USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 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 105 ASN : amide:sc= 0.0971 K(o=0.089,f=-1.2) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 175:sc=-0.00813 (180deg=-0.275) USER MOD Set 2.1: A 63 CYS SG : rot -70:sc= -1.65 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 1 ALA N :NH3+ 143:sc= 0.0145 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.001 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.083) USER MOD Single : A 11 GLN : amide:sc= -0.0219 K(o=-0.022,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= -0.0273 (180deg=-1.57!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 0.394 K(o=0.39,f=-1.4) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0515 X(o=-0.051,f=-0.051) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.34) USER MOD Single : A 58 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.57) USER MOD Single : A 62 HIS : no HD1:sc= -2.98 K(o=-3,f=-8.4!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 67 LYS NZ :NH3+ -127:sc= -0.155 (180deg=-1.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00517) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.612 -8.647 -3.772 1.00 0.00 N ATOM 2 CA ALA A 1 12.462 -7.985 -5.075 1.00 0.00 C ATOM 3 C ALA A 1 10.998 -7.733 -5.386 1.00 0.00 C ATOM 4 O ALA A 1 10.142 -8.573 -5.119 1.00 0.00 O ATOM 5 CB ALA A 1 13.107 -8.729 -6.228 1.00 0.00 C ATOM 0 H1 ALA A 1 13.390 -9.335 -3.820 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.823 -7.936 -3.043 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.729 -9.140 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 1 12.995 -7.039 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.950 -8.173 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.176 -8.831 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.659 -9.718 -6.319 1.00 0.00 H new ATOM 11 N LEU A 2 10.725 -6.587 -6.012 1.00 0.00 N ATOM 12 CA LEU A 2 9.379 -6.162 -6.381 1.00 0.00 C ATOM 13 C LEU A 2 8.686 -7.163 -7.308 1.00 0.00 C ATOM 14 O LEU A 2 8.988 -7.229 -8.505 1.00 0.00 O ATOM 15 CB LEU A 2 9.356 -4.773 -7.037 1.00 0.00 C ATOM 16 CG LEU A 2 10.221 -3.708 -6.340 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.494 -3.486 -7.169 1.00 0.00 C ATOM 18 CD2 LEU A 2 9.424 -2.416 -6.144 1.00 0.00 C ATOM 0 H LEU A 2 11.447 -5.919 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 2 8.831 -6.112 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.690 -4.871 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.325 -4.419 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 2 10.512 -4.049 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.116 -2.733 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.048 -4.422 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.223 -3.145 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.050 -1.673 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.105 -2.034 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.548 -2.619 -5.528 1.00 0.00 H new ATOM 30 N THR A 3 7.691 -7.857 -6.776 1.00 0.00 N ATOM 31 CA THR A 3 6.870 -8.854 -7.453 1.00 0.00 C ATOM 32 C THR A 3 5.395 -8.517 -7.199 1.00 0.00 C ATOM 33 O THR A 3 5.077 -7.790 -6.257 1.00 0.00 O ATOM 34 CB THR A 3 7.306 -10.220 -6.902 1.00 0.00 C ATOM 35 OG1 THR A 3 8.463 -10.631 -7.600 1.00 0.00 O ATOM 36 CG2 THR A 3 6.298 -11.364 -6.993 1.00 0.00 C ATOM 0 H THR A 3 7.417 -7.733 -5.801 1.00 0.00 H new ATOM 0 HA THR A 3 6.995 -8.869 -8.536 1.00 0.00 H new ATOM 0 HB THR A 3 7.451 -10.044 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.758 -11.502 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.735 -12.268 -6.569 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.398 -11.101 -6.438 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.041 -11.541 -8.038 1.00 0.00 H new ATOM 44 N THR A 4 4.489 -9.058 -8.010 1.00 0.00 N ATOM 45 CA THR A 4 3.054 -8.837 -7.890 1.00 0.00 C ATOM 46 C THR A 4 2.353 -10.060 -7.299 1.00 0.00 C ATOM 47 O THR A 4 2.845 -11.195 -7.405 1.00 0.00 O ATOM 48 CB THR A 4 2.447 -8.440 -9.248 1.00 0.00 C ATOM 49 OG1 THR A 4 2.930 -9.266 -10.286 1.00 0.00 O ATOM 50 CG2 THR A 4 2.755 -6.999 -9.648 1.00 0.00 C ATOM 0 H THR A 4 4.739 -9.674 -8.784 1.00 0.00 H new ATOM 0 HA THR A 4 2.896 -8.008 -7.200 1.00 0.00 H new ATOM 0 HB THR A 4 1.371 -8.556 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.527 -8.992 -11.136 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.298 -6.784 -10.614 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.353 -6.319 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.834 -6.864 -9.719 1.00 0.00 H new ATOM 58 N ILE A 5 1.193 -9.825 -6.685 1.00 0.00 N ATOM 59 CA ILE A 5 0.341 -10.826 -6.055 1.00 0.00 C ATOM 60 C ILE A 5 -1.129 -10.519 -6.386 1.00 0.00 C ATOM 61 O ILE A 5 -1.422 -9.423 -6.882 1.00 0.00 O ATOM 62 CB ILE A 5 0.642 -10.947 -4.538 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.071 -9.827 -3.638 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.147 -11.148 -4.263 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.528 -8.408 -3.968 1.00 0.00 C ATOM 0 H ILE A 5 0.806 -8.884 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 5 0.558 -11.815 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 5 0.093 -11.843 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.017 -9.860 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.342 -10.044 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.313 -11.228 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.487 -12.061 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.705 -10.297 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.066 -7.706 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.613 -8.345 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.232 -8.158 -4.987 1.00 0.00 H new ATOM 77 N SER A 6 -2.036 -11.474 -6.133 1.00 0.00 N ATOM 78 CA SER A 6 -3.465 -11.311 -6.406 1.00 0.00 C ATOM 79 C SER A 6 -4.043 -10.108 -5.646 1.00 0.00 C ATOM 80 O SER A 6 -3.512 -9.730 -4.598 1.00 0.00 O ATOM 81 CB SER A 6 -4.228 -12.576 -5.977 1.00 0.00 C ATOM 82 OG SER A 6 -4.212 -13.598 -6.954 1.00 0.00 O ATOM 0 H SER A 6 -1.795 -12.381 -5.733 1.00 0.00 H new ATOM 0 HA SER A 6 -3.581 -11.143 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.793 -12.959 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.262 -12.311 -5.756 1.00 0.00 H new ATOM 0 HG SER A 6 -4.710 -14.374 -6.623 1.00 0.00 H new ATOM 88 N PRO A 7 -5.199 -9.566 -6.075 1.00 0.00 N ATOM 89 CA PRO A 7 -5.829 -8.428 -5.411 1.00 0.00 C ATOM 90 C PRO A 7 -6.308 -8.722 -3.978 1.00 0.00 C ATOM 91 O PRO A 7 -6.710 -7.790 -3.285 1.00 0.00 O ATOM 92 CB PRO A 7 -6.965 -7.982 -6.340 1.00 0.00 C ATOM 93 CG PRO A 7 -7.291 -9.238 -7.148 1.00 0.00 C ATOM 94 CD PRO A 7 -5.933 -9.920 -7.284 1.00 0.00 C ATOM 0 HA PRO A 7 -5.101 -7.631 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.830 -7.634 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.654 -7.161 -6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.012 -9.873 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.719 -8.993 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.043 -11.001 -7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.409 -9.577 -8.176 1.00 0.00 H new ATOM 102 N HIS A 8 -6.259 -9.984 -3.538 1.00 0.00 N ATOM 103 CA HIS A 8 -6.655 -10.449 -2.213 1.00 0.00 C ATOM 104 C HIS A 8 -5.444 -10.985 -1.431 1.00 0.00 C ATOM 105 O HIS A 8 -5.416 -10.900 -0.204 1.00 0.00 O ATOM 106 CB HIS A 8 -7.738 -11.525 -2.392 1.00 0.00 C ATOM 107 CG HIS A 8 -8.427 -11.941 -1.115 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.741 -11.687 -0.774 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.878 -12.699 -0.115 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.966 -12.254 0.423 1.00 0.00 C ATOM 111 NE2 HIS A 8 -8.868 -12.902 0.849 1.00 0.00 N ATOM 0 H HIS A 8 -5.924 -10.744 -4.130 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.057 -9.622 -1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.488 -11.154 -3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.285 -12.405 -2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.865 -13.072 -0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.898 -12.197 0.966 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.776 -13.439 1.711 1.00 0.00 H new ATOM 119 N ASP A 9 -4.418 -11.485 -2.131 1.00 0.00 N ATOM 120 CA ASP A 9 -3.194 -12.048 -1.544 1.00 0.00 C ATOM 121 C ASP A 9 -2.518 -11.063 -0.603 1.00 0.00 C ATOM 122 O ASP A 9 -1.947 -11.467 0.406 1.00 0.00 O ATOM 123 CB ASP A 9 -2.160 -12.398 -2.628 1.00 0.00 C ATOM 124 CG ASP A 9 -2.221 -13.800 -3.221 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.525 -14.002 -4.246 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.965 -14.658 -2.692 1.00 0.00 O ATOM 0 H ASP A 9 -4.416 -11.510 -3.151 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.509 -12.941 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.269 -11.682 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.166 -12.253 -2.206 1.00 0.00 H new ATOM 131 N ALA A 10 -2.553 -9.770 -0.934 1.00 0.00 N ATOM 132 CA ALA A 10 -1.940 -8.758 -0.095 1.00 0.00 C ATOM 133 C ALA A 10 -2.532 -8.821 1.312 1.00 0.00 C ATOM 134 O ALA A 10 -1.777 -8.886 2.280 1.00 0.00 O ATOM 135 CB ALA A 10 -2.135 -7.374 -0.709 1.00 0.00 C ATOM 0 H ALA A 10 -3.000 -9.408 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.869 -8.949 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.670 -6.624 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.674 -7.346 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.201 -7.163 -0.800 1.00 0.00 H new ATOM 141 N GLN A 11 -3.867 -8.778 1.414 1.00 0.00 N ATOM 142 CA GLN A 11 -4.607 -8.809 2.666 1.00 0.00 C ATOM 143 C GLN A 11 -4.203 -10.011 3.499 1.00 0.00 C ATOM 144 O GLN A 11 -3.836 -9.840 4.654 1.00 0.00 O ATOM 145 CB GLN A 11 -6.107 -8.753 2.374 1.00 0.00 C ATOM 146 CG GLN A 11 -6.883 -8.104 3.529 1.00 0.00 C ATOM 147 CD GLN A 11 -7.512 -9.110 4.497 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.980 -10.180 4.763 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.669 -8.802 5.058 1.00 0.00 N ATOM 0 H GLN A 11 -4.474 -8.719 0.596 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.361 -7.933 3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.279 -8.189 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.483 -9.762 2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.209 -7.452 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.669 -7.472 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.120 -7.913 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.111 -9.454 5.706 1.00 0.00 H new ATOM 158 N GLU A 12 -4.216 -11.195 2.896 1.00 0.00 N ATOM 159 CA GLU A 12 -3.831 -12.452 3.525 1.00 0.00 C ATOM 160 C GLU A 12 -2.444 -12.325 4.151 1.00 0.00 C ATOM 161 O GLU A 12 -2.223 -12.793 5.263 1.00 0.00 O ATOM 162 CB GLU A 12 -3.841 -13.510 2.420 1.00 0.00 C ATOM 163 CG GLU A 12 -3.548 -14.926 2.901 1.00 0.00 C ATOM 164 CD GLU A 12 -4.683 -15.561 3.701 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.800 -15.678 3.145 1.00 0.00 O ATOM 166 OE2 GLU A 12 -4.446 -15.974 4.860 1.00 0.00 O ATOM 0 H GLU A 12 -4.504 -11.309 1.924 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.518 -12.726 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.816 -13.499 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.104 -13.236 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.332 -15.554 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.649 -14.910 3.517 1.00 0.00 H new ATOM 173 N LEU A 13 -1.493 -11.688 3.470 1.00 0.00 N ATOM 174 CA LEU A 13 -0.143 -11.564 4.003 1.00 0.00 C ATOM 175 C LEU A 13 -0.130 -10.595 5.173 1.00 0.00 C ATOM 176 O LEU A 13 0.504 -10.881 6.191 1.00 0.00 O ATOM 177 CB LEU A 13 0.830 -11.174 2.886 1.00 0.00 C ATOM 178 CG LEU A 13 0.935 -12.276 1.810 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.583 -11.688 0.563 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.747 -13.487 2.273 1.00 0.00 C ATOM 0 H LEU A 13 -1.632 -11.255 2.557 1.00 0.00 H new ATOM 0 HA LEU A 13 0.194 -12.526 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.499 -10.244 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.816 -10.985 3.311 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.076 -12.627 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.662 -12.459 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.973 -10.866 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.578 -11.319 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.785 -14.227 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.760 -13.172 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.276 -13.927 3.152 1.00 0.00 H new ATOM 192 N ILE A 14 -0.818 -9.459 5.043 1.00 0.00 N ATOM 193 CA ILE A 14 -0.917 -8.436 6.079 1.00 0.00 C ATOM 194 C ILE A 14 -1.575 -9.050 7.320 1.00 0.00 C ATOM 195 O ILE A 14 -1.086 -8.840 8.430 1.00 0.00 O ATOM 196 CB ILE A 14 -1.664 -7.189 5.548 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.948 -6.530 4.346 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.779 -6.111 6.632 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.943 -5.933 3.341 1.00 0.00 C ATOM 0 H ILE A 14 -1.332 -9.222 4.195 1.00 0.00 H new ATOM 0 HA ILE A 14 0.076 -8.088 6.365 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.644 -7.553 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.282 -5.746 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.326 -7.271 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.308 -5.247 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.329 -6.510 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.782 -5.809 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.397 -5.481 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.592 -6.721 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.547 -5.173 3.835 1.00 0.00 H new ATOM 211 N ALA A 15 -2.630 -9.853 7.149 1.00 0.00 N ATOM 212 CA ALA A 15 -3.348 -10.504 8.236 1.00 0.00 C ATOM 213 C ALA A 15 -2.409 -11.437 9.005 1.00 0.00 C ATOM 214 O ALA A 15 -2.438 -11.465 10.238 1.00 0.00 O ATOM 215 CB ALA A 15 -4.561 -11.257 7.681 1.00 0.00 C ATOM 0 H ALA A 15 -3.013 -10.070 6.229 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.711 -9.750 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.094 -11.742 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.227 -10.555 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.226 -12.011 6.969 1.00 0.00 H new ATOM 221 N ARG A 16 -1.553 -12.183 8.298 1.00 0.00 N ATOM 222 CA ARG A 16 -0.599 -13.090 8.937 1.00 0.00 C ATOM 223 C ARG A 16 0.511 -12.308 9.654 1.00 0.00 C ATOM 224 O ARG A 16 1.067 -12.819 10.625 1.00 0.00 O ATOM 225 CB ARG A 16 -0.017 -14.060 7.907 1.00 0.00 C ATOM 226 CG ARG A 16 -1.052 -14.971 7.217 1.00 0.00 C ATOM 227 CD ARG A 16 -0.317 -15.593 6.032 1.00 0.00 C ATOM 228 NE ARG A 16 -1.135 -16.463 5.173 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.744 -16.855 3.951 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.481 -16.571 3.523 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.555 -17.522 3.142 1.00 0.00 N ATOM 0 H ARG A 16 -1.503 -12.175 7.279 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.129 -13.671 9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.506 -13.485 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.727 -14.687 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.417 -15.738 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.919 -14.400 6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.097 -14.791 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.525 -16.172 6.411 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.039 -16.782 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.124 -16.055 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.778 -16.869 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.502 -17.749 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.232 -17.808 2.218 1.00 0.00 H new ATOM 245 N GLY A 17 0.843 -11.091 9.201 1.00 0.00 N ATOM 246 CA GLY A 17 1.872 -10.272 9.833 1.00 0.00 C ATOM 247 C GLY A 17 2.560 -9.223 8.955 1.00 0.00 C ATOM 248 O GLY A 17 3.292 -8.392 9.510 1.00 0.00 O ATOM 0 H GLY A 17 0.405 -10.654 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.423 -9.760 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.639 -10.937 10.230 1.00 0.00 H new ATOM 252 N ALA A 18 2.366 -9.244 7.628 1.00 0.00 N ATOM 253 CA ALA A 18 2.962 -8.290 6.685 1.00 0.00 C ATOM 254 C ALA A 18 2.391 -6.874 6.900 1.00 0.00 C ATOM 255 O ALA A 18 1.600 -6.640 7.814 1.00 0.00 O ATOM 256 CB ALA A 18 2.757 -8.775 5.236 1.00 0.00 C ATOM 0 H ALA A 18 1.777 -9.941 7.172 1.00 0.00 H new ATOM 0 HA ALA A 18 4.035 -8.236 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.203 -8.059 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.232 -9.748 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.690 -8.862 5.029 1.00 0.00 H new ATOM 262 N LYS A 19 2.756 -5.908 6.051 1.00 0.00 N ATOM 263 CA LYS A 19 2.286 -4.522 6.156 1.00 0.00 C ATOM 264 C LYS A 19 1.829 -3.978 4.810 1.00 0.00 C ATOM 265 O LYS A 19 2.254 -4.461 3.762 1.00 0.00 O ATOM 266 CB LYS A 19 3.419 -3.655 6.731 1.00 0.00 C ATOM 267 CG LYS A 19 3.104 -3.070 8.113 1.00 0.00 C ATOM 268 CD LYS A 19 2.063 -1.943 8.104 1.00 0.00 C ATOM 269 CE LYS A 19 1.574 -1.562 9.509 1.00 0.00 C ATOM 270 NZ LYS A 19 2.629 -1.237 10.487 1.00 0.00 N ATOM 0 H LYS A 19 3.389 -6.066 5.267 1.00 0.00 H new ATOM 0 HA LYS A 19 1.422 -4.495 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.326 -4.255 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.627 -2.839 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.748 -3.871 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.027 -2.692 8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.493 -1.063 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.209 -2.250 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.908 -0.703 9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.980 -2.387 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.670 -1.980 11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.546 -1.177 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.416 -0.324 10.937 1.00 0.00 H new ATOM 284 N LEU A 20 1.022 -2.917 4.839 1.00 0.00 N ATOM 285 CA LEU A 20 0.490 -2.259 3.658 1.00 0.00 C ATOM 286 C LEU A 20 0.943 -0.816 3.654 1.00 0.00 C ATOM 287 O LEU A 20 0.513 -0.038 4.511 1.00 0.00 O ATOM 288 CB LEU A 20 -1.029 -2.345 3.655 1.00 0.00 C ATOM 289 CG LEU A 20 -1.665 -1.848 2.354 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.946 -2.275 1.082 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.113 -2.345 2.274 1.00 0.00 C ATOM 0 H LEU A 20 0.716 -2.484 5.710 1.00 0.00 H new ATOM 0 HA LEU A 20 0.860 -2.753 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.327 -3.380 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.420 -1.761 4.488 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.599 -0.761 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.472 -1.875 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.075 -1.893 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.926 -3.363 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.568 -1.992 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.125 -3.435 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.677 -1.962 3.124 1.00 0.00 H new ATOM 303 N ILE A 21 1.841 -0.478 2.732 1.00 0.00 N ATOM 304 CA ILE A 21 2.380 0.861 2.612 1.00 0.00 C ATOM 305 C ILE A 21 1.784 1.507 1.375 1.00 0.00 C ATOM 306 O ILE A 21 2.154 1.230 0.234 1.00 0.00 O ATOM 307 CB ILE A 21 3.922 0.905 2.693 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.425 0.835 4.155 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.474 2.232 2.127 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.842 -0.284 5.020 1.00 0.00 C ATOM 0 H ILE A 21 2.213 -1.135 2.046 1.00 0.00 H new ATOM 0 HA ILE A 21 2.084 1.458 3.475 1.00 0.00 H new ATOM 0 HB ILE A 21 4.267 0.046 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.509 0.725 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.208 1.788 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.562 2.233 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.178 2.333 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.072 3.067 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.270 -0.230 6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.760 -0.170 5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.081 -1.250 4.575 1.00 0.00 H new ATOM 322 N ASP A 22 0.759 2.305 1.609 1.00 0.00 N ATOM 323 CA ASP A 22 0.112 3.045 0.552 1.00 0.00 C ATOM 324 C ASP A 22 0.977 4.283 0.326 1.00 0.00 C ATOM 325 O ASP A 22 1.346 4.958 1.302 1.00 0.00 O ATOM 326 CB ASP A 22 -1.293 3.458 0.936 1.00 0.00 C ATOM 327 CG ASP A 22 -1.909 3.987 -0.347 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.489 3.157 -1.084 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.700 5.178 -0.651 