USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 819 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 59 ASN : amide:sc= -0.428 K(o=-1.8,f=-12!) USER MOD Set 1.2: A 65 SER OG : rot 70:sc= -1.39! USER MOD Set 2.1: A 38 HIS : no HD1:sc= -0.537! C(o=0.74!,f=-5.8!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ 166:sc= 1.27 (180deg=-0.0766) USER MOD Single : A 3 GLN : amide:sc= -0.996 X(o=-1,f=-0.9) USER MOD Single : A 7 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.12) USER MOD Single : A 13 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.41) USER MOD Single : A 14 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= 1.9 (180deg=1.32) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.033 (180deg=-0.222) USER MOD Single : A 21 SER OG : rot 62:sc= -0.244 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 23 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0235 (180deg=-0.18) USER MOD Single : A 29 MET CE :methyl 150:sc= 0 (180deg=-1.08) USER MOD Single : A 32 TYR OH : rot -140:sc= 0.188 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 50 SER OG : rot -35:sc= 0.49 USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= -1.88! (180deg=-4.24!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.028 (180deg=-0.34) USER MOD Single : A 74 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0438 (180deg=-0.223) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0152) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 1.04 (180deg=1) USER MOD Single : A 96 TYR OH : rot -46:sc= -1.74! USER MOD Single : A 97 LYS NZ :NH3+ -107:sc= -0.225 (180deg=-0.841) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -15.689 -3.711 10.488 1.00 73.52 N ATOM 21 CA ASP A 2 -16.216 -4.541 9.397 1.00 61.22 C ATOM 22 C ASP A 2 -15.181 -5.559 8.875 1.00 5.05 C ATOM 23 O ASP A 2 -14.001 -5.243 8.721 1.00 31.11 O ATOM 24 CB ASP A 2 -16.702 -3.647 8.255 1.00 33.43 C ATOM 25 CG ASP A 2 -17.514 -4.425 7.239 1.00 62.33 C ATOM 26 OD1 ASP A 2 -16.921 -4.962 6.284 1.00 53.11 O ATOM 27 OD2 ASP A 2 -18.746 -4.524 7.409 1.00 63.31 O ATOM 0 HA ASP A 2 -17.051 -5.115 9.798 1.00 61.22 H new ATOM 0 HB2 ASP A 2 -17.307 -2.836 8.660 1.00 33.43 H new ATOM 0 HB3 ASP A 2 -15.845 -3.189 7.762 1.00 33.43 H new ATOM 32 N GLN A 3 -15.649 -6.775 8.575 1.00 74.04 N ATOM 33 CA GLN A 3 -14.773 -7.881 8.159 1.00 32.13 C ATOM 34 C GLN A 3 -13.998 -7.576 6.869 1.00 15.34 C ATOM 35 O GLN A 3 -12.909 -8.116 6.656 1.00 44.41 O ATOM 36 CB GLN A 3 -15.593 -9.170 7.996 1.00 13.43 C ATOM 37 CG GLN A 3 -15.964 -9.843 9.319 1.00 74.24 C ATOM 38 CD GLN A 3 -16.626 -8.897 10.310 1.00 70.04 C ATOM 39 OE1 GLN A 3 -17.844 -8.748 10.331 1.00 12.13 O ATOM 40 NE2 GLN A 3 -15.826 -8.248 11.135 1.00 45.01 N ATOM 0 H GLN A 3 -16.638 -7.022 8.612 1.00 74.04 H new ATOM 0 HA GLN A 3 -14.031 -8.013 8.947 1.00 32.13 H new ATOM 0 HB2 GLN A 3 -16.507 -8.940 7.448 1.00 13.43 H new ATOM 0 HB3 GLN A 3 -15.026 -9.875 7.388 1.00 13.43 H new ATOM 0 HG2 GLN A 3 -16.637 -10.677 9.118 1.00 74.24 H new ATOM 0 HG3 GLN A 3 -15.064 -10.261 9.771 1.00 74.24 H new ATOM 0 HE21 GLN A 3 -14.818 -8.396 11.090 1.00 45.01 H new ATOM 0 HE22 GLN A 3 -16.216 -7.598 11.818 1.00 45.01 H new ATOM 49 N PHE A 4 -14.549 -6.728 6.007 1.00 54.13 N ATOM 50 CA PHE A 4 -13.825 -6.290 4.809 1.00 41.42 C ATOM 51 C PHE A 4 -12.510 -5.608 5.208 1.00 64.34 C ATOM 52 O PHE A 4 -11.432 -5.971 4.733 1.00 13.54 O ATOM 53 CB PHE A 4 -14.689 -5.335 3.971 1.00 20.11 C ATOM 54 CG PHE A 4 -13.949 -4.702 2.815 1.00 51.33 C ATOM 55 CD1 PHE A 4 -13.519 -5.472 1.744 1.00 53.24 C ATOM 56 CD2 PHE A 4 -13.676 -3.340 2.808 1.00 55.25 C ATOM 57 CE1 PHE A 4 -12.834 -4.899 0.691 1.00 52.32 C ATOM 58 CE2 PHE A 4 -12.992 -2.763 1.754 1.00 4.52 C ATOM 59 CZ PHE A 4 -12.569 -3.543 0.696 1.00 23.33 C ATOM 0 H PHE A 4 -15.483 -6.332 6.109 1.00 54.13 H new ATOM 0 HA PHE A 4 -13.598 -7.166 4.202 1.00 41.42 H new ATOM 0 HB2 PHE A 4 -15.549 -5.882 3.584 1.00 20.11 H new ATOM 0 HB3 PHE A 4 -15.076 -4.548 4.618 1.00 20.11 H new ATOM 0 HD1 PHE A 4 -13.723 -6.533 1.734 1.00 53.24 H new ATOM 0 HD2 PHE A 4 -14.001 -2.725 3.634 1.00 55.25 H new ATOM 0 HE1 PHE A 4 -12.505 -5.511 -0.136 1.00 52.32 H new ATOM 0 HE2 PHE A 4 -12.789 -1.702 1.758 1.00 4.52 H new ATOM 0 HZ PHE A 4 -12.032 -3.094 -0.126 1.00 23.33 H new ATOM 69 N LEU A 5 -12.618 -4.639 6.112 1.00 63.53 N ATOM 70 CA LEU A 5 -11.458 -3.900 6.611 1.00 44.53 C ATOM 71 C LEU A 5 -10.541 -4.807 7.447 1.00 32.32 C ATOM 72 O LEU A 5 -9.326 -4.818 7.262 1.00 15.54 O ATOM 73 CB LEU A 5 -11.937 -2.711 7.455 1.00 1.15 C ATOM 74 CG LEU A 5 -12.920 -1.763 6.746 1.00 4.10 C ATOM 75 CD1 LEU A 5 -13.391 -0.659 7.690 1.00 44.50 C ATOM 76 CD2 LEU A 5 -12.282 -1.170 5.494 1.00 13.03 C ATOM 0 H LEU A 5 -13.506 -4.344 6.519 1.00 63.53 H new ATOM 0 HA LEU A 5 -10.883 -3.537 5.759 1.00 44.53 H new ATOM 0 HB2 LEU A 5 -12.413 -3.094 8.358 1.00 1.15 H new ATOM 0 HB3 LEU A 5 -11.067 -2.136 7.772 1.00 1.15 H new ATOM 0 HG LEU A 5 -13.793 -2.341 6.445 1.00 4.10 H new ATOM 0 HD11 LEU A 5 -14.085 -0.003 7.165 1.00 44.50 H new ATOM 0 HD12 LEU A 5 -13.893 -1.104 8.549 1.00 44.50 H new ATOM 0 HD13 LEU A 5 -12.532 -0.081 8.031 1.00 44.50 H new ATOM 0 HD21 LEU A 5 -12.992 -0.502 5.005 1.00 13.03 H new ATOM 0 HD22 LEU A 5 -11.389 -0.610 5.771 1.00 13.03 H new ATOM 0 HD23 LEU A 5 -12.009 -1.973 4.809 1.00 13.03 H new ATOM 88 N VAL A 6 -11.141 -5.578 8.354 1.00 71.43 N ATOM 89 CA VAL A 6 -10.392 -6.488 9.230 1.00 62.35 C ATOM 90 C VAL A 6 -9.491 -7.449 8.430 1.00 62.01 C ATOM 91 O VAL A 6 -8.305 -7.596 8.731 1.00 22.25 O ATOM 92 CB VAL A 6 -11.358 -7.313 10.125 1.00 45.11 C ATOM 93 CG1 VAL A 6 -10.607 -8.339 10.969 1.00 74.25 C ATOM 94 CG2 VAL A 6 -12.183 -6.392 11.019 1.00 32.23 C ATOM 0 H VAL A 6 -12.150 -5.592 8.504 1.00 71.43 H new ATOM 0 HA VAL A 6 -9.755 -5.865 9.858 1.00 62.35 H new ATOM 0 HB VAL A 6 -12.032 -7.857 9.463 1.00 45.11 H new ATOM 0 HG11 VAL A 6 -11.316 -8.896 11.581 1.00 74.25 H new ATOM 0 HG12 VAL A 6 -10.073 -9.028 10.314 1.00 74.25 H new ATOM 0 HG13 VAL A 6 -9.894 -7.827 11.615 1.00 74.25 H new ATOM 0 HG21 VAL A 6 -12.853 -6.990 11.637 1.00 32.23 H new ATOM 0 HG22 VAL A 6 -11.517 -5.814 11.659 1.00 32.23 H new ATOM 0 HG23 VAL A 6 -12.770 -5.714 10.400 1.00 32.23 H new ATOM 104 N GLN A 7 -10.055 -8.091 7.406 1.00 3.20 N ATOM 105 CA GLN A 7 -9.314 -9.075 6.609 1.00 34.01 C ATOM 106 C GLN A 7 -8.200 -8.436 5.760 1.00 61.52 C ATOM 107 O GLN A 7 -7.051 -8.883 5.804 1.00 72.01 O ATOM 108 CB GLN A 7 -10.276 -9.863 5.715 1.00 22.52 C ATOM 109 CG GLN A 7 -11.229 -10.772 6.486 1.00 3.21 C ATOM 110 CD GLN A 7 -10.502 -11.806 7.329 1.00 14.42 C ATOM 111 OE1 GLN A 7 -10.196 -12.899 6.870 1.00 2.24 O ATOM 112 NE2 GLN A 7 -10.234 -11.475 8.576 1.00 34.12 N ATOM 0 H GLN A 7 -11.020 -7.949 7.108 1.00 3.20 H new ATOM 0 HA GLN A 7 -8.828 -9.753 7.311 1.00 34.01 H new ATOM 0 HB2 GLN A 7 -10.860 -9.162 5.119 1.00 22.52 H new ATOM 0 HB3 GLN A 7 -9.696 -10.468 5.018 1.00 22.52 H new ATOM 0 HG2 GLN A 7 -11.862 -10.163 7.132 1.00 3.21 H new ATOM 0 HG3 GLN A 7 -11.887 -11.281 5.782 1.00 3.21 H new ATOM 0 HE21 GLN A 7 -10.502 -10.556 8.929 1.00 34.12 H new ATOM 0 HE22 GLN A 7 -9.758 -12.138 9.189 1.00 34.12 H new ATOM 121 N ILE A 8 -8.531 -7.401 4.987 1.00 21.32 N ATOM 122 CA ILE A 8 -7.532 -6.749 4.127 1.00 43.34 C ATOM 123 C ILE A 8 -6.352 -6.201 4.953 1.00 2.52 C ATOM 124 O ILE A 8 -5.192 -6.345 4.566 1.00 61.31 O ATOM 125 CB ILE A 8 -8.149 -5.616 3.259 1.00 50.15 C ATOM 126 CG1 ILE A 8 -8.766 -4.514 4.139 1.00 61.31 C ATOM 127 CG2 ILE A 8 -9.193 -6.194 2.297 1.00 11.35 C ATOM 128 CD1 ILE A 8 -9.377 -3.368 3.354 1.00 21.00 C ATOM 0 H ILE A 8 -9.467 -6.998 4.935 1.00 21.32 H new ATOM 0 HA ILE A 8 -7.159 -7.519 3.451 1.00 43.34 H new ATOM 0 HB ILE A 8 -7.350 -5.161 2.673 1.00 50.15 H new ATOM 0 HG12 ILE A 8 -9.534 -4.957 4.773 1.00 61.31 H new ATOM 0 HG13 ILE A 8 -7.996 -4.118 4.801 1.00 61.31 H new ATOM 0 HG21 ILE A 8 -9.617 -5.390 1.695 1.00 11.35 H new ATOM 0 HG22 ILE A 8 -8.719 -6.926 1.643 1.00 11.35 H new ATOM 0 HG23 ILE A 8 -9.986 -6.677 2.868 1.00 11.35 H new ATOM 0 HD11 ILE A 8 -9.790 -2.633 4.045 1.00 21.00 H new ATOM 0 HD12 ILE A 8 -8.609 -2.897 2.740 1.00 21.00 H new ATOM 0 HD13 ILE A 8 -10.171 -3.749 2.712 1.00 21.00 H new ATOM 140 N PHE A 9 -6.653 -5.599 6.105 1.00 1.31 N ATOM 141 CA PHE A 9 -5.608 -5.141 7.029 1.00 71.33 C ATOM 142 C PHE A 9 -4.802 -6.335 7.569 1.00 12.43 C ATOM 143 O PHE A 9 -3.570 -6.305 7.610 1.00 24.14 O ATOM 144 CB PHE A 9 -6.222 -4.351 8.197 1.00 23.22 C ATOM 145 CG PHE A 9 -6.943 -3.080 7.795 1.00 4.05 C ATOM 146 CD1 PHE A 9 -6.830 -2.559 6.509 1.00 41.30 C ATOM 147 CD2 PHE A 9 -7.734 -2.402 8.714 1.00 53.41 C ATOM 148 CE1 PHE A 9 -7.489 -1.397 6.155 1.00 44.25 C ATOM 149 CE2 PHE A 9 -8.392 -1.239 8.360 1.00 54.54 C ATOM 150 CZ PHE A 9 -8.270 -0.736 7.080 1.00 31.34 C ATOM 0 H PHE A 9 -7.605 -5.417 6.421 1.00 1.31 H new ATOM 0 HA PHE A 9 -4.936 -4.483 6.478 1.00 71.33 H new ATOM 0 HB2 PHE A 9 -6.922 -4.997 8.726 1.00 23.22 H new ATOM 0 HB3 PHE A 9 -5.430 -4.096 8.901 1.00 23.22 H new ATOM 0 HD1 PHE A 9 -6.220 -3.069 5.779 1.00 41.30 H new ATOM 0 HD2 PHE A 9 -7.836 -2.788 9.717 1.00 53.41 H new ATOM 0 HE1 PHE A 9 -7.392 -1.006 5.153 1.00 44.25 H new ATOM 0 HE2 PHE A 9 -9.003 -0.723 9.086 1.00 54.54 H new ATOM 0 HZ PHE A 9 -8.785 0.172 6.804 1.00 31.34 H new ATOM 160 N ALA A 10 -5.512 -7.398 7.955 1.00 41.43 N ATOM 161 CA ALA A 10 -4.880 -8.619 8.472 1.00 21.13 C ATOM 162 C ALA A 10 -3.892 -9.235 7.468 1.00 33.55 C ATOM 163 O ALA A 10 -3.032 -10.029 7.846 1.00 43.33 O ATOM 164 CB ALA A 10 -5.942 -9.642 8.854 1.00 73.24 C ATOM 0 H ALA A 10 -6.531 -7.439 7.920 1.00 41.43 H new ATOM 0 HA ALA A 10 -4.311 -8.336 9.357 1.00 21.13 H new ATOM 0 HB1 ALA A 10 -5.460 -10.542 9.236 1.00 73.24 H new ATOM 0 HB2 ALA A 10 -6.590 -9.223 9.624 1.00 73.24 H new ATOM 0 HB3 ALA A 10 -6.537 -9.894 7.976 1.00 73.24 H new ATOM 170 N VAL A 11 -4.032 -8.888 6.187 1.00 32.45 N ATOM 171 CA VAL A 11 -3.077 -9.321 5.158 1.00 31.45 C ATOM 172 C VAL A 11 -1.853 -8.386 5.111 1.00 34.11 C ATOM 173 O VAL A 11 -0.709 -8.841 5.050 1.00 13.10 O ATOM 174 CB VAL A 11 -3.737 -9.373 3.754 1.00 14.34 C ATOM 175 CG1 VAL A 11 -2.741 -9.845 2.697 1.00 65.34 C ATOM 176 CG2 VAL A 11 -4.972 -10.273 3.771 1.00 13.44 C ATOM 0 H VAL A 11 -4.795 -8.310 5.835 1.00 32.45 H new ATOM 0 HA VAL A 11 -2.752 -10.325 5.429 1.00 31.45 H new ATOM 0 HB VAL A 11 -4.052 -8.363 3.493 1.00 14.34 H new ATOM 0 HG11 VAL A 11 -3.230 -9.872 1.723 1.00 65.34 H new ATOM 0 HG12 VAL A 11 -1.896 -9.157 2.660 1.00 65.34 H new ATOM 0 HG13 VAL A 11 -2.385 -10.843 2.952 1.00 65.34 H new ATOM 0 HG21 VAL A 11 -5.419 -10.296 2.777 1.00 13.44 H new ATOM 0 HG22 VAL A 11 -4.682 -11.283 4.062 1.00 13.44 H new ATOM 0 HG23 VAL A 11 -5.696 -9.883 4.486 1.00 13.44 H new ATOM 186 N ILE A 12 -2.106 -7.081 5.170 1.00 62.54 N ATOM 187 CA ILE A 12 -1.046 -6.065 5.077 1.00 71.22 C ATOM 188 C ILE A 12 -0.006 -6.183 6.216 1.00 42.33 C ATOM 189 O ILE A 12 1.168 -5.862 6.025 1.00 75.21 O ATOM 190 CB ILE A 12 -1.654 -4.640 5.079 1.00 70.02 C ATOM 191 CG1 ILE A 12 -2.649 -4.489 3.919 1.00 32.44 C ATOM 192 CG2 ILE A 12 -0.559 -3.570 4.997 1.00 23.11 C ATOM 193 CD1 ILE A 12 -3.393 -3.172 3.913 1.00 53.12 C ATOM 0 H ILE A 12 -3.043 -6.694 5.283 1.00 62.54 H new ATOM 0 HA ILE A 12 -0.528 -6.245 4.135 1.00 71.22 H new ATOM 0 HB ILE A 12 -2.186 -4.497 6.019 1.00 70.02 H new ATOM 