USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN : amide:sc= -0.192 X(o=-1.5,f=-1.2) USER MOD Set 1.2: A 83 GLN : amide:sc= -1.26 K(o=-1.5,f=-3.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.421) USER MOD Single : A 20 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-3.4!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.108 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.576 K(o=-0.58,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0399 K(o=-0.04,f=-0.55) USER MOD Single : A 46 GLN : amide:sc= -0.99 K(o=-0.99,f=-0.13) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.734 USER MOD Single : A 55 HIS : no HD1:sc= -4.22 K(o=-4.2,f=-3.6) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.776 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-0.31) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.35 K(o=-0.35,f=-2.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.435 -1.083 3.448 1.00 0.00 N ATOM 2 CA PRO A 9 -16.296 -0.560 2.060 1.00 0.00 C ATOM 3 C PRO A 9 -14.870 -0.726 1.528 1.00 0.00 C ATOM 4 O PRO A 9 -13.967 0.028 1.897 1.00 0.00 O ATOM 5 CB PRO A 9 -16.690 0.915 2.082 1.00 0.00 C ATOM 6 CG PRO A 9 -16.862 1.229 3.530 1.00 0.00 C ATOM 7 CD PRO A 9 -17.189 -0.076 4.215 1.00 0.00 C ATOM 0 HA PRO A 9 -16.944 -1.126 1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.920 1.539 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.611 1.089 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.953 1.667 3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.661 1.955 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.886 -0.063 5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.260 -0.279 4.195 1.00 0.00 H new ATOM 17 N ILE A 10 -14.678 -1.719 0.660 1.00 0.00 N ATOM 18 CA ILE A 10 -13.366 -1.988 0.075 1.00 0.00 C ATOM 19 C ILE A 10 -13.228 -1.327 -1.295 1.00 0.00 C ATOM 20 O ILE A 10 -14.176 -1.308 -2.084 1.00 0.00 O ATOM 21 CB ILE A 10 -13.106 -3.506 -0.068 1.00 0.00 C ATOM 22 CG1 ILE A 10 -13.224 -4.199 1.291 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.731 -3.760 -0.675 1.00 0.00 C ATOM 24 CD1 ILE A 10 -13.301 -5.708 1.196 1.00 0.00 C ATOM 0 H ILE A 10 -15.415 -2.350 0.347 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.627 -1.566 0.756 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.860 -3.921 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.366 -3.925 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.113 -3.829 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.567 -4.834 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.678 -3.298 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.964 -3.330 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.383 -6.132 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.175 -5.992 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.401 -6.089 0.714 1.00 0.00 H new ATOM 36 N ARG A 11 -12.040 -0.792 -1.570 1.00 0.00 N ATOM 37 CA ARG A 11 -11.769 -0.133 -2.845 1.00 0.00 C ATOM 38 C ARG A 11 -10.587 -0.786 -3.558 1.00 0.00 C ATOM 39 O ARG A 11 -9.495 -0.896 -2.995 1.00 0.00 O ATOM 40 CB ARG A 11 -11.492 1.358 -2.630 1.00 0.00 C ATOM 41 CG ARG A 11 -11.949 2.234 -3.786 1.00 0.00 C ATOM 42 CD ARG A 11 -12.755 3.427 -3.299 1.00 0.00 C ATOM 43 NE ARG A 11 -13.614 3.976 -4.349 1.00 0.00 N ATOM 44 CZ ARG A 11 -13.182 4.776 -5.331 1.00 0.00 C ATOM 45 NH1 ARG A 11 -11.896 5.117 -5.411 1.00 0.00 N ATOM 46 NH2 ARG A 11 -14.041 5.233 -6.238 1.00 0.00 N ATOM 0 H ARG A 11 -11.249 -0.802 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.653 -0.242 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.992 1.684 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.423 1.502 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.080 2.584 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.553 1.643 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.368 3.127 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.076 4.202 -2.944 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.605 3.734 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.232 4.768 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.576 5.727 -6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.026 4.974 -6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.715 5.843 -6.988 1.00 0.00 H new ATOM 60 N LYS A 12 -10.813 -1.214 -4.800 1.00 0.00 N ATOM 61 CA LYS A 12 -9.770 -1.853 -5.598 1.00 0.00 C ATOM 62 C LYS A 12 -9.109 -0.836 -6.526 1.00 0.00 C ATOM 63 O LYS A 12 -9.737 -0.342 -7.465 1.00 0.00 O ATOM 64 CB LYS A 12 -10.354 -3.009 -6.418 1.00 0.00 C ATOM 65 CG LYS A 12 -10.572 -4.284 -5.617 1.00 0.00 C ATOM 66 CD LYS A 12 -11.722 -4.139 -4.631 1.00 0.00 C ATOM 67 CE LYS A 12 -12.542 -5.417 -4.533 1.00 0.00 C ATOM 68 NZ LYS A 12 -13.750 -5.380 -5.408 1.00 0.00 N ATOM 0 H LYS A 12 -11.712 -1.129 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.016 -2.251 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.305 -2.693 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.685 -3.225 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.778 -5.110 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.659 -4.535 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.328 -3.883 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.366 -3.316 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.920 -6.268 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.849 -5.571 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.278 -6.271 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.358 -4.584 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.457 -5.259 -6.399 1.00 0.00 H new ATOM 82 N VAL A 13 -7.843 -0.522 -6.253 1.00 0.00 N ATOM 83 CA VAL A 13 -7.097 0.443 -7.058 1.00 0.00 C ATOM 84 C VAL A 13 -5.721 -0.107 -7.435 1.00 0.00 C ATOM 85 O VAL A 13 -5.039 -0.715 -6.610 1.00 0.00 O ATOM 86 CB VAL A 13 -6.921 1.784 -6.308 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.326 2.846 -7.223 1.00 0.00 C ATOM 88 CG2 VAL A 13 -8.249 2.260 -5.732 1.00 0.00 C ATOM 0 H VAL A 13 -7.313 -0.923 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.675 0.619 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.228 1.618 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.212 3.779 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.351 2.514 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.988 3.006 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.101 3.205 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.966 2.401 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.631 1.515 -5.034 1.00 0.00 H new ATOM 98 N LEU A 14 -5.317 0.114 -8.686 1.00 0.00 N ATOM 99 CA LEU A 14 -4.020 -0.358 -9.168 1.00 0.00 C ATOM 100 C LEU A 14 -2.977 0.757 -9.119 1.00 0.00 C ATOM 101 O LEU A 14 -3.279 1.917 -9.406 1.00 0.00 O ATOM 102 CB LEU A 14 -4.143 -0.905 -10.595 1.00 0.00 C ATOM 103 CG LEU A 14 -4.585 0.110 -11.655 1.00 0.00 C ATOM 104 CD1 LEU A 14 -3.793 -0.078 -12.940 1.00 0.00 C ATOM 105 CD2 LEU A 14 -6.080 -0.014 -11.922 1.00 0.00 C ATOM 0 H LEU A 14 -5.868 0.616 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.691 -1.163 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.179 -1.317 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.854 -1.731 -10.589 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.386 1.112 -11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.122 0.652 -13.680 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.731 0.064 -12.737 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.958 -1.084 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.376 0.714 -12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.304 -1.019 -12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.631 0.174 -11.001 1.00 0.00 H new ATOM 117 N LEU A 15 -1.749 0.394 -8.753 1.00 0.00 N ATOM 118 CA LEU A 15 -0.655 1.355 -8.665 1.00 0.00 C ATOM 119 C LEU A 15 0.499 0.955 -9.582 1.00 0.00 C ATOM 120 O LEU A 15 0.842 -0.224 -9.685 1.00 0.00 O ATOM 121 CB LEU A 15 -0.159 1.465 -7.220 1.00 0.00 C ATOM 122 CG LEU A 15 0.578 2.764 -6.883 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.365 3.759 -6.222 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.776 2.481 -5.987 1.00 0.00 C ATOM 0 H LEU A 15 -1.488 -0.562 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.032 2.325 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.013 1.366 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.505 0.625 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 15 0.941 3.204 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.177 4.676 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.188 3.986 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.761 3.329 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.288 3.416 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.436 2.017 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.463 1.808 -6.500 1.00 0.00 H new ATOM 136 N LEU A 16 1.095 1.946 -10.242 1.00 0.00 N ATOM 137 CA LEU A 16 2.214 1.703 -11.147 1.00 0.00 C ATOM 138 C LEU A 16 3.523 2.199 -10.537 1.00 0.00 C ATOM 139 O LEU A 16 3.624 3.355 -10.120 1.00 0.00 O ATOM 140 CB LEU A 16 1.970 2.394 -12.492 1.00 0.00 C ATOM 141 CG LEU A 16 2.877 1.928 -13.635 1.00 0.00 C ATOM 142 CD1 LEU A 16 2.128 1.961 -14.960 1.00 0.00 C ATOM 143 CD2 LEU A 16 4.132 2.786 -13.706 1.00 0.00 C ATOM 0 H LEU A 16 0.821 2.925 -10.166 1.00 0.00 H new ATOM 0 HA LEU A 16 2.292 0.628 -11.308 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.932 2.232 -12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.100 3.468 -12.360 1.00 0.00 H new ATOM 0 HG LEU A 16 3.177 0.899 -13.437 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.789 1.627 -15.760 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.262 1.301 -14.905 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.796 2.979 -15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.764 2.440 -14.524 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.853 3.825 -13.878 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.680 2.708 -12.767 1.00 0.00 H new ATOM 155 N LYS A 17 4.523 1.318 -10.490 1.00 0.00 N ATOM 156 CA LYS A 17 5.829 1.663 -9.935 1.00 0.00 C ATOM 