USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=7 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 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.13) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.75) USER MOD Single : A 77 ASN : amide:sc= -0.956 K(o=-0.96,f=-2) USER MOD Single : A 80 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.4!) USER MOD Single : A 81 GLN : amide:sc=-0.00558 K(o=-0.0056,f=-0.74) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0881) USER MOD Single : A 90 THR OG1 : rot -44:sc= 0.972 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0344) USER MOD Single : A 97 SER OG : rot 170:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -165:sc= -0.0123 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 -4.572 5.585 -4.312 1.00 64.42 N ATOM 2 CA GLY A 46 -4.864 5.026 -3.005 1.00 0.10 C ATOM 3 C GLY A 46 -3.624 4.884 -2.145 1.00 11.45 C ATOM 4 O GLY A 46 -3.628 5.260 -0.972 1.00 64.13 O ATOM 0 HA2 GLY A 46 -5.586 5.663 -2.494 1.00 0.10 H new ATOM 0 HA3 GLY A 46 -5.331 4.049 -3.127 1.00 0.10 H new ATOM 8 N SER A 47 -2.561 4.339 -2.727 1.00 3.52 N ATOM 9 CA SER A 47 -1.310 4.144 -2.004 1.00 23.24 C ATOM 10 C SER A 47 -0.174 4.922 -2.662 1.00 33.21 C ATOM 11 O SER A 47 0.256 4.597 -3.768 1.00 32.23 O ATOM 12 CB SER A 47 -0.957 2.656 -1.945 1.00 50.24 C ATOM 13 OG SER A 47 -1.957 1.921 -1.261 1.00 52.44 O ATOM 0 H SER A 47 -2.541 4.025 -3.697 1.00 3.52 H new ATOM 0 HA SER A 47 -1.444 4.519 -0.989 1.00 23.24 H new ATOM 0 HB2 SER A 47 -0.842 2.266 -2.956 1.00 50.24 H new ATOM 0 HB3 SER A 47 0.002 2.526 -1.443 1.00 50.24 H new ATOM 0 HG SER A 47 -1.709 0.973 -1.239 1.00 52.44 H new ATOM 19 N ASN A 48 0.306 5.952 -1.973 1.00 23.43 N ATOM 20 CA ASN A 48 1.391 6.778 -2.490 1.00 25.54 C ATOM 21 C ASN A 48 1.064 7.293 -3.888 1.00 25.40 C ATOM 22 O ASN A 48 1.685 6.907 -4.879 1.00 53.22 O ATOM 23 CB ASN A 48 2.697 5.980 -2.520 1.00 1.31 C ATOM 24 CG ASN A 48 2.842 5.063 -1.321 1.00 44.10 C ATOM 25 OD1 ASN A 48 2.524 3.876 -1.391 1.00 55.13 O ATOM 26 ND2 ASN A 48 3.326 5.611 -0.212 1.00 53.12 N ATOM 0 H ASN A 48 -0.039 6.235 -1.056 1.00 23.43 H new ATOM 0 HA ASN A 48 1.511 7.634 -1.826 1.00 25.54 H new ATOM 0 HB2 ASN A 48 2.737 5.387 -3.434 1.00 1.31 H new ATOM 0 HB3 ASN A 48 3.540 6.670 -2.551 1.00 1.31 H new ATOM 0 HD21 ASN A 48 3.447 5.043 0.627 1.00 53.12 H new ATOM 0 HD22 ASN A 48 3.577 6.600 -0.199 1.00 53.12 H new ATOM 33 N PRO A 49 0.067 8.185 -3.971 1.00 41.54 N ATOM 34 CA PRO A 49 -0.364 8.774 -5.243 1.00 35.22 C ATOM 35 C PRO A 49 0.672 9.731 -5.820 1.00 44.40 C ATOM 36 O PRO A 49 1.803 9.801 -5.338 1.00 0.31 O ATOM 37 CB PRO A 49 -1.641 9.530 -4.868 1.00 53.53 C ATOM 38 CG PRO A 49 -1.488 9.839 -3.419 1.00 25.21 C ATOM 39 CD PRO A 49 -0.716 8.690 -2.831 1.00 2.02 C ATOM 0 HA PRO A 49 -0.511 8.017 -6.014 1.00 35.22 H new ATOM 0 HB2 PRO A 49 -1.749 10.440 -5.457 1.00 53.53 H new ATOM 0 HB3 PRO A 49 -2.528 8.924 -5.052 1.00 53.53 H new ATOM 0 HG2 PRO A 49 -0.958 10.780 -3.274 1.00 25.21 H new ATOM 0 HG3 PRO A 49 -2.460 9.943 -2.937 1.00 25.21 H new ATOM 0 HD2 PRO A 49 -0.072 9.015 -2.014 1.00 2.02 H new ATOM 0 HD3 PRO A 49 -1.379 7.924 -2.429 1.00 2.02 H new ATOM 47 N ASP A 50 0.280 10.467 -6.854 1.00 41.30 N ATOM 48 CA ASP A 50 1.176 11.423 -7.496 1.00 74.41 C ATOM 49 C ASP A 50 0.719 12.855 -7.237 1.00 33.21 C ATOM 50 O ASP A 50 -0.427 13.109 -6.865 1.00 51.11 O ATOM 51 CB ASP A 50 1.242 11.160 -9.001 1.00 72.34 C ATOM 52 CG ASP A 50 2.373 10.223 -9.376 1.00 44.03 C ATOM 53 OD1 ASP A 50 3.546 10.638 -9.269 1.00 63.50 O ATOM 54 OD2 ASP A 50 2.086 9.076 -9.778 1.00 21.32 O ATOM 0 H ASP A 50 -0.652 10.420 -7.266 1.00 41.30 H new ATOM 0 HA ASP A 50 2.170 11.295 -7.068 1.00 74.41 H new ATOM 0 HB2 ASP A 50 0.296 10.734 -9.334 1.00 72.34 H new ATOM 0 HB3 ASP A 50 1.368 12.106 -9.527 1.00 72.34 H new ATOM 59 N PRO A 51 1.635 13.814 -7.436 1.00 71.23 N ATOM 60 CA PRO A 51 1.349 15.237 -7.230 1.00 24.34 C ATOM 61 C PRO A 51 0.394 15.795 -8.279 1.00 61.30 C ATOM 62 O PRO A 51 -0.038 16.943 -8.189 1.00 42.50 O ATOM 63 CB PRO A 51 2.725 15.896 -7.354 1.00 40.31 C ATOM 64 CG PRO A 51 3.516 14.965 -8.206 1.00 22.43 C ATOM 65 CD PRO A 51 3.020 13.583 -7.879 1.00 41.04 C ATOM 0 HA PRO A 51 0.858 15.420 -6.274 1.00 24.34 H new ATOM 0 HB2 PRO A 51 2.651 16.883 -7.810 1.00 40.31 H new ATOM 0 HB3 PRO A 51 3.189 16.030 -6.377 1.00 40.31 H new ATOM 0 HG2 PRO A 51 3.377 15.190 -9.263 1.00 22.43 H new ATOM 0 HG3 PRO A 51 4.582 15.056 -7.999 1.00 22.43 H new ATOM 0 HD2 PRO A 51 3.060 12.926 -8.748 1.00 41.04 H new ATOM 0 HD3 PRO A 51 3.619 13.115 -7.098 1.00 41.04 H new ATOM 73 N GLN A 52 0.069 14.974 -9.272 1.00 74.24 N ATOM 74 CA GLN A 52 -0.836 15.387 -10.339 1.00 22.01 C ATOM 75 C GLN A 52 -2.259 14.918 -10.058 1.00 34.34 C ATOM 76 O GLN A 52 -3.226 15.575 -10.441 1.00 12.31 O ATOM 77 CB GLN A 52 -0.360 14.833 -11.683 1.00 41.30 C ATOM 78 CG GLN A 52 -0.492 13.323 -11.800 1.00 53.43 C ATOM 79 CD GLN A 52 0.308 12.755 -12.956 1.00 54.51 C ATOM 80 OE1 GLN A 52 0.864 13.498 -13.765 1.00 42.22 O ATOM 81 NE2 GLN A 52 0.369 11.432 -13.040 1.00 25.45 N ATOM 0 H GLN A 52 0.418 14.020 -9.360 1.00 74.24 H new ATOM 0 HA GLN A 52 -0.834 16.476 -10.381 1.00 22.01 H new ATOM 0 HB2 GLN A 52 -0.932 15.302 -12.483 1.00 41.30 H new ATOM 0 HB3 GLN A 52 0.683 15.111 -11.832 1.00 41.30 H new ATOM 0 HG2 GLN A 52 -0.160 12.860 -10.871 1.00 53.43 H new ATOM 0 HG3 GLN A 52 -1.543 13.063 -11.928 1.00 53.43 H new ATOM 0 HE21 GLN A 52 -0.107 10.854 -12.347 1.00 25.45 H new ATOM 0 HE22 GLN A 52 0.892 10.993 -13.797 1.00 25.45 H new ATOM 90 N GLU A 53 -2.379 13.777 -9.386 1.00 75.43 N ATOM 91 CA GLU A 53 -3.686 13.220 -9.055 1.00 62.43 C ATOM 92 C GLU A 53 -4.157 13.712 -7.690 1.00 54.43 C ATOM 93 O GLU A 53 -5.357 13.770 -7.419 1.00 22.32 O ATOM 94 CB GLU A 53 -3.631 11.691 -9.067 1.00 23.53 C ATOM 95 CG GLU A 53 -4.980 11.031 -8.836 1.00 50.10 C ATOM 96 CD GLU A 53 -5.384 10.115 -9.975 1.00 23.44 C ATOM 97 OE1 GLU A 53 -4.549 9.286 -10.395 1.00 11.33 O ATOM 98 OE2 GLU A 53 -6.535 10.226 -10.445 1.00 72.03 O ATOM 0 H GLU A 53 -1.588 13.221 -9.061 1.00 75.43 H new ATOM 0 HA GLU A 53 -4.398 13.557 -9.809 1.00 62.43 H new ATOM 0 HB2 GLU A 53 -3.232 11.358 -10.025 1.00 23.53 H new ATOM 0 HB3 GLU A 53 -2.935 11.355 -8.298 1.00 23.53 H new ATOM 0 HG2 GLU A 53 -4.946 10.459 -7.909 1.00 50.10 H new ATOM 0 HG3 GLU A 53 -5.740 11.802 -8.707 1.00 50.10 H new ATOM 