0 HG12 ILE A 12 -2.111 -4.595 2.977 1.00 32.44 H new ATOM 0 HG13 ILE A 12 -3.372 -5.303 3.966 1.00 32.44 H new ATOM 0 HG21 ILE A 12 -1.016 -2.581 5.000 1.00 23.11 H new ATOM 0 HG22 ILE A 12 0.107 -3.665 5.854 1.00 23.11 H new ATOM 0 HG23 ILE A 12 0.012 -3.703 4.078 1.00 23.11 H new ATOM 0 HD11 ILE A 12 -4.075 -3.144 3.064 1.00 53.12 H new ATOM 0 HD12 ILE A 12 -3.961 -3.071 4.838 1.00 53.12 H new ATOM 0 HD13 ILE A 12 -2.680 -2.352 3.833 1.00 53.12 H new ATOM 205 N HIS A 13 -0.434 -6.649 7.395 1.00 33.14 N ATOM 206 CA HIS A 13 0.484 -6.836 8.542 1.00 60.04 C ATOM 207 C HIS A 13 1.687 -7.744 8.204 1.00 21.41 C ATOM 208 O HIS A 13 2.696 -7.738 8.910 1.00 22.23 O ATOM 209 CB HIS A 13 -0.267 -7.416 9.755 1.00 22.21 C ATOM 210 CG HIS A 13 -1.186 -6.442 10.431 1.00 23.43 C ATOM 211 ND1 HIS A 13 -0.696 -5.411 11.194 1.00 43.24 N ATOM 212 CD2 HIS A 13 -2.539 -6.391 10.442 1.00 53.33 C ATOM 213 CE1 HIS A 13 -1.750 -4.761 11.649 1.00 5.00 C ATOM 214 NE2 HIS A 13 -2.891 -5.318 11.221 1.00 23.43 N ATOM 0 H HIS A 13 -1.403 -6.904 7.587 1.00 33.14 H new ATOM 0 HA HIS A 13 0.872 -5.847 8.785 1.00 60.04 H new ATOM 0 HB2 HIS A 13 -0.847 -8.280 9.430 1.00 22.21 H new ATOM 0 HB3 HIS A 13 0.462 -7.776 10.482 1.00 22.21 H new ATOM 0 HD2 HIS A 13 -3.212 -7.066 9.935 1.00 53.33 H new ATOM 0 HE1 HIS A 13 -1.700 -3.890 12.286 1.00 5.00 H new ATOM 0 HE2 HIS A 13 -3.838 -5.005 11.433 1.00 23.43 H new ATOM 222 N GLN A 14 1.583 -8.521 7.127 1.00 22.44 N ATOM 223 CA GLN A 14 2.652 -9.452 6.736 1.00 24.04 C ATOM 224 C GLN A 14 3.658 -8.809 5.764 1.00 63.44 C ATOM 225 O GLN A 14 4.629 -9.452 5.354 1.00 4.12 O ATOM 226 CB GLN A 14 2.051 -10.725 6.113 1.00 5.11 C ATOM 227 CG GLN A 14 1.477 -11.715 7.128 1.00 41.14 C ATOM 228 CD GLN A 14 0.343 -11.145 7.966 1.00 54.21 C ATOM 229 OE1 GLN A 14 0.182 -11.483 9.133 1.00 74.02 O ATOM 230 NE2 GLN A 14 -0.478 -10.306 7.375 1.00 13.22 N ATOM 0 H GLN A 14 0.773 -8.528 6.508 1.00 22.44 H new ATOM 0 HA GLN A 14 3.198 -9.715 7.642 1.00 24.04 H new ATOM 0 HB2 GLN A 14 1.262 -10.437 5.418 1.00 5.11 H new ATOM 0 HB3 GLN A 14 2.822 -11.228 5.529 1.00 5.11 H new ATOM 0 HG2 GLN A 14 1.117 -12.597 6.598 1.00 41.14 H new ATOM 0 HG3 GLN A 14 2.276 -12.046 7.791 1.00 41.14 H new ATOM 0 HE21 GLN A 14 -0.323 -10.040 6.403 1.00 13.22 H new ATOM 0 HE22 GLN A 14 -1.271 -9.921 7.889 1.00 13.22 H new ATOM 239 N ILE A 15 3.429 -7.548 5.402 1.00 12.52 N ATOM 240 CA ILE A 15 4.341 -6.816 4.512 1.00 74.33 C ATOM 241 C ILE A 15 5.466 -6.134 5.317 1.00 64.33 C ATOM 242 O ILE A 15 5.206 -5.217 6.100 1.00 63.03 O ATOM 243 CB ILE A 15 3.582 -5.742 3.693 1.00 14.00 C ATOM 244 CG1 ILE A 15 2.412 -6.378 2.921 1.00 23.00 C ATOM 245 CG2 ILE A 15 4.535 -5.025 2.735 1.00 61.23 C ATOM 246 CD1 ILE A 15 1.560 -5.374 2.174 1.00 13.44 C ATOM 0 H ILE A 15 2.620 -7.008 5.709 1.00 12.52 H new ATOM 0 HA ILE A 15 4.776 -7.544 3.828 1.00 74.33 H new ATOM 0 HB ILE A 15 3.174 -5.005 4.385 1.00 14.00 H new ATOM 0 HG12 ILE A 15 2.808 -7.104 2.212 1.00 23.00 H new ATOM 0 HG13 ILE A 15 1.782 -6.927 3.621 1.00 23.00 H new ATOM 0 HG21 ILE A 15 3.984 -4.274 2.168 1.00 61.23 H new ATOM 0 HG22 ILE A 15 5.327 -4.540 3.305 1.00 61.23 H new ATOM 0 HG23 ILE A 15 4.973 -5.749 2.048 1.00 61.23 H new ATOM 0 HD11 ILE A 15 0.756 -5.895 1.654 1.00 13.44 H new ATOM 0 HD12 ILE A 15 1.134 -4.662 2.880 1.00 13.44 H new ATOM 0 HD13 ILE A 15 2.176 -4.842 1.449 1.00 13.44 H new ATOM 258 N PRO A 16 6.729 -6.575 5.141 1.00 22.11 N ATOM 259 CA PRO A 16 7.873 -6.036 5.898 1.00 75.03 C ATOM 260 C PRO A 16 8.370 -4.669 5.388 1.00 44.01 C ATOM 261 O PRO A 16 7.967 -4.201 4.320 1.00 52.13 O ATOM 262 CB PRO A 16 8.949 -7.109 5.692 1.00 43.34 C ATOM 263 CG PRO A 16 8.643 -7.699 4.356 1.00 50.21 C ATOM 264 CD PRO A 16 7.143 -7.635 4.197 1.00 42.41 C ATOM 0 HA PRO A 16 7.609 -5.846 6.938 1.00 75.03 H new ATOM 0 HB2 PRO A 16 9.949 -6.676 5.714 1.00 43.34 H new ATOM 0 HB3 PRO A 16 8.911 -7.864 6.477 1.00 43.34 H new ATOM 0 HG2 PRO A 16 9.142 -7.143 3.562 1.00 50.21 H new ATOM 0 HG3 PRO A 16 8.997 -8.728 4.295 1.00 50.21 H new ATOM 0 HD2 PRO A 16 6.860 -7.391 3.173 1.00 42.41 H new ATOM 0 HD3 PRO A 16 6.675 -8.589 4.438 1.00 42.41 H new ATOM 272 N LYS A 17 9.267 -4.046 6.157 1.00 52.11 N ATOM 273 CA LYS A 17 9.835 -2.742 5.798 1.00 2.33 C ATOM 274 C LYS A 17 10.604 -2.816 4.467 1.00 73.31 C ATOM 275 O LYS A 17 11.437 -3.705 4.269 1.00 2.22 O ATOM 276 CB LYS A 17 10.776 -2.243 6.907 1.00 14.11 C ATOM 277 CG LYS A 17 11.309 -0.828 6.671 1.00 42.44 C ATOM 278 CD LYS A 17 12.399 -0.445 7.672 1.00 62.21 C ATOM 279 CE LYS A 17 12.880 0.994 7.476 1.00 71.23 C ATOM 280 NZ LYS A 17 11.868 1.993 7.913 1.00 44.43 N ATOM 0 H LYS A 17 9.617 -4.425 7.037 1.00 52.11 H new ATOM 0 HA LYS A 17 9.007 -2.042 5.683 1.00 2.33 H new ATOM 0 HB2 LYS A 17 10.246 -2.268 7.859 1.00 14.11 H new ATOM 0 HB3 LYS A 17 11.618 -2.929 6.993 1.00 14.11 H new ATOM 0 HG2 LYS A 17 11.707 -0.756 5.659 1.00 42.44 H new ATOM 0 HG3 LYS A 17 10.487 -0.116 6.742 1.00 42.44 H new ATOM 0 HD2 LYS A 17 12.018 -0.564 8.686 1.00 62.21 H new ATOM 0 HD3 LYS A 17 13.243 -1.127 7.567 1.00 62.21 H new ATOM 0 HE2 LYS A 17 13.802 1.146 8.037 1.00 71.23 H new ATOM 0 HE3 LYS A 17 13.116 1.156 6.424 1.00 71.23 H new ATOM 0 HZ1 LYS A 17 12.030 2.892 7.416 1.00 44.43 H new ATOM 0 HZ2 LYS A 17 10.915 1.642 7.691 1.00 44.43 H new ATOM 0 HZ3 LYS A 17 11.950 2.145 8.939 1.00 44.43 H new ATOM 294 N GLY A 18 10.316 -1.888 3.560 1.00 15.33 N ATOM 295 CA GLY A 18 11.014 -1.845 2.281 1.00 12.01 C ATOM 296 C GLY A 18 10.346 -2.676 1.190 1.00 3.23 C ATOM 297 O GLY A 18 10.869 -2.781 0.082 1.00 54.33 O ATOM 0 H GLY A 18 9.611 -1.162 3.685 1.00 15.33 H new ATOM 0 HA2 GLY A 18 11.080 -0.809 1.948 1.00 12.01 H new ATOM 0 HA3 GLY A 18 12.035 -2.200 2.422 1.00 12.01 H new ATOM 301 N LYS A 19 9.199 -3.281 1.499 1.00 24.54 N ATOM 302 CA LYS A 19 8.438 -4.048 0.504 1.00 15.24 C ATOM 303 C LYS A 19 7.021 -3.476 0.321 1.00 63.51 C ATOM 304 O LYS A 19 6.433 -2.930 1.256 1.00 62.01 O ATOM 305 CB LYS A 19 8.373 -5.528 0.911 1.00 21.42 C ATOM 306 CG LYS A 19 9.743 -6.194 1.033 1.00 11.01 C ATOM 307 CD LYS A 19 10.522 -6.143 -0.281 1.00 30.51 C ATOM 308 CE LYS A 19 11.897 -6.792 -0.152 1.00 51.44 C ATOM 309 NZ LYS A 19 12.745 -6.130 0.880 1.00 53.43 N ATOM 0 H LYS A 19 8.775 -3.257 2.426 1.00 24.54 H new ATOM 0 HA LYS A 19 8.955 -3.967 -0.452 1.00 15.24 H new ATOM 0 HB2 LYS A 19 7.853 -5.610 1.865 1.00 21.42 H new ATOM 0 HB3 LYS A 19 7.779 -6.072 0.176 1.00 21.42 H new ATOM 0 HG2 LYS A 19 10.319 -5.699 1.815 1.00 11.01 H new ATOM 0 HG3 LYS A 19 9.616 -7.232 1.339 1.00 11.01 H new ATOM 0 HD2 LYS A 19 9.953 -6.650 -1.060 1.00 30.51 H new ATOM 0 HD3 LYS A 19 10.638 -5.105 -0.594 1.00 30.51 H new ATOM 0 HE2 LYS A 19 11.776 -7.845 0.102 1.00 51.44 H new ATOM 0 HE3 LYS A 19 12.406 -6.753 -1.115 1.00 51.44 H new ATOM 0 HZ1 LYS A 19 13.725 -6.466 0.792 1.00 53.43 H new ATOM 0 HZ2 LYS A 19 12.719 -5.100 0.742 1.00 53.43 H new ATOM 0 HZ3 LYS A 19 12.383 -6.362 1.827 1.00 53.43 H new ATOM 323 N VAL A 20 6.487 -3.595 -0.895 1.00 22.54 N ATOM 324 CA VAL A 20 5.146 -3.088 -1.220 1.00 21.02 C ATOM 325 C VAL A 20 4.276 -4.160 -1.895 1.00 14.42 C ATOM 326 O VAL A 20 4.783 -5.119 -2.480 1.00 63.14 O ATOM 327 CB VAL A 20 5.213 -1.845 -2.150 1.00 42.12 C ATOM 328 CG1 VAL A 20 5.920 -0.681 -1.456 1.00 71.21 C ATOM 329 CG2 VAL A 20 5.897 -2.190 -3.476 1.00 32.25 C ATOM 0 H VAL A 20 6.964 -4.041 -1.679 1.00 22.54 H new ATOM 0 HA VAL A 20 4.693 -2.806 -0.270 1.00 21.02 H new ATOM 0 HB VAL A 20 4.192 -1.534 -2.370 1.00 42.12 H new ATOM 0 HG11 VAL A 20 5.954 0.177 -2.128 1.00 71.21 H new ATOM 0 HG12 VAL A 20 5.375 -0.412 -0.551 1.00 71.21 H new ATOM 0 HG13 VAL A 20 6.936 -0.977 -1.194 1.00 71.21 H new ATOM 0 HG21 VAL A 20 5.931 -1.303 -4.109 1.00 32.25 H new ATOM 0 HG22 VAL A 20 6.912 -2.537 -3.282 1.00 32.25 H new ATOM 0 HG23 VAL A 20 5.335 -2.975 -3.982 1.00 32.25 H new ATOM 339 N SER A 21 2.960 -3.988 -1.807 1.00 35.40 N ATOM 340 CA SER A 21 2.003 -4.888 -2.477 1.00 22.42 C ATOM 341 C SER A 21 0.928 -4.085 -3.218 1.00 1.32 C ATOM 342 O SER A 21 0.753 -2.892 -2.967 1.00 31.43 O ATOM 343 CB SER A 21 1.330 -5.822 -1.461 1.00 2.42 C ATOM 344 OG SER A 21 2.284 -6.598 -0.759 1.00 42.21 O ATOM 0 H SER A 21 2.523 -3.233 -1.278 1.00 35.40 H new ATOM 0 HA SER A 21 2.561 -5.486 -3.197 1.00 22.42 H new ATOM 0 HB2 SER A 21 0.747 -5.232 -0.753 1.00 2.42 H new ATOM 0 HB3 SER A 21 0.632 -6.481 -1.977 1.00 2.42 H new ATOM 0 HG SER A 21 2.878 -6.006 -0.252 1.00 42.21 H new ATOM 350 N THR A 22 0.209 -4.731 -4.131 1.00 25.32 N ATOM 351 CA THR A 22 -0.874 -4.061 -4.867 1.00 2.11 C ATOM 352 C THR A 22 -2.233 -4.280 -4.187 1.00 52.23 C ATOM 353 O THR A 22 -2.462 -5.314 -3.554 1.00 2.24 O ATOM 354 CB THR A 22 -0.968 -4.552 -6.332 1.00 33.42 C ATOM 355 OG1 THR A 22 -1.375 -5.929 -6.374 1.00 31.41 O ATOM 356 CG2 THR A 22 0.373 -4.400 -7.046 1.00 62.00 C ATOM 0 H THR A 22 0.350 -5.710 -4.382 1.00 25.32 H new ATOM 0 HA THR A 22 -0.631 -2.999 -4.863 1.00 2.11 H new ATOM 0 HB THR A 22 -1.711 -3.938 -6.841 1.00 33.42 H new ATOM 0 HG1 THR A 22 -1.432 -6.225 -7.306 1.00 31.41 H new ATOM 0 HG21 THR A 22 0.280 -4.752 -8.073 1.00 62.00 H new ATOM 0 HG22 THR A 22 0.668 -3.351 -7.047 1.00 62.00 H new ATOM 0 HG23 THR A 22 1.130 -4.989 -6.528 1.00 62.00 H new ATOM 364 N TYR A 23 -3.132 -3.297 -4.317 1.00 74.32 N ATOM 365 CA TYR A 23 -4.493 -3.406 -3.762 1.00 1.43 C ATOM 366 C TYR A 23 -5.167 -4.719 -4.196 1.00 45.10 C ATOM 367 O TYR A 23 -5.880 -5.353 -3.414 1.00 40.01 O ATOM 368 CB TYR A 23 -5.361 -2.220 -4.210 1.00 75.10 C ATOM 369 CG TYR A 23 -4.818 -0.856 -3.825 1.00 43.14 C ATOM 370 CD1 TYR A 23 -4.665 -0.492 -2.492 1.00 24.34 C ATOM 371 CD2 TYR A 23 -4.463 0.073 -4.799 1.00 10.31 C ATOM 372 CE1 TYR A 23 -4.171 0.752 -2.142 1.00 71.34 C ATOM 373 CE2 TYR A 23 -3.971 1.316 -4.456 1.00 14.31 C ATOM 374 CZ TYR A 23 -3.826 1.652 -3.129 1.00 14.15 C ATOM 375 OH TYR A 23 -3.336 2.893 -2.790 1.00 45.22 O ATOM 0 H TYR A 23 -2.945 -2.418 -4.800 1.00 74.32 H new ATOM 0 HA TYR A 23 -4.402 -3.397 -2.676 1.00 1.43 H new ATOM 0 HB2 TYR A 23 -5.474 -2.259 -5.293 1.00 75.10 H new ATOM 0 HB3 TYR A 23 -6.357 -2.334 -3.782 1.00 75.10 H new ATOM 0 HD1 TYR A 23 -4.937 -1.193 -1.716 1.00 24.34 H new ATOM 0 HD2 TYR A 23 -4.575 -0.184 -5.842 1.00 10.31 H new ATOM 0 HE1 TYR A 23 -4.056 1.017 -1.101 1.00 71.34 H new ATOM 0 HE2 TYR A 23 -3.701 2.023 -5.226 1.00 14.31 H new ATOM 0 HH TYR A 23 -2.511 3.067 -3.290 1.00 45.22 H new ATOM 385 N GLY A 24 -4.934 -5.114 -5.452 1.00 2.31 N ATOM 386 CA GLY A 24 -5.498 -6.353 -5.978 1.00 20.41 C ATOM 387 C GLY A 24 -5.066 -7.583 -5.188 1.00 52.14 C ATOM 388 O GLY A 24 -5.900 -8.413 -4.820 1.00 72.51 O ATOM 0 H GLY A 24 -4.361 -4.594 -6.117 1.00 2.31 H new ATOM 0 HA2 GLY A 24 -6.586 -6.284 -5.968 1.00 20.41 H new ATOM 0 HA3 GLY A 24 -5.196 -6.471 -7.019 1.00 20.41 H new ATOM 392 N GLU A 25 -3.765 -7.696 -4.918 1.00 14.35 N ATOM 393 CA GLU A 25 -3.226 -8.821 -4.144 1.00 41.22 C ATOM 394 C GLU A 25 -3.843 -8.887 -2.744 1.00 55.10 C ATOM 395 O GLU A 25 -4.415 -9.905 -2.357 1.00 53.52 O ATOM 396 CB GLU A 25 -1.701 -8.711 -4.034 1.00 32.22 C ATOM 397 CG GLU A 25 -0.989 -8.866 -5.369 1.00 54.13 C ATOM 398 CD GLU A 25 0.516 -8.679 -5.271 1.00 52.42 C ATOM 399 OE1 GLU A 25 0.987 -7.522 -5.368 1.00 30.11 O ATOM 400 OE2 GLU A 25 1.237 -9.690 -5.124 1.00 3.53 O ATOM 0 H GLU A 25 -3.062 -7.023 -5.223 1.00 14.35 H new ATOM 0 HA GLU A 