 4.876 1.00 31.24 N ATOM 347 CA PHE A 24 -5.520 -6.571 5.821 1.00 32.00 C ATOM 348 C PHE A 24 -6.910 -6.927 5.329 1.00 14.43 C ATOM 349 O PHE A 24 -7.098 -7.246 4.148 1.00 12.00 O ATOM 350 CB PHE A 24 -5.418 -5.048 6.016 1.00 10.35 C ATOM 351 CG PHE A 24 -4.101 -4.562 6.551 1.00 52.05 C ATOM 352 CD1 PHE A 24 -3.842 -4.563 7.911 1.00 21.30 C ATOM 353 CD2 PHE A 24 -3.122 -4.104 5.690 1.00 44.53 C ATOM 354 CE1 PHE A 24 -2.631 -4.115 8.396 1.00 61.22 C ATOM 355 CE2 PHE A 24 -1.911 -3.656 6.167 1.00 52.43 C ATOM 356 CZ PHE A 24 -1.664 -3.661 7.523 1.00 11.23 C ATOM 0 H PHE A 24 -4.831 -7.018 3.903 1.00 31.24 H new ATOM 0 HA PHE A 24 -5.327 -7.044 6.784 1.00 32.00 H new ATOM 0 HB2 PHE A 24 -5.606 -4.561 5.059 1.00 10.35 H new ATOM 0 HB3 PHE A 24 -6.209 -4.730 6.696 1.00 10.35 H new ATOM 0 HD1 PHE A 24 -4.595 -4.918 8.599 1.00 21.30 H new ATOM 0 HD2 PHE A 24 -3.310 -4.097 4.626 1.00 44.53 H new ATOM 0 HE1 PHE A 24 -2.440 -4.120 9.459 1.00 61.22 H new ATOM 0 HE2 PHE A 24 -1.156 -3.302 5.481 1.00 52.43 H new ATOM 0 HZ PHE A 24 -0.715 -3.310 7.901 1.00 11.23 H new ATOM 366 N LEU A 25 -7.866 -6.926 6.210 1.00 11.32 N ATOM 367 CA LEU A 25 -9.226 -7.192 5.820 1.00 22.23 C ATOM 368 C LEU A 25 -9.870 -5.868 5.400 1.00 41.31 C ATOM 369 O LEU A 25 -9.838 -4.892 6.153 1.00 61.15 O ATOM 370 CB LEU A 25 -9.988 -7.791 7.005 1.00 45.34 C ATOM 371 CG LEU A 25 -11.357 -8.394 6.729 1.00 20.34 C ATOM 372 CD1 LEU A 25 -11.267 -9.509 5.711 1.00 72.03 C ATOM 373 CD2 LEU A 25 -11.961 -8.909 8.026 1.00 22.03 C ATOM 0 H LEU A 25 -7.733 -6.744 7.205 1.00 11.32 H new ATOM 0 HA LEU A 25 -9.254 -7.900 4.991 1.00 22.23 H new ATOM 0 HB2 LEU A 25 -9.363 -8.566 7.449 1.00 45.34 H new ATOM 0 HB3 LEU A 25 -10.110 -7.010 7.756 1.00 45.34 H new ATOM 0 HG LEU A 25 -12.000 -7.617 6.316 1.00 20.34 H new ATOM 0 HD11 LEU A 25 -12.260 -9.921 5.534 1.00 72.03 H new ATOM 0 HD12 LEU A 25 -10.865 -9.117 4.777 1.00 72.03 H new ATOM 0 HD13 LEU A 25 -10.611 -10.294 6.088 1.00 72.03 H new ATOM 0 HD21 LEU A 25 -12.942 -9.340 7.825 1.00 22.03 H new ATOM 0 HD22 LEU A 25 -11.310 -9.672 8.453 1.00 22.03 H new ATOM 0 HD23 LEU A 25 -12.065 -8.085 8.731 1.00 22.03 H new ATOM 385 N PHE A 26 -10.425 -5.832 4.217 1.00 74.23 N ATOM 386 CA PHE A 26 -11.087 -4.636 3.701 1.00 64.32 C ATOM 387 C PHE A 26 -12.422 -5.032 3.124 1.00 20.55 C ATOM 388 O PHE A 26 -12.728 -6.213 3.041 1.00 54.42 O ATOM 389 CB PHE A 26 -10.245 -3.927 2.618 1.00 74.44 C ATOM 390 CG PHE A 26 -8.953 -3.309 3.098 1.00 40.13 C ATOM 391 CD1 PHE A 26 -8.949 -2.039 3.657 1.00 12.41 C ATOM 392 CD2 PHE A 26 -7.745 -3.978 2.971 1.00 72.01 C ATOM 393 CE1 PHE A 26 -7.771 -1.454 4.087 1.00 20.34 C ATOM 394 CE2 PHE A 26 -6.574 -3.399 3.392 1.00 70.44 C ATOM 395 CZ PHE A 26 -6.581 -2.138 3.953 1.00 52.21 C ATOM 0 H PHE A 26 -10.437 -6.624 3.575 1.00 74.23 H new ATOM 0 HA PHE A 26 -11.214 -3.934 4.525 1.00 64.32 H new ATOM 0 HB2 PHE A 26 -10.013 -4.648 1.834 1.00 74.44 H new ATOM 0 HB3 PHE A 26 -10.854 -3.146 2.163 1.00 74.44 H new ATOM 0 HD1 PHE A 26 -9.879 -1.499 3.758 1.00 12.41 H new ATOM 0 HD2 PHE A 26 -7.725 -4.966 2.536 1.00 72.01 H new ATOM 0 HE1 PHE A 26 -7.783 -0.467 4.525 1.00 20.34 H new ATOM 0 HE2 PHE A 26 -5.642 -3.933 3.284 1.00 70.44 H new ATOM 0 HZ PHE A 26 -5.657 -1.688 4.286 1.00 52.21 H new ATOM 405 N SER A 27 -13.211 -4.087 2.724 1.00 60.30 N ATOM 406 CA SER A 27 -14.480 -4.415 2.163 1.00 63.42 C ATOM 407 C SER A 27 -14.354 -4.411 0.652 1.00 71.05 C ATOM 408 O SER A 27 -13.513 -3.697 0.104 1.00 51.44 O ATOM 409 CB SER A 27 -15.567 -3.426 2.625 1.00 40.22 C ATOM 410 OG SER A 27 -15.319 -2.115 2.155 1.00 33.21 O ATOM 0 H SER A 27 -13.001 -3.090 2.775 1.00 60.30 H new ATOM 0 HA SER A 27 -14.783 -5.404 2.506 1.00 63.42 H new ATOM 0 HB2 SER A 27 -16.540 -3.762 2.267 1.00 40.22 H new ATOM 0 HB3 SER A 27 -15.613 -3.419 3.714 1.00 40.22 H new ATOM 0 HG SER A 27 -14.502 -1.768 2.570 1.00 33.21 H new ATOM 416 N PRO A 28 -15.161 -5.207 -0.054 1.00 24.23 N ATOM 417 CA PRO A 28 -15.154 -5.239 -1.518 1.00 43.13 C ATOM 418 C PRO A 28 -15.569 -3.888 -2.138 1.00 40.31 C ATOM 419 O PRO A 28 -15.382 -3.656 -3.342 1.00 52.24 O ATOM 420 CB PRO A 28 -16.175 -6.340 -1.850 1.00 53.00 C ATOM 421 CG PRO A 28 -17.037 -6.407 -0.648 1.00 50.12 C ATOM 422 CD PRO A 28 -16.123 -6.171 0.501 1.00 34.02 C ATOM 0 HA PRO A 28 -14.160 -5.431 -1.923 1.00 43.13 H new ATOM 0 HB2 PRO A 28 -16.752 -6.093 -2.741 1.00 53.00 H new ATOM 0 HB3 PRO A 28 -15.684 -7.294 -2.042 1.00 53.00 H new ATOM 0 HG2 PRO A 28 -17.824 -5.654 -0.686 1.00 50.12 H new ATOM 0 HG3 PRO A 28 -17.527 -7.377 -0.568 1.00 50.12 H new ATOM 0 HD2 PRO A 28 -16.652 -5.766 1.364 1.00 34.02 H new ATOM 0 HD3 PRO A 28 -15.635 -7.089 0.828 1.00 34.02 H new ATOM 430 N ASN A 29 -16.097 -3.004 -1.290 1.00 54.20 N ATOM 431 CA ASN A 29 -16.584 -1.691 -1.697 1.00 42.43 C ATOM 432 C ASN A 29 -15.429 -0.681 -1.701 1.00 22.12 C ATOM 433 O ASN A 29 -15.522 0.390 -2.309 1.00 51.15 O ATOM 434 CB ASN A 29 -17.677 -1.234 -0.702 1.00 22.42 C ATOM 435 CG ASN A 29 -18.440 0.013 -1.137 1.00 21.12 C ATOM 436 OD1 ASN A 29 -19.474 -0.087 -1.800 1.00 14.40 O ATOM 437 ND2 ASN A 29 -17.961 1.181 -0.763 1.00 11.21 N ATOM 0 H ASN A 29 -16.198 -3.184 -0.291 1.00 54.20 H new ATOM 0 HA ASN A 29 -17.000 -1.749 -2.703 1.00 42.43 H new ATOM 0 HB2 ASN A 29 -18.387 -2.049 -0.561 1.00 22.42 H new ATOM 0 HB3 ASN A 29 -17.214 -1.043 0.266 1.00 22.42 H new ATOM 0 HD21 ASN A 29 -18.449 2.039 -1.022 1.00 11.21 H new ATOM 0 HD22 ASN A 29 -17.102 1.228 -0.215 1.00 11.21 H new ATOM 444 N ASP A 30 -14.333 -1.036 -1.024 1.00 30.12 N ATOM 445 CA ASP A 30 -13.159 -0.154 -0.914 1.00 11.50 C ATOM 446 C ASP A 30 -12.419 -0.008 -2.231 1.00 51.04 C ATOM 447 O ASP A 30 -12.498 -0.871 -3.117 1.00 73.41 O ATOM 448 CB ASP A 30 -12.171 -0.571 0.206 1.00 1.11 C ATOM 449 CG ASP A 30 -12.706 -0.385 1.603 1.00 13.35 C ATOM 450 OD1 ASP A 30 -12.945 0.773 2.016 1.00 54.41 O ATOM 451 OD2 ASP A 30 -12.866 -1.393 2.340 1.00 13.52 O ATOM 0 H ASP A 30 -14.231 -1.929 -0.542 1.00 30.12 H new ATOM 0 HA ASP A 30 -13.571 0.816 -0.637 1.00 11.50 H new ATOM 0 HB2 ASP A 30 -11.904 -1.619 0.068 1.00 1.11 H new ATOM 0 HB3 ASP A 30 -11.254 0.008 0.100 1.00 1.11 H new ATOM 456 N SER A 31 -11.727 1.092 -2.365 1.00 64.33 N ATOM 457 CA SER A 31 -10.963 1.394 -3.527 1.00 52.31 C ATOM 458 C SER A 31 -9.517 0.900 -3.374 1.00 12.21 C ATOM 459 O SER A 31 -8.786 1.358 -2.503 1.00 53.12 O ATOM 460 CB SER A 31 -11.052 2.894 -3.741 1.00 54.34 C ATOM 461 OG SER A 31 -10.971 3.584 -2.504 1.00 44.15 O ATOM 0 H SER A 31 -11.684 1.815 -1.647 1.00 64.33 H new ATOM 0 HA SER A 31 -11.355 0.880 -4.405 1.00 52.31 H new ATOM 0 HB2 SER A 31 -10.246 3.221 -4.398 1.00 54.34 H new ATOM 0 HB3 SER A 31 -11.990 3.140 -4.239 1.00 54.34 H new ATOM 0 HG SER A 31 -11.873 3.716 -2.143 1.00 44.15 H new ATOM 467 N ALA A 32 -9.127 -0.014 -4.252 1.00 13.21 N ATOM 468 CA ALA A 32 -7.823 -0.706 -4.226 1.00 25.10 C ATOM 469 C ALA A 32 -6.625 0.245 -4.152 1.00 34.11 C ATOM 470 O ALA A 32 -5.754 0.085 -3.291 1.00 32.44 O ATOM 471 CB ALA A 32 -7.711 -1.560 -5.468 1.00 22.05 C ATOM 0 H ALA A 32 -9.718 -0.311 -5.029 1.00 13.21 H new ATOM 0 HA ALA A 32 -7.792 -1.308 -3.318 1.00 25.10 H new ATOM 0 HB1 ALA A 32 -6.753 -2.080 -5.467 1.00 22.05 H new ATOM 0 HB2 ALA A 32 -8.520 -2.290 -5.482 1.00 22.05 H new ATOM 0 HB3 ALA A 32 -7.779 -0.927 -6.352 1.00 22.05 H new ATOM 477 N SER A 33 -6.576 1.220 -5.033 1.00 42.32 N ATOM 478 CA SER A 33 -5.438 2.118 -5.091 1.00 35.51 C ATOM 479 C SER A 33 -5.417 3.096 -3.879 1.00 13.41 C ATOM 480 O SER A 33 -4.364 3.634 -3.516 1.00 72.11 O ATOM 481 CB SER A 33 -5.416 2.827 -6.446 1.00 51.53 C ATOM 482 OG SER A 33 -5.515 1.854 -7.485 1.00 43.35 O ATOM 0 H SER A 33 -7.307 1.413 -5.718 1.00 42.32 H new ATOM 0 HA SER A 33 -4.516 1.542 -5.008 1.00 35.51 H new ATOM 0 HB2 SER A 33 -6.243 3.534 -6.514 1.00 51.53 H new ATOM 0 HB3 SER A 33 -4.496 3.401 -6.555 1.00 51.53 H new ATOM 0 HG SER A 33 -4.625 1.679 -7.855 1.00 43.35 H new ATOM 488 N ASP A 34 -6.588 3.310 -3.268 1.00 31.14 N ATOM 489 CA ASP A 34 -6.693 4.078 -2.006 1.00 4.14 C ATOM 490 C ASP A 34 -6.098 3.254 -0.894 1.00 4.33 C ATOM 491 O ASP A 34 -5.272 3.725 -0.108 1.00 12.31 O ATOM 492 CB ASP A 34 -8.149 4.365 -1.655 1.00 61.33 C ATOM 493 CG ASP A 34 -8.305 5.100 -0.331 1.00 64.24 C ATOM 494 OD1 ASP A 34 -8.059 6.300 -0.281 1.00 31.41 O ATOM 495 OD2 ASP A 34 -8.690 4.454 0.692 1.00 34.30 O ATOM 0 H ASP A 34 -7.481 2.965 -3.621 1.00 31.14 H new ATOM 0 HA ASP A 34 -6.166 5.024 -2.131 1.00 4.14 H new ATOM 0 HB2 ASP A 34 -8.599 4.960 -2.450 1.00 61.33 H new ATOM 0 HB3 ASP A 34 -8.699 3.425 -1.610 1.00 61.33 H new ATOM 500 N ILE A 35 -6.534 2.000 -0.850 1.00 72.21 N ATOM 501 CA ILE A 35 -6.069 1.027 0.117 1.00 63.24 C ATOM 502 C ILE A 35 -4.559 0.921 0.064 1.00 54.04 C ATOM 503 O ILE A 35 -3.906 0.895 1.100 1.00 35.25 O ATOM 504 CB ILE A 35 -6.663 -0.366 -0.166 1.00 73.03 C ATOM 505 CG1 ILE A 35 -8.180 -0.370 -0.060 1.00 62.43 C ATOM 506 CG2 ILE A 35 -6.076 -1.383 0.761 1.00 23.31 C ATOM 507 CD1 ILE A 35 -8.788 -1.720 -0.372 1.00 64.24 C ATOM 0 H ILE A 35 -7.231 1.631 -1.497 1.00 72.21 H new ATOM 0 HA ILE A 35 -6.392 1.363 1.102 1.00 63.24 H new ATOM 0 HB ILE A 35 -6.405 -0.627 -1.192 1.00 73.03 H new ATOM 0 HG12 ILE A 35 -8.470 -0.071 0.947 1.00 62.43 H new ATOM 0 HG13 ILE A 35 -8.589 0.374 -0.744 1.00 62.43 H new ATOM 0 HG21 ILE A 35 -6.507 -2.361 0.547 1.00 23.31 H new ATOM 0 HG22 ILE A 35 -4.996 -1.423 0.620 1.00 23.31 H new ATOM 0 HG23 ILE A 35 -6.297 -1.106 1.792 1.00 23.31 H new ATOM 0 HD11 ILE A 35 -9.872 -1.661 -0.280 1.00 64.24 H new ATOM 0 HD12 ILE A 35 -8.526 -2.011 -1.389 1.00 64.24 H new ATOM 0 HD13 ILE A 35 -8.404 -2.462 0.328 1.00 64.24 H new ATOM 519 N ALA A 36 -4.026 0.877 -1.158 1.00 25.04 N ATOM 520 CA ALA A 36 -2.593 0.798 -1.425 1.00 74.23 C ATOM 521 C ALA A 36 -1.819 1.852 -0.657 1.00 65.24 C ATOM 522 O ALA A 36 -0.703 1.615 -0.222 1.00 25.11 O ATOM 523 CB ALA A 36 -2.337 0.972 -2.908 1.00 14.04 C ATOM 0 H ALA A 36 -4.592 0.896 -2.006 1.00 25.04 H new ATOM 0 HA ALA A 36 -2.250 -0.183 -1.096 1.00 74.23 H new ATOM 0 HB1 ALA A 36 -1.266 0.912 -3.102 1.00 14.04 H new ATOM 0 HB2 ALA A 36 -2.850 0.185 -3.461 1.00 14.04 H new ATOM 0 HB3 ALA A 36 -2.710 1.944 -3.230 1.00 14.04 H new ATOM 529 N LYS A 37 -2.421 3.005 -0.482 1.00 53.11 N ATOM 530 CA LYS A 37 -1.802 4.073 0.226 1.00 44.05 C ATOM 531 C LYS A 37 -1.808 3.766 1.719 1.00 32.42 C ATOM 532 O LYS A 37 -0.776 3.831 2.384 1.00 51.41 O ATOM 533 CB LYS A 37 -2.539 5.362 -0.059 1.00 13.22 C ATOM 534 CG LYS A 37 -2.645 5.732 -1.533 1.00 22.14 C ATOM 