105 N VAL A 54 -3.204 14.067 -6.834 1.00 34.31 N ATOM 106 CA VAL A 54 -3.521 14.555 -5.497 1.00 42.11 C ATOM 107 C VAL A 54 -3.831 16.048 -5.516 1.00 72.45 C ATOM 108 O VAL A 54 -4.845 16.487 -4.975 1.00 11.11 O ATOM 109 CB VAL A 54 -2.362 14.295 -4.516 1.00 13.51 C ATOM 110 CG1 VAL A 54 -2.721 14.790 -3.123 1.00 11.11 C ATOM 111 CG2 VAL A 54 -2.007 12.816 -4.491 1.00 15.55 C ATOM 0 H VAL A 54 -2.206 14.026 -7.043 1.00 34.31 H new ATOM 0 HA VAL A 54 -4.402 14.008 -5.161 1.00 42.11 H new ATOM 0 HB VAL A 54 -1.488 14.849 -4.858 1.00 13.51 H new ATOM 0 HG11 VAL A 54 -1.891 14.598 -2.443 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -2.921 15.861 -3.158 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -3.609 14.266 -2.768 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -1.186 12.651 -3.793 1.00 15.55 H new ATOM 0 HG22 VAL A 54 -2.875 12.239 -4.174 1.00 15.55 H new ATOM 0 HG23 VAL A 54 -1.704 12.498 -5.489 1.00 15.55 H new ATOM 121 N GLN A 55 -2.951 16.821 -6.144 1.00 55.23 N ATOM 122 CA GLN A 55 -3.132 18.265 -6.234 1.00 10.31 C ATOM 123 C GLN A 55 -4.514 18.608 -6.781 1.00 1.35 C ATOM 124 O GLN A 55 -5.108 19.619 -6.404 1.00 62.20 O ATOM 125 CB GLN A 55 -2.051 18.881 -7.124 1.00 11.42 C ATOM 126 CG GLN A 55 -2.291 18.667 -8.609 1.00 53.25 C ATOM 127 CD GLN A 55 -1.249 19.350 -9.473 1.00 72.25 C ATOM 128 OE1 GLN A 55 -0.694 18.745 -10.391 1.00 53.14 O ATOM 129 NE2 GLN A 55 -0.978 20.617 -9.184 1.00 25.11 N ATOM 0 H GLN A 55 -2.107 16.472 -6.597 1.00 55.23 H new ATOM 0 HA GLN A 55 -3.046 18.680 -5.230 1.00 10.31 H new ATOM 0 HB2 GLN A 55 -1.994 19.951 -6.924 1.00 11.42 H new ATOM 0 HB3 GLN A 55 -1.084 18.455 -6.855 1.00 11.42 H new ATOM 0 HG2 GLN A 55 -2.291 17.598 -8.823 1.00 53.25 H new ATOM 0 HG3 GLN A 55 -3.279 19.044 -8.872 1.00 53.25 H new ATOM 0 HE21 GLN A 55 -1.462 21.079 -8.414 1.00 25.11 H new ATOM 0 HE22 GLN A 55 -0.286 21.128 -9.732 1.00 25.11 H new ATOM 138 N ARG A 56 -5.020 17.761 -7.671 1.00 23.24 N ATOM 139 CA ARG A 56 -6.331 17.975 -8.270 1.00 52.33 C ATOM 140 C ARG A 56 -7.442 17.530 -7.323 1.00 4.40 C ATOM 141 O ARG A 56 -8.559 18.043 -7.377 1.00 31.14 O ATOM 142 CB ARG A 56 -6.441 17.216 -9.594 1.00 3.12 C ATOM 143 CG ARG A 56 -5.562 17.784 -10.696 1.00 62.03 C ATOM 144 CD ARG A 56 -6.394 18.384 -11.819 1.00 10.14 C ATOM 145 NE ARG A 56 -5.571 19.109 -12.783 1.00 0.43 N ATOM 146 CZ ARG A 56 -6.014 19.518 -13.966 1.00 42.34 C ATOM 147 NH1 ARG A 56 -7.265 19.275 -14.330 1.00 34.30 N ATOM 148 NH2 ARG A 56 -5.204 20.173 -14.789 1.00 72.11 N ATOM 0 H ARG A 56 -4.541 16.920 -7.993 1.00 23.24 H new ATOM 0 HA ARG A 56 -6.445 19.042 -8.460 1.00 52.33 H new ATOM 0 HB2 ARG A 56 -6.173 16.173 -9.428 1.00 3.12 H new ATOM 0 HB3 ARG A 56 -7.479 17.229 -9.926 1.00 3.12 H new ATOM 0 HG2 ARG A 56 -4.904 18.548 -10.281 1.00 62.03 H new ATOM 0 HG3 ARG A 56 -4.923 16.996 -11.096 1.00 62.03 H new ATOM 0 HD2 ARG A 56 -6.938 17.590 -12.331 1.00 10.14 H new ATOM 0 HD3 ARG A 56 -7.138 19.060 -11.397 1.00 10.14 H new ATOM 0 HE ARG A 56 -4.603 19.312 -12.534 1.00 0.43 H new ATOM 0 HH11 ARG A 56 -7.891 18.772 -13.701 1.00 34.30 H new ATOM 0 HH12 ARG A 56 -7.602 19.591 -15.240 1.00 34.30 H new ATOM 0 HH21 ARG A 56 -4.241 20.362 -14.513 1.00 72.11 H new ATOM 0 HH22 ARG A 56 -5.545 20.487 -15.698 1.00 72.11 H new ATOM 162 N ALA A 57 -7.125 16.573 -6.457 1.00 13.31 N ATOM 163 CA ALA A 57 -8.095 16.061 -5.497 1.00 71.52 C ATOM 164 C ALA A 57 -8.357 17.073 -4.387 1.00 61.12 C ATOM 165 O ALA A 57 -9.470 17.165 -3.867 1.00 25.03 O ATOM 166 CB ALA A 57 -7.610 14.744 -4.909 1.00 73.53 C ATOM 0 H ALA A 57 -6.205 16.137 -6.401 1.00 13.31 H new ATOM 0 HA ALA A 57 -9.034 15.888 -6.024 1.00 71.52 H new ATOM 0 HB1 ALA A 57 -8.344 14.373 -4.194 1.00 73.53 H new ATOM 0 HB2 ALA A 57 -7.481 14.014 -5.708 1.00 73.53 H new ATOM 0 HB3 ALA A 57 -6.657 14.900 -4.403 1.00 73.53 H new ATOM 172 N LEU A 58 -7.326 17.830 -4.029 1.00 12.25 N ATOM 173 CA LEU A 58 -7.445 18.836 -2.979 1.00 3.41 C ATOM 174 C LEU A 58 -8.640 19.750 -3.232 1.00 61.45 C ATOM 175 O LEU A 58 -9.468 19.965 -2.348 1.00 3.02 O ATOM 176 CB LEU A 58 -6.163 19.667 -2.894 1.00 61.30 C ATOM 177 CG LEU A 58 -5.212 19.318 -1.749 1.00 22.04 C ATOM 178 CD1 LEU A 58 -3.794 19.135 -2.269 1.00 14.24 C ATOM 179 CD2 LEU A 58 -5.253 20.395 -0.674 1.00 51.14 C ATOM 0 H LEU A 58 -6.399 17.767 -4.450 1.00 12.25 H new ATOM 0 HA LEU A 58 -7.600 18.319 -2.032 1.00 3.41 H new ATOM 0 HB2 LEU A 58 -5.622 19.561 -3.834 1.00 61.30 H new ATOM 0 HB3 LEU A 58 -6.440 20.717 -2.802 1.00 61.30 H new ATOM 0 HG LEU A 58 -5.538 18.377 -1.305 1.00 22.04 H new ATOM 0 HD11 LEU A 58 -3.132 18.887 -1.440 1.00 14.24 H new ATOM 0 HD12 LEU A 58 -3.776 18.328 -3.001 1.00 14.24 H new ATOM 0 HD13 LEU A 58 -3.457 20.059 -2.739 1.00 14.24 H new ATOM 0 HD21 LEU A 58 -4.570 20.130 0.133 1.00 51.14 H new ATOM 0 HD22 LEU A 58 -4.953 21.350 -1.104 1.00 51.14 H new ATOM 0 HD23 LEU A 58 -6.266 20.477 -0.280 1.00 51.14 H new ATOM 191 N ALA A 59 -8.724 20.282 -4.447 1.00 41.02 N ATOM 192 CA ALA A 59 -9.820 21.168 -4.819 1.00 1.33 C ATOM 193 C ALA A 59 -11.106 20.383 -5.054 1.00 65.31 C ATOM 194 O ALA A 59 -12.191 20.958 -5.126 1.00 15.22 O ATOM 195 CB ALA A 59 -9.454 21.969 -6.060 1.00 2.05 C ATOM 0 H ALA A 59 -8.046 20.115 -5.190 1.00 41.02 H new ATOM 0 HA ALA A 59 -9.992 21.858 -3.993 1.00 1.33 H new ATOM 0 HB1 ALA A 59 -10.282 22.626 -6.326 1.00 2.05 H new ATOM 0 HB2 ALA A 59 -8.566 22.568 -5.858 1.00 2.05 H new ATOM 0 HB3 ALA A 59 -9.252 21.288 -6.886 1.00 2.05 H new ATOM 201 N ARG A 60 -10.975 19.066 -5.174 1.00 71.53 N ATOM 202 CA ARG A 60 -12.127 18.202 -5.404 1.00 23.53 C ATOM 203 C ARG A 60 -12.828 17.870 -4.090 1.00 23.44 C ATOM 204 O ARG A 60 -13.925 17.311 -4.084 1.00 60.31 O ATOM 205 CB ARG A 60 -11.692 16.912 -6.102 1.00 74.33 C ATOM 206 CG ARG A 60 -11.291 17.111 -7.555 1.00 1.24 C ATOM 207 CD ARG A 60 -12.459 16.858 -8.495 1.00 65.42 C ATOM 208 NE ARG A 60 -12.316 17.586 -9.753 1.00 14.31 N ATOM 209 CZ ARG A 60 -12.544 18.889 -9.877 1.00 44.20 C ATOM 210 NH1 ARG A 60 -12.921 19.603 -8.825 1.00 72.14 N ATOM 211 NH2 ARG A 60 -12.393 19.481 -11.055 1.00 64.11 N ATOM 0 H ARG A 60 -10.083 18.574 -5.116 1.00 71.53 H new ATOM 0 HA ARG A 60 -12.828 18.736 -6.045 1.00 23.53 H new ATOM 0 HB2 ARG A 60 -10.852 16.480 -5.558 1.00 74.33 H new ATOM 0 HB3 ARG A 60 -12.508 16.190 -6.055 1.00 74.33 H new ATOM 0 HG2 ARG A 60 -10.923 18.127 -7.696 1.00 1.24 H new ATOM 