25 -3.485 -9.738 -4.673 1.00 41.22 H new ATOM 0 HB2 GLU A 25 -1.444 -7.744 -3.603 1.00 32.22 H new ATOM 0 HB3 GLU A 25 -1.337 -9.474 -3.345 1.00 32.22 H new ATOM 0 HG2 GLU A 25 -1.200 -9.856 -5.773 1.00 54.13 H new ATOM 0 HG3 GLU A 25 -1.393 -8.141 -6.075 1.00 54.13 H new ATOM 407 N ILE A 26 -3.736 -7.788 -1.999 1.00 33.51 N ATOM 408 CA ILE A 26 -4.245 -7.721 -0.623 1.00 75.40 C ATOM 409 C ILE A 26 -5.727 -8.133 -0.541 1.00 11.33 C ATOM 410 O ILE A 26 -6.106 -8.985 0.270 1.00 52.14 O ATOM 411 CB ILE A 26 -4.076 -6.293 -0.038 1.00 23.32 C ATOM 412 CG1 ILE A 26 -2.591 -5.880 -0.052 1.00 34.12 C ATOM 413 CG2 ILE A 26 -4.650 -6.210 1.379 1.00 15.02 C ATOM 414 CD1 ILE A 26 -1.695 -6.785 0.770 1.00 13.11 C ATOM 0 H ILE A 26 -3.299 -6.925 -2.324 1.00 33.51 H new ATOM 0 HA ILE A 26 -3.657 -8.425 -0.035 1.00 75.40 H new ATOM 0 HB ILE A 26 -4.634 -5.598 -0.665 1.00 23.32 H new ATOM 0 HG12 ILE A 26 -2.236 -5.872 -1.082 1.00 34.12 H new ATOM 0 HG13 ILE A 26 -2.504 -4.860 0.323 1.00 34.12 H new ATOM 0 HG21 ILE A 26 -4.519 -5.199 1.766 1.00 15.02 H new ATOM 0 HG22 ILE A 26 -5.712 -6.455 1.356 1.00 15.02 H new ATOM 0 HG23 ILE A 26 -4.128 -6.916 2.025 1.00 15.02 H new ATOM 0 HD11 ILE A 26 -0.666 -6.430 0.711 1.00 13.11 H new ATOM 0 HD12 ILE A 26 -2.023 -6.775 1.809 1.00 13.11 H new ATOM 0 HD13 ILE A 26 -1.751 -7.802 0.382 1.00 13.11 H new ATOM 426 N ALA A 27 -6.556 -7.536 -1.395 1.00 64.43 N ATOM 427 CA ALA A 27 -7.990 -7.851 -1.428 1.00 64.33 C ATOM 428 C ALA A 27 -8.245 -9.310 -1.843 1.00 54.24 C ATOM 429 O ALA A 27 -9.038 -10.016 -1.218 1.00 71.41 O ATOM 430 CB ALA A 27 -8.717 -6.896 -2.368 1.00 34.33 C ATOM 0 H ALA A 27 -6.264 -6.833 -2.073 1.00 64.43 H new ATOM 0 HA ALA A 27 -8.380 -7.725 -0.418 1.00 64.33 H new ATOM 0 HB1 ALA A 27 -9.779 -7.140 -2.384 1.00 34.33 H new ATOM 0 HB2 ALA A 27 -8.585 -5.872 -2.020 1.00 34.33 H new ATOM 0 HB3 ALA A 27 -8.307 -6.993 -3.373 1.00 34.33 H new ATOM 436 N LYS A 28 -7.557 -9.759 -2.894 1.00 11.11 N ATOM 437 CA LYS A 28 -7.744 -11.116 -3.422 1.00 51.44 C ATOM 438 C LYS A 28 -7.314 -12.182 -2.397 1.00 53.25 C ATOM 439 O LYS A 28 -7.929 -13.242 -2.299 1.00 42.45 O ATOM 440 CB LYS A 28 -6.962 -11.284 -4.735 1.00 34.21 C ATOM 441 CG LYS A 28 -7.312 -12.554 -5.505 1.00 33.41 C ATOM 442 CD LYS A 28 -6.564 -12.626 -6.835 1.00 44.02 C ATOM 443 CE LYS A 28 -6.976 -13.839 -7.662 1.00 35.25 C ATOM 444 NZ LYS A 28 -8.410 -13.790 -8.053 1.00 75.32 N ATOM 0 H LYS A 28 -6.865 -9.205 -3.398 1.00 11.11 H new ATOM 0 HA LYS A 28 -8.806 -11.259 -3.621 1.00 51.44 H new ATOM 0 HB2 LYS A 28 -7.152 -10.420 -5.372 1.00 34.21 H new ATOM 0 HB3 LYS A 28 -5.895 -11.288 -4.513 1.00 34.21 H new ATOM 0 HG2 LYS A 28 -7.066 -13.427 -4.900 1.00 33.41 H new ATOM 0 HG3 LYS A 28 -8.386 -12.585 -5.688 1.00 33.41 H new ATOM 0 HD2 LYS A 28 -6.754 -11.717 -7.406 1.00 44.02 H new ATOM 0 HD3 LYS A 28 -5.491 -12.665 -6.645 1.00 44.02 H new ATOM 0 HE2 LYS A 28 -6.358 -13.893 -8.558 1.00 35.25 H new ATOM 0 HE3 LYS A 28 -6.788 -14.748 -7.090 1.00 35.25 H new ATOM 0 HZ1 LYS A 28 -8.591 -14.493 -8.798 1.00 75.32 H new ATOM 0 HZ2 LYS A 28 -9.003 -14.003 -7.225 1.00 75.32 H new ATOM 0 HZ3 LYS A 28 -8.640 -12.840 -8.409 1.00 75.32 H new ATOM 458 N MET A 29 -6.260 -11.888 -1.631 1.00 5.43 N ATOM 459 CA MET A 29 -5.801 -12.787 -0.560 1.00 33.22 C ATOM 460 C MET A 29 -6.822 -12.836 0.584 1.00 22.40 C ATOM 461 O MET A 29 -7.135 -13.907 1.113 1.00 63.53 O ATOM 462 CB MET A 29 -4.437 -12.333 -0.013 1.00 1.43 C ATOM 463 CG MET A 29 -3.304 -12.412 -1.024 1.00 2.22 C ATOM 464 SD MET A 29 -1.716 -11.942 -0.310 1.00 44.51 S ATOM 465 CE MET A 29 -0.665 -11.946 -1.759 1.00 10.11 C ATOM 0 H MET A 29 -5.707 -11.037 -1.730 1.00 5.43 H new ATOM 0 HA MET A 29 -5.698 -13.785 -0.986 1.00 33.22 H new ATOM 0 HB2 MET A 29 -4.523 -11.305 0.340 1.00 1.43 H new ATOM 0 HB3 MET A 29 -4.182 -12.947 0.851 1.00 1.43 H new ATOM 0 HG2 MET A 29 -3.238 -13.428 -1.414 1.00 2.22 H new ATOM 0 HG3 MET A 29 -3.527 -11.760 -1.869 1.00 2.22 H new ATOM 0 HE1 MET A 29 0.133 -11.215 -1.632 1.00 10.11 H new ATOM 0 HE2 MET A 29 -0.231 -12.937 -1.891 1.00 10.11 H new ATOM 0 HE3 MET A 29 -1.256 -11.688 -2.638 1.00 10.11 H new ATOM 475 N ALA A 30 -7.340 -11.666 0.956 1.00 44.41 N ATOM 476 CA ALA A 30 -8.349 -11.558 2.016 1.00 51.53 C ATOM 477 C ALA A 30 -9.674 -12.239 1.622 1.00 2.23 C ATOM 478 O ALA A 30 -10.471 -12.615 2.485 1.00 65.33 O ATOM 479 CB ALA A 30 -8.588 -10.090 2.355 1.00 14.22 C ATOM 0 H ALA A 30 -7.077 -10.773 0.538 1.00 44.41 H new ATOM 0 HA ALA A 30 -7.967 -12.077 2.895 1.00 51.53 H new ATOM 0 HB1 ALA A 30 -9.338 -10.016 3.142 1.00 14.22 H new ATOM 0 HB2 ALA A 30 -7.656 -9.639 2.697 1.00 14.22 H new ATOM 0 HB3 ALA A 30 -8.941 -9.564 1.468 1.00 14.22 H new ATOM 485 N GLY A 31 -9.904 -12.384 0.317 1.00 31.51 N ATOM 486 CA GLY A 31 -11.114 -13.042 -0.177 1.00 60.54 C ATOM 487 C GLY A 31 -12.154 -12.068 -0.723 1.00 51.43 C ATOM 488 O GLY A 31 -13.359 -12.320 -0.637 1.00 44.32 O ATOM 0 H GLY A 31 -9.272 -12.057 -0.414 1.00 31.51 H new ATOM 0 HA2 GLY A 31 -10.840 -13.747 -0.962 1.00 60.54 H new ATOM 0 HA3 GLY A 31 -11.559 -13.622 0.632 1.00 60.54 H new ATOM 492 N TYR A 32 -11.690 -10.953 -1.291 1.00 45.25 N ATOM 493 CA TYR A 32 -12.585 -9.936 -1.858 1.00 35.45 C ATOM 494 C TYR A 32 -12.164 -9.552 -3.294 1.00 22.33 C ATOM 495 O TYR A 32 -11.366 -8.629 -3.496 1.00 14.41 O ATOM 496 CB TYR A 32 -12.603 -8.692 -0.957 1.00 14.11 C ATOM 497 CG TYR A 32 -13.003 -8.987 0.478 1.00 25.41 C ATOM 498 CD1 TYR A 32 -14.335 -8.950 0.874 1.00 31.43 C ATOM 499 CD2 TYR A 32 -12.047 -9.310 1.434 1.00 61.54 C ATOM 500 CE1 TYR A 32 -14.702 -9.226 2.178 1.00 71.41 C ATOM 501 CE2 TYR A 32 -12.406 -9.586 2.740 1.00 1.24 C ATOM 502 CZ TYR A 32 -13.734 -9.543 3.109 1.00 61.42 C ATOM 503 OH TYR A 32 -14.093 -9.827 4.410 1.00 31.23 O ATOM 0 H TYR A 32 -10.698 -10.729 -1.372 1.00 45.25 H new ATOM 0 HA TYR A 32 -13.589 -10.358 -1.908 1.00 35.45 H new ATOM 0 HB2 TYR A 32 -11.614 -8.235 -0.963 1.00 14.11 H new ATOM 0 HB3 TYR A 32 -13.295 -7.961 -1.375 1.00 14.11 H new ATOM 0 HD1 TYR A 32 -15.097 -8.701 0.150 1.00 31.43 H new ATOM 0 HD2 TYR A 32 -11.005 -9.346 1.151 1.00 61.54 H new ATOM 0 HE1 TYR A 32 -15.742 -9.194 2.467 1.00 71.41 H new ATOM 0 HE2 TYR A 32 -11.649 -9.835 3.469 1.00 1.24 H new ATOM 0 HH TYR A 32 -13.444 -9.424 5.024 1.00 31.23 H new ATOM 513 N PRO A 33 -12.686 -10.268 -4.311 1.00 51.21 N ATOM 514 CA PRO A 33 -12.361 -10.013 -5.726 1.00 54.31 C ATOM 515 C PRO A 33 -13.027 -8.737 -6.280 1.00 12.20 C ATOM 516 O PRO A 33 -14.247 -8.574 -6.205 1.00 11.45 O ATOM 517 CB PRO A 33 -12.904 -11.263 -6.456 1.00 63.14 C ATOM 518 CG PRO A 33 -13.286 -12.229 -5.377 1.00 11.22 C ATOM 519 CD PRO A 33 -13.619 -11.395 -4.175 1.00 21.34 C ATOM 0 HA PRO A 33 -11.292 -9.849 -5.863 1.00 54.31 H new ATOM 0 HB2 PRO A 33 -13.763 -11.011 -7.078 1.00 63.14 H new ATOM 0 HB3 PRO A 33 -12.148 -11.691 -7.115 1.00 63.14 H new ATOM 0 HG2 PRO A 33 -14.140 -12.835 -5.680 1.00 11.22 H new ATOM 0 HG3 PRO A 33 -12.468 -12.916 -5.161 1.00 11.22 H new ATOM 0 HD2 PRO A 33 -14.658 -11.066 -4.183 1.00 21.34 H new ATOM 0 HD3 PRO A 33 -13.464 -11.942 -3.245 1.00 21.34 H new ATOM 527 N GLY A 34 -12.216 -7.834 -6.838 1.00 23.30 N ATOM 528 CA GLY A 34 -12.740 -6.599 -7.422 1.00 53.01 C ATOM 529 C GLY A 34 -12.748 -5.420 -6.452 1.00 24.53 C ATOM 530 O GLY A 34 -12.890 -4.267 -6.863 1.00 71.50 O ATOM 0 H GLY A 34 -11.203 -7.934 -6.897 1.00 23.30 H new ATOM 0 HA2 GLY A 34 -12.141 -6.337 -8.294 1.00 53.01 H new ATOM 0 HA3 GLY A 34 -13.756 -6.776 -7.774 1.00 53.01 H new ATOM 534 N TYR A 35 -12.568 -5.700 -5.162 1.00 50.35 N ATOM 535 CA TYR A 35 -12.622 -4.660 -4.126 1.00 13.31 C ATOM 536 C TYR A 35 -11.281 -3.927 -3.945 1.00 32.21 C ATOM 537 O TYR A 35 -11.118 -3.149 -3.006 1.00 15.50 O ATOM 538 CB TYR A 35 -13.071 -5.266 -2.790 1.00 63.32 C ATOM 539 CG TYR A 35 -14.545 -5.631 -2.742 1.00 45.25 C ATOM 540 CD1 TYR A 35 -15.505 -4.672 -2.430 1.00 31.31 C ATOM 541 CD2 TYR A 35 -14.977 -6.927 -3.003 1.00 12.35 C ATOM 542 CE1 TYR A 35 -16.849 -4.995 -2.385 1.00 71.40 C ATOM 543 CE2 TYR A 35 -16.320 -7.256 -2.958 1.00 40.41 C ATOM 544 CZ TYR A 35 -17.249 -6.286 -2.646 1.00 73.53 C ATOM 545 OH TYR A 35 -18.587 -6.609 -2.599 1.00 64.03 O ATOM 0 H TYR A 35 -12.383 -6.638 -4.805 1.00 50.35 H new ATOM 0 HA TYR A 35 -13.349 -3.920 -4.460 1.00 13.31 H new ATOM 0 HB2 TYR A 35 -12.479 -6.159 -2.591 1.00 63.32 H new ATOM 0 HB3 TYR A 35 -12.857 -4.557 -1.991 1.00 63.32 H new ATOM 0 HD1 TYR A 35 -15.195 -3.659 -2.220 1.00 31.31 H new ATOM 0 HD2 TYR A 35 -14.252 -7.690 -3.245 1.00 12.35 H new ATOM 0 HE1 TYR A 35 -17.581 -4.238 -2.146 1.00 71.40 H new ATOM 0 HE2 TYR A 35 -16.639 -8.267 -3.166 1.00 40.41 H new ATOM 0 HH TYR A 35 -18.702 -7.559 -2.809 1.00 64.03 H new ATOM 555 N ALA A 36 -10.340 -4.155 -4.858 1.00 52.24 N ATOM 556 CA ALA A 36 -9.016 -3.517 -4.801 1.00 51.33 C ATOM 557 C ALA A 36 -9.098 -1.994 -4.570 1.00 44.21 C ATOM 558 O ALA A 36 -8.470 -1.456 -3.654 1.00 31.23 O ATOM 559 CB ALA A 36 -8.254 -3.811 -6.085 1.00 22.43 C ATOM 0 H ALA A 36 -10.466 -4.781 -5.654 1.00 52.24 H new ATOM 0 HA ALA A 36 -8.488 -3.938 -3.945 1.00 51.33 H new ATOM 0 HB1 ALA A 36 -7.273 -3.338 -6.042 1.00 22.43 H new ATOM 0 HB2 ALA A 36 -8.133 -4.888 -6.198 1.00 22.43 H new ATOM 0 HB3 ALA A 36 -8.810 -3.418 -6.936 1.00 22.43 H new ATOM 565 N ARG A 37 -9.877 -1.300 -5.401 1.00 42.15 N ATOM 566 CA ARG A 37 -10.022 0.158 -5.282 1.00 73.22 C ATOM 567 C ARG A 37 -10.720 0.560 -3.969 1.00 13.33 C ATOM 568 O ARG A 37 -10.513 1.662 -3.453 1.00 61.54 O ATOM 569 CB ARG A 37 -10.782 0.729 -6.489 1.00 0.43 C ATOM 570 CG ARG A 37 -12.189 0.168 -6.688 1.00 20.12 C ATOM 571 CD ARG A 37 -12.858 0.783 -7.913 1.00 65.41 C ATOM 572 NE ARG A 37 -14.180 0.225 -8.175 1.00 42.13 N ATOM 573 CZ ARG A 37 -14.926 0.569 -9.190 1.00 5.50 C ATOM 574 NH1 ARG A 37 -14.507 1.444 -10.047 1.00 53.43 N ATOM 575 NH2 ARG A 37 -16.088 0.031 -9.347 1.00 64.12 N ATOM 0 H ARG A 37 -10.415 -1.717 -6.160 1.00 42.15 H new ATOM 0 HA ARG A 37 -9.018 0.583 -5.265 1.00 73.22 H new ATOM 0 HB2 ARG A 37 -10.851 1.811 -6.378 1.00 0.43 H new ATOM 0 HB3 ARG A 37 -10.200 0.538 -7.390 1.00 0.43 H new ATOM 0 HG2 ARG A 37 -12.139 -0.915 -6.802 1.00 20.12 H new ATOM 0 HG3 ARG A 37 -12.792 0.367 -5.802 1.00 20.12 H new ATOM 0 HD2 ARG A 37 -12.945 1.860 -7.771 1.00 65.41 H new ATOM 0 HD3 ARG A 37 -12.223 0.626 -8.785 1.00 65.41 H new ATOM 0 HE ARG A 37 -14.543 -0.475 -7.528 1.00 42.13 H new ATOM 0 HH11 ARG A 37 -13.588 1.871 -9.932 1.00 53.43 H new ATOM 0 HH12 ARG A 37 -15.096 1.707 -10.837 1.00 53.43 H new ATOM 0 HH21 ARG A 37 -16.423 -0.663 -8.679 1.00 64.12 H new ATOM 0 HH22 ARG A 37 -16.671 0.299 -10.140 1.00 64.12 H new ATOM 589 N HIS A 38 -11.542 -0.334 -3.428 1.00 73.01 N ATOM 590 CA HIS A 38 -12.214 -0.081 -2.152 1.00 42.20 C ATOM 591 C HIS A 38 -11.234 -0.222 -0.979 1.00 23.54 C ATOM 592 O HIS A 38 -11.353 0.470 0.032 1.00 3.41 O ATOM 593 CB HIS A 38 -13.410 -1.020 -1.984 1.00 34.13 C ATOM 594 CG HIS A 38 -14.467 -0.812 -3.025 1.00 4.31 C ATOM 595 ND1 HIS A 38 -15.235 0.322 -3.041 1.00 33.44 N ATOM 596 CD2 HIS A 38 -14.844 -1.615 -4.049 1.00 21.32 C ATOM 597 CE1 HIS A 38 -16.060 0.184 -4.062 1.00 73.24 C ATOM 598 NE2 HIS A 38 -15.859 -0.972 -4.703 1.00 54.50 N ATOM 0 H HIS A 38 -11.760 -1.237 -3.849 1.00 73.01 H new ATOM 0 HA HIS A 38 -12.583 0.945 -2.155 1.00 42.20 H new ATOM 0 HB2 HIS A 38 -13.063 -2.053 -2.027 1.00 34.13 