535 CD LYS A 37 -1.289 5.742 -2.216 1.00 53.53 C ATOM 536 CE LYS A 37 -1.400 6.273 -3.631 1.00 20.52 C ATOM 537 NZ LYS A 37 -1.848 7.689 -3.632 1.00 3.04 N ATOM 0 H LYS A 37 -3.355 3.218 -0.832 1.00 53.11 H new ATOM 0 HA LYS A 37 -0.768 4.184 -0.101 1.00 44.05 H new ATOM 0 HB2 LYS A 37 -3.545 5.287 0.354 1.00 13.22 H new ATOM 0 HB3 LYS A 37 -2.038 6.174 0.468 1.00 13.22 H new ATOM 0 HG2 LYS A 37 -3.300 5.023 -2.039 1.00 22.14 H new ATOM 0 HG3 LYS A 37 -3.106 6.715 -1.628 1.00 22.14 H new ATOM 0 HD2 LYS A 37 -0.595 6.359 -1.645 1.00 53.53 H new ATOM 0 HD3 LYS A 37 -0.879 4.732 -2.233 1.00 53.53 H new ATOM 0 HE2 LYS A 37 -0.435 6.192 -4.131 1.00 20.52 H new ATOM 0 HE3 LYS A 37 -2.104 5.664 -4.198 1.00 20.52 H new ATOM 0 HZ1 LYS A 37 -1.966 8.015 -4.612 1.00 3.04 H new ATOM 0 HZ2 LYS A 37 -2.756 7.766 -3.130 1.00 3.04 H new ATOM 0 HZ3 LYS A 37 -1.137 8.278 -3.154 1.00 3.04 H new ATOM 551 N HIS A 38 -2.991 3.390 2.224 1.00 40.23 N ATOM 552 CA HIS A 38 -3.189 3.070 3.643 1.00 63.13 C ATOM 553 C HIS A 38 -2.303 1.911 4.085 1.00 35.41 C ATOM 554 O HIS A 38 -1.760 1.925 5.189 1.00 22.44 O ATOM 555 CB HIS A 38 -4.685 2.764 3.946 1.00 41.13 C ATOM 556 CG HIS A 38 -4.974 2.359 5.384 1.00 43.42 C ATOM 557 ND1 HIS A 38 -5.292 3.252 6.379 1.00 24.13 N ATOM 558 CD2 HIS A 38 -4.976 1.136 5.974 1.00 62.41 C ATOM 559 CE1 HIS A 38 -5.471 2.601 7.512 1.00 54.32 C ATOM 560 NE2 HIS A 38 -5.286 1.318 7.291 1.00 14.30 N ATOM 0 H HIS A 38 -3.836 3.299 1.660 1.00 40.23 H new ATOM 0 HA HIS A 38 -2.897 3.950 4.217 1.00 63.13 H new ATOM 0 HB2 HIS A 38 -5.278 3.646 3.706 1.00 41.13 H new ATOM 0 HB3 HIS A 38 -5.019 1.965 3.284 1.00 41.13 H new ATOM 0 HD2 HIS A 38 -4.770 0.193 5.490 1.00 62.41 H new ATOM 0 HE1 HIS A 38 -5.727 3.047 8.462 1.00 54.32 H new ATOM 0 HE2 HIS A 38 -5.362 0.579 7.990 1.00 14.30 H new ATOM 569 N VAL A 39 -2.184 0.910 3.240 1.00 40.13 N ATOM 570 CA VAL A 39 -1.359 -0.238 3.535 1.00 50.04 C ATOM 571 C VAL A 39 0.117 0.088 3.415 1.00 44.44 C ATOM 572 O VAL A 39 0.934 -0.497 4.117 1.00 54.20 O ATOM 573 CB VAL A 39 -1.723 -1.455 2.683 1.00 31.43 C ATOM 574 CG1 VAL A 39 -3.147 -1.874 2.988 1.00 0.43 C ATOM 575 CG2 VAL A 39 -1.587 -1.132 1.236 1.00 71.43 C ATOM 0 H VAL A 39 -2.654 0.870 2.335 1.00 40.13 H new ATOM 0 HA VAL A 39 -1.562 -0.503 4.573 1.00 50.04 H new ATOM 0 HB VAL A 39 -1.044 -2.274 2.921 1.00 31.43 H new ATOM 0 HG11 VAL A 39 -3.409 -2.741 2.382 1.00 0.43 H new ATOM 0 HG12 VAL A 39 -3.233 -2.130 4.044 1.00 0.43 H new ATOM 0 HG13 VAL A 39 -3.825 -1.052 2.758 1.00 0.43 H new ATOM 0 HG21 VAL A 39 -1.849 -2.007 0.642 1.00 71.43 H new ATOM 0 HG22 VAL A 39 -2.254 -0.308 0.983 1.00 71.43 H new ATOM 0 HG23 VAL A 39 -0.558 -0.844 1.023 1.00 71.43 H new ATOM 585 N TYR A 40 0.452 1.016 2.510 1.00 14.31 N ATOM 586 CA TYR A 40 1.840 1.428 2.308 1.00 23.14 C ATOM 587 C TYR A 40 2.453 1.924 3.610 1.00 52.42 C ATOM 588 O TYR A 40 3.530 1.462 3.990 1.00 53.32 O ATOM 589 CB TYR A 40 1.945 2.513 1.219 1.00 51.23 C ATOM 590 CG TYR A 40 3.363 2.963 0.920 1.00 54.21 C ATOM 591 CD1 TYR A 40 4.169 2.240 0.052 1.00 54.50 C ATOM 592 CD2 TYR A 40 3.893 4.109 1.507 1.00 74.20 C ATOM 593 CE1 TYR A 40 5.458 2.639 -0.222 1.00 34.41 C ATOM 594 CE2 TYR A 40 5.185 4.515 1.235 1.00 33.43 C ATOM 595 CZ TYR A 40 5.962 3.777 0.369 1.00 2.41 C ATOM 596 OH TYR A 40 7.248 4.173 0.095 1.00 23.25 O ATOM 0 H TYR A 40 -0.220 1.493 1.909 1.00 14.31 H new ATOM 0 HA TYR A 40 2.399 0.554 1.973 1.00 23.14 H new ATOM 0 HB2 TYR A 40 1.495 2.134 0.301 1.00 51.23 H new ATOM 0 HB3 TYR A 40 1.359 3.379 1.528 1.00 51.23 H new ATOM 0 HD1 TYR A 40 3.778 1.349 -0.417 1.00 54.50 H new ATOM 0 HD2 TYR A 40 3.285 4.689 2.185 1.00 74.20 H new ATOM 0 HE1 TYR A 40 6.072 2.062 -0.898 1.00 34.41 H new ATOM 0 HE2 TYR A 40 5.584 5.405 1.698 1.00 33.43 H new ATOM 0 HH TYR A 40 7.450 4.994 0.590 1.00 23.25 H new ATOM 606 N ASP A 41 1.745 2.834 4.302 1.00 23.53 N ATOM 607 CA ASP A 41 2.192 3.375 5.611 1.00 42.42 C ATOM 608 C ASP A 41 1.306 4.512 6.050 1.00 43.11 C ATOM 609 O ASP A 41 0.694 4.470 7.119 1.00 63.52 O ATOM 610 CB ASP A 41 3.642 3.899 5.569 1.00 72.43 C ATOM 611 CG ASP A 41 4.102 4.416 6.917 1.00 3.45 C ATOM 612 OD1 ASP A 41 4.569 3.604 7.743 1.00 51.04 O ATOM 613 OD2 ASP A 41 4.007 5.631 7.167 1.00 0.41 O ATOM 0 H ASP A 41 0.856 3.216 3.980 1.00 23.53 H new ATOM 0 HA ASP A 41 2.134 2.544 6.314 1.00 42.42 H new ATOM 0 HB2 ASP A 41 4.306 3.099 5.242 1.00 72.43 H new ATOM 0 HB3 ASP A 41 3.717 4.697 4.831 1.00 72.43 H new ATOM 618 N ASN A 42 1.227 5.520 5.217 1.00 53.33 N ATOM 619 CA ASN A 42 0.497 6.730 5.544 1.00 61.23 C ATOM 620 C ASN A 42 -0.993 6.489 5.266 1.00 22.10 C ATOM 621 O ASN A 42 -1.357 5.504 4.623 1.00 32.31 O ATOM 622 CB ASN A 42 1.048 7.902 4.691 1.00 24.23 C ATOM 623 CG ASN A 42 0.698 9.308 5.208 1.00 62.43 C ATOM 624 OD1 ASN A 42 -0.316 9.536 5.851 1.00 64.12 O ATOM 625 ND2 ASN A 42 1.553 10.254 4.915 1.00 10.10 N ATOM 0 H ASN A 42 1.664 5.530 4.295 1.00 53.33 H new ATOM 0 HA ASN A 42 0.620 6.989 6.596 1.00 61.23 H new ATOM 0 HB2 ASN A 42 2.133 7.812 4.636 1.00 24.23 H new ATOM 0 HB3 ASN A 42 0.668 7.801 3.674 1.00 24.23 H new ATOM 0 HD21 ASN A 42 1.381 11.211 5.225 1.00 10.10 H new ATOM 0 HD22 ASN A 42 2.391 10.035 4.377 1.00 10.10 H new ATOM 632 N TRP A 43 -1.828 7.344 5.751 1.00 31.05 N ATOM 633 CA TRP A 43 -3.241 7.191 5.590 1.00 4.15 C ATOM 634 C TRP A 43 -3.793 8.275 4.655 1.00 31.22 C ATOM 635 O TRP A 43 -3.580 9.466 4.880 1.00 41.04 O ATOM 636 CB TRP A 43 -3.946 7.188 6.974 1.00 3.54 C ATOM 637 CG TRP A 43 -3.663 8.400 7.833 1.00 32.51 C ATOM 638 CD1 TRP A 43 -4.429 9.515 7.946 1.00 61.41 C ATOM 639 CD2 TRP A 43 -2.532 8.605 8.695 1.00 44.05 C ATOM 640 NE1 TRP A 43 -3.851 10.408 8.807 1.00 2.22 N ATOM 641 CE2 TRP A 43 -2.684 9.873 9.285 1.00 54.33 C ATOM 642 CE3 TRP A 43 -1.405 7.841 9.022 1.00 55.13 C ATOM 643 CZ2 TRP A 43 -1.755 10.394 10.180 1.00 2.45 C ATOM 644 CZ3 TRP A 43 -0.486 8.361 9.912 1.00 43.23 C ATOM 645 CH2 TRP A 43 -0.667 9.625 10.481 1.00 33.43 C ATOM 0 H TRP A 43 -1.552 8.175 6.274 1.00 31.05 H new ATOM 0 HA TRP A 43 -3.448 6.228 5.122 1.00 4.15 H new ATOM 0 HB2 TRP A 43 -5.022 7.114 6.818 1.00 3.54 H new ATOM 0 HB3 TRP A 43 -3.641 6.295 7.519 1.00 3.54 H new ATOM 0 HD1 TRP A 43 -5.364 9.675 7.429 1.00 61.41 H new ATOM 0 HE1 TRP A 43 -4.228 11.323 9.053 1.00 2.22 H new ATOM 0 HE3 TRP A 43 -1.257 6.864 8.587 1.00 55.13 H new ATOM 0 HZ2 TRP A 43 -1.889 11.371 10.621 1.00 2.45 H new ATOM 0 HZ3 TRP A 43 0.387 7.781 10.173 1.00 43.23 H new ATOM 0 HH2 TRP A 43 0.070 10.002 11.174 1.00 33.43 H new ATOM 656 N PRO A 44 -4.446 7.861 3.553 1.00 33.32 N ATOM 657 CA PRO A 44 -5.072 8.776 2.596 1.00 24.22 C ATOM 658 C PRO A 44 -5.983 9.842 3.219 1.00 52.04 C ATOM 659 O PRO A 44 -7.134 9.556 3.581 1.00 53.15 O ATOM 660 CB PRO A 44 -5.901 7.865 1.718 1.00 71.14 C ATOM 661 CG PRO A 44 -5.227 6.557 1.767 1.00 62.11 C ATOM 662 CD PRO A 44 -4.549 6.458 3.096 1.00 74.24 C ATOM 0 HA PRO A 44 -4.302 9.350 2.080 1.00 24.22 H new ATOM 0 HB2 PRO A 44 -6.926 7.793 2.083 1.00 71.14 H new ATOM 0 HB3 PRO A 44 -5.952 8.243 0.697 1.00 71.14 H new ATOM 0 HG2 PRO A 44 -5.947 5.748 1.641 1.00 62.11 H new ATOM 0 HG3 PRO A 44 -4.502 6.467 0.958 1.00 62.11 H new ATOM 0 HD2 PRO A 44 -5.127 5.853 3.794 1.00 74.24 H new ATOM 0 HD3 PRO A 44 -3.567 5.994 3.009 1.00 74.24 H new ATOM 670 N MET A 45 -5.444 11.049 3.365 1.00 51.14 N ATOM 671 CA MET A 45 -6.178 12.214 3.878 1.00 21.20 C ATOM 672 C MET A 45 -5.649 13.494 3.255 1.00 54.34 C ATOM 673 O MET A 45 -6.414 14.368 2.863 1.00 14.14 O ATOM 674 CB MET A 45 -6.117 12.326 5.416 1.00 61.45 C ATOM 675 CG MET A 45 -6.859 11.231 6.173 1.00 24.13 C ATOM 676 SD MET A 45 -8.633 11.190 5.811 1.00 73.12 S ATOM 677 CE MET A 45 -9.149 12.810 6.382 1.00 35.54 C ATOM 0 H MET A 45 -4.473 11.254 3.129 1.00 51.14 H new ATOM 0 HA MET A 45 -7.222 12.070 3.599 1.00 21.20 H new ATOM 0 HB2 MET A 45 -5.072 12.315 5.725 1.00 61.45 H new ATOM 0 HB3 MET A 45 -6.527 13.292 5.711 1.00 61.45 H new ATOM 0 HG2 MET A 45 -6.421 10.265 5.923 1.00 24.13 H new ATOM 0 HG3 MET A 45 -6.716 11.378 7.244 1.00 24.13 H new ATOM 0 HE1 MET A 45 -10.233 12.829 6.491 1.00 35.54 H new ATOM 0 HE2 MET A 45 -8.684 13.022 7.345 1.00 35.54 H new ATOM 0 HE3 MET A 45 -8.844 13.565 5.658 1.00 35.54 H new ATOM 687 N ASP A 46 -4.341 13.602 3.178 1.00 70.11 N ATOM 688 CA ASP A 46 -3.684 14.764 2.579 1.00 51.10 C ATOM 689 C ASP A 46 -2.607 14.282 1.654 1.00 44.30 C ATOM 690 O ASP A 46 -2.365 13.078 1.574 1.00 32.31 O ATOM 691 CB ASP A 46 -3.056 15.675 3.650 1.00 52.33 C ATOM 692 CG ASP A 46 -4.063 16.326 4.566 1.00 33.23 C ATOM 693 OD1 ASP A 46 -4.539 17.439 4.251 1.00 2.01 O ATOM 694 OD2 ASP A 46 -4.381 15.754 5.616 1.00 73.00 O ATOM 0 H ASP A 46 -3.695 12.893 3.526 1.00 70.11 H new ATOM 0 HA ASP A 46 -4.433 15.344 2.039 1.00 51.10 H new ATOM 0 HB2 ASP A 46 -2.360 15.088 4.250 1.00 52.33 H new ATOM 0 HB3 ASP A 46 -2.473 16.452 3.156 1.00 52.33 H new ATOM 699 N TRP A 47 -1.953 15.187 0.955 1.00 52.44 N ATOM 700 CA TRP A 47 -0.877 14.799 0.074 1.00 61.15 C ATOM 701 C TRP A 47 0.054 15.963 -0.146 1.00 11.12 C ATOM 702 O TRP A 47 -0.244 17.085 0.249 1.00 1.34 O ATOM 703 CB TRP A 47 -1.408 14.269 -1.289 1.00 31.43 C ATOM 704 CG TRP A 47 -2.004 15.313 -2.216 1.00 64.21 C ATOM 705 CD1 TRP A 47 -1.439 15.786 -3.370 1.00 60.52 C ATOM 706 CD2 TRP A 47 -3.251 16.016 -2.072 1.00 30.54 C ATOM 707 NE1 TRP A 47 -2.257 16.717 -3.953 1.00 70.34 N ATOM 708 CE2 TRP A 47 -3.374 16.878 -3.180 1.00 20.32 C ATOM 709 CE3 TRP A 47 -4.276 15.995 -1.124 1.00 25.12 C ATOM 710 CZ2 TRP A 47 -4.476 17.704 -3.363 1.00 13.32 C ATOM 711 CZ3 TRP A 47 -5.366 16.820 -1.308 1.00 70.01 C ATOM 712 CH2 TRP A 47 -5.459 17.662 -2.418 1.00 50.55 C ATOM 0 H TRP A 47 -2.147 16.188 0.981 1.00 52.44 H new ATOM 0 HA TRP A 47 -0.333 13.985 0.553 1.00 61.15 H new ATOM 0 HB2 TRP A 47 -0.588 13.774 -1.809 1.00 31.43 H new ATOM 0 HB3 TRP A 47 -2.165 13.510 -1.092 1.00 31.43 H new ATOM 0 HD1 TRP A 47 -0.484 15.470 -3.764 1.00 60.52 H new ATOM 0 HE1 TRP A 47 -2.064 17.211 -4.824 1.00 70.34 H new ATOM 0 HE3 TRP A 47 -4.216 15.345 -0.263 1.00 25.12 H new ATOM 0 HZ2 TRP A 47 -4.552 18.355 -4.221 1.00 13.32 H new ATOM 0 HZ3 TRP A 47 -6.163 16.815 -0.579 1.00 70.01 H new ATOM 0 HH2 TRP A 47 -6.328 18.294 -2.531 1.00 50.55 H new ATOM 723 N GLU A 48 1.173 15.690 -0.745 1.00 11.14 N ATOM 724 CA GLU A 48 2.123 16.694 -1.107 1.00 4.02 C ATOM 725 C GLU A 48 2.671 16.266 -2.457 1.00 1.35 C ATOM 726 O GLU A 48 3.364 15.266 -2.557 1.00 64.21 O ATOM 727 CB GLU A 48 3.213 16.798 -0.036 1.00 74.41 C ATOM 728 CG GLU A 48 4.197 17.934 -0.232 1.00 5.53 C ATOM 729 CD GLU A 48 5.184 18.017 0.904 1.00 64.43 C ATOM 730 OE1 GLU A 48 6.227 17.339 0.845 1.00 1.30 O ATOM 731 OE2 GLU A 48 4.929 18.760 1.878 1.00 54.11 O ATOM 0 H GLU A 48 1.456 14.744 -1.000 1.00 11.14 H new ATOM 0 HA GLU A 48 1.681 17.688 -1.176 1.00 4.02 H new ATOM 0 HB2 GLU A 48 2.735 16.915 0.937 1.00 74.41 H new ATOM 0 HB3 GLU A 48 3.766 15.859 -0.009 1.00 74.41 H new ATOM 0 HG2 GLU A 48 4.733 17.794 -1.171 1.00 5.53 H new ATOM 0 HG3 GLU A 48 3.654 18.876 -0.313 1.00 5.53 H new ATOM 738 N GLU A 49 2.303 16.991 -3.476 1.00 61.21 N ATOM 739 CA GLU A 49 2.555 16.608 -4.861 1.00 5.43 C ATOM 740 C GLU A 49 3.936 17.030 -5.382 1.00 40.21 C ATOM 741 O GLU A 49 4.314 18.204 -5.302 1.00 21.03 O ATOM 742 CB GLU A 49 1.367 17.151 -5.721 1.00 2.42 C ATOM 743 CG GLU A 49 1.400 16.936 -7.244 1.00 43.30 C ATOM 744 CD GLU A 49 2.318 17.883 -7.986 1.00 30.34 C ATOM 745 OE1 GLU A 49 1.908 19.029 -8.249 1.00 54.20 O ATOM 746 OE2 GLU A 49 3.425 17.500 -8.333 1.00 71.03 O ATOM 0 H GLU A 49 1.812 17.880 -3.380 1.00 61.21 H new ATOM 0 HA GLU A 49 2.595 15.521 -4.935 1.00 5.43 H new ATOM 0 HB2 GLU A 49 0.451 16.698 -5.343 1.00 2.42 H new ATOM 0 HB3 GLU A 49 1.291 18.223 -5.540 1.00 2.42 H new ATOM 0 HG2 GLU A 49 1.712 15.912 -7.448 1.00 43.30 H new ATOM 0 HG3 GLU A 49 0.389 17.046 -7.637 1.00 43.30 H new ATOM 753 N GLU A 50 4.689 16.049 -5.878 1.00 1.11 N ATOM 754 CA GLU A 50 5.951 16.280 -6.562 1.00 21.02 C ATOM 755 C GLU A 50 5.877 15.685 -7.971 1.00 62.32 C ATOM 756 O GLU A 50 5.088 14.770 -8.218 1.00 21.30 O ATOM 757 CB GLU A 50 7.167 15.652 -5.823 1.00 31.25 C ATOM 758 CG GLU A 50 7.144 14.110 -5.667 1.00 40.21 C ATOM 759 CD GLU A 50 6.139 13.620 -4.671 1.00 45.34 C ATOM 760 OE1 GLU A 50 4.956 13.473 -5.003 1.00 34.24 O ATOM 761 OE2 GLU A 50 6.540 13.375 -3.501 1.00 31.43 O ATOM 0 H GLU A 50 4.434 15.064 -5.813 1.00 1.11 H new ATOM 0 HA GLU A 50 6.104 17.359 -6.591 1.00 21.02 H new ATOM 0 HB2 GLU A 50 8.075 15.930 -6.358 1.00 31.25 H new ATOM 0 HB3 GLU A 50 7.233 16.097 -4.830 1.00 31.25 H new ATOM 0 HG2 GLU A 50 6.931 13.659 -6.636 1.00 40.21 H new ATOM 0 HG3 GLU A 50 8.135 13.769 -5.367 1.00 40.21 H new ATOM 768 N GLN A 51 6.672 16.236 -8.894 1.00 63.34 N ATOM 769 CA GLN A 51 6.798 15.726 -10.278 1.00 61.11 C ATOM 770 C GLN A 51 5.484 15.749 -11.072 1.00 41.43 C ATOM 771 O GLN A 51 5.326 14.998 -12.046 1.00 15.31 O ATOM 772 CB GLN A 51 7.433 14.330 -10.307 1.00 40.42 C ATOM 773 CG GLN A 51 8.864 14.301 -9.792 1.00 14.45 C ATOM 774 CD GLN A 51 9.508 12.940 -9.921 1.00 25.35 C ATOM 775 OE1 GLN A 51 9.182 12.156 -10.825 1.00 60.12 O ATOM 776 NE2 GLN A 51 10.424 12.647 -9.053 1.00 53.20 N ATOM 0 H GLN A 51 7.253 17.054 -8.708 1.00 63.34 H new ATOM 0 HA GLN A 51 7.466 16.424 -10.783 1.00 61.11 H new ATOM 0 HB2 GLN A 51 6.826 13.651 -9.707 1.00 40.42 H new ATOM 0 HB3 GLN A 51 7.416 13.953 -11.330 1.00 40.42 H new ATOM 0 HG2 GLN A 51 9.457 15.032 -10.342 1.00 14.45 H new ATOM 0 HG3 GLN A 51 8.874 14.604 -8.745 1.00 14.45 H new ATOM 0 HE21 GLN A 51 10.667 13.316 -8.322 1.00 53.20 H new ATOM 0 HE22 GLN A 51 10.902 11.747 -9.100 1.00 53.20 H new ATOM 785 N VAL A 52 4.567 16.633 -10.675 1.00 74.50 N ATOM 786 CA VAL A 52 3.289 16.845 -11.370 1.00 52.12 C ATOM 787 C VAL A 52 2.404 15.587 -11.203 1.00 62.42 C ATOM 788 O VAL A 52 1.668 15.174 -12.113 1.00 5.23 O ATOM 789 CB VAL A 52 3.512 17.223 -12.897 1.00 63.31 C ATOM 790 CG1 VAL A 52 2.204 17.606 -13.598 1.00 12.35 C ATOM 791 CG2 VAL A 52 4.519 18.362 -13.029 1.00 53.31 C ATOM 0 H VAL A 52 4.688 17.228 -9.856 1.00 74.50 H new ATOM 0 HA VAL A 52 2.773 17.694 -10.921 1.00 52.12 H new ATOM 0 HB VAL A 52 3.904 16.332 -13.387 1.00 63.31 H new ATOM 0 HG11 VAL A 52 2.409 17.856 -14.639 1.00 12.35 H new ATOM 0 HG12 VAL A 52 1.510 16.767 -13.556 1.00 12.35 H new ATOM 0 HG13 VAL A 52 1.762 18.468 -13.098 1.00 12.35 H new ATOM 0 HG21 VAL A 52 4.657 18.605 -14.082 1.00 53.31 H new ATOM 0 HG22 VAL A 52 4.147 19.239 -12.500 1.00 53.31 H new ATOM 0 HG23 VAL A 52 5.473 18.056 -12.599 1.00 53.31 H new ATOM 801 N SER A 53 2.461 15.005 -10.012 1.00 10.50 N ATOM 802 CA SER A 53 1.668 13.833 -9.700 1.00 21.22 C ATOM 803 C SER A 53 0.169 14.089 -9.810 1.00 11.40 C ATOM 804 O SER A 53 -0.455 14.745 -8.967 1.00 5.35 O ATOM 805 CB SER A 53 2.048 13.231 -8.362 1.00 10.14 C ATOM 806 OG SER A 53 3.386 12.754 -8.393 1.00 25.11 O ATOM 0 H SER A 53 3.052 15.330 -9.247 1.00 10.50 H new ATOM 0 HA SER A 53 1.905 13.091 -10.462 1.00 21.22 H new ATOM 0 HB2 SER A 53 1.940 13.979 -7.576 1.00 10.14 H new ATOM 0 HB3 SER A 53 1.370 12.413 -8.119 1.00 10.14 H new ATOM 0 HG SER A 53 4.004 13.514 -8.410 1.00 25.11 H new ATOM 812 N SER A 54 -0.377 13.579 -10.870 1.00 33.41 N ATOM 813 CA SER A 54 -1.758 13.720 -11.202 1.00 32.30 C ATOM 814 C SER A 54 -2.450 12.356 -10.943 1.00 22.04 C ATOM 815 O SER A 54 -1.784 11.440 -10.463 1.00 15.22 O ATOM 816 CB SER A 54 -1.799 14.101 -12.686 1.00 51.51 C ATOM 817 OG SER A 54 -0.987 15.247 -12.922 1.00 33.32 O ATOM 0 H SER A 54 0.148 13.033 -11.553 1.00 33.41 H new ATOM 0 HA SER A 54 -2.272 14.478 -10.611 1.00 32.30 H new ATOM 0 HB2 SER A 54 -1.448 13.266 -13.293 1.00 51.51 H new ATOM 0 HB3 SER A 54 -2.826 14.305 -12.988 1.00 51.51 H new ATOM 0 HG SER A 54 -0.050 15.028 -12.735 1.00 33.32 H new ATOM 823 N PRO A 55 -3.787 12.178 -11.252 1.00 3.32 N ATOM 824 CA PRO A 55 -4.492 10.863 -11.095 1.00 11.32 C ATOM 825 C PRO A 55 -3.749 9.705 -11.793 1.00 24.34 C ATOM 826 O PRO A 55 -3.995 8.527 -11.524 1.00 34.24 O ATOM 827 CB PRO A 55 -5.813 11.104 -11.800 1.00 12.03 C ATOM 828 CG PRO A 55 -6.072 12.555 -11.624 1.00 52.52 C ATOM 829 CD PRO A 55 -4.735 13.225 -11.723 1.00 61.43 C ATOM 0 HA PRO A 55 -4.574 10.571 -10.048 1.00 11.32 H new ATOM 0 HB2 PRO A 55 -5.754 10.837 -12.855 1.00 12.03 H new ATOM 0 HB3 PRO A 55 -6.611 10.503 -11.363 1.00 12.03 H new ATOM 0 HG2 PRO A 55 -6.753 12.926 -12.390 1.00 52.52 H new ATOM 0 HG3 PRO A 55 -6.539 12.754 -10.659 1.00 52.52 H new ATOM 0 HD2 PRO A 55 -4.516 13.535 -12.745 1.00 61.43 H new ATOM 0 HD3 PRO A 55 -4.687 14.119 -11.102 1.00 61.43 H new ATOM 837 N ASN A 56 -2.836 10.078 -12.678 1.00 62.21 N ATOM 838 CA ASN A 56 -1.992 9.173 -13.459 1.00 71.15 C ATOM 839 C ASN A 56 -1.200 8.230 -12.561 1.00 34.53 C ATOM 840 O ASN A 56 -0.808 7.144 -12.987 1.00 31.42 O ATOM 841 CB ASN A 56 -0.995 9.992 -14.282 1.00 71.44 C ATOM 842 CG ASN A 56 -1.653 10.949 -15.244 1.00 64.13 C ATOM 843 OD1 ASN A 56 -2.736 10.690 -15.770 1.00 72.44 O ATOM 844 ND2 ASN A 56 -1.019 12.070 -15.465 1.00 20.42 N ATOM 0 H ASN A 56 -2.652 11.060 -12.883 1.00 62.21 H new ATOM 0 HA ASN A 56 -2.646 8.585 -14.103 1.00 71.15 H new ATOM 0 HB2 ASN A 56 -0.352 10.554 -13.605 1.00 71.44 H new ATOM 0 HB3 ASN A 56 -0.352 9.312 -14.841 1.00 71.44 H new ATOM 0 HD21 ASN A 56 -1.420 12.767 -16.092 1.00 20.42 H new ATOM 0 HD22 ASN A 56 -0.123 12.248 -15.010 1.00 20.42 H new ATOM 851 N ILE A 57 -0.989 8.630 -11.327 1.00 24.42 N ATOM 852 CA ILE A 57 -0.219 7.845 -10.387 1.00 2.54 C ATOM 853 C ILE A 57 -1.027 6.659 -9.806 1.00 55.15 C ATOM 854 O ILE A 57 -0.464 5.775 -9.152 1.00 51.30 O ATOM 855 CB ILE A 57 0.397 8.757 -9.257 1.00 21.42 C ATOM 856 CG1 ILE A 57 -0.677 9.479 -8.397 1.00 74.30 C ATOM 857 CG2 ILE A 57 1.312 9.802 -9.876 1.00 15.32 C ATOM 858 CD1 ILE A 57 -1.376 8.626 -7.361 1.00 73.05 C ATOM 0 H ILE A 57 -1.345 9.507 -10.947 1.00 24.42 H new ATOM 0 HA ILE A 57 0.610 7.402 -10.939 1.00 2.54 H new ATOM 0 HB ILE A 57 0.953 8.092 -8.596 1.00 21.42 H new ATOM 0 HG12 ILE A 57 -0.203 10.319 -7.889 1.00 74.30 H new ATOM 0 HG13 ILE A 57 -1.431 9.895 -9.066 1.00 74.30 H new ATOM 0 HG21 ILE A 57 1.734 10.428 -9.090 1.00 15.32 H new ATOM 0 HG22 ILE A 57 2.118 9.306 -10.416 1.00 15.32 H new ATOM 0 HG23 ILE A 57 0.741 10.422 -10.567 1.00 15.32 H new ATOM 0 HD11 ILE A 57 -2.103 9.232 -6.821 1.00 73.05 H new ATOM 0 HD12 ILE A 57 -1.888 7.800 -7.855 1.00 73.05 H new ATOM 0 HD13 ILE A 57 -0.641 8.230 -6.660 1.00 73.05 H new ATOM 870 N LEU A 58 -2.336 6.656 -10.052 1.00 1.53 N ATOM 871 CA LEU A 58 -3.222 5.610 -9.551 1.00 12.21 C ATOM 872 C LEU A 58 -3.377 4.476 -10.547 1.00 60.22 C ATOM 873 O LEU A 58 -3.871 4.675 -11.668 1.00 32.23 O ATOM 874 CB LEU A 58 -4.608 6.180 -9.200 1.00 61.41 C ATOM 875 CG LEU A 58 -4.665 7.176 -8.043 1.00 73.32 C ATOM 876 CD1 LEU A 58 -6.076 7.720 -7.882 1.00 1.01 C ATOM 877 CD2 LEU A 58 -4.214 6.509 -6.748 1.00 51.34 C ATOM 0 H LEU A 58 -2.809 7.374 -10.601 1.00 1.53 H new ATOM 0 HA LEU A 58 -2.759 5.213 -8.648 1.00 12.21 H new ATOM 0 HB2 LEU A 58 -5.011 6.666 -10.088 1.00 61.41 H new ATOM 0 HB3 LEU A 58 -5.270 5.346 -8.965 1.00 61.41 H new ATOM 0 HG LEU A 58 -3.992 8.004 -8.267 1.00 73.32 H new ATOM 0 HD11 LEU A 58 -6.101 8.428 -7.054 1.00 1.01 H new ATOM 0 HD12 LEU A 58 -6.378 8.224 -8.800 1.00 1.01 H new ATOM 0 HD13 LEU A 58 -6.762 6.898 -7.677 1.00 1.01 H new ATOM 0 HD21 LEU A 58 -4.260 7.230 -5.932 1.00 51.34 H new ATOM 0 HD22 LEU A 58 -4.869 5.667 -6.525 1.00 51.34 H new ATOM 0 HD23 LEU A 58 -3.190 6.152 -6.860 1.00 51.34 H new ATOM 889 N ARG A 59 -2.928 3.309 -10.145 1.00 42.21 N ATOM 890 CA ARG A 59 -3.054 2.085 -10.905 1.00 22.30 C ATOM 891 C ARG A 59 -3.266 0.947 -9.942 1.00 22.45 C ATOM 892 O ARG A 59 -3.033 1.100 -8.734 1.00 50.32 O ATOM 893 CB ARG A 59 -1.784 1.758 -11.663 1.00 61.21 C ATOM 894 CG ARG A 59 -1.356 2.691 -12.775 1.00 11.42 C ATOM 895 CD ARG A 59 -2.380 2.783 -13.890 1.00 62.54 C ATOM 896 NE ARG A 59 -1.858 3.584 -15.006 1.00 12.01 N ATOM 897 CZ ARG A 59 -2.500 3.840 -16.154 1.00 4.11 C ATOM 898 NH1 ARG A 59 -3.738 3.392 -16.356 1.00 70.51 N ATOM 899 NH2 ARG A 59 -1.893 4.538 -17.093 1.00 31.12 N ATOM 0 H ARG A 59 -2.450 3.181 -9.253 1.00 42.21 H new ATOM 0 HA ARG A 59 -3.880 2.217 -11.604 1.00 22.30 H new ATOM 0 HB2 ARG A 59 -0.969 1.705 -10.941 1.00 61.21 H new ATOM 0 HB3 ARG A 59 -1.898 0.761 -12.090 1.00 61.21 H new ATOM 0 HG2 ARG A 59 -1.184 3.685 -12.363 1.00 11.42 H new ATOM 0 HG3 ARG A 59 -0.407 2.347 -13.187 1.00 11.42 H new ATOM 0 HD2 ARG A 59 -2.635 1.783 -14.241 1.00 62.54 H new ATOM 0 HD3 ARG A 59 -3.299 3.232 -13.512 1.00 62.54 H new ATOM 0 HE ARG A 59 -0.924 3.980 -14.897 1.00 12.01 H new ATOM 0 HH11 ARG A 59 -4.208 2.848 -15.633 1.00 70.51 H new ATOM 0 HH12 ARG A 59 -4.216 3.593 -17.234 1.00 70.51 H new ATOM 0 HH21 ARG A 59 -0.943 4.878 -16.942 1.00 31.12 H new ATOM 0 HH22 ARG A 59 -2.373 4.738 -17.970 1.00 31.12 H new ATOM 913 N LEU A 60 -3.714 -0.170 -10.449 1.00 75.11 N ATOM 914 CA LEU A 60 -3.804 -1.365 -9.666 1.00 31.21 C ATOM 915 C LEU A 60 -3.555 -2.558 -10.544 1.00 13.42 C ATOM 916 O LEU A 60 -3.865 -2.533 -11.737 1.00 0.40 O ATOM 917 CB LEU A 60 -5.146 -1.467 -8.900 1.00 41.12 C ATOM 918 CG LEU A 60 -6.463 -1.554 -9.699 1.00 73.05 C ATOM 919 CD1 LEU A 60 -6.657 -2.902 -10.386 1.00 4.04 C ATOM 920 CD2 LEU A 60 -7.610 -1.271 -8.798 1.00 15.53 C ATOM 0 H LEU A 60 -4.025 -0.274 -11.415 1.00 75.11 H new ATOM 0 HA LEU A 60 -3.033 -1.334 -8.896 1.00 31.21 H new ATOM 0 HB2 LEU A 60 -5.092 -2.347 -8.259 1.00 41.12 H new ATOM 0 HB3 LEU A 60 -5.217 -0.599 -8.244 1.00 41.12 H new ATOM 0 HG LEU A 60 -6.409 -0.806 -10.490 1.00 73.05 H new ATOM 0 HD11 LEU A 60 -7.601 -2.900 -10.931 1.00 4.04 H new ATOM 0 HD12 LEU A 60 -5.836 -3.077 -11.082 1.00 4.04 H new ATOM 0 HD13 LEU A 60 -6.673 -3.693 -9.637 1.00 4.04 H new ATOM 0 HD21 LEU A 60 -8.540 -1.333 -9.363 1.00 15.53 H new ATOM 0 HD22 LEU A 60 -7.627 -2.002 -7.990 1.00 15.53 H new ATOM 0 HD23 LEU A 60 -7.505 -0.270 -8.379 1.00 15.53 H new ATOM 932 N ILE A 61 -2.992 -3.569 -9.981 1.00 44.42 N ATOM 933 CA ILE A 61 -2.714 -4.782 -10.681 1.00 54.40 C ATOM 934 C ILE A 61 -3.479 -5.897 -10.031 1.00 23.44 C ATOM 935 O ILE A 61 -3.391 -6.102 -8.814 1.00 74.23 O ATOM 936 CB ILE A 61 -1.208 -5.107 -10.615 1.00 44.00 C ATOM 937 CG1 ILE A 61 -0.406 -3.996 -11.261 1.00 22.22 C ATOM 938 CG2 ILE A 61 -0.893 -6.448 -11.271 1.00 65.43 C ATOM 939 CD1 ILE A 61 1.088 -4.141 -11.097 1.00 50.23 C ATOM 0 H ILE A 61 -2.705 -3.580 -9.002 1.00 44.42 H new ATOM 0 HA ILE A 61 -3.008 -4.669 -11.725 1.00 54.40 H new ATOM 0 HB ILE A 61 -0.927 -5.183 -9.565 1.00 44.00 H new ATOM 0 HG12 ILE A 61 -0.643 -3.962 -12.324 1.00 22.22 H new ATOM 0 HG13 ILE A 61 -0.717 -3.042 -10.835 1.00 22.22 H new ATOM 0 HG21 ILE A 61 0.177 -6.643 -11.205 1.00 65.43 H new ATOM 0 HG22 ILE A 61 -1.438 -7.241 -10.759 1.00 65.43 H new ATOM 0 HG23 ILE A 61 -1.193 -6.420 -12.319 1.00 65.43 H new ATOM 0 HD11 ILE A 61 1.590 -3.307 -11.587 1.00 50.23 H new ATOM 0 HD12 ILE A 61 1.339 -4.143 -10.036 1.00 50.23 H new ATOM 0 HD13 ILE A 61 1.414 -5.077 -11.549 1.00 50.23 H new ATOM 951 N TYR A 62 -4.179 -6.642 -10.809 1.00 2.44 N ATOM 952 CA TYR A 62 -4.911 -7.735 -10.282 1.00 71.23 C ATOM 953 C TYR A 62 -4.096 -8.953 -10.552 1.00 21.11 C ATOM 954 O TYR A 62 -4.243 -9.634 -11.565 1.00 63.30 O ATOM 955 CB TYR A 62 -6.342 -7.802 -10.863 1.00 4.21 C ATOM 956 CG TYR A 62 -7.261 -8.902 -10.316 1.00 73.12 C ATOM 957 CD1 TYR A 62 -7.117 -9.403 -9.026 1.00 45.51 C ATOM 958 CD2 TYR A 62 -8.290 -9.418 -11.102 1.00 74.41 C ATOM 959 CE1 TYR A 62 -7.965 -10.386 -8.545 1.00 63.31 C ATOM 960 CE2 TYR A 62 -9.143 -10.394 -10.628 1.00 14.02 C ATOM 961 CZ TYR A 62 -8.975 -10.877 -9.351 1.00 15.14 C ATOM 962 OH TYR A 62 -9.819 -11.852 -8.877 1.00 20.33 O ATOM 0 H TYR A 62 -4.260 -6.513 -11.818 1.00 2.44 H new ATOM 0 HA TYR A 62 -5.070 -7.632 -9.209 1.00 71.23 H new ATOM 0 HB2 TYR A 62 -6.824 -6.840 -10.690 1.00 4.21 H new ATOM 0 HB3 TYR A 62 -6.264 -7.930 -11.943 1.00 4.21 H new ATOM 0 HD1 TYR A 62 -6.332 -9.020 -8.391 1.00 45.51 H new ATOM 0 HD2 TYR A 62 -8.423 -9.045 -12.107 1.00 74.41 H new ATOM 0 HE1 TYR A 62 -7.838 -10.768 -7.543 1.00 63.31 H new ATOM 0 HE2 TYR A 62 -9.936 -10.775 -11.254 1.00 14.02 H new ATOM 0 HH TYR A 62 -10.749 -11.572 -9.008 1.00 20.33 H new ATOM 972 N GLN A 63 -3.144 -9.106 -9.651 1.00 45.25 N ATOM 973 CA GLN A 63 -2.125 -10.085 -9.589 1.00 12.52 C ATOM 974 C GLN A 63 -1.147 -10.146 -10.804 1.00 53.05 C ATOM 975 O GLN A 63 0.052 -10.336 -10.609 1.00 31.11 O ATOM 976 CB GLN A 63 -2.660 -11.393 -9.108 1.00 50.32 C ATOM 977 CG GLN A 63 -1.600 -12.297 -8.588 1.00 11.13 C ATOM 978 CD GLN A 63 -1.092 -13.305 -9.578 1.00 62.23 C ATOM 979 OE1 GLN A 63 -1.822 -13.746 -10.467 1.00 1.05 O ATOM 980 NE2 GLN A 63 0.145 -13.677 -9.442 1.00 61.03 N ATOM 0 H GLN A 63 -3.077 -8.462 -8.863 1.00 45.25 H new ATOM 0 HA GLN A 63 -1.431 -9.743 -8.822 1.00 12.52 H new ATOM 0 HB2 GLN A 63 -3.394 -11.213 -8.322 1.00 50.32 H new ATOM 0 HB3 GLN A 63 -3.184 -11.888 -9.926 1.00 50.32 H new ATOM 0 HG2 GLN A 63 -0.761 -11.691 -8.245 1.00 11.13 H new ATOM 0 HG3 GLN A 63 -1.988 -12.827 -7.718 1.00 11.13 H new ATOM 0 HE21 GLN A 63 0.715 -13.287 -8.692 1.00 61.03 H new ATOM 0 HE22 GLN A 63 0.546 -14.359 -10.086 1.00 61.03 H new ATOM 989 N GLY A 64 -1.641 -9.962 -12.008 1.00 71.31 N ATOM 990 CA GLY A 64 -0.776 -9.959 -13.174 1.00 73.33 C ATOM 991 C GLY A 64 -0.924 -8.693 -14.012 1.00 13.43 C ATOM 992 O GLY A 64 0.062 -8.016 -14.307 1.00 21.22 O ATOM 0 H GLY A 64 -2.630 -9.813 -12.208 1.00 71.31 H new ATOM 0 HA2 GLY A 64 0.261 -10.058 -12.853 1.00 73.33 H new ATOM 0 HA3 GLY A 64 -1.003 -10.828 -13.792 1.00 73.33 H new ATOM 996 N ARG A 65 -2.152 -8.362 -14.375 1.00 14.42 N ATOM 997 CA ARG A 65 -2.415 -7.189 -15.217 1.00 54.44 C ATOM 998 C ARG A 65 -3.104 -6.030 -14.493 1.00 70.41 C ATOM 999 O ARG A 65 -3.703 -6.217 -13.429 1.00 3.15 O ATOM 1000 CB ARG A 65 -3.132 -7.552 -16.546 1.00 62.40 C ATOM 1001 CG ARG A 65 -4.297 -8.566 -16.474 1.00 24.21 C ATOM 1002 CD ARG A 65 -5.367 -8.232 -15.445 1.00 55.34 C ATOM 1003 NE ARG A 65 -6.520 -9.149 -15.542 1.00 60.45 N ATOM 1004 CZ ARG A 65 -6.917 -10.045 -14.604 1.00 32.22 C ATOM 1005 NH1 ARG A 65 -6.172 -10.296 -13.543 1.00 41.43 N ATOM 1006 NH2 ARG A 65 -8.041 -10.715 -14.767 1.00 74.10 N ATOM 0 H ARG A 65 -2.986 -8.883 -14.105 1.00 14.42 H new ATOM 0 HA ARG A 65 -1.424 -6.816 -15.475 1.00 54.44 H new ATOM 0 HB2 ARG A 65 -3.515 -6.630 -16.984 1.00 62.40 H new ATOM 0 HB3 ARG A 65 -2.385 -7.946 -17.235 1.00 62.40 H new ATOM 0 HG2 ARG A 65 -4.765 -8.632 -17.456 1.00 24.21 H new ATOM 0 HG3 ARG A 65 -3.890 -9.551 -16.248 1.00 24.21 H new ATOM 0 HD2 ARG A 65 -4.940 -8.288 -14.444 1.00 55.34 H new ATOM 0 HD3 ARG A 65 -5.704 -7.206 -15.590 1.00 55.34 H new ATOM 0 HE ARG A 65 -7.072 -9.104 -16.398 1.00 60.45 H new ATOM 0 HH11 ARG A 65 -5.282 -9.813 -13.419 1.00 41.43 H new ATOM 0 HH12 ARG A 65 -6.486 -10.973 -12.848 1.00 41.43 H new ATOM 0 HH21 ARG A 65 -8.612 -10.559 -15.598 1.00 74.10 H new ATOM 0 HH22 ARG A 65 -8.340 -11.389 -14.062 1.00 74.10 H new ATOM 1020 N PHE A 66 -3.028 -4.845 -15.096 1.00 74.22 N ATOM 1021 CA PHE A 66 -3.613 -3.628 -14.538 1.00 22.21 C ATOM 1022 C PHE A 66 -5.056 -3.537 -15.024 1.00 54.34 C ATOM 1023 O PHE A 66 -5.293 -3.386 -16.217 1.00 11.01 O ATOM 1024 CB PHE A 66 -2.846 -2.371 -15.055 1.00 33.34 C ATOM 1025 CG PHE A 66 -1.344 -2.380 -14.849 1.00 31.33 C ATOM 1026 CD1 PHE A 66 -0.517 -3.057 -15.733 1.00 42.13 C ATOM 1027 CD2 PHE A 66 -0.763 -1.695 -13.793 1.00 4.33 C ATOM 1028 CE1 PHE A 66 0.850 -3.059 -15.567 1.00 22.02 C ATOM 1029 CE2 PHE A 66 0.610 -1.692 -13.628 1.00 13.53 C ATOM 1030 CZ PHE A 66 1.415 -2.375 -14.514 1.00 44.32 C ATOM 0 H PHE A 66 -2.557 -4.702 -15.989 1.00 74.22 H new ATOM 0 HA PHE A 66 -3.556 -3.662 -13.450 1.00 22.21 H new ATOM 0 HB2 PHE A 66 -3.046 -2.260 -16.121 1.00 33.34 H new ATOM 0 HB3 PHE A 66 -3.256 -1.490 -14.560 1.00 33.34 H new ATOM 0 HD1 PHE A 66 -0.952 -3.591 -16.565 1.00 42.13 H new ATOM 0 HD2 PHE A 66 -1.388 -1.159 -13.094 1.00 4.33 H new ATOM 0 HE1 PHE A 66 1.478 -3.596 -16.262 1.00 22.02 H new ATOM 0 HE2 PHE A 66 1.052 -1.153 -12.803 1.00 13.53 H new ATOM 0 HZ PHE A 66 2.487 -2.374 -14.383 1.00 44.32 H new ATOM 1040 N LEU A 67 -6.015 -3.651 -14.126 1.00 24.44 N ATOM 1041 CA LEU A 67 -7.424 -3.595 -14.566 1.00 24.14 C ATOM 1042 C LEU A 67 -7.897 -2.186 -14.787 1.00 11.23 C ATOM 1043 O LEU A 67 -8.464 -1.871 -15.819 1.00 31.05 O ATOM 1044 CB LEU A 67 -8.362 -4.262 -13.572 1.00 21.05 C ATOM 1045 CG LEU A 67 -8.226 -5.757 -13.376 1.00 32.21 C ATOM 1046 CD1 LEU A 67 -9.227 -6.208 -12.349 1.00 51.51 C ATOM 1047 CD2 LEU A 67 -8.466 -6.489 -14.680 1.00 32.33 C ATOM 0 H LEU A 67 -5.871 -3.778 -13.124 1.00 24.44 H new ATOM 0 HA LEU A 67 -7.450 -4.137 -15.511 1.00 24.14 H new ATOM 0 HB2 LEU A 67 -8.222 -3.782 -12.603 1.00 21.05 H new ATOM 0 HB3 LEU A 67 -9.385 -4.056 -13.885 1.00 21.05 H new ATOM 0 HG LEU A 67 -7.215 -5.983 -13.036 1.00 32.21 H new ATOM 0 HD11 LEU A 67 -9.137 -7.284 -12.201 1.00 51.51 H new ATOM 0 HD12 LEU A 67 -9.037 -5.695 -11.406 1.00 51.51 H new ATOM 0 HD13 LEU A 67 -10.234 -5.973 -12.694 1.00 51.51 H new ATOM 0 HD21 LEU A 67 -8.364 -7.562 -14.519 1.00 32.33 H new ATOM 0 HD22 LEU A 67 -9.471 -6.270 -15.040 1.00 32.33 H new ATOM 0 HD23 LEU A 67 -7.736 -6.162 -15.420 1.00 32.33 H new ATOM 1059 N HIS A 68 -7.641 -1.343 -13.822 1.00 13.43 N ATOM 1060 CA HIS A 68 -8.080 0.041 -13.838 1.00 45.32 C ATOM 1061 C HIS A 68 -7.233 0.825 -12.881 1.00 64.31 C ATOM 1062 O HIS A 68 -6.359 0.259 -12.219 1.00 33.23 O ATOM 1063 CB HIS A 68 -9.572 0.180 -13.413 1.00 42.03 C ATOM 1064 CG HIS A 68 -10.598 -0.303 -14.413 1.00 20.22 C ATOM 1065 ND1 HIS A 68 -11.225 -1.540 -14.349 1.00 62.32 N ATOM 1066 CD2 HIS A 68 -11.120 0.309 -15.495 1.00 1.43 C ATOM 1067 CE1 HIS A 68 -12.072 -1.646 -15.348 1.00 23.12 C ATOM 1068 NE2 HIS A 68 -12.027 -0.545 -16.050 1.00 2.12 N ATOM 0 H HIS A 68 -7.114 -1.596 -12.986 1.00 13.43 H new ATOM 0 HA HIS A 68 -7.980 0.417 -14.856 1.00 45.32 H new ATOM 0 HB2 HIS A 68 -9.716 -0.369 -12.482 1.00 42.03 H new ATOM 0 HB3 HIS A 68 -9.771 1.230 -13.198 1.00 42.03 H new ATOM 0 HD2 HIS A 68 -10.866 1.295 -15.856 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.700 -2.500 -15.554 1.00 23.12 H new ATOM 0 HE2 HIS A 68 -12.583 -0.354 -16.883 1.00 2.12 H new ATOM 1077 N GLY A 69 -7.475 2.110 -12.809 1.00 60.31 N ATOM 1078 CA GLY A 69 -6.768 2.946 -11.874 1.00 43.21 C ATOM 1079 C GLY A 69 -7.416 2.960 -10.496 1.00 71.22 C ATOM 1080 O GLY A 69 -6.900 3.584 -9.582 1.00 13.33 O ATOM 0 H GLY A 69 -8.157 2.600 -13.388 1.00 60.31 H new ATOM 0 HA2 GLY A 69 -5.740 2.596 -11.784 1.00 43.21 H new ATOM 0 HA3 GLY A 69 -6.726 3.964 -12.262 1.00 43.21 H new ATOM 1084 N ASN A 70 -8.568 2.283 -10.378 1.00 14.23 N ATOM 1085 CA ASN A 70 -9.323 2.148 -9.140 1.00 44.13 C ATOM 1086 C ASN A 70 -10.623 1.408 -9.395 1.00 32.41 C ATOM 1087 O ASN A 70 -11.681 2.018 -9.624 1.00 10.24 O ATOM 1088 CB ASN A 70 -9.677 3.463 -8.465 1.00 2.44 C ATOM 1089 CG ASN A 70 -10.352 3.189 -7.138 1.00 51.12 C ATOM 1090 OD1 ASN A 70 -10.006 2.227 -6.453 1.00 54.25 O ATOM 1091 ND2 ASN A 70 -11.359 3.962 -6.802 1.00 34.33 N ATOM 0 H ASN A 70 -9.005 1.805 -11.166 1.00 14.23 H new ATOM 0 HA ASN A 70 -8.658 1.601 -8.472 1.00 44.13 H new ATOM 0 HB2 ASN A 70 -8.777 4.058 -8.310 1.00 2.44 H new ATOM 0 HB3 ASN A 70 -10.338 4.046 -9.107 1.00 2.44 H new ATOM 0 HD21 ASN A 70 -11.884 3.774 -5.948 1.00 34.33 H new ATOM 0 HD22 ASN A 70 -11.617 4.751 -7.395 1.00 34.33 H new ATOM 1098 N VAL A 71 -10.527 0.142 -9.479 1.00 24.42 N ATOM 1099 CA VAL A 71 -11.671 -0.703 -9.560 1.00 64.14 C ATOM 1100 