0 HG3 ARG A 60 -10.471 16.437 -7.803 1.00 1.24 H new ATOM 0 HD2 ARG A 60 -12.534 15.790 -8.701 1.00 65.42 H new ATOM 0 HD3 ARG A 60 -13.388 17.155 -8.008 1.00 65.42 H new ATOM 0 HE ARG A 60 -12.025 17.066 -10.581 1.00 14.31 H new ATOM 0 HH11 ARG A 60 -13.037 19.152 -7.917 1.00 72.14 H new ATOM 0 HH12 ARG A 60 -13.095 20.603 -8.923 1.00 72.14 H new ATOM 0 HH21 ARG A 60 -12.102 18.936 -11.866 1.00 64.11 H new ATOM 0 HH22 ARG A 60 -12.568 20.481 -11.149 1.00 64.11 H new ATOM 225 N ILE A 61 -12.187 18.217 -2.979 1.00 24.01 N ATOM 226 CA ILE A 61 -12.749 17.956 -1.660 1.00 1.44 C ATOM 227 C ILE A 61 -14.139 18.569 -1.524 1.00 20.52 C ATOM 228 O ILE A 61 -14.958 18.106 -0.729 1.00 32.12 O ATOM 229 CB ILE A 61 -11.845 18.511 -0.543 1.00 21.22 C ATOM 230 CG1 ILE A 61 -10.457 17.870 -0.615 1.00 13.13 C ATOM 231 CG2 ILE A 61 -12.477 18.268 0.820 1.00 64.43 C ATOM 232 CD1 ILE A 61 -9.413 18.596 0.204 1.00 12.32 C ATOM 0 H ILE A 61 -11.278 18.680 -2.966 1.00 24.01 H new ATOM 0 HA ILE A 61 -12.819 16.873 -1.556 1.00 1.44 H new ATOM 0 HB ILE A 61 -11.736 19.586 -0.684 1.00 21.22 H new ATOM 0 HG12 ILE A 61 -10.524 16.838 -0.271 1.00 13.13 H new ATOM 0 HG13 ILE A 61 -10.134 17.839 -1.655 1.00 13.13 H new ATOM 0 HG21 ILE A 61 -11.826 18.666 1.599 1.00 64.43 H new ATOM 0 HG22 ILE A 61 -13.445 18.767 0.866 1.00 64.43 H new ATOM 0 HG23 ILE A 61 -12.613 17.197 0.972 1.00 64.43 H new ATOM 0 HD11 ILE A 61 -8.454 18.086 0.106 1.00 12.32 H new ATOM 0 HD12 ILE A 61 -9.317 19.621 -0.154 1.00 12.32 H new ATOM 0 HD13 ILE A 61 -9.714 18.605 1.252 1.00 12.32 H new ATOM 244 N LEU A 62 -14.399 19.610 -2.306 1.00 14.32 N ATOM 245 CA LEU A 62 -15.692 20.286 -2.275 1.00 71.21 C ATOM 246 C LEU A 62 -16.724 19.525 -3.102 1.00 2.31 C ATOM 247 O LEU A 62 -17.926 19.614 -2.849 1.00 43.22 O ATOM 248 CB LEU A 62 -15.555 21.716 -2.800 1.00 41.01 C ATOM 249 CG LEU A 62 -15.084 22.760 -1.787 1.00 40.54 C ATOM 250 CD1 LEU A 62 -14.935 24.120 -2.453 1.00 23.22 C ATOM 251 CD2 LEU A 62 -16.052 22.842 -0.616 1.00 24.53 C ATOM 0 H LEU A 62 -13.732 20.005 -2.969 1.00 14.32 H new ATOM 0 HA LEU A 62 -16.034 20.317 -1.240 1.00 71.21 H new ATOM 0 HB2 LEU A 62 -14.856 21.709 -3.637 1.00 41.01 H new ATOM 0 HB3 LEU A 62 -16.521 22.031 -3.194 1.00 41.01 H new ATOM 0 HG LEU A 62 -14.109 22.455 -1.406 1.00 40.54 H new ATOM 0 HD11 LEU A 62 -14.599 24.851 -1.717 1.00 23.22 H new ATOM 0 HD12 LEU A 62 -14.203 24.053 -3.258 1.00 23.22 H new ATOM 0 HD13 LEU A 62 -15.896 24.432 -2.862 1.00 23.22 H new ATOM 0 HD21 LEU A 62 -15.701 23.590 0.095 1.00 24.53 H new ATOM 0 HD22 LEU A 62 -17.040 23.123 -0.980 1.00 24.53 H new ATOM 0 HD23 LEU A 62 -16.109 21.872 -0.123 1.00 24.53 H new ATOM 263 N CYS A 63 -16.246 18.776 -4.090 1.00 35.42 N ATOM 264 CA CYS A 63 -17.126 17.997 -4.953 1.00 51.34 C ATOM 265 C CYS A 63 -17.346 16.598 -4.386 1.00 73.22 C ATOM 266 O CYS A 63 -18.481 16.183 -4.153 1.00 71.23 O ATOM 267 CB CYS A 63 -16.538 17.902 -6.363 1.00 22.45 C ATOM 268 SG CYS A 63 -17.786 17.878 -7.689 1.00 41.03 S ATOM 0 H CYS A 63 -15.254 18.692 -4.313 1.00 35.42 H new ATOM 0 HA CYS A 63 -18.089 18.505 -5.001 1.00 51.34 H new ATOM 0 HB2 CYS A 63 -15.869 18.747 -6.524 1.00 22.45 H new ATOM 0 HB3 CYS A 63 -15.932 16.998 -6.432 1.00 22.45 H new ATOM 273 N ALA A 64 -16.252 15.876 -4.166 1.00 74.34 N ATOM 274 CA ALA A 64 -16.325 14.525 -3.625 1.00 32.54 C ATOM 275 C ALA A 64 -17.178 14.485 -2.361 1.00 71.10 C ATOM 276 O ALA A 64 -18.273 13.921 -2.356 1.00 53.33 O ATOM 277 CB ALA A 64 -14.928 13.995 -3.337 1.00 40.14 C ATOM 0 H ALA A 64 -15.305 16.204 -4.354 1.00 74.34 H new ATOM 0 HA ALA A 64 -16.797 13.887 -4.372 1.00 32.54 H new ATOM 0 HB1 ALA A 64 -14.998 12.985 -2.933 1.00 40.14 H new ATOM 0 HB2 ALA A 64 -14.348 13.978 -4.260 1.00 40.14 H new ATOM 0 HB3 ALA A 64 -14.436 14.642 -2.611 1.00 40.14 H new ATOM 283 N LEU A 65 -16.670 15.086 -1.291 1.00 24.52 N ATOM 284 CA LEU A 65 -17.385 15.118 -0.020 1.00 1.42 C ATOM 285 C LEU A 65 -17.572 13.710 0.536 1.00 11.43 C ATOM 286 O LEU A 65 -18.593 13.068 0.296 1.00 34.22 O ATOM 287 CB LEU A 65 -18.746 15.795 -0.195 1.00 63.22 C ATOM 288 CG LEU A 65 -18.870 17.210 0.371 1.00 22.33 C ATOM 289 CD1 LEU A 65 -17.855 18.137 -0.280 1.00 74.55 C ATOM 290 CD2 LEU A 65 -20.283 17.740 0.176 1.00 44.32 C ATOM 0 H LEU A 65 -15.766 15.558 -1.278 1.00 24.52 H new ATOM 0 HA LEU A 65 -16.789 15.692 0.689 1.00 1.42 H new ATOM 0 HB2 LEU A 65 -18.978 15.830 -1.259 1.00 63.22 H new ATOM 0 HB3 LEU A 65 -19.504 15.169 0.276 1.00 63.22 H new ATOM 0 HG LEU A 65 -18.662 17.173 1.440 1.00 22.33 H new ATOM 0 HD11 LEU A 65 -17.959 19.139 0.136 1.00 74.55 H new ATOM 0 HD12 LEU A 65 -16.848 17.767 -0.087 1.00 74.55 H new ATOM 0 HD13 LEU A 65 -18.030 18.170 -1.355 1.00 74.55 H new ATOM 0 HD21 LEU A 65 -20.353 18.748 0.585 1.00 44.32 H new ATOM 0 HD22 LEU A 65 -20.520 17.762 -0.888 1.00 44.32 H new ATOM 0 HD23 LEU A 65 -20.990 17.090 0.691 1.00 44.32 H new ATOM 302 N GLY A 66 -16.579 13.237 1.283 1.00 2.40 N ATOM 303 CA GLY A 66 -16.654 11.910 1.864 1.00 75.45 C ATOM 304 C GLY A 66 -15.641 10.956 1.263 1.00 73.53 C ATOM 305 O GLY A 66 -15.227 9.993 1.908 1.00 12.33 O ATOM 0 H GLY A 66 -15.723 13.750 1.496 1.00 2.40 H new ATOM 0 HA2 GLY A 66 -16.491 11.978 2.940 1.00 75.45 H new ATOM 0 HA3 GLY A 66 -17.657 11.509 1.718 1.00 75.45 H new ATOM 309 N GLU A 67 -15.243 11.222 0.023 1.00 63.23 N ATOM 310 CA GLU A 67 -14.274 10.377 -0.665 1.00 45.04 C ATOM 311 C GLU A 67 -12.882 11.003 -0.627 1.00 73.03 C ATOM 312 O GLU A 67 -11.884 10.313 -0.414 1.00 14.34 O ATOM 313 CB GLU A 67 -14.702 10.148 -2.116 1.00 54.32 C ATOM 314 CG GLU A 67 -15.551 8.903 -2.311 1.00 11.20 C ATOM 315 CD GLU A 67 -15.409 8.312 -3.700 1.00 21.41 C ATOM 316 OE1 GLU A 67 -14.712 8.924 -4.536 1.00 62.32 O ATOM 317 OE2 GLU A 67 -15.994 7.238 -3.951 1.00 32.52 O ATOM 0 H GLU A 67 -15.576 12.015 -0.525 1.00 63.23 H new ATOM 0 HA GLU A 67 -14.237 9.418 -0.149 1.00 45.04 H new ATOM 0 HB2 GLU A 67 -15.262 11.017 -2.462 1.00 54.32 H new ATOM 0 HB3 GLU A 67 -13.812 10.072 -2.741 1.00 54.32 H new ATOM 0 HG2 GLU A 67 -15.267 8.155 -1.571 1.00 11.20 H new ATOM 0 HG3 GLU A 67 -16.597 9.149 -2.130 1.00 11.20 H new ATOM 324 N LEU A 68 -12.824 12.313 -0.837 1.00 0.53 N ATOM 325 CA LEU A 68 -11.556 13.034 -0.827 1.00 45.01 C ATOM 326 C LEU A 68 -10.951 13.054 0.573 1.00 21.41 C ATOM 327 O LEU A 68 -9.742 13.223 0.736 1.00 74.41 O ATOM 328 CB LEU A 68 -11.756 14.465 -1.329 1.00 