USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 455 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 Single : A 47 SER OG : rot -55:sc= 0.663 USER MOD Single : A 48 ASN : amide:sc= -0.0924 X(o=-0.092,f=-0.1) USER MOD Single : A 52 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.214 F(o=-1.1,f=-0.21) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00186) USER MOD Single : A 75 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.3!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 80 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.8) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.06 (180deg=-0.373) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc=-0.00118 (180deg=-0.107) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0506) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 7.855 2.951 -0.287 1.00 53.14 N ATOM 2 CA GLY A 46 7.911 3.640 -1.564 1.00 34.43 C ATOM 3 C GLY A 46 6.623 3.504 -2.352 1.00 41.42 C ATOM 4 O GLY A 46 5.555 3.290 -1.778 1.00 64.04 O ATOM 0 HA2 GLY A 46 8.120 4.696 -1.395 1.00 34.43 H new ATOM 0 HA3 GLY A 46 8.737 3.242 -2.153 1.00 34.43 H new ATOM 8 N SER A 47 6.723 3.632 -3.672 1.00 32.45 N ATOM 9 CA SER A 47 5.556 3.528 -4.540 1.00 31.31 C ATOM 10 C SER A 47 4.492 4.547 -4.145 1.00 1.55 C ATOM 11 O SER A 47 3.302 4.238 -4.111 1.00 21.43 O ATOM 12 CB SER A 47 4.972 2.115 -4.478 1.00 62.13 C ATOM 13 OG SER A 47 3.902 1.965 -5.395 1.00 30.10 O ATOM 0 H SER A 47 7.600 3.808 -4.163 1.00 32.45 H new ATOM 0 HA SER A 47 5.874 3.738 -5.561 1.00 31.31 H new ATOM 0 HB2 SER A 47 5.751 1.386 -4.701 1.00 62.13 H new ATOM 0 HB3 SER A 47 4.621 1.907 -3.467 1.00 62.13 H new ATOM 0 HG SER A 47 3.229 2.658 -5.228 1.00 30.10 H new ATOM 19 N ASN A 48 4.931 5.766 -3.846 1.00 64.12 N ATOM 20 CA ASN A 48 4.018 6.832 -3.452 1.00 51.43 C ATOM 21 C ASN A 48 3.470 7.559 -4.677 1.00 34.23 C ATOM 22 O ASN A 48 4.032 7.496 -5.770 1.00 73.43 O ATOM 23 CB ASN A 48 4.728 7.826 -2.531 1.00 43.53 C ATOM 24 CG ASN A 48 4.455 7.553 -1.065 1.00 15.51 C ATOM 25 OD1 ASN A 48 3.998 8.432 -0.333 1.00 44.11 O ATOM 26 ND2 ASN A 48 4.733 6.330 -0.629 1.00 11.41 N ATOM 0 H ASN A 48 5.913 6.039 -3.869 1.00 64.12 H new ATOM 0 HA ASN A 48 3.183 6.381 -2.915 1.00 51.43 H new ATOM 0 HB2 ASN A 48 5.802 7.782 -2.712 1.00 43.53 H new ATOM 0 HB3 ASN A 48 4.405 8.838 -2.775 1.00 43.53 H new ATOM 0 HD21 ASN A 48 4.569 6.087 0.348 1.00 11.41 H new ATOM 0 HD22 ASN A 48 5.110 5.633 -1.271 1.00 11.41 H new ATOM 33 N PRO A 49 2.345 8.267 -4.491 1.00 25.53 N ATOM 34 CA PRO A 49 1.697 9.020 -5.568 1.00 71.21 C ATOM 35 C PRO A 49 2.509 10.238 -5.995 1.00 24.44 C ATOM 36 O PRO A 49 3.664 10.395 -5.598 1.00 1.34 O ATOM 37 CB PRO A 49 0.368 9.455 -4.946 1.00 74.02 C ATOM 38 CG PRO A 49 0.627 9.482 -3.479 1.00 54.24 C ATOM 39 CD PRO A 49 1.621 8.386 -3.214 1.00 44.31 C ATOM 0 HA PRO A 49 1.585 8.422 -6.473 1.00 71.21 H new ATOM 0 HB2 PRO A 49 0.062 10.435 -5.312 1.00 74.02 H new ATOM 0 HB3 PRO A 49 -0.432 8.758 -5.194 1.00 74.02 H new ATOM 0 HG2 PRO A 49 1.022 10.450 -3.170 1.00 54.24 H new ATOM 0 HG3 PRO A 49 -0.293 9.319 -2.917 1.00 54.24 H new ATOM 0 HD2 PRO A 49 2.292 8.642 -2.394 1.00 44.31 H new ATOM 0 HD3 PRO A 49 1.128 7.453 -2.943 1.00 44.31 H new ATOM 47 N ASP A 50 1.899 11.096 -6.804 1.00 63.13 N ATOM 48 CA ASP A 50 2.566 12.301 -7.284 1.00 0.15 C ATOM 49 C ASP A 50 1.677 13.526 -7.093 1.00 2.22 C ATOM 50 O ASP A 50 0.464 13.421 -6.910 1.00 3.12 O ATOM 51 CB ASP A 50 2.939 12.151 -8.759 1.00 70.12 C ATOM 52 CG ASP A 50 4.374 11.702 -8.951 1.00 23.12 C ATOM 53 OD1 ASP A 50 5.262 12.243 -8.259 1.00 60.31 O ATOM 54 OD2 ASP A 50 4.610 10.810 -9.793 1.00 50.21 O ATOM 0 H ASP A 50 0.944 10.980 -7.142 1.00 63.13 H new ATOM 0 HA ASP A 50 3.476 12.440 -6.700 1.00 0.15 H new ATOM 0 HB2 ASP A 50 2.270 11.430 -9.228 1.00 70.12 H new ATOM 0 HB3 ASP A 50 2.788 13.103 -9.267 1.00 70.12 H new ATOM 59 N PRO A 51 2.293 14.717 -7.135 1.00 62.02 N ATOM 60 CA PRO A 51 1.577 15.985 -6.969 1.00 11.14 C ATOM 61 C PRO A 51 0.673 16.301 -8.155 1.00 71.54 C ATOM 62 O PRO A 51 -0.075 17.278 -8.134 1.00 60.42 O ATOM 63 CB PRO A 51 2.703 17.017 -6.865 1.00 15.24 C ATOM 64 CG PRO A 51 3.852 16.398 -7.583 1.00 13.14 C ATOM 65 CD PRO A 51 3.736 14.917 -7.350 1.00 2.14 C ATOM 0 HA PRO A 51 0.914 15.968 -6.104 1.00 11.14 H new ATOM 0 HB2 PRO A 51 2.415 17.964 -7.321 1.00 15.24 H new ATOM 0 HB3 PRO A 51 2.953 17.227 -5.825 1.00 15.24 H new ATOM 0 HG2 PRO A 51 3.817 16.630 -8.648 1.00 13.14 H new ATOM 0 HG3 PRO A 51 4.800 16.780 -7.204 1.00 13.14 H new ATOM 0 HD2 PRO A 51 4.098 14.346 -8.205 1.00 2.14 H new ATOM 0 HD3 PRO A 51 4.319 14.599 -6.485 1.00 2.14 H new ATOM 73 N GLN A 52 0.747 15.467 -9.188 1.00 22.00 N ATOM 74 CA GLN A 52 -0.065 15.658 -10.384 1.00 11.54 C ATOM 75 C GLN A 52 -1.413 14.958 -10.244 1.00 2.40 C ATOM 76 O GLN A 52 -2.437 15.469 -10.696 1.00 71.20 O ATOM 77 CB GLN A 52 0.672 15.131 -11.616 1.00 54.21 C ATOM 78 CG GLN A 52 0.963 13.640 -11.559 1.00 53.34 C ATOM 79 CD GLN A 52 2.201 13.257 -12.345 1.00 50.15 C ATOM 80 OE1 GLN A 52 2.981 14.117 -12.756 1.00 13.21 O ATOM 81 NE2 GLN A 52 2.389 11.960 -12.560 1.00 12.14 N ATOM 0 H GLN A 52 1.361 14.653 -9.220 1.00 22.00 H new ATOM 0 HA GLN A 52 -0.242 16.727 -10.506 1.00 11.54 H new ATOM 0 HB2 GLN A 52 0.076 15.343 -12.504 1.00 54.21 H new ATOM 0 HB3 GLN A 52 1.612 15.672 -11.726 1.00 54.21 H new ATOM 0 HG2 GLN A 52 1.089 13.338 -10.519 1.00 53.34 H new ATOM 0 HG3 GLN A 52 0.106 13.091 -11.949 1.00 53.34 H new ATOM 0 HE21 GLN A 52 1.718 11.281 -12.201 1.00 12.14 H new ATOM 0 HE22 GLN A 52 3.205 11.643 -13.084 1.00 12.14 H new ATOM 90 N GLU A 53 -1.403 13.787 -9.616 1.00 34.15 N ATOM 91 CA GLU A 53 -2.626 13.017 -9.418 1.00 61.11 C ATOM 92 C GLU A 53 -3.293 13.384 -8.095 1.00 44.25 C ATOM 93 O GLU A 53 -4.517 13.475 -8.009 1.00 33.33 O ATOM 94 CB GLU A 53 -2.321 11.518 -9.449 1.00 74.23 C ATOM 95 CG GLU A 53 -3.533 10.657 -9.763 1.00 74.12 C ATOM 96 CD GLU A 53 -4.252 11.098 -11.024 1.00 3.24 C ATOM 97 OE1 GLU A 53 -3.566 11.476 -11.997 1.00 32.25 O ATOM 98 OE2 GLU A 53 -5.500 11.065 -11.037 1.00 12.35 O ATOM 0 H GLU A 53 -0.563 13.351 -9.236 1.00 34.15 H new ATOM 0 HA GLU A 53 -3.312 13.258 -10.230 1.00 61.11 H new ATOM 0 HB2 GLU A 53 -1.548 11.328 -10.194 1.00 74.23 H new ATOM 0 HB3 GLU A 53 -1.913 11.219 -8.483 1.00 74.23 H new ATOM 0 HG2 GLU A 53 -3.218 9.619 -9.873 1.00 74.12 H new ATOM 0 HG3 GLU A 53 -4.226 10.692 -8.923 1.00 74.12 H new ATOM 105 N VAL A 54 -2.477 13.594 -7.067 1.00 13.42 N ATOM 106 CA VAL A 54 -2.987 13.952 -5.748 1.00 44.23 C ATOM 107 C VAL A 54 -3.634 15.332 -5.765 1.00 52.34 C ATOM 108 O VAL A 54 -4.768 15.502 -5.317 1.00 62.33 O ATOM 109 CB VAL A 54 -1.867 13.936 -4.691 1.00 31.43 C ATOM 110 CG1 VAL A 54 -2.426 14.271 -3.316 1.00 43.23 C ATOM 111 CG2 VAL A 54 -1.169 12.584 -4.676 1.00 44.30 C ATOM 0 H VAL A 54 -1.461 13.523 -7.122 1.00 13.42 H new ATOM 0 HA VAL A 54 -3.737 13.206 -5.485 1.00 44.23 H new ATOM 0 HB VAL A 54 -1.132 14.697 -4.954 1.00 31.43 H new ATOM 0 HG11 VAL A 54 -1.620 14.255 -2.582 1.00 43.23 H new ATOM 0 HG12 VAL A 54 -2.877 15.263 -3.338 1.00 43.23 H new ATOM 0 HG13 VAL A 54 -3.182 13.535 -3.041 1.00 43.23 H new ATOM 0 HG21 VAL A 54 -0.380 12.590 -3.924 1.00 44.30 H new ATOM 0 HG22 VAL A 54 -1.892 11.804 -4.438 1.00 44.30 H new ATOM 0 HG23 VAL A 54 -0.734 12.388 -5.656 1.00 44.30 H new ATOM 121 N GLN A 55 -2.906 16.315 -6.286 1.00 14.01 N ATOM 122 CA GLN A 55 -3.411 17.681 -6.361 1.00 44.10 C ATOM 123 C GLN A 55 -4.794 17.716 -7.001 1.00 53.24 C ATOM 124 O GLN A 55 -5.726 18.308 -6.457 1.00 12.24 O ATOM 125 CB GLN A 55 -2.445 18.561 -7.157 1.00 62.40 C ATOM 126 CG GLN A 55 -2.995 19.944 -7.465 1.00 22.01 C ATOM 127 CD GLN A 55 -1.936 21.026 -7.378 1.00 31.52 C ATOM 128 OE1 GLN A 55 -1.277 21.118 -6.229 1.00 1.34 O flip ATOM 129 NE2 GLN A 55 -1.713 21.770 -8.333 1.00 20.13 N flip ATOM 0 H GLN A 55 -1.966 16.191 -6.662 1.00 14.01 H new ATOM 0 HA GLN A 55 -3.491 18.068 -5.345 1.00 44.10 H new ATOM 0 HB2 GLN A 55 -1.516 18.665 -6.597 1.00 62.40 H new ATOM 0 HB3 GLN A 55 -2.198 18.060 -8.093 1.00 62.40 H new ATOM 0 HG2 GLN A 55 -3.428 19.944 -8.465 1.00 22.01 H new ATOM 0 HG3 GLN A 55 -3.802 20.173 -6.769 1.00 22.01 H new ATOM 0 HE21 GLN A 55 -2.244 21.663 -9.197 1.00 20.13 H new ATOM 0 HE22 GLN A 55 -0.997 22.493 -8.260 1.00 20.13 H new ATOM 138 N ARG A 56 -4.921 17.079 -8.161 1.00 23.23 N ATOM 139 CA ARG A 56 -6.190 17.039 -8.876 1.00 35.40 C ATOM 140 C ARG A 56 -7.312 16.547 -7.966 1.00 30.04 C ATOM 141 O ARG A 56 -8.476 16.901 -8.151 1.00 42.50 O ATOM 142 CB ARG A 56 -6.081 16.132 -10.103 1.00 25.40 C ATOM 143 CG ARG A 56 -5.218 16.710 -11.213 1.00 14.41 C ATOM 144 CD ARG A 56 -6.068 17.295 -12.330 1.00 43.54 C ATOM 145 NE ARG A 56 -6.728 18.534 -11.925 1.00 61.42 N ATOM 146 CZ ARG A 56 -7.663 19.139 -12.649 1.00 32.41 C ATOM 147 NH1 ARG A 56 -8.046 18.622 -13.808 1.00 55.02 N ATOM 148 NH2 ARG A 56 -8.217 20.263 -12.213 1.00 34.31 N ATOM 0 H ARG A 56 -4.160 16.584 -8.625 1.00 23.23 H new ATOM 0 HA ARG A 56 -6.426 18.052 -9.201 1.00 35.40 H new ATOM 0 HB2 ARG A 56 -5.669 15.170 -9.798 1.00 25.40 H new ATOM 0 HB3 ARG A 56 -7.081 15.941 -10.493 1.00 25.40 H new ATOM 0 HG2 ARG A 56 -4.568 17.484 -10.805 1.00 14.41 H new ATOM 0 HG3 ARG A 56 -4.571 15.931 -11.616 1.00 14.41 H new ATOM 0 HD2 ARG A 56 -5.441 17.486 -13.201 1.00 43.54 H new ATOM 0 HD3 ARG A 56 -6.820 16.566 -12.633 1.00 43.54 H new ATOM 0 HE ARG A 56 -6.456 18.958 -11.038 1.00 61.42 H new ATOM 0 HH11 ARG A 56 -7.623 17.758 -14.146 1.00 55.02 H new ATOM 0 HH12 ARG A 56 -8.764 19.088 -14.362 1.00 55.02 H new ATOM 0 HH21 ARG A 56 -7.925 20.663 -11.321 1.00 34.31 H new ATOM 0 HH22 ARG A 56 -8.935 20.727 -12.769 1.00 34.31 H new ATOM 162 N ALA A 57 -6.953 15.728 -6.982 1.00 40.32 N ATOM 163 CA ALA A 57 -7.928 15.189 -6.042 1.00 52.35 C ATOM 164 C ALA A 57 -8.175 16.158 -4.891 1.00 51.54 C ATOM 165 O ALA A 57 -9.266 16.196 -4.321 1.00 32.11 O ATOM 166 CB ALA A 57 -7.460 13.843 -5.510 1.00 70.02 C ATOM 0 H ALA A 57 -5.994 15.424 -6.816 1.00 40.32 H new ATOM 0 HA ALA A 57 -8.869 15.050 -6.573 1.00 52.35 H new ATOM 0 HB1 ALA A 57 -8.198 13.452 -4.809 1.00 70.02 H new ATOM 0 HB2 ALA A 57 -7.342 13.145 -6.339 1.00 70.02 H new ATOM 0 HB3 ALA A 57 -6.504 13.966 -5.000 1.00 70.02 H new ATOM 172 N LEU A 58 -7.156 16.941 -4.554 1.00 21.31 N ATOM 173 CA LEU A 58 -7.262 17.911 -3.469 1.00 72.44 C ATOM 174 C LEU A 58 -8.484 18.805 -3.656 1.00 62.33 C ATOM 175 O LEU A 58 -9.131 19.198 -2.687 1.00 14.14 O ATOM 176 CB LEU A 58 -5.996 18.766 -3.398 1.00 11.01 C ATOM 177 CG LEU A 58 -5.827 19.610 -2.134 1.00 25.30 C ATOM 178 CD1 LEU A 58 -6.755 20.814 -2.167 1.00 61.24 C ATOM 179 CD2 LEU A 58 -6.085 18.769 -0.893 1.00 35.54 C ATOM 0 H LEU A 58 -6.247 16.923 -5.016 1.00 21.31 H new ATOM 0 HA LEU A 58 -7.376 17.363 -2.534 1.00 72.44 H new ATOM 0 HB2 LEU A 58 -5.132 18.108 -3.490 1.00 11.01 H new ATOM 0 HB3 LEU A 58 -5.983 19.432 -4.260 1.00 11.01 H new ATOM 0 HG LEU A 58 -4.799 19.971 -2.097 1.00 25.30 H new ATOM 0 HD11 LEU A 58 -6.620 21.402 -1.259 1.00 61.24 H new ATOM 0 HD12 LEU A 58 -6.522 21.429 -3.036 1.00 61.24 H new ATOM 0 HD13 LEU A 58 -7.789 20.475 -2.229 1.00 61.24 H new ATOM 0 HD21 LEU A 58 -5.960 19.386 -0.003 1.00 35.54 H new ATOM 0 HD22 LEU A 58 -7.102 18.378 -0.924 1.00 35.54 H new ATOM 0 HD23 LEU A 58 -5.378 17.940 -0.862 1.00 35.54 H new ATOM 191 N ALA A 59 -8.794 19.120 -4.910 1.00 22.14 N ATOM 192 CA ALA A 59 -9.940 19.964 -5.224 1.00 31.32 C ATOM 193 C ALA A 59 -11.212 19.133 -5.361 1.00 2.42 C ATOM 194 O ALA A 59 -12.321 19.656 -5.250 1.00 3.40 O ATOM 195 CB ALA A 59 -9.682 20.751 -6.500 1.00 3.22 C ATOM 0 H ALA A 59 -8.267 18.803 -5.724 1.00 22.14 H new ATOM 0 HA ALA A 59 -10.081 20.664 -4.401 1.00 31.32 H new ATOM 0 HB1 ALA A 59 -10.546 21.377 -6.722 1.00 3.22 H new ATOM 0 HB2 ALA A 59 -8.802 21.381 -6.367 1.00 3.22 H new ATOM 0 HB3 ALA A 59 -9.512 20.060 -7.326 1.00 3.22 H new ATOM 201 N ARG A 60 -11.044 17.837 -5.603 1.00 44.51 N ATOM 202 CA ARG A 60 -12.179 16.935 -5.757 1.00 44.52 C ATOM 203 C ARG A 60 -12.892 16.727 -4.425 1.00 30.24 C ATOM 204 O ARG A 60 -13.984 16.160 -4.376 1.00 53.33 O ATOM 205 CB ARG A 60 -11.715 15.589 -6.316 1.00 21.00 C ATOM 206 CG ARG A 60 -11.366 15.631 -7.795 1.00 32.22 C ATOM 207 CD ARG A 60 -12.045 14.505 -8.559 1.00 41.03 C ATOM 208 NE ARG A 60 -13.467 14.763 -8.765 1.00 55.34 N ATOM 209 CZ ARG A 60 -13.936 15.621 -9.665 1.00 2.53 C ATOM 210 NH1 ARG A 60 -13.099 16.300 -10.437 1.00 62.13 N ATOM 211 NH2 ARG A 60 -15.244 15.802 -9.793 1.00 32.11 N ATOM 0 H ARG A 60 -10.133 17.388 -5.697 1.00 44.51 H new ATOM 0 HA ARG A 60 -12.880 17.389 -6.457 1.00 44.52 H new ATOM 0 HB2 ARG A 60 -10.843 15.253 -5.755 1.00 21.00 H new ATOM 0 HB3 ARG A 60 -12.500 14.849 -6.157 1.00 21.00 H new ATOM 0 HG2 ARG A 60 -11.668 16.591 -8.214 