157 C LYS A 17 6.912 1.591 -11.008 1.00 0.00 C ATOM 158 O LYS A 17 7.062 0.571 -11.683 1.00 0.00 O ATOM 159 CB LYS A 17 6.176 0.725 -8.776 1.00 0.00 C ATOM 160 CG LYS A 17 7.311 1.231 -7.898 1.00 0.00 C ATOM 161 CD LYS A 17 8.218 0.096 -7.448 1.00 0.00 C ATOM 162 CE LYS A 17 8.582 0.215 -5.975 1.00 0.00 C ATOM 163 NZ LYS A 17 9.615 1.263 -5.734 1.00 0.00 N ATOM 0 H LYS A 17 4.452 0.359 -10.831 1.00 0.00 H new ATOM 0 HA LYS A 17 5.781 2.686 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.289 0.580 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.447 -0.251 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.896 1.969 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.899 1.737 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.721 -0.858 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.128 0.097 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.687 0.450 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.950 -0.746 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.330 0.900 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.073 1.513 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.164 2.108 -5.329 1.00 0.00 H new ATOM 177 N GLU A 18 7.664 2.679 -11.155 1.00 0.00 N ATOM 178 CA GLU A 18 8.739 2.749 -12.141 1.00 0.00 C ATOM 179 C GLU A 18 10.103 2.717 -11.455 1.00 0.00 C ATOM 180 O GLU A 18 10.224 3.088 -10.286 1.00 0.00 O ATOM 181 CB GLU A 18 8.612 4.026 -12.979 1.00 0.00 C ATOM 182 CG GLU A 18 7.194 4.318 -13.447 1.00 0.00 C ATOM 183 CD GLU A 18 7.103 4.510 -14.948 1.00 0.00 C ATOM 184 OE1 GLU A 18 7.437 5.615 -15.426 1.00 0.00 O ATOM 185 OE2 GLU A 18 6.699 3.556 -15.645 1.00 0.00 O ATOM 0 H GLU A 18 7.548 3.528 -10.601 1.00 0.00 H new ATOM 0 HA GLU A 18 8.655 1.882 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.972 4.871 -12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.262 3.943 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.541 3.498 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.828 5.215 -12.947 1.00 0.00 H new ATOM 192 N ASP A 19 11.128 2.277 -12.187 1.00 0.00 N ATOM 193 CA ASP A 19 12.487 2.204 -11.643 1.00 0.00 C ATOM 194 C ASP A 19 12.956 3.570 -11.143 1.00 0.00 C ATOM 195 O ASP A 19 13.619 3.666 -10.108 1.00 0.00 O ATOM 196 CB ASP A 19 13.460 1.684 -12.704 1.00 0.00 C ATOM 197 CG ASP A 19 13.645 0.181 -12.634 1.00 0.00 C ATOM 198 OD1 ASP A 19 14.479 -0.276 -11.825 1.00 0.00 O ATOM 199 OD2 ASP A 19 12.957 -0.537 -13.388 1.00 0.00 O ATOM 0 H ASP A 19 11.045 1.967 -13.155 1.00 0.00 H new ATOM 0 HA ASP A 19 12.469 1.513 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.093 1.956 -13.694 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.426 2.172 -12.577 1.00 0.00 H new ATOM 204 N HIS A 20 12.605 4.624 -11.881 1.00 0.00 N ATOM 205 CA HIS A 20 12.988 5.985 -11.510 1.00 0.00 C ATOM 206 C HIS A 20 12.084 6.539 -10.403 1.00 0.00 C ATOM 207 O HIS A 20 12.506 7.395 -9.625 1.00 0.00 O ATOM 208 CB HIS A 20 12.949 6.911 -12.736 1.00 0.00 C ATOM 209 CG HIS A 20 11.570 7.164 -13.278 1.00 0.00 C ATOM 210 ND1 HIS A 20 10.951 8.395 -13.215 1.00 0.00 N ATOM 211 CD2 HIS A 20 10.692 6.338 -13.899 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.755 8.315 -13.771 1.00 0.00 C ATOM 213 NE2 HIS A 20 9.574 7.078 -14.194 1.00 0.00 N ATOM 0 H HIS A 20 12.056 4.560 -12.739 1.00 0.00 H new ATOM 0 HA HIS A 20 14.008 5.947 -11.127 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.403 7.866 -12.470 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.562 6.476 -13.525 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.844 5.292 -14.120 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.046 9.124 -13.864 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.739 6.728 -14.664 1.00 0.00 H new ATOM 222 N GLU A 21 10.841 6.051 -10.342 1.00 0.00 N ATOM 223 CA GLU A 21 9.881 6.506 -9.337 1.00 0.00 C ATOM 224 C GLU A 21 9.863 5.579 -8.117 1.00 0.00 C ATOM 225 O GLU A 21 10.623 4.611 -8.050 1.00 0.00 O ATOM 226 CB GLU A 21 8.481 6.595 -9.952 1.00 0.00 C ATOM 227 CG GLU A 21 8.225 7.904 -10.685 1.00 0.00 C ATOM 228 CD GLU A 21 6.946 7.890 -11.505 1.00 0.00 C ATOM 229 OE1 GLU A 21 5.966 7.245 -11.075 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.925 8.529 -12.576 1.00 0.00 O ATOM 0 H GLU A 21 10.478 5.341 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 21 10.191 7.495 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.344 5.766 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.738 6.477 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.175 8.716 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.068 8.116 -11.342 1.00 0.00 H new ATOM 237 N GLY A 22 8.991 5.888 -7.151 1.00 0.00 N ATOM 238 CA GLY A 22 8.892 5.078 -5.945 1.00 0.00 C ATOM 239 C GLY A 22 7.455 4.847 -5.501 1.00 0.00 C ATOM 240 O GLY A 22 6.543 4.809 -6.329 1.00 0.00 O ATOM 0 H GLY A 22 8.354 6.684 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.372 4.115 -6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.441 5.566 -5.140 1.00 0.00 H new ATOM 244 N LEU A 23 7.256 4.695 -4.189 1.00 0.00 N ATOM 245 CA LEU A 23 5.920 4.469 -3.631 1.00 0.00 C ATOM 246 C LEU A 23 5.055 5.722 -3.770 1.00 0.00 C ATOM 247 O LEU A 23 3.978 5.678 -4.368 1.00 0.00 O ATOM 248 CB LEU A 23 6.013 4.060 -2.153 1.00 0.00 C ATOM 249 CG LEU A 23 5.586 2.622 -1.836 1.00 0.00 C ATOM 250 CD1 LEU A 23 4.124 2.396 -2.201 1.00 0.00 C ATOM 251 CD2 LEU A 23 6.483 1.623 -2.556 1.00 0.00 C ATOM 0 H LEU A 23 8.002 4.724 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 23 5.455 3.659 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.042 4.196 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.396 4.741 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 23 5.694 2.466 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.845 1.369 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.497 3.081 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.983 2.576 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.163 0.609 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.414 1.782 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.515 1.763 -2.234 1.00 0.00 H new ATOM 263 N GLY A 24 5.537 6.838 -3.216 1.00 0.00 N ATOM 264 CA GLY A 24 4.801 8.092 -3.289 1.00 0.00 C ATOM 265 C GLY A 24 4.011 8.405 -2.026 1.00 0.00 C ATOM 266 O GLY A 24 3.561 9.537 -1.843 1.00 0.00 O ATOM 0 H GLY A 24 6.425 6.894 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.501 8.905 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.117 8.054 -4.136 1.00 0.00 H new ATOM 270 N ILE A 25 3.835 7.408 -1.156 1.00 0.00 N ATOM 271 CA ILE A 25 3.090 7.595 0.087 1.00 0.00 C ATOM 272 C ILE A 25 3.756 6.855 1.246 1.00 0.00 C ATOM 273 O ILE A 25 4.456 5.861 1.038 1.00 0.00 O ATOM 274 CB ILE A 25 1.630 7.110 -0.048 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.584 5.660 -0.545 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.853 8.022 -0.986 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.494 4.640 0.569 1.00 0.00 C ATOM 0 H ILE A 25 4.199 6.465 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 25 3.090 8.665 0.294 1.00 0.00 H new ATOM 0 HB ILE A 25 1.163 7.147 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.727 5.539 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.476 5.460 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.174 7.667 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.854 9.038 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.321 8.016 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.465 3.637 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.364 4.733 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.588 4.814 1.149 1.00 0.00 H new ATOM 289 N SER A 26 3.529 7.343 2.465 1.00 0.00 N ATOM 290 CA SER A 26 4.102 6.728 3.659 1.00 0.00 C ATOM 291 C SER A 26 3.046 5.922 4.414 1.00 0.00 C ATOM 292 O SER A 26 1.910 6.375 4.583 1.00 0.00 O ATOM 293 CB SER A 26 4.701 7.797 4.578 1.00 0.00 C ATOM 294 OG SER A 26 5.329 8.825 3.830 1.00 0.00 O ATOM 0 H SER A 26 2.952 8.163 2.650 1.00 0.00 H new ATOM 0 HA SER A 26 4.895 6.050 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.916 8.225 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.426 7.338 5.250 1.00 0.00 H new ATOM 0 HG SER A 26 5.701 9.494 4.442 1.00 0.00 H new ATOM 300 N ILE A 27 3.429 4.728 4.867 1.00 0.00 N ATOM 301 CA ILE A 27 2.515 3.856 5.605 1.00 0.00 C ATOM 302 C ILE A 27 3.037 3.560 7.010 1.00 0.00 C ATOM 303 O ILE A 27 4.248 3.522 7.240 1.00 0.00 O ATOM 304 CB ILE A 27 2.274 2.520 4.864 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.604 1.861 4.481 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.411 2.743 3.628 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.478 0.388 4.156 1.00 0.00 C ATOM 0 H ILE A 27 4.364 4.343 4.736 1.00 0.00 H new ATOM 0 HA ILE A 27 1.570 4.394 5.680 1.00 0.00 H new ATOM 0 HB ILE A 27 1.744 1.847 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.022 2.380 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.311 1.984 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.252 1.792 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.449 3.161 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.914 3.436 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.458 -0.012 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.089 -0.144 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.796 0.258 3.315 1.00 0.00 H new ATOM 319 N THR A 28 2.111 3.348 7.946 1.00 0.00 N ATOM 320 CA THR A 28 2.473 3.055 9.331 1.00 0.00 C ATOM 321 C THR A 28 1.630 1.908 9.893 1.00 0.00 C ATOM 322 O THR A 28 0.461 1.746 9.533 1.00 0.00 O ATOM 323 CB THR A 28 2.316 4.308 10.201 1.00 0.00 C ATOM 324 OG1 THR A 28 2.816 4.080 11.509 1.00 0.00 O ATOM 325 CG2 THR A 28 0.882 4.788 10.330 1.00 0.00 C ATOM 0 H THR A 28 1.107 3.374 7.770 1.00 0.00 H new ATOM 0 HA THR A 28 3.518 2.744 9.346 1.00 0.00 H new ATOM 0 HB THR A 28 2.888 5.081 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.708 4.892 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.851 5.677 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.489 5.029 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.275 4.003 10.781 