3.23 C ATOM 329 CG LEU A 68 -10.724 14.974 -2.336 1.00 72.34 C ATOM 330 CD1 LEU A 68 -9.346 15.047 -1.698 1.00 42.53 C ATOM 331 CD2 LEU A 68 -10.697 14.080 -3.568 1.00 43.51 C ATOM 0 H LEU A 68 -13.640 12.898 -1.016 1.00 0.53 H new ATOM 0 HA LEU A 68 -10.867 12.515 -1.493 1.00 45.01 H new ATOM 0 HB2 LEU A 68 -12.744 14.534 -1.785 1.00 3.23 H new ATOM 0 HB3 LEU A 68 -11.755 15.134 -0.468 1.00 3.23 H new ATOM 0 HG LEU A 68 -11.011 15.979 -2.646 1.00 72.34 H new ATOM 0 HD11 LEU A 68 -8.625 15.411 -2.430 1.00 42.53 H new ATOM 0 HD12 LEU A 68 -9.375 15.728 -0.847 1.00 42.53 H new ATOM 0 HD13 LEU A 68 -9.049 14.055 -1.359 1.00 42.53 H new ATOM 0 HD21 LEU A 68 -9.957 14.456 -4.275 1.00 43.51 H new ATOM 0 HD22 LEU A 68 -10.434 13.064 -3.274 1.00 43.51 H new ATOM 0 HD23 LEU A 68 -11.680 14.079 -4.038 1.00 43.51 H new ATOM 343 N ASP A 69 -11.799 12.878 1.580 1.00 21.34 N ATOM 344 CA ASP A 69 -11.348 12.872 2.967 1.00 30.33 C ATOM 345 C ASP A 69 -10.315 11.773 3.198 1.00 11.11 C ATOM 346 O ASP A 69 -9.536 11.828 4.150 1.00 13.02 O ATOM 347 CB ASP A 69 -12.536 12.679 3.911 1.00 22.32 C ATOM 348 CG ASP A 69 -13.356 13.943 4.075 1.00 34.12 C ATOM 349 OD1 ASP A 69 -13.826 14.482 3.052 1.00 72.34 O ATOM 350 OD2 ASP A 69 -13.528 14.394 5.227 1.00 31.03 O ATOM 0 H ASP A 69 -12.802 12.738 1.462 1.00 21.34 H new ATOM 0 HA ASP A 69 -10.881 13.834 3.175 1.00 30.33 H new ATOM 0 HB2 ASP A 69 -13.174 11.882 3.529 1.00 22.32 H new ATOM 0 HB3 ASP A 69 -12.172 12.356 4.887 1.00 22.32 H new ATOM 355 N LYS A 70 -10.315 10.775 2.321 1.00 23.23 N ATOM 356 CA LYS A 70 -9.378 9.662 2.428 1.00 11.41 C ATOM 357 C LYS A 70 -8.027 10.028 1.821 1.00 13.35 C ATOM 358 O LYS A 70 -7.102 9.215 1.805 1.00 51.24 O ATOM 359 CB LYS A 70 -9.944 8.424 1.730 1.00 61.30 C ATOM 360 CG LYS A 70 -10.501 7.386 2.689 1.00 10.12 C ATOM 361 CD LYS A 70 -9.412 6.457 3.199 1.00 34.23 C ATOM 362 CE LYS A 70 -9.173 5.300 2.241 1.00 44.31 C ATOM 363 NZ LYS A 70 -8.811 4.048 2.962 1.00 53.42 N ATOM 0 H LYS A 70 -10.953 10.714 1.528 1.00 23.23 H new ATOM 0 HA LYS A 70 -9.233 9.441 3.486 1.00 11.41 H new ATOM 0 HB2 LYS A 70 -10.733 8.733 1.044 1.00 61.30 H new ATOM 0 HB3 LYS A 70 -9.159 7.966 1.128 1.00 61.30 H new ATOM 0 HG2 LYS A 70 -10.978 7.887 3.532 1.00 10.12 H new ATOM 0 HG3 LYS A 70 -11.273 6.802 2.187 1.00 10.12 H new ATOM 0 HD2 LYS A 70 -8.487 7.018 3.332 1.00 34.23 H new ATOM 0 HD3 LYS A 70 -9.693 6.068 4.178 1.00 34.23 H new ATOM 0 HE2 LYS A 70 -10.070 5.130 1.646 1.00 44.31 H new ATOM 0 HE3 LYS A 70 -8.375 5.563 1.546 1.00 44.31 H new ATOM 0 HZ1 LYS A 70 -8.656 3.284 2.274 1.00 53.42 H new ATOM 0 HZ2 LYS A 70 -7.941 4.202 3.510 1.00 53.42 H new ATOM 0 HZ3 LYS A 70 -9.583 3.783 3.606 1.00 53.42 H new ATOM 377 N LEU A 71 -7.920 11.256 1.326 1.00 43.03 N ATOM 378 CA LEU A 71 -6.681 11.730 0.719 1.00 5.43 C ATOM 379 C LEU A 71 -6.172 12.982 1.428 1.00 70.05 C ATOM 380 O LEU A 71 -5.043 13.016 1.916 1.00 45.10 O ATOM 381 CB LEU A 71 -6.896 12.023 -0.766 1.00 53.45 C ATOM 382 CG LEU A 71 -5.764 12.767 -1.475 1.00 64.23 C ATOM 383 CD1 LEU A 71 -5.617 12.276 -2.907 1.00 52.34 C ATOM 384 CD2 LEU A 71 -6.011 14.268 -1.447 1.00 11.14 C ATOM 0 H LEU A 71 -8.676 11.941 1.333 1.00 43.03 H new ATOM 0 HA LEU A 71 -5.931 10.945 0.823 1.00 5.43 H new ATOM 0 HB2 LEU A 71 -7.061 11.077 -1.282 1.00 53.45 H new ATOM 0 HB3 LEU A 71 -7.810 12.608 -0.872 1.00 53.45 H new ATOM 0 HG LEU A 71 -4.834 12.563 -0.945 1.00 64.23 H new ATOM 0 HD11 LEU A 71 -4.807 12.817 -3.396 1.00 52.34 H new ATOM 0 HD12 LEU A 71 -5.392 11.210 -2.905 1.00 52.34 H new ATOM 0 HD13 LEU A 71 -6.547 12.449 -3.448 1.00 52.34 H new ATOM 0 HD21 LEU A 71 -5.195 14.781 -1.956 1.00 11.14 H new ATOM 0 HD22 LEU A 71 -6.951 14.492 -1.952 1.00 11.14 H new ATOM 0 HD23 LEU A 71 -6.064 14.609 -0.413 1.00 11.14 H new ATOM 396 N VAL A 72 -7.014 14.009 1.481 1.00 35.23 N ATOM 397 CA VAL A 72 -6.652 15.262 2.133 1.00 60.22 C ATOM 398 C VAL A 72 -6.293 15.036 3.597 1.00 21.12 C ATOM 399 O VAL A 72 -5.605 15.851 4.212 1.00 31.14 O ATOM 400 CB VAL A 72 -7.796 16.290 2.049 1.00 70.42 C ATOM 401 CG1 VAL A 72 -9.059 15.737 2.693 1.00 45.42 C ATOM 402 CG2 VAL A 72 -7.384 17.600 2.702 1.00 25.12 C ATOM 0 H VAL A 72 -7.952 13.998 1.080 1.00 35.23 H new ATOM 0 HA VAL A 72 -5.783 15.654 1.605 1.00 60.22 H new ATOM 0 HB VAL A 72 -8.009 16.486 0.998 1.00 70.42 H new ATOM 0 HG11 VAL A 72 -9.856 16.477 2.624 1.00 45.42 H new ATOM 0 HG12 VAL A 72 -9.363 14.827 2.176 1.00 45.42 H new ATOM 0 HG13 VAL A 72 -8.864 15.510 3.741 1.00 45.42 H new ATOM 0 HG21 VAL A 72 -8.204 18.315 2.633 1.00 25.12 H new ATOM 0 HG22 VAL A 72 -7.143 17.424 3.750 1.00 25.12 H new ATOM 0 HG23 VAL A 72 -6.509 18.002 2.191 1.00 25.12 H new ATOM 412 N LYS A 73 -6.763 13.923 4.151 1.00 41.30 N ATOM 413 CA LYS A 73 -6.491 13.587 5.543 1.00 2.24 C ATOM 414 C LYS A 73 -5.193 12.796 5.668 1.00 22.25 C ATOM 415 O LYS A 73 -4.263 13.215 6.358 1.00 11.11 O ATOM 416 CB LYS A 73 -7.651 12.780 6.131 1.00 40.41 C ATOM 417 CG LYS A 73 -7.477 12.448 7.603 1.00 63.44 C ATOM 418 CD LYS A 73 -8.051 13.537 8.493 1.00 74.15 C ATOM 419 CE LYS A 73 -9.569 13.589 8.401 1.00 63.32 C ATOM 420 NZ LYS A 73 -10.173 14.258 9.586 1.00 54.24 N ATOM 0 H LYS A 73 -7.335 13.238 3.656 1.00 41.30 H new ATOM 0 HA LYS A 73 -6.384 14.517 6.101 1.00 2.24 H new ATOM 0 HB2 LYS A 73 -8.576 13.342 6.001 1.00 40.41 H new ATOM 0 HB3 LYS A 73 -7.759 11.853 5.568 1.00 40.41 H new ATOM 0 HG2 LYS A 73 -7.968 11.500 7.823 1.00 63.44 H new ATOM 0 HG3 LYS A 73 -6.418 12.317 7.824 1.00 63.44 H new ATOM 0 HD2 LYS A 73 -7.754 13.358 9.526 1.00 74.15 H new ATOM 0 HD3 LYS A 73 -7.635 14.502 8.204 1.00 74.15 H new ATOM 0 HE2 LYS A 73 -9.860 14.122 7.496 1.00 63.32 H new ATOM 0 HE3 LYS A 73 -9.963 12.576 8.316 1.00 63.32 H new ATOM 0 HZ1 LYS A 73 -11.208 14.274 9.486 1.00 54.24 H new ATOM 0 HZ2 LYS A 73 -9.916 13.736 10.448 1.00 54.24 H new ATOM 0 HZ3 LYS A 73 -9.817 15.233 9.653 1.00 54.24 H new ATOM 434 N ASP A 74 -5.136 11.651 4.997 1.00 51.23 N ATOM 435 CA ASP A 74 -3.951 10.803 5.031 1.00 63.53 C ATOM 436 C ASP A 74 -2.733 11.548 4.492 1.00 34.41 C ATOM 437 O ASP A 74 -1.706 11.643 5.163 1.00 13.52 O ATOM 438 CB ASP A 74 -4.186 9.529 4.217 1.00 23.23 C ATOM 439 CG ASP A 74 -2.895 8.800 3.898 1.00 75.24 C ATOM 440 OD1 ASP A 74 -1.958 8.866 4.720 1.00 61.44 O ATOM 441 OD2 ASP A 74 -2.823 8.164 2.825 1.00 61.01 O ATOM 0 H ASP A 74 -5.897 11.289 4.423 1.00 51.23 H new ATOM 0 HA