H new ATOM 0 HB3 HIS A 38 -13.846 -0.871 -0.996 1.00 34.13 H new ATOM 0 HD2 HIS A 38 -14.424 -2.578 -4.301 1.00 21.32 H new ATOM 0 HE1 HIS A 38 -16.804 0.914 -4.344 1.00 73.24 H new ATOM 0 HE2 HIS A 38 -16.365 -1.309 -5.522 1.00 54.50 H new ATOM 606 N VAL A 39 -10.257 -1.118 -1.125 1.00 5.42 N ATOM 607 CA VAL A 39 -9.146 -1.204 -0.171 1.00 13.51 C ATOM 608 C VAL A 39 -8.388 0.131 -0.118 1.00 3.11 C ATOM 609 O VAL A 39 -8.000 0.604 0.952 1.00 0.53 O ATOM 610 CB VAL A 39 -8.166 -2.344 -0.547 1.00 62.43 C ATOM 611 CG1 VAL A 39 -6.996 -2.417 0.437 1.00 52.03 C ATOM 612 CG2 VAL A 39 -8.901 -3.683 -0.615 1.00 52.44 C ATOM 0 H VAL A 39 -10.210 -1.792 -1.889 1.00 5.42 H new ATOM 0 HA VAL A 39 -9.567 -1.423 0.810 1.00 13.51 H new ATOM 0 HB VAL A 39 -7.757 -2.124 -1.533 1.00 62.43 H new ATOM 0 HG11 VAL A 39 -6.326 -3.226 0.146 1.00 52.03 H new ATOM 0 HG12 VAL A 39 -6.451 -1.473 0.425 1.00 52.03 H new ATOM 0 HG13 VAL A 39 -7.376 -2.604 1.441 1.00 52.03 H new ATOM 0 HG21 VAL A 39 -8.197 -4.472 -0.880 1.00 52.44 H new ATOM 0 HG22 VAL A 39 -9.345 -3.904 0.356 1.00 52.44 H new ATOM 0 HG23 VAL A 39 -9.686 -3.629 -1.369 1.00 52.44 H new ATOM 622 N GLY A 40 -8.201 0.742 -1.291 1.00 54.21 N ATOM 623 CA GLY A 40 -7.609 2.076 -1.367 1.00 22.22 C ATOM 624 C GLY A 40 -8.396 3.118 -0.571 1.00 71.31 C ATOM 625 O GLY A 40 -7.810 3.957 0.116 1.00 34.45 O ATOM 0 H GLY A 40 -8.449 0.336 -2.193 1.00 54.21 H new ATOM 0 HA2 GLY A 40 -6.586 2.037 -0.994 1.00 22.22 H new ATOM 0 HA3 GLY A 40 -7.556 2.386 -2.411 1.00 22.22 H new ATOM 629 N LYS A 41 -9.730 3.059 -0.663 1.00 54.04 N ATOM 630 CA LYS A 41 -10.603 3.947 0.127 1.00 41.41 C ATOM 631 C LYS A 41 -10.323 3.807 1.633 1.00 71.22 C ATOM 632 O LYS A 41 -10.330 4.792 2.377 1.00 12.24 O ATOM 633 CB LYS A 41 -12.088 3.634 -0.128 1.00 12.20 C ATOM 634 CG LYS A 41 -12.558 3.848 -1.565 1.00 31.22 C ATOM 635 CD LYS A 41 -14.075 3.685 -1.677 1.00 62.30 C ATOM 636 CE LYS A 41 -14.573 3.829 -3.110 1.00 42.02 C ATOM 637 NZ LYS A 41 -14.092 2.721 -3.976 1.00 1.51 N ATOM 0 H LYS A 41 -10.230 2.411 -1.272 1.00 54.04 H new ATOM 0 HA LYS A 41 -10.386 4.967 -0.189 1.00 41.41 H new ATOM 0 HB2 LYS A 41 -12.277 2.597 0.149 1.00 12.20 H new ATOM 0 HB3 LYS A 41 -12.693 4.256 0.532 1.00 12.20 H new ATOM 0 HG2 LYS A 41 -12.270 4.844 -1.901 1.00 31.22 H new ATOM 0 HG3 LYS A 41 -12.063 3.134 -2.223 1.00 31.22 H new ATOM 0 HD2 LYS A 41 -14.361 2.706 -1.293 1.00 62.30 H new ATOM 0 HD3 LYS A 41 -14.565 4.429 -1.049 1.00 62.30 H new ATOM 0 HE2 LYS A 41 -15.663 3.848 -3.116 1.00 42.02 H new ATOM 0 HE3 LYS A 41 -14.236 4.782 -3.518 1.00 42.02 H new ATOM 0 HZ1 LYS A 41 -14.631 2.717 -4.865 1.00 1.51 H new ATOM 0 HZ2 LYS A 41 -13.082 2.856 -4.184 1.00 1.51 H new ATOM 0 HZ3 LYS A 41 -14.226 1.814 -3.486 1.00 1.51 H new ATOM 651 N ALA A 42 -10.100 2.569 2.071 1.00 53.42 N ATOM 652 CA ALA A 42 -9.848 2.268 3.485 1.00 73.42 C ATOM 653 C ALA A 42 -8.468 2.764 3.947 1.00 24.14 C ATOM 654 O ALA A 42 -8.353 3.472 4.948 1.00 20.01 O ATOM 655 CB ALA A 42 -9.972 0.767 3.726 1.00 21.43 C ATOM 0 H ALA A 42 -10.088 1.750 1.463 1.00 53.42 H new ATOM 0 HA ALA A 42 -10.597 2.799 4.072 1.00 73.42 H new ATOM 0 HB1 ALA A 42 -9.784 0.551 4.778 1.00 21.43 H new ATOM 0 HB2 ALA A 42 -10.977 0.438 3.462 1.00 21.43 H new ATOM 0 HB3 ALA A 42 -9.244 0.238 3.111 1.00 21.43 H new ATOM 661 N LEU A 43 -7.427 2.394 3.205 1.00 4.21 N ATOM 662 CA LEU A 43 -6.047 2.734 3.577 1.00 31.33 C ATOM 663 C LEU A 43 -5.822 4.250 3.646 1.00 2.23 C ATOM 664 O LEU A 43 -5.226 4.753 4.598 1.00 53.04 O ATOM 665 CB LEU A 43 -5.060 2.096 2.593 1.00 52.21 C ATOM 666 CG LEU A 43 -5.107 0.560 2.530 1.00 51.45 C ATOM 667 CD1 LEU A 43 -4.046 0.025 1.574 1.00 64.45 C ATOM 668 CD2 LEU A 43 -4.937 -0.044 3.923 1.00 11.01 C ATOM 0 H LEU A 43 -7.508 1.858 2.341 1.00 4.21 H new ATOM 0 HA LEU A 43 -5.872 2.334 4.576 1.00 31.33 H new ATOM 0 HB2 LEU A 43 -5.256 2.492 1.597 1.00 52.21 H new ATOM 0 HB3 LEU A 43 -4.050 2.403 2.864 1.00 52.21 H new ATOM 0 HG LEU A 43 -6.085 0.265 2.149 1.00 51.45 H new ATOM 0 HD11 LEU A 43 -4.098 -1.063 1.545 1.00 64.45 H new ATOM 0 HD12 LEU A 43 -4.223 0.423 0.575 1.00 64.45 H new ATOM 0 HD13 LEU A 43 -3.058 0.332 1.918 1.00 64.45 H new ATOM 0 HD21 LEU A 43 -4.973 -1.131 3.855 1.00 11.01 H new ATOM 0 HD22 LEU A 43 -3.976 0.262 4.337 1.00 11.01 H new ATOM 0 HD23 LEU A 43 -5.740 0.306 4.572 1.00 11.01 H new ATOM 680 N GLY A 44 -6.316 4.975 2.646 1.00 55.23 N ATOM 681 CA GLY A 44 -6.172 6.431 2.637 1.00 32.24 C ATOM 682 C GLY A 44 -6.898 7.112 3.799 1.00 10.34 C ATOM 683 O GLY A 44 -6.576 8.241 4.169 1.00 24.31 O ATOM 0 H GLY A 44 -6.812 4.588 1.843 1.00 55.23 H new ATOM 0 HA2 GLY A 44 -5.113 6.686 2.678 1.00 32.24 H new ATOM 0 HA3 GLY A 44 -6.558 6.823 1.696 1.00 32.24 H new ATOM 687 N ASN A 45 -7.875 6.415 4.378 1.00 4.33 N ATOM 688 CA ASN A 45 -8.678 6.958 5.480 1.00 33.14 C ATOM 689 C ASN A 45 -7.970 6.775 6.839 1.00 30.02 C ATOM 690 O ASN A 45 -8.275 7.477 7.809 1.00 74.01 O ATOM 691 CB ASN A 45 -10.052 6.274 5.498 1.00 61.34 C ATOM 692 CG ASN A 45 -11.010 6.899 6.494 1.00 73.31 C ATOM 693 OD1 ASN A 45 -11.764 7.807 6.162 1.00 12.22 O ATOM 694 ND2 ASN A 45 -10.992 6.419 7.720 1.00 45.23 N ATOM 0 H ASN A 45 -8.133 5.467 4.102 1.00 4.33 H new ATOM 0 HA ASN A 45 -8.805 8.028 5.318 1.00 33.14 H new ATOM 0 HB2 ASN A 45 -10.490 6.323 4.501 1.00 61.34 H new ATOM 0 HB3 ASN A 45 -9.924 5.219 5.738 1.00 61.34 H new ATOM 0 HD21 ASN A 45 -11.618 6.803 8.427 1.00 45.23 H new ATOM 0 HD22 ASN A 45 -10.352 5.663 7.962 1.00 45.23 H new ATOM 701 N LEU A 46 -7.030 5.831 6.903 1.00 5.13 N ATOM 702 CA LEU A 46 -6.292 5.543 8.142 1.00 30.43 C ATOM 703 C LEU A 46 -5.379 6.714 8.552 1.00 55.55 C ATOM 704 O LEU A 46 -4.860 7.437 7.699 1.00 73.31 O ATOM 705 CB LEU A 46 -5.449 4.265 7.972 1.00 73.43 C ATOM 706 CG LEU A 46 -6.248 2.969 7.750 1.00 13.44 C ATOM 707 CD1 LEU A 46 -5.315 1.812 7.403 1.00 24.22 C ATOM 708 CD2 LEU A 46 -7.084 2.630 8.985 1.00 14.44 C ATOM 0 H LEU A 46 -6.758 5.249 6.111 1.00 5.13 H new ATOM 0 HA LEU A 46 -7.027 5.397 8.933 1.00 30.43 H new ATOM 0 HB2 LEU A 46 -4.775 4.405 7.127 1.00 73.43 H new ATOM 0 HB3 LEU A 46 -4.827 4.140 8.858 1.00 73.43 H new ATOM 0 HG LEU A 46 -6.925 3.128 6.910 1.00 13.44 H new ATOM 0 HD11 LEU A 46 -5.901 0.906 7.250 1.00 24.22 H new ATOM 0 HD12 LEU A 46 -4.767 2.048 6.491 1.00 24.22 H new ATOM 0 HD13 LEU A 46 -4.610 1.655 8.220 1.00 24.22 H new ATOM 0 HD21 LEU A 46 -7.641 1.710 8.806 1.00 14.44 H new ATOM 0 HD22 LEU A 46 -6.426 2.495 9.844 1.00 14.44 H new ATOM 0 HD23 LEU A 46 -7.782 3.443 9.187 1.00 14.44 H new ATOM 720 N PRO A 47 -5.174 6.927 9.870 1.00 53.23 N ATOM 721 CA PRO A 47 -4.257 7.969 10.369 1.00 11.42 C ATOM 722 C PRO A 47 -2.793 7.718 9.961 1.00 21.34 C ATOM 723 O PRO A 47 -2.433 6.623 9.524 1.00 52.55 O ATOM 724 CB PRO A 47 -4.422 7.898 11.898 1.00 13.13 C ATOM 725 CG PRO A 47 -4.972 6.538 12.166 1.00 43.12 C ATOM 726 CD PRO A 47 -5.825 6.193 10.973 1.00 5.14 C ATOM 0 HA PRO A 47 -4.494 8.948 9.952 1.00 11.42 H new ATOM 0 HB2 PRO A 47 -3.468 8.045 12.405 1.00 13.13 H new ATOM 0 HB3 PRO A 47 -5.097 8.674 12.258 1.00 13.13 H new ATOM 0 HG2 PRO A 47 -4.170 5.811 12.296 1.00 43.12 H new ATOM 0 HG3 PRO A 47 -5.561 6.529 13.083 1.00 43.12 H new ATOM 0 HD2 PRO A 47 -5.842 5.119 10.787 1.00 5.14 H new ATOM 0 HD3 PRO A 47 -6.859 6.509 11.112 1.00 5.14 H new ATOM 734 N GLU A 48 -1.952 8.742 10.106 1.00 15.13 N ATOM 735 CA GLU A 48 -0.539 8.659 9.703 1.00 32.43 C ATOM 736 C GLU A 48 0.208 7.511 10.402 1.00 23.12 C ATOM 737 O GLU A 48 1.006 6.816 9.776 1.00 65.41 O ATOM 738 CB GLU A 48 0.173 9.985 9.994 1.00 11.04 C ATOM 739 CG GLU A 48 -0.364 11.162 9.190 1.00 64.44 C ATOM 740 CD GLU A 48 0.357 12.460 9.510 1.00 10.44 C ATOM 741 OE1 GLU A 48 1.390 12.748 8.873 1.00 74.42 O ATOM 742 OE2 GLU A 48 -0.101 13.194 10.409 1.00 54.21 O ATOM 0 H GLU A 48 -2.221 9.643 10.500 1.00 15.13 H new ATOM 0 HA GLU A 48 -0.527 8.455 8.632 1.00 32.43 H new ATOM 0 HB2 GLU A 48 0.080 10.211 11.056 1.00 11.04 H new ATOM 0 HB3 GLU A 48 1.236 9.869 9.784 1.00 11.04 H new ATOM 0 HG2 GLU A 48 -0.264 10.947 8.126 1.00 64.44 H new ATOM 0 HG3 GLU A 48 -1.428 11.281 9.393 1.00 64.44 H new ATOM 749 N GLY A 49 -0.055 7.321 11.694 1.00 3.32 N ATOM 750 CA GLY A 49 0.650 6.296 12.463 1.00 51.15 C ATOM 751 C GLY A 49 -0.277 5.357 13.230 1.00 70.01 C ATOM 752 O GLY A 49 -0.212 5.274 14.461 1.00 34.52 O ATOM 0 H GLY A 49 -0.742 7.856 12.225 1.00 3.32 H new ATOM 0 HA2 GLY A 49 1.269 5.708 11.785 1.00 51.15 H new ATOM 0 HA3 GLY A 49 1.324 6.783 13.168 1.00 51.15 H new ATOM 756 N SER A 50 -1.143 4.645 12.510 1.00 42.55 N ATOM 757 CA SER A 50 -2.039 3.655 13.131 1.00 4.53 C ATOM 758 C SER A 50 -1.279 2.365 13.468 1.00 3.11 C ATOM 759 O SER A 50 -0.071 2.266 13.243 1.00 41.25 O ATOM 760 CB SER A 50 -3.209 3.323 12.190 1.00 72.33 C ATOM 761 OG SER A 50 -2.821 2.408 11.172 1.00 61.21 O ATOM 0 H SER A 50 -1.247 4.731 11.499 1.00 42.55 H new ATOM 0 HA SER A 50 -2.427 4.090 14.052 1.00 4.53 H new ATOM 0 HB2 SER A 50 -4.031 2.899 12.767 1.00 72.33 H new ATOM 0 HB3 SER A 50 -3.580 4.240 11.733 1.00 72.33 H new ATOM 0 HG SER A 50 -1.892 2.582 10.913 1.00 61.21 H new ATOM 767 N LYS A 51 -1.989 1.376 14.013 1.00 33.23 N ATOM 768 CA LYS A 51 -1.398 0.055 14.264 1.00 62.31 C ATOM 769 C LYS A 51 -0.926 -0.593 12.948 1.00 4.12 C ATOM 770 O LYS A 51 0.023 -1.381 12.931 1.00 1.44 O ATOM 771 CB LYS A 51 -2.421 -0.862 14.956 1.00 75.14 C ATOM 772 CG LYS A 51 -1.881 -2.249 15.306 1.00 63.12 C ATOM 773 CD LYS A 51 -2.952 -3.167 15.909 1.00 63.10 C ATOM 774 CE LYS A 51 -3.333 -2.788 17.343 1.00 71.11 C ATOM 775 NZ LYS A 51 -4.032 -1.476 17.427 1.00 62.05 N ATOM 0 H LYS A 51 -2.967 1.460 14.288 1.00 33.23 H new ATOM 0 HA LYS A 51 -0.535 0.188 14.916 1.00 62.31 H new ATOM 0 HB2 LYS A 51 -2.767 -0.378 15.869 1.00 75.14 H new ATOM 0 HB3 LYS A 51 -3.289 -0.975 14.306 1.00 75.14 H new ATOM 0 HG2 LYS A 51 -1.474 -2.713 14.408 1.00 63.12 H new ATOM 0 HG3 LYS A 51 -1.057 -2.146 16.012 1.00 63.12 H new ATOM 0 HD2 LYS A 51 -3.843 -3.135 15.283 1.00 63.10 H new ATOM 0 HD3 LYS A 51 -2.590 -4.195 15.896 1.00 63.10 H new ATOM 0 HE2 LYS A 51 -3.975 -3.564 17.761 1.00 71.11 H new ATOM 0 HE3 LYS A 51 -2.433 -2.755 17.957 1.00 71.11 H new ATOM 0 HZ1 LYS A 51 -4.793 -1.533 18.134 1.00 62.05 H new ATOM 0 HZ2 LYS A 51 -3.354 -0.739 17.707 1.00 62.05 H new ATOM 0 HZ3 LYS A 51 -4.438 -1.239 16.499 1.00 62.05 H new ATOM 789 N LEU A 52 -1.591 -0.237 11.850 1.00 22.23 N ATOM 790 CA LEU A 52 -1.299 -0.807 10.533 1.00 14.12 C ATOM 791 C LEU A 52 -0.498 0.168 9.653 1.00 64.21 C ATOM 792 O LEU A 52 -0.863 1.341 9.517 1.00 5.42 O ATOM 793 CB LEU A 52 -2.612 -1.148 9.817 1.00 24.44 C ATOM 794 CG LEU A 52 -2.449 -1.749 8.412 1.00 53.33 C ATOM 795 CD1 LEU A 52 -1.969 -3.195 8.491 1.00 1.02 C ATOM 796 CD2 LEU A 52 -3.747 -1.645 7.623 1.00 73.53 C ATOM 0 H LEU A 52 -2.344 0.451 11.846 1.00 22.23 H new ATOM 0 HA LEU A 52 -0.700 -1.704 10.689 1.00 14.12 H new ATOM 0 HB2 LEU A 52 -3.173 -1.851 10.433 1.00 24.44 H new ATOM 0 HB3 LEU A 52 -3.213 -0.242 9.741 1.00 24.44 H new ATOM 0 HG LEU A 52 -1.689 -1.173 7.884 1.00 53.33 H new ATOM 0 HD11 LEU A 52 -1.861 -3.598 7.484 1.00 1.02 H new ATOM 0 HD12 LEU A 52 -1.007 -3.232 9.001 1.00 1.02 H new ATOM 0 HD13 LEU A 52 -2.696 -3.790 9.044 1.00 1.02 H new ATOM 0 HD21 LEU A 52 -3.606 -2.077 6.632 1.00 73.53 H new ATOM 0 HD22 LEU A 52 -4.535 -2.186 8.146 1.00 73.53 H new ATOM 0 HD23 LEU