C VAL A 71 -11.839 -1.352 -8.185 1.00 41.21 C ATOM 1101 O VAL A 71 -10.835 -1.588 -7.497 1.00 42.01 O ATOM 1102 CB VAL A 71 -11.576 -1.735 -10.747 1.00 34.15 C ATOM 1103 CG1 VAL A 71 -10.397 -2.667 -10.641 1.00 13.11 C ATOM 1104 CG2 VAL A 71 -12.852 -2.502 -10.935 1.00 23.52 C ATOM 0 H VAL A 71 -9.638 -0.357 -9.495 1.00 24.42 H new ATOM 0 HA VAL A 71 -12.565 -0.127 -9.800 1.00 64.14 H new ATOM 0 HB VAL A 71 -11.413 -1.129 -11.638 1.00 34.15 H new ATOM 0 HG11 VAL A 71 -10.395 -3.349 -11.491 1.00 13.11 H new ATOM 0 HG12 VAL A 71 -9.474 -2.087 -10.639 1.00 13.11 H new ATOM 0 HG13 VAL A 71 -10.468 -3.240 -9.716 1.00 13.11 H new ATOM 0 HG21 VAL A 71 -12.738 -3.200 -11.764 1.00 23.52 H new ATOM 0 HG22 VAL A 71 -13.082 -3.055 -10.024 1.00 23.52 H new ATOM 0 HG23 VAL A 71 -13.664 -1.809 -11.154 1.00 23.52 H new ATOM 1114 N THR A 72 -13.046 -1.595 -7.764 1.00 41.32 N ATOM 1115 CA THR A 72 -13.264 -2.132 -6.443 1.00 64.30 C ATOM 1116 C THR A 72 -12.990 -3.623 -6.396 1.00 1.10 C ATOM 1117 O THR A 72 -13.024 -4.305 -7.427 1.00 41.35 O ATOM 1118 CB THR A 72 -14.685 -1.832 -5.939 1.00 13.14 C ATOM 1119 OG1 THR A 72 -15.650 -2.297 -6.890 1.00 22.12 O ATOM 1120 CG2 THR A 72 -14.870 -0.347 -5.702 1.00 44.22 C ATOM 0 H THR A 72 -13.893 -1.433 -8.309 1.00 41.32 H new ATOM 0 HA THR A 72 -12.557 -1.636 -5.778 1.00 64.30 H new ATOM 0 HB THR A 72 -14.831 -2.353 -4.993 1.00 13.14 H new ATOM 0 HG1 THR A 72 -16.553 -2.104 -6.561 1.00 22.12 H new ATOM 0 HG21 THR A 72 -15.883 -0.159 -5.346 1.00 44.22 H new ATOM 0 HG22 THR A 72 -14.153 -0.006 -4.955 1.00 44.22 H new ATOM 0 HG23 THR A 72 -14.707 0.193 -6.635 1.00 44.22 H new ATOM 1128 N LEU A 73 -12.722 -4.126 -5.208 1.00 32.53 N ATOM 1129 CA LEU A 73 -12.398 -5.514 -5.026 1.00 23.54 C ATOM 1130 C LEU A 73 -13.599 -6.405 -5.352 1.00 3.14 C ATOM 1131 O LEU A 73 -13.451 -7.498 -5.889 1.00 23.04 O ATOM 1132 CB LEU A 73 -11.898 -5.776 -3.607 1.00 31.20 C ATOM 1133 CG LEU A 73 -10.672 -4.978 -3.123 1.00 4.30 C ATOM 1134 CD1 LEU A 73 -9.551 -4.985 -4.133 1.00 51.24 C ATOM 1135 CD2 LEU A 73 -11.020 -3.573 -2.667 1.00 60.32 C ATOM 0 H LEU A 73 -12.724 -3.580 -4.347 1.00 32.53 H new ATOM 0 HA LEU A 73 -11.595 -5.764 -5.719 1.00 23.54 H new ATOM 0 HB2 LEU A 73 -12.720 -5.578 -2.919 1.00 31.20 H new ATOM 0 HB3 LEU A 73 -11.662 -6.837 -3.525 1.00 31.20 H new ATOM 0 HG LEU A 73 -10.307 -5.500 -2.239 1.00 4.30 H new ATOM 0 HD11 LEU A 73 -8.710 -4.410 -3.747 1.00 51.24 H new ATOM 0 HD12 LEU A 73 -9.234 -6.011 -4.318 1.00 51.24 H new ATOM 0 HD13 LEU A 73 -9.898 -4.539 -5.065 1.00 51.24 H new ATOM 0 HD21 LEU A 73 -10.115 -3.062 -2.338 1.00 60.32 H new ATOM 0 HD22 LEU A 73 -11.467 -3.022 -3.495 1.00 60.32 H new ATOM 0 HD23 LEU A 73 -11.728 -3.624 -1.840 1.00 60.32 H new ATOM 1147 N GLY A 74 -14.796 -5.920 -5.046 1.00 72.33 N ATOM 1148 CA GLY A 74 -16.003 -6.656 -5.389 1.00 41.21 C ATOM 1149 C GLY A 74 -16.186 -6.741 -6.892 1.00 42.12 C ATOM 1150 O GLY A 74 -16.699 -7.727 -7.422 1.00 42.21 O ATOM 0 H GLY A 74 -14.955 -5.033 -4.568 1.00 72.33 H new ATOM 0 HA2 GLY A 74 -15.951 -7.661 -4.969 1.00 41.21 H new ATOM 0 HA3 GLY A 74 -16.869 -6.168 -4.942 1.00 41.21 H new ATOM 1154 N ALA A 75 -15.722 -5.715 -7.580 1.00 33.43 N ATOM 1155 CA ALA A 75 -15.779 -5.645 -9.030 1.00 63.02 C ATOM 1156 C ALA A 75 -14.775 -6.607 -9.661 1.00 34.40 C ATOM 1157 O ALA A 75 -14.846 -6.901 -10.852 1.00 14.22 O ATOM 1158 CB ALA A 75 -15.551 -4.229 -9.510 1.00 64.34 C ATOM 0 H ALA A 75 -15.291 -4.899 -7.145 1.00 33.43 H new ATOM 0 HA ALA A 75 -16.777 -5.949 -9.345 1.00 63.02 H new ATOM 0 HB1 ALA A 75 -15.598 -4.202 -10.599 1.00 64.34 H new ATOM 0 HB2 ALA A 75 -16.320 -3.577 -9.097 1.00 64.34 H new ATOM 0 HB3 ALA A 75 -14.570 -3.887 -9.181 1.00 64.34 H new ATOM 1164 N LEU A 76 -13.832 -7.095 -8.852 1.00 75.43 N ATOM 1165 CA LEU A 76 -12.820 -8.044 -9.316 1.00 30.00 C ATOM 1166 C LEU A 76 -13.396 -9.461 -9.314 1.00 75.31 C ATOM 1167 O LEU A 76 -12.690 -10.428 -9.619 1.00 62.05 O ATOM 1168 CB LEU A 76 -11.621 -8.037 -8.382 1.00 51.20 C ATOM 1169 CG LEU A 76 -10.956 -6.711 -8.095 1.00 20.53 C ATOM 1170 CD1 LEU A 76 -9.825 -6.922 -7.142 1.00 1.51 C ATOM 1171 CD2 LEU A 76 -10.462 -6.073 -9.345 1.00 3.24 C ATOM 0 H LEU A 76 -13.749 -6.846 -7.866 1.00 75.43 H new ATOM 0 HA LEU A 76 -12.519 -7.750 -10.321 1.00 30.00 H new ATOM 0 HB2 LEU A 76 -11.936 -8.466 -7.431 1.00 51.20 H new ATOM 0 HB3 LEU A 76 -10.868 -8.705 -8.800 1.00 51.20 H new ATOM 0 HG LEU A 76 -11.692 -6.042 -7.650 1.00 20.53 H new ATOM 0 HD11 LEU A 76 -9.343 -5.967 -6.933 1.00 1.51 H new ATOM 0 HD12 LEU A 76 -10.206 -7.347 -6.214 1.00 1.51 H new ATOM 0 HD13 LEU A 76 -9.100 -7.606 -7.584 1.00 1.51 H new ATOM 0 HD21 LEU A 76 -9.989 -5.121 -9.105 1.00 3.24 H new ATOM 0 HD22 LEU A 76 -9.736 -6.728 -9.825 1.00 3.24 H new ATOM 0 HD23 LEU A 76 -11.299 -5.902 -10.022 1.00 3.24 H new ATOM 1183 N LYS A 77 -14.693 -9.564 -8.972 1.00 72.34 N ATOM 1184 CA LYS A 77 -15.440 -10.832 -8.909 1.00 4.42 C ATOM 1185 C LYS A 77 -15.009 -11.664 -7.709 1.00 41.42 C ATOM 1186 O LYS A 77 -15.165 -12.888 -7.704 1.00 54.04 O ATOM 1187 CB LYS A 77 -15.341 -11.683 -10.224 1.00 11.34 C ATOM 1188 CG LYS A 77 -15.959 -11.062 -11.487 1.00 62.04 C ATOM 1189 CD LYS A 77 -15.156 -9.888 -12.045 1.00 34.43 C ATOM 1190 CE LYS A 77 -15.879 -9.223 -13.214 1.00 71.43 C ATOM 1191 NZ LYS A 77 -16.162 -10.166 -14.311 1.00 43.04 N ATOM 0 H LYS A 77 -15.261 -8.753 -8.727 1.00 72.34 H new ATOM 0 HA LYS A 77 -16.487 -10.552 -8.796 1.00 4.42 H new ATOM 0 HB2 LYS A 77 -14.288 -11.885 -10.422 1.00 11.34 H new ATOM 0 HB3 LYS A 77 -15.822 -12.645 -10.046 1.00 11.34 H new ATOM 0 HG2 LYS A 77 -16.045 -11.831 -12.255 1.00 62.04 H new ATOM 0 HG3 LYS A 77 -16.970 -10.725 -11.259 1.00 62.04 H new ATOM 0 HD2 LYS A 77 -14.985 -9.155 -11.257 1.00 34.43 H new ATOM 0 HD3 LYS A 77 -14.177 -10.238 -12.373 1.00 34.43 H new ATOM 0 HE2 LYS A 77 -16.815 -8.791 -12.860 1.00 71.43 H new ATOM 0 HE3 LYS A 77 -15.271 -8.401 -13.593 1.00 71.43 H new ATOM 0 HZ1 LYS A 77 -16.529 -9.643 -15.132 1.00 43.04 H new ATOM 0 HZ2 LYS A 77 -15.287 -10.661 -14.578 1.00 43.04 H new ATOM 0 HZ3 LYS A 77 -16.870 -10.860 -13.998 1.00 43.04 H new ATOM 1205 N LEU A 78 -14.515 -11.003 -6.680 1.00 22.40 N ATOM 1206 CA LEU A 78 -14.046 -11.701 -5.493 1.00 40.12 C ATOM 1207 C LEU A 78 -15.206 -12.164 -4.638 1.00 20.11 C ATOM 1208 O LEU A 78 -16.104 -11.368 -4.310 1.00 5.41 O ATOM 1209 CB LEU A 78 -13.166 -10.804 -4.621 1.00 12.32 C ATOM 1210 CG LEU A 78 -11.950 -10.187 -5.267 1.00 75.54 C ATOM 1211 CD1 LEU A 78 -11.157 -9.410 -4.239 1.00 11.01 C ATOM 1212 CD2 LEU A 78 -11.094 -11.230 -5.946 1.00 21.22 C ATOM 0 H LEU A 78 -14.427 -9.988 -6.639 1.00 22.40 H new ATOM 0 HA LEU A 78 -13.470 -12.554 -5.851 1.00 40.12 H new ATOM 0 HB2 LEU A 78 -13.787 -9.997 -4.233 1.00 12.32 H new ATOM 0 HB3 LEU A 78 -12.832 -11.390 -3.764 1.00 12.32 H new ATOM 0 HG LEU A 78 -12.285 -9.497 -6.042 1.00 75.54 H new ATOM 0 HD11 LEU A 78 -10.281 -8.968 -4.713 1.00 11.01 H new ATOM 0 HD12 LEU A 78 -11.780 -8.620 -3.820 1.00 11.01 H new ATOM 0 HD13 LEU A 78 -10.838 -10.082 -3.442 1.00 11.01 H new ATOM 0 HD21 LEU A 78 -10.227 -10.750 -6.400 1.00 21.22 H new ATOM 0 HD22 LEU A 78 -10.760 -11.961 -5.210 1.00 21.22 H new ATOM 0 HD23 LEU A 78 -11.677 -11.732 -6.718 1.00 21.22 H new ATOM 1224 N PRO A 79 -15.239 -13.443 -4.283 1.00 65.31 N ATOM 1225 CA PRO A 79 -16.188 -13.929 -3.322 1.00 2.54 C ATOM 1226 C PRO A 79 -15.729 -13.499 -1.928 1.00 51.54 C ATOM 1227 O PRO A 79 -14.514 -13.391 -1.667 1.00 60.14 O ATOM 1228 CB PRO A 79 -16.129 -15.462 -3.458 1.00 54.04 C ATOM 1229 CG PRO A 79 -15.223 -15.736 -4.617 1.00 73.13 C ATOM 1230 CD PRO A 79 -14.374 -14.511 -4.792 1.00 12.10 C ATOM 0 HA PRO A 79 -17.198 -13.550 -3.477 1.00 2.54 H new ATOM 0 HB2 PRO A 79 -15.746 -15.921 -2.546 1.00 54.04 H new ATOM 0 HB3 PRO A 79 -17.122 -15.877 -3.631 1.00 54.04 H new ATOM 0 HG2 PRO A 79 -14.604 -16.613 -4.427 1.00 73.13 H new ATOM 0 HG3 PRO A 79 -15.799 -15.941 -5.520 1.00 73.13 H new ATOM 0 HD2 PRO A 79 -13.443 -14.580 -4.230 1.00 12.10 H new ATOM 0 HD3 PRO A 79 -14.105 -14.351 -5.836 1.00 12.10 H new ATOM 1238 N PHE A 80 -16.659 -13.235 -1.051 1.00 34.41 N ATOM 1239 CA PHE A 80 -16.310 -12.791 0.286 1.00 54.24 C ATOM 1240 C PHE A 80 -15.672 -13.944 1.045 1.00 14.12 C ATOM 1241 O PHE A 80 -16.033 -15.106 0.836 1.00 32.33 O ATOM 1242 CB PHE A 80 -17.543 -12.312 1.059 1.00 30.53 C ATOM 1243 CG PHE A 80 -18.363 -11.231 0.399 1.00 71.44 C ATOM 1244 CD1 PHE A 80 -17.835 -10.418 -0.596 1.00 61.13 C ATOM 1245 CD2 PHE A 80 -19.676 -11.044 0.777 1.00 73.42 C ATOM 1246 CE1 PHE A 80 -18.606 -9.443 -1.190 1.00 41.33 C ATOM 1247 CE2 PHE A 80 -20.453 -10.070 0.186 1.00 33.12 C ATOM 1248 CZ PHE A 80 -19.916 -9.269 -0.799 1.00 31.34 C ATOM 0 H PHE A 80 -17.660 -13.316 -1.229 1.00 34.41 H new ATOM 0 HA PHE A 80 -15.615 -11.956 0.194 1.00 54.24 H new ATOM 0 HB2 PHE A 80 -18.190 -13.171 1.239 1.00 30.53 H new ATOM 0 HB3 PHE A 80 -17.217 -11.948 2.033 1.00 30.53 H new ATOM 0 HD1 PHE A 80 -16.809 -10.552 -0.907 1.00 61.13 H new ATOM 0 HD2 PHE A 80 -20.102 -11.670 1.547 1.00 73.42 H new ATOM 0 HE1 PHE A 80 -18.184 -8.816 -1.961 1.00 41.33 H new ATOM 0 HE2 PHE A 80 -21.479 -9.935 0.494 1.00 33.12 H new ATOM 0 HZ PHE A 80 -20.522 -8.505 -1.264 1.00 31.34 H new ATOM 1258 N GLY A 81 -14.727 -13.637 1.895 1.00 64.31 N ATOM 1259 CA GLY A 81 -14.099 -14.668 2.684 1.00 23.55 C ATOM 1260 C GLY A 81 -12.895 -15.289 2.017 1.00 4.30 C ATOM 1261 O GLY A 81 -12.279 -16.194 2.570 1.00 43.41 O ATOM 0 H GLY A 81 -14.377 -12.693 2.059 1.00 64.31 H new ATOM 0 HA2 GLY A 81 -13.796 -14.247 3.643 1.00 23.55 H new ATOM 0 HA3 GLY A 81 -14.830 -15.448 2.895 1.00 23.55 H new ATOM 1265 N LYS A 82 -12.547 -14.808 0.847 1.00 70.12 N ATOM 1266 CA LYS A 82 -11.420 -15.358 0.122 1.00 33.32 C ATOM 1267 C LYS A 82 -10.214 -14.457 0.281 1.00 74.11 C ATOM 1268 O LYS A 82 -10.359 -13.225 0.369 1.00 72.30 O ATOM 1269 CB LYS A 82 -11.754 -15.491 -1.370 1.00 10.11 C ATOM 1270 CG LYS A 82 -13.022 -16.279 -1.671 1.00 72.23 C ATOM 1271 CD LYS A 82 -12.966 -17.691 -1.137 1.00 30.25 C ATOM 1272 CE LYS A 82 -14.261 -18.425 -1.422 1.00 22.55 C ATOM 1273 NZ LYS A 82 -14.247 -19.802 -0.895 1.00 2.55 N ATOM 0 H LYS A 82 -13.024 -14.040 0.376 1.00 70.12 H new ATOM 0 HA LYS A 82 -11.199 -16.345 0.529 1.00 33.32 H new ATOM 0 HB2 LYS A 82 -11.853 -14.493 -1.796 1.00 10.11 H new ATOM 0 HB3 LYS A 82 -10.916 -15.971 -1.875 1.00 10.11 H new ATOM 0 HG2 LYS A 82 -13.878 -15.763 -1.236 1.00 72.23 H new ATOM 0 HG3 LYS A 82 -13.181 -16.308 -2.749 1.00 72.23 H new ATOM 0 HD2 LYS A 82 -12.132 -18.225 -1.593 1.00 30.25 H new ATOM 0 HD3 LYS A 82 -12.782 -17.672 -0.063 1.00 30.25 H new ATOM 0 HE2 LYS A 82 -15.093 -17.877 -0.980 1.00 22.55 H new ATOM 0 HE3 LYS A 82 -14.433 -18.451 -2.498 1.00 22.55 H new ATOM 0 HZ1 LYS A 82 -15.152 -20.266 -1.113 1.00 2.55 H new ATOM 0 HZ2 LYS A 82 -13.470 -20.334 -1.336 1.00 2.55 H new ATOM 0 HZ3 LYS A 82 -14.109 -19.778 0.136 1.00 2.55 H new ATOM 1287 N THR A 83 -9.044 -15.046 0.338 1.00 45.31 N ATOM 1288 CA THR A 83 -7.834 -14.284 0.414 1.00 23.11 C ATOM 1289 C THR A 83 -7.376 -13.944 -0.996 1.00 63.01 C ATOM 1290 O THR A 83 -7.091 -14.837 -1.807 1.00 64.40 O ATOM 1291 CB THR A 83 -6.722 -15.049 1.156 1.00 43.12 C ATOM 1292 OG1 THR A 83 -7.192 -15.423 2.472 1.00 10.30 O ATOM 1293 CG2 THR A 83 -5.481 -14.164 1.291 1.00 64.43 C ATOM 0 H THR A 83 -8.910 -16.057 0.333 1.00 45.31 H new ATOM 0 HA THR A 83 -8.035 -13.373 0.978 1.00 23.11 H new ATOM 0 HB THR A 83 -6.463 -15.944 0.590 1.00 43.12 H new ATOM 0 HG1 THR A 83 -7.378 -14.615 2.995 1.00 10.30 H new ATOM 0 HG21 THR A 83 -4.699 -14.712 1.817 1.00 64.43 H new ATOM 0 HG22 THR A 83 -5.124 -13.884 0.300 1.00 64.43 H new ATOM 0 HG23 THR A 83 -5.735 -13.265 1.853 1.00 64.43 H new ATOM 1301 N THR A 84 -7.335 -12.682 -1.282 1.00 75.32 N ATOM 1302 CA THR A 84 -6.955 -12.204 -2.584 1.00 73.31 C ATOM 1303 C THR A 84 -5.643 -11.426 -2.518 1.00 45.02 C ATOM 1304 O THR A 84 -5.445 -10.610 -1.625 1.00 11.21 O ATOM 1305 CB THR A 84 -8.068 -11.308 -3.152 1.00 72.31 C ATOM 1306 OG1 THR A 84 -9.293 -12.066 -3.192 1.00 32.40 O ATOM 1307 CG2 THR A 84 -7.723 -10.816 -4.559 1.00 20.20 C ATOM 0 H THR A 84 -7.565 -11.944 -0.617 1.00 75.32 H new ATOM 0 HA THR A 84 -6.809 -13.063 -3.239 1.00 73.31 H new ATOM 0 HB THR A 84 -8.178 -10.434 -2.510 1.00 72.31 H new ATOM 0 HG1 THR A 84 -9.849 -11.830 -2.420 1.00 32.40 H new ATOM 0 HG21 THR A 84 -8.530 -10.185 -4.932 1.00 20.20 H new ATOM 0 HG22 THR A 84 -6.798 -10.240 -4.527 1.00 20.20 H new ATOM 0 HG23 THR A 84 -7.595 -11.671 -5.222 1.00 20.20 H new ATOM 1315 N VAL A 85 -4.754 -11.695 -3.444 1.00 21.12 N ATOM 1316 CA VAL A 85 -3.488 -11.001 -3.511 1.00 55.15 C ATOM 1317 C VAL A 85 -3.443 -10.090 -4.747 1.00 34.24 C ATOM 1318 O VAL A 85 -3.796 -10.505 -5.857 1.00 53.13 O ATOM 1319 CB VAL A 85 -2.280 -11.997 -3.493 1.00 40.44 C ATOM 1320 CG1 VAL A 85 -2.354 -13.003 -4.633 1.00 52.21 C ATOM 1321 CG2 VAL A 85 -0.959 -11.251 -3.522 1.00 52.52 C ATOM 0 H VAL A 85 -4.886 -12.399 -4.171 1.00 21.12 H new ATOM 0 HA VAL A 85 -3.398 -10.378 -2.621 1.00 55.15 H new ATOM 0 HB VAL A 85 -2.340 -12.556 -2.559 1.00 40.44 H new ATOM 0 HG11 VAL A 85 -1.497 -13.674 -4.582 1.00 52.21 H new ATOM 0 HG12 VAL A 85 -3.274 -13.582 -4.548 1.00 52.21 H new ATOM 0 HG13 VAL A 85 -2.345 -12.474 -5.586 1.00 52.21 H new ATOM 0 HG21 VAL A 85 -0.137 -11.966 -3.509 1.00 52.52 H new ATOM 0 HG22 VAL A 85 -0.901 -10.649 -4.429 1.00 52.52 H new ATOM 0 HG23 VAL A 85 -0.889 -10.601 -2.650 1.00 52.52 H new ATOM 1331 N MET A 86 -3.047 -8.847 -4.551 1.00 31.14 N ATOM 1332 CA MET A 86 -2.987 -7.882 -5.635 1.00 33.41 C ATOM 1333 C MET A 86 -1.711 -7.104 -5.573 1.00 4.13 C ATOM 1334 O MET A 86 -1.125 -6.946 -4.512 1.00 21.33 O ATOM 1335 CB MET A 86 -4.160 -6.902 -5.595 1.00 70.54 C ATOM 1336 CG MET A 86 -5.518 -7.530 -5.793 1.00 3.31 C ATOM 1337 SD MET A 86 -6.851 -6.324 -5.751 1.00 33.03 S ATOM 1338 CE MET A 86 -6.464 -5.290 -7.165 1.00 32.01 C ATOM 0 H MET A 86 -2.760 -8.479 -3.644 1.00 31.14 H new ATOM 0 HA MET A 86 -3.038 -8.449 -6.564 1.00 33.41 H new ATOM 0 HB2 MET A 86 -4.151 -6.386 -4.635 1.00 70.54 H new ATOM 0 HB3 MET A 86 -4.009 -6.146 -6.365 1.00 70.54 H new ATOM 0 HG2 MET A 86 -5.536 -8.053 -6.749 1.00 3.31 H new ATOM 0 HG3 MET A 86 -5.685 -8.278 -5.018 1.00 3.31 H new ATOM 0 HE1 MET A 86 -7.352 -4.731 -7.461 1.00 32.01 H new ATOM 0 HE2 MET A 86 -5.669 -4.593 -6.900 1.00 32.01 H new ATOM 0 HE3 MET A 86 -6.136 -5.916 -7.995 1.00 32.01 H new ATOM 1348 N HIS A 87 -1.274 -6.627 -6.705 1.00 15.43 N ATOM 1349 CA HIS A 87 -0.081 -5.801 -6.758 1.00 63.44 C ATOM 1350 C HIS A 87 -0.525 -4.378 -7.005 1.00 23.42 C ATOM 1351 O HIS A 87 -1.404 -4.146 -7.812 1.00 34.01 O ATOM 1352 CB HIS A 87 0.900 -6.238 -7.860 1.00 44.21 C ATOM 1353 CG HIS A 87 1.554 -7.597 -7.691 1.00 24.12 C ATOM 1354 ND1 HIS A 87 2.915 -7.752 -7.522 1.00 45.14 N ATOM 1355 CD2 HIS A 87 1.047 -8.865 -7.742 1.00 72.21 C ATOM 1356 CE1 HIS A 87 3.209 -9.034 -7.484 1.00 75.40 C ATOM 1357 NE2 HIS A 87 2.099 -9.724 -7.613 1.00 64.02 N ATOM 0 H HIS A 87 -1.720 -6.791 -7.608 1.00 15.43 H new ATOM 0 HA HIS A 87 0.454 -5.901 -5.814 1.00 63.44 H new ATOM 0 HB2 HIS A 87 0.368 -6.233 -8.811 1.00 44.21 H new ATOM 0 HB3 HIS A 87 1.688 -5.488 -7.931 1.00 44.21 H new ATOM 0 HD2 HIS A 87 0.009 -9.136 -7.862 1.00 72.21 H new ATOM 0 HE1 HIS A 87 4.199 -9.450 -7.366 1.00 75.40 H new ATOM 0 HE2 HIS A 87 2.034 -10.742 -7.616 1.00 64.02 H new ATOM 1366 N LEU A 88 0.024 -3.441 -6.302 1.00 14.33 N ATOM 1367 CA LEU A 88 -0.402 -2.065 -6.460 1.00 24.01 C ATOM 1368 C LEU A 88 0.768 -1.199 -6.814 1.00 41.41 C ATOM 1369 O LEU A 88 1.854 -1.363 -6.245 1.00 45.11 O ATOM 1370 CB LEU A 88 -1.088 -1.531 -5.178 1.00 11.52 C ATOM 1371 CG LEU A 88 -2.411 -2.205 -4.722 1.00 3.12 C ATOM 1372 CD1 LEU A 88 -3.472 -2.146 -5.801 1.00 43.03 C ATOM 1373 CD2 LEU A 88 -2.192 -3.631 -4.248 1.00 71.55 C ATOM 0 H LEU A 88 0.763 -3.589 -5.615 1.00 14.33 H new ATOM 0 HA LEU A 88 -1.132 -2.034 -7.269 1.00 24.01 H new ATOM 0 HB2 LEU A 88 -0.373 -1.611 -4.359 1.00 11.52 H new ATOM 0 HB3 LEU A 88 -1.288 -0.469 -5.324 1.00 11.52 H new ATOM 0 HG LEU A 88 -2.774 -1.632 -3.869 1.00 3.12 H new ATOM 0 HD11 LEU A 88 -4.382 -2.628 -5.443 1.00 43.03 H new ATOM 0 HD12 LEU A 88 -3.685 -1.105 -6.046 1.00 43.03 H new ATOM 0 HD13 LEU A 88 -3.114 -2.662 -6.692 1.00 43.03 H new ATOM 0 HD21 LEU A 88 -3.144 -4.062 -3.939 1.00 71.55 H new ATOM 0 HD22 LEU A 88 -1.772 -4.224 -5.060 1.00 71.55 H new ATOM 0 HD23 LEU A 88 -1.502 -3.632 -3.404 1.00 71.55 H new ATOM 1385 N VAL A 89 0.581 -0.296 -7.760 1.00 73.25 N ATOM 1386 CA VAL A 89 1.651 0.587 -8.145 1.00 51.20 C ATOM 1387 C VAL A 89 1.215 2.045 -8.073 1.00 33.41 C ATOM 1388 O VAL A 89 0.120 2.418 -8.519 1.00 21.03 O ATOM 1389 CB VAL A 89 2.241 0.269 -9.563 1.00 74.33 C ATOM 1390 CG1 VAL A 89 2.763 -1.148 -9.645 1.00 53.24 C ATOM 1391 CG2 VAL A 89 1.234 0.516 -10.662 1.00 34.23 C ATOM 0 H VAL A 89 -0.294 -0.161 -8.267 1.00 73.25 H new ATOM 0 HA VAL A 89 2.450 0.415 -7.424 1.00 51.20 H new ATOM 0 HB VAL A 89 3.077 0.953 -9.710 1.00 74.33 H new ATOM 0 HG11 VAL A 89 3.164 -1.331 -10.642 1.00 53.24 H new ATOM 0 HG12 VAL A 89 3.551 -1.289 -8.906 1.00 53.24 H new ATOM 0 HG13 VAL A 89 1.951 -1.847 -9.447 1.00 53.24 H new ATOM 0 HG21 VAL A 89 1.684 0.283 -11.627 1.00 34.23 H new ATOM 0 HG22 VAL A 89 0.362 -0.119 -10.506 1.00 34.23 H new ATOM 0 HG23 VAL A 89 0.928 1.562 -10.647 1.00 34.23 H new ATOM 1401 N ALA A 90 2.049 2.842 -7.484 1.00 22.44 N ATOM 1402 CA ALA A 90 1.839 4.251 -7.385 1.00 54.33 C ATOM 1403 C ALA A 90 3.127 4.949 -7.720 1.00 73.03 C ATOM 1404 O ALA A 90 4.187 4.544 -7.241 1.00 5.30 O ATOM 1405 CB ALA A 90 1.375 4.627 -5.984 1.00 23.52 C ATOM 0 H ALA A 90 2.915 2.524 -7.049 1.00 22.44 H new ATOM 0 HA ALA A 90 1.060 4.557 -8.084 1.00 54.33 H new ATOM 0 HB1 ALA A 90 1.221 5.705 -5.929 1.00 23.52 H new ATOM 0 HB2 ALA A 90 0.439 4.114 -5.761 1.00 23.52 H new ATOM 0 HB3 ALA A 90 2.133 4.331 -5.258 1.00 23.52 H new ATOM 1411 N ARG A 91 3.060 5.955 -8.551 1.00 2.44 N ATOM 1412 CA ARG A 91 4.238 6.738 -8.863 1.00 11.13 C ATOM 1413 C ARG A 91 4.332 7.842 -7.828 1.00 11.43 C ATOM 1414 O ARG A 91 3.304 8.439 -7.480 1.00 34.45 O ATOM 1415 CB ARG A 91 4.160 7.324 -10.282 1.00 50.44 C ATOM 1416 CG ARG A 91 5.396 8.122 -10.694 1.00 13.43 C ATOM 1417 CD ARG A 91 5.220 8.774 -12.055 1.00 53.24 C ATOM 1418 NE ARG A 91 6.410 9.546 -12.454 1.00 41.21 N ATOM 1419 CZ ARG A 91 6.396 10.645 -13.225 1.00 44.23 C ATOM 1420 NH1 ARG A 91 5.253 11.148 -13.641 1.00 70.14 N ATOM 1421 NH2 ARG A 91 7.532 11.231 -13.568 1.00 72.44 N ATOM 0 H ARG A 91 2.208 6.255 -9.025 1.00 2.44 H new ATOM 0 HA ARG A 91 5.127 6.108 -8.835 1.00 11.13 H new ATOM 0 HB2 ARG A 91 4.012 6.511 -10.992 1.00 50.44 H new ATOM 0 HB3 ARG A 91 3.284 7.969 -10.350 1.00 50.44 H new ATOM 0 HG2 ARG A 91 5.599 8.889 -9.947 1.00 13.43 H new ATOM 0 HG3 ARG A 91 6.263 7.462 -10.717 1.00 13.43 H new ATOM 0 HD2 ARG A 91 5.019 8.006 -12.802 1.00 53.24 H new ATOM 0 HD3 ARG A 91 4.351 9.432 -12.032 1.00 53.24 H new ATOM 0 HE ARG A 91 7.316 9.220 -12.118 1.00 41.21 H new ATOM 0 HH11 ARG A 91 4.374 10.703 -13.378 1.00 70.14 H new ATOM 0 HH12 ARG A 91 5.246 11.983 -14.227 1.00 70.14 H new ATOM 0 HH21 ARG A 91 8.421 10.848 -13.247 1.00 72.44 H new ATOM 0 HH22 ARG A 91 7.519 12.066 -14.154 1.00 72.44 H new ATOM 1435 N GLU A 92 5.539 8.060 -7.292 1.00 64.22 N ATOM 1436 CA GLU A 92 5.833 9.063 -6.232 1.00 60.32 C ATOM 1437 C GLU A 92 5.266 8.651 -4.879 1.00 2.11 C ATOM 1438 O GLU A 92 5.931 8.753 -3.855 1.00 14.52 O ATOM 1439 CB GLU A 92 5.407 10.482 -6.629 1.00 50.01 C ATOM 1440 CG GLU A 92 6.067 10.953 -7.913 1.00 32.51 C ATOM 1441 CD GLU A 92 7.556 10.726 -7.892 1.00 13.15 C ATOM 1442 OE1 GLU A 92 8.278 11.526 -7.310 1.00 32.41 O ATOM 1443 OE2 GLU A 92 8.025 9.696 -8.446 1.00 54.25 O ATOM 0 H GLU A 92 6.365 7.537 -7.582 1.00 64.22 H new ATOM 0 HA GLU A 92 6.918 9.087 -6.126 1.00 60.32 H new ATOM 0 HB2 GLU A 92 4.324 10.512 -6.750 1.00 50.01 H new ATOM 0 HB3 GLU A 92 5.657 11.171 -5.822 1.00 50.01 H new ATOM 0 HG2 GLU A 92 5.631 10.425 -8.761 1.00 32.51 H new ATOM 0 HG3 GLU A 92 5.863 12.014 -8.059 1.00 32.51 H new ATOM 1450 N THR A 93 4.059 8.164 -4.914 1.00 2.24 N ATOM 1451 CA THR A 93 3.344 7.656 -3.777 1.00 52.10 C ATOM 1452 C THR A 93 2.853 8.772 -2.841 1.00 43.22 C ATOM 1453 O THR A 93 3.508 9.160 -1.874 1.00 63.22 O ATOM 1454 CB THR A 93 4.127 6.543 -3.028 1.00 13.10 C ATOM 1455 OG1 THR A 93 4.468 5.511 -3.974 1.00 71.44 O ATOM 1456 CG2 THR A 93 3.277 5.931 -1.916 1.00 74.15 C ATOM 0 H THR A 93 3.520 8.107 -5.778 1.00 2.24 H new ATOM 0 HA THR A 93 2.447 7.178 -4.171 1.00 52.10 H new ATOM 0 HB THR A 93 5.022 6.978 -2.582 1.00 13.10 H new ATOM 0 HG1 THR A 93 4.965 4.800 -3.518 1.00 71.44 H new ATOM 0 HG21 THR A 93 3.848 5.154 -1.407 1.00 74.15 H new ATOM 0 HG22 THR A 93 3.001 6.706 -1.201 1.00 74.15 H new ATOM 0 HG23 THR A 93 2.375 5.495 -2.346 1.00 74.15 H new ATOM 1464 N LEU A 94 1.715 9.324 -3.207 1.00 52.05 N ATOM 1465 CA LEU A 94 1.039 10.347 -2.424 1.00 23.22 C ATOM 1466 C LEU A 94 0.242 9.649 -1.339 1.00 1.41 C ATOM 1467 O LEU A 94 -0.289 8.577 -1.600 