1.00 0.00 O ATOM 0 H ASP A 22 0.356 2.455 2.534 1.00 0.00 H new ATOM 0 HA ASP A 22 0.019 2.434 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.860 2.613 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.282 4.222 1.713 1.00 0.00 H new ATOM 334 N ILE A 23 1.306 4.560 -0.935 1.00 0.00 N ATOM 335 CA ILE A 23 2.135 5.686 -1.350 1.00 0.00 C ATOM 336 C ILE A 23 1.375 6.709 -2.217 1.00 0.00 C ATOM 337 O ILE A 23 2.038 7.505 -2.884 1.00 0.00 O ATOM 338 CB ILE A 23 3.442 5.159 -2.011 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.172 4.464 -3.363 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.220 4.193 -1.099 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.408 3.857 -4.040 1.00 0.00 C ATOM 0 H ILE A 23 0.992 3.988 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 23 2.416 6.251 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 23 4.053 6.046 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.437 3.674 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.723 5.188 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.122 3.857 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.495 4.705 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.594 3.332 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.116 3.393 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.139 4.642 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.849 3.105 -3.386 1.00 0.00 H new ATOM 353 N ARG A 24 0.031 6.698 -2.264 1.00 0.00 N ATOM 354 CA ARG A 24 -0.799 7.602 -3.073 1.00 0.00 C ATOM 355 C ARG A 24 -0.562 9.083 -2.768 1.00 0.00 C ATOM 356 O ARG A 24 0.298 9.712 -3.378 1.00 0.00 O ATOM 357 CB ARG A 24 -2.294 7.246 -2.916 1.00 0.00 C ATOM 358 CG ARG A 24 -2.718 5.893 -3.504 1.00 0.00 C ATOM 359 CD ARG A 24 -4.053 5.356 -2.955 1.00 0.00 C ATOM 360 NE ARG A 24 -5.036 6.402 -2.629 1.00 0.00 N ATOM 361 CZ ARG A 24 -6.201 6.186 -2.001 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.646 4.952 -1.779 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.923 7.204 -1.549 1.00 0.00 N ATOM 0 H ARG A 24 -0.524 6.037 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.497 7.453 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.542 7.254 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.887 8.029 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.796 5.989 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.935 5.161 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.489 4.680 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.854 4.768 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.815 7.360 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.098 4.149 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.535 4.809 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.593 8.160 -1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.808 7.030 -1.073 1.00 0.00 H new ATOM 377 N ASP A 25 -1.351 9.675 -1.875 1.00 0.00 N ATOM 378 CA ASP A 25 -1.290 11.075 -1.479 1.00 0.00 C ATOM 379 C ASP A 25 -1.918 11.129 -0.094 1.00 0.00 C ATOM 380 O ASP A 25 -2.939 10.480 0.131 1.00 0.00 O ATOM 381 CB ASP A 25 -2.102 11.942 -2.459 1.00 0.00 C ATOM 382 CG ASP A 25 -1.234 12.526 -3.574 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.499 13.500 -3.298 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.309 12.053 -4.736 1.00 0.00 O ATOM 0 H ASP A 25 -2.086 9.164 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.268 11.453 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.898 11.341 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.581 12.754 -1.911 1.00 0.00 H new ATOM 389 N ALA A 26 -1.334 11.909 0.813 1.00 0.00 N ATOM 390 CA ALA A 26 -1.790 12.055 2.188 1.00 0.00 C ATOM 391 C ALA A 26 -3.244 12.491 2.345 1.00 0.00 C ATOM 392 O ALA A 26 -4.011 11.786 3.002 1.00 0.00 O ATOM 393 CB ALA A 26 -0.847 13.005 2.922 1.00 0.00 C ATOM 0 H ALA A 26 -0.509 12.471 0.603 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.763 11.060 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.179 13.122 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.163 12.596 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.851 13.976 2.427 1.00 0.00 H new ATOM 399 N ASP A 27 -3.635 13.624 1.758 1.00 0.00 N ATOM 400 CA ASP A 27 -5.005 14.133 1.870 1.00 0.00 C ATOM 401 C ASP A 27 -6.007 13.128 1.296 1.00 0.00 C ATOM 402 O ASP A 27 -7.088 12.940 1.853 1.00 0.00 O ATOM 403 CB ASP A 27 -5.143 15.496 1.179 1.00 0.00 C ATOM 404 CG ASP A 27 -4.366 16.598 1.900 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.827 17.098 2.952 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.300 17.017 1.396 1.00 0.00 O ATOM 0 H ASP A 27 -3.018 14.211 1.196 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.228 14.268 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.787 15.417 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.197 15.771 1.131 1.00 0.00 H new ATOM 411 N GLU A 28 -5.644 12.445 0.206 1.00 0.00 N ATOM 412 CA GLU A 28 -6.493 11.448 -0.433 1.00 0.00 C ATOM 413 C GLU A 28 -6.633 10.190 0.432 1.00 0.00 C ATOM 414 O GLU A 28 -7.553 9.410 0.200 1.00 0.00 O ATOM 415 CB GLU A 28 -5.904 11.073 -1.793 1.00 0.00 C ATOM 416 CG GLU A 28 -6.081 12.177 -2.849 1.00 0.00 C ATOM 417 CD GLU A 28 -7.548 12.318 -3.279 1.00 0.00 C ATOM 418 OE1 GLU A 28 -8.222 13.300 -2.904 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.069 11.422 -3.987 1.00 0.00 O ATOM 0 H GLU A 28 -4.744 12.573 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.485 11.880 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.842 10.857 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.378 10.158 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.726 13.126 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.466 11.950 -3.720 1.00 0.00 H new ATOM 426 N TYR A 29 -5.744 9.960 1.397 1.00 0.00 N ATOM 427 CA TYR A 29 -5.790 8.815 2.308 1.00 0.00 C ATOM 428 C TYR A 29 -6.408 9.221 3.656 1.00 0.00 C ATOM 429 O TYR A 29 -6.710 8.380 4.503 1.00 0.00 O ATOM 430 CB TYR A 29 -4.377 8.252 2.502 1.00 0.00 C ATOM 431 CG TYR A 29 -4.315 6.737 2.419 1.00 0.00 C ATOM 432 CD1 TYR A 29 -3.933 5.942 3.517 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.665 6.118 1.207 1.00 0.00 C ATOM 434 CE1 TYR A 29 -3.913 4.537 3.404 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.696 4.720 1.101 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.328 3.920 2.201 1.00 0.00 C ATOM 437 OH TYR A 29 -4.444 2.567 2.115 1.00 0.00 O ATOM 0 H TYR A 29 -4.952 10.579 1.572 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.420 8.039 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.717 8.677 1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.997 8.571 3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.654 6.411 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.913 6.725 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.581 3.932 4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.002 4.256 0.175 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.742 2.321 1.214 1.00 0.00 H new ATOM 447 N LEU A 30 -6.597 10.521 3.875 1.00 0.00 N ATOM 448 CA LEU A 30 -7.179 11.063 5.092 1.00 0.00 C ATOM 449 C LEU A 30 -8.669 10.731 5.146 1.00 0.00 C ATOM 450 O LEU A 30 -9.146 10.199 6.144 1.00 0.00 O ATOM 451 CB LEU A 30 -6.948 12.583 5.135 1.00 0.00 C ATOM 452 CG LEU A 30 -7.301 13.225 6.488 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.304 12.857 7.591 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.309 14.746 6.315 1.00 0.00 C ATOM 0 H LEU A 30 -6.343 11.238 3.195 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.701 10.615 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.902 12.789 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.543 13.054 4.353 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.278 12.850 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.600 13.336 8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.294 11.775 7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.308 13.197 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.558 15.219 7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.324 15.080 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.051 15.023 5.567 1.00 0.00 H new ATOM 466 N ARG A 31 -9.404 11.055 4.075 1.00 0.00 N ATOM 467 CA ARG A 31 -10.847 10.832 3.950 1.00 0.00 C ATOM 468 C ARG A 31 -11.219 9.367 4.128 1.00 0.00 C ATOM 469 O ARG A 31 -11.782 9.003 5.161 1.00 0.00 O ATOM 470 CB ARG A 31 -11.346 11.362 2.611 1.00 0.00 C ATOM 471 CG ARG A 31 -11.395 12.886 2.561 1.00 0.00 C ATOM 472 CD ARG A 31 -12.027 13.221 1.221 1.00 0.00 C ATOM 473 NE ARG A 31 -12.263 14.661 1.034 1.00 0.00 N ATOM 474 CZ ARG A 31 -13.339 15.172 0.427 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.426 14.423 0.250 1.00 0.00 N ATOM 476 NH2 ARG A 31 -13.332 16.427 -0.012 1.00 0.00 N ATOM 0 H ARG A 31 -8.998 11.492 3.248 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.337 11.382 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.696 10.997 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.342 10.964 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.984 13.288 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.396 13.315 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.381 12.859 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.974 12.690 1.131 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.562 15.310 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.439 13.457 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.246 14.815 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.502 17.007 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.157 16.810 -0.474 1.00 0.00 H new ATOM 490 N GLU A 32 -10.972 8.543 3.110 1.00 0.00 N ATOM 491 CA GLU A 32 -11.253 7.117 3.152 1.00 0.00 C ATOM 492 C GLU A 32 -10.006 6.352 2.726 1.00 0.00 C ATOM 493 O GLU A 32 -9.377 6.680 1.719 1.00 0.00 O ATOM 494 CB GLU A 32 -12.518 6.681 2.390 1.00 0.00 C ATOM 495 CG GLU A 32 -12.762 7.194 0.959 1.00 0.00 C ATOM 496 CD GLU A 32 -13.770 8.350 0.904 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.424 9.514 0.598 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.982 8.106 1.121 1.00 0.00 O ATOM 0 H GLU A 32 -10.567 8.854 2.227 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.497 6.866 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.514 5.592 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.378 6.974 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.816 7.523 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.124 