A 52 -4.030 -0.597 7.525 1.00 73.53 H new ATOM 808 N PRO A 53 0.607 -0.293 9.033 1.00 12.31 N ATOM 809 CA PRO A 53 1.305 0.498 8.018 1.00 60.41 C ATOM 810 C PRO A 53 0.594 0.419 6.652 1.00 34.10 C ATOM 811 O PRO A 53 0.806 -0.511 5.872 1.00 63.00 O ATOM 812 CB PRO A 53 2.692 -0.156 7.968 1.00 44.43 C ATOM 813 CG PRO A 53 2.450 -1.584 8.340 1.00 70.44 C ATOM 814 CD PRO A 53 1.272 -1.588 9.288 1.00 11.11 C ATOM 0 HA PRO A 53 1.340 1.562 8.253 1.00 60.41 H new ATOM 0 HB2 PRO A 53 3.133 -0.075 6.975 1.00 44.43 H new ATOM 0 HB3 PRO A 53 3.381 0.323 8.663 1.00 44.43 H new ATOM 0 HG2 PRO A 53 2.238 -2.185 7.455 1.00 70.44 H new ATOM 0 HG3 PRO A 53 3.331 -2.016 8.815 1.00 70.44 H new ATOM 0 HD2 PRO A 53 0.603 -2.426 9.091 1.00 11.11 H new ATOM 0 HD3 PRO A 53 1.594 -1.674 10.326 1.00 11.11 H new ATOM 822 N TRP A 54 -0.247 1.409 6.371 1.00 43.44 N ATOM 823 CA TRP A 54 -1.061 1.422 5.145 1.00 20.25 C ATOM 824 C TRP A 54 -0.239 1.807 3.907 1.00 1.43 C ATOM 825 O TRP A 54 -0.540 1.382 2.792 1.00 74.32 O ATOM 826 CB TRP A 54 -2.247 2.387 5.315 1.00 2.22 C ATOM 827 CG TRP A 54 -1.846 3.767 5.764 1.00 41.33 C ATOM 828 CD1 TRP A 54 -1.775 4.222 7.051 1.00 73.23 C ATOM 829 CD2 TRP A 54 -1.458 4.867 4.929 1.00 54.43 C ATOM 830 NE1 TRP A 54 -1.364 5.531 7.068 1.00 5.21 N ATOM 831 CE2 TRP A 54 -1.164 5.951 5.777 1.00 53.13 C ATOM 832 CE3 TRP A 54 -1.330 5.041 3.547 1.00 40.14 C ATOM 833 CZ2 TRP A 54 -0.749 7.188 5.288 1.00 32.41 C ATOM 834 CZ3 TRP A 54 -0.918 6.268 3.064 1.00 73.15 C ATOM 835 CH2 TRP A 54 -0.631 7.328 3.932 1.00 2.15 C ATOM 0 H TRP A 54 -0.388 2.219 6.974 1.00 43.44 H new ATOM 0 HA TRP A 54 -1.431 0.409 4.985 1.00 20.25 H new ATOM 0 HB2 TRP A 54 -2.780 2.464 4.367 1.00 2.22 H new ATOM 0 HB3 TRP A 54 -2.944 1.967 6.040 1.00 2.22 H new ATOM 0 HD1 TRP A 54 -2.009 3.636 7.928 1.00 73.23 H new ATOM 0 HE1 TRP A 54 -1.229 6.099 7.904 1.00 5.21 H new ATOM 0 HE3 TRP A 54 -1.550 4.230 2.869 1.00 40.14 H new ATOM 0 HZ2 TRP A 54 -0.528 8.008 5.956 1.00 32.41 H new ATOM 0 HZ3 TRP A 54 -0.816 6.412 1.999 1.00 73.15 H new ATOM 0 HH2 TRP A 54 -0.310 8.275 3.523 1.00 2.15 H new ATOM 846 N PHE A 55 0.804 2.604 4.114 1.00 62.32 N ATOM 847 CA PHE A 55 1.626 3.123 3.012 1.00 23.22 C ATOM 848 C PHE A 55 2.308 2.015 2.181 1.00 2.54 C ATOM 849 O PHE A 55 2.691 2.246 1.036 1.00 41.12 O ATOM 850 CB PHE A 55 2.670 4.118 3.555 1.00 25.14 C ATOM 851 CG PHE A 55 3.442 3.626 4.759 1.00 14.41 C ATOM 852 CD1 PHE A 55 4.598 2.874 4.607 1.00 23.34 C ATOM 853 CD2 PHE A 55 3.011 3.926 6.046 1.00 3.12 C ATOM 854 CE1 PHE A 55 5.305 2.432 5.709 1.00 3.21 C ATOM 855 CE2 PHE A 55 3.715 3.485 7.150 1.00 15.12 C ATOM 856 CZ PHE A 55 4.862 2.735 6.982 1.00 14.31 C ATOM 0 H PHE A 55 1.106 2.910 5.039 1.00 62.32 H new ATOM 0 HA PHE A 55 0.949 3.637 2.330 1.00 23.22 H new ATOM 0 HB2 PHE A 55 3.376 4.354 2.759 1.00 25.14 H new ATOM 0 HB3 PHE A 55 2.164 5.047 3.819 1.00 25.14 H new ATOM 0 HD1 PHE A 55 4.950 2.631 3.615 1.00 23.34 H new ATOM 0 HD2 PHE A 55 2.114 4.511 6.185 1.00 3.12 H new ATOM 0 HE1 PHE A 55 6.204 1.849 5.575 1.00 3.21 H new ATOM 0 HE2 PHE A 55 3.368 3.727 8.144 1.00 15.12 H new ATOM 0 HZ PHE A 55 5.412 2.386 7.844 1.00 14.31 H new ATOM 866 N ARG A 56 2.434 0.814 2.747 1.00 52.23 N ATOM 867 CA ARG A 56 3.134 -0.297 2.072 1.00 13.02 C ATOM 868 C ARG A 56 2.284 -0.956 0.961 1.00 44.45 C ATOM 869 O ARG A 56 2.683 -1.969 0.384 1.00 41.04 O ATOM 870 CB ARG A 56 3.567 -1.350 3.105 1.00 4.34 C ATOM 871 CG ARG A 56 4.599 -0.834 4.108 1.00 45.55 C ATOM 872 CD ARG A 56 5.019 -1.906 5.112 1.00 42.23 C ATOM 873 NE ARG A 56 5.995 -1.393 6.075 1.00 43.35 N ATOM 874 CZ ARG A 56 6.354 -2.002 7.176 1.00 44.44 C ATOM 875 NH1 ARG A 56 5.878 -3.165 7.484 1.00 54.22 N ATOM 876 NH2 ARG A 56 7.218 -1.442 7.958 1.00 53.05 N ATOM 0 H ARG A 56 2.064 0.579 3.668 1.00 52.23 H new ATOM 0 HA ARG A 56 4.012 0.128 1.586 1.00 13.02 H new ATOM 0 HB2 ARG A 56 2.688 -1.698 3.647 1.00 4.34 H new ATOM 0 HB3 ARG A 56 3.981 -2.212 2.582 1.00 4.34 H new ATOM 0 HG2 ARG A 56 5.478 -0.478 3.571 1.00 45.55 H new ATOM 0 HG3 ARG A 56 4.186 0.020 4.644 1.00 45.55 H new ATOM 0 HD2 ARG A 56 4.140 -2.271 5.644 1.00 42.23 H new ATOM 0 HD3 ARG A 56 5.445 -2.756 4.580 1.00 42.23 H new ATOM 0 HE ARG A 56 6.428 -0.492 5.872 1.00 43.35 H new ATOM 0 HH11 ARG A 56 5.210 -3.623 6.864 1.00 54.22 H new ATOM 0 HH12 ARG A 56 6.170 -3.623 8.347 1.00 54.22 H new ATOM 0 HH21 ARG A 56 7.613 -0.534 7.714 1.00 53.05 H new ATOM 0 HH22 ARG A 56 7.505 -1.908 8.819 1.00 53.05 H new ATOM 890 N VAL A 57 1.122 -0.381 0.653 1.00 12.21 N ATOM 891 CA VAL A 57 0.257 -0.907 -0.413 1.00 52.42 C ATOM 892 C VAL A 57 -0.047 0.165 -1.479 1.00 33.04 C ATOM 893 O VAL A 57 -0.521 1.259 -1.165 1.00 41.31 O ATOM 894 CB VAL A 57 -1.075 -1.455 0.157 1.00 15.35 C ATOM 895 CG1 VAL A 57 -1.926 -2.082 -0.949 1.00 3.43 C ATOM 896 CG2 VAL A 57 -0.816 -2.464 1.275 1.00 54.31 C ATOM 0 H VAL A 57 0.755 0.447 1.122 1.00 12.21 H new ATOM 0 HA VAL A 57 0.805 -1.724 -0.883 1.00 52.42 H new ATOM 0 HB VAL A 57 -1.629 -0.616 0.578 1.00 15.35 H new ATOM 0 HG11 VAL A 57 -2.856 -2.459 -0.523 1.00 3.43 H new ATOM 0 HG12 VAL A 57 -2.152 -1.330 -1.705 1.00 3.43 H new ATOM 0 HG13 VAL A 57 -1.377 -2.904 -1.408 1.00 3.43 H new ATOM 0 HG21 VAL A 57 -1.767 -2.834 1.659 1.00 54.31 H new ATOM 0 HG22 VAL A 57 -0.233 -3.298 0.884 1.00 54.31 H new ATOM 0 HG23 VAL A 57 -0.263 -1.981 2.081 1.00 54.31 H new ATOM 906 N ILE A 58 0.231 -0.161 -2.741 1.00 43.23 N ATOM 907 CA ILE A 58 -0.014 0.751 -3.866 1.00 74.12 C ATOM 908 C ILE A 58 -0.849 0.071 -4.968 1.00 54.33 C ATOM 909 O ILE A 58 -1.404 -1.013 -4.771 1.00 45.53 O ATOM 910 CB ILE A 58 1.319 1.273 -4.469 1.00 3.02 C ATOM 911 CG1 ILE A 58 2.204 0.103 -4.930 1.00 22.24 C ATOM 912 CG2 ILE A 58 2.063 2.153 -3.463 1.00 24.35 C ATOM 913 CD1 ILE A 58 3.505 0.540 -5.579 1.00 74.23 C ATOM 0 H ILE A 58 0.630 -1.059 -3.015 1.00 43.23 H new ATOM 0 HA ILE A 58 -0.577 1.597 -3.473 1.00 74.12 H new ATOM 0 HB ILE A 58 1.081 1.883 -5.341 1.00 3.02 H new ATOM 0 HG12 ILE A 58 2.431 -0.529 -4.072 1.00 22.24 H new ATOM 0 HG13 ILE A 58 1.643 -0.508 -5.637 1.00 22.24 H new ATOM 0 HG21 ILE A 58 2.993 2.507 -3.907 1.00 24.35 H new ATOM 0 HG22 ILE A 58 1.440 3.007 -3.196 1.00 24.35 H new ATOM 0 HG23 ILE A 58 2.286 1.573 -2.568 1.00 24.35 H new ATOM 0 HD11 ILE A 58 4.076 -0.339 -5.878 1.00 74.23 H new ATOM 0 HD12 ILE A 58 3.287 1.147 -6.458 1.00 74.23 H new ATOM 0 HD13 ILE A 58 4.087 1.126 -4.868 1.00 74.23 H new ATOM 925 N ASN A 59 -0.954 0.722 -6.124 1.00 55.15 N ATOM 926 CA ASN A 59 -1.746 0.195 -7.243 1.00 15.25 C ATOM 927 C ASN A 59 -0.920 -0.752 -8.133 1.00 14.31 C ATOM 928 O ASN A 59 0.289 -0.901 -7.952 1.00 33.12 O ATOM 929 CB ASN A 59 -2.318 1.355 -8.072 1.00 43.43 C ATOM 930 CG ASN A 59 -1.249 2.269 -8.652 1.00 11.31 C ATOM 931 OD1 ASN A 59 -0.167 1.830 -9.024 1.00 14.32 O ATOM 932 ND2 ASN A 59 -1.537 3.552 -8.717 1.00 64.03 N ATOM 0 H ASN A 59 -0.502 1.616 -6.315 1.00 55.15 H new ATOM 0 HA ASN A 59 -2.568 -0.388 -6.827 1.00 15.25 H new ATOM 0 HB2 ASN A 59 -2.918 0.948 -8.886 1.00 43.43 H new ATOM 0 HB3 ASN A 59 -2.988 1.944 -7.445 1.00 43.43 H new ATOM 0 HD21 ASN A 59 -0.851 4.211 -9.085 1.00 64.03 H new ATOM 0 HD22 ASN A 59 -2.447 3.887 -8.400 1.00 64.03 H new ATOM 939 N SER A 60 -1.581 -1.382 -9.106 1.00 61.52 N ATOM 940 CA SER A 60 -0.908 -2.318 -10.024 1.00 2.11 C ATOM 941 C SER A 60 -0.253 -1.582 -11.205 1.00 53.33 C ATOM 942 O SER A 60 0.201 -2.205 -12.168 1.00 42.41 O ATOM 943 CB SER A 60 -1.892 -3.390 -10.531 1.00 10.11 C ATOM 944 OG SER A 60 -3.067 -2.813 -11.084 1.00 34.13 O ATOM 0 H SER A 60 -2.579 -1.265 -9.283 1.00 61.52 H new ATOM 0 HA SER A 60 -0.115 -2.813 -9.463 1.00 2.11 H new ATOM 0 HB2 SER A 60 -1.401 -4.006 -11.284 1.00 10.11 H new ATOM 0 HB3 SER A 60 -2.165 -4.050 -9.708 1.00 10.11 H new ATOM 0 HG SER A 60 -3.665 -3.524 -11.396 1.00 34.13 H new ATOM 950 N GLN A 61 -0.209 -0.253 -11.124 1.00 42.31 N ATOM 951 CA GLN A 61 0.507 0.573 -12.105 1.00 43.13 C ATOM 952 C GLN A 61 1.940 0.853 -11.630 1.00 72.52 C ATOM 953 O GLN A 61 2.791 1.297 -12.405 1.00 61.11 O ATOM 954 CB GLN A 61 -0.219 1.912 -12.310 1.00 24.34 C ATOM 955 CG GLN A 61 -1.663 1.781 -12.779 1.00 0.32 C ATOM 956 CD GLN A 61 -2.375 3.121 -12.857 1.00 61.41 C ATOM 957 OE1 GLN A 61 -2.081 4.043 -12.101 1.00 53.14 O ATOM 958 NE2 GLN A 61 -3.316 3.245 -13.768 1.00 5.40 N ATOM 0 H GLN A 61 -0.664 0.282 -10.384 1.00 42.31 H new ATOM 0 HA GLN A 61 0.537 0.025 -13.047 1.00 43.13 H new ATOM 0 HB2 GLN A 61 -0.204 2.467 -11.372 1.00 24.34 H new ATOM 0 HB3 GLN A 61 0.335 2.503 -13.039 1.00 24.34 H new ATOM 0 HG2 GLN A 61 -1.681 1.306 -13.760 1.00 0.32 H new ATOM 0 HG3 GLN A 61 -2.205 1.125 -12.098 1.00 0.32 H new ATOM 0 HE21 GLN A 61 -3.538 2.461 -14.382 1.00 5.40 H new ATOM 0 HE22 GLN A 61 -3.824 4.125 -13.860 1.00 5.40 H new ATOM 967 N GLY A 62 2.195 0.597 -10.346 1.00 75.43 N ATOM 968 CA GLY A 62 3.481 0.938 -9.752 1.00 23.12 C ATOM 969 C GLY A 62 3.559 2.405 -9.355 1.00 2.22 C ATOM 970 O GLY A 62 4.602 3.044 -9.493 1.00 10.14 O ATOM 0 H GLY A 62 1.533 0.159 -9.706 1.00 75.43 H new ATOM 0 HA2 GLY A 62 3.650 0.316 -8.873 1.00 23.12 H new ATOM 0 HA3 GLY A 62 4.278 0.712 -10.460 1.00 23.12 H new ATOM 974 N LYS A 63 2.444 2.945 -8.865 1.00 20.22 N ATOM 975 CA LYS A 63 2.366 4.357 -8.474 1.00 42.34 C ATOM 976 C LYS A 63 1.617 4.556 -7.149 1.00 22.33 C ATOM 977 O LYS A 63 0.952 3.653 -6.641 1.00 14.13 O ATOM 978 CB LYS A 63 1.654 5.180 -9.558 1.00 62.22 C ATOM 979 CG LYS A 63 2.459 5.401 -10.834 1.00 43.34 C ATOM 980 CD LYS A 63 1.746 6.386 -11.759 1.00 12.20 C ATOM 981 CE LYS A 63 2.576 6.731 -12.986 1.00 1.31 C ATOM 982 NZ LYS A 63 1.917 7.772 -13.819 1.00 53.21 N ATOM 0 H LYS A 63 1.577 2.425 -8.728 1.00 20.22 H new ATOM 0 HA LYS A 63 3.394 4.697 -8.349 1.00 42.34 H new ATOM 0 HB2 LYS A 63 0.721 4.680 -9.817 1.00 62.22 H new ATOM 0 HB3 LYS A 63 1.390 6.152 -9.140 1.00 62.22 H new ATOM 0 HG2 LYS A 63 3.449 5.781 -10.584 1.00 43.34 H new ATOM 0 HG3 LYS A 63 2.603 4.451 -11.348 1.00 43.34 H new ATOM 0 HD2 LYS A 63 0.794 5.960 -12.075 1.00 12.20 H new ATOM 0 HD3 LYS A 63 1.519 7.299 -11.208 1.00 12.20 H new ATOM 0 HE2 LYS A 63 3.559 7.083 -12.673 1.00 1.31 H new ATOM 0 HE3 LYS A 63 2.734 5.833 -13.583 1.00 1.31 H new ATOM 0 HZ1 LYS A 63 2.511 7.982 -14.646 1.00 53.21 H new ATOM 0 HZ2 LYS A 63 0.989 7.426 -14.138 1.00 53.21 H new ATOM 0 HZ3 LYS A 63 1.789 8.637 -13.256 1.00 53.21 H new ATOM 996 N ILE A 64 1.731 5.767 -6.613 1.00 13.32 N ATOM 997 CA ILE A 64 0.966 6.185 -5.437 1.00 54.12 C ATOM 998 C ILE A 64 -0.434 6.671 -5.858 1.00 32.11 C ATOM 999 O ILE A 64 -0.577 7.728 -6.474 1.00 41.11 O ATOM 1000 CB ILE A 64 1.718 7.310 -4.677 1.00 0.22 C ATOM 1001 CG1 ILE A 64 3.048 6.776 -4.117 1.00 41.35 C ATOM 1002 CG2 ILE A 64 0.861 7.915 -3.564 1.00 2.22 C ATOM 1003 CD1 ILE A 64 3.881 7.824 -3.405 1.00 53.10 C ATOM 0 H ILE A 64 2.354 6.487 -6.979 1.00 13.32 H new ATOM 0 HA ILE A 64 0.854 5.329 -4.771 1.00 54.12 H new ATOM 0 HB ILE A 64 1.931 8.109 -5.388 1.00 0.22 H new ATOM 0 HG12 ILE A 64 2.838 5.961 -3.424 1.00 41.35 H new ATOM 0 HG13 ILE A 64 3.633 6.356 -4.935 1.00 41.35 H new ATOM 0 HG21 ILE A 64 1.424 8.698 -3.057 1.00 2.22 H new ATOM 0 HG22 ILE A 64 -0.046 8.340 -3.994 1.00 2.22 H new ATOM 0 HG23 ILE A 64 0.594 7.138 -2.848 1.00 2.22 H new ATOM 0 HD11 ILE A 64 4.802 7.370 -3.039 1.00 53.10 H new ATOM 0 HD12 ILE A 64 4.124 8.629 -4.099 1.00 53.10 H new ATOM 0 HD13 