ASP A 74 -3.758 10.532 6.069 1.00 63.53 H new ATOM 0 HB2 ASP A 74 -4.848 8.864 4.771 1.00 23.23 H new ATOM 0 HB3 ASP A 74 -4.695 9.784 3.288 1.00 23.23 H new ATOM 446 N GLN A 75 -2.857 12.072 3.277 1.00 64.20 N ATOM 447 CA GLN A 75 -1.765 12.806 2.648 1.00 13.42 C ATOM 448 C GLN A 75 -1.257 13.915 3.564 1.00 40.34 C ATOM 449 O GLN A 75 -0.057 14.028 3.811 1.00 22.42 O ATOM 450 CB GLN A 75 -2.223 13.400 1.315 1.00 74.53 C ATOM 451 CG GLN A 75 -1.109 13.522 0.288 1.00 23.13 C ATOM 452 CD GLN A 75 -0.615 12.174 -0.200 1.00 44.50 C ATOM 453 OE1 GLN A 75 0.588 11.908 -0.211 1.00 35.23 O ATOM 454 NE2 GLN A 75 -1.542 11.316 -0.608 1.00 22.23 N ATOM 0 H GLN A 75 -3.701 12.002 2.709 1.00 64.20 H new ATOM 0 HA GLN A 75 -0.949 12.107 2.465 1.00 13.42 H new ATOM 0 HB2 GLN A 75 -3.018 12.778 0.904 1.00 74.53 H new ATOM 0 HB3 GLN A 75 -2.650 14.387 1.494 1.00 74.53 H new ATOM 0 HG2 GLN A 75 -1.466 14.103 -0.562 1.00 23.13 H new ATOM 0 HG3 GLN A 75 -0.276 14.074 0.725 1.00 23.13 H new ATOM 0 HE21 GLN A 75 -2.527 11.579 -0.581 1.00 22.23 H new ATOM 0 HE22 GLN A 75 -1.269 10.394 -0.948 1.00 22.23 H new ATOM 463 N ALA A 76 -2.178 14.732 4.063 1.00 54.51 N ATOM 464 CA ALA A 76 -1.824 15.832 4.952 1.00 24.52 C ATOM 465 C ALA A 76 -1.313 15.311 6.292 1.00 52.04 C ATOM 466 O ALA A 76 -0.762 16.065 7.092 1.00 41.42 O ATOM 467 CB ALA A 76 -3.020 16.749 5.161 1.00 24.52 C ATOM 0 H ALA A 76 -3.176 14.653 3.867 1.00 54.51 H new ATOM 0 HA ALA A 76 -1.022 16.402 4.483 1.00 24.52 H new ATOM 0 HB1 ALA A 76 -2.741 17.565 5.827 1.00 24.52 H new ATOM 0 HB2 ALA A 76 -3.338 17.156 4.201 1.00 24.52 H new ATOM 0 HB3 ALA A 76 -3.839 16.183 5.605 1.00 24.52 H new ATOM 473 N ASN A 77 -1.501 14.017 6.529 1.00 75.10 N ATOM 474 CA ASN A 77 -1.061 13.396 7.773 1.00 42.01 C ATOM 475 C ASN A 77 0.203 12.571 7.551 1.00 21.10 C ATOM 476 O ASN A 77 0.765 12.013 8.493 1.00 63.44 O ATOM 477 CB ASN A 77 -2.169 12.509 8.345 1.00 44.02 C ATOM 478 CG ASN A 77 -3.174 13.295 9.163 1.00 13.53 C ATOM 479 OD1 ASN A 77 -4.382 13.192 8.949 1.00 32.23 O ATOM 480 ND2 ASN A 77 -2.679 14.088 10.107 1.00 63.32 N ATOM 0 H ASN A 77 -1.955 13.378 5.876 1.00 75.10 H new ATOM 0 HA ASN A 77 -0.836 14.189 8.486 1.00 42.01 H new ATOM 0 HB2 ASN A 77 -2.685 12.004 7.528 1.00 44.02 H new ATOM 0 HB3 ASN A 77 -1.724 11.733 8.969 1.00 44.02 H new ATOM 0 HD21 ASN A 77 -3.307 14.642 10.689 1.00 63.32 H new ATOM 0 HD22 ASN A 77 -1.671 14.143 10.250 1.00 63.32 H new ATOM 487 N ALA A 78 0.644 12.499 6.299 1.00 4.35 N ATOM 488 CA ALA A 78 1.843 11.745 5.954 1.00 11.10 C ATOM 489 C ALA A 78 3.012 12.678 5.658 1.00 4.14 C ATOM 490 O ALA A 78 4.170 12.330 5.888 1.00 51.22 O ATOM 491 CB ALA A 78 1.572 10.841 4.761 1.00 72.03 C ATOM 0 H ALA A 78 0.189 12.954 5.507 1.00 4.35 H new ATOM 0 HA ALA A 78 2.113 11.127 6.811 1.00 11.10 H new ATOM 0 HB1 ALA A 78 2.476 10.284 4.514 1.00 72.03 H new ATOM 0 HB2 ALA A 78 0.772 10.143 5.007 1.00 72.03 H new ATOM 0 HB3 ALA A 78 1.274 11.447 3.905 1.00 72.03 H new ATOM 497 N GLY A 79 2.702 13.865 5.147 1.00 52.51 N ATOM 498 CA GLY A 79 3.738 14.830 4.828 1.00 63.35 C ATOM 499 C GLY A 79 3.532 15.474 3.471 1.00 3.53 C ATOM 500 O GLY A 79 4.289 16.362 3.078 1.00 14.35 O ATOM 0 H GLY A 79 1.751 14.176 4.948 1.00 52.51 H new ATOM 0 HA2 GLY A 79 3.758 15.604 5.595 1.00 63.35 H new ATOM 0 HA3 GLY A 79 4.709 14.336 4.849 1.00 63.35 H new ATOM 504 N GLN A 80 2.507 15.026 2.754 1.00 22.10 N ATOM 505 CA GLN A 80 2.206 15.564 1.433 1.00 43.12 C ATOM 506 C GLN A 80 3.472 15.673 0.588 1.00 14.33 C ATOM 507 O GLN A 80 3.664 16.651 -0.134 1.00 10.24 O ATOM 508 CB GLN A 80 1.542 16.936 1.557 1.00 11.40 C ATOM 509 CG GLN A 80 0.812 17.142 2.875 1.00 44.02 C ATOM 510 CD GLN A 80 1.706 17.726 3.951 1.00 14.24 C ATOM 511 OE1 GLN A 80 1.774 17.208 5.066 1.00 22.31 O ATOM 512 NE2 GLN A 80 2.397 18.812 3.623 1.00 34.41 N ATOM 0 H GLN A 80 1.871 14.292 3.066 1.00 22.10 H new ATOM 0 HA GLN A 80 1.518 14.879 0.938 1.00 43.12 H new ATOM 0 HB2 GLN A 80 2.302 17.709 1.448 1.00 11.40 H new ATOM 0 HB3 GLN A 80 0.836 17.064 0.736 1.00 11.40 H new ATOM 0 HG2 GLN A 80 -0.039 17.805 2.715 1.00 44.02 H new ATOM 0 HG3 GLN A 80 0.413 16.188 3.218 1.00 44.02 H new ATOM 0 HE21 GLN A 80 2.311 19.208 2.687 1.00 34.41 H new ATOM 0 HE22 GLN A 80 3.014 19.250 4.307 1.00 34.41 H new ATOM 521 N GLN A 81 4.330 14.664 0.685 1.00 65.41 N ATOM 522 CA GLN A 81 5.578 14.648 -0.070 1.00 30.32 C ATOM 523 C GLN A 81 5.306 14.630 -1.570 1.00 62.24 C ATOM 524 O GLN A 81 6.180 14.956 -2.372 1.00 44.44 O ATOM 525 CB GLN A 81 6.420 13.433 0.322 1.00 24.35 C ATOM 526 CG GLN A 81 7.634 13.221 -0.568 1.00 61.20 C ATOM 527 CD GLN A 81 8.592 14.396 -0.539 1.00 34.21 C ATOM 528 OE1 GLN A 81 8.681 15.114 0.457 1.00 20.03 O ATOM 529 NE2 GLN A 81 9.314 14.598 -1.634 1.00 43.14 N ATOM 0 H GLN A 81 4.185 13.847 1.278 1.00 65.41 H new ATOM 0 HA GLN A 81 6.130 15.557 0.170 1.00 30.32 H new ATOM 0 HB2 GLN A 81 6.752 13.549 1.354 1.00 24.35 H new ATOM 0 HB3 GLN A 81 5.794 12.541 0.287 1.00 24.35 H new ATOM 0 HG2 GLN A 81 8.160 12.321 -0.250 1.00 61.20 H new ATOM 0 HG3 GLN A 81 7.303 13.052 -1.593 1.00 61.20 H new ATOM 0 HE21 GLN A 81 9.208 13.978 -2.437 1.00 43.14 H new ATOM 0 HE22 GLN A 81 9.975 15.374 -1.673 1.00 43.14 H new ATOM 538 N GLU A 82 4.089 14.246 -1.942 1.00 31.31 N ATOM 539 CA GLU A 82 3.704 14.184 -3.347 1.00 14.41 C ATOM 540 C GLU A 82 3.705 15.576 -3.973 1.00 4.12 C ATOM 541 O GLU A 82 4.654 15.960 -4.658 1.00 73.41 O ATOM 542 CB GLU A 82 2.319 13.550 -3.492 1.00 32.13 C ATOM 543 CG GLU A 82 2.278 12.082 -3.102 1.00 21.12 C ATOM 544 CD GLU A 82 3.454 11.299 -3.653 1.00 50.10 C ATOM 545 OE1 GLU A 82 3.849 11.557 -4.809 1.00 63.51 O ATOM 546 OE2 GLU A 82 3.979 10.429 -2.927 1.00 71.32 O ATOM 0 H GLU A 82 3.353 13.973 -1.290 1.00 31.31 H new ATOM 0 HA GLU A 82 4.435 13.568 -3.870 1.00 14.41 H new ATOM 0 HB2 GLU A 82 1.610 14.101 -2.874 1.00 32.13 H new ATOM 0 HB3 GLU A 82 1.988 13.652 -4.526 1.00 32.13 H new ATOM 0 HG2 GLU A 82 2.268 11.999 -2.015 1.00 21.12 H new ATOM 0 HG3 GLU A 82 1.350 11.639 -3.464 1.00 21.12 H new ATOM 553 N PHE A 83 2.636 16.328 -3.733 1.00 22.24 N ATOM 554 CA PHE A 83 2.513 17.676 -4.273 1.00 53.44 C ATOM 555 C PHE A 83 3.199 18.692 -3.364 1.00 71.14 C ATOM 556 O PHE A 83 3.515 18.397 -2.211 1.00 55.14 O ATOM 557 CB PHE A 83 1.038 18.046 -4.448 1.00 21.32 C ATOM 558 CG PHE A 83 0.279 18.111 -3.153 1.00 43.02 C ATOM 559 CD1 PHE A 83 0.334 19.245 -2.359 1.00 50.23 C ATOM 560 CD2 PHE A 83 -0.488 17.038 -2.730 1.00 72.10 C ATOM 561 CE1 PHE A 83 -0.363 19.309 -1.168 1.00 34.34 C ATOM 562 CE2 PHE A 83 -1.188 17.096 -1.540 1.00 20.24 C ATOM 563 CZ PHE A 83 -1.125 18.232 -0.757 1.00 5.12 C ATOM 0 H PHE A 83 1.842 16.026 -3.168 1.00 22.24 H new ATOM 0 HA PHE A 83 3.004 17.696 -5.246 1.00 53.44 H new ATOM 0 HB2 PHE A 83 0.971 19.012 -4.948 1.00 21.32 H new ATOM 0 HB3 PHE A 83 0.563 17.315 -5.102 1.00 21.32 H new ATOM 0 HD1 PHE A 83 0.929 20.089 -2.675 1.00 50.23 H new ATOM 0 HD2 PHE A 83 -0.540 16.146 -3.337 1.00 72.10 H new ATOM 0 HE1 PHE A 83 -0.312 20.199 -0.559 1.00 34.34 H new ATOM 0 HE2 PHE A 83 -1.784 16.253 -1.222 1.00 20.24 H new ATOM 0 HZ PHE A 83 -1.670 18.278 0.174 1.00 5.12 H new ATOM 573 N LYS A 84 3.428 19.890 -3.892 1.00 74.31 N ATOM 574 CA LYS A 84 4.076 20.951 -3.130 1.00 75.24 C ATOM 575 C LYS A 84 3.167 22.171 -3.016 1.00 23.11 C ATOM 576 O LYS A 84 3.453 23.102 -2.262 1.00 21.24 O ATOM 577 CB LYS A 84 5.398 21.346 -3.791 1.00 40.41 C ATOM 578 CG LYS A 84 6.545 21.507 -2.808 1.00 52.12 C ATOM 579 CD LYS A 84 7.593 20.422 -2.992 1.00 12.21 C ATOM 580 CE LYS A 84 8.873 20.981 -3.593 1.00 64.43 C ATOM 581 NZ LYS A 84 10.070 20.201 -3.172 1.00 1.15 N ATOM 0 H LYS A 84 3.174 20.150 -4.845 1.00 74.31 H new ATOM 0 HA LYS A 84 4.277 20.575 -2.127 1.00 75.24 H new ATOM 0 HB2 LYS A 84 5.666 20.590 -4.529 1.00 40.41 H new ATOM 0 HB3 LYS A 84 5.259 22.283 -4.331 1.00 40.41 H new ATOM 0 HG2 LYS A 84 7.006 22.486 -2.942 1.00 52.12 H new ATOM 0 HG3 LYS A 84 6.160 21.473 -1.789 1.00 52.12 H new ATOM 0 HD2 LYS A 84 7.813 19.960 -2.030 1.00 12.21 H new ATOM 0 HD3 LYS A 84 7.198 19.639 -3.639 1.00 12.21 H new ATOM 0 HE2 LYS A 84 8.798 20.972 -4.680 1.00 64.43 H new ATOM 0 HE3 LYS A 84 8.992 22.021 -3.290 1.00 64.43 H new ATOM 0 HZ1 LYS A 84 10.922 20.613 -3.603 1.00 1.15 H new ATOM 0 HZ2 LYS A 84 10.157 20.230 -2.136 1.00 1.15 H new ATOM 0 HZ3 LYS A 84 9.968 19.214 -3.483 1.00 1.15 H new ATOM 595 N LEU A 85 2.072 22.160 -3.767 1.00 72.42 N ATOM 596 CA LEU A 85 1.120 23.265 -3.749 1.00 1.12 C ATOM 597 C LEU A 85 0.428 23.365 -2.393 1.00 53.04 C ATOM 598 O LEU A 85 0.255 22.375 -1.682 1.00 60.24 O ATOM 599 CB LEU A 85 0.078 23.086 -4.854 1.00 63.54 C ATOM 600 CG LEU A 85 0.481 23.583 -6.243 1.00 53.11 C ATOM 601 CD1 LEU A 85 -0.508 23.097 -7.292 1.00 0.25 C ATOM 602 CD2 LEU A 85 0.574 25.102 -6.259 1.00 23.10 C ATOM 0 H LEU A 85 1.821 21.398 -4.397 1.00 72.42 H new ATOM 0 HA LEU A 85 1.671 24.189 -3.925 1.00 1.12 H new ATOM 0 HB2 LEU A 85 -0.168 22.026 -4.926 1.00 63.54 H new ATOM 0 HB3 LEU A 85 -0.833 23.605 -4.555 1.00 63.54 H new ATOM 0 HG LEU A 85 1.463 23.176 -6.483 1.00 53.11 H new ATOM 0 HD11 LEU A 85 -0.205 23.461 -8.274 1.00 0.25 H new ATOM 0 HD12 LEU A 85 -0.526 22.007 -7.298 1.00 0.25 H new ATOM 0 HD13 LEU A 85 -1.503 23.475 -7.057 1.00 0.25 H new ATOM 0 HD21 LEU A 85 0.862 25.438 -7.255 1.00 23.10 H new ATOM 0 HD22 LEU A 85 -0.394 25.529 -5.998 1.00 23.10 H new ATOM 0 HD23 LEU A 85 1.321 25.428 -5.536 1.00 23.10 H new ATOM 614 N PRO A 86 0.019 24.589 -2.026 1.00 61.31 N ATOM 615 CA PRO A 86 -0.664 24.847 -0.755 1.00 22.21 C ATOM 616 C PRO A 86 -2.071 24.260 -0.723 1.00 50.43 C ATOM 617 O PRO A 86 -2.669 23.997 -1.767 1.00 11.51 O ATOM 618 CB PRO A 86 -0.720 26.375 -0.686 1.00 64.02 C ATOM 619 CG PRO A 86 -0.666 26.820 -2.107 1.00 4.32 C ATOM 620 CD PRO A 86 0.192 25.814 -2.824 1.00 12.32 C ATOM 0 HA PRO A 86 -0.146 24.388 0.087 1.00 22.21 H new ATOM 0 HB2 PRO A 86 -1.633 26.716 -0.199 1.00 64.02 H new ATOM 0 HB3 PRO A 86 0.116 26.776 -0.113 1.00 64.02 H new ATOM 0 HG2 PRO A 86 -1.665 26.861 -2.541 1.00 4.32 H new ATOM 0 HG3 PRO A 86 -0.243 27.821 -2.187 1.00 4.32 H new ATOM 0 HD2 PRO A 86 -0.132 25.671 -3.855 1.00 12.32 H new ATOM 0 HD3 PRO A 86 1.235 26.127 -2.858 1.00 12.32 H new ATOM 628 N LYS A 87 -2.596 24.058 0.481 1.00 64.25 N ATOM 629 CA LYS A 87 -3.934 23.504 0.649 1.00 1.12 C ATOM 630 C LYS A 87 -4.978 24.614 0.710 1.00 13.03 C ATOM 631 O LYS A 87 -6.147 24.397 0.391 1.00 15.43 O ATOM 632 CB LYS A 87 -4.001 22.656 1.921 1.00 25.12 C ATOM 633 CG LYS A 87 -3.583 23.405 3.175 1.00 55.53 C ATOM 634 CD LYS A 87 -2.160 23.063 3.582 1.00 72.32 C ATOM 635 CE LYS A 87 -2.032 22.918 5.090 1.00 23.44 C ATOM 636 NZ LYS A 87 -2.502 24.135 5.807 1.00 42.51 N ATOM 0 H LYS A 87 -2.115 24.270 1.355 1.00 64.25 H new ATOM 0 HA LYS A 87 -4.150 22.873 -0.213 1.00 1.12 H new ATOM 0 HB2 LYS A 87 -5.019 22.289 2.050 1.00 25.12 H new ATOM 0 HB3 LYS A 87 -3.360 21.782 1.799 1.00 25.12 H new ATOM 0 HG2 LYS A 87 -3.665 24.478 3.003 1.00 55.53 H new ATOM 0 HG3 LYS A 87 -4.264 23.160 3.990 1.00 55.53 H new ATOM 0 HD2 LYS A 87 -1.855 22.135 3.099 1.00 72.32 H new ATOM 0 HD3 LYS A 87 -1.483 23.842 3.231 1.00 72.32 H new ATOM 0 HE2 LYS A 87 -2.610 22.055 5.422 1.00 23.44 H new ATOM 0 HE3 LYS A 87 -0.991 22.723 5.349 1.00 23.44 H new ATOM 0 HZ1 LYS A 87 -2.229 24.075 6.809 1.00 42.51 H new ATOM 0 HZ2 LYS A 87 -2.068 24.979 5.380 1.00 42.51 H new ATOM 0 HZ3 LYS A 87 -3.537 24.203 5.734 1.00 42.51 H new ATOM 650 N ASP A 88 -4.549 25.802 1.120 1.00 3.35 N ATOM 651 CA ASP A 88 -5.447 26.947 1.221 1.00 45.13 C ATOM 652 C ASP A 88 -5.989 27.334 -0.152 1.00 35.45 C ATOM 653 O ASP A 88 -7.173 27.639 -0.299 1.00 31.11 O ATOM 654 CB ASP A 88 -4.721 28.138 1.850 1.00 71.43 C ATOM 655 CG ASP A 88 -4.566 27.994 3.351 1.00 63.41 C ATOM 656 OD1 ASP A 88 -3.751 27.152 3.785 1.00 54.25 O ATOM 657 OD2 ASP A 88 -5.259 28.722 4.092 1.00 31.51 O ATOM 0 H ASP A 88 -3.585 25.998 1.388 1.00 3.35 H new ATOM 0 HA ASP A 88 -6.286 26.665 1.858 1.00 45.13 H new ATOM 0 HB2 ASP A 88 -3.736 28.242 1.394 1.00 71.43 H new ATOM 0 HB3 ASP A 88 -5.272 29.053 1.631 1.00 71.43 H new ATOM 662 N PHE A 89 -5.116 27.319 -1.153 1.00 54.22 N ATOM 663 CA PHE A 89 -5.508 27.670 -2.513 1.00 44.25 C ATOM 664 C PHE A 89 -6.735 26.875 -2.949 1.00 20.03 C ATOM 665 O PHE A 89 -7.535 27.340 -3.762 1.00 21.15 O ATOM 666 CB PHE A 89 -4.351 27.415 -3.482 1.00 24.54 C ATOM 667 CG PHE A 89 -4.777 27.343 -4.920 1.00 32.21 C ATOM 668 CD1 PHE A 89 -5.208 28.479 -5.586 1.00 32.21 C ATOM 669 CD2 PHE A 89 -4.748 26.139 -5.606 1.00 3.32 C ATOM 670 CE1 PHE A 89 -5.601 28.416 -6.910 1.00 12.44 C ATOM 671 CE2 PHE A 89 -5.139 26.071 -6.930 1.00 20.14 C ATOM 672 CZ PHE A 89 -5.567 27.211 -7.582 1.00 34.51 C ATOM 0 H PHE A 89 -4.133 27.068 -1.049 1.00 54.22 H new ATOM 0 HA PHE A 89 -5.760 