1.00 32.22 H new ATOM 0 HG3 ARG A 60 -10.286 15.556 -7.917 1.00 32.22 H new ATOM 0 HD2 ARG A 60 -11.556 14.376 -9.525 1.00 41.03 H new ATOM 0 HD3 ARG A 60 -11.922 13.570 -8.012 1.00 41.03 H new ATOM 0 HE ARG A 60 -14.137 14.257 -8.186 1.00 55.34 H new ATOM 0 HH11 ARG A 60 -12.093 16.164 -10.341 1.00 62.13 H new ATOM 0 HH12 ARG A 60 -13.461 16.958 -11.127 1.00 62.13 H new ATOM 0 HH21 ARG A 60 -15.891 15.282 -9.200 1.00 32.11 H new ATOM 0 HH22 ARG A 60 -15.602 16.461 -10.484 1.00 32.11 H new ATOM 225 N ILE A 61 -12.267 17.187 -3.346 1.00 50.43 N ATOM 226 CA ILE A 61 -12.842 17.052 -2.014 1.00 75.40 C ATOM 227 C ILE A 61 -14.239 17.660 -1.954 1.00 14.00 C ATOM 228 O ILE A 61 -15.052 17.293 -1.104 1.00 53.42 O ATOM 229 CB ILE A 61 -11.957 17.722 -0.947 1.00 64.42 C ATOM 230 CG1 ILE A 61 -10.570 17.074 -0.924 1.00 54.30 C ATOM 231 CG2 ILE A 61 -12.614 17.628 0.422 1.00 42.12 C ATOM 232 CD1 ILE A 61 -9.545 17.870 -0.147 1.00 61.03 C ATOM 0 H ILE A 61 -11.362 17.657 -3.369 1.00 50.43 H new ATOM 0 HA ILE A 61 -12.903 15.984 -1.804 1.00 75.40 H new ATOM 0 HB ILE A 61 -11.842 18.776 -1.201 1.00 64.42 H new ATOM 0 HG12 ILE A 61 -10.650 16.078 -0.489 1.00 54.30 H new ATOM 0 HG13 ILE A 61 -10.220 16.947 -1.948 1.00 54.30 H new ATOM 0 HG21 ILE A 61 -11.976 18.106 1.165 1.00 42.12 H new ATOM 0 HG22 ILE A 61 -13.581 18.130 0.397 1.00 42.12 H new ATOM 0 HG23 ILE A 61 -12.756 16.580 0.686 1.00 42.12 H new ATOM 0 HD11 ILE A 61 -8.586 17.352 -0.173 1.00 61.03 H new ATOM 0 HD12 ILE A 61 -9.436 18.858 -0.595 1.00 61.03 H new ATOM 0 HD13 ILE A 61 -9.873 17.974 0.887 1.00 61.03 H new ATOM 244 N LEU A 62 -14.513 18.590 -2.862 1.00 40.30 N ATOM 245 CA LEU A 62 -15.813 19.249 -2.914 1.00 54.34 C ATOM 246 C LEU A 62 -16.808 18.427 -3.727 1.00 52.02 C ATOM 247 O LEU A 62 -18.019 18.519 -3.523 1.00 71.21 O ATOM 248 CB LEU A 62 -15.675 20.647 -3.520 1.00 3.20 C ATOM 249 CG LEU A 62 -15.225 21.752 -2.563 1.00 63.40 C ATOM 250 CD1 LEU A 62 -14.903 23.025 -3.330 1.00 74.34 C ATOM 251 CD2 LEU A 62 -16.294 22.015 -1.513 1.00 4.35 C ATOM 0 H LEU A 62 -13.852 18.905 -3.572 1.00 40.30 H new ATOM 0 HA LEU A 62 -16.189 19.337 -1.895 1.00 54.34 H new ATOM 0 HB2 LEU A 62 -14.963 20.595 -4.344 1.00 3.20 H new ATOM 0 HB3 LEU A 62 -16.636 20.933 -3.947 1.00 3.20 H new ATOM 0 HG LEU A 62 -14.319 21.420 -2.056 1.00 63.40 H new ATOM 0 HD11 LEU A 62 -14.585 23.800 -2.632 1.00 74.34 H new ATOM 0 HD12 LEU A 62 -14.102 22.828 -4.043 1.00 74.34 H new ATOM 0 HD13 LEU A 62 -15.791 23.362 -3.865 1.00 74.34 H new ATOM 0 HD21 LEU A 62 -15.957 22.804 -0.841 1.00 4.35 H new ATOM 0 HD22 LEU A 62 -17.217 22.325 -2.003 1.00 4.35 H new ATOM 0 HD23 LEU A 62 -16.475 21.104 -0.942 1.00 4.35 H new ATOM 263 N CYS A 63 -16.289 17.622 -4.648 1.00 75.31 N ATOM 264 CA CYS A 63 -17.131 16.781 -5.491 1.00 41.01 C ATOM 265 C CYS A 63 -17.338 15.409 -4.857 1.00 22.33 C ATOM 266 O CYS A 63 -18.465 15.015 -4.558 1.00 2.33 O ATOM 267 CB CYS A 63 -16.505 16.625 -6.878 1.00 64.42 C ATOM 268 SG CYS A 63 -15.790 18.160 -7.549 1.00 3.23 S ATOM 0 H CYS A 63 -15.289 17.534 -4.830 1.00 75.31 H new ATOM 0 HA CYS A 63 -18.102 17.266 -5.590 1.00 41.01 H new ATOM 0 HB2 CYS A 63 -15.725 15.865 -6.829 1.00 64.42 H new ATOM 0 HB3 CYS A 63 -17.265 16.259 -7.568 1.00 64.42 H new ATOM 273 N ALA A 64 -16.241 14.685 -4.654 1.00 55.22 N ATOM 274 CA ALA A 64 -16.302 13.359 -4.054 1.00 22.54 C ATOM 275 C ALA A 64 -17.145 13.369 -2.783 1.00 5.13 C ATOM 276 O ALA A 64 -18.169 12.690 -2.699 1.00 23.22 O ATOM 277 CB ALA A 64 -14.899 12.850 -3.755 1.00 12.11 C ATOM 0 H ALA A 64 -15.300 14.995 -4.897 1.00 55.22 H new ATOM 0 HA ALA A 64 -16.777 12.686 -4.768 1.00 22.54 H new ATOM 0 HB1 ALA A 64 -14.960 11.858 -3.307 1.00 12.11 H new ATOM 0 HB2 ALA A 64 -14.327 12.795 -4.681 1.00 12.11 H new ATOM 0 HB3 ALA A 64 -14.405 13.531 -3.063 1.00 12.11 H new ATOM 283 N LEU A 65 -16.708 14.143 -1.795 1.00 64.22 N ATOM 284 CA LEU A 65 -17.422 14.241 -0.527 1.00 41.41 C ATOM 285 C LEU A 65 -17.433 12.899 0.198 1.00 44.24 C ATOM 286 O LEU A 65 -18.216 12.688 1.123 1.00 65.13 O ATOM 287 CB LEU A 65 -18.856 14.718 -0.763 1.00 12.13 C ATOM 288 CG LEU A 65 -19.160 16.160 -0.354 1.00 21.12 C ATOM 289 CD1 LEU A 65 -18.199 17.122 -1.035 1.00 72.34 C ATOM 290 CD2 LEU A 65 -20.601 16.517 -0.688 1.00 31.52 C ATOM 0 H LEU A 65 -15.863 14.712 -1.848 1.00 64.22 H new ATOM 0 HA LEU A 65 -16.902 14.966 0.099 1.00 41.41 H new ATOM 0 HB2 LEU A 65 -19.085 14.606 -1.823 1.00 12.13 H new ATOM 0 HB3 LEU A 65 -19.531 14.057 -0.220 1.00 12.13 H new ATOM 0 HG LEU A 65 -19.026 16.247 0.724 1.00 21.12 H new ATOM 0 HD11 LEU A 65 -18.431 18.143 -0.732 1.00 72.34 H new ATOM 0 HD12 LEU A 65 -17.176 16.881 -0.745 1.00 72.34 H new ATOM 0 HD13 LEU A 65 -18.300 17.033 -2.117 1.00 72.34 H new ATOM 0 HD21 LEU A 65 -20.799 17.547 -0.390 1.00 31.52 H new ATOM 0 HD22 LEU A 65 -20.762 16.412 -1.761 1.00 31.52 H new ATOM 0 HD23 LEU A 65 -21.275 15.848 -0.153 1.00 31.52 H new ATOM 302 N GLY A 66 -16.556 11.995 -0.229 1.00 2.02 N ATOM 303 CA GLY A 66 -16.480 10.685 0.392 1.00 44.42 C ATOM 304 C GLY A 66 -15.305 9.871 -0.115 1.00 14.44 C ATOM 305 O GLY A 66 -14.627 9.200 0.662 1.00 10.22 O ATOM 0 H GLY A 66 -15.897 12.146 -0.993 1.00 2.02 H new ATOM 0 HA2 GLY A 66 -16.398 10.803 1.472 1.00 44.42 H new ATOM 0 HA3 GLY A 66 -17.405 10.141 0.200 1.00 44.42 H new ATOM 309 N GLU A 67 -15.066 9.929 -1.421 1.00 14.50 N ATOM 310 CA GLU A 67 -13.967 9.189 -2.029 1.00 53.25 C ATOM 311 C GLU A 67 -12.631 9.872 -1.751 1.00 54.00 C ATOM 312 O GLU A 67 -11.600 9.212 -1.617 1.00 1.24 O ATOM 313 CB GLU A 67 -14.183 9.062 -3.539 1.00 23.10 C ATOM 314 CG GLU A 67 -14.951 7.814 -3.941 1.00 42.22 C ATOM 315 CD GLU A 67 -14.226 6.536 -3.566 1.00 3.41 C ATOM 316 OE1 GLU A 67 -13.012 6.439 -3.844 1.00 33.42 O ATOM 317 OE2 GLU A 67 -14.873 5.634 -2.994 1.00 5.24 O ATOM 0 H GLU A 67 -15.618 10.480 -2.078 1.00 14.50 H new ATOM 0 HA GLU A 67 -13.945 8.193 -1.587 1.00 53.25 H new ATOM 0 HB2 GLU A 67 -14.721 9.940 -3.896 1.00 23.10 H new ATOM 0 HB3 GLU A 67 -13.214 9.058 -4.037 1.00 23.10 H new ATOM 0 HG2 GLU A 67 -15.931 7.825 -3.463 1.00 42.22 H new ATOM 0 HG3 GLU A 67 -15.121 7.828 -5.017 1.00 42.22 H new ATOM 324 N LEU A 68 -12.658 11.197 -1.666 1.00 43.53 N ATOM 325 CA LEU A 68 -11.449 11.972 -1.404 1.00 72.54 C ATOM 326 C LEU A 68 -11.027 11.845 0.056 1.00 72.11 C ATOM 327 O LEU A 68 -9.888 12.147 0.412 1.00 51.33 O ATOM 328 CB LEU A 68 -11.676 13.443 -1.756 1.00 32.12 C ATOM 329 CG LEU A 68 -10.565 14.120 -2.559 1.00 11.31 C ATOM 330 CD1 LEU A 68 -9.305 14.256 -1.718 1.00 14.32 C ATOM 331 CD2 LEU A 68 -10.276 13.340 -3.833 1.00 33.11 C ATOM 0 H LEU A 68 -13.503 11.758 -1.775 1.00 43.53 H new ATOM 0 HA LEU A 68 -10.650 11.575 -2.030 1.00 72.54 H new ATOM 0 HB2 LEU A 68 -12.605 13.521 -2.321 1.00 32.12 H new ATOM 0 HB3 LEU A 68 -11.818 14.000 -0.830 1.00 32.12 H new ATOM 0 HG LEU A 68 -10.901 15.119 -2.837 1.00 11.31 H new ATOM 0 HD11 LEU A 68 -8.525 14.740 -2.306 1.00 14.32 H new ATOM 0 HD12 LEU A 68 -9.520 14.858 -0.835 1.00 14.32 H new ATOM 0 HD13 LEU A 68 -8.965 13.267 -1.409 1.00 14.32 H new ATOM 0 HD21 LEU A 68 -9.483 13.837 -4.392 1.00 33.11 H new ATOM 0 HD22 LEU A 68 -9.961 12.328 -3.577 1.00 33.11 H new ATOM 0 HD23 LEU A 68 -11.177 13.295 -4.445 1.00 33.11 H new ATOM 343 N ASP A 69 -11.952 11.394 0.896 1.00 1.35 N ATOM 344 CA ASP A 69 -11.675 11.224 2.318 1.00 11.11 C ATOM 345 C ASP A 69 -10.594 10.170 2.539 1.00 52.51 C ATOM 346 O ASP A 69 -10.018 10.074 3.623 1.00 43.25 O ATOM 347 CB ASP A 69 -12.950 10.828 3.064 1.00 14.50 C ATOM 348 CG ASP A 69 -13.802 12.028 3.431 1.00 74.34 C ATOM 349 OD1 ASP A 69 -13.358 13.168 3.185 1.00 5.20 O ATOM 350 OD2 ASP A 69 -14.914 11.826 3.964 1.00 63.32 O ATOM 0 H ASP A 69 -12.900 11.140 0.617 1.00 1.35 H new ATOM 0 HA ASP A 69 -11.315 12.176 2.709 1.00 11.11 H new ATOM 0 HB2 ASP A 69 -13.534 10.147 2.444 1.00 14.50 H new ATOM 0 HB3 ASP A 69 -12.683 10.284 3.970 1.00 14.50 H new ATOM 355 N LYS A 70 -10.325 9.381 1.505 1.00 62.13 N ATOM 356 CA LYS A 70 -9.313 8.334 1.584 1.00 34.31 C ATOM 357 C LYS A 70 -7.928 8.890 1.272 1.00 51.44 C ATOM 358 O LYS A 70 -6.915 8.342 1.707 1.00 3.22 O ATOM 359 CB LYS A 70 -9.649 7.198 0.615 1.00 63.21 C ATOM 360 CG LYS A 70 -9.795 5.845 1.290 1.00 15.35 C ATOM 361 CD LYS A 70 -10.988 5.818 2.231 1.00 14.42 C ATOM 362 CE LYS A 70 -10.839 4.736 3.290 1.00 52.24 C ATOM 363 NZ LYS A 70 -12.158 4.294 3.820 1.00 14.05 N ATOM 0 H LYS A 70 -10.794 9.447 0.602 1.00 62.13 H new ATOM 0 HA LYS A 70 -9.307 7.945 2.602 1.00 34.31 H new ATOM 0 HB2 LYS A 70 -10.577 7.437 0.096 1.00 63.21 H new ATOM 0 HB3 LYS A 70 -8.867 7.134 -0.142 1.00 63.21 H new ATOM 0 HG2 LYS A 70 -9.910 5.070 0.532 1.00 15.35 H new ATOM 0 HG3 LYS A 70 -8.886 5.615 1.846 1.00 15.35 H new ATOM 0 HD2 LYS A 70 -11.094 6.789 2.714 1.00 14.42 H new ATOM 0 HD3 LYS A 70 -11.900 5.646 1.659 1.00 14.42 H new ATOM 0 HE2 LYS A 70 -10.314 3.881 2.864 1.00 52.24 H new ATOM 0 HE3 LYS A 70 -10.226 5.111 4.109 1.00 52.24 H new ATOM 0 HZ1 LYS A 70 -12.014 3.556 4.539 1.00 14.05 H new ATOM 0 HZ2 LYS A 70 -12.649 5.104 4.249 1.00 14.05 H new ATOM 0 HZ3 LYS A 70 -12.734 3.912 3.043 1.00 14.05 H new ATOM 377 N LEU A 71 -7.891 9.982 0.516 1.00 11.41 N ATOM 378 CA LEU A 71 -6.629 10.615 0.147 1.00 74.24 C ATOM 379 C LEU A 71 -6.337 11.813 1.044 1.00 34.02 C ATOM 380 O LEU A 71 -5.180 12.124 1.325 1.00 21.04 O ATOM 381 CB LEU A 71 -6.667 11.057 -1.317 1.00 54.03 C ATOM 382 CG LEU A 71 -5.350 11.574 -1.897 1.00 12.24 C ATOM 383 CD1 LEU A 71 -5.349 11.452 -3.412 1.00 71.54 C ATOM 384 CD2 LEU A 71 -5.113 13.017 -1.476 1.00 42.33 C ATOM 0 H LEU A 71 -8.720 10.447 0.147 1.00 11.41 H new ATOM 0 HA LEU A 71 -5.832 9.883 0.279 1.00 74.24 H new ATOM 0 HB2 LEU A 71 -7.001 10.214 -1.922 1.00 54.03 H new ATOM 0 HB3 LEU A 71 -7.418 11.840 -1.420 1.00 54.03 H new ATOM 0 HG LEU A 71 -4.537 10.963 -1.504 1.00 12.24 H new ATOM 0 HD11 LEU A 71 -4.404 11.825 -3.806 1.00 71.54 H new ATOM 0 HD12 LEU A 71 -5.472 10.406 -3.693 1.00 71.54 H new ATOM 0 HD13 LEU A 71 -6.171 12.038 -3.825 1.00 71.54 H new ATOM 0 HD21 LEU A 71 -4.171 13.369 -1.897 1.00 42.33 H new ATOM 0 HD22 LEU A 71 -5.929 13.641 -1.840 1.00 42.33 H new ATOM 0 HD23 LEU A 71 -5.068 13.076 -0.389 1.00 42.33 H new ATOM 396 N VAL A 72 -7.395 12.481 1.493 1.00 12.31 N ATOM 397 CA VAL A 72 -7.253 13.643 2.362 1.00 1.50 C ATOM 398 C VAL A 72 -7.272 13.237 3.831 1.00 21.22 C ATOM 399 O VAL A 72 -7.653 14.022 4.700 1.00 73.14 O ATOM 400 CB VAL A 72 -8.371 14.672 2.111 1.00 52.31 C ATOM 401 CG1 VAL A 72 -9.690 14.178 2.684 1.00 34.15 C ATOM 402 CG2 VAL A 72 -7.995 16.022 2.703 1.00 15.21 C ATOM 0 H VAL A 72 -8.360 12.237 1.269 1.00 12.31 H new ATOM 0 HA VAL A 72 -6.291 14.098 2.126 1.00 1.50 H new ATOM 0 HB VAL A 72 -8.493 14.794 1.035 1.00 52.31 H new ATOM 0 HG11 VAL A 72 -10.468 14.918 2.497 1.00 34.15 H new ATOM 0 HG12 VAL A 72 -9.963 13.236 2.208 1.00 34.15 H new ATOM 0 HG13 VAL A 72 -9.585 14.025 3.758 1.00 34.15 H new ATOM 0 HG21 VAL A 72 -8.796 16.737 2.516 1.00 15.21 H new ATOM 0 HG22 VAL A 72 -7.844 15.919 3.778 1.00 15.21 H new ATOM 0 HG23 VAL A 72 -7.075 16.379 2.240 1.00 15.21 H new ATOM 412 N LYS A 73 -6.857 12.004 4.104 1.00 52.24 N ATOM 413 CA LYS A 73 -6.824 11.492 5.468 1.00 31.41 C ATOM 414 C LYS A 73 -5.631 10.563 5.672 1.00 51.32 C ATOM 415 O LYS A 73 -4.887 10.698 6.643 1.00 23.32 O ATOM 416 CB LYS A 73 -8.123 10.748 5.787 1.00 20.30 C ATOM 417 CG LYS A 73 -8.162 10.167 7.190 1.00 75.21 C ATOM 418 CD LYS A 73 -7.629 8.744 7.220 1.00 41.44 C ATOM 419 CE LYS A 73 -8.242 7.943 8.358 1.00 60.24 C ATOM 420 NZ LYS A 73 -9.623 7.488 8.035 1.00 65.55 N ATOM 0 H LYS A 73 -6.539 11.341 3.397 1.00 52.24 H new ATOM 0 HA LYS A 73 -6.722 12.340 6.145 1.00 31.41 H new ATOM 0 HB2 LYS A 73 -8.963 11.431 5.662 1.00 20.30 H new ATOM 0 HB3 LYS A 73 -8.257 9.942 5.065 1.00 20.30 H new ATOM 0 HG2 LYS A 73 -7.571 10.792 7.860 1.00 75.21 H new ATOM 0 HG3 LYS A 73 -9.186 10.181 7.562 1.00 75.21 H new ATOM 0 HD2 LYS A 73 -7.845 8.253 6.271 1.00 41.44 H new ATOM 0 HD3 LYS A 73 -6.545 8.763 7.330 1.00 41.44 H new ATOM 0 HE2 LYS A 73 -7.615 7.077 8.572 1.00 60.24 H new ATOM 0 HE3 LYS A 73 -8.262 8.553 9.261 1.00 60.24 H new ATOM 0 HZ1 LYS A 73 -10.137 7.287 8.916 1.00 65.55 H new ATOM 0 HZ2 LYS A 73 -10.120 8.234 7.507 1.00 65.55 H new ATOM 0 HZ3 LYS A 73 -9.578 6.625 7.456 1.00 65.55 H new ATOM 434 N ASP A 74 -5.455 9.623 4.750 1.00 44.31 N ATOM 435 CA ASP A 74 -4.350 8.674 4.827 1.00 11.32 C ATOM 436 C ASP A 74 -3.080 9.269 4.227 1.00 61.32 C ATOM 437 O ASP A 74 -2.046 8.605 4.158 1.00 3.25 O ATOM 438 CB ASP A 74 -4.713 7.377 4.103 1.00 63.11 C ATOM 439 CG ASP A 74 -3.937 6.185 4.628 1.00 74.41 C ATOM 440 OD1 ASP A 74 -3.626 6.165 5.837 1.00 20.34 O ATOM 441 OD2 ASP A 74 -3.643 5.271 3.830 1.00 63.14 O ATOM 0 H ASP A 74 -6.063 9.498 3.941 1.00 44.31 H