6.373 0.341 1.00 0.00 H new ATOM 505 N HIS A 33 -9.648 5.313 3.484 1.00 0.00 N ATOM 506 CA HIS A 33 -8.469 4.497 3.219 1.00 0.00 C ATOM 507 C HIS A 33 -8.678 3.052 3.668 1.00 0.00 C ATOM 508 O HIS A 33 -9.820 2.650 3.915 1.00 0.00 O ATOM 509 CB HIS A 33 -7.270 5.132 3.926 1.00 0.00 C ATOM 510 CG HIS A 33 -7.318 5.145 5.435 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.579 4.336 6.273 1.00 0.00 N ATOM 512 CD2 HIS A 33 -8.023 6.018 6.220 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.811 4.727 7.533 1.00 0.00 C ATOM 514 NE2 HIS A 33 -7.698 5.740 7.555 1.00 0.00 N ATOM 0 H HIS A 33 -10.175 5.015 4.305 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.284 4.464 2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.369 4.602 3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.171 6.160 3.577 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.965 3.575 5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.705 6.781 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.351 4.291 8.408 1.00 0.00 H new ATOM 522 N ILE A 34 -7.615 2.244 3.682 1.00 0.00 N ATOM 523 CA ILE A 34 -7.650 0.853 4.114 1.00 0.00 C ATOM 524 C ILE A 34 -7.168 0.870 5.577 1.00 0.00 C ATOM 525 O ILE A 34 -6.173 1.537 5.866 1.00 0.00 O ATOM 526 CB ILE A 34 -6.750 -0.032 3.228 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.202 0.066 1.754 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.799 -1.499 3.707 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.261 -0.679 0.814 1.00 0.00 C ATOM 0 H ILE A 34 -6.688 2.550 3.386 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.650 0.427 4.029 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.722 0.322 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.208 -0.341 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.252 1.114 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.159 -2.111 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.449 -1.557 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.824 -1.866 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.619 -0.582 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.260 -0.255 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.231 -1.733 1.090 1.00 0.00 H new ATOM 541 N PRO A 35 -7.826 0.145 6.495 1.00 0.00 N ATOM 542 CA PRO A 35 -7.456 0.100 7.910 1.00 0.00 C ATOM 543 C PRO A 35 -6.148 -0.653 8.145 1.00 0.00 C ATOM 544 O PRO A 35 -5.387 -0.321 9.046 1.00 0.00 O ATOM 545 CB PRO A 35 -8.609 -0.627 8.603 1.00 0.00 C ATOM 546 CG PRO A 35 -9.232 -1.484 7.501 1.00 0.00 C ATOM 547 CD PRO A 35 -8.996 -0.671 6.240 1.00 0.00 C ATOM 0 HA PRO A 35 -7.294 1.106 8.296 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.252 -1.241 9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.332 0.077 9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.760 -2.464 7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.295 -1.652 7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.836 -1.323 5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.861 -0.049 6.011 1.00 0.00 H new ATOM 555 N GLU A 36 -5.886 -1.658 7.311 1.00 0.00 N ATOM 556 CA GLU A 36 -4.704 -2.503 7.357 1.00 0.00 C ATOM 557 C GLU A 36 -3.453 -1.786 6.829 1.00 0.00 C ATOM 558 O GLU A 36 -2.379 -2.392 6.780 1.00 0.00 O ATOM 559 CB GLU A 36 -4.991 -3.801 6.580 1.00 0.00 C ATOM 560 CG GLU A 36 -6.088 -4.662 7.224 1.00 0.00 C ATOM 561 CD GLU A 36 -5.629 -5.329 8.527 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.531 -6.572 8.566 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.413 -4.623 9.541 1.00 0.00 O ATOM 0 H GLU A 36 -6.521 -1.913 6.555 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.486 -2.746 8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.287 -3.549 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.074 -4.385 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.960 -4.040 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.402 -5.431 6.518 1.00 0.00 H new ATOM 570 N ALA A 37 -3.571 -0.523 6.409 1.00 0.00 N ATOM 571 CA ALA A 37 -2.480 0.285 5.897 1.00 0.00 C ATOM 572 C ALA A 37 -2.275 1.503 6.771 1.00 0.00 C ATOM 573 O ALA A 37 -3.086 1.792 7.652 1.00 0.00 O ATOM 574 CB ALA A 37 -2.801 0.758 4.476 1.00 0.00 C ATOM 0 H ALA A 37 -4.462 -0.026 6.420 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.576 -0.324 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.977 1.364 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.941 -0.107 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.713 1.354 4.488 1.00 0.00 H new ATOM 580 N ASP A 38 -1.161 2.186 6.538 1.00 0.00 N ATOM 581 CA ASP A 38 -0.868 3.416 7.284 1.00 0.00 C ATOM 582 C ASP A 38 -1.088 4.588 6.342 1.00 0.00 C ATOM 583 O ASP A 38 -2.231 4.985 6.141 1.00 0.00 O ATOM 584 CB ASP A 38 0.511 3.407 7.942 1.00 0.00 C ATOM 585 CG ASP A 38 0.823 4.670 8.774 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.789 4.611 9.569 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.144 5.714 8.653 1.00 0.00 O ATOM 0 H ASP A 38 -0.454 1.921 5.853 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.547 3.504 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.588 2.532 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.270 3.299 7.167 1.00 0.00 H new ATOM 592 N LEU A 39 -0.015 5.087 5.731 1.00 0.00 N ATOM 593 CA LEU A 39 0.097 6.200 4.802 1.00 0.00 C ATOM 594 C LEU A 39 1.577 6.569 4.808 1.00 0.00 C ATOM 595 O LEU A 39 2.151 6.790 5.872 1.00 0.00 O ATOM 596 CB LEU A 39 -0.703 7.420 5.282 1.00 0.00 C ATOM 597 CG LEU A 39 -0.387 8.719 4.531 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.613 8.584 3.016 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.246 9.838 5.109 1.00 0.00 C ATOM 0 H LEU A 39 0.900 4.669 5.898 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.286 5.922 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.767 7.205 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.509 7.572 6.344 1.00 0.00 H new ATOM 0 HG LEU A 39 0.670 8.951 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.376 9.529 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.032 7.799 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.655 8.328 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.032 10.769 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.300 9.587 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.021 9.959 6.169 1.00 0.00 H new ATOM 611 N ALA A 40 2.217 6.597 3.650 1.00 0.00 N ATOM 612 CA ALA A 40 3.619 6.953 3.495 1.00 0.00 C ATOM 613 C ALA A 40 3.700 7.460 2.050 1.00 0.00 C ATOM 614 O ALA A 40 4.078 6.708 1.158 1.00 0.00 O ATOM 615 CB ALA A 40 4.526 5.757 3.828 1.00 0.00 C ATOM 0 H ALA A 40 1.763 6.366 2.766 1.00 0.00 H new ATOM 0 HA ALA A 40 3.975 7.721 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.570 6.047 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.355 5.446 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.298 4.929 3.157 1.00 0.00 H new ATOM 621 N PRO A 41 3.261 8.699 1.784 1.00 0.00 N ATOM 622 CA PRO A 41 3.245 9.247 0.442 1.00 0.00 C ATOM 623 C PRO A 41 4.641 9.370 -0.124 1.00 0.00 C ATOM 624 O PRO A 41 5.616 9.564 0.611 1.00 0.00 O ATOM 625 CB PRO A 41 2.574 10.620 0.552 1.00 0.00 C ATOM 626 CG PRO A 41 2.779 11.006 2.011 1.00 0.00 C ATOM 627 CD PRO A 41 2.816 9.681 2.752 1.00 0.00 C ATOM 0 HA PRO A 41 2.702 8.592 -0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.031 11.344 -0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.516 10.570 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.706 11.564 2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.969 11.640 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.496 9.728 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.832 9.425 3.144 1.00 0.00 H new ATOM 635 N LEU A 42 4.726 9.358 -1.455 1.00 0.00 N ATOM 636 CA LEU A 42 6.011 9.491 -2.122 1.00 0.00 C ATOM 637 C LEU A 42 6.639 10.844 -1.746 1.00 0.00 C ATOM 638 O LEU A 42 7.859 10.986 -1.702 1.00 0.00 O ATOM 639 CB LEU A 42 5.861 9.349 -3.635 1.00 0.00 C ATOM 640 CG LEU A 42 6.980 8.570 -4.352 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.237 8.180 -3.557 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.368 7.270 -4.862 1.00 0.00 C ATOM 0 H LEU A 42 3.927 9.259 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 42 6.672 8.690 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.911 8.855 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.803 10.347 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 42 7.341 9.269 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.925 7.638 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.725 9.080 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.954 7.545 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.131 6.687 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.980 6.696 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.556 7.497 -5.552 1.00 0.00 H new ATOM 654 N SER A 43 5.799 11.840 -1.439 1.00 0.00 N ATOM 655 CA SER A 43 6.178 13.187 -1.027 1.00 0.00 C ATOM 656 C SER A 43 6.998 13.172 0.278 1.00 0.00 C ATOM 657 O SER A 43 7.679 14.149 0.581 1.00 0.00 O ATOM 658 CB SER A 43 4.903 14.038 -0.862 1.00 0.00 C ATOM 659 OG SER A 43 5.108 15.416 -1.111 1.00 0.00 O ATOM 0 H SER A 43 4.787 11.717 -1.475 1.00 0.00 H new ATOM 0 HA SER A 43 6.814 13.624 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.136 13.664 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.521 13.913 0.151 1.00 0.00 H new ATOM 0 HG SER A 43 4.264 15.899 -0.992 1.00 0.00 H new ATOM 665 N VAL A 44 6.972 12.074 1.039 1.00 0.00 N ATOM 666 CA VAL A 44 7.701 11.904 2.294 1.00 0.00 C ATOM 667 C VAL A 44 8.801 10.846 2.118 1.00 0.00 C ATOM 668 O VAL A 44 9.906 11.012 2.640 1.00 0.00 O ATOM 669 CB VAL A 44 6.678 11.578 3.408 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.326 11.144 4.729 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.787 12.804 3.678 1.00 0.00 C ATOM 0 H VAL A 44 6.423 11.252 0.787 1.00 0.00 H new ATOM 0 HA VAL A 44 8.219 12.817 2.589 1.00 0.00 H new ATOM 0 HB VAL A 44 6.091 10.736 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.549 10.932 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.924 10.248 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.967 11.944 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.070 12.566 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.408 13.642 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.252 13.073 2.767 1.00 0.00 H new ATOM 681 N LEU A 45 8.549 9.790 1.338 1.00 0.00 N