1.00 15.22 O ATOM 1468 CB LEU A 94 0.039 11.155 -3.307 1.00 41.23 C ATOM 1469 CG LEU A 94 0.583 11.977 -4.496 1.00 0.10 C ATOM 1470 CD1 LEU A 94 1.576 13.009 -4.046 1.00 72.24 C ATOM 1471 CD2 LEU A 94 1.167 11.095 -5.589 1.00 41.43 C ATOM 0 H LEU A 94 1.225 9.075 -4.066 1.00 52.05 H new ATOM 0 HA LEU A 94 1.782 11.030 -2.012 1.00 23.22 H new ATOM 0 HB2 LEU A 94 -0.694 10.451 -3.702 1.00 41.23 H new ATOM 0 HB3 LEU A 94 -0.498 11.841 -2.652 1.00 41.23 H new ATOM 0 HG LEU A 94 -0.270 12.500 -4.928 1.00 0.10 H new ATOM 0 HD11 LEU A 94 1.937 13.568 -4.910 1.00 72.24 H new ATOM 0 HD12 LEU A 94 1.097 13.693 -3.345 1.00 72.24 H new ATOM 0 HD13 LEU A 94 2.416 12.516 -3.556 1.00 72.24 H new ATOM 0 HD21 LEU A 94 1.536 11.720 -6.402 1.00 41.43 H new ATOM 0 HD22 LEU A 94 1.989 10.507 -5.181 1.00 41.43 H new ATOM 0 HD23 LEU A 94 0.395 10.425 -5.968 1.00 41.43 H new ATOM 1483 N PRO A 95 0.151 10.219 -0.128 1.00 40.43 N ATOM 1484 CA PRO A 95 -0.653 9.637 0.963 1.00 72.32 C ATOM 1485 C PRO A 95 -2.112 9.443 0.536 1.00 74.54 C ATOM 1486 O PRO A 95 -2.643 8.356 0.621 1.00 73.11 O ATOM 1487 CB PRO A 95 -0.553 10.672 2.082 1.00 0.42 C ATOM 1488 CG PRO A 95 0.690 11.436 1.787 1.00 73.05 C ATOM 1489 CD PRO A 95 0.843 11.441 0.293 1.00 33.52 C ATOM 0 HA PRO A 95 -0.297 8.651 1.261 1.00 72.32 H new ATOM 0 HB2 PRO A 95 -1.425 11.326 2.094 1.00 0.42 H new ATOM 0 HB3 PRO A 95 -0.500 10.193 3.060 1.00 0.42 H new ATOM 0 HG2 PRO A 95 0.621 12.453 2.173 1.00 73.05 H new ATOM 0 HG3 PRO A 95 1.553 10.972 2.264 1.00 73.05 H new ATOM 0 HD2 PRO A 95 0.395 12.329 -0.153 1.00 33.52 H new ATOM 0 HD3 PRO A 95 1.892 11.430 -0.003 1.00 33.52 H new ATOM 1497 N GLU A 96 -2.741 10.503 0.071 1.00 12.42 N ATOM 1498 CA GLU A 96 -4.093 10.423 -0.458 1.00 71.35 C ATOM 1499 C GLU A 96 -4.010 9.831 -1.887 1.00 70.15 C ATOM 1500 O GLU A 96 -2.983 9.998 -2.553 1.00 10.14 O ATOM 1501 CB GLU A 96 -4.708 11.839 -0.485 1.00 21.44 C ATOM 1502 CG GLU A 96 -6.164 11.892 -0.903 1.00 54.10 C ATOM 1503 CD GLU A 96 -6.690 13.289 -1.010 1.00 40.14 C ATOM 1504 OE1 GLU A 96 -6.446 13.922 -2.036 1.00 63.11 O ATOM 1505 OE2 GLU A 96 -7.367 13.760 -0.077 1.00 40.53 O ATOM 0 H GLU A 96 -2.336 11.439 0.048 1.00 12.42 H new ATOM 0 HA GLU A 96 -4.724 9.787 0.163 1.00 71.35 H new ATOM 0 HB2 GLU A 96 -4.613 12.280 0.507 1.00 21.44 H new ATOM 0 HB3 GLU A 96 -4.126 12.460 -1.166 1.00 21.44 H new ATOM 0 HG2 GLU A 96 -6.279 11.392 -1.864 1.00 54.10 H new ATOM 0 HG3 GLU A 96 -6.764 11.338 -0.181 1.00 54.10 H new ATOM 1512 N PRO A 97 -5.042 9.066 -2.361 1.00 0.12 N ATOM 1513 CA PRO A 97 -5.072 8.532 -3.729 1.00 52.51 C ATOM 1514 C PRO A 97 -4.892 9.655 -4.749 1.00 45.11 C ATOM 1515 O PRO A 97 -3.864 9.724 -5.423 1.00 33.52 O ATOM 1516 CB PRO A 97 -6.474 7.903 -3.843 1.00 44.33 C ATOM 1517 CG PRO A 97 -7.239 8.484 -2.696 1.00 3.53 C ATOM 1518 CD PRO A 97 -6.234 8.655 -1.613 1.00 3.22 C ATOM 0 HA PRO A 97 -4.273 7.817 -3.925 1.00 52.51 H new ATOM 0 HB2 PRO A 97 -6.942 8.147 -4.797 1.00 44.33 H new ATOM 0 HB3 PRO A 97 -6.428 6.816 -3.779 1.00 44.33 H new ATOM 0 HG2 PRO A 97 -7.694 9.437 -2.967 1.00 3.53 H new ATOM 0 HG3 PRO A 97 -8.047 7.822 -2.384 1.00 3.53 H new ATOM 0 HD2 PRO A 97 -6.540 9.409 -0.888 1.00 3.22 H new ATOM 0 HD3 PRO A 97 -6.069 7.730 -1.060 1.00 3.22 H new ATOM 1526 N ASN A 98 -5.896 10.512 -4.810 1.00 3.53 N ATOM 1527 CA ASN A 98 -5.929 11.734 -5.585 1.00 30.02 C ATOM 1528 C ASN A 98 -7.301 12.308 -5.409 1.00 53.21 C ATOM 1529 O ASN A 98 -8.207 12.039 -6.204 1.00 31.21 O ATOM 1530 CB ASN A 98 -5.607 11.561 -7.094 1.00 54.31 C ATOM 1531 CG ASN A 98 -5.595 12.907 -7.844 1.00 52.03 C ATOM 1532 OD1 ASN A 98 -4.564 13.578 -7.929 1.00 24.32 O ATOM 1533 ND2 ASN A 98 -6.723 13.287 -8.404 1.00 74.31 N ATOM 0 H ASN A 98 -6.759 10.362 -4.288 1.00 3.53 H new ATOM 0 HA ASN A 98 -5.141 12.392 -5.219 1.00 30.02 H new ATOM 0 HB2 ASN A 98 -4.636 11.077 -7.204 1.00 54.31 H new ATOM 0 HB3 ASN A 98 -6.346 10.900 -7.548 1.00 54.31 H new ATOM 0 HD21 ASN A 98 -6.763 14.161 -8.928 1.00 74.31 H new ATOM 0 HD22 ASN A 98 -7.558 12.708 -8.314 1.00 74.31 H new ATOM 1540 N SER A 99 -7.483 12.970 -4.285 1.00 31.14 N ATOM 1541 CA SER A 99 -8.714 13.627 -3.886 1.00 34.24 C ATOM 1542 C SER A 99 -9.909 12.676 -3.642 1.00 3.24 C ATOM 1543 O SER A 99 -10.387 12.555 -2.523 1.00 72.42 O ATOM 1544 CB SER A 99 -9.046 14.764 -4.848 1.00 61.34 C ATOM 1545 OG SER A 99 -7.970 15.696 -4.872 1.00 64.41 O ATOM 0 H SER A 99 -6.742 13.070 -3.591 1.00 31.14 H new ATOM 0 HA SER A 99 -8.527 14.052 -2.900 1.00 34.24 H new ATOM 0 HB2 SER A 99 -9.221 14.368 -5.849 1.00 61.34 H new ATOM 0 HB3 SER A 99 -9.965 15.261 -4.537 1.00 61.34 H new ATOM 0 HG SER A 99 -8.183 16.425 -5.491 1.00 64.41 H new ATOM 1551 N GLN A 100 -10.350 11.990 -4.668 1.00 45.25 N ATOM 1552 CA GLN A 100 -11.577 11.215 -4.589 1.00 12.34 C ATOM 1553 C GLN A 100 -11.264 9.810 -4.122 1.00 3.11 C ATOM 1554 O GLN A 100 -11.879 9.290 -3.187 1.00 2.23 O ATOM 1555 CB GLN A 100 -12.298 11.217 -5.970 1.00 1.23 C ATOM 1556 CG GLN A 100 -13.778 10.763 -5.963 1.00 32.45 C ATOM 1557 CD GLN A 100 -14.018 9.296 -5.637 1.00 14.40 C ATOM 1558 OE1 GLN A 100 -13.203 8.431 -5.941 1.00 4.24 O ATOM 1559 NE2 GLN A 100 -15.122 9.015 -5.007 1.00 74.22 N ATOM 0 H GLN A 100 -9.880 11.949 -5.573 1.00 45.25 H new ATOM 0 HA GLN A 100 -12.253 11.667 -3.863 1.00 12.34 H new ATOM 0 HB2 GLN A 100 -12.250 12.225 -6.381 1.00 1.23 H new ATOM 0 HB3 GLN A 100 -11.743 10.569 -6.648 1.00 1.23 H new ATOM 0 HG2 GLN A 100 -14.322 11.370 -5.239 1.00 32.45 H new ATOM 0 HG3 GLN A 100 -14.208 10.973 -6.942 1.00 32.45 H new ATOM 0 HE21 GLN A 100 -15.778 9.760 -4.770 1.00 74.22 H new ATOM 0 HE22 GLN A 100 -15.331 8.050 -4.751 1.00 74.22 H new ATOM 1568 N GLY A 101 -10.304 9.206 -4.781 1.00 50.45 N ATOM 1569 CA GLY A 101 -9.941 7.847 -4.503 1.00 75.31 C ATOM 1570 C GLY A 101 -9.849 7.071 -5.769 1.00 30.24 C ATOM 1571 O GLY A 101 -9.022 6.178 -5.915 1.00 54.54 O ATOM 0 H GLY A 101 -9.757 9.645 -5.522 1.00 50.45 H new ATOM 0 HA2 GLY A 101 -8.985 7.818 -3.980 1.00 75.31 H new ATOM 0 HA3 GLY A 101 -10.680 7.393 -3.843 1.00 75.31 H new ATOM 1575 N GLN A 102 -10.686 7.436 -6.695 1.00 12.51 N ATOM 1576 CA GLN A 102 -10.738 6.805 -7.972 1.00 53.34 C ATOM 1577 C GLN A 102 -9.800 7.508 -8.929 1.00 1.11 C ATOM 1578 O GLN A 102 -9.565 8.709 -8.795 1.00 71.04 O ATOM 1579 CB GLN A 102 -12.169 6.876 -8.505 1.00 0.25 C ATOM 1580 CG GLN A 102 -12.442 6.092 -9.774 1.00 74.12 C ATOM 1581 CD GLN A 102 -13.839 6.347 -10.294 1.00 70.55 C ATOM 1582 OE1 GLN A 102 -14.383 7.436 -10.113 1.00 5.02 O ATOM 1583 NE2 GLN A 102 -14.426 5.367 -10.931 1.00 15.02 N ATOM 0 H GLN A 102 -11.360 8.192 -6.578 1.00 12.51 H new ATOM 0 HA GLN A 102 -10.432 5.763 -7.879 1.00 53.34 H new ATOM 0 HB2 GLN A 102 -12.844 6.518 -7.728 1.00 0.25 H new ATOM 0 HB3 GLN A 102 -12.417 7.922 -8.686 1.00 0.25 H new ATOM 0 HG2 GLN A 102 -11.713 6.367 -10.536 1.00 74.12 H new ATOM 0 HG3 GLN A 102 -12.314 5.027 -9.580 1.00 74.12 H new ATOM 0 HE21 GLN A 102 -13.940 4.479 -11.060 1.00 15.02 H new ATOM 0 HE22 GLN A 102 -15.369 5.490 -11.299 1.00 15.02 H new ATOM 1592 N ARG A 103 -9.250 6.737 -9.856 1.00 30.01 N ATOM 1593 CA ARG A 103 -8.427 7.227 -10.962 1.00 0.10 C ATOM 1594 C ARG A 103 -9.135 8.386 -11.644 1.00 14.40 C ATOM 1595 O ARG A 103 -8.624 9.497 -11.715 1.00 64.55 O ATOM 1596 CB ARG A 103 -8.299 6.081 -11.958 1.00 10.31 C ATOM 1597 CG ARG A 103 -7.610 6.394 -13.279 1.00 22.11 C ATOM 1598 CD ARG A 103 -6.151 6.727 -13.123 1.00 2.33 C ATOM 1599 NE ARG A 103 -5.557 7.021 -14.429 1.00 60.24 N ATOM 1600 CZ ARG A 103 -4.274 6.866 -14.744 1.00 14.23 C ATOM 1601 NH1 ARG A 103 -3.436 6.303 -13.883 1.00 1.44 N ATOM 1602 NH2 ARG A 103 -3.839 7.234 -15.942 1.00 61.21 N ATOM 0 H ARG A 103 -9.365 5.724 -9.863 1.00 30.01 H new ATOM 0 HA ARG A 103 -7.453 7.562 -10.605 1.00 0.10 H new ATOM 0 HB2 ARG A 103 -7.754 5.270 -11.475 1.00 10.31 H new ATOM 0 HB3 ARG A 103 -9.299 5.707 -12.177 1.00 10.31 H new ATOM 0 HG2 ARG A 103 -7.711 5.538 -13.946 1.00 22.11 H new ATOM 0 HG3 ARG A 103 -8.118 7.232 -13.757 1.00 22.11 H new ATOM 0 HD2 ARG A 103 -6.035 7.585 -12.461 1.00 2.33 H new ATOM 0 HD3 ARG A 103 -5.628 5.892 -12.657 1.00 2.33 H new ATOM 0 HE ARG A 103 -6.178 7.374 -15.157 1.00 60.24 H new ATOM 0 HH11 ARG A 103 -3.775 5.987 -12.974 1.00 1.44 H new ATOM 0 HH12 ARG A 103 -2.453 6.187 -14.130 1.00 1.44 H new ATOM 0 HH21 ARG A 103 -4.488 7.635 -16.619 1.00 61.21 H new ATOM 0 HH22 ARG A 103 -2.856 7.116 -16.186 1.00 61.21 H new ATOM 1616 N ASN A 104 -10.313 8.088 -12.117 1.00 0.22 N ATOM 1617 CA ASN A 104 -11.178 9.004 -12.790 1.00 64.22 C ATOM 1618 C ASN A 104 -12.440 8.243 -13.086 1.00 25.22 C ATOM 1619 O ASN A 104 -12.420 7.002 -13.086 1.00 14.13 O ATOM 1620 CB ASN A 104 -10.538 9.512 -14.113 1.00 43.22 C ATOM 1621 CG ASN A 104 -11.431 10.479 -14.881 1.00 50.21 C ATOM 1622 OD1 ASN A 104 -12.232 11.214 -14.298 1.00 34.24 O ATOM 1623 ND2 ASN A 104 -11.310 10.482 -16.179 1.00 1.45 N ATOM 0 H ASN A 104 -10.711 7.152 -12.037 1.00 0.22 H new ATOM 0 HA ASN A 104 -11.368 9.882 -12.173 1.00 64.22 H new ATOM 0 HB2 ASN A 104 -9.592 10.004 -13.886 1.00 43.22 H new ATOM 0 HB3 ASN A 104 -10.308 8.657 -14.749 1.00 43.22 H new ATOM 0 HD21 ASN A 104 -11.888 11.105 -16.744 1.00 1.45 H new ATOM 0 HD22 ASN A 104 -10.638 9.861 -16.630 1.00 1.45 H new ATOM 1630 N ARG A 105 -13.519 8.949 -13.305 1.00 41.02 N ATOM 1631 CA ARG A 105 -14.786 8.336 -13.636 1.00 23.25 C ATOM 1632 C ARG A 105 -14.668 7.646 -14.994 1.00 3.03 C ATOM 1633 O ARG A 105 -15.317 6.618 -15.237 1.00 54.14 O ATOM 1634 CB ARG A 105 -15.870 9.403 -13.704 1.00 44.24 C ATOM 1635 CG ARG A 105 -16.083 10.201 -12.423 1.00 23.01 C ATOM 1636 CD ARG A 105 -16.586 9.341 -11.277 1.00 23.30 C ATOM 1637 NE ARG A 105 -16.846 10.142 -10.074 1.00 72.12 N ATOM 1638 CZ ARG A 105 -17.277 9.660 -8.896 1.00 72.43 C ATOM 1639 NH1 ARG A 105 -17.503 8.357 -8.746 1.00 51.30 N ATOM 1640 NH2 ARG A 105 -17.478 10.487 -7.876 1.00 75.45 N ATOM 0 H ARG A 105 -13.547 9.968 -13.260 1.00 41.02 H new ATOM 0 HA ARG A 105 -15.048 7.605 -12.871 1.00 23.25 H new ATOM 0 HB2 ARG A 105 -15.623 10.097 -14.507 1.00 44.24 H new ATOM 0 HB3 ARG A 105 -16.811 8.924 -13.974 1.00 44.24 H new ATOM 0 HG2 ARG A 105 -15.144 10.673 -12.133 1.00 23.01 H new ATOM 0 HG3 ARG A 105 -16.798 11.002 -12.613 1.00 23.01 H new ATOM 0 HD2 ARG A 105 -17.500 8.830 -11.579 1.00 23.30 H new ATOM 0 HD3 ARG A 105 -15.850 8.570 -11.049 1.00 23.30 H new ATOM 0 HE ARG A 105 -16.686 11.147 -10.138 1.00 72.12 H new ATOM 0 HH11 ARG A 105 -17.349 7.719 -9.527 1.00 51.30 H new ATOM 0 HH12 ARG A 105 -17.830 