new ATOM 0 HA ASP A 74 -4.164 8.454 5.878 1.00 11.32 H new ATOM 0 HB2 ASP A 74 -5.781 7.189 4.214 1.00 63.11 H new ATOM 0 HB3 ASP A 74 -4.518 7.493 3.037 1.00 63.11 H new ATOM 446 N GLN A 75 -3.167 10.522 3.792 1.00 20.25 N ATOM 447 CA GLN A 75 -2.025 11.204 3.196 1.00 3.21 C ATOM 448 C GLN A 75 -1.721 12.504 3.934 1.00 70.10 C ATOM 449 O GLN A 75 -0.573 12.778 4.282 1.00 61.30 O ATOM 450 CB GLN A 75 -2.291 11.493 1.718 1.00 53.31 C ATOM 451 CG GLN A 75 -2.962 10.343 0.984 1.00 2.02 C ATOM 452 CD GLN A 75 -2.018 9.184 0.729 1.00 0.41 C ATOM 453 OE1 GLN A 75 -1.899 8.273 1.549 1.00 53.32 O ATOM 454 NE2 GLN A 75 -1.340 9.213 -0.412 1.00 51.04 N ATOM 0 H GLN A 75 -4.016 11.085 3.841 1.00 20.25 H new ATOM 0 HA GLN A 75 -1.158 10.549 3.280 1.00 3.21 H new ATOM 0 HB2 GLN A 75 -2.919 12.380 1.637 1.00 53.31 H new ATOM 0 HB3 GLN A 75 -1.346 11.725 1.226 1.00 53.31 H new ATOM 0 HG2 GLN A 75 -3.813 9.992 1.567 1.00 2.02 H new ATOM 0 HG3 GLN A 75 -3.354 10.703 0.033 1.00 2.02 H new ATOM 0 HE21 GLN A 75 -1.470 9.988 -1.063 1.00 51.04 H new ATOM 0 HE22 GLN A 75 -0.689 8.461 -0.638 1.00 51.04 H new ATOM 463 N ALA A 76 -2.758 13.301 4.169 1.00 41.31 N ATOM 464 CA ALA A 76 -2.602 14.571 4.867 1.00 51.52 C ATOM 465 C ALA A 76 -1.992 14.367 6.249 1.00 34.04 C ATOM 466 O ALA A 76 -1.450 15.298 6.843 1.00 54.41 O ATOM 467 CB ALA A 76 -3.944 15.280 4.979 1.00 1.01 C ATOM 0 H ALA A 76 -3.715 13.090 3.886 1.00 41.31 H new ATOM 0 HA ALA A 76 -1.921 15.195 4.287 1.00 51.52 H new ATOM 0 HB1 ALA A 76 -3.813 16.227 5.502 1.00 1.01 H new ATOM 0 HB2 ALA A 76 -4.340 15.469 3.981 1.00 1.01 H new ATOM 0 HB3 ALA A 76 -4.642 14.653 5.534 1.00 1.01 H new ATOM 473 N ASN A 77 -2.086 13.142 6.757 1.00 45.11 N ATOM 474 CA ASN A 77 -1.544 12.816 8.071 1.00 3.11 C ATOM 475 C ASN A 77 -0.369 11.850 7.951 1.00 72.22 C ATOM 476 O ASN A 77 0.144 11.353 8.953 1.00 41.11 O ATOM 477 CB ASN A 77 -2.632 12.206 8.957 1.00 3.23 C ATOM 478 CG ASN A 77 -3.862 13.087 9.051 1.00 54.30 C ATOM 479 OD1 ASN A 77 -4.970 12.662 8.724 1.00 53.05 O ATOM 480 ND2 ASN A 77 -3.673 14.323 9.500 1.00 64.34 N ATOM 0 H ASN A 77 -2.532 12.359 6.279 1.00 45.11 H new ATOM 0 HA ASN A 77 -1.187 13.739 8.528 1.00 3.11 H new ATOM 0 HB2 ASN A 77 -2.916 11.231 8.560 1.00 3.23 H new ATOM 0 HB3 ASN A 77 -2.231 12.038 9.957 1.00 3.23 H new ATOM 0 HD21 ASN A 77 -4.464 14.961 9.585 1.00 64.34 H new ATOM 0 HD22 ASN A 77 -2.737 14.634 9.760 1.00 64.34 H new ATOM 487 N ALA A 78 0.051 11.589 6.717 1.00 22.34 N ATOM 488 CA ALA A 78 1.167 10.685 6.466 1.00 75.41 C ATOM 489 C ALA A 78 2.322 11.413 5.788 1.00 52.31 C ATOM 490 O ALA A 78 3.476 11.000 5.892 1.00 72.32 O ATOM 491 CB ALA A 78 0.711 9.508 5.616 1.00 74.11 C ATOM 0 H ALA A 78 -0.364 11.990 5.876 1.00 22.34 H new ATOM 0 HA ALA A 78 1.522 10.311 7.426 1.00 75.41 H new ATOM 0 HB1 ALA A 78 1.554 8.841 5.436 1.00 74.11 H new ATOM 0 HB2 ALA A 78 -0.076 8.965 6.139 1.00 74.11 H new ATOM 0 HB3 ALA A 78 0.328 9.874 4.663 1.00 74.11 H new ATOM 497 N GLY A 79 2.003 12.501 5.092 1.00 20.32 N ATOM 498 CA GLY A 79 3.026 13.269 4.407 1.00 74.15 C ATOM 499 C GLY A 79 2.606 13.675 3.008 1.00 74.22 C ATOM 500 O GLY A 79 2.894 12.973 2.039 1.00 43.43 O ATOM 0 H GLY A 79 1.055 12.863 4.991 1.00 20.32 H new ATOM 0 HA2 GLY A 79 3.255 14.162 4.988 1.00 74.15 H new ATOM 0 HA3 GLY A 79 3.942 12.681 4.352 1.00 74.15 H new ATOM 504 N GLN A 80 1.921 14.809 2.903 1.00 11.20 N ATOM 505 CA GLN A 80 1.459 15.305 1.612 1.00 15.32 C ATOM 506 C GLN A 80 2.448 16.308 1.028 1.00 64.30 C ATOM 507 O GLN A 80 2.054 17.277 0.380 1.00 1.03 O ATOM 508 CB GLN A 80 0.081 15.955 1.756 1.00 41.05 C ATOM 509 CG GLN A 80 -1.072 14.978 1.593 1.00 12.12 C ATOM 510 CD GLN A 80 -2.342 15.650 1.108 1.00 21.41 C ATOM 511 OE1 GLN A 80 -2.528 16.854 1.285 1.00 24.12 O ATOM 512 NE2 GLN A 80 -3.225 14.872 0.492 1.00 45.34 N ATOM 0 H GLN A 80 1.674 15.401 3.696 1.00 11.20 H new ATOM 0 HA GLN A 80 1.385 14.457 0.931 1.00 15.32 H new ATOM 0 HB2 GLN A 80 0.011 16.426 2.736 1.00 41.05 H new ATOM 0 HB3 GLN A 80 -0.017 16.747 1.014 1.00 41.05 H new ATOM 0 HG2 GLN A 80 -0.786 14.198 0.887 1.00 12.12 H new ATOM 0 HG3 GLN A 80 -1.266 14.488 2.547 1.00 12.12 H new ATOM 0 HE21 GLN A 80 -3.030 13.879 0.367 1.00 45.34 H new ATOM 0 HE22 GLN A 80 -4.098 15.268 0.144 1.00 45.34 H new ATOM 521 N GLN A 81 3.734 16.067 1.262 1.00 44.11 N ATOM 522 CA GLN A 81 4.780 16.950 0.759 1.00 1.23 C ATOM 523 C GLN A 81 4.781 16.980 -0.766 1.00 22.34 C ATOM 524 O GLN A 81 5.369 17.871 -1.377 1.00 60.25 O ATOM 525 CB GLN A 81 6.148 16.499 1.273 1.00 4.45 C ATOM 526 CG GLN A 81 7.171 17.622 1.346 1.00 31.15 C ATOM 527 CD GLN A 81 8.356 17.275 2.225 1.00 4.34 C ATOM 528 OE1 GLN A 81 9.257 16.544 1.813 1.00 44.54 O ATOM 529 NE2 GLN A 81 8.362 17.799 3.446 1.00 44.35 N ATOM 0 H GLN A 81 4.076 15.268 1.796 1.00 44.11 H new ATOM 0 HA GLN A 81 4.577 17.957 1.124 1.00 1.23 H new ATOM 0 HB2 GLN A 81 6.028 16.063 2.265 1.00 4.45 H new ATOM 0 HB3 GLN A 81 6.530 15.712 0.622 1.00 4.45 H new ATOM 0 HG2 GLN A 81 7.524 17.853 0.341 1.00 31.15 H new ATOM 0 HG3 GLN A 81 6.690 18.522 1.729 1.00 31.15 H new ATOM 0 HE21 GLN A 81 7.595 18.400 3.747 1.00 44.35 H new ATOM 0 HE22 GLN A 81 9.134 17.600 4.082 1.00 44.35 H new ATOM 538 N GLU A 82 4.119 15.999 -1.372 1.00 44.21 N ATOM 539 CA GLU A 82 4.046 15.913 -2.826 1.00 11.31 C ATOM 540 C GLU A 82 3.597 17.242 -3.427 1.00 72.14 C ATOM 541 O GLU A 82 4.410 18.008 -3.945 1.00 14.20 O ATOM 542 CB GLU A 82 3.084 14.800 -3.245 1.00 73.13 C ATOM 543 CG GLU A 82 3.756 13.449 -3.422 1.00 43.05 C ATOM 544 CD GLU A 82 4.724 13.127 -2.300 1.00 53.20 C ATOM 545 OE1 GLU A 82 4.302 13.166 -1.125 1.00 2.40 O ATOM 546 OE2 GLU A 82 5.901 12.837 -2.596 1.00 64.31 O ATOM 0 H GLU A 82 3.626 15.254 -0.879 1.00 44.21 H new ATOM 0 HA GLU A 82 5.043 15.682 -3.202 1.00 11.31 H new ATOM 0 HB2 GLU A 82 2.298 14.710 -2.496 1.00 73.13 H new ATOM 0 HB3 GLU A 82 2.601 15.082 -4.181 1.00 73.13 H new ATOM 0 HG2 GLU A 82 2.993 12.672 -3.473 1.00 43.05 H new ATOM 0 HG3 GLU A 82 4.290 13.435 -4.372 1.00 43.05 H new ATOM 553 N PHE A 83 2.297 17.508 -3.356 1.00 33.33 N ATOM 554 CA PHE A 83 1.738 18.742 -3.894 1.00 50.41 C ATOM 555 C PHE A 83 1.720 19.839 -2.833 1.00 45.34 C ATOM 556 O PHE A 83 2.088 19.611 -1.681 1.00 20.22 O ATOM 557 CB PHE A 83 0.321 18.500 -4.417 1.00 54.30 C ATOM 558 CG PHE A 83 -0.706 18.372 -3.328 1.00 53.04 C ATOM 559 CD1 PHE A 83 -1.338 19.494 -2.818 1.00 0.51 