ATOM 682 CA LEU A 45 9.515 8.719 1.085 1.00 0.00 C ATOM 683 C LEU A 45 10.773 9.267 0.415 1.00 0.00 C ATOM 684 O LEU A 45 11.879 8.955 0.848 1.00 0.00 O ATOM 685 CB LEU A 45 8.862 7.629 0.222 1.00 0.00 C ATOM 686 CG LEU A 45 8.161 6.501 1.008 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.177 5.458 1.469 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.390 6.956 2.247 1.00 0.00 C ATOM 0 H LEU A 45 7.658 9.654 0.860 1.00 0.00 H new ATOM 0 HA LEU A 45 9.815 8.281 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.132 8.099 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.627 7.185 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 45 7.439 6.095 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.665 4.670 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.675 5.027 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.917 5.931 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.934 6.092 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.074 7.441 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.612 7.660 1.953 1.00 0.00 H new ATOM 700 N GLU A 46 10.603 10.116 -0.597 1.00 0.00 N ATOM 701 CA GLU A 46 11.717 10.731 -1.321 1.00 0.00 C ATOM 702 C GLU A 46 12.578 11.655 -0.438 1.00 0.00 C ATOM 703 O GLU A 46 13.724 11.968 -0.762 1.00 0.00 O ATOM 704 CB GLU A 46 11.160 11.575 -2.474 1.00 0.00 C ATOM 705 CG GLU A 46 10.750 10.735 -3.696 1.00 0.00 C ATOM 706 CD GLU A 46 11.357 11.206 -5.020 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.411 10.669 -5.426 1.00 0.00 O ATOM 708 OE2 GLU A 46 10.721 12.021 -5.732 1.00 0.00 O ATOM 0 H GLU A 46 9.685 10.399 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 46 12.349 9.916 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.295 12.136 -2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.911 12.304 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.043 9.699 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.664 10.749 -3.783 1.00 0.00 H new ATOM 715 N GLN A 47 11.995 12.135 0.657 1.00 0.00 N ATOM 716 CA GLN A 47 12.596 13.044 1.620 1.00 0.00 C ATOM 717 C GLN A 47 13.341 12.346 2.761 1.00 0.00 C ATOM 718 O GLN A 47 14.561 12.466 2.866 1.00 0.00 O ATOM 719 CB GLN A 47 11.505 13.965 2.180 1.00 0.00 C ATOM 720 CG GLN A 47 10.719 14.687 1.090 1.00 0.00 C ATOM 721 CD GLN A 47 11.608 15.366 0.065 1.00 0.00 C ATOM 722 OE1 GLN A 47 12.421 16.225 0.389 1.00 0.00 O ATOM 723 NE2 GLN A 47 11.501 14.944 -1.177 1.00 0.00 N ATOM 0 H GLN A 47 11.038 11.885 0.907 1.00 0.00 H new ATOM 0 HA GLN A 47 13.355 13.616 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.817 13.377 2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.963 14.702 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.071 13.972 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.071 15.433 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.815 14.228 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.104 15.333 -1.902 1.00 0.00 H new ATOM 732 N SER A 48 12.588 11.660 3.622 1.00 0.00 N ATOM 733 CA SER A 48 13.048 10.949 4.807 1.00 0.00 C ATOM 734 C SER A 48 13.075 9.433 4.634 1.00 0.00 C ATOM 735 O SER A 48 13.913 8.767 5.245 1.00 0.00 O ATOM 736 CB SER A 48 12.057 11.329 5.917 1.00 0.00 C ATOM 737 OG SER A 48 12.106 10.509 7.070 1.00 0.00 O ATOM 0 H SER A 48 11.578 11.584 3.499 1.00 0.00 H new ATOM 0 HA SER A 48 14.077 11.230 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.246 12.360 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.047 11.296 5.509 1.00 0.00 H new ATOM 0 HG SER A 48 11.446 10.823 7.723 1.00 0.00 H new ATOM 743 N GLY A 49 12.173 8.870 3.835 1.00 0.00 N ATOM 744 CA GLY A 49 12.117 7.431 3.635 1.00 0.00 C ATOM 745 C GLY A 49 11.097 6.785 4.554 1.00 0.00 C ATOM 746 O GLY A 49 10.337 7.462 5.247 1.00 0.00 O ATOM 0 H GLY A 49 11.469 9.394 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.862 7.216 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.100 6.998 3.818 1.00 0.00 H new ATOM 750 N LEU A 50 11.047 5.455 4.521 1.00 0.00 N ATOM 751 CA LEU A 50 10.111 4.687 5.326 1.00 0.00 C ATOM 752 C LEU A 50 10.447 4.843 6.820 1.00 0.00 C ATOM 753 O LEU A 50 11.632 4.765 7.168 1.00 0.00 O ATOM 754 CB LEU A 50 10.156 3.219 4.871 1.00 0.00 C ATOM 755 CG LEU A 50 8.953 2.410 5.379 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.658 2.775 4.639 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.211 0.921 5.173 1.00 0.00 C ATOM 0 H LEU A 50 11.655 4.884 3.935 1.00 0.00 H new ATOM 0 HA LEU A 50 9.095 5.058 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.183 3.180 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.077 2.759 5.229 1.00 0.00 H new ATOM 0 HG LEU A 50 8.831 2.646 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.834 2.178 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.441 3.833 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.778 2.573 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.356 0.350 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.359 0.721 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.103 0.627 5.725 1.00 0.00 H new ATOM 769 N PRO A 51 9.454 5.065 7.703 1.00 0.00 N ATOM 770 CA PRO A 51 9.688 5.222 9.131 1.00 0.00 C ATOM 771 C PRO A 51 10.028 3.881 9.778 1.00 0.00 C ATOM 772 O PRO A 51 9.630 2.817 9.293 1.00 0.00 O ATOM 773 CB PRO A 51 8.377 5.766 9.709 1.00 0.00 C ATOM 774 CG PRO A 51 7.311 5.250 8.754 1.00 0.00 C ATOM 775 CD PRO A 51 8.032 5.181 7.411 1.00 0.00 C ATOM 0 HA PRO A 51 10.528 5.890 9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.210 5.408 10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.381 6.855 9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.939 4.272 9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.452 5.919 8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.686 4.326 6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.831 6.073 6.818 1.00 0.00 H new ATOM 783 N ALA A 52 10.651 3.943 10.959 1.00 0.00 N ATOM 784 CA ALA A 52 11.047 2.764 11.721 1.00 0.00 C ATOM 785 C ALA A 52 9.845 1.912 12.163 1.00 0.00 C ATOM 786 O ALA A 52 10.024 0.787 12.624 1.00 0.00 O ATOM 787 CB ALA A 52 11.902 3.183 12.922 1.00 0.00 C ATOM 0 H ALA A 52 10.895 4.823 11.413 1.00 0.00 H new ATOM 0 HA ALA A 52 11.641 2.130 11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.194 2.298 13.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.795 3.700 12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.326 3.849 13.564 1.00 0.00 H new ATOM 793 N LYS A 53 8.615 2.417 12.034 1.00 0.00 N ATOM 794 CA LYS A 53 7.404 1.700 12.412 1.00 0.00 C ATOM 795 C LYS A 53 6.933 0.770 11.297 1.00 0.00 C ATOM 796 O LYS A 53 6.784 -0.426 11.532 1.00 0.00 O ATOM 797 CB LYS A 53 6.289 2.697 12.789 1.00 0.00 C ATOM 798 CG LYS A 53 6.694 3.729 13.852 1.00 0.00 C ATOM 799 CD LYS A 53 7.077 3.082 15.188 1.00 0.00 C ATOM 800 CE LYS A 53 7.565 4.182 16.125 1.00 0.00 C ATOM 801 NZ LYS A 53 7.902 3.656 17.457 1.00 0.00 N ATOM 0 H LYS A 53 8.435 3.348 11.659 1.00 0.00 H new ATOM 0 HA LYS A 53 7.637 1.084 13.280 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.971 3.225 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.426 2.138 13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.536 4.315 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.869 4.423 14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.220 2.566 15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.857 2.335 15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.441 4.665 15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.794 4.947 16.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.230 4.434 18.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.060 3.217 17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.656 2.945 17.369 1.00 0.00 H new ATOM 815 N LEU A 54 6.739 1.293 10.083 1.00 0.00 N ATOM 816 CA LEU A 54 6.239 0.567 8.901 1.00 0.00 C ATOM 817 C LEU A 54 7.205 -0.419 8.223 1.00 0.00 C ATOM 818 O LEU A 54 6.780 -1.144 7.330 1.00 0.00 O ATOM 819 CB LEU A 54 5.826 1.621 7.847 1.00 0.00 C ATOM 820 CG LEU A 54 4.609 2.476 8.245 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.396 3.638 7.266 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.332 1.637 8.294 1.00 0.00 C ATOM 0 H LEU A 54 6.933 2.274 9.884 1.00 0.00 H new ATOM 0 HA LEU A 54 5.424 -0.053 9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.673 2.281 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.606 1.112 6.909 1.00 0.00 H new ATOM 0 HG LEU A 54 4.820 2.874 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.529 4.221 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.280 4.276 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.228 3.243 6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.491 2.270 8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.144 1.203 7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.449 0.839 9.027 1.00 0.00 H new ATOM 834 N ARG A 55 8.481 -0.464 8.605 1.00 0.00 N ATOM 835 CA ARG A 55 9.565 -1.305 8.063 1.00 0.00 C ATOM 836 C ARG A 55 9.493 -2.797 8.395 1.00 0.00 C ATOM 837 O ARG A 55 10.515 -3.459 8.594 1.00 0.00 O ATOM 838 CB ARG A 55 10.915 -0.725 8.495 1.00 0.00 C ATOM 839 CG ARG A 55 11.031 -0.720 10.019 1.00 0.00 C ATOM 840 CD ARG A 55 12.385 -1.205 10.492 1.00 0.00 C ATOM 841 NE ARG A 55 12.519 -2.670 10.429 1.00 0.00 N ATOM 842 CZ ARG A 55 13.507 -3.362 11.003 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.400 -2.731 11.755 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.621 -4.674 10.825 1.00 0.00 N ATOM 0 H ARG A 55 8.817 0.132 9.362 1.00 0.00 H new ATOM 0 HA ARG A 55 9.441 -1.272 6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.725 -1.314 8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.021 0.290 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.858 0.290 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.252 -1.353 10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.164 -0.747 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.547 -0.873 11.518 1.00 0.00 H new ATOM 0 HE ARG A 55 11.810 -3.191 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.330 -1.723 11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.157 -3.254 12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.947 -5.170 10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.382 -5.185 11.272 1.00 0.00 H new ATOM 858 N HIS A 56 8.284 -3.296 8.570 1.00 0.00 N ATOM 859 CA HIS A 56 8.035 -4.705 8.866 1.00 0.00 C ATOM 860 C HIS A 56 8.727 -5.624 7.844 1.00 0.00 C ATOM 861 O HIS A 56 9.003 -5.237 6.710 1.00 0.00 O ATOM 862 CB HIS A 56 6.526 -4.987 8.937 1.00 0.00 C ATOM 863 CG HIS A 56 5.968 -5.073 10.335 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.598 -4.732 11.518 1.00 0.00 N ATOM 865 CD2 HIS A 56 4.706 -5.501 10.646 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.743 -4.973 12.523 1.00 0.00 C ATOM 867 NE2 HIS A 56 4.588 -5.455 12.039 1.00 0.00 N ATOM 0 H HIS A 56 7.435 -2.734 8.511 1.00 0.00 H new ATOM 0 HA HIS A 56 8.466 -4.924 9.843 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.997 -4.202 8.397 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.320 -5.924 8.420 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.945 -5.815 9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.953 -4.804 13.569 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.774 -5.736 12.586 1.00 0.00 H new ATOM 875 N GLU A 57 8.915 -6.882 8.251 1.00 0.00 N ATOM 876 CA GLU A 57 9.571 -7.958 7.510 1.00 0.00 C ATOM 877 C GLU A 57 9.218 -8.024 6.026 1.00 0.00 C ATOM 878 O GLU A 57 10.104 -8.190 5.183 1.00 0.00 O ATOM 879 CB GLU A 57 9.261 -9.310 8.163 1.00 0.00 C ATOM 880 CG GLU A 57 9.596 -9.361 9.659 1.00 0.00 C ATOM 881 CD GLU A 57 10.107 -10.749 10.023 1.00 0.00 C ATOM 882 OE1 GLU A 57 9.298 -11.624 10.397 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.327 -10.980 9.880 1.00 0.00 O ATOM 0 H GLU A 57 8.591 -7.194 9.166 1.00 0.00 H new ATOM 0 HA GLU A 57 10.636 -7.730 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.203 -9.535 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.821 -10.090 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.350 -8.611 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.711 -9.123 10.248 1.00 0.00 H new ATOM 890 N GLN A 58 7.929 -7.946 5.709 1.00 0.00 N ATOM 891 CA GLN A 58 7.406 -7.984 4.360 1.00 0.00 C ATOM 892 C GLN A 58 6.309 -6.944 4.296 1.00 0.00 C ATOM 893 O GLN A 58 5.498 -6.838 5.223 1.00 0.00 O ATOM 894 CB GLN A 58 6.856 -9.375 4.019 1.00 0.00 C ATOM 895 CG GLN A 58 7.870 -10.530 4.172 1.00 0.00 C ATOM 896 CD GLN A 58 7.570 -11.482 5.337 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.418 -11.785 5.617 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.573 -12.009 6.022 1.00 0.00 N ATOM 0 H GLN A 58 7.199 -7.851 6.415 1.00 0.00 H new ATOM 0 HA GLN A 58 8.191 -7.774 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.997 -9.577 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.492 -9.364 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.892 -11.104 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.866 -10.108 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.535 -11.759 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.384 -12.665 6.780 1.00 0.00 H new ATOM 907 N ILE A 59 6.301 -6.157 3.226 1.00 0.00 N ATOM 908 CA ILE A 59 5.313 -5.121 3.019 1.00 0.00 C ATOM 909 C ILE A 59 4.882 -5.149 1.554 1.00 0.00 C ATOM 910 O ILE A 59 5.582 -5.688 0.694 1.00 0.00 O ATOM 911 CB ILE A 59 5.838 -3.737 3.484 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.571 -2.983 2.351 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.667 -3.796 4.787 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.166 -1.633 2.751 1.00 0.00 C ATOM 0 H ILE A 59 6.988 -6.226 2.476 1.00 0.00 H new ATOM 0 HA ILE A 59 4.433 -5.308 3.634 1.00 0.00 H new ATOM 0 HB ILE A 59 4.952 -3.154 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.372 -3.618 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.873 -2.826 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.001 -2.793 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.052 -4.198 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.534 -4.439 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.658 -1.183 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.371 -0.974 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.893 -1.778 3.550 1.00 0.00 H new ATOM 926 N ILE A 60 3.754 -4.521 1.251 1.00 0.00 N ATOM 927 CA ILE A 60 3.212 -4.439 -0.100 1.00 0.00 C ATOM 928 C ILE A 60 2.909 -2.964 -0.351 1.00 0.00 C ATOM 929 O ILE A 60 2.480 -2.267 0.572 1.00 0.00 O ATOM 930 CB ILE A 60 1.974 -5.360 -0.239 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.280 -6.834 0.143 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.421 -5.328 -1.675 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.583 -7.270 1.436 1.00 0.00 C ATOM 0 H ILE A 60 3.180 -4.046 1.948 1.00 0.00 H new ATOM 0 HA ILE A 60 3.914 -4.793 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 60 1.231 -4.971 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.967 -7.488 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.357 -6.959 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.553 -5.983 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.129 -4.309 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.190 -5.669 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.834 -8.308 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.915 -6.638 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.504 -7.175 1.318 1.00 0.00 H new ATOM 945 N PHE A 61 3.179 -2.472 -1.563 1.00 0.00 N ATOM 946 CA PHE A 61 2.918 -1.093 -1.946 1.00 0.00 C ATOM 947 C PHE A 61 1.634 -1.054 -2.766 1.00 0.00 C ATOM 948 O PHE A 61 1.358 -1.991 -3.525 1.00 0.00 O ATOM 949 CB PHE A 61 4.055 -0.483 -2.782 1.00 0.00 C ATOM 950 CG PHE A 61 5.412 -0.340 -2.121 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.530 0.327 -0.891 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.572 -0.797 -2.774 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.791 0.521 -0.308 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.840 -0.533 -2.232 1.00 0.00 C ATOM 955 CZ PHE A 61 7.947 0.135 -1.002 1.00 0.00 C ATOM 0 H PHE A 61 3.590 -3.031 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 61 2.833 -0.506 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.179 -1.093 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.736 0.506 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.645 0.693 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.486 -1.353 -3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.871 0.966 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.730 -0.843 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.921 0.352 -0.589 1.00 0.00 H new ATOM 965 N HIS A 62 0.844 0.007 -2.616 1.00 0.00 N ATOM 966 CA HIS A 62 -0.403 0.231 -3.341 1.00 0.00 C ATOM 967 C HIS A 62 -0.418 1.700 -3.773 1.00 0.00 C ATOM 968 O HIS A 62 0.141 2.576 -3.105 1.00 0.00 O ATOM 969 CB HIS A 62 -1.665 -0.085 -2.500 1.00 0.00 C ATOM 970 CG HIS A 62 -1.987 -1.546 -2.244 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.088 -2.588 -2.227 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.195 -2.058 -1.831 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.728 -3.685 -1.787 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.016 -3.413 -1.552 1.00 0.00 N ATOM 0 H HIS A 62 1.063 0.760 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.437 -0.447 -4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.559 0.411 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.523 0.367 -2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.120 -1.508 -1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.267 -4.651 -1.643 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.729 -4.069 -1.231 1.00 0.00 H new ATOM 982 N CYS A 63 -1.053 1.940 -4.916 1.00 0.00 N ATOM 983 CA CYS A 63 -1.270 3.213 -5.584 1.00 0.00 C ATOM 984 C CYS A 63 -2.706 3.165 -6.121 1.00 0.00 C ATOM 985 O CYS A 63 -3.455 2.230 -5.830 1.00 0.00 O ATOM 986 CB CYS A 63 -0.267 3.424 -6.731 1.00 0.00 C ATOM 987 SG CYS A 63 1.362 3.890 -6.120 1.00 0.00 S ATOM 0 H CYS A 63 -1.467 1.173 -5.446 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.124 4.046 -4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.187 2.508 -7.317 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.639 4.199 -7.401 1.00 0.00 H new ATOM 0 HG CYS A 63 1.316 5.096 -5.637 1.00 0.00 H new ATOM 993 N GLN A 64 -3.116 4.167 -6.903 1.00 0.00 N ATOM 994 CA GLN A 64 -4.459 4.198 -7.485 1.00 0.00 C ATOM 995 C GLN A 64 -4.644 2.955 -8.370 1.00 0.00 C ATOM 996 O GLN A 64 -5.718 2.350 -8.385 1.00 0.00 O ATOM 997 CB GLN A 64 -4.642 5.496 -8.274 1.00 0.00 C ATOM 998 CG GLN A 64 -4.667 6.707 -7.324 1.00 0.00 C ATOM 999 CD GLN A 64 -4.445 8.029 -8.047 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -3.509 8.154 -8.838 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.247 9.040 -7.762 1.00 0.00 N ATOM 0 H GLN A 64 -2.535 4.969 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.220 4.177 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.831 5.608 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.570 5.454 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.626 6.738 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.898 6.581 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.015 8.912 -7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.098 9.949 -8.200 1.00 0.00 H new ATOM 1010 N ALA A 65 -3.583 2.595 -9.099 1.00 0.00 N ATOM 1011 CA ALA A 65 -3.433 1.466 -9.989 1.00 0.00 C ATOM 1012 C ALA A 65 -1.956 1.077 -9.791 1.00 0.00 C ATOM 1013 O ALA A 65 -1.531 0.917 -8.647 1.00 0.00 O ATOM 1014 CB ALA A 65 -3.803 1.880 -11.415 1.00 0.00 C ATOM 0 H ALA A 65 -2.728 3.151 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.086 0.616 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.689 1.026 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.838 2.222 -11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.147 2.687 -11.742 1.00 0.00 H new ATOM 1020 N GLY A 66 -1.145 1.051 -10.851 1.00 0.00 N ATOM 1021 CA GLY A 66 0.283 0.698 -10.819 1.00 0.00 C ATOM 1022 C GLY A 66 1.240 1.785 -11.338 1.00 0.00 C ATOM 1023 O GLY A 66 2.448 1.715 -11.121 1.00 0.00 O ATOM 0 H GLY A 66 -1.472 1.282 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.558 0.455 -9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.431 -0.206 -11.411 1.00 0.00 H new ATOM 1027 N LYS A 67 0.709 2.856 -11.936 1.00 0.00 N ATOM 1028 CA LYS A 67 1.431 3.992 -12.529 1.00 0.00 C ATOM 1029 C LYS A 67 2.467 4.758 -11.695 1.00 0.00 C ATOM 1030 O LYS A 67 3.109 5.661 -12.238 1.00 0.00 O ATOM 1031 CB LYS A 67 0.409 4.977 -13.107 1.00 0.00 C ATOM 1032 CG LYS A 67 -0.494 5.644 -12.053 1.00 0.00 C ATOM 1033 CD LYS A 67 -1.492 6.663 -12.625 1.00 0.00 C ATOM 1034 CE LYS A 67 -0.838 7.906 -13.250 1.00 0.00 C ATOM 1035 NZ LYS A 67 -0.432 7.715 -14.659 1.00 0.00 N ATOM 0 H LYS A 67 -0.302 2.962 -12.026 