7.996 -7.850 1.00 51.30 H new ATOM 0 HH21 ARG A 105 -17.305 11.486 -7.988 1.00 75.45 H new ATOM 0 HH22 ARG A 105 -17.805 10.123 -6.981 1.00 75.45 H new ATOM 1654 N GLU A 106 -13.809 8.243 -15.852 1.00 42.11 N ATOM 1655 CA GLU A 106 -13.508 7.792 -17.211 1.00 21.44 C ATOM 1656 C GLU A 106 -14.648 8.166 -18.157 1.00 14.43 C ATOM 1657 O GLU A 106 -15.792 8.300 -17.728 1.00 62.43 O ATOM 1658 CB GLU A 106 -13.145 6.277 -17.256 1.00 4.24 C ATOM 1659 CG GLU A 106 -12.687 5.770 -18.618 1.00 5.20 C ATOM 1660 CD GLU A 106 -11.500 6.545 -19.142 1.00 44.22 C ATOM 1661 OE1 GLU A 106 -10.337 6.189 -18.821 1.00 13.53 O ATOM 1662 OE2 GLU A 106 -11.706 7.540 -19.870 1.00 35.31 O ATOM 0 H GLU A 106 -13.292 9.084 -15.597 1.00 42.11 H new ATOM 0 HA GLU A 106 -12.616 8.312 -17.559 1.00 21.44 H new ATOM 0 HB2 GLU A 106 -12.356 6.085 -16.528 1.00 4.24 H new ATOM 0 HB3 GLU A 106 -14.015 5.700 -16.943 1.00 4.24 H new ATOM 0 HG2 GLU A 106 -12.426 4.714 -18.543 1.00 5.20 H new ATOM 0 HG3 GLU A 106 -13.511 5.845 -19.328 1.00 5.20 H new ATOM 1669 N LYS A 107 -14.324 8.369 -19.431 1.00 35.11 N ATOM 1670 CA LYS A 107 -15.307 8.774 -20.425 1.00 1.52 C ATOM 1671 C LYS A 107 -16.444 7.768 -20.464 1.00 20.23 C ATOM 1672 O LYS A 107 -17.630 8.134 -20.423 1.00 41.23 O ATOM 1673 CB LYS A 107 -14.653 8.916 -21.788 1.00 14.12 C ATOM 1674 CG LYS A 107 -15.585 9.420 -22.857 1.00 21.20 C ATOM 1675 CD LYS A 107 -14.849 9.641 -24.148 1.00 25.25 C ATOM 1676 CE LYS A 107 -15.751 10.236 -25.193 1.00 62.42 C ATOM 1677 NZ LYS A 107 -15.024 10.478 -26.447 1.00 21.01 N ATOM 0 H LYS A 107 -13.379 8.258 -19.799 1.00 35.11 H new ATOM 0 HA LYS A 107 -15.717 9.746 -20.149 1.00 1.52 H new ATOM 0 HB2 LYS A 107 -13.806 9.598 -21.706 1.00 14.12 H new ATOM 0 HB3 LYS A 107 -14.255 7.948 -22.093 1.00 14.12 H new ATOM 0 HG2 LYS A 107 -16.391 8.702 -23.011 1.00 21.20 H new ATOM 0 HG3 LYS A 107 -16.047 10.352 -22.533 1.00 21.20 H new ATOM 0 HD2 LYS A 107 -14.000 10.303 -23.977 1.00 25.25 H new ATOM 0 HD3 LYS A 107 -14.447 8.694 -24.507 1.00 25.25 H new ATOM 0 HE2 LYS A 107 -16.589 9.564 -25.379 1.00 62.42 H new ATOM 0 HE3 LYS A 107 -16.169 11.173 -24.825 1.00 62.42 H new ATOM 0 HZ1 LYS A 107 -15.671 10.889 -27.150 1.00 21.01 H new ATOM 0 HZ2 LYS A 107 -14.239 11.138 -26.272 1.00 21.01 H new ATOM 0 HZ3 LYS A 107 -14.646 9.579 -26.808 1.00 21.01 H new ATOM 1691 N THR A 108 -16.088 6.516 -20.537 1.00 22.24 N ATOM 1692 CA THR A 108 -17.042 5.479 -20.385 1.00 61.24 C ATOM 1693 C THR A 108 -17.087 5.120 -18.907 1.00 73.14 C ATOM 1694 O THR A 108 -16.288 4.300 -18.426 1.00 74.24 O ATOM 1695 CB THR A 108 -16.684 4.233 -21.235 1.00 63.45 C ATOM 1696 OG1 THR A 108 -15.339 3.810 -20.930 1.00 1.34 O ATOM 1697 CG2 THR A 108 -16.801 4.533 -22.722 1.00 44.00 C ATOM 0 H THR A 108 -15.133 6.198 -20.703 1.00 22.24 H new ATOM 0 HA THR A 108 -18.015 5.822 -20.736 1.00 61.24 H new ATOM 0 HB THR A 108 -17.387 3.437 -20.990 1.00 63.45 H new ATOM 0 HG1 THR A 108 -15.195 3.850 -19.961 1.00 1.34 H new ATOM 0 HG21 THR A 108 -16.544 3.642 -23.294 1.00 44.00 H new ATOM 0 HG22 THR A 108 -17.824 4.831 -22.954 1.00 44.00 H new ATOM 0 HG23 THR A 108 -16.119 5.342 -22.985 1.00 44.00 H new ATOM 1705 N GLY A 109 -17.943 5.792 -18.173 1.00 51.41 N ATOM 1706 CA GLY A 109 -18.010 5.549 -16.763 1.00 53.45 C ATOM 1707 C GLY A 109 -18.534 6.730 -15.989 1.00 11.35 C ATOM 1708 O GLY A 109 -19.161 6.548 -14.946 1.00 55.10 O ATOM 0 H GLY A 109 -18.589 6.498 -18.526 1.00 51.41 H new ATOM 0 HA2 GLY A 109 -18.651 4.687 -16.578 1.00 53.45 H new ATOM 0 HA3 GLY A 109 -17.016 5.292 -16.396 1.00 53.45 H new ATOM 1712 N GLU A 110 -18.248 7.948 -16.467 1.00 73.51 N ATOM 1713 CA GLU A 110 -18.777 9.161 -15.839 1.00 42.30 C ATOM 1714 C GLU A 110 -20.293 9.194 -15.920 1.00 5.22 C ATOM 1715 O GLU A 110 -20.873 9.557 -16.953 1.00 12.51 O ATOM 1716 CB GLU A 110 -18.119 10.450 -16.384 1.00 63.43 C ATOM 1717 CG GLU A 110 -18.170 10.631 -17.894 1.00 31.32 C ATOM 1718 CD GLU A 110 -17.553 11.938 -18.319 1.00 31.33 C ATOM 1719 OE1 GLU A 110 -16.316 12.045 -18.343 1.00 41.24 O ATOM 1720 OE2 GLU A 110 -18.303 12.894 -18.637 1.00 1.21 O ATOM 0 H GLU A 110 -17.657 8.117 -17.281 1.00 73.51 H new ATOM 0 HA GLU A 110 -18.509 9.127 -14.783 1.00 42.30 H new ATOM 0 HB2 GLU A 110 -18.603 11.308 -15.917 1.00 63.43 H new ATOM 0 HB3 GLU A 110 -17.075 10.463 -16.070 1.00 63.43 H new ATOM 0 HG2 GLU A 110 -17.646 9.807 -18.377 1.00 31.32 H new ATOM 0 HG3 GLU A 110 -19.206 10.591 -18.231 1.00 31.32 H new ATOM 1727 N SER A 111 -20.915 8.784 -14.818 1.00 11.11 N ATOM 1728 CA SER A 111 -22.332 8.589 -14.721 1.00 70.33 C ATOM 1729 C SER A 111 -22.726 7.473 -15.692 1.00 64.10 C ATOM 1730 O SER A 111 -22.990 7.726 -16.873 1.00 62.31 O ATOM 1731 CB SER A 111 -23.124 9.897 -14.973 1.00 11.24 C ATOM 1732 OG SER A 111 -24.526 9.719 -14.788 1.00 73.11 O ATOM 0 H SER A 111 -20.420 8.576 -13.951 1.00 11.11 H new ATOM 0 HA SER A 111 -22.591 8.294 -13.704 1.00 70.33 H new ATOM 0 HB2 SER A 111 -22.765 10.673 -14.297 1.00 11.24 H new ATOM 0 HB3 SER A 111 -22.934 10.245 -15.988 1.00 11.24 H new ATOM 0 HG SER A 111 -24.988 10.567 -14.955 1.00 73.11 H new ATOM 1738 N ASN A 112 -22.678 6.233 -15.195 1.00 23.00 N ATOM 1739 CA ASN A 112 -22.962 5.043 -16.004 1.00 53.33 C ATOM 1740 C ASN A 112 -24.290 5.159 -16.699 1.00 54.03 C ATOM 1741 O ASN A 112 -25.354 5.092 -16.066 1.00 22.01 O ATOM 1742 CB ASN A 112 -22.892 3.743 -15.179 1.00 74.44 C ATOM 1743 CG ASN A 112 -21.491 3.409 -14.688 1.00 30.34 C ATOM 1744 OD1 ASN A 112 -20.487 3.742 -15.330 1.00 62.12 O ATOM 1745 ND2 ASN A 112 -21.406 2.733 -13.574 1.00 73.51 N ATOM 0 H ASN A 112 -22.442 6.026 -14.224 1.00 23.00 H new ATOM 0 HA ASN A 112 -22.180 4.988 -16.762 1.00 53.33 H new ATOM 0 HB2 ASN A 112 -23.558 3.831 -14.320 1.00 74.44 H new ATOM 0 HB3 ASN A 112 -23.262 2.917 -15.786 1.00 74.44 H new ATOM 0 HD21 ASN A 112 -20.492 2.464 -13.209 1.00 73.51 H new ATOM 0 HD22 ASN A 112 -22.253 2.474 -13.069 1.00 73.51 H new ATOM 1752 N CYS A 113 -24.215 5.360 -17.996 1.00 72.33 N ATOM 1753 CA CYS A 113 -25.361 5.563 -18.830 1.00 54.23 C ATOM 1754 C CYS A 113 -26.206 4.319 -18.936 1.00 1.13 C ATOM 1755 O CYS A 113 -25.692 3.210 -19.118 1.00 3.04 O ATOM 1756 CB CYS A 113 -24.904 6.032 -20.217 1.00 52.01 C ATOM 1757 SG CYS A 113 -23.652 4.975 -20.992 1.00 44.52 S ATOM 0 H CYS A 113 -23.331 5.386 -18.504 1.00 72.33 H new ATOM 0 HA CYS A 113 -25.986 6.331 -18.374 1.00 54.23 H new ATOM 0 HB2 CYS A 113 -25.773 6.086 -20.873 1.00 52.01 H new ATOM 0 HB3 CYS A 113 -24.506 7.043 -20.132 1.00 52.01 H new ATOM 0 HG CYS A 113 -23.840 3.741 -20.628 1.00 44.52 H new ATOM 1763 N CYS A 114 -27.486 4.487 -18.789 1.00 73.13 N ATOM 1764 CA CYS A 114 -28.391 3.406 -18.947 1.00 53.44 C ATOM 1765 C CYS A 114 -28.739 3.251 -20.425 1.00 5.31 C ATOM 1766 O CYS A 114 -29.671 3.880 -20.944 1.00 72.40 O ATOM 1767 CB CYS A 114 -29.631 3.615 -18.074 1.00 1.55 C ATOM 1768 SG CYS A 114 -30.503 5.176 -18.376 1.00 11.42 S ATOM 0 H CYS A 114 -27.924 5.378 -18.557 1.00 73.13 H new ATOM 0 HA CYS A 114 -27.925 2.479 -18.613 1.00 53.44 H new ATOM 0 HB2 CYS A 114 -30.322 2.789 -18.241 1.00 1.55 H new ATOM 0 HB3 CYS A 114 -29.334 3.575 -17.026 1.00 1.55 H new ATOM 0 HG CYS A 114 -30.574 5.393 -19.656 1.00 11.42 H new ATOM 1774 N VAL A 115 -27.924 2.496 -21.111 1.00 65.22 N ATOM 1775 CA VAL A 115 -28.101 2.260 -22.518 1.00 51.14 C ATOM 1776 C VAL A 115 -28.372 0.784 -22.782 1.00 52.05 C ATOM 1777 O VAL A 115 -27.638 -0.097 -22.298 1.00 0.03 O ATOM 1778 CB VAL A 115 -26.879 2.776 -23.359 1.00 23.10 C ATOM 1779 CG1 VAL A 115 -25.566 2.133 -22.919 1.00 13.13 C ATOM 1780 CG2 VAL A 115 -27.109 2.561 -24.852 1.00 25.32 C ATOM 0 H VAL A 115 -27.114 2.025 -20.707 1.00 65.22 H new ATOM 0 HA VAL A 115 -28.970 2.832 -22.842 1.00 51.14 H new ATOM 0 HB VAL A 115 -26.796 3.847 -23.173 1.00 23.10 H new ATOM 0 HG11 VAL A 115 -24.749 2.520 -23.528 1.00 13.13 H new ATOM 0 HG12 VAL A 115 -25.379 2.367 -21.871 1.00 13.13 H new ATOM 0 HG13 VAL A 115 -25.631 1.052 -23.043 1.00 13.13 H new ATOM 0 HG21 VAL A 115 -26.247 2.928 -25.409 1.00 25.32 H new ATOM 0 HG22 VAL A 115 -27.244 1.498 -25.050 1.00 25.32 H new ATOM 0 HG23 VAL A 115 -28.001 3.104 -25.165 1.00 25.32 H new ATOM 1790 N ILE A 116 -29.432 0.514 -23.502 1.00 71.50 N ATOM 1791 CA ILE A 116 -29.801 -0.833 -23.834 1.00 11.42 C ATOM 1792 C ILE A 116 -30.714 -0.864 -25.066 1.00 54.11 C ATOM 1793 O ILE A 116 -31.869 -0.422 -25.028 1.00 61.43 O ATOM 1794 CB ILE A 116 -30.443 -1.584 -22.615 1.00 61.51 C ATOM 1795 CG1 ILE A 116 -30.835 -3.018 -22.994 1.00 25.21 C ATOM 1796 CG2 ILE A 116 -31.636 -0.810 -22.041 1.00 14.33 C ATOM 1797 CD1 ILE A 116 -31.358 -3.841 -21.838 1.00 13.44 C ATOM 0 H ILE A 116 -30.062 1.225 -23.873 1.00 71.50 H new ATOM 0 HA ILE A 116 -28.887 -1.371 -24.085 1.00 11.42 H new ATOM 0 HB ILE A 116 -29.689 -1.643 -21.830 1.00 61.51 H new ATOM 0 HG12 ILE A 116 -31.596 -2.981 -23.773 1.00 25.21 H new ATOM 0 HG13 ILE A 116 -29.966 -3.520 -23.420 1.00 25.21 H new ATOM 0 HG21 ILE A 116 -32.055 -1.360 -21.199 1.00 14.33 H new ATOM 0 HG22 ILE A 116 -31.304 0.172 -21.704 1.00 14.33 H new ATOM 0 HG23 ILE A 116 -32.398 -0.691 -22.812 1.00 14.33 H new ATOM 0 HD11 ILE A 116 -31.613 -4.841 -22.189 1.00 13.44 H new ATOM 0 HD12 ILE A 116 -30.592 -3.912 -21.066 1.00 13.44 H new ATOM 0 HD13 ILE A 116 -32.247 -3.364 -21.425 1.00 13.44 H new ATOM 1809 N LEU A 117 -30.168 -1.330 -26.160 1.00 22.24 N ATOM 1810 CA LEU A 117 -30.886 -1.457 -27.404 1.00 21.34 C ATOM 1811 C LEU A 117 -30.105 -2.441 -28.250 1.00 31.12 C ATOM 1812 O LEU A 117 -30.429 -3.629 -28.227 1.00 38.18 O ATOM 1813 CB LEU A 117 -31.032 -0.057 -28.102 1.00 31.25 C ATOM 1814 CG LEU A 117 -31.976 0.074 -29.346 1.00 13.44 C ATOM 1815 CD1 LEU A 117 -31.500 -0.725 -30.556 1.00 70.04 C ATOM 1816 CD2 LEU A 117 -33.403 -0.311 -28.982 1.00 20.43 C ATOM 1817 OXT LEU A 117 -29.125 -2.038 -28.890 1.00 38.18 O ATOM 0 H LEU A 117 -29.197 -1.637 -26.213 1.00 22.24 H new ATOM 0 HA LEU A 117 -31.902 -1.821 -27.249 1.00 21.34 H new ATOM 0 HB2 LEU A 117 -31.378 0.652 -27.350 1.00 31.25 H new ATOM 0 HB3 LEU A 117 -30.036 0.264 -28.408 1.00 31.25 H new ATOM 0 HG LEU A 117 -31.948 1.124 -29.639 1.00 13.44 H new ATOM 0 HD11 LEU A 117 -32.200 -0.589 -31.380 1.00 70.04 H new ATOM 0 HD12 LEU A 117 -30.512 -0.376 -30.857 1.00 70.04 H new ATOM 0 HD13 LEU A 117 -31.447 -1.782 -30.296 1.00 70.04 H new ATOM 0 HD21 LEU A 117 -34.042 -0.213 -29.860 1.00 20.43 H new ATOM 0 HD22 LEU A 117 -33.423 -1.343 -28.632 1.00 20.43 H new ATOM 0 HD23 LEU A 117 -33.767 0.347 -28.193 1.00 20.43 H new TER 1829 LEU A 117