1.00 0.00 H new ATOM 333 N GLY A 29 2.238 1.117 10.778 1.00 0.00 N ATOM 334 CA GLY A 29 1.543 -0.009 11.385 1.00 0.00 C ATOM 335 C GLY A 29 2.491 -1.126 11.784 1.00 0.00 C ATOM 336 O GLY A 29 3.677 -0.883 12.024 1.00 0.00 O ATOM 0 H GLY A 29 3.203 1.237 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.999 0.334 12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.803 -0.397 10.685 1.00 0.00 H new ATOM 340 N GLY A 30 1.975 -2.356 11.852 1.00 0.00 N ATOM 341 CA GLY A 30 2.807 -3.491 12.221 1.00 0.00 C ATOM 342 C GLY A 30 2.005 -4.679 12.725 1.00 0.00 C ATOM 343 O GLY A 30 1.329 -4.587 13.752 1.00 0.00 O ATOM 0 H GLY A 30 1.000 -2.584 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.396 -3.798 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.511 -3.182 12.993 1.00 0.00 H new ATOM 347 N LYS A 31 2.091 -5.801 12.003 1.00 0.00 N ATOM 348 CA LYS A 31 1.377 -7.025 12.380 1.00 0.00 C ATOM 349 C LYS A 31 1.804 -7.514 13.768 1.00 0.00 C ATOM 350 O LYS A 31 0.991 -8.064 14.512 1.00 0.00 O ATOM 351 CB LYS A 31 1.615 -8.126 11.338 1.00 0.00 C ATOM 352 CG LYS A 31 0.425 -9.054 11.139 1.00 0.00 C ATOM 353 CD LYS A 31 0.079 -9.814 12.412 1.00 0.00 C ATOM 354 CE LYS A 31 -0.771 -11.040 12.118 1.00 0.00 C ATOM 355 NZ LYS A 31 -2.196 -10.835 12.503 1.00 0.00 N ATOM 0 H LYS A 31 2.649 -5.887 11.153 1.00 0.00 H new ATOM 0 HA LYS A 31 0.313 -6.792 12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.865 -7.662 10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.479 -8.718 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.439 -8.473 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.647 -9.763 10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.997 -10.119 12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.456 -9.155 13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.713 -11.276 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.369 -11.898 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.741 -11.694 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.255 -10.635 13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.588 -10.033 11.970 1.00 0.00 H new ATOM 369 N GLU A 32 3.076 -7.305 14.116 1.00 0.00 N ATOM 370 CA GLU A 32 3.594 -7.722 15.420 1.00 0.00 C ATOM 371 C GLU A 32 2.795 -7.092 16.564 1.00 0.00 C ATOM 372 O GLU A 32 2.667 -7.682 17.637 1.00 0.00 O ATOM 373 CB GLU A 32 5.073 -7.352 15.550 1.00 0.00 C ATOM 374 CG GLU A 32 6.002 -8.335 14.852 1.00 0.00 C ATOM 375 CD GLU A 32 7.264 -8.627 15.643 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.165 -8.849 16.870 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.353 -8.640 15.033 1.00 0.00 O ATOM 0 H GLU A 32 3.764 -6.851 13.515 1.00 0.00 H new ATOM 0 HA GLU A 32 3.489 -8.805 15.488 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.229 -6.357 15.134 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.336 -7.301 16.606 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.467 -9.268 14.675 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.277 -7.935 13.876 1.00 0.00 H new ATOM 384 N HIS A 33 2.250 -5.898 16.324 1.00 0.00 N ATOM 385 CA HIS A 33 1.454 -5.199 17.332 1.00 0.00 C ATOM 386 C HIS A 33 0.007 -5.699 17.332 1.00 0.00 C ATOM 387 O HIS A 33 -0.667 -5.668 18.362 1.00 0.00 O ATOM 388 CB HIS A 33 1.471 -3.687 17.084 1.00 0.00 C ATOM 389 CG HIS A 33 2.841 -3.114 16.869 1.00 0.00 C ATOM 390 ND1 HIS A 33 3.486 -2.330 17.804 1.00 0.00 N ATOM 391 CD2 HIS A 33 3.687 -3.207 15.814 1.00 0.00 C ATOM 392 CE1 HIS A 33 4.667 -1.967 17.334 1.00 0.00 C ATOM 393 NE2 HIS A 33 4.812 -2.488 16.130 1.00 0.00 N ATOM 0 H HIS A 33 2.346 -5.396 15.441 1.00 0.00 H new ATOM 0 HA HIS A 33 1.899 -5.407 18.305 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.856 -3.466 16.211 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.009 -3.185 17.934 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.509 -3.747 14.896 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.390 -1.350 17.847 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.629 -2.374 15.531 1.00 0.00 H new ATOM 402 N GLY A 34 -0.464 -6.152 16.168 1.00 0.00 N ATOM 403 CA GLY A 34 -1.827 -6.646 16.050 1.00 0.00 C ATOM 404 C GLY A 34 -2.733 -5.703 15.274 1.00 0.00 C ATOM 405 O GLY A 34 -3.949 -5.704 15.473 1.00 0.00 O ATOM 0 H GLY A 34 0.077 -6.185 15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.814 -7.618 15.556 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.240 -6.800 17.047 1.00 0.00 H new ATOM 409 N VAL A 35 -2.144 -4.899 14.386 1.00 0.00 N ATOM 410 CA VAL A 35 -2.909 -3.952 13.577 1.00 0.00 C ATOM 411 C VAL A 35 -2.311 -3.815 12.177 1.00 0.00 C ATOM 412 O VAL A 35 -1.100 -3.634 12.029 1.00 0.00 O ATOM 413 CB VAL A 35 -2.973 -2.553 14.231 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.838 -2.582 15.482 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.577 -2.040 14.554 1.00 0.00 C ATOM 0 H VAL A 35 -1.139 -4.886 14.210 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.920 -4.354 13.507 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.429 -1.867 13.517 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.869 -1.587 15.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.849 -2.893 15.218 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.417 -3.286 16.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.649 -1.054 15.013 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.088 -2.727 15.244 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.993 -1.971 13.636 1.00 0.00 H new ATOM 425 N PRO A 36 -3.153 -3.894 11.125 1.00 0.00 N ATOM 426 CA PRO A 36 -2.697 -3.771 9.734 1.00 0.00 C ATOM 427 C PRO A 36 -2.054 -2.411 9.460 1.00 0.00 C ATOM 428 O PRO A 36 -2.362 -1.423 10.130 1.00 0.00 O ATOM 429 CB PRO A 36 -3.981 -3.939 8.907 1.00 0.00 C ATOM 430 CG PRO A 36 -4.952 -4.596 9.828 1.00 0.00 C ATOM 431 CD PRO A 36 -4.609 -4.105 11.205 1.00 0.00 C ATOM 0 HA PRO A 36 -1.930 -4.507 9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.356 -2.976 8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.803 -4.549 8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.977 -4.336 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.873 -5.682 9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.138 -3.184 11.449 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.870 -4.835 11.971 1.00 0.00 H new ATOM 439 N ILE A 37 -1.162 -2.368 8.473 1.00 0.00 N ATOM 440 CA ILE A 37 -0.478 -1.130 8.113 1.00 0.00 C ATOM 441 C ILE A 37 -1.356 -0.284 7.193 1.00 0.00 C ATOM 442 O ILE A 37 -1.918 -0.792 6.220 1.00 0.00 O ATOM 443 CB ILE A 37 0.876 -1.407 7.416 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.698 -2.434 8.207 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.664 -0.114 7.249 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.627 -3.835 7.639 1.00 0.00 C ATOM 0 H ILE A 37 -0.897 -3.176 7.909 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.284 -0.587 9.038 1.00 0.00 H new ATOM 0 HB ILE A 37 0.671 -1.821 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.739 -2.113 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.347 -2.451 9.239 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.613 -0.327 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.090 0.586 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.853 0.326 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.232 -4.506 8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.592 -4.176 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.006 -3.833 6.617 1.00 0.00 H new ATOM 458 N LEU A 38 -1.479 1.004 7.512 1.00 0.00 N ATOM 459 CA LEU A 38 -2.299 1.915 6.715 1.00 0.00 C ATOM 460 C LEU A 38 -1.514 3.161 6.297 1.00 0.00 C ATOM 461 O LEU A 38 -0.505 3.510 6.914 1.00 0.00 O ATOM 462 CB LEU A 38 -3.559 2.319 7.494 1.00 0.00 C ATOM 463 CG LEU A 38 -3.313 3.017 8.835 1.00 0.00 C ATOM 464 CD1 LEU A 38 -4.358 4.099 9.072 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.322 2.005 9.973 1.00 0.00 C ATOM 0 H LEU A 38 -1.023 1.439 8.314 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.593 1.387 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.157 2.979 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.155 1.425 7.674 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.331 3.489 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.168 4.585 10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.304 4.838 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.351 3.650 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.146 2.519 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.290 1.504 10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.537 1.267 9.809 1.00 0.00 H new ATOM 477 N ILE A 39 -1.992 3.826 5.244 1.00 0.00 N ATOM 478 CA ILE A 39 -1.351 5.036 4.730 1.00 0.00 C ATOM 479 C ILE A 39 -1.789 6.264 5.522 1.00 0.00 C ATOM 480 O ILE A 39 -2.983 6.488 5.725 1.00 0.00 O ATOM 481 CB ILE A 39 -1.679 5.266 3.235 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.460 3.982 2.426 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.835 6.402 2.672 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.244 3.938 1.132 1.00 0.00 C ATOM 0 H ILE A 39 -2.826 3.544 4.728 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.276 4.891 4.839 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.730 5.544 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.398 3.881 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.739 3.125 3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.079 6.550 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.043 7.318 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.222 6.152 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.039 3.001 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.310 4.006 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.949 4.775 0.499 1.00 0.00 H new ATOM 496 N SER A 40 -0.814 7.055 5.964 1.00 0.00 N ATOM 497 CA SER A 40 -1.090 8.266 6.733 1.00 0.00 C ATOM 498 C SER A 40 -0.557 9.512 6.021 1.00 0.00 C ATOM 499 O SER A 40 -1.219 10.550 6.002 1.00 0.00 O ATOM 500 CB SER A 40 -0.475 8.155 8.129 1.00 0.00 C ATOM 501 OG SER A 40 -1.351 7.484 9.020 1.00 0.00 O ATOM 0 H SER A 40 0.177 