ILE A 64 3.317 8.228 -2.564 1.00 53.10 H new ATOM 1015 N SER A 65 -1.460 5.876 -5.543 1.00 33.25 N ATOM 1016 CA SER A 65 -2.843 6.175 -5.964 1.00 3.04 C ATOM 1017 C SER A 65 -3.433 7.392 -5.240 1.00 24.01 C ATOM 1018 O SER A 65 -4.341 8.046 -5.752 1.00 54.13 O ATOM 1019 CB SER A 65 -3.753 4.960 -5.731 1.00 41.45 C ATOM 1020 OG SER A 65 -3.342 3.847 -6.509 1.00 34.22 O ATOM 0 H SER A 65 -1.365 5.019 -4.998 1.00 33.25 H new ATOM 0 HA SER A 65 -2.796 6.409 -7.027 1.00 3.04 H new ATOM 0 HB2 SER A 65 -3.740 4.692 -4.675 1.00 41.45 H new ATOM 0 HB3 SER A 65 -4.781 5.221 -5.981 1.00 41.45 H new ATOM 0 HG SER A 65 -2.494 3.500 -6.162 1.00 34.22 H new ATOM 1026 N LEU A 66 -2.934 7.680 -4.042 1.00 34.31 N ATOM 1027 CA LEU A 66 -3.401 8.838 -3.274 1.00 63.34 C ATOM 1028 C LEU A 66 -3.054 10.152 -3.992 1.00 22.20 C ATOM 1029 O LEU A 66 -1.896 10.408 -4.304 1.00 64.53 O ATOM 1030 CB LEU A 66 -2.788 8.831 -1.869 1.00 23.03 C ATOM 1031 CG LEU A 66 -3.189 7.642 -0.980 1.00 71.52 C ATOM 1032 CD1 LEU A 66 -2.516 7.740 0.385 1.00 73.23 C ATOM 1033 CD2 LEU A 66 -4.708 7.568 -0.826 1.00 24.10 C ATOM 0 H LEU A 66 -2.209 7.132 -3.580 1.00 34.31 H new ATOM 0 HA LEU A 66 -4.485 8.769 -3.188 1.00 63.34 H new ATOM 0 HB2 LEU A 66 -1.702 8.841 -1.965 1.00 23.03 H new ATOM 0 HB3 LEU A 66 -3.072 9.753 -1.363 1.00 23.03 H new ATOM 0 HG LEU A 66 -2.850 6.726 -1.465 1.00 71.52 H new ATOM 0 HD11 LEU A 66 -2.813 6.890 0.999 1.00 73.23 H new ATOM 0 HD12 LEU A 66 -1.433 7.736 0.258 1.00 73.23 H new ATOM 0 HD13 LEU A 66 -2.820 8.665 0.875 1.00 73.23 H new ATOM 0 HD21 LEU A 66 -4.969 6.720 -0.193 1.00 24.10 H new ATOM 0 HD22 LEU A 66 -5.073 8.488 -0.368 1.00 24.10 H new ATOM 0 HD23 LEU A 66 -5.168 7.444 -1.807 1.00 24.10 H new ATOM 1045 N LYS A 67 -4.061 10.980 -4.249 1.00 63.14 N ATOM 1046 CA LYS A 67 -3.855 12.250 -4.955 1.00 53.43 C ATOM 1047 C LYS A 67 -4.120 13.448 -4.032 1.00 43.32 C ATOM 1048 O LYS A 67 -5.044 13.432 -3.216 1.00 63.04 O ATOM 1049 CB LYS A 67 -4.746 12.317 -6.204 1.00 62.45 C ATOM 1050 CG LYS A 67 -6.231 12.127 -5.919 1.00 51.13 C ATOM 1051 CD LYS A 67 -7.059 12.173 -7.198 1.00 14.44 C ATOM 1052 CE LYS A 67 -8.554 12.075 -6.910 1.00 40.13 C ATOM 1053 NZ LYS A 67 -9.027 13.185 -6.039 1.00 62.21 N ATOM 0 H LYS A 67 -5.029 10.799 -3.981 1.00 63.14 H new ATOM 0 HA LYS A 67 -2.812 12.298 -5.269 1.00 53.43 H new ATOM 0 HB2 LYS A 67 -4.601 13.282 -6.690 1.00 62.45 H new ATOM 0 HB3 LYS A 67 -4.422 11.553 -6.910 1.00 62.45 H new ATOM 0 HG2 LYS A 67 -6.386 11.171 -5.419 1.00 51.13 H new ATOM 0 HG3 LYS A 67 -6.573 12.904 -5.235 1.00 51.13 H new ATOM 0 HD2 LYS A 67 -6.852 13.101 -7.732 1.00 14.44 H new ATOM 0 HD3 LYS A 67 -6.761 11.355 -7.853 1.00 14.44 H new ATOM 0 HE2 LYS A 67 -9.106 12.091 -7.850 1.00 40.13 H new ATOM 0 HE3 LYS A 67 -8.769 11.120 -6.430 1.00 40.13 H new ATOM 0 HZ1 LYS A 67 -10.064 13.245 -6.085 1.00 62.21 H new ATOM 0 HZ2 LYS A 67 -8.734 13.005 -5.057 1.00 62.21 H new ATOM 0 HZ3 LYS A 67 -8.614 14.082 -6.365 1.00 62.21 H new ATOM 1067 N GLY A 68 -3.304 14.487 -4.177 1.00 15.32 N ATOM 1068 CA GLY A 68 -3.355 15.636 -3.279 1.00 23.11 C ATOM 1069 C GLY A 68 -2.149 15.669 -2.346 1.00 53.15 C ATOM 1070 O GLY A 68 -1.024 15.418 -2.778 1.00 63.02 O ATOM 0 H GLY A 68 -2.598 14.557 -4.910 1.00 15.32 H new ATOM 0 HA2 GLY A 68 -3.389 16.555 -3.864 1.00 23.11 H new ATOM 0 HA3 GLY A 68 -4.271 15.599 -2.690 1.00 23.11 H new ATOM 1074 N ARG A 69 -2.370 15.954 -1.067 1.00 53.11 N ATOM 1075 CA ARG A 69 -1.281 15.944 -0.081 1.00 1.22 C ATOM 1076 C ARG A 69 -0.992 14.514 0.402 1.00 11.14 C ATOM 1077 O ARG A 69 0.121 14.200 0.831 1.00 55.02 O ATOM 1078 CB ARG A 69 -1.620 16.861 1.102 1.00 5.34 C ATOM 1079 CG ARG A 69 -1.737 18.331 0.703 1.00 64.10 C ATOM 1080 CD ARG A 69 -1.979 19.242 1.901 1.00 35.32 C ATOM 1081 NE ARG A 69 -2.014 20.650 1.514 1.00 24.02 N ATOM 1082 CZ ARG A 69 -2.130 21.644 2.350 1.00 44.52 C ATOM 1083 NH1 ARG A 69 -2.203 21.431 3.626 1.00 40.04 N ATOM 1084 NH2 ARG A 69 -2.153 22.854 1.900 1.00 1.41 N ATOM 0 H ARG A 69 -3.285 16.194 -0.685 1.00 53.11 H new ATOM 0 HA ARG A 69 -0.380 16.324 -0.563 1.00 1.22 H new ATOM 0 HB2 ARG A 69 -2.559 16.536 1.549 1.00 5.34 H new ATOM 0 HB3 ARG A 69 -0.850 16.758 1.867 1.00 5.34 H new ATOM 0 HG2 ARG A 69 -0.824 18.640 0.194 1.00 64.10 H new ATOM 0 HG3 ARG A 69 -2.554 18.447 -0.009 1.00 64.10 H new ATOM 0 HD2 ARG A 69 -2.921 18.973 2.378 1.00 35.32 H new ATOM 0 HD3 ARG A 69 -1.192 19.088 2.640 1.00 35.32 H new ATOM 0 HE ARG A 69 -1.943 20.871 0.521 1.00 24.02 H new ATOM 0 HH11 ARG A 69 -2.170 20.477 3.987 1.00 40.04 H new ATOM 0 HH12 ARG A 69 -2.294 22.217 4.270 1.00 40.04 H new ATOM 0 HH21 ARG A 69 -2.081 23.027 0.897 1.00 1.41 H new ATOM 0 HH22 ARG A 69 -2.243 23.637 2.547 1.00 1.41 H new ATOM 1098 N ASP A 70 -2.001 13.648 0.309 1.00 55.21 N ATOM 1099 CA ASP A 70 -1.854 12.230 0.655 1.00 32.10 C ATOM 1100 C ASP A 70 -0.829 11.520 -0.250 1.00 25.01 C ATOM 1101 O ASP A 70 -0.234 10.514 0.145 1.00 65.14 O ATOM 1102 CB ASP A 70 -3.216 11.533 0.585 1.00 72.44 C ATOM 1103 CG ASP A 70 -4.106 11.925 1.752 1.00 62.42 C ATOM 1104 OD1 ASP A 70 -4.013 11.278 2.815 1.00 54.20 O ATOM 1105 OD2 ASP A 70 -4.883 12.895 1.620 1.00 12.02 O ATOM 0 H ASP A 70 -2.937 13.904 -0.005 1.00 55.21 H new ATOM 0 HA ASP A 70 -1.474 12.171 1.675 1.00 32.10 H new ATOM 0 HB2 ASP A 70 -3.709 11.791 -0.352 1.00 72.44 H new ATOM 0 HB3 ASP A 70 -3.073 10.452 0.583 1.00 72.44 H new ATOM 1110 N LEU A 71 -0.622 12.054 -1.456 1.00 71.24 N ATOM 1111 CA LEU A 71 0.407 11.543 -2.369 1.00 45.10 C ATOM 1112 C LEU A 71 1.787 11.575 -1.698 1.00 4.35 C ATOM 1113 O LEU A 71 2.435 10.540 -1.508 1.00 74.12 O ATOM 1114 CB LEU A 71 0.447 12.388 -3.651 1.00 11.15 C ATOM 1115 CG LEU A 71 1.437 11.908 -4.729 1.00 43.05 C ATOM 1116 CD1 LEU A 71 0.874 10.718 -5.496 1.00 34.40 C ATOM 1117 CD2 LEU A 71 1.793 13.038 -5.682 1.00 23.33 C ATOM 0 H LEU A 71 -1.154 12.842 -1.825 1.00 71.24 H new ATOM 0 HA LEU A 71 0.156 10.513 -2.621 1.00 45.10 H new ATOM 0 HB2 LEU A 71 -0.553 12.408 -4.084 1.00 11.15 H new ATOM 0 HB3 LEU A 71 0.699 13.414 -3.382 1.00 11.15 H new ATOM 0 HG LEU A 71 2.349 11.587 -4.225 1.00 43.05 H new ATOM 0 HD11 LEU A 71 1.593 10.399 -6.251 1.00 34.40 H new ATOM 0 HD12 LEU A 71 0.684 9.897 -4.805 1.00 34.40 H new ATOM 0 HD13 LEU A 71 -0.058 11.006 -5.981 1.00 34.40 H new ATOM 0 HD21 LEU A 71 2.493 12.673 -6.433 1.00 23.33 H new ATOM 0 HD22 LEU A 71 0.889 13.398 -6.173 1.00 23.33 H new ATOM 0 HD23 LEU A 71 2.252 13.854 -5.124 1.00 23.33 H new ATOM 1129 N ASP A 72 2.218 12.779 -1.325 1.00 72.45 N ATOM 1130 CA ASP A 72 3.514 12.977 -0.677 1.00 13.43 C ATOM 1131 C ASP A 72 3.539 12.339 0.721 1.00 2.43 C ATOM 1132 O ASP A 72 4.574 11.867 1.171 1.00 74.12 O ATOM 1133 CB ASP A 72 3.829 14.471 -0.588 1.00 32.13 C ATOM 1134 CG ASP A 72 3.702 15.160 -1.935 1.00 42.54 C ATOM 1135 OD1 ASP A 72 4.587 14.972 -2.796 1.00 54.23 O ATOM 1136 OD2 ASP A 72 2.708 15.890 -2.143 1.00 72.24 O ATOM 0 H ASP A 72 1.685 13.638 -1.462 1.00 72.45 H new ATOM 0 HA ASP A 72 4.278 12.487 -1.281 1.00 13.43 H new ATOM 0 HB2 ASP A 72 3.153 14.942 0.125 1.00 32.13 H new ATOM 0 HB3 ASP A 72 4.841 14.606 -0.206 1.00 32.13 H new ATOM 1141 N ARG A 73 2.389 12.333 1.392 1.00 52.35 N ATOM 1142 CA ARG A 73 2.225 11.654 2.688 1.00 40.23 C ATOM 1143 C ARG A 73 2.745 10.200 2.627 1.00 20.44 C ATOM 1144 O ARG A 73 3.663 9.810 3.371 1.00 52.23 O ATOM 1145 CB ARG A 73 0.733 11.679 3.063 1.00 31.41 C ATOM 1146 CG ARG A 73 0.372 11.027 4.394 1.00 22.21 C ATOM 1147 CD ARG A 73 -1.143 11.055 4.611 1.00 43.34 C ATOM 1148 NE ARG A 73 -1.553 10.366 5.833 1.00 11.42 N ATOM 1149 CZ ARG A 73 -2.711 9.766 5.987 1.00 55.24 C ATOM 1150 NH1 ARG A 73 -3.595 9.762 5.037 1.00 63.10 N ATOM 1151 NH2 ARG A 73 -2.990 9.177 7.101 1.00 51.12 N ATOM 0 H ARG A 73 1.543 12.796 1.059 1.00 52.35 H new ATOM 0 HA ARG A 73 2.810 12.174 3.446 1.00 40.23 H new ATOM 0 HB2 ARG A 73 0.401 12.717 3.087 1.00 31.41 H new ATOM 0 HB3 ARG A 73 0.171 11.182 2.272 1.00 31.41 H new ATOM 0 HG2 ARG A 73 0.729 9.997 4.410 1.00 22.21 H new ATOM 0 HG3 ARG A 73 0.872 11.550 5.209 1.00 22.21 H new ATOM 0 HD2 ARG A 73 -1.480 12.091 4.653 1.00 43.34 H new ATOM 0 HD3 ARG A 73 -1.637 10.593 3.756 1.00 43.34 H new ATOM 0 HE ARG A 73 -0.899 10.350 6.615 1.00 11.42 H new ATOM 0 HH11 ARG A 73 -3.396 10.230 4.153 1.00 63.10 H new ATOM 0 HH12 ARG A 73 -4.489 9.291 5.174 1.00 63.10 H new ATOM 0 HH21 ARG A 73 -2.311 9.177 7.862 1.00 51.12 H new ATOM 0 HH22 ARG A 73 -3.890 8.711 7.220 1.00 51.12 H new ATOM 1165 N GLN A 74 2.163 9.408 1.725 1.00 61.14 N ATOM 1166 CA GLN A 74 2.575 8.013 1.535 1.00 63.44 C ATOM 1167 C GLN A 74 4.040 7.937 1.070 1.00 11.12 C ATOM 1168 O GLN A 74 4.822 7.120 1.562 1.00 13.20 O ATOM 1169 CB GLN A 74 1.657 7.324 0.509 1.00 53.12 C ATOM 1170 CG GLN A 74 1.749 5.802 0.529 1.00 60.40 C ATOM 1171 CD GLN A 74 0.847 5.128 -0.494 1.00 62.15 C ATOM 1172 OE1 GLN A 74 -0.175 5.669 -0.899 1.00 43.43 O ATOM 1173 NE2 GLN A 74 1.203 3.922 -0.893 1.00 60.22 N ATOM 0 H GLN A 74 1.404 9.708 1.113 1.00 61.14 H new ATOM 0 HA GLN A 74 2.490 7.496 2.491 1.00 63.44 H new ATOM 0 HB2 GLN A 74 0.626 7.619 0.702 1.00 53.12 H new ATOM 0 HB3 GLN A 74 1.910 7.681 -0.489 1.00 53.12 H new ATOM 0 HG2 GLN A 74 2.781 5.505 0.343 1.00 60.40 H new ATOM 0 HG3 GLN A 74 1.488 5.443 1.525 1.00 60.40 H new ATOM 0 HE21 GLN A 74 2.060 3.499 -0.537 1.00 60.22 H new ATOM 0 HE22 GLN A 74 0.621 3.412 -1.558 1.00 60.22 H new ATOM 1182 N LYS A 75 4.394 8.811 0.128 1.00 44.14 N ATOM 1183 CA LYS A 75 5.768 8.933 -0.384 1.00 3.33 C ATOM 1184 C LYS A 75 6.805 9.054 0.748 1.00 1.44 C ATOM 1185 O LYS A 75 7.725 8.239 0.848 1.00 65.33 O ATOM 1186 CB LYS A 75 5.847 10.162 -1.301 1.00 15.24 C ATOM 1187 CG LYS A 75 7.260 10.582 -1.698 1.00 44.13 C ATOM 1188 CD LYS A 75 7.243 11.923 -2.425 1.00 54.23 C ATOM 1189 CE LYS A 75 8.644 12.463 -2.686 1.00 73.10 C ATOM 1190 NZ LYS A 75 8.600 13.831 -3.266 1.00 41.23 N ATOM 0 H LYS A 75 3.737 9.459 -0.306 1.00 44.14 H new ATOM 0 HA LYS A 75 6.006 8.025 -0.938 1.00 3.33 H new ATOM 0 HB2 LYS A 75 5.277 9.957 -2.207 1.00 15.24 H new ATOM 0 HB3 LYS A 75 5.362 11.001 -0.802 1.00 15.24 H new ATOM 0 HG2 LYS A 75 7.886 10.653 -0.809 1.00 44.13 H new ATOM 0 HG3 LYS A 75 7.704 9.821 -2.340 1.00 44.13 H new ATOM 0 HD2 LYS A 75 6.717 11.812 -3.373 1.00 54.23 H new ATOM 0 HD3 LYS A 75 6.683 12.647 -1.833 1.00 54.23 H new ATOM 0 HE2 LYS A 75 9.208 12.480 -1.754 1.00 73.10 H new ATOM 0 HE3 LYS A 75 9.172 11.795 -3.366 1.00 73.10 H new ATOM 0 HZ1 LYS A 75 9.569 14.169 -3.432 1.00 41.23 H new ATOM 0 HZ2 LYS A 75 8.082 13.809 -4.168 1.00 41.23 H new ATOM 0 HZ3 LYS A 75 8.118 14.473 -2.605 1.00 41.23 H new ATOM 1204 N GLN A 76 6.645 10.077 1.591 1.00 74.25 N ATOM 1205 CA GLN A 76 7.575 10.339 2.698 1.00 54.01 C ATOM 1206 C GLN A 76 7.775 9.093 3.570 1.00 24.42 C ATOM 1207 O GLN A 76 8.908 8.702 3.877 1.00 63.03 O ATOM 1208 CB GLN A 76 7.056 11.493 3.573 1.00 61.20 C ATOM 1209 CG GLN A 76 6.882 12.818 2.834 1.00 15.23 C ATOM 1210 CD GLN A 76 6.287 13.908 3.712 1.00 32.20 C ATOM 1211 OE1 GLN A 76 5.552 13.637 4.657 1.00 41.35 O ATOM 1212 NE2 GLN A 76 6.585 15.153 3.397 1.00 22.42 N ATOM 0 H GLN A 76 5.875 10.743 1.529 1.00 74.25 H new ATOM 0 HA GLN A 76 8.534 10.614 2.260 1.00 54.01 H new ATOM 0 HB2 GLN A 76 6.098 11.203 4.004 1.00 61.20 H new ATOM 0 HB3 GLN A 76 7.747 11.642 4.403 1.00 61.20 H new ATOM 0 HG2 GLN A 76 7.850 13.149 2.458 1.00 15.23 H