C ATOM 560 CD2 PHE A 83 -1.039 17.129 -2.815 1.00 73.21 C ATOM 561 CE1 PHE A 83 -2.284 19.380 -1.816 1.00 63.13 C ATOM 562 CE2 PHE A 83 -1.984 17.008 -1.814 1.00 14.00 C ATOM 563 CZ PHE A 83 -2.606 18.135 -1.313 1.00 74.01 C ATOM 0 H PHE A 83 1.611 16.885 -2.931 1.00 33.33 H new ATOM 0 HA PHE A 83 2.371 19.069 -4.719 1.00 50.41 H new ATOM 0 HB2 PHE A 83 0.040 19.322 -5.076 1.00 54.30 H new ATOM 0 HB3 PHE A 83 0.315 17.592 -5.020 1.00 54.30 H new ATOM 0 HD1 PHE A 83 -1.089 20.470 -3.208 1.00 0.51 H new ATOM 0 HD2 PHE A 83 -0.555 16.245 -3.202 1.00 73.21 H new ATOM 0 HE1 PHE A 83 -2.770 20.263 -1.428 1.00 63.13 H new ATOM 0 HE2 PHE A 83 -2.236 16.033 -1.424 1.00 14.00 H new ATOM 0 HZ PHE A 83 -3.343 18.043 -0.529 1.00 74.01 H new ATOM 573 N LYS A 84 1.291 21.032 -3.232 1.00 0.04 N ATOM 574 CA LYS A 84 1.224 22.166 -2.317 1.00 70.14 C ATOM 575 C LYS A 84 -0.048 22.975 -2.547 1.00 13.40 C ATOM 576 O LYS A 84 -0.041 23.970 -3.274 1.00 60.31 O ATOM 577 CB LYS A 84 2.451 23.063 -2.494 1.00 50.22 C ATOM 578 CG LYS A 84 2.762 23.389 -3.945 1.00 1.33 C ATOM 579 CD LYS A 84 3.791 22.432 -4.523 1.00 53.22 C ATOM 580 CE LYS A 84 4.595 23.085 -5.637 1.00 3.13 C ATOM 581 NZ LYS A 84 3.773 23.308 -6.858 1.00 71.30 N ATOM 0 H LYS A 84 0.985 21.239 -4.183 1.00 0.04 H new ATOM 0 HA LYS A 84 1.208 21.779 -1.298 1.00 70.14 H new ATOM 0 HB2 LYS A 84 2.293 23.993 -1.947 1.00 50.22 H new ATOM 0 HB3 LYS A 84 3.316 22.573 -2.047 1.00 50.22 H new ATOM 0 HG2 LYS A 84 1.846 23.340 -4.534 1.00 1.33 H new ATOM 0 HG3 LYS A 84 3.133 24.411 -4.018 1.00 1.33 H new ATOM 0 HD2 LYS A 84 4.465 22.100 -3.733 1.00 53.22 H new ATOM 0 HD3 LYS A 84 3.289 21.544 -4.908 1.00 53.22 H new ATOM 0 HE2 LYS A 84 4.992 24.038 -5.288 1.00 3.13 H new ATOM 0 HE3 LYS A 84 5.450 22.456 -5.885 1.00 3.13 H new ATOM 0 HZ1 LYS A 84 4.358 23.755 -7.593 1.00 71.30 H new ATOM 0 HZ2 LYS A 84 3.415 22.396 -7.207 1.00 71.30 H new ATOM 0 HZ3 LYS A 84 2.971 23.929 -6.628 1.00 71.30 H new ATOM 595 N LEU A 85 -1.139 22.545 -1.922 1.00 63.01 N ATOM 596 CA LEU A 85 -2.419 23.231 -2.057 1.00 40.11 C ATOM 597 C LEU A 85 -3.138 23.312 -0.714 1.00 44.12 C ATOM 598 O LEU A 85 -3.996 22.491 -0.391 1.00 53.02 O ATOM 599 CB LEU A 85 -3.301 22.510 -3.078 1.00 12.11 C ATOM 600 CG LEU A 85 -3.341 23.119 -4.480 1.00 1.32 C ATOM 601 CD1 LEU A 85 -4.257 22.313 -5.386 1.00 75.25 C ATOM 602 CD2 LEU A 85 -3.792 24.571 -4.418 1.00 1.43 C ATOM 0 H LEU A 85 -1.162 21.724 -1.317 1.00 63.01 H new ATOM 0 HA LEU A 85 -2.225 24.245 -2.406 1.00 40.11 H new ATOM 0 HB2 LEU A 85 -2.957 21.479 -3.161 1.00 12.11 H new ATOM 0 HB3 LEU A 85 -4.319 22.476 -2.689 1.00 12.11 H new ATOM 0 HG LEU A 85 -2.334 23.090 -4.897 1.00 1.32 H new ATOM 0 HD11 LEU A 85 -4.273 22.761 -6.379 1.00 75.25 H new ATOM 0 HD12 LEU A 85 -3.890 21.289 -5.456 1.00 75.25 H new ATOM 0 HD13 LEU A 85 -5.266 22.310 -4.973 1.00 75.25 H new ATOM 0 HD21 LEU A 85 -3.815 24.988 -5.425 1.00 1.43 H new ATOM 0 HD22 LEU A 85 -4.789 24.624 -3.981 1.00 1.43 H new ATOM 0 HD23 LEU A 85 -3.096 25.142 -3.804 1.00 1.43 H new ATOM 614 N PRO A 86 -2.781 24.327 0.088 1.00 74.34 N ATOM 615 CA PRO A 86 -3.382 24.541 1.407 1.00 12.15 C ATOM 616 C PRO A 86 -4.835 24.994 1.316 1.00 13.33 C ATOM 617 O PRO A 86 -5.451 24.929 0.252 1.00 14.33 O ATOM 618 CB PRO A 86 -2.515 25.646 2.017 1.00 62.52 C ATOM 619 CG PRO A 86 -1.951 26.374 0.846 1.00 53.02 C ATOM 620 CD PRO A 86 -1.765 25.343 -0.233 1.00 12.11 C ATOM 0 HA PRO A 86 -3.407 23.625 1.997 1.00 12.15 H new ATOM 0 HB2 PRO A 86 -3.106 26.309 2.649 1.00 62.52 H new ATOM 0 HB3 PRO A 86 -1.725 25.230 2.642 1.00 62.52 H new ATOM 0 HG2 PRO A 86 -2.625 27.166 0.517 1.00 53.02 H new ATOM 0 HG3 PRO A 86 -1.003 26.848 1.101 1.00 53.02 H new ATOM 0 HD2 PRO A 86 -1.920 25.767 -1.225 1.00 12.11 H new ATOM 0 HD3 PRO A 86 -0.759 24.924 -0.219 1.00 12.11 H new ATOM 628 N LYS A 87 -5.378 25.454 2.438 1.00 13.14 N ATOM 629 CA LYS A 87 -6.759 25.920 2.486 1.00 40.32 C ATOM 630 C LYS A 87 -6.889 27.301 1.850 1.00 73.53 C ATOM 631 O LYS A 87 -7.241 28.272 2.519 1.00 51.11 O ATOM 632 CB LYS A 87 -7.254 25.965 3.933 1.00 13.31 C ATOM 633 CG LYS A 87 -8.755 25.773 4.069 1.00 41.04 C ATOM 634 CD LYS A 87 -9.165 25.592 5.521 1.00 50.25 C ATOM 635 CE LYS A 87 -10.512 24.895 5.637 1.00 63.34 C ATOM 636 NZ LYS A 87 -10.442 23.476 5.189 1.00 22.03 N ATOM 0 H LYS A 87 -4.882 25.514 3.327 1.00 13.14 H new ATOM 0 HA LYS A 87 -7.373 25.219 1.920 1.00 40.32 H new ATOM 0 HB2 LYS A 87 -6.744 25.191 4.507 1.00 13.31 H new ATOM 0 HB3 LYS A 87 -6.977 26.923 4.373 1.00 13.31 H new ATOM 0 HG2 LYS A 87 -9.273 26.635 3.649 1.00 41.04 H new ATOM 0 HG3 LYS A 87 -9.065 24.902 3.491 1.00 41.04 H new ATOM 0 HD2 LYS A 87 -8.407 25.010 6.044 1.00 50.25 H new ATOM 0 HD3 LYS A 87 -9.214 26.565 6.010 1.00 50.25 H new ATOM 0 HE2 LYS A 87 -10.853 24.933 6.672 1.00 63.34 H new ATOM 0 HE3 LYS A 87 -11.250 25.429 5.039 1.00 63.34 H new ATOM 0 HZ1 LYS A 87 -11.227 22.940 5.611 1.00 22.03 H new ATOM 0 HZ2 LYS A 87 -10.513 23.435 4.152 1.00 22.03 H new ATOM 0 HZ3 LYS A 87 -9.537 23.061 5.491 1.00 22.03 H new ATOM 650 N ASP A 88 -6.605 27.379 0.554 1.00 32.04 N ATOM 651 CA ASP A 88 -6.693 28.640 -0.173 1.00 13.13 C ATOM 652 C ASP A 88 -7.386 28.445 -1.518 1.00 31.43 C ATOM 653 O ASP A 88 -8.326 29.165 -1.854 1.00 42.33 O ATOM 654 CB ASP A 88 -5.298 29.230 -0.385 1.00 31.34 C ATOM 655 CG ASP A 88 -4.633 29.627 0.919 1.00 55.32 C ATOM 656 OD1 ASP A 88 -4.378 28.733 1.752 1.00 32.41 O ATOM 657 OD2 ASP A 88 -4.368 30.833 1.105 1.00 22.01 O ATOM 0 H ASP A 88 -6.312 26.584 -0.014 1.00 32.04 H new ATOM 0 HA ASP A 88 -7.285 29.334 0.423 1.00 13.13 H new ATOM 0 HB2 ASP A 88 -4.673 28.501 -0.901 1.00 31.34 H new ATOM 0 HB3 ASP A 88 -5.371 30.103 -1.033 1.00 31.34 H new ATOM 662 N PHE A 89 -6.915 27.466 -2.283 1.00 71.14 N ATOM 663 CA PHE A 89 -7.488 27.177 -3.593 1.00 22.21 C ATOM 664 C PHE A 89 -8.632 26.174 -3.477 1.00 15.53 C ATOM 665 O PHE A 89 -9.169 25.707 -4.482 1.00 14.41 O ATOM 666 CB PHE A 89 -6.412 26.632 -4.535 1.00 2.42 C ATOM 667 CG PHE A 89 -6.842 26.587 -5.973 1.00 63.42 C ATOM 668 CD1 PHE A 89 -7.012 27.756 -6.697 1.00 12.04 C ATOM 669 CD2 PHE A 89 -7.075 25.374 -6.602 1.00 44.22 C ATOM 670 CE1 PHE A 89 -7.408 27.717 -8.020 1.00 74.50 C ATOM 671 CE2 PHE A 89 -7.471 25.329 -7.926 1.00 24.53 C ATOM 672 CZ PHE A 89 -7.637 26.501 -8.636 1.00 3.43 C ATOM 0 H PHE A 89 -6.139 26.860 -2.019 1.00 71.14 H new ATOM 0 HA PHE A 