6.878 5.802 1.00 0.00 H new ATOM 0 HA SER A 40 -2.172 8.367 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.472 7.618 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.254 9.151 8.513 1.00 0.00 H new ATOM 0 HG SER A 40 -0.935 7.424 9.905 1.00 0.00 H new ATOM 507 N GLU A 41 0.640 9.404 5.441 1.00 0.00 N ATOM 508 CA GLU A 41 1.254 10.525 4.733 1.00 0.00 C ATOM 509 C GLU A 41 1.182 10.325 3.219 1.00 0.00 C ATOM 510 O GLU A 41 1.298 9.200 2.726 1.00 0.00 O ATOM 511 CB GLU A 41 2.712 10.681 5.171 1.00 0.00 C ATOM 512 CG GLU A 41 3.285 12.071 4.943 1.00 0.00 C ATOM 513 CD GLU A 41 4.773 12.135 5.229 1.00 0.00 C ATOM 514 OE1 GLU A 41 5.144 12.290 6.411 1.00 0.00 O ATOM 515 OE2 GLU A 41 5.566 12.022 4.272 1.00 0.00 O ATOM 0 H GLU A 41 1.201 8.552 5.448 1.00 0.00 H new ATOM 0 HA GLU A 41 0.702 11.431 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.790 10.437 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.321 9.956 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.102 12.372 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.764 12.785 5.580 1.00 0.00 H new ATOM 522 N ILE A 42 0.998 11.426 2.488 1.00 0.00 N ATOM 523 CA ILE A 42 0.916 11.384 1.028 1.00 0.00 C ATOM 524 C ILE A 42 1.868 12.407 0.403 1.00 0.00 C ATOM 525 O ILE A 42 1.657 13.615 0.524 1.00 0.00 O ATOM 526 CB ILE A 42 -0.526 11.664 0.532 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.544 10.780 1.267 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.628 11.453 -0.974 1.00 0.00 C ATOM 529 CD1 ILE A 42 -1.452 9.308 0.918 1.00 0.00 C ATOM 0 H ILE A 42 0.903 12.360 2.886 1.00 0.00 H new ATOM 0 HA ILE A 42 1.205 10.379 0.719 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.759 12.706 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.402 10.897 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.549 11.134 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.648 11.655 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.057 12.130 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.366 10.423 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.204 8.753 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.625 9.176 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.460 8.935 1.174 1.00 0.00 H new ATOM 541 N HIS A 43 2.914 11.917 -0.265 1.00 0.00 N ATOM 542 CA HIS A 43 3.894 12.794 -0.908 1.00 0.00 C ATOM 543 C HIS A 43 3.423 13.207 -2.302 1.00 0.00 C ATOM 544 O HIS A 43 3.075 12.355 -3.121 1.00 0.00 O ATOM 545 CB HIS A 43 5.256 12.099 -1.005 1.00 0.00 C ATOM 546 CG HIS A 43 6.105 12.253 0.221 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.407 13.478 0.780 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.724 11.328 0.993 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.175 13.299 1.839 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.382 12.003 1.993 1.00 0.00 N ATOM 0 H HIS A 43 3.104 10.921 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 43 3.995 13.689 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.098 11.037 -1.195 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.797 12.499 -1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.704 10.258 0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.568 14.080 2.473 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.939 11.574 2.732 1.00 0.00 H new ATOM 559 N PRO A 44 3.406 14.529 -2.588 1.00 0.00 N ATOM 560 CA PRO A 44 2.970 15.058 -3.889 1.00 0.00 C ATOM 561 C PRO A 44 3.971 14.786 -5.012 1.00 0.00 C ATOM 562 O PRO A 44 5.159 14.569 -4.763 1.00 0.00 O ATOM 563 CB PRO A 44 2.852 16.563 -3.639 1.00 0.00 C ATOM 564 CG PRO A 44 3.804 16.840 -2.527 1.00 0.00 C ATOM 565 CD PRO A 44 3.805 15.610 -1.661 1.00 0.00 C ATOM 0 HA PRO A 44 2.045 14.586 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.109 17.134 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.834 16.840 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.803 17.046 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.494 17.717 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.789 15.425 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.105 15.704 -0.831 1.00 0.00 H new ATOM 573 N GLY A 45 3.478 14.809 -6.253 1.00 0.00 N ATOM 574 CA GLY A 45 4.331 14.573 -7.408 1.00 0.00 C ATOM 575 C GLY A 45 4.703 13.110 -7.577 1.00 0.00 C ATOM 576 O GLY A 45 5.829 12.792 -7.964 1.00 0.00 O ATOM 0 H GLY A 45 2.499 14.988 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.821 14.920 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.241 15.165 -7.309 1.00 0.00 H new ATOM 580 N GLN A 46 3.754 12.220 -7.287 1.00 0.00 N ATOM 581 CA GLN A 46 3.980 10.781 -7.405 1.00 0.00 C ATOM 582 C GLN A 46 2.716 10.071 -7.889 1.00 0.00 C ATOM 583 O GLN A 46 1.643 10.674 -7.943 1.00 0.00 O ATOM 584 CB GLN A 46 4.420 10.209 -6.054 1.00 0.00 C ATOM 585 CG GLN A 46 5.921 9.984 -5.949 1.00 0.00 C ATOM 586 CD GLN A 46 6.645 11.143 -5.287 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.590 11.698 -5.847 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.208 11.515 -4.088 1.00 0.00 N ATOM 0 H GLN A 46 2.819 12.472 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 46 4.769 10.614 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.106 10.888 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.906 9.263 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.108 9.073 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.331 9.828 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.421 11.028 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.659 12.287 -3.598 1.00 0.00 H new ATOM 597 N PRO A 47 2.824 8.769 -8.239 1.00 0.00 N ATOM 598 CA PRO A 47 1.680 7.975 -8.709 1.00 0.00 C ATOM 599 C PRO A 47 0.475 8.066 -7.773 1.00 0.00 C ATOM 600 O PRO A 47 -0.667 7.983 -8.221 1.00 0.00 O ATOM 601 CB PRO A 47 2.223 6.544 -8.732 1.00 0.00 C ATOM 602 CG PRO A 47 3.689 6.702 -8.920 1.00 0.00 C ATOM 603 CD PRO A 47 4.064 7.968 -8.198 1.00 0.00 C ATOM 0 HA PRO A 47 1.317 8.328 -9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.997 6.019 -7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.780 5.965 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.229 5.847 -8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.942 6.766 -9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.379 7.768 -7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.890 8.481 -8.691 1.00 0.00 H new ATOM 611 N ALA A 48 0.739 8.236 -6.473 1.00 0.00 N ATOM 612 CA ALA A 48 -0.326 8.338 -5.477 1.00 0.00 C ATOM 613 C ALA A 48 -1.287 9.485 -5.800 1.00 0.00 C ATOM 614 O ALA A 48 -2.507 9.310 -5.760 1.00 0.00 O ATOM 615 CB ALA A 48 0.267 8.518 -4.088 1.00 0.00 C ATOM 0 H ALA A 48 1.681 8.305 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.897 7.410 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.537 8.593 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.898 7.662 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.866 9.428 -4.063 1.00 0.00 H new ATOM 621 N ASP A 49 -0.730 10.652 -6.130 1.00 0.00 N ATOM 622 CA ASP A 49 -1.540 11.824 -6.471 1.00 0.00 C ATOM 623 C ASP A 49 -2.258 11.609 -7.801 1.00 0.00 C ATOM 624 O ASP A 49 -3.435 11.938 -7.943 1.00 0.00 O ATOM 625 CB ASP A 49 -0.667 13.080 -6.554 1.00 0.00 C ATOM 626 CG ASP A 49 0.128 13.329 -5.287 1.00 0.00 C ATOM 627 OD1 ASP A 49 1.159 12.655 -5.095 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.278 14.202 -4.490 1.00 0.00 O ATOM 0 H ASP A 49 0.277 10.811 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.281 11.961 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.020 12.985 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.300 13.944 -6.756 1.00 0.00 H new ATOM 633 N ARG A 50 -1.537 11.048 -8.772 1.00 0.00 N ATOM 634 CA ARG A 50 -2.099 10.780 -10.094 1.00 0.00 C ATOM 635 C ARG A 50 -3.216 9.737 -10.022 1.00 0.00 C ATOM 636 O ARG A 50 -4.149 9.767 -10.825 1.00 0.00 O ATOM 637 CB ARG A 50 -1.003 10.308 -11.050 1.00 0.00 C ATOM 638 CG ARG A 50 0.107 11.327 -11.257 1.00 0.00 C ATOM 639 CD ARG A 50 -0.197 12.253 -12.424 1.00 0.00 C ATOM 640 NE ARG A 50 -1.268 13.203 -12.110 1.00 0.00 N ATOM 641 CZ ARG A 50 -1.963 13.877 -13.029 1.00 0.00 C ATOM 642 NH1 ARG A 50 -1.692 13.729 -14.323 1.00 0.00 N ATOM 643 NH2 ARG A 50 -2.932 14.705 -12.654 1.00 0.00 N ATOM 0 H ARG A 50 -0.561 10.770 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.527 11.709 -10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.570 9.385 -10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.452 10.071 -12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.236 11.915 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.049 10.809 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.705 12.801 -12.696 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.483 11.659 -13.292 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.496 13.359 -11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.948 13.097 -14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.228 14.248 -15.019 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.145 14.826 -11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.463 15.220 -13.356 1.00 0.00 H new ATOM 657 N CYS A 51 -3.116 8.815 -9.061 1.00 0.00 N ATOM 658 CA CYS A 51 -4.122 7.768 -8.894 1.00 0.00 C ATOM 659 C CYS A 51 -5.442 8.336 -8.362 1.00 0.00 C ATOM 660 O CYS A 51 -6.511 7.785 -8.631 1.00 0.00 O ATOM 661 CB CYS A 51 -3.609 6.682 -7.944 1.00 0.00 C ATOM 662 SG CYS A 51 -4.161 5.014 -8.366 1.00 0.00 S ATOM 0 H CYS A 51 -2.350 8.774 -8.389 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.308 7.333 -9.876 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.519 6.703 -7.940 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.936 6.916 -6.931 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.675 4.166 -7.508 1.00 0.00 H new ATOM 668 N GLY A 52 -5.366 9.437 -7.606 1.00 0.00 N ATOM 669 CA GLY A 52 -6.565 10.052 -7.053 1.00 0.00 C ATOM 670 C GLY A 52 -7.093 9.317 -5.829 1.00 0.00 C ATOM 671 O GLY A 52 -7.204 9.900 -4.749 1.00 0.00 O ATOM 0 H GLY A 52 -4.495 9.912 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.347 11.086 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.341 10.078 -7.818 1.00 