28.730 -2.529 1.00 44.25 H new ATOM 0 HB2 PHE A 89 -3.612 28.209 -3.370 1.00 24.54 H new ATOM 0 HB3 PHE A 89 -3.859 26.481 -3.210 1.00 24.54 H new ATOM 0 HD1 PHE A 89 -5.237 29.425 -5.065 1.00 32.21 H new ATOM 0 HD2 PHE A 89 -4.416 25.244 -5.100 1.00 3.32 H new ATOM 0 HE1 PHE A 89 -5.934 29.309 -7.418 1.00 12.44 H new ATOM 0 HE2 PHE A 89 -5.110 25.127 -7.454 1.00 20.14 H new ATOM 0 HZ PHE A 89 -5.875 27.159 -8.616 1.00 34.51 H new ATOM 682 N THR A 90 -6.877 25.671 -2.402 1.00 55.51 N ATOM 683 CA THR A 90 -8.005 24.810 -2.734 1.00 71.11 C ATOM 684 C THR A 90 -9.131 24.962 -1.718 1.00 53.41 C ATOM 685 O THR A 90 -9.760 23.982 -1.322 1.00 71.00 O ATOM 686 CB THR A 90 -7.582 23.330 -2.796 1.00 52.15 C ATOM 687 OG1 THR A 90 -7.450 22.802 -1.472 1.00 44.20 O ATOM 688 CG2 THR A 90 -6.266 23.174 -3.544 1.00 55.40 C ATOM 0 H THR A 90 -6.225 25.271 -1.727 1.00 55.51 H new ATOM 0 HA THR A 90 -8.361 25.121 -3.716 1.00 71.11 H new ATOM 0 HB THR A 90 -8.354 22.777 -3.331 1.00 52.15 H new ATOM 0 HG1 THR A 90 -6.976 23.448 -0.908 1.00 44.20 H new ATOM 0 HG21 THR A 90 -5.988 22.121 -3.575 1.00 55.40 H new ATOM 0 HG22 THR A 90 -6.379 23.549 -4.561 1.00 55.40 H new ATOM 0 HG23 THR A 90 -5.487 23.740 -3.033 1.00 55.40 H new ATOM 696 N GLY A 91 -9.382 26.200 -1.300 1.00 24.51 N ATOM 697 CA GLY A 91 -10.433 26.457 -0.334 1.00 12.44 C ATOM 698 C GLY A 91 -11.697 26.988 -0.980 1.00 52.31 C ATOM 699 O GLY A 91 -12.487 27.681 -0.338 1.00 32.50 O ATOM 0 H GLY A 91 -8.876 27.028 -1.614 1.00 24.51 H new ATOM 0 HA2 GLY A 91 -10.662 25.536 0.203 1.00 12.44 H new ATOM 0 HA3 GLY A 91 -10.076 27.176 0.404 1.00 12.44 H new ATOM 703 N ARG A 92 -11.889 26.665 -2.255 1.00 3.11 N ATOM 704 CA ARG A 92 -13.064 27.117 -2.989 1.00 73.33 C ATOM 705 C ARG A 92 -13.173 26.403 -4.334 1.00 21.04 C ATOM 706 O ARG A 92 -12.180 25.906 -4.866 1.00 13.30 O ATOM 707 CB ARG A 92 -13.006 28.630 -3.206 1.00 71.15 C ATOM 708 CG ARG A 92 -11.826 29.079 -4.053 1.00 30.22 C ATOM 709 CD ARG A 92 -12.148 30.345 -4.831 1.00 73.21 C ATOM 710 NE ARG A 92 -13.122 30.102 -5.892 1.00 63.05 N ATOM 711 CZ ARG A 92 -13.729 31.071 -6.569 1.00 23.13 C ATOM 712 NH1 ARG A 92 -13.463 32.341 -6.296 1.00 35.12 N ATOM 713 NH2 ARG A 92 -14.603 30.770 -7.521 1.00 2.13 N ATOM 0 H ARG A 92 -11.246 26.092 -2.801 1.00 3.11 H new ATOM 0 HA ARG A 92 -13.946 26.876 -2.396 1.00 73.33 H new ATOM 0 HB2 ARG A 92 -13.930 28.956 -3.684 1.00 71.15 H new ATOM 0 HB3 ARG A 92 -12.956 29.126 -2.237 1.00 71.15 H new ATOM 0 HG2 ARG A 92 -10.962 29.255 -3.412 1.00 30.22 H new ATOM 0 HG3 ARG A 92 -11.551 28.284 -4.747 1.00 30.22 H new ATOM 0 HD2 ARG A 92 -12.536 31.101 -4.149 1.00 73.21 H new ATOM 0 HD3 ARG A 92 -11.232 30.747 -5.265 1.00 73.21 H new ATOM 0 HE ARG A 92 -13.349 29.135 -6.126 1.00 63.05 H new ATOM 0 HH11 ARG A 92 -12.791 32.576 -5.565 1.00 35.12 H new ATOM 0 HH12 ARG A 92 -13.930 33.083 -6.817 1.00 35.12 H new ATOM 0 HH21 ARG A 92 -14.809 29.794 -7.734 1.00 2.13 H new ATOM 0 HH22 ARG A 92 -15.068 31.515 -8.040 1.00 2.13 H new ATOM 727 N SER A 93 -14.385 26.356 -4.877 1.00 32.35 N ATOM 728 CA SER A 93 -14.625 25.699 -6.156 1.00 44.13 C ATOM 729 C SER A 93 -16.070 25.893 -6.604 1.00 40.15 C ATOM 730 O SER A 93 -16.909 26.374 -5.843 1.00 55.43 O ATOM 731 CB SER A 93 -14.306 24.206 -6.055 1.00 52.10 C ATOM 732 OG SER A 93 -13.993 23.664 -7.326 1.00 73.04 O ATOM 0 H SER A 93 -15.216 26.765 -4.451 1.00 32.35 H new ATOM 0 HA SER A 93 -13.969 26.154 -6.898 1.00 44.13 H new ATOM 0 HB2 SER A 93 -13.467 24.055 -5.375 1.00 52.10 H new ATOM 0 HB3 SER A 93 -15.159 23.677 -5.631 1.00 52.10 H new ATOM 0 HG SER A 93 -13.791 22.709 -7.234 1.00 73.04 H new ATOM 738 N LYS A 94 -16.354 25.515 -7.846 1.00 65.23 N ATOM 739 CA LYS A 94 -17.697 25.645 -8.398 1.00 63.24 C ATOM 740 C LYS A 94 -18.595 24.510 -7.917 1.00 11.01 C ATOM 741 O LYS A 94 -19.819 24.640 -7.896 1.00 14.03 O ATOM 742 CB LYS A 94 -17.643 25.653 -9.928 1.00 11.22 C ATOM 743 CG LYS A 94 -17.061 24.383 -10.523 1.00 25.01 C ATOM 744 CD LYS A 94 -16.405 24.647 -11.868 1.00 3.21 C ATOM 745 CE LYS A 94 -17.406 24.537 -13.008 1.00 20.45 C ATOM 746 NZ LYS A 94 -17.737 23.119 -13.320 1.00 24.42 N ATOM 0 H LYS A 94 -15.671 25.116 -8.490 1.00 65.23 H new ATOM 0 HA LYS A 94 -18.116 26.589 -8.050 1.00 63.24 H new ATOM 0 HB2 LYS A 94 -18.650 25.798 -10.318 1.00 11.22 H new ATOM 0 HB3 LYS A 94 -17.048 26.505 -10.258 1.00 11.22 H new ATOM 0 HG2 LYS A 94 -16.327 23.961 -9.836 1.00 25.01 H new ATOM 0 HG3 LYS A 94 -17.850 23.641 -10.642 1.00 25.01 H new ATOM 0 HD2 LYS A 94 -15.960 25.642 -11.868 1.00 3.21 H new ATOM 0 HD3 LYS A 94 -15.594 23.935 -12.024 1.00 3.21 H new ATOM 0 HE2 LYS A 94 -18.318 25.073 -12.744 1.00 20.45 H new ATOM 0 HE3 LYS A 94 -16.999 25.019 -13.897 1.00 20.45 H new ATOM 0 HZ1 LYS A 94 -18.270 23.075 -14.212 1.00 24.42 H new ATOM 0 HZ2 LYS A 94 -16.859 22.570 -13.414 1.00 24.42 H new ATOM 0 HZ3 LYS A 94 -18.314 22.720 -12.552 1.00 24.42 H new ATOM 760 N CYS A 95 -17.980 23.398 -7.529 1.00 64.14 N ATOM 761 CA CYS A 95 -18.723 22.240 -7.047 1.00 2.31 C ATOM 762 C CYS A 95 -19.026 22.371 -5.557 1.00 50.00 C ATOM 763 O CYS A 95 -18.303 21.836 -4.717 1.00 4.34 O ATOM 764 CB CYS A 95 -17.933 20.956 -7.307 1.00 41.20 C ATOM 765 SG CYS A 95 -18.969 19.468 -7.482 1.00 13.22 S ATOM 0 H CYS A 95 -16.968 23.274 -7.539 1.00 64.14 H new ATOM 0 HA CYS A 95 -19.667 22.193 -7.590 1.00 2.31 H new ATOM 0 HB2 CYS A 95 -17.342 21.083 -8.214 1.00 41.20 H new ATOM 0 HB3 CYS A 95 -17.230 20.802 -6.488 1.00 41.20 H new ATOM 770 N ARG A 96 -20.100 23.085 -5.238 1.00 13.40 N ATOM 771 CA ARG A 96 -20.499 23.287 -3.850 1.00 50.42 C ATOM 772 C ARG A 96 -21.881 22.696 -3.590 1.00 54.02 C ATOM 773 O ARG A 96 -22.864 23.425 -3.453 1.00 4.24 O ATOM 774 CB ARG A 96 -20.498 24.779 -3.509 1.00 20.41 C ATOM 775 CG ARG A 96 -20.831 25.071 -2.055 1.00 74.20 C ATOM 776 CD ARG A 96 -19.709 24.633 -1.127 1.00 61.22 C ATOM 777 NE ARG A 96 -18.731 25.696 -0.911 1.00 15.13 N ATOM 778 CZ ARG A 96 -17.898 25.729 0.123 1.00 31.12 C ATOM 779 NH1 ARG A 96 -17.923 24.762 1.030 1.00 13.11 N ATOM 780 NH2 ARG A 96 -17.037 26.730 0.251 1.00 2.12 N ATOM 0 H ARG A 96 -20.710 23.533 -5.922 1.00 13.40 H new ATOM 0 HA ARG A 96 -19.778 22.775 -3.213 1.00 50.42 H new ATOM 0 HB2 ARG A 96 -19.517 25.195 -3.739 1.00 20.41 H new ATOM 0 HB3 ARG A 96 -21.219 25.290 -4.148 1.00 20.41 H new ATOM 0 HG2 ARG A 96 -21.012 26.138 -1.930 1.00 74.20 H new ATOM 0 HG3 ARG