1.00 0.00 H new ATOM 0 HA LYS A 67 2.063 3.509 -13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.941 5.754 -13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.219 4.451 -13.826 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.048 4.869 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.136 6.144 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.104 6.170 -13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.164 6.982 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.535 8.742 -13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.038 8.180 -12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.569 7.973 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.565 6.719 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.015 8.319 -15.273 1.00 0.00 H new ATOM 1049 N ARG A 68 2.618 4.511 -10.395 1.00 0.00 N ATOM 1050 CA ARG A 68 3.605 5.216 -9.561 1.00 0.00 C ATOM 1051 C ARG A 68 4.499 4.243 -8.807 1.00 0.00 C ATOM 1052 O ARG A 68 5.639 4.575 -8.498 1.00 0.00 O ATOM 1053 CB ARG A 68 2.920 6.216 -8.615 1.00 0.00 C ATOM 1054 CG ARG A 68 2.405 7.448 -9.376 1.00 0.00 C ATOM 1055 CD ARG A 68 2.190 8.635 -8.432 1.00 0.00 C ATOM 1056 NE ARG A 68 1.884 9.874 -9.164 1.00 0.00 N ATOM 1057 CZ ARG A 68 2.752 10.630 -9.849 1.00 0.00 C ATOM 1058 NH1 ARG A 68 4.044 10.332 -9.918 1.00 0.00 N ATOM 1059 NH2 ARG A 68 2.305 11.696 -10.489 1.00 0.00 N ATOM 0 H ARG A 68 2.065 3.821 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 68 4.251 5.788 -10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.089 5.727 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.624 6.531 -7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.119 7.723 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.468 7.204 -9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.374 8.409 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.084 8.783 -7.827 1.00 0.00 H new ATOM 0 HE ARG A 68 0.914 10.189 -9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.403 9.505 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.678 10.930 -10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.313 11.932 -10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.952 12.283 -11.016 1.00 0.00 H new ATOM 1073 N THR A 69 4.011 3.037 -8.570 1.00 0.00 N ATOM 1074 CA THR A 69 4.698 1.965 -7.873 1.00 0.00 C ATOM 1075 C THR A 69 5.815 1.433 -8.760 1.00 0.00 C ATOM 1076 O THR A 69 6.989 1.700 -8.504 1.00 0.00 O ATOM 1077 CB THR A 69 3.686 0.866 -7.495 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.471 1.054 -8.199 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.420 0.857 -5.990 1.00 0.00 C ATOM 0 H THR A 69 3.076 2.766 -8.875 1.00 0.00 H new ATOM 0 HA THR A 69 5.146 2.331 -6.949 1.00 0.00 H new ATOM 0 HB THR A 69 4.116 -0.096 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.837 0.349 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.702 0.072 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.352 0.670 -5.457 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.015 1.822 -5.686 1.00 0.00 H new ATOM 1087 N SER A 70 5.475 0.717 -9.838 1.00 0.00 N ATOM 1088 CA SER A 70 6.492 0.175 -10.729 1.00 0.00 C ATOM 1089 C SER A 70 7.352 1.315 -11.287 1.00 0.00 C ATOM 1090 O SER A 70 8.546 1.149 -11.516 1.00 0.00 O ATOM 1091 CB SER A 70 5.834 -0.641 -11.847 1.00 0.00 C ATOM 1092 OG SER A 70 4.976 0.184 -12.610 1.00 0.00 O ATOM 0 H SER A 70 4.514 0.504 -10.107 1.00 0.00 H new ATOM 0 HA SER A 70 7.145 -0.498 -10.173 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.600 -1.076 -12.490 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.269 -1.469 -11.419 1.00 0.00 H new ATOM 0 HG SER A 70 4.561 -0.346 -13.323 1.00 0.00 H new ATOM 1098 N ASN A 71 6.751 2.493 -11.457 1.00 0.00 N ATOM 1099 CA ASN A 71 7.447 3.668 -11.999 1.00 0.00 C ATOM 1100 C ASN A 71 8.552 4.232 -11.089 1.00 0.00 C ATOM 1101 O ASN A 71 9.420 4.962 -11.570 1.00 0.00 O ATOM 1102 CB ASN A 71 6.423 4.737 -12.389 1.00 0.00 C ATOM 1103 CG ASN A 71 5.734 4.378 -13.702 1.00 0.00 C ATOM 1104 OD1 ASN A 71 4.812 3.563 -13.751 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.189 4.946 -14.801 1.00 0.00 N ATOM 0 H ASN A 71 5.772 2.663 -11.225 1.00 0.00 H new ATOM 0 HA ASN A 71 7.982 3.334 -12.888 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.679 4.839 -11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.919 5.703 -12.486 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.777 4.712 -15.704 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.953 5.620 -14.748 1.00 0.00 H new ATOM 1112 N ASN A 72 8.577 3.895 -9.796 1.00 0.00 N ATOM 1113 CA ASN A 72 9.584 4.359 -8.836 1.00 0.00 C ATOM 1114 C ASN A 72 10.246 3.184 -8.110 1.00 0.00 C ATOM 1115 O ASN A 72 11.024 3.417 -7.187 1.00 0.00 O ATOM 1116 CB ASN A 72 8.935 5.290 -7.799 1.00 0.00 C ATOM 1117 CG ASN A 72 8.580 6.668 -8.311 1.00 0.00 C ATOM 1118 OD1 ASN A 72 7.939 6.845 -9.343 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.932 7.699 -7.567 1.00 0.00 N ATOM 0 H ASN A 72 7.881 3.277 -9.378 1.00 0.00 H new ATOM 0 HA ASN A 72 10.349 4.899 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.029 4.814 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.614 5.397 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.672 8.644 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.465 7.551 -6.710 1.00 0.00 H new ATOM 1126 N ALA A 73 9.947 1.949 -8.516 1.00 0.00 N ATOM 1127 CA ALA A 73 10.390 0.668 -8.003 1.00 0.00 C ATOM 1128 C ALA A 73 11.855 0.604 -7.621 1.00 0.00 C ATOM 1129 O ALA A 73 12.172 -0.055 -6.636 1.00 0.00 O ATOM 1130 CB ALA A 73 10.098 -0.389 -9.066 1.00 0.00 C ATOM 0 H ALA A 73 9.314 1.817 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 73 9.844 0.494 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.422 -1.366 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.028 -0.414 -9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.636 -0.143 -9.981 1.00 0.00 H new ATOM 1136 N ASP A 74 12.717 1.268 -8.387 1.00 0.00 N ATOM 1137 CA ASP A 74 14.142 1.332 -8.219 1.00 0.00 C ATOM 1138 C ASP A 74 14.427 1.750 -6.778 1.00 0.00 C ATOM 1139 O ASP A 74 14.880 0.950 -5.958 1.00 0.00 O ATOM 1140 CB ASP A 74 14.670 2.354 -9.238 1.00 0.00 C ATOM 1141 CG ASP A 74 14.766 1.879 -10.693 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.823 2.071 -11.341 1.00 0.00 O ATOM 1143 OD2 ASP A 74 13.707 1.496 -11.241 1.00 0.00 O ATOM 0 H ASP A 74 12.403 1.808 -9.193 1.00 0.00 H new ATOM 0 HA ASP A 74 14.636 0.376 -8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.025 3.232 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.661 2.675 -8.917 1.00 0.00 H new ATOM 1148 N LYS A 75 14.082 3.000 -6.462 1.00 0.00 N ATOM 1149 CA LYS A 75 14.283 3.575 -5.140 1.00 0.00 C ATOM 1150 C LYS A 75 13.239 3.065 -4.169 1.00 0.00 C ATOM 1151 O LYS A 75 13.565 2.855 -3.016 1.00 0.00 O ATOM 1152 CB LYS A 75 14.288 5.112 -5.135 1.00 0.00 C ATOM 1153 CG LYS A 75 14.898 5.723 -6.402 1.00 0.00 C ATOM 1154 CD LYS A 75 13.821 5.994 -7.467 1.00 0.00 C ATOM 1155 CE LYS A 75 13.425 7.476 -7.376 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.941 8.044 -8.650 1.00 0.00 N ATOM 0 H LYS A 75 13.652 3.643 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 75 15.275 3.252 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.265 5.471 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.845 5.463 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.406 6.654 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.651 5.048 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.202 5.762 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.952 5.357 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.648 7.589 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.286 8.052 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.693 9.045 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.688 7.968 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.101 7.520 -8.967 1.00 0.00 H new ATOM 1170 N LEU A 76 11.991 2.850 -4.592 1.00 0.00 N ATOM 1171 CA LEU A 76 10.957 2.350 -3.669 1.00 0.00 C ATOM 1172 C LEU A 76 11.422 1.076 -2.967 1.00 0.00 C ATOM 1173 O LEU A 76 11.257 0.977 -1.751 1.00 0.00 O ATOM 1174 CB LEU A 76 9.607 2.113 -4.359 1.00 0.00 C ATOM 1175 CG LEU A 76 8.788 3.390 -4.573 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.547 3.089 -5.413 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.281 3.965 -3.243 1.00 0.00 C ATOM 0 H LEU A 76 11.671 3.009 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 76 10.805 3.133 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.782 1.639 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.022 1.414 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 76 9.448 4.102 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.974 4.005 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.851 2.695 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.930 2.352 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.704 4.870 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.648 3.230 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.130 4.204 -2.603 1.00 0.00 H new ATOM 1189 N ALA A 77 11.968 0.109 -3.715 1.00 0.00 N ATOM 1190 CA ALA A 77 12.484 -1.122 -3.117 1.00 0.00 C ATOM 1191 C ALA A 77 13.598 -0.753 -2.131 1.00 0.00 C ATOM 1192 O ALA A 77 13.540 -1.140 -0.970 1.00 0.00 O ATOM 1193 CB ALA A 77 13.068 -2.031 -4.186 1.00 0.00 C ATOM 0 H ALA A 77 12.062 0.157 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 77 11.669 -1.642 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.447 -2.942 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.293 -2.287 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.883 -1.517 -4.695 1.00 0.00 H new ATOM 1199 N ALA A 78 14.591 0.009 -2.601 1.00 0.00 N ATOM 1200 CA ALA A 78 15.753 0.464 -1.848 1.00 0.00 C ATOM 1201 C ALA A 78 15.396 1.136 -0.512 1.00 0.00 C ATOM 1202 O ALA A 78 15.991 0.807 0.515 1.00 0.00 O ATOM 1203 CB ALA A 78 16.557 1.407 -2.753 1.00 0.00 C ATOM 0 H ALA A 78 14.602 0.339 -3.566 1.00 0.00 H new ATOM 0 HA ALA A 78 16.348 -0.406 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.435 1.765 -2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.872 0.871 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.935 2.255 -3.038 1.00 0.00 H new ATOM 1209 N ILE A 79 14.436 2.063 -0.524 1.00 0.00 N ATOM 1210 CA ILE A 79 13.964 2.816 0.631 1.00 0.00 C ATOM 1211 C ILE A 79 13.322 1.874 1.663 1.00 0.00 C ATOM 1212 O ILE A 79 13.519 2.065 2.863 1.00 0.00 O