0.00 H new ATOM 675 N GLY A 53 -7.416 8.031 -6.003 1.00 0.00 N ATOM 676 CA GLY A 53 -7.932 7.219 -4.907 1.00 0.00 C ATOM 677 C GLY A 53 -7.005 7.169 -3.698 1.00 0.00 C ATOM 678 O GLY A 53 -7.459 6.912 -2.583 1.00 0.00 O ATOM 0 H GLY A 53 -7.328 7.536 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.899 7.614 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.102 6.204 -5.266 1.00 0.00 H new ATOM 682 N LEU A 54 -5.709 7.419 -3.913 1.00 0.00 N ATOM 683 CA LEU A 54 -4.733 7.406 -2.824 1.00 0.00 C ATOM 684 C LEU A 54 -5.029 8.530 -1.829 1.00 0.00 C ATOM 685 O LEU A 54 -4.633 9.680 -2.034 1.00 0.00 O ATOM 686 CB LEU A 54 -3.307 7.542 -3.376 1.00 0.00 C ATOM 687 CG LEU A 54 -2.296 6.524 -2.836 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.309 6.503 -1.314 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.581 5.137 -3.398 1.00 0.00 C ATOM 0 H LEU A 54 -5.315 7.632 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.811 6.452 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.345 7.451 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.943 8.545 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.300 6.827 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.584 5.773 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.049 7.491 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.304 6.230 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.853 4.428 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.585 4.826 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.509 5.163 -4.485 1.00 0.00 H new ATOM 701 N HIS A 55 -5.745 8.185 -0.761 1.00 0.00 N ATOM 702 CA HIS A 55 -6.121 9.152 0.268 1.00 0.00 C ATOM 703 C HIS A 55 -5.549 8.764 1.629 1.00 0.00 C ATOM 704 O HIS A 55 -5.250 7.594 1.876 1.00 0.00 O ATOM 705 CB HIS A 55 -7.648 9.260 0.364 1.00 0.00 C ATOM 706 CG HIS A 55 -8.335 7.942 0.589 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.222 7.221 1.762 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.138 7.211 -0.222 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.923 6.108 1.660 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.488 6.077 0.468 1.00 0.00 N ATOM 0 H HIS A 55 -6.078 7.237 -0.585 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.706 10.118 -0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.905 9.937 1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.030 9.707 -0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.445 7.472 -1.224 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.018 5.350 2.423 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.088 5.331 0.116 1.00 0.00 H new ATOM 719 N VAL A 56 -5.415 9.750 2.515 1.00 0.00 N ATOM 720 CA VAL A 56 -4.899 9.507 3.854 1.00 0.00 C ATOM 721 C VAL A 56 -5.892 8.679 4.670 1.00 0.00 C ATOM 722 O VAL A 56 -7.097 8.946 4.654 1.00 0.00 O ATOM 723 CB VAL A 56 -4.597 10.824 4.598 1.00 0.00 C ATOM 724 CG1 VAL A 56 -3.333 11.470 4.053 1.00 0.00 C ATOM 725 CG2 VAL A 56 -5.774 11.789 4.517 1.00 0.00 C ATOM 0 H VAL A 56 -5.657 10.723 2.326 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.966 8.954 3.743 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.436 10.584 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.137 12.398 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.491 10.790 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.463 11.686 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.529 12.707 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.983 12.021 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.653 11.330 4.969 1.00 0.00 H new ATOM 735 N GLY A 57 -5.381 7.671 5.372 1.00 0.00 N ATOM 736 CA GLY A 57 -6.231 6.808 6.177 1.00 0.00 C ATOM 737 C GLY A 57 -6.730 5.596 5.406 1.00 0.00 C ATOM 738 O GLY A 57 -7.911 5.249 5.482 1.00 0.00 O ATOM 0 H GLY A 57 -4.389 7.435 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.677 6.473 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.085 7.381 6.539 1.00 0.00 H new ATOM 742 N ASP A 58 -5.824 4.951 4.667 1.00 0.00 N ATOM 743 CA ASP A 58 -6.162 3.764 3.883 1.00 0.00 C ATOM 744 C ASP A 58 -5.473 2.536 4.470 1.00 0.00 C ATOM 745 O ASP A 58 -4.248 2.513 4.588 1.00 0.00 O ATOM 746 CB ASP A 58 -5.736 3.946 2.420 1.00 0.00 C ATOM 747 CG ASP A 58 -6.896 3.861 1.440 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.931 3.245 1.780 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.764 4.409 0.324 1.00 0.00 O ATOM 0 H ASP A 58 -4.847 5.234 4.596 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.242 3.623 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.246 4.913 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.999 3.184 2.166 1.00 0.00 H new ATOM 754 N ALA A 59 -6.253 1.521 4.839 1.00 0.00 N ATOM 755 CA ALA A 59 -5.690 0.304 5.422 1.00 0.00 C ATOM 756 C ALA A 59 -5.380 -0.742 4.352 1.00 0.00 C ATOM 757 O ALA A 59 -6.263 -1.155 3.601 1.00 0.00 O ATOM 758 CB ALA A 59 -6.634 -0.270 6.470 1.00 0.00 C ATOM 0 H ALA A 59 -7.269 1.516 4.746 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.750 0.573 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.200 -1.175 6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.788 0.463 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.591 -0.509 6.006 1.00 0.00 H new ATOM 764 N ILE A 60 -4.113 -1.164 4.297 1.00 0.00 N ATOM 765 CA ILE A 60 -3.667 -2.163 3.324 1.00 0.00 C ATOM 766 C ILE A 60 -4.244 -3.542 3.638 1.00 0.00 C ATOM 767 O ILE A 60 -4.187 -4.005 4.779 1.00 0.00 O ATOM 768 CB ILE A 60 -2.123 -2.274 3.277 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.485 -0.892 3.103 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.689 -3.205 2.151 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.069 -0.809 3.630 1.00 0.00 C ATOM 0 H ILE A 60 -3.377 -0.827 4.918 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.031 -1.825 2.353 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.782 -2.692 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.486 -0.631 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.099 -0.151 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.601 -3.271 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.110 -4.197 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.045 -2.814 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.319 0.197 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.063 -1.038 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.559 -1.526 3.101 1.00 0.00 H new ATOM 783 N LEU A 61 -4.788 -4.195 2.612 1.00 0.00 N ATOM 784 CA LEU A 61 -5.368 -5.526 2.764 1.00 0.00 C ATOM 785 C LEU A 61 -4.572 -6.561 1.963 1.00 0.00 C ATOM 786 O LEU A 61 -4.121 -7.567 2.515 1.00 0.00 O ATOM 787 CB LEU A 61 -6.833 -5.524 2.317 1.00 0.00 C ATOM 788 CG LEU A 61 -7.805 -4.828 3.276 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.108 -4.486 2.568 1.00 0.00 C ATOM 790 CD2 LEU A 61 -8.071 -5.706 4.491 1.00 0.00 C ATOM 0 H LEU A 61 -4.839 -3.821 1.664 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.323 -5.798 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.899 -5.039 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.157 -6.556 2.182 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.347 -3.898 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.783 -3.993 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.903 -3.820 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.572 -5.400 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.763 -5.198 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.507 -6.651 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.134 -5.898 5.013 1.00 0.00 H new ATOM 802 N ALA A 62 -4.401 -6.306 0.663 1.00 0.00 N ATOM 803 CA ALA A 62 -3.657 -7.215 -0.208 1.00 0.00 C ATOM 804 C ALA A 62 -2.989 -6.464 -1.360 1.00 0.00 C ATOM 805 O ALA A 62 -3.529 -5.477 -1.867 1.00 0.00 O ATOM 806 CB ALA A 62 -4.577 -8.303 -0.748 1.00 0.00 C ATOM 0 H ALA A 62 -4.768 -5.479 0.193 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.871 -7.679 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.009 -8.972 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.996 -8.871 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.385 -7.846 -1.319 1.00 0.00 H new ATOM 812 N VAL A 63 -1.812 -6.941 -1.769 1.00 0.00 N ATOM 813 CA VAL A 63 -1.065 -6.323 -2.864 1.00 0.00 C ATOM 814 C VAL A 63 -0.735 -7.357 -3.938 1.00 0.00 C ATOM 815 O VAL A 63 -0.073 -8.360 -3.662 1.00 0.00 O ATOM 816 CB VAL A 63 0.243 -5.667 -2.369 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.913 -4.886 -3.494 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.028 -4.763 -1.172 1.00 0.00 C ATOM 0 H VAL A 63 -1.356 -7.755 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.701 -5.545 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 63 0.923 -6.458 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.832 -4.432 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.147 -5.562 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.239 -4.105 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.906 -4.311 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.729 -3.979 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.456 -5.352 -0.361 1.00 0.00 H new ATOM 828 N ASN A 64 -1.213 -7.107 -5.160 1.00 0.00 N ATOM 829 CA ASN A 64 -0.990 -8.012 -6.290 1.00 0.00 C ATOM 830 C ASN A 64 -1.519 -9.417 -5.978 1.00 0.00 C ATOM 831 O ASN A 64 -0.944 -10.420 -6.407 1.00 0.00 O ATOM 832 CB ASN A 64 0.502 -8.066 -6.654 1.00 0.00 C ATOM 833 CG ASN A 64 0.730 -8.027 -8.156 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.141 -8.807 -8.904 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.591 -7.119 -8.609 1.00 0.00 N ATOM 0 H ASN A 64 -1.761 -6.279 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.540 -7.624 -7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.018 -7.226 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.941 -8.976 -6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.783 -7.052 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.059 -6.490 -7.957 1.00 0.00 H new ATOM 842 N GLY A 65 -2.620 -9.480 -5.222 1.00 0.00 N ATOM 843 CA GLY A 65 -3.207 -10.761 -4.859 1.00 0.00 C ATOM 844 C GLY A 65 -2.573 -11.388 -3.619 1.00 0.00 C ATOM 845 O GLY A 65 -3.100 -12.364 -3.081 1.00 0.00 O ATOM 0 H GLY A 65 -3.113 -8.666 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.274 -10.627 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.106 -11.450 -5.698 1.00 0.00 H new ATOM 849 N VAL A 66 -1.445 -10.835 -3.162 1.00 0.00 N ATOM 850 CA VAL A 66 -0.754 -11.356 -1.983 1.00 0.00 C ATOM 851 C VAL A 66 -1.285 -10.705 -0.707 1.00 0.00 C ATOM 852 O VAL A 66 -1.495 -9.491 -0.661 1.00 0.00 O ATOM 853 CB VAL A 66 0.772 -11.131 -2.077 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.494 -11.848 -0.945 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.299 -11.594 -3.429 1.00 0.00 C ATOM 0 H VAL A 66 -0.993 -10.028 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.947 -12.428 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 66 0.966 -10.063 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.567 -11.676 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.141 -11.465 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.292 -12.918 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.375 -11.428 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.090 -12.656 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.809 -11.030 -4.223 1.00 0.00 H new ATOM 865 N ASN A 67 -1.504 -11.522 0.324 1.00 0.00 N ATOM 866 CA ASN A 67 -2.017 -11.030 1.601 1.00 0.00 C ATOM 867 C ASN A 67 -0.892 -10.460 2.461 1.00 0.00 C ATOM 868 O ASN A 67 0.173 -11.067 2.589 1.00 0.00 O ATOM 869 CB ASN A 67 -2.739 -12.153 2.356 1.00 0.00 C ATOM 870 CG ASN A 67 -4.106 -11.726 2.859 1.00 0.00 C ATOM 871 OD1 ASN A 67 -5.101 -11.822 2.141 1.00 0.00 O ATOM 872 ND2 ASN A 67 -4.166 -11.251 4.100 1.00 0.00 N ATOM 0 H ASN A 67 -1.334 -12.527 0.299 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.727 -10.230 1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.850 -13.016 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.127 -12.471 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.060 -10.950 4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.318 -11.187 4.663 1.00 0.00 H new ATOM 879 N LEU A 68 -1.137 -9.287 3.047 1.00 0.00 N ATOM 880 CA LEU A 68 -0.145 -8.628 3.898 1.00 0.00 C ATOM 881 C LEU A 68 -0.541 -8.667 5.380 1.00 0.00 C ATOM 882 O LEU A 68 0.280 -8.363 6.248 1.00 0.00 O ATOM 883 CB LEU A 68 0.059 -7.176 3.451 1.00 0.00 C ATOM 884 CG LEU A 68 1.411 -6.880 2.791 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.657 -7.819 1.618 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.477 -5.426 2.339 1.00 0.00 C ATOM 0 H LEU A 68 -2.013 -8.774 2.948 1.00 0.00 H new ATOM 0 HA LEU A 68 0.790 -9.177 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.734 -6.913 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.054 -6.526 4.319 1.00 0.00 H new ATOM 0 HG LEU A 68 2.196 -7.047 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.622 -7.591 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.657 -8.850 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.869 -7.689 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.443 -5.233 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.682 -5.232 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.353 -4.771 3.201 1.00 0.00 H new ATOM 898 N ARG A 69 -1.795 -9.039 5.668 1.00 0.00 N ATOM 899 CA ARG A 69 -2.283 -9.113 7.049 1.00 0.00 C ATOM 900 C ARG A 69 -1.488 -10.130 7.878 1.00 0.00 C ATOM 901 O ARG A 69 -1.359 -9.976 9.092 1.00 0.00 O ATOM 902 CB ARG A 69 -3.771 -9.478 7.076 1.00 0.00 C ATOM 903 CG ARG A 69 -4.499 -8.968 8.312 1.00 0.00 C ATOM 904 CD ARG A 69 -5.825 -9.688 8.522 1.00 0.00 C ATOM 905 NE ARG A 69 -6.967 -8.775 8.442 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.521 -8.364 7.296 1.00 0.00 C ATOM 907 NH1 ARG A 69 -7.030 -8.766 6.124 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.567 -7.544 7.323 1.00 0.00 N ATOM 0 H ARG A 69 -2.488 -9.293 4.964 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.144 -8.128 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.253 -9.072 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.872 -10.562 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.867 -9.106 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.678 -7.897 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.934 -10.471 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.821 -10.178 9.496 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.365 -8.431 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.225 -9.392 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.459 -8.447 5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.946 -7.229 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.991 -7.229 6.450 1.00 0.00 H new ATOM 922 N ASP A 70 -0.959 -11.165 7.217 1.00 0.00 N ATOM 923 CA ASP A 70 -0.175 -12.202 7.897 1.00 0.00 C ATOM 924 C ASP A 70 1.333 -11.930 7.794 1.00 0.00 C ATOM 925 O ASP A 70 2.147 -12.781 8.160 1.00 0.00 O ATOM 926 CB ASP A 70 -0.495 -13.582 7.306 1.00 0.00 C ATOM 927 CG ASP A 70 -0.165 -13.677 5.827 1.00 0.00 C ATOM 928 OD1 ASP A 70 -0.995 -13.235 5.005 1.00 0.00 O ATOM 929 OD2 ASP A 70 0.923 -14.190 5.491 1.00 0.00 O ATOM 0 H ASP A 70 -1.059 -11.307 6.212 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.450 -12.185 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.065 -14.344 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.553 -13.799 7.453 1.00 0.00 H new ATOM 934 N THR A 71 1.702 -10.745 7.297 1.00 0.00 N ATOM 935 CA THR A 71 3.108 -10.374 7.148 1.00 0.00 C ATOM 936 C THR A 71 3.434 -9.139 7.983 1.00 0.00 C ATOM 937 O THR A 71 2.544 -8.356 8.322 1.00 0.00 O ATOM 938 CB THR A 71 3.443 -10.113 5.669 1.00 0.00 C ATOM 939 OG1 THR A 71 2.950 -8.851 5.242 1.00 0.00 O ATOM 940 CG2 THR A 71 2.887 -11.163 4.727 1.00 0.00 C ATOM 0 H THR A 71 1.044 -10.028 6.992 1.00 0.00 H new ATOM 0 HA THR A 71 3.716 -11.205 7.506 1.00 0.00 H new ATOM 0 HB THR A 71 4.532 -10.144 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.046 -8.716 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.162 -10.914 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.298 -12.139 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.801 -11.192 4.814 1.00 0.00 H new ATOM 948 N LYS A 72 4.715 -8.965 8.303 1.00 0.00 N ATOM 949 CA LYS A 72 5.164 -7.819 9.092 1.00 0.00 C ATOM 950 C LYS A 72 5.388 -6.599 8.199 1.00 0.00 C ATOM 951 O LYS A 72 5.537 -6.732 6.984 1.00 0.00 O ATOM 952 CB LYS A 72 6.456 -8.164 9.842 1.00 0.00 C ATOM 953 CG LYS A 72 6.252 -8.424 11.328 1.00 0.00 C ATOM 954 CD LYS A 72 5.386 -9.653 11.573 1.00 0.00 C ATOM 955 CE LYS A 72 6.220 -10.927 11.623 1.00 0.00 C ATOM 956 NZ LYS A 72 5.869 -11.880 10.529 1.00 0.00 N ATOM 0 H LYS A 72 5.461 -9.604 8.028 1.00 0.00 H new ATOM 0 HA LYS A 72 4.386 -7.579 9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.905 -9.046 9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.166 -7.346 9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.220 -8.560 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.786 -7.553 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.844 -9.535 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.640 -9.737 10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.277 -10.669 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.075 -11.415 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.463 -12.730 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.868 -12.149 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.032 -11.426 9.608 1.00 0.00 H new ATOM 970 N HIS A 73 5.415 -5.410 8.808 1.00 0.00 N ATOM 971 CA HIS A 73 5.627 -4.166 8.062 1.00 0.00 C ATOM 972 C HIS A 73 6.900 -4.246 7.218 1.00 0.00 C ATOM 973 O HIS A 73 6.875 -3.964 6.020 1.00 0.00 O ATOM 974 CB HIS A 73 5.709 -2.974 9.024 1.00 0.00 C ATOM 975 CG HIS A 73 5.938 -1.659 8.343 1.00 0.00 C ATOM 976 ND1 HIS A 73 7.113 -0.945 8.462 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.134 -0.922 7.539 1.00 0.00 C ATOM 978 CE1 HIS A 73 7.020 0.173 7.764 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.830 0.211 7.194 1.00 0.00 N ATOM 0 H HIS A 73 5.293 -5.283 9.813 1.00 0.00 H new ATOM 0 HA HIS A 73 4.778 -4.024 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.784 -2.919 9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.516 -3.149 9.736 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.927 -1.235 9.004 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.132 -1.178 7.227 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.787 0.928 7.675 1.00 0.00 H new ATOM 988 N LYS A 74 8.008 -4.643 7.850 1.00 0.00 N ATOM 989 CA LYS A 74 9.292 -4.770 7.154 1.00 0.00 C ATOM 990 C LYS A 74 9.195 -5.777 6.007 1.00 0.00 C ATOM 991 O LYS A 74 9.727 -5.543 4.920 1.00 0.00 O ATOM 992 CB LYS A 74 10.400 -5.192 8.128 1.00 0.00 C ATOM 993 CG LYS A 74 10.080 -6.450 8.924 1.00 0.00 C ATOM 994 CD LYS A 74 11.265 -6.901 9.760 1.00 0.00 C ATOM 995 CE LYS A 74 10.854 -7.953 10.778 1.00 0.00 C ATOM 996 NZ LYS A 74 12.023 -8.495 11.523 1.00 0.00 N ATOM 0 H LYS A 74 8.042 -4.882 8.841 1.00 0.00 H new ATOM 0 HA LYS A 74 9.542 -3.794 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.320 -5.354 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.590 -4.374 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.226 -6.262 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.791 -7.249 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.040 -7.305 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.697 -6.043 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.145 -7.518 11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.339 -8.768 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.699 -9.209 12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.688 -8.933 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.500 -7.722 12.030 1.00 0.00 H new ATOM 1010 N GLU A 75 8.507 -6.893 6.255 1.00 0.00 N ATOM 1011 CA GLU A 75 8.333 -7.933 5.243 1.00 0.00 C ATOM 1012 C GLU A 75 7.459 -7.435 4.092 1.00 0.00 C ATOM 1013 O GLU A 75 7.715 -7.748 2.930 1.00 0.00 O ATOM 1014 CB GLU A 75 7.706 -9.184 5.862 1.00 0.00 C ATOM 1015 CG GLU A 75 8.710 -10.285 6.162 1.00 0.00 C ATOM 1016 CD GLU A 