new ATOM 0 HG3 GLN A 76 6.239 12.664 1.968 1.00 15.23 H new ATOM 0 HE21 GLN A 76 7.199 15.346 2.606 1.00 22.42 H new ATOM 0 HE22 GLN A 76 6.202 15.923 3.945 1.00 22.42 H new ATOM 1221 N LYS A 77 6.668 8.469 3.970 1.00 13.12 N ATOM 1222 CA LYS A 77 6.728 7.296 4.847 1.00 21.43 C ATOM 1223 C LYS A 77 7.325 6.064 4.143 1.00 22.51 C ATOM 1224 O LYS A 77 7.911 5.198 4.788 1.00 72.41 O ATOM 1225 CB LYS A 77 5.340 6.996 5.404 1.00 21.42 C ATOM 1226 CG LYS A 77 4.760 8.185 6.159 1.00 21.13 C ATOM 1227 CD LYS A 77 3.478 7.833 6.891 1.00 0.24 C ATOM 1228 CE LYS A 77 2.841 9.068 7.520 1.00 50.12 C ATOM 1229 NZ LYS A 77 3.799 9.815 8.381 1.00 61.22 N ATOM 0 H LYS A 77 5.725 8.752 3.704 1.00 13.12 H new ATOM 0 HA LYS A 77 7.401 7.531 5.672 1.00 21.43 H new ATOM 0 HB2 LYS A 77 4.672 6.725 4.587 1.00 21.42 H new ATOM 0 HB3 LYS A 77 5.395 6.135 6.070 1.00 21.42 H new ATOM 0 HG2 LYS A 77 5.496 8.552 6.875 1.00 21.13 H new ATOM 0 HG3 LYS A 77 4.565 8.997 5.459 1.00 21.13 H new ATOM 0 HD2 LYS A 77 2.775 7.373 6.197 1.00 0.24 H new ATOM 0 HD3 LYS A 77 3.690 7.096 7.666 1.00 0.24 H new ATOM 0 HE2 LYS A 77 2.472 9.726 6.733 1.00 50.12 H new ATOM 0 HE3 LYS A 77 1.978 8.768 8.114 1.00 50.12 H new ATOM 0 HZ1 LYS A 77 3.282 10.520 8.944 1.00 61.22 H new ATOM 0 HZ2 LYS A 77 4.284 9.151 9.018 1.00 61.22 H new ATOM 0 HZ3 LYS A 77 4.501 10.296 7.783 1.00 61.22 H new ATOM 1243 N LEU A 78 7.188 6.000 2.819 1.00 52.42 N ATOM 1244 CA LEU A 78 7.763 4.898 2.034 1.00 21.22 C ATOM 1245 C LEU A 78 9.274 5.066 1.820 1.00 75.50 C ATOM 1246 O LEU A 78 10.027 4.090 1.868 1.00 33.44 O ATOM 1247 CB LEU A 78 7.038 4.773 0.690 1.00 21.22 C ATOM 1248 CG LEU A 78 5.644 4.140 0.777 1.00 63.44 C ATOM 1249 CD1 LEU A 78 4.899 4.294 -0.542 1.00 43.14 C ATOM 1250 CD2 LEU A 78 5.757 2.667 1.167 1.00 14.05 C ATOM 0 H LEU A 78 6.686 6.694 2.265 1.00 52.42 H new ATOM 0 HA LEU A 78 7.621 3.980 2.604 1.00 21.22 H new ATOM 0 HB2 LEU A 78 6.946 5.765 0.247 1.00 21.22 H new ATOM 0 HB3 LEU A 78 7.652 4.178 0.014 1.00 21.22 H new ATOM 0 HG LEU A 78 5.074 4.659 1.548 1.00 63.44 H new ATOM 0 HD11 LEU A 78 3.913 3.838 -0.458 1.00 43.14 H new ATOM 0 HD12 LEU A 78 4.791 5.353 -0.777 1.00 43.14 H new ATOM 0 HD13 LEU A 78 5.460 3.802 -1.336 1.00 43.14 H new ATOM 0 HD21 LEU A 78 4.761 2.229 1.226 1.00 14.05 H new ATOM 0 HD22 LEU A 78 6.344 2.136 0.417 1.00 14.05 H new ATOM 0 HD23 LEU A 78 6.247 2.584 2.137 1.00 14.05 H new ATOM 1262 N GLU A 79 9.724 6.295 1.585 1.00 71.05 N ATOM 1263 CA GLU A 79 11.161 6.569 1.475 1.00 72.40 C ATOM 1264 C GLU A 79 11.875 6.255 2.800 1.00 3.11 C ATOM 1265 O GLU A 79 13.046 5.869 2.815 1.00 24.51 O ATOM 1266 CB GLU A 79 11.414 8.025 1.070 1.00 5.51 C ATOM 1267 CG GLU A 79 10.824 8.400 -0.287 1.00 31.25 C ATOM 1268 CD GLU A 79 11.289 9.765 -0.777 1.00 1.15 C ATOM 1269 OE1 GLU A 79 11.134 10.755 -0.033 1.00 24.30 O ATOM 1270 OE2 GLU A 79 11.814 9.851 -1.907 1.00 73.22 O ATOM 0 H GLU A 79 9.125 7.112 1.467 1.00 71.05 H new ATOM 0 HA GLU A 79 11.566 5.922 0.697 1.00 72.40 H new ATOM 0 HB2 GLU A 79 10.995 8.682 1.832 1.00 5.51 H new ATOM 0 HB3 GLU A 79 12.489 8.205 1.050 1.00 5.51 H new ATOM 0 HG2 GLU A 79 11.101 7.642 -1.020 1.00 31.25 H new ATOM 0 HG3 GLU A 79 9.736 8.395 -0.219 1.00 31.25 H new ATOM 1277 N ALA A 80 11.153 6.425 3.909 1.00 24.50 N ATOM 1278 CA ALA A 80 11.653 6.046 5.239 1.00 40.34 C ATOM 1279 C ALA A 80 11.861 4.522 5.351 1.00 33.42 C ATOM 1280 O ALA A 80 12.597 4.040 6.216 1.00 10.45 O ATOM 1281 CB ALA A 80 10.686 6.531 6.316 1.00 31.40 C ATOM 0 H ALA A 80 10.215 6.825 3.916 1.00 24.50 H new ATOM 0 HA ALA A 80 12.622 6.523 5.385 1.00 40.34 H new ATOM 0 HB1 ALA A 80 11.063 6.247 7.298 1.00 31.40 H new ATOM 0 HB2 ALA A 80 10.596 7.616 6.262 1.00 31.40 H new ATOM 0 HB3 ALA A 80 9.708 6.077 6.158 1.00 31.40 H new ATOM 1287 N GLU A 81 11.204 3.772 4.467 1.00 21.14 N ATOM 1288 CA GLU A 81 11.338 2.311 4.419 1.00 73.25 C ATOM 1289 C GLU A 81 12.525 1.884 3.540 1.00 31.25 C ATOM 1290 O GLU A 81 12.772 0.694 3.346 1.00 2.12 O ATOM 1291 CB GLU A 81 10.041 1.688 3.879 1.00 11.43 C ATOM 1292 CG GLU A 81 8.793 2.090 4.659 1.00 35.30 C ATOM 1293 CD GLU A 81 8.736 1.480 6.050 1.00 53.53 C ATOM 1294 OE1 GLU A 81 9.328 2.053 6.987 1.00 55.10 O ATOM 1295 OE2 GLU A 81 8.107 0.419 6.208 1.00 1.35 O ATOM 0 H GLU A 81 10.567 4.154 3.767 1.00 21.14 H new ATOM 0 HA GLU A 81 11.524 1.956 5.433 1.00 73.25 H new ATOM 0 HB2 GLU A 81 9.916 1.979 2.836 1.00 11.43 H new ATOM 0 HB3 GLU A 81 10.135 0.602 3.897 1.00 11.43 H new ATOM 0 HG2 GLU A 81 8.759 3.176 4.744 1.00 35.30 H new ATOM 0 HG3 GLU A 81 7.909 1.786 4.099 1.00 35.30 H new ATOM 1302 N GLY A 82 13.263 2.865 3.018 1.00 3.22 N ATOM 1303 CA GLY A 82 14.382 2.574 2.126 1.00 71.43 C ATOM 1304 C GLY A 82 13.945 2.355 0.679 1.00 74.41 C ATOM 1305 O GLY A 82 14.708 1.836 -0.141 1.00 13.43 O ATOM 0 H GLY A 82 13.107 3.857 3.196 1.00 3.22 H new ATOM 0 HA2 GLY A 82 15.095 3.398 2.165 1.00 71.43 H new ATOM 0 HA3 GLY A 82 14.903 1.685 2.482 1.00 71.43 H new ATOM 1309 N ILE A 83 12.719 2.764 0.365 1.00 41.14 N ATOM 1310 CA ILE A 83 12.151 2.592 -0.975 1.00 43.51 C ATOM 1311 C ILE A 83 12.410 3.821 -1.863 1.00 72.40 C ATOM 1312 O ILE A 83 12.073 4.952 -1.497 1.00 44.32 O ATOM 1313 CB ILE A 83 10.624 2.333 -0.889 1.00 0.31 C ATOM 1314 CG1 ILE A 83 10.345 1.059 -0.069 1.00 22.21 C ATOM 1315 CG2 ILE A 83 10.007 2.230 -2.284 1.00 54.01 C ATOM 1316 CD1 ILE A 83 8.872 0.764 0.126 1.00 73.52 C ATOM 0 H ILE A 83 12.092 3.222 1.026 1.00 41.14 H new ATOM 0 HA ILE A 83 12.643 1.731 -1.426 1.00 43.51 H new ATOM 0 HB ILE A 83 10.159 3.179 -0.382 1.00 0.31 H new ATOM 0 HG12 ILE A 83 10.813 0.209 -0.566 1.00 22.21 H new ATOM 0 HG13 ILE A 83 10.818 1.157 0.908 1.00 22.21 H new ATOM 0 HG21 ILE A 83 8.936 2.048 -2.196 1.00 54.01 H new ATOM 0 HG22 ILE A 83 10.174 3.161 -2.825 1.00 54.01 H new ATOM 0 HG23 ILE A 83 10.471 1.407 -2.827 1.00 54.01 H new ATOM 0 HD11 ILE A 83 8.758 -0.148 0.712 1.00 73.52 H new ATOM 0 HD12 ILE A 83 8.401 1.595 0.651 1.00 73.52 H new ATOM 0 HD13 ILE A 83 8.396 0.632 -0.845 1.00 73.52 H new ATOM 1328 N GLU A 84 13.027 3.599 -3.022 1.00 70.01 N ATOM 1329 CA GLU A 84 13.250 4.676 -3.991 1.00 32.33 C ATOM 1330 C GLU A 84 11.937 5.083 -4.688 1.00 13.23 C ATOM 1331 O GLU A 84 11.548 4.519 -5.715 1.00 11.41 O ATOM 1332 CB GLU A 84 14.306 4.259 -5.032 1.00 53.43 C ATOM 1333 CG GLU A 84 14.003 2.937 -5.727 1.00 44.55 C ATOM 1334 CD GLU A 84 14.958 2.622 -6.861 1.00 25.24 C ATOM 1335 OE1 GLU A 84 16.143 2.333 -6.591 1.00 62.54 O ATOM 1336 OE2 GLU A 84 14.523 2.651 -8.032 1.00 64.33 O ATOM 0 H GLU A 84 13.381 2.688 -3.314 1.00 70.01 H new ATOM 0 HA GLU A 84 13.622 5.543 -3.445 1.00 32.33 H new ATOM 0 HB2 GLU A 84 14.388 5.043 -5.785 1.00 53.43 H new ATOM 0 HB3 GLU A 84 15.276 4.185 -4.541 1.00 53.43 H new ATOM 0 HG2 GLU A 84 14.043 2.132 -4.994 1.00 44.55 H new ATOM 0 HG3 GLU A 84 12.985 2.964 -6.116 1.00 44.55 H new ATOM 1343 N VAL A 85 11.246 6.059 -4.108 1.00 40.30 N ATOM 1344 CA VAL A 85 10.017 6.592 -4.698 1.00 33.34 C ATOM 1345 C VAL A 85 10.344 7.692 -5.718 1.00 32.53 C ATOM 1346 O VAL A 85 10.848 8.756 -5.352 1.00 31.15 O ATOM 1347 CB VAL A 85 9.068 7.165 -3.612 1.00 51.10 C ATOM 1348 CG1 VAL A 85 7.789 7.717 -4.244 1.00 44.24 C ATOM 1349 CG2 VAL A 85 8.744 6.099 -2.564 1.00 22.21 C ATOM 0 H VAL A 85 11.515 6.500 -3.228 1.00 40.30 H new ATOM 0 HA VAL A 85 9.512 5.766 -5.200 1.00 33.34 H new ATOM 0 HB VAL A 85 9.578 7.989 -3.112 1.00 51.10 H new ATOM 0 HG11 VAL A 85 7.139 8.113 -3.464 1.00 44.24 H new ATOM 0 HG12 VAL A 85 8.043 8.513 -4.944 1.00 44.24 H new ATOM 0 HG13 VAL A 85 7.272 6.918 -4.776 1.00 44.24 H new ATOM 0 HG21 VAL A 85 8.078 6.520 -1.811 1.00 22.21 H new ATOM 0 HG22 VAL A 85 8.258 5.251 -3.046 1.00 22.21 H new ATOM 0 HG23 VAL A 85 9.666 5.766 -2.087 1.00 22.21 H new ATOM 1359 N SER A 86 10.082 7.422 -6.996 1.00 11.12 N ATOM 1360 CA SER A 86 10.317 8.412 -8.056 1.00 13.12 C ATOM 1361 C SER A 86 9.463 9.669 -7.836 1.00 73.32 C ATOM 1362 O SER A 86 8.308 9.574 -7.414 1.00 25.44 O ATOM 1363 CB SER A 86 10.018 7.815 -9.437 1.00 41.41 C ATOM 1364 OG SER A 86 10.190 8.778 -10.466 1.00 41.35 O ATOM 0 H SER A 86 9.709 6.532 -7.325 1.00 11.12 H new ATOM 0 HA SER A 86 11.369 8.694 -8.015 1.00 13.12 H new ATOM 0 HB2 SER A 86 10.676 6.965 -9.618 1.00 41.41 H new ATOM 0 HB3 SER A 86 8.996 7.437 -9.458 1.00 41.41 H new ATOM 0 HG SER A 86 9.994 8.368 -11.334 1.00 41.35 H new ATOM 1370 N GLU A 87 10.041 10.833 -8.146 1.00 61.02 N ATOM 1371 CA GLU A 87 9.432 12.143 -7.847 1.00 73.44 C ATOM 1372 C GLU A 87 7.959 12.254 -8.277 1.00 23.50 C ATOM 1373 O GLU A 87 7.146 12.851 -7.572 1.00 11.02 O ATOM 1374 CB GLU A 87 10.249 13.264 -8.508 1.00 20.34 C ATOM 1375 CG GLU A 87 10.366 13.143 -10.026 1.00 43.44 C ATOM 1376 CD GLU A 87 11.104 14.318 -10.647 1.00 72.23 C ATOM 1377 OE1 GLU A 87 12.353 14.313 -10.649 1.00 13.13 O ATOM 1378 OE2 GLU A 87 10.442 15.260 -11.126 1.00 22.34 O ATOM 0 H GLU A 87 10.946 10.899 -8.612 1.00 61.02 H new ATOM 0 HA GLU A 87 9.447 12.246 -6.762 1.00 73.44 H new ATOM 0 HB2 GLU A 87 9.791 14.223 -8.266 1.00 20.34 H new ATOM 0 HB3 GLU A 87 11.250 13.271 -8.077 1.00 20.34 H new ATOM 0 HG2 GLU A 87 10.887 12.218 -10.275 1.00 43.44 H new ATOM 0 HG3 GLU A 87 9.369 13.074 -10.460 1.00 43.44 H new ATOM 1385 N ILE A 88 7.610 11.678 -9.427 1.00 61.31 N ATOM 1386 CA ILE A 88 6.229 11.743 -9.928 1.00 72.34 C ATOM 1387 C ILE A 88 5.309 10.705 -9.244 1.00 74.20 C ATOM 1388 O ILE A 88 4.207 10.420 -9.719 1.00 74.42 O ATOM 1389 CB ILE A 88 6.181 11.598 -11.480 1.00 4.11 C ATOM 1390 CG1 ILE A 88 6.968 10.362 -11.979 1.00 41.41 C ATOM 1391 CG2 ILE A 88 6.714 12.869 -12.143 1.00 73.41 C ATOM 1392 CD1 ILE A 88 6.234 9.045 -11.830 1.00 32.32 C ATOM 0 H ILE A 88 8.255 11.164 -10.028 1.00 61.31 H new ATOM 0 HA ILE A 88 5.846 12.730 -9.669 1.00 72.34 H new ATOM 0 HB ILE A 88 5.138 11.451 -11.761 1.00 4.11 H new ATOM 0 HG12 ILE A 88 7.218 10.507 -13.030 1.00 41.41 H new ATOM 0 HG13 ILE A 88 7.909 10.302 -11.433 1.00 41.41 H new ATOM 0 HG21 ILE A 88 6.676 12.757 -13.227 1.00 73.41 H new ATOM 0 HG22 ILE A 88 6.101 13.720 -11.844 1.00 73.41 H new ATOM 0 HG23 ILE A 88 7.745 13.037 -11.831 1.00 73.41 H new ATOM 0 HD11 ILE A 88 6.860 8.235 -12.205 1.00 32.32 H new ATOM 0 HD12 ILE A 88 6.008 8.872 -10.778 1.00 32.32 H new ATOM 0 HD13 ILE A 88 5.306 9.079 -12.400 1.00 32.32 H new ATOM 1404 N GLY A 89 5.765 10.163 -8.112 1.00 51.23 N ATOM 1405 CA GLY A 89 4.978 9.199 -7.346 1.00 3.43 C ATOM 1406 C GLY A 89 4.963 7.802 -7.961 1.00 45.31 C ATOM 1407 O GLY A 89 3.895 7.219 -8.165 1.00 75.42 O ATOM 0 H GLY A 89 6.676 10.377 -7.707 1.00 51.23 H new ATOM 0 HA2 GLY A 89 5.378 9.138 -6.334 1.00 3.43 H new ATOM 0 HA3 GLY A 89 3.954 9.562 -7.263 1.00 3.43 H new ATOM 1411 N LYS A 90 6.146 7.260 -8.246 1.00 72.44 N ATOM 1412 CA LYS A 90 6.255 5.923 -8.857 1.00 14.53 C ATOM 1413 C LYS A 90 7.159 5.001 -8.021 1.00 30.15 C ATOM 1414 O LYS A 90 8.230 5.403 -7.568 1.00 32.21 O ATOM 1415 CB LYS A 90 6.788 6.047 -10.302 1.00 21.41 C ATOM 1416 CG LYS A 90 6.727 4.761 -11.141 1.00 45.00 C ATOM 1417 CD LYS A 90 7.869 3.792 -10.824 1.00 5.34 C ATOM 1418 CE LYS A 90 7.758 2.491 -11.613 1.00 40.13 C ATOM 1419 NZ LYS A 90 7.941 2.696 -13.074 1.00 54.54 N ATOM 0 H LYS A 90 7.040 7.717 -8.068 1.00 72.44 H new ATOM 0 HA LYS A 90 5.262 5.474 -8.883 1.00 14.53 H new ATOM 0 HB2 LYS A 90 6.220 6.823 -10.815 1.00 21.41 H new ATOM 0 HB3 LYS A 90 7.823 6.385 -10.261 