89 -7.883 28.107 -4.002 1.00 22.21 H new ATOM 0 HB2 PHE A 89 -5.519 27.251 -4.450 1.00 2.42 H new ATOM 0 HB3 PHE A 89 -6.135 25.627 -4.215 1.00 2.42 H new ATOM 0 HD1 PHE A 89 -6.833 28.709 -6.221 1.00 12.04 H new ATOM 0 HD2 PHE A 89 -6.946 24.454 -6.052 1.00 44.22 H new ATOM 0 HE1 PHE A 89 -7.539 28.636 -8.572 1.00 74.50 H new ATOM 0 HE2 PHE A 89 -7.650 24.377 -8.404 1.00 24.53 H new ATOM 0 HZ PHE A 89 -7.945 26.468 -9.671 1.00 3.43 H new ATOM 682 N THR A 90 -9.001 25.847 -2.242 1.00 74.02 N ATOM 683 CA THR A 90 -10.080 24.899 -1.993 1.00 12.31 C ATOM 684 C THR A 90 -11.428 25.608 -1.916 1.00 62.13 C ATOM 685 O THR A 90 -12.433 25.011 -1.533 1.00 51.14 O ATOM 686 CB THR A 90 -9.850 24.117 -0.686 1.00 63.45 C ATOM 687 OG1 THR A 90 -9.981 24.992 0.439 1.00 43.20 O ATOM 688 CG2 THR A 90 -8.471 23.473 -0.677 1.00 52.31 C ATOM 0 H THR A 90 -8.568 26.225 -1.399 1.00 74.02 H new ATOM 0 HA THR A 90 -10.086 24.201 -2.830 1.00 12.31 H new ATOM 0 HB THR A 90 -10.602 23.330 -0.622 1.00 63.45 H new ATOM 0 HG1 THR A 90 -9.835 24.486 1.266 1.00 43.20 H new ATOM 0 HG21 THR A 90 -8.331 22.926 0.255 1.00 52.31 H new ATOM 0 HG22 THR A 90 -8.385 22.785 -1.518 1.00 52.31 H new ATOM 0 HG23 THR A 90 -7.708 24.246 -0.762 1.00 52.31 H new ATOM 696 N GLY A 91 -11.441 26.886 -2.284 1.00 73.32 N ATOM 697 CA GLY A 91 -12.672 27.654 -2.250 1.00 43.42 C ATOM 698 C GLY A 91 -12.901 28.438 -3.527 1.00 52.03 C ATOM 699 O GLY A 91 -13.605 29.448 -3.526 1.00 35.22 O ATOM 0 H GLY A 91 -10.622 27.402 -2.605 1.00 73.32 H new ATOM 0 HA2 GLY A 91 -13.513 26.980 -2.085 1.00 43.42 H new ATOM 0 HA3 GLY A 91 -12.644 28.342 -1.405 1.00 43.42 H new ATOM 703 N ARG A 92 -12.304 27.974 -4.620 1.00 72.40 N ATOM 704 CA ARG A 92 -12.445 28.640 -5.909 1.00 62.22 C ATOM 705 C ARG A 92 -13.279 27.797 -6.869 1.00 34.53 C ATOM 706 O ARG A 92 -14.225 28.290 -7.483 1.00 11.21 O ATOM 707 CB ARG A 92 -11.069 28.913 -6.519 1.00 4.43 C ATOM 708 CG ARG A 92 -11.125 29.379 -7.964 1.00 45.05 C ATOM 709 CD ARG A 92 -11.896 30.683 -8.100 1.00 65.34 C ATOM 710 NE ARG A 92 -11.458 31.460 -9.257 1.00 63.50 N ATOM 711 CZ ARG A 92 -11.727 32.750 -9.420 1.00 5.11 C ATOM 712 NH1 ARG A 92 -12.428 33.405 -8.505 1.00 4.30 N ATOM 713 NH2 ARG A 92 -11.293 33.388 -10.500 1.00 13.23 N ATOM 0 H ARG A 92 -11.718 27.139 -4.638 1.00 72.40 H new ATOM 0 HA ARG A 92 -12.958 29.588 -5.745 1.00 62.22 H new ATOM 0 HB2 ARG A 92 -10.560 29.669 -5.922 1.00 4.43 H new ATOM 0 HB3 ARG A 92 -10.469 28.005 -6.462 1.00 4.43 H new ATOM 0 HG2 ARG A 92 -10.112 29.513 -8.344 1.00 45.05 H new ATOM 0 HG3 ARG A 92 -11.596 28.611 -8.577 1.00 45.05 H new ATOM 0 HD2 ARG A 92 -12.961 30.467 -8.190 1.00 65.34 H new ATOM 0 HD3 ARG A 92 -11.767 31.276 -7.195 1.00 65.34 H new ATOM 0 HE ARG A 92 -10.916 30.986 -9.979 1.00 63.50 H new ATOM 0 HH11 ARG A 92 -12.762 32.918 -7.673 1.00 4.30 H new ATOM 0 HH12 ARG A 92 -12.633 34.396 -8.633 1.00 4.30 H new ATOM 0 HH21 ARG A 92 -10.752 32.887 -11.205 1.00 13.23 H new ATOM 0 HH22 ARG A 92 -11.500 34.379 -10.625 1.00 13.23 H new ATOM 727 N SER A 93 -12.922 26.522 -6.993 1.00 12.35 N ATOM 728 CA SER A 93 -13.635 25.611 -7.880 1.00 51.34 C ATOM 729 C SER A 93 -15.108 25.518 -7.494 1.00 52.12 C ATOM 730 O SER A 93 -15.577 26.235 -6.610 1.00 54.43 O ATOM 731 CB SER A 93 -12.997 24.222 -7.840 1.00 24.34 C ATOM 732 OG SER A 93 -11.583 24.311 -7.815 1.00 25.32 O ATOM 0 H SER A 93 -12.143 26.097 -6.490 1.00 12.35 H new ATOM 0 HA SER A 93 -13.567 26.005 -8.894 1.00 51.34 H new ATOM 0 HB2 SER A 93 -13.346 23.683 -6.959 1.00 24.34 H new ATOM 0 HB3 SER A 93 -13.313 23.648 -8.711 1.00 24.34 H new ATOM 0 HG SER A 93 -11.199 23.410 -7.788 1.00 25.32 H new ATOM 738 N LYS A 94 -15.834 24.629 -8.163 1.00 65.55 N ATOM 739 CA LYS A 94 -17.253 24.438 -7.892 1.00 14.33 C ATOM 740 C LYS A 94 -17.807 23.262 -8.690 1.00 14.51 C ATOM 741 O LYS A 94 -17.747 23.250 -9.920 1.00 0.42 O ATOM 742 CB LYS A 94 -18.033 25.711 -8.230 1.00 34.31 C ATOM 743 CG LYS A 94 -17.925 26.121 -9.688 1.00 40.13 C ATOM 744 CD LYS A 94 -17.651 27.609 -9.830 1.00 61.10 C ATOM 745 CE LYS A 94 -18.895 28.435 -9.540 1.00 23.11 C ATOM 746 NZ LYS A 94 -19.899 28.328 -10.634 1.00 34.42 N ATOM 0 H LYS A 94 -15.462 24.028 -8.898 1.00 65.55 H new ATOM 0 HA LYS A 94 -17.368 24.219 -6.830 1.00 14.33 H new ATOM 0 HB2 LYS A 94 -19.083 25.561 -7.980 1.00 34.31 H new ATOM 0 HB3 LYS A 94 -17.670 26.526 -7.604 1.00 34.31 H new ATOM 0 HG2 LYS A 94 -17.126 25.556 -10.168 1.00 40.13 H new ATOM 0 HG3 LYS A 94 -18.850 25.869 -10.207 1.00 40.13 H new ATOM 0 HD2 LYS A 94 -16.853 27.900 -9.147 1.00 61.10 H new ATOM 0 HD3 LYS A 94 -17.300 27.821 -10.840 1.00 61.10 H new ATOM 0 HE2 LYS A 94 -19.342 28.102 -8.603 1.00 23.11 H new ATOM 0 HE3 LYS A 94 -18.614 29.480 -9.406 1.00 23.11 H new ATOM 0 HZ1 LYS A 94 -20.625 29.063 -10.512 1.00 34.42 H new ATOM 0 HZ2 LYS A 94 -19.427 28.456 -11.552 1.00 34.42 H new ATOM 0 HZ3 LYS A 94 -20.347 27.390 -10.603 1.00 34.42 H new ATOM 760 N CYS A 95 -18.348 22.276 -7.983 1.00 73.21 N ATOM 761 CA CYS A 95 -18.914 21.096 -8.625 1.00 73.41 C ATOM 762 C CYS A 95 -20.213 20.676 -7.943 1.00 31.50 C ATOM 763 O CYS A 95 -21.212 20.394 -8.606 1.00 4.31 O ATOM 764 CB CYS A 95 -17.911 19.941 -8.592 1.00 73.20 C ATOM 765 SG CYS A 95 -17.022 19.773 -7.011 1.00 14.12 S ATOM 0 H CYS A 95 -18.406 22.271 -6.965 1.00 73.21 H new ATOM 0 HA CYS A 95 -19.134 21.348 -9.662 1.00 73.41 H new ATOM 0 HB2 CYS A 95 -18.438 19.010 -8.801 1.00 73.20 H new ATOM 0 HB3 CYS A 95 -17.184 20.082 -9.392 1.00 73.20 H new ATOM 770 N ARG A 96 -20.191 20.636 -6.615 1.00 33.33 N ATOM 771 CA ARG A 96 -21.366 20.249 -5.843 1.00 0.34 C ATOM 772 C ARG A 96 -21.109 20.407 -4.347 1.00 32.33 C ATOM 773 O ARG A 96 -20.015 20.120 -3.861 1.00 40.41 O ATOM 774 CB ARG A 96 -21.755 18.803 -6.155 1.00 2.12 C ATOM 775 CG ARG A 96 -23.178 18.454 -5.752 1.00 12.53 C ATOM 776 CD ARG A 96 -24.196 19.198 -6.602 1.00 50.13 C ATOM 777 NE ARG A 96 -24.656 20.425 -5.958 1.00 2.33 N ATOM 778 CZ ARG A 96 -25.215 21.436 -6.615 1.00 22.53 C ATOM 779 NH1 ARG A 96 -25.383 21.365 -7.928 1.00 23.40 N ATOM 780 NH2 ARG A 96 -25.608 22.519 -5.958 1.00 4.43 N ATOM 0 H ARG A 96 -19.373 20.867 -6.051 1.00 33.33 H new ATOM 0 HA ARG A 96 -22.188 20.907 -6.125 1.00 0.34 H new ATOM 0 HB2 ARG A 96 -21.636 18.626 -7.224 1.00 2.12 H new ATOM 0 HB3 ARG A 96 -21.066 18.132 -5.642 1.00 2.12 H new ATOM 0 HG2 ARG A 96 -23.333 17.380 -5.854 1.00 12.53 H new ATOM 