75 8.133 -11.671 5.948 1.00 0.00 C ATOM 1017 OE1 GLU A 75 8.037 -12.100 4.779 1.00 0.00 O ATOM 1018 OE2 GLU A 75 7.777 -12.326 6.951 1.00 0.00 O ATOM 0 H GLU A 75 8.061 -7.099 7.149 1.00 0.00 H new ATOM 0 HA GLU A 75 9.318 -8.184 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.198 -8.906 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.946 -9.572 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.586 -10.157 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.049 -10.192 7.194 1.00 0.00 H new ATOM 1025 N ALA A 76 6.426 -6.659 4.426 1.00 0.00 N ATOM 1026 CA ALA A 76 5.512 -6.121 3.422 1.00 0.00 C ATOM 1027 C ALA A 76 6.231 -5.176 2.464 1.00 0.00 C ATOM 1028 O ALA A 76 5.918 -5.138 1.274 1.00 0.00 O ATOM 1029 CB ALA A 76 4.350 -5.406 4.096 1.00 0.00 C ATOM 0 H ALA A 76 6.203 -6.390 5.384 1.00 0.00 H new ATOM 0 HA ALA A 76 5.125 -6.957 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.676 -5.010 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.809 -6.109 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.731 -4.587 4.706 1.00 0.00 H new ATOM 1035 N VAL A 77 7.205 -4.424 2.981 1.00 0.00 N ATOM 1036 CA VAL A 77 7.971 -3.492 2.156 1.00 0.00 C ATOM 1037 C VAL A 77 8.727 -4.244 1.062 1.00 0.00 C ATOM 1038 O VAL A 77 8.791 -3.793 -0.083 1.00 0.00 O ATOM 1039 CB VAL A 77 8.975 -2.671 2.998 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.669 -1.623 2.137 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.276 -2.017 4.183 1.00 0.00 C ATOM 0 H VAL A 77 7.480 -4.443 3.963 1.00 0.00 H new ATOM 0 HA VAL A 77 7.258 -2.803 1.704 1.00 0.00 H new ATOM 0 HB VAL A 77 9.733 -3.352 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.371 -1.056 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.208 -2.116 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.925 -0.946 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.000 -1.444 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.493 -1.351 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.834 -2.787 4.815 1.00 0.00 H new ATOM 1051 N THR A 78 9.285 -5.399 1.422 1.00 0.00 N ATOM 1052 CA THR A 78 10.025 -6.224 0.473 1.00 0.00 C ATOM 1053 C THR A 78 9.092 -6.786 -0.600 1.00 0.00 C ATOM 1054 O THR A 78 9.420 -6.767 -1.787 1.00 0.00 O ATOM 1055 CB THR A 78 10.738 -7.368 1.200 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.279 -6.924 2.433 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.869 -7.972 0.395 1.00 0.00 C ATOM 0 H THR A 78 9.238 -5.784 2.366 1.00 0.00 H new ATOM 0 HA THR A 78 10.772 -5.595 -0.012 1.00 0.00 H new ATOM 0 HB THR A 78 9.974 -8.130 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.728 -7.671 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.333 -8.777 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.477 -8.370 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.613 -7.205 0.180 1.00 0.00 H new ATOM 1065 N ILE A 79 7.925 -7.278 -0.175 1.00 0.00 N ATOM 1066 CA ILE A 79 6.942 -7.838 -1.105 1.00 0.00 C ATOM 1067 C ILE A 79 6.460 -6.775 -2.091 1.00 0.00 C ATOM 1068 O ILE A 79 6.339 -7.037 -3.288 1.00 0.00 O ATOM 1069 CB ILE A 79 5.720 -8.437 -0.369 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.167 -9.449 0.693 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.769 -9.092 -1.365 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.240 -9.524 1.889 1.00 0.00 C ATOM 0 H ILE A 79 7.639 -7.300 0.804 1.00 0.00 H new ATOM 0 HA ILE A 79 7.446 -8.640 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 79 5.192 -7.627 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.237 -10.436 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.168 -9.185 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.914 -9.509 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.422 -8.347 -2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.290 -9.889 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.619 -10.260 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.189 -8.548 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.244 -9.818 1.559 1.00 0.00 H new ATOM 1084 N LEU A 80 6.195 -5.572 -1.579 1.00 0.00 N ATOM 1085 CA LEU A 80 5.736 -4.465 -2.417 1.00 0.00 C ATOM 1086 C LEU A 80 6.795 -4.100 -3.457 1.00 0.00 C ATOM 1087 O LEU A 80 6.464 -3.759 -4.593 1.00 0.00 O ATOM 1088 CB LEU A 80 5.402 -3.243 -1.557 1.00 0.00 C ATOM 1089 CG LEU A 80 4.254 -3.441 -0.566 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.332 -2.411 0.552 1.00 0.00 C ATOM 1091 CD2 LEU A 80 2.914 -3.362 -1.285 1.00 0.00 C ATOM 0 H LEU A 80 6.290 -5.340 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 80 4.833 -4.785 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.294 -2.954 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.153 -2.411 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 80 4.344 -4.432 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.508 -2.566 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.279 -2.519 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.265 -1.409 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.107 -3.505 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.811 -2.385 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.863 -4.140 -2.047 1.00 0.00 H new ATOM 1103 N SER A 81 8.069 -4.184 -3.065 1.00 0.00 N ATOM 1104 CA SER A 81 9.173 -3.873 -3.972 1.00 0.00 C ATOM 1105 C SER A 81 9.236 -4.879 -5.126 1.00 0.00 C ATOM 1106 O SER A 81 9.619 -4.525 -6.242 1.00 0.00 O ATOM 1107 CB SER A 81 10.506 -3.857 -3.212 1.00 0.00 C ATOM 1108 OG SER A 81 11.610 -3.790 -4.103 1.00 0.00 O ATOM 0 H SER A 81 8.359 -4.464 -2.128 1.00 0.00 H new ATOM 0 HA SER A 81 8.994 -2.882 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.530 -3.003 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.587 -4.753 -2.597 1.00 0.00 H new ATOM 0 HG SER A 81 12.445 -3.780 -3.590 1.00 0.00 H new ATOM 1114 N GLN A 82 8.855 -6.132 -4.851 1.00 0.00 N ATOM 1115 CA GLN A 82 8.866 -7.186 -5.871 1.00 0.00 C ATOM 1116 C GLN A 82 7.858 -6.892 -6.987 1.00 0.00 C ATOM 1117 O GLN A 82 8.057 -7.305 -8.131 1.00 0.00 O ATOM 1118 CB GLN A 82 8.557 -8.551 -5.243 1.00 0.00 C ATOM 1119 CG GLN A 82 9.478 -8.923 -4.088 1.00 0.00 C ATOM 1120 CD GLN A 82 10.534 -9.944 -4.476 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.384 -10.672 -5.459 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.612 -10.006 -3.702 1.00 0.00 N ATOM 0 H GLN A 82 8.536 -6.440 -3.932 1.00 0.00 H new ATOM 0 HA GLN A 82 9.866 -7.210 -6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.527 -8.551 -4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.629 -9.319 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.969 -8.023 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.880 -9.320 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.698 -9.386 -2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.353 -10.674 -3.913 1.00 0.00 H new ATOM 1131 N GLN A 83 6.780 -6.177 -6.650 1.00 0.00 N ATOM 1132 CA GLN A 83 5.747 -5.830 -7.628 1.00 0.00 C ATOM 1133 C GLN A 83 6.328 -4.964 -8.746 1.00 0.00 C ATOM 1134 O GLN A 83 6.733 -3.822 -8.515 1.00 0.00 O ATOM 1135 CB GLN A 83 4.579 -5.102 -6.950 1.00 0.00 C ATOM 1136 CG GLN A 83 4.119 -5.735 -5.639 1.00 0.00 C ATOM 1137 CD GLN A 83 3.881 -7.235 -5.739 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.784 -7.793 -6.832 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.781 -7.897 -4.591 1.00 0.00 N ATOM 0 H GLN A 83 6.601 -5.828 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 83 5.373 -6.756 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.872 -4.070 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.736 -5.071 -7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.868 -5.545 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.198 -5.250 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.867 -7.398 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.618 -8.904 -4.595 1.00 0.00 H new ATOM 1148 N ARG A 84 6.376 -5.525 -9.955 1.00 0.00 N ATOM 1149 CA ARG A 84 6.917 -4.820 -11.116 1.00 0.00 C ATOM 1150 C ARG A 84 5.826 -4.512 -12.138 1.00 0.00 C ATOM 1151 O ARG A 84 4.858 -5.264 -12.277 1.00 0.00 O ATOM 1152 CB ARG A 84 8.025 -5.652 -11.770 1.00 0.00 C ATOM 1153 CG ARG A 84 7.603 -7.073 -12.110 1.00 0.00 C ATOM 1154 CD ARG A 84 8.730 -7.850 -12.769 1.00 0.00 C ATOM 1155 NE ARG A 84 9.639 -8.444 -11.787 1.00 0.00 N ATOM 1156 CZ ARG A 84 9.329 -9.490 -11.011 1.00 0.00 C ATOM 1157 NH1 ARG A 84 8.124 -10.055 -11.088 1.00 0.00 N ATOM 1158 NH2 ARG A 84 10.225 -9.968 -10.153 1.00 0.00 N ATOM 0 H ARG A 84 6.045 -6.469 -10.155 1.00 0.00 H new ATOM 0 HA ARG A 84 7.332 -3.874 -10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.353 -5.152 -12.681 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.884 -5.688 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.289 -7.587 -11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.740 -7.047 -12.776 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.309 -8.637 -13.395 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.291 -7.186 -13.426 1.00 0.00 H new ATOM 0 HE ARG A 84 10.568 -8.035 -11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.431 -9.691 -11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.895 -10.852 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.147 -9.538 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.990 -10.765 -9.561 1.00 0.00 H new ATOM 1172 N GLY A 85 5.997 -3.400 -12.856 1.00 0.00 N ATOM 1173 CA GLY A 85 5.031 -2.996 -13.865 1.00 0.00 C ATOM 1174 C GLY A 85 3.662 -2.705 -13.278 1.00 0.00 C ATOM 1175 O GLY A 85 3.451 -1.652 -12.670 1.00 0.00 O ATOM 0 H GLY A 85 6.793 -2.770 -12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.398 -2.108 -14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.942 -3.784 -14.613 1.00 0.00 H new ATOM 1179 N GLU A 86 2.735 -3.647 -13.452 1.00 0.00 N ATOM 1180 CA GLU A 86 1.383 -3.499 -12.929 1.00 0.00 C ATOM 1181 C GLU A 86 1.300 -4.047 -11.510 1.00 0.00 C ATOM 1182 O GLU A 86 1.673 -5.194 -11.253 1.00 0.00 O ATOM 1183 CB GLU A 86 0.372 -4.218 -13.829 1.00 0.00 C ATOM 1184 CG GLU A 86 -1.078 -3.903 -13.484 1.00 0.00 C ATOM 1185 CD GLU A 86 -2.076 -4.731 -14.277 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.790 -5.918 -14.548 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -3.146 -4.190 -14.625 1.00 0.00 O ATOM 0 H GLU A 86 2.899 -4.521 -13.952 1.00 0.00 H new ATOM 0 HA GLU A 86 1.139 -2.437 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.559 -3.941 -14.866 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.530 -5.294 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.237 -4.076 -12.420 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.267 -2.845 -13.667 1.00 0.00 H new ATOM 1194 N ILE A 87 0.810 -3.219 -10.592 1.00 0.00 N ATOM 1195 CA ILE A 87 0.678 -3.615 -9.196 1.00 0.00 C ATOM 1196 C ILE A 87 -0.751 -3.401 -8.704 1.00 0.00 C ATOM 1197 O ILE A 87 -1.317 -2.318 -8.865 1.00 0.00 O ATOM 1198 CB ILE A 87 1.645 -2.826 -8.287 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.031 -2.729 -8.933 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.735 -3.483 -6.915 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.008 -1.883 -8.145 1.00 0.00 C ATOM 0 H ILE A 87 0.498 -2.269 -10.791 1.00 0.00 H new ATOM 0 HA ILE A 87 0.930 -4.674 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 87 1.257 -1.815 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.441 -3.733 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.928 -2.312 -9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.420 -2.916 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.747 -3.500 -6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.102 -4.504 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.968 -1.859 -8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.620 -0.869 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.141 -2.311 -7.152 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.324 -4.437 -8.098 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.683 -4.364 -7.574 1.00 0.00 C ATOM 1215 C GLU A 88 -2.666 -3.975 -6.099 1.00 0.00 C ATOM 1216 O GLU A 88 -1.869 -4.502 -5.322 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.391 -5.709 -7.747 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.910 -5.608 -7.756 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.505 -5.699 -9.150 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.105 -6.604 -9.915 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.379 -4.867 -9.475 1.00 0.00 O ATOM 0 H GLU A 88 -0.867 -5.338 -7.958 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.226 -3.602 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.061 -6.165 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.085 -6.376 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.325 -6.404 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.208 -4.663 -7.301 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.545 -3.053 -5.716 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.619 -2.605 -4.330 1.00 0.00 C ATOM 1230 C PHE A 89 -5.060 -2.635 -3.820 1.00 0.00 C ATOM 1231 O PHE A 89 -5.967 -2.099 -4.457 1.00 0.00 O ATOM 1232 CB PHE A 89 -3.042 -1.192 -4.204 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.617 -1.161 -3.723 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.566 -1.339 -4.610 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.330 -0.950 -2.384 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.744 -1.306 -4.169 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.023 -0.915 -1.938 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.016 -1.093 -2.831 1.00 0.00 C ATOM 0 H PHE A 89 -4.213 -2.604 -6.343 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.029 -3.287 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.100 -0.698 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.661 -0.616 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.773 -1.505 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.138 -0.811 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.554 -1.447 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.186 -0.749 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.038 -1.066 -2.484 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.258 -3.263 -2.663 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.582 -3.363 -2.058 1.00 0.00 C ATOM 1250 C GLU A 90 -6.571 -2.751 -0.661 1.00 0.00 C ATOM 1251 O GLU A 90 -5.879 -3.242 0.235 1.00 0.00 O ATOM 1252 CB GLU A 90 -7.030 -4.827 -2.002 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.025 -5.516 -3.361 1.00 0.00 C ATOM 1254 CD GLU A 90 -7.762 -6.842 -3.351 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -7.301 -7.774 -2.656 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -8.798 -6.951 -4.041 1.00 0.00 O ATOM 0 H GLU A 90 -4.516 -3.711 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.292 -2.809 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.375 -5.374 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.035 -4.876 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.482 -4.857 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.995 -5.681 -3.676 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.328 -1.667 -0.488 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.397 -0.969 0.795 1.00 0.00 C ATOM 1265 C VAL A 91 -8.830 -0.536 1.123 1.00 0.00 C ATOM 1266 O VAL A 91 -9.729 -0.644 0.285 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.475 0.274 0.803 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -5.008 -0.136 0.804 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.777 1.176 -0.386 1.00 0.00 C ATOM 0 H VAL A 91 -7.903 -1.253 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.059 -1.672 1.556 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.672 0.833 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.381 0.756 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.798 -0.733 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.794 -0.724 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.118 2.044 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.615 0.624 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.814 1.507 -0.337 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.033 -0.046 2.351 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.354 0.405 2.797 1.00 0.00 C ATOM 1281 C VAL A 92 -10.272 1.749 3.523 1.00 0.00 C ATOM 1282 O VAL A 92 -9.319 2.008 4.262 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.027 -0.626 3.731 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.437 -1.870 2.958 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.111 -0.991 4.893 1.00 0.00 C ATOM 0 H VAL A 92 -8.299 0.048 3.053 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.958 0.517 1.897 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.927 -0.168 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.908 -2.581 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.142 -1.595 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.555 -2.327 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.609 -1.718 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.187 -1.421 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.881 -0.095 5.470 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.284 2.595 3.313 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.334 3.912 3.949 1.00 0.00 C ATOM 1297 C TYR A 93 -11.826 3.804 5.392 1.00 0.00 C ATOM 1298 O TYR A 93 -12.921 3.298 5.647 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.249 4.859 3.161 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.755 6.291 3.105 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.061 6.857 4.171 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -11.977 7.076 1.980 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.604 8.158 4.115 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.523 8.379 1.918 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.837 8.915 2.987 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.378 10.211 2.926 1.00 0.00 O ATOM 0 H TYR A 93 -12.079 2.391 2.708 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.322 4.317 3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.355 4.482 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.242 4.846 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.877 6.268 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.514 6.660 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.066 8.581 4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.705 8.975 1.036 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.624 10.605 2.063 1.00 0.00 H new ATOM 1316 N VAL A 94 -11.014 4.290 6.330 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.368 4.255 7.746 1.00 0.00 C ATOM 1318 C VAL A 94 -11.426 5.664 8.333 1.00 0.00 C ATOM 1319 O VAL A 94 -10.526 6.477 8.109 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.373 3.400 8.561 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.461 1.939 8.144 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -8.947 3.921 8.409 1.00 0.00 C ATOM 0 H VAL A 94 -10.107 4.712 6.134 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.355 3.798 7.813 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.645 3.476 9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.753 1.351 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.472 1.571 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.221 1.848 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.268 3.300 8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.657 3.886 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.895 4.950 8.766 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.491 5.945 9.082 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.673 7.255 9.701 1.00 0.00 C ATOM 1334 C ALA A 95 -13.713 7.202 10.819 1.00 0.00 C ATOM 1335 O ALA A 95 -14.695 6.440 10.683 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.074 8.284 8.652 1.00 0.00 C ATOM 0 H ALA A 95 -13.241 5.281 9.275 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.722 7.552 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.206 9.256 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.294 8.354 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.009 7.979 8.183 1.00 0.00 H new