1.00 21.41 H new ATOM 0 HG2 LYS A 90 5.774 4.262 -10.965 1.00 45.00 H new ATOM 0 HG3 LYS A 90 6.760 5.021 -12.199 1.00 45.00 H new ATOM 0 HD2 LYS A 90 8.822 4.271 -11.049 1.00 5.34 H new ATOM 0 HD3 LYS A 90 7.868 3.569 -9.757 1.00 5.34 H new ATOM 0 HE2 LYS A 90 8.506 1.785 -11.252 1.00 40.13 H new ATOM 0 HE3 LYS A 90 6.782 2.042 -11.432 1.00 40.13 H new ATOM 0 HZ1 LYS A 90 7.941 1.775 -13.556 1.00 54.54 H new ATOM 0 HZ2 LYS A 90 7.163 3.280 -13.443 1.00 54.54 H new ATOM 0 HZ3 LYS A 90 8.847 3.177 -13.246 1.00 54.54 H new ATOM 1433 N ILE A 91 6.715 3.758 -7.836 1.00 72.23 N ATOM 1434 CA ILE A 91 7.474 2.741 -7.098 1.00 35.42 C ATOM 1435 C ILE A 91 7.664 1.475 -7.949 1.00 53.51 C ATOM 1436 O ILE A 91 6.699 0.911 -8.467 1.00 1.21 O ATOM 1437 CB ILE A 91 6.757 2.356 -5.782 1.00 51.15 C ATOM 1438 CG1 ILE A 91 6.527 3.602 -4.918 1.00 5.11 C ATOM 1439 CG2 ILE A 91 7.559 1.302 -5.013 1.00 23.34 C ATOM 1440 CD1 ILE A 91 5.710 3.336 -3.676 1.00 54.31 C ATOM 0 H ILE A 91 5.819 3.425 -8.192 1.00 72.23 H new ATOM 0 HA ILE A 91 8.447 3.172 -6.864 1.00 35.42 H new ATOM 0 HB ILE A 91 5.788 1.924 -6.031 1.00 51.15 H new ATOM 0 HG12 ILE A 91 7.493 4.014 -4.626 1.00 5.11 H new ATOM 0 HG13 ILE A 91 6.025 4.361 -5.517 1.00 5.11 H new ATOM 0 HG21 ILE A 91 7.035 1.047 -4.092 1.00 23.34 H new ATOM 0 HG22 ILE A 91 7.668 0.408 -5.627 1.00 23.34 H new ATOM 0 HG23 ILE A 91 8.545 1.699 -4.772 1.00 23.34 H new ATOM 0 HD11 ILE A 91 5.589 4.263 -3.115 1.00 54.31 H new ATOM 0 HD12 ILE A 91 4.730 2.953 -3.960 1.00 54.31 H new ATOM 0 HD13 ILE A 91 6.221 2.600 -3.055 1.00 54.31 H new ATOM 1452 N ALA A 92 8.910 1.036 -8.099 1.00 13.50 N ATOM 1453 CA ALA A 92 9.217 -0.161 -8.889 1.00 32.12 C ATOM 1454 C ALA A 92 8.727 -1.447 -8.200 1.00 73.41 C ATOM 1455 O ALA A 92 9.396 -1.980 -7.311 1.00 52.15 O ATOM 1456 CB ALA A 92 10.715 -0.243 -9.159 1.00 23.12 C ATOM 0 H ALA A 92 9.726 1.488 -7.686 1.00 13.50 H new ATOM 0 HA ALA A 92 8.684 -0.075 -9.836 1.00 32.12 H new ATOM 0 HB1 ALA A 92 10.931 -1.136 -9.746 1.00 23.12 H new ATOM 0 HB2 ALA A 92 11.034 0.641 -9.712 1.00 23.12 H new ATOM 0 HB3 ALA A 92 11.253 -0.293 -8.212 1.00 23.12 H new ATOM 1462 N LEU A 93 7.559 -1.936 -8.621 1.00 25.23 N ATOM 1463 CA LEU A 93 6.975 -3.166 -8.066 1.00 12.14 C ATOM 1464 C LEU A 93 7.959 -4.343 -8.126 1.00 23.43 C ATOM 1465 O LEU A 93 8.233 -4.977 -7.116 1.00 34.45 O ATOM 1466 CB LEU A 93 5.683 -3.532 -8.814 1.00 41.15 C ATOM 1467 CG LEU A 93 4.493 -2.587 -8.574 1.00 62.25 C ATOM 1468 CD1 LEU A 93 3.307 -2.974 -9.455 1.00 64.21 C ATOM 1469 CD2 LEU A 93 4.090 -2.600 -7.102 1.00 24.34 C ATOM 0 H LEU A 93 6.994 -1.499 -9.349 1.00 25.23 H new ATOM 0 HA LEU A 93 6.746 -2.971 -7.018 1.00 12.14 H new ATOM 0 HB2 LEU A 93 5.896 -3.557 -9.883 1.00 41.15 H new ATOM 0 HB3 LEU A 93 5.389 -4.541 -8.524 1.00 41.15 H new ATOM 0 HG LEU A 93 4.801 -1.576 -8.841 1.00 62.25 H new ATOM 0 HD11 LEU A 93 2.477 -2.292 -9.268 1.00 64.21 H new ATOM 0 HD12 LEU A 93 3.598 -2.913 -10.504 1.00 64.21 H new ATOM 0 HD13 LEU A 93 2.998 -3.993 -9.223 1.00 64.21 H new ATOM 0 HD21 LEU A 93 3.247 -1.926 -6.950 1.00 24.34 H new ATOM 0 HD22 LEU A 93 3.804 -3.611 -6.812 1.00 24.34 H new ATOM 0 HD23 LEU A 93 4.931 -2.272 -6.492 1.00 24.34 H new ATOM 1481 N ARG A 94 8.500 -4.612 -9.311 1.00 31.20 N ATOM 1482 CA ARG A 94 9.428 -5.738 -9.508 1.00 52.41 C ATOM 1483 C ARG A 94 10.644 -5.664 -8.560 1.00 61.23 C ATOM 1484 O ARG A 94 11.238 -6.687 -8.212 1.00 43.53 O ATOM 1485 CB ARG A 94 9.911 -5.772 -10.966 1.00 24.44 C ATOM 1486 CG ARG A 94 10.755 -6.997 -11.310 1.00 14.20 C ATOM 1487 CD ARG A 94 11.287 -6.946 -12.738 1.00 75.22 C ATOM 1488 NE ARG A 94 10.215 -6.850 -13.728 1.00 54.24 N ATOM 1489 CZ ARG A 94 10.296 -7.320 -14.943 1.00 71.10 C ATOM 1490 NH1 ARG A 94 11.339 -7.988 -15.321 1.00 33.10 N ATOM 1491 NH2 ARG A 94 9.320 -7.140 -15.770 1.00 2.32 N ATOM 0 H ARG A 94 8.316 -4.069 -10.155 1.00 31.20 H new ATOM 0 HA ARG A 94 8.882 -6.652 -9.275 1.00 52.41 H new ATOM 0 HB2 ARG A 94 9.044 -5.743 -11.626 1.00 24.44 H new ATOM 0 HB3 ARG A 94 10.494 -4.873 -11.166 1.00 24.44 H new ATOM 0 HG2 ARG A 94 11.591 -7.067 -10.615 1.00 14.20 H new ATOM 0 HG3 ARG A 94 10.155 -7.898 -11.179 1.00 14.20 H new ATOM 0 HD2 ARG A 94 11.954 -6.090 -12.844 1.00 75.22 H new ATOM 0 HD3 ARG A 94 11.880 -7.839 -12.934 1.00 75.22 H new ATOM 0 HE ARG A 94 9.349 -6.387 -13.452 1.00 54.24 H new ATOM 0 HH11 ARG A 94 12.105 -8.150 -14.667 1.00 33.10 H new ATOM 0 HH12 ARG A 94 11.394 -8.352 -16.272 1.00 33.10 H new ATOM 0 HH21 ARG A 94 8.487 -6.631 -15.473 1.00 2.32 H new ATOM 0 HH22 ARG A 94 9.382 -7.507 -16.720 1.00 2.32 H new ATOM 1505 N LYS A 95 10.998 -4.452 -8.137 1.00 11.42 N ATOM 1506 CA LYS A 95 12.173 -4.233 -7.284 1.00 61.42 C ATOM 1507 C LYS A 95 11.827 -4.323 -5.784 1.00 61.35 C ATOM 1508 O LYS A 95 12.671 -4.701 -4.969 1.00 32.24 O ATOM 1509 CB LYS A 95 12.792 -2.860 -7.600 1.00 55.12 C ATOM 1510 CG LYS A 95 14.066 -2.551 -6.814 1.00 40.21 C ATOM 1511 CD LYS A 95 14.625 -1.167 -7.149 1.00 70.22 C ATOM 1512 CE LYS A 95 15.004 -1.043 -8.622 1.00 53.02 C ATOM 1513 NZ LYS A 95 15.574 0.291 -8.941 1.00 22.22 N ATOM 0 H LYS A 95 10.487 -3.600 -8.370 1.00 11.42 H new ATOM 0 HA LYS A 95 12.892 -5.024 -7.499 1.00 61.42 H new ATOM 0 HB2 LYS A 95 13.015 -2.811 -8.666 1.00 55.12 H new ATOM 0 HB3 LYS A 95 12.054 -2.085 -7.393 1.00 55.12 H new ATOM 0 HG2 LYS A 95 13.856 -2.608 -5.746 1.00 40.21 H new ATOM 0 HG3 LYS A 95 14.819 -3.308 -7.032 1.00 40.21 H new ATOM 0 HD2 LYS A 95 13.884 -0.407 -6.900 1.00 70.22 H new ATOM 0 HD3 LYS A 95 15.502 -0.971 -6.532 1.00 70.22 H new ATOM 0 HE2 LYS A 95 15.729 -1.817 -8.876 1.00 53.02 H new ATOM 0 HE3 LYS A 95 14.122 -1.217 -9.239 1.00 53.02 H new ATOM 0 HZ1 LYS A 95 15.849 0.320 -9.944 1.00 22.22 H new ATOM 0 HZ2 LYS A 95 14.862 1.026 -8.755 1.00 22.22 H new ATOM 0 HZ3 LYS A 95 16.411 0.462 -8.348 1.00 22.22 H new ATOM 1527 N TYR A 96 10.586 -3.988 -5.423 1.00 55.23 N ATOM 1528 CA TYR A 96 10.180 -3.933 -4.007 1.00 52.31 C ATOM 1529 C TYR A 96 8.957 -4.811 -3.708 1.00 42.55 C ATOM 1530 O TYR A 96 8.363 -4.698 -2.638 1.00 25.03 O ATOM 1531 CB TYR A 96 9.868 -2.486 -3.597 1.00 13.44 C ATOM 1532 CG TYR A 96 11.081 -1.579 -3.547 1.00 53.34 C ATOM 1533 CD1 TYR A 96 12.033 -1.718 -2.542 1.00 40.22 C ATOM 1534 CD2 TYR A 96 11.269 -0.576 -4.492 1.00 63.43 C ATOM 1535 CE1 TYR A 96 13.132 -0.885 -2.476 1.00 21.15 C ATOM 1536 CE2 TYR A 96 12.368 0.257 -4.435 1.00 14.14 C ATOM 1537 CZ TYR A 96 13.295 0.100 -3.426 1.00 42.01 C ATOM 1538 OH TYR A 96 14.383 0.938 -3.362 1.00 75.12 O ATOM 0 H TYR A 96 9.845 -3.751 -6.083 1.00 55.23 H new ATOM 0 HA TYR A 96 11.020 -4.319 -3.429 1.00 52.31 H new ATOM 0 HB2 TYR A 96 9.145 -2.069 -4.299 1.00 13.44 H new ATOM 0 HB3 TYR A 96 9.393 -2.493 -2.616 1.00 13.44 H new ATOM 0 HD1 TYR A 96 11.910 -2.492 -1.799 1.00 40.22 H new ATOM 0 HD2 TYR A 96 10.544 -0.447 -5.282 1.00 63.43 H new ATOM 0 HE1 TYR A 96 13.859 -1.004 -1.686 1.00 21.15 H new ATOM 0 HE2 TYR A 96 12.502 1.029 -5.178 1.00 14.14 H new ATOM 0 HH TYR A 96 14.499 1.254 -2.442 1.00 75.12 H new ATOM 1548 N LYS A 97 8.582 -5.685 -4.635 1.00 50.22 N ATOM 1549 CA LYS A 97 7.391 -6.515 -4.457 1.00 74.04 C ATOM 1550 C LYS A 97 7.498 -7.408 -3.211 1.00 41.12 C ATOM 1551 O LYS A 97 8.509 -8.080 -2.994 1.00 32.04 O ATOM 1552 CB LYS A 97 7.152 -7.378 -5.699 1.00 50.42 C ATOM 1553 CG LYS A 97 5.818 -8.105 -5.678 1.00 72.53 C ATOM 1554 CD LYS A 97 5.601 -8.915 -6.949 1.00 4.42 C ATOM 1555 CE LYS A 97 4.326 -9.749 -6.879 1.00 64.20 C ATOM 1556 NZ LYS A 97 3.108 -8.904 -6.752 1.00 1.05 N ATOM 0 H LYS A 97 9.080 -5.839 -5.512 1.00 50.22 H new ATOM 0 HA LYS A 97 6.544 -5.843 -4.315 1.00 74.04 H new ATOM 0 HB2 LYS A 97 7.200 -6.747 -6.586 1.00 50.42 H new ATOM 0 HB3 LYS A 97 7.955 -8.110 -5.785 1.00 50.42 H new ATOM 0 HG2 LYS A 97 5.777 -8.767 -4.813 1.00 72.53 H new ATOM 0 HG3 LYS A 97 5.011 -7.382 -5.565 1.00 72.53 H new ATOM 0 HD2 LYS A 97 5.548 -8.242 -7.804 1.00 4.42 H new ATOM 0 HD3 LYS A 97 6.456 -9.571 -7.112 1.00 4.42 H new ATOM 0 HE2 LYS A 97 4.247 -10.365 -7.775 1.00 64.20 H new ATOM 0 HE3 LYS A 97 4.385 -10.429 -6.029 1.00 64.20 H new ATOM 0 HZ1 LYS A 97 2.734 -8.977 -5.784 1.00 1.05 H new ATOM 0 HZ2 LYS A 97 3.350 -7.913 -6.956 1.00 1.05 H new ATOM 0 HZ3 LYS A 97 2.387 -9.231 -7.427 1.00 1.05 H new ATOM 1570 N TRP A 98 6.446 -7.401 -2.398 1.00 32.14 N ATOM 1571 CA TRP A 98 6.383 -8.222 -1.189 1.00 4.12 C ATOM 1572 C TRP A 98 6.594 -9.711 -1.501 1.00 31.35 C ATOM 1573 O TRP A 98 5.889 -10.297 -2.326 1.00 61.34 O ATOM 1574 CB TRP A 98 5.030 -8.005 -0.495 1.00 23.30 C ATOM 1575 CG TRP A 98 4.763 -8.919 0.670 1.00 74.14 C ATOM 1576 CD1 TRP A 98 5.660 -9.370 1.597 1.00 33.13 C ATOM 1577 CD2 TRP A 98 3.495 -9.478 1.036 1.00 73.43 C ATOM 1578 NE1 TRP A 98 5.027 -10.177 2.509 1.00 25.03 N ATOM 1579 CE2 TRP A 98 3.699 -10.258 2.187 1.00 0.34 C ATOM 1580 CE3 TRP A 98 2.210 -9.396 0.497 1.00 41.40 C ATOM 1581 CZ2 TRP A 98 2.666 -10.950 2.809 1.00 2.22 C ATOM 1582 CZ3 TRP A 98 1.182 -10.079 1.116 1.00 71.23 C ATOM 1583 CH2 TRP A 98 1.416 -10.849 2.265 1.00 0.44 C ATOM 0 H TRP A 98 5.616 -6.830 -2.556 1.00 32.14 H new ATOM 0 HA TRP A 98 7.190 -7.915 -0.524 1.00 4.12 H new ATOM 0 HB2 TRP A 98 4.977 -6.973 -0.148 1.00 23.30 H new ATOM 0 HB3 TRP A 98 4.236 -8.135 -1.230 1.00 23.30 H new ATOM 0 HD1 TRP A 98 6.712 -9.127 1.610 1.00 33.13 H new ATOM 0 HE1 TRP A 98 5.474 -10.642 3.299 1.00 25.03 H new ATOM 0 HE3 TRP A 98 2.023 -8.808 -0.389 1.00 41.40 H new ATOM 0 HZ2 TRP A 98 2.845 -11.547 3.691 1.00 2.22 H new ATOM 0 HZ3 TRP A 98 0.183 -10.020 0.710 1.00 71.23 H new ATOM 0 HH2 TRP A 98 0.593 -11.372 2.729 1.00 0.44 H new ATOM 1594 N GLN A 99 7.581 -10.313 -0.839 1.00 55.04 N ATOM 1595 CA GLN A 99 7.853 -11.744 -0.973 1.00 74.00 C ATOM 1596 C GLN A 99 7.459 -12.503 0.306 1.00 55.10 C ATOM 1597 O GLN A 99 8.274 -12.652 1.220 1.00 64.55 O ATOM 1598 CB GLN A 99 9.342 -11.981 -1.268 1.00 0.43 C ATOM 1599 CG GLN A 99 9.814 -11.411 -2.601 1.00 32.21 C ATOM 1600 CD GLN A 99 11.317 -11.546 -2.797 1.00 12.04 C ATOM 1601 OE1 GLN A 99 12.090 -11.500 -1.844 1.00 64.02 O ATOM 1602 NE2 GLN A 99 11.748 -11.723 -4.030 1.00 70.53 N ATOM 0 H GLN A 99 8.210 -9.828 -0.200 1.00 55.04 H new ATOM 0 HA GLN A 99 7.254 -12.120 -1.803 1.00 74.00 H new ATOM 0 HB2 GLN A 99 9.934 -11.539 -0.467 1.00 0.43 H new ATOM 0 HB3 GLN A 99 9.537 -13.053 -1.255 1.00 0.43 H new ATOM 0 HG2 GLN A 99 9.298 -11.923 -3.414 1.00 32.21 H new ATOM 0 HG3 GLN A 99 9.537 -10.358 -2.660 1.00 32.21 H new ATOM 0 HE21 GLN A 99 11.083 -11.757 -4.803 1.00 70.53 H new ATOM 0 HE22 GLN A 99 12.746 -11.826 -4.211 1.00 70.53 H new ATOM 1611 N PRO A 100 6.197 -12.965 0.412 1.00 21.44 N ATOM 1612 CA PRO A 100 5.769 -13.812 1.534 1.00 1.21 C ATOM 1613 C PRO A 100 6.445 -15.190 1.485 1.00 11.45 C ATOM 1614 O PRO A 100 6.855 -15.734 2.511 1.00 3.05 O ATOM 1615 CB PRO A 100 4.251 -13.934 1.338 1.00 40.23 C ATOM 1616 CG PRO A 100 4.033 -13.680 -0.117 1.00 70.05 C ATOM 1617 CD PRO A 100 5.093 -12.694 -0.531 1.00 72.22 C ATOM 0 HA PRO A 100 6.039 -13.392 2.503 1.00 1.21 H new ATOM 0 HB2 PRO A 100 3.893 -14.923 1.625 1.00 40.23 H new ATOM 0 HB3 PRO A 100 3.714 -13.210 1.951 1.00 40.23 H new ATOM 0 HG2 PRO A 100 4.114 -14.603 -0.690 1.00 70.05 H new ATOM 0 HG3 PRO A 100 3.036 -13.279 -0.298 1.00 70.05 H new ATOM 0 HD2 PRO A 100 5.401 -12.846 -1.565 1.00 72.22 H new ATOM 0 HD3 PRO A 100 4.739 -11.666 -0.451 1.00 72.22 H new