0 HG3 ARG A 96 -23.330 18.700 -4.701 1.00 12.53 H new ATOM 0 HD2 ARG A 96 -23.753 19.440 -7.568 1.00 50.13 H new ATOM 0 HD3 ARG A 96 -25.050 18.549 -6.796 1.00 50.13 H new ATOM 0 HE ARG A 96 -24.542 20.511 -4.948 1.00 2.33 H new ATOM 0 HH11 ARG A 96 -25.083 20.533 -8.436 1.00 23.40 H new ATOM 0 HH12 ARG A 96 -25.812 22.142 -8.430 1.00 23.40 H new ATOM 0 HH21 ARG A 96 -25.481 22.577 -4.948 1.00 4.43 H new ATOM 0 HH22 ARG A 96 -26.037 23.294 -6.463 1.00 4.43 H new ATOM 794 N SER A 97 -22.125 20.864 -3.622 1.00 52.20 N ATOM 795 CA SER A 97 -22.008 21.064 -2.182 1.00 74.03 C ATOM 796 C SER A 97 -20.770 21.890 -1.847 1.00 71.12 C ATOM 797 O SER A 97 -19.888 21.439 -1.115 1.00 60.13 O ATOM 798 CB SER A 97 -21.946 19.715 -1.462 1.00 51.54 C ATOM 799 OG SER A 97 -22.399 19.830 -0.124 1.00 43.34 O ATOM 0 H SER A 97 -23.038 21.103 -4.008 1.00 52.20 H new ATOM 0 HA SER A 97 -22.889 21.609 -1.843 1.00 74.03 H new ATOM 0 HB2 SER A 97 -22.557 18.986 -1.995 1.00 51.54 H new ATOM 0 HB3 SER A 97 -20.922 19.341 -1.472 1.00 51.54 H new ATOM 0 HG SER A 97 -22.351 18.955 0.314 1.00 43.34 H new ATOM 805 N LEU A 98 -20.711 23.102 -2.388 1.00 33.13 N ATOM 806 CA LEU A 98 -19.582 23.993 -2.147 1.00 65.11 C ATOM 807 C LEU A 98 -19.825 24.861 -0.917 1.00 22.35 C ATOM 808 O LEU A 98 -18.887 25.236 -0.214 1.00 14.12 O ATOM 809 CB LEU A 98 -19.336 24.879 -3.370 1.00 31.04 C ATOM 810 CG LEU A 98 -19.082 24.148 -4.688 1.00 64.13 C ATOM 811 CD1 LEU A 98 -18.174 22.948 -4.467 1.00 4.11 C ATOM 812 CD2 LEU A 98 -20.396 23.715 -5.320 1.00 74.42 C ATOM 0 H LEU A 98 -21.432 23.490 -2.996 1.00 33.13 H new ATOM 0 HA LEU A 98 -18.699 23.379 -1.967 1.00 65.11 H new ATOM 0 HB2 LEU A 98 -20.199 25.532 -3.500 1.00 31.04 H new ATOM 0 HB3 LEU A 98 -18.480 25.521 -3.163 1.00 31.04 H new ATOM 0 HG LEU A 98 -18.582 24.835 -5.371 1.00 64.13 H new ATOM 0 HD11 LEU A 98 -18.005 22.440 -5.416 1.00 4.11 H new ATOM 0 HD12 LEU A 98 -17.220 23.284 -4.060 1.00 4.11 H new ATOM 0 HD13 LEU A 98 -18.646 22.259 -3.766 1.00 4.11 H new ATOM 0 HD21 LEU A 98 -20.195 23.196 -6.257 1.00 74.42 H new ATOM 0 HD22 LEU A 98 -20.923 23.046 -4.640 1.00 74.42 H new ATOM 0 HD23 LEU A 98 -21.012 24.593 -5.516 1.00 74.42 H new ATOM 824 N GLY A 99 -21.091 25.174 -0.661 1.00 14.24 N ATOM 825 CA GLY A 99 -21.436 25.993 0.487 1.00 44.53 C ATOM 826 C GLY A 99 -22.708 25.531 1.169 1.00 62.03 C ATOM 827 O GLY A 99 -22.664 24.725 2.098 1.00 20.12 O ATOM 0 H GLY A 99 -21.885 24.875 -1.228 1.00 14.24 H new ATOM 0 HA2 GLY A 99 -20.615 25.972 1.204 1.00 44.53 H new ATOM 0 HA3 GLY A 99 -21.554 27.029 0.168 1.00 44.53 H new ATOM 831 N ARG A 100 -23.844 26.043 0.708 1.00 53.12 N ATOM 832 CA ARG A 100 -25.134 25.680 1.282 1.00 72.22 C ATOM 833 C ARG A 100 -25.999 24.951 0.257 1.00 13.24 C ATOM 834 O ARG A 100 -27.228 24.987 0.330 1.00 1.42 O ATOM 835 CB ARG A 100 -25.862 26.928 1.785 1.00 74.34 C ATOM 836 CG ARG A 100 -26.593 26.718 3.101 1.00 63.21 C ATOM 837 CD ARG A 100 -27.911 27.475 3.133 1.00 31.24 C ATOM 838 NE ARG A 100 -28.088 28.213 4.381 1.00 44.41 N ATOM 839 CZ ARG A 100 -27.357 29.270 4.719 1.00 52.21 C ATOM 840 NH1 ARG A 100 -26.406 29.710 3.907 1.00 52.25 N ATOM 841 NH2 ARG A 100 -27.578 29.889 5.872 1.00 43.55 N ATOM 0 H ARG A 100 -23.897 26.711 -0.061 1.00 53.12 H new ATOM 0 HA ARG A 100 -24.954 25.010 2.123 1.00 72.22 H new ATOM 0 HB2 ARG A 100 -25.140 27.736 1.905 1.00 74.34 H new ATOM 0 HB3 ARG A 100 -26.578 27.250 1.029 1.00 74.34 H new ATOM 0 HG2 ARG A 100 -26.779 25.654 3.249 1.00 63.21 H new ATOM 0 HG3 ARG A 100 -25.962 27.049 3.926 1.00 63.21 H new ATOM 0 HD2 ARG A 100 -27.951 28.168 2.293 1.00 31.24 H new ATOM 0 HD3 ARG A 100 -28.735 26.773 3.007 1.00 31.24 H new ATOM 0 HE ARG A 100 -28.812 27.900 5.028 1.00 44.41 H new ATOM 0 HH11 ARG A 100 -26.234 29.237 3.020 1.00 52.25 H new ATOM 0 HH12 ARG A 100 -25.847 30.522 4.169 1.00 52.25 H new ATOM 0 HH21 ARG A 100 -28.309 29.553 6.499 1.00 43.55 H new ATOM 0 HH22 ARG A 100 -27.017 30.700 6.131 1.00 43.55 H new ATOM 855 N ILE A 101 -25.350 24.292 -0.696 1.00 24.33 N ATOM 856 CA ILE A 101 -26.059 23.555 -1.734 1.00 34.32 C ATOM 857 C ILE A 101 -27.049 24.454 -2.467 1.00 34.52 C ATOM 858 O ILE A 101 -28.045 23.982 -3.016 1.00 34.55 O ATOM 859 CB ILE A 101 -26.815 22.347 -1.150 1.00 31.51 C ATOM 860 CG1 ILE A 101 -25.970 21.660 -0.075 1.00 14.15 C ATOM 861 CG2 ILE A 101 -27.177 21.364 -2.254 1.00 12.32 C ATOM 862 CD1 ILE A 101 -26.635 20.443 0.530 1.00 65.22 C ATOM 0 H ILE A 101 -24.333 24.253 -0.771 1.00 24.33 H new ATOM 0 HA ILE A 101 -25.307 23.197 -2.437 1.00 34.32 H new ATOM 0 HB ILE A 101 -27.737 22.702 -0.690 1.00 31.51 H new ATOM 0 HG12 ILE A 101 -25.015 21.364 -0.509 1.00 14.15 H new ATOM 0 HG13 ILE A 101 -25.752 22.376 0.717 1.00 14.15 H new ATOM 0 HG21 ILE A 101 -27.711 20.516 -1.825 1.00 12.32 H new ATOM 0 HG22 ILE A 101 -27.813 21.859 -2.988 1.00 12.32 H new ATOM 0 HG23 ILE A 101 -26.267 21.012 -2.740 1.00 12.32 H new ATOM 0 HD11 ILE A 101 -25.979 20.007 1.284 1.00 65.22 H new ATOM 0 HD12 ILE A 101 -27.577 20.736 0.994 1.00 65.22 H new ATOM 0 HD13 ILE A 101 -26.828 19.708 -0.251 1.00 65.22 H new ATOM 874 N LYS A 102 -26.768 25.752 -2.474 1.00 12.13 N ATOM 875 CA LYS A 102 -27.631 26.719 -3.142 1.00 32.12 C ATOM 876 C LYS A 102 -26.827 27.920 -3.630 1.00 74.20 C ATOM 877 O LYS A 102 -26.166 28.597 -2.843 1.00 45.33 O ATOM 878 CB LYS A 102 -28.739 27.184 -2.195 1.00 13.55 C ATOM 879 CG LYS A 102 -30.013 27.604 -2.908 1.00 21.01 C ATOM 880 CD LYS A 102 -29.987 29.078 -3.274 1.00 51.44 C ATOM 881 CE LYS A 102 -31.375 29.588 -3.633 1.00 4.14 C ATOM 882 NZ LYS A 102 -32.228 29.769 -2.426 1.00 3.45 N ATOM 0 H LYS A 102 -25.948 26.159 -2.024 1.00 12.13 H new ATOM 0 HA LYS A 102 -28.081 26.231 -4.006 1.00 32.12 H new ATOM 0 HB2 LYS A 102 -28.971 26.379 -1.498 1.00 13.55 H new ATOM 0 HB3 LYS A 102 -28.371 28.022 -1.603 1.00 13.55 H new ATOM 0 HG2 LYS A 102 -30.140 27.006 -3.811 1.00 21.01 H new ATOM 0 HG3 LYS A 102 -30.872 27.402 -2.269 1.00 21.01 H new ATOM 0 HD2 LYS A 102 -29.591 29.655 -2.438 1.00 51.44 H new ATOM 0 HD3 LYS A 102 -29.312 29.233 -4.116 1.00 51.44 H new ATOM 0 HE2 LYS A 102 -31.288 30.537 -4.162 1.00 4.14 H new ATOM 0 HE3 LYS A 102 -31.855 28.886 -4.315 1.00 4.14 H new ATOM 0 HZ1 LYS A 102 -33.091 30.288 -2.685 1.00 3.45 H new ATOM 0 HZ2 LYS A 102 -32.486 28.838 -2.041 1.00 3.45 H new ATOM 0 HZ3 LYS A 102 -31.703 30.307 -1.708 1.00 3.45 H new TER 896 LYS A 102