A 96 -21.752 24.557 -1.781 1.00 74.20 H new ATOM 0 HD2 ARG A 96 -20.130 24.327 -0.169 1.00 61.22 H new ATOM 0 HD3 ARG A 96 -19.209 23.761 -1.549 1.00 61.22 H new ATOM 0 HE ARG A 96 -18.685 26.455 -1.591 1.00 15.13 H new ATOM 0 HH11 ARG A 96 -18.583 23.990 0.935 1.00 13.11 H new ATOM 0 HH12 ARG A 96 -17.282 24.790 1.823 1.00 13.11 H new ATOM 0 HH21 ARG A 96 -17.014 27.475 -0.445 1.00 2.12 H new ATOM 0 HH22 ARG A 96 -16.398 26.754 1.045 1.00 2.12 H new ATOM 794 N SER A 97 -21.950 21.370 -3.525 1.00 5.23 N ATOM 795 CA SER A 97 -23.212 20.681 -3.286 1.00 21.53 C ATOM 796 C SER A 97 -24.282 21.150 -4.267 1.00 2.13 C ATOM 797 O SER A 97 -25.366 21.575 -3.865 1.00 1.01 O ATOM 798 CB SER A 97 -23.682 20.916 -1.849 1.00 52.41 C ATOM 799 OG SER A 97 -24.454 19.825 -1.380 1.00 34.15 O ATOM 0 H SER A 97 -21.146 20.752 -3.635 1.00 5.23 H new ATOM 0 HA SER A 97 -23.049 19.614 -3.437 1.00 21.53 H new ATOM 0 HB2 SER A 97 -22.818 21.060 -1.200 1.00 52.41 H new ATOM 0 HB3 SER A 97 -24.273 21.831 -1.801 1.00 52.41 H new ATOM 0 HG SER A 97 -24.606 19.922 -0.417 1.00 34.15 H new ATOM 805 N LEU A 98 -23.969 21.071 -5.555 1.00 74.34 N ATOM 806 CA LEU A 98 -24.903 21.487 -6.596 1.00 40.21 C ATOM 807 C LEU A 98 -26.198 20.685 -6.518 1.00 52.35 C ATOM 808 O LEU A 98 -27.276 21.196 -6.821 1.00 3.34 O ATOM 809 CB LEU A 98 -24.267 21.318 -7.977 1.00 21.11 C ATOM 810 CG LEU A 98 -22.890 21.956 -8.165 1.00 13.53 C ATOM 811 CD1 LEU A 98 -21.863 20.905 -8.555 1.00 50.31 C ATOM 812 CD2 LEU A 98 -22.952 23.059 -9.212 1.00 12.14 C ATOM 0 H LEU A 98 -23.076 20.723 -5.904 1.00 74.34 H new ATOM 0 HA LEU A 98 -25.139 22.539 -6.438 1.00 40.21 H new ATOM 0 HB2 LEU A 98 -24.183 20.252 -8.188 1.00 21.11 H new ATOM 0 HB3 LEU A 98 -24.944 21.738 -8.721 1.00 21.11 H new ATOM 0 HG LEU A 98 -22.583 22.399 -7.217 1.00 13.53 H new ATOM 0 HD11 LEU A 98 -20.890 21.378 -8.684 1.00 50.31 H new ATOM 0 HD12 LEU A 98 -21.799 20.151 -7.771 1.00 50.31 H new ATOM 0 HD13 LEU A 98 -22.164 20.432 -9.490 1.00 50.31 H new ATOM 0 HD21 LEU A 98 -21.963 23.502 -9.333 1.00 12.14 H new ATOM 0 HD22 LEU A 98 -23.281 22.640 -10.163 1.00 12.14 H new ATOM 0 HD23 LEU A 98 -23.657 23.826 -8.891 1.00 12.14 H new ATOM 824 N GLY A 99 -26.085 19.425 -6.109 1.00 3.31 N ATOM 825 CA GLY A 99 -27.254 18.574 -5.997 1.00 33.44 C ATOM 826 C GLY A 99 -28.247 19.084 -4.971 1.00 41.10 C ATOM 827 O GLY A 99 -29.435 18.769 -5.037 1.00 53.44 O ATOM 0 H GLY A 99 -25.204 18.979 -5.853 1.00 3.31 H new ATOM 0 HA2 GLY A 99 -27.743 18.505 -6.968 1.00 33.44 H new ATOM 0 HA3 GLY A 99 -26.941 17.566 -5.725 1.00 33.44 H new ATOM 831 N ARG A 100 -27.759 19.873 -4.019 1.00 60.31 N ATOM 832 CA ARG A 100 -28.611 20.425 -2.973 1.00 54.12 C ATOM 833 C ARG A 100 -29.320 21.686 -3.459 1.00 40.20 C ATOM 834 O ARG A 100 -28.840 22.800 -3.247 1.00 42.25 O ATOM 835 CB ARG A 100 -27.785 20.740 -1.725 1.00 44.44 C ATOM 836 CG ARG A 100 -27.568 19.540 -0.819 1.00 65.41 C ATOM 837 CD ARG A 100 -28.844 19.157 -0.086 1.00 62.01 C ATOM 838 NE ARG A 100 -28.571 18.367 1.111 1.00 32.43 N ATOM 839 CZ ARG A 100 -29.429 18.237 2.117 1.00 2.35 C ATOM 840 NH1 ARG A 100 -30.607 18.843 2.070 1.00 34.42 N ATOM 841 NH2 ARG A 100 -29.108 17.501 3.174 1.00 72.34 N ATOM 0 H ARG A 100 -26.778 20.144 -3.951 1.00 60.31 H new ATOM 0 HA ARG A 100 -29.365 19.679 -2.722 1.00 54.12 H new ATOM 0 HB2 ARG A 100 -26.816 21.133 -2.031 1.00 44.44 H new ATOM 0 HB3 ARG A 100 -28.284 21.527 -1.159 1.00 44.44 H new ATOM 0 HG2 ARG A 100 -27.220 18.694 -1.411 1.00 65.41 H new ATOM 0 HG3 ARG A 100 -26.785 19.766 -0.095 1.00 65.41 H new ATOM 0 HD2 ARG A 100 -29.387 20.060 0.192 1.00 62.01 H new ATOM 0 HD3 ARG A 100 -29.490 18.589 -0.755 1.00 62.01 H new ATOM 0 HE ARG A 100 -27.673 17.889 1.179 1.00 32.43 H new ATOM 0 HH11 ARG A 100 -30.857 19.411 1.260 1.00 34.42 H new ATOM 0 HH12 ARG A 100 -31.264 18.742 2.844 1.00 34.42 H new ATOM 0 HH21 ARG A 100 -28.202 17.035 3.214 1.00 72.34 H new ATOM 0 HH22 ARG A 100 -29.768 17.402 3.946 1.00 72.34 H new ATOM 855 N ILE A 101 -30.463 21.502 -4.111 1.00 11.41 N ATOM 856 CA ILE A 101 -31.237 22.625 -4.626 1.00 33.12 C ATOM 857 C ILE A 101 -32.626 22.670 -3.997 1.00 22.41 C ATOM 858 O ILE A 101 -33.536 21.958 -4.423 1.00 22.14 O ATOM 859 CB ILE A 101 -31.382 22.554 -6.157 1.00 61.45 C ATOM 860 CG1 ILE A 101 -30.010 22.388 -6.814 1.00 23.11 C ATOM 861 CG2 ILE A 101 -32.079 23.800 -6.682 1.00 71.22 C ATOM 862 CD1 ILE A 101 -30.069 22.291 -8.322 1.00 52.43 C ATOM 0 H ILE A 101 -30.873 20.587 -4.295 1.00 11.41 H new ATOM 0 HA ILE A 101 -30.691 23.531 -4.362 1.00 33.12 H new ATOM 0 HB ILE A 101 -31.992 21.687 -6.409 1.00 61.45 H new ATOM 0 HG12 ILE A 101 -29.379 23.233 -6.537 1.00 23.11 H new ATOM 0 HG13 ILE A 101 -29.533 21.491 -6.419 1.00 23.11 H new ATOM 0 HG21 ILE A 101 -32.174 23.734 -7.766 1.00 71.22 H new ATOM 0 HG22 ILE A 101 -33.070 23.878 -6.235 1.00 71.22 H new ATOM 0 HG23 ILE A 101 -31.493 24.682 -6.422 1.00 71.22 H new ATOM 0 HD11 ILE A 101 -29.060 22.175 -8.719 1.00 52.43 H new ATOM 0 HD12 ILE A 101 -30.673 21.430 -8.608 1.00 52.43 H new ATOM 0 HD13 ILE A 101 -30.516 23.198 -8.728 1.00 52.43 H new ATOM 874 N LYS A 102 -32.782 23.512 -2.982 1.00 15.24 N ATOM 875 CA LYS A 102 -34.061 23.654 -2.294 1.00 63.24 C ATOM 876 C LYS A 102 -34.758 24.947 -2.704 1.00 12.01 C ATOM 877 O LYS A 102 -35.052 25.798 -1.864 1.00 44.30 O ATOM 878 CB LYS A 102 -33.853 23.632 -0.778 1.00 73.44 C ATOM 879 CG LYS A 102 -35.148 23.542 0.011 1.00 4.34 C ATOM 880 CD LYS A 102 -34.890 23.186 1.466 1.00 60.02 C ATOM 881 CE LYS A 102 -36.060 23.584 2.353 1.00 62.12 C ATOM 882 NZ LYS A 102 -36.140 25.060 2.536 1.00 74.43 N ATOM 0 H LYS A 102 -32.039 24.107 -2.617 1.00 15.24 H new ATOM 0 HA LYS A 102 -34.695 22.814 -2.580 1.00 63.24 H new ATOM 0 HB2 LYS A 102 -33.219 22.784 -0.519 1.00 73.44 H new ATOM 0 HB3 LYS A 102 -33.317 24.533 -0.480 1.00 73.44 H new ATOM 0 HG2 LYS A 102 -35.676 24.494 -0.044 1.00 4.34 H new ATOM 0 HG3 LYS A 102 -35.798 22.791 -0.439 1.00 4.34 H new ATOM 0 HD2 LYS A 102 -34.714 22.114 1.554 1.00 60.02 H new ATOM 0 HD3 LYS A 102 -33.985 23.687 1.809 1.00 60.02 H new ATOM 0 HE2 LYS A 102 -36.989 23.222 1.913 1.00 62.12 H new ATOM 0 HE3 LYS A 102 -35.959 23.102 3.326 1.00 62.12 H new ATOM 0 HZ1 LYS A 102 -36.774 25.277 3.331 1.00 74.43 H new ATOM 0 HZ2 LYS A 102 -35.192 25.437 2.736 1.00 74.43 H new ATOM 0 HZ3 LYS A 102 -36.511 25.498 1.669 1.00 74.43 H new TER 896 LYS A 102