ATOM 1213 CB ILE A 79 12.981 3.931 0.173 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.612 5.022 -0.732 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.400 4.636 1.407 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.572 5.858 -1.514 1.00 0.00 C ATOM 0 H ILE A 79 13.946 2.318 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 79 14.812 3.298 1.117 1.00 0.00 H new ATOM 0 HB ILE A 79 12.222 3.419 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.213 5.690 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.290 4.546 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.711 5.418 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.867 3.911 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.209 5.080 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.086 6.600 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.987 5.201 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.909 6.363 -0.812 1.00 0.00 H new ATOM 1228 N ALA A 80 12.508 0.905 1.236 1.00 0.00 N ATOM 1229 CA ALA A 80 11.859 -0.017 2.165 1.00 0.00 C ATOM 1230 C ALA A 80 12.804 -1.119 2.651 1.00 0.00 C ATOM 1231 O ALA A 80 12.686 -1.559 3.799 1.00 0.00 O ATOM 1232 CB ALA A 80 10.630 -0.620 1.490 1.00 0.00 C ATOM 0 H ALA A 80 12.284 0.741 0.254 1.00 0.00 H new ATOM 0 HA ALA A 80 11.561 0.546 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.139 -1.310 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.937 0.176 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.935 -1.158 0.592 1.00 0.00 H new ATOM 1238 N ALA A 81 13.721 -1.582 1.801 1.00 0.00 N ATOM 1239 CA ALA A 81 14.678 -2.624 2.135 1.00 0.00 C ATOM 1240 C ALA A 81 15.582 -2.166 3.294 1.00 0.00 C ATOM 1241 O ALA A 81 15.814 -0.962 3.431 1.00 0.00 O ATOM 1242 CB ALA A 81 15.515 -2.947 0.890 1.00 0.00 C ATOM 0 H ALA A 81 13.817 -1.234 0.847 1.00 0.00 H new ATOM 0 HA ALA A 81 14.149 -3.521 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.237 -3.728 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.859 -3.291 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.044 -2.051 0.565 1.00 0.00 H new ATOM 1248 N PRO A 82 16.176 -3.078 4.084 1.00 0.00 N ATOM 1249 CA PRO A 82 16.060 -4.529 3.991 1.00 0.00 C ATOM 1250 C PRO A 82 14.708 -5.001 4.530 1.00 0.00 C ATOM 1251 O PRO A 82 14.362 -4.671 5.667 1.00 0.00 O ATOM 1252 CB PRO A 82 17.227 -5.076 4.817 1.00 0.00 C ATOM 1253 CG PRO A 82 17.495 -3.993 5.857 1.00 0.00 C ATOM 1254 CD PRO A 82 17.113 -2.705 5.135 1.00 0.00 C ATOM 0 HA PRO A 82 16.105 -4.884 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.970 -6.025 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.104 -5.256 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.896 -4.142 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.540 -3.984 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.658 -1.995 5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.994 -2.221 4.714 1.00 0.00 H new ATOM 1262 N ALA A 83 13.982 -5.757 3.700 1.00 0.00 N ATOM 1263 CA ALA A 83 12.669 -6.376 3.856 1.00 0.00 C ATOM 1264 C ALA A 83 12.141 -6.655 2.438 1.00 0.00 C ATOM 1265 O ALA A 83 12.744 -6.219 1.447 1.00 0.00 O ATOM 1266 CB ALA A 83 11.722 -5.493 4.679 1.00 0.00 C ATOM 0 H ALA A 83 14.358 -5.976 2.778 1.00 0.00 H new ATOM 0 HA ALA A 83 12.739 -7.308 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.755 -5.987 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.145 -5.331 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.592 -4.533 4.178 1.00 0.00 H new ATOM 1272 N GLU A 84 11.041 -7.399 2.330 1.00 0.00 N ATOM 1273 CA GLU A 84 10.421 -7.727 1.050 1.00 0.00 C ATOM 1274 C GLU A 84 9.387 -6.648 0.707 1.00 0.00 C ATOM 1275 O GLU A 84 8.708 -6.127 1.599 1.00 0.00 O ATOM 1276 CB GLU A 84 9.722 -9.100 1.089 1.00 0.00 C ATOM 1277 CG GLU A 84 10.635 -10.323 0.905 1.00 0.00 C ATOM 1278 CD GLU A 84 11.190 -10.893 2.213 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.221 -10.377 2.709 1.00 0.00 O ATOM 1280 OE2 GLU A 84 10.609 -11.876 2.738 1.00 0.00 O ATOM 0 H GLU A 84 10.553 -7.793 3.134 1.00 0.00 H new ATOM 0 HA GLU A 84 11.205 -7.769 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.206 -9.196 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.959 -9.120 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.077 -11.104 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.469 -10.047 0.259 1.00 0.00 H new ATOM 1287 N ILE A 85 9.248 -6.326 -0.580 1.00 0.00 N ATOM 1288 CA ILE A 85 8.320 -5.362 -1.144 1.00 0.00 C ATOM 1289 C ILE A 85 7.606 -6.025 -2.326 1.00 0.00 C ATOM 1290 O ILE A 85 8.236 -6.712 -3.134 1.00 0.00 O ATOM 1291 CB ILE A 85 9.014 -4.055 -1.574 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.454 -4.226 -2.108 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.933 -3.039 -0.432 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.554 -4.122 -1.035 1.00 0.00 C ATOM 0 H ILE A 85 9.823 -6.765 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 85 7.599 -5.075 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 85 8.468 -3.679 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.533 -5.197 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.637 -3.469 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.423 -2.113 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.888 -2.837 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.430 -3.443 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.530 -4.254 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.508 -3.142 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.403 -4.896 -0.283 1.00 0.00 H new ATOM 1306 N PHE A 86 6.303 -5.782 -2.460 1.00 0.00 N ATOM 1307 CA PHE A 86 5.451 -6.319 -3.521 1.00 0.00 C ATOM 1308 C PHE A 86 4.552 -5.209 -4.067 1.00 0.00 C ATOM 1309 O PHE A 86 4.474 -4.137 -3.463 1.00 0.00 O ATOM 1310 CB PHE A 86 4.607 -7.471 -2.969 1.00 0.00 C ATOM 1311 CG PHE A 86 5.435 -8.631 -2.470 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.761 -8.727 -1.106 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.852 -9.628 -3.367 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.533 -9.806 -0.647 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.618 -10.709 -2.907 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.974 -10.791 -1.549 1.00 0.00 C ATOM 0 H PHE A 86 5.793 -5.184 -1.810 1.00 0.00 H new ATOM 0 HA PHE A 86 6.071 -6.698 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.986 -7.099 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.932 -7.824 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.419 -7.973 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.583 -9.562 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.789 -9.880 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.934 -11.478 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.585 -11.610 -1.199 1.00 0.00 H new ATOM 1326 N LEU A 87 3.861 -5.463 -5.181 1.00 0.00 N ATOM 1327 CA LEU A 87 2.957 -4.537 -5.862 1.00 0.00 C ATOM 1328 C LEU A 87 1.594 -5.210 -6.059 1.00 0.00 C ATOM 1329 O LEU A 87 1.536 -6.396 -6.372 1.00 0.00 O ATOM 1330 CB LEU A 87 3.539 -4.153 -7.237 1.00 0.00 C ATOM 1331 CG LEU A 87 4.918 -3.469 -7.259 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.233 -3.001 -8.687 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.970 -2.256 -6.329 1.00 0.00 C ATOM 0 H LEU A 87 3.921 -6.364 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 87 2.841 -3.638 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.603 -5.059 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.827 -3.491 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 87 5.651 -4.199 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.209 -2.516 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.243 -3.860 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.471 -2.294 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.961 -1.804 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.223 -1.526 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.763 -2.572 -5.307 1.00 0.00 H new ATOM 1345 N LEU A 88 0.494 -4.466 -5.920 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.857 -5.015 -6.080 1.00 0.00 C ATOM 1347 C LEU A 88 -1.286 -4.940 -7.537 1.00 0.00 C ATOM 1348 O LEU A 88 -1.238 -3.859 -8.129 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.827 -4.228 -5.189 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.125 -4.933 -4.741 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -4.180 -5.133 -5.827 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.853 -6.275 -4.063 1.00 0.00 C ATOM 0 H LEU A 88 0.513 -3.471 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.864 -6.063 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.286 -3.922 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.106 -3.318 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.545 -4.225 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.048 -5.637 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.481 -4.164 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.764 -5.741 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.798 -6.731 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.334 -6.935 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.233 -6.118 -3.180 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.766 -6.053 -8.088 1.00 0.00 N ATOM 1365 CA GLU A 89 -2.235 -6.233 -9.462 1.00 0.00 C ATOM 1366 C GLU A 89 -3.220 -5.162 -9.970 1.00 0.00 C ATOM 1367 O GLU A 89 -3.326 -4.969 -11.181 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.868 -7.636 -9.510 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.449 -8.037 -10.869 1.00 0.00 C ATOM 1370 CD GLU A 89 -3.918 -9.489 -10.848 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -3.052 -10.393 -10.867 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -5.147 -9.717 -10.873 1.00 0.00 O ATOM 0 H GLU A 89 -1.843 -6.915 -7.548 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.385 -6.125 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.113 -8.369 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.661 -7.686 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.284 -7.383 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.696 -7.904 -11.646 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.918 -4.440 -9.088 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.893 -3.416 -9.477 1.00 0.00 C ATOM 1381 C ASP A 90 -4.801 -2.125 -8.647 1.00 0.00 C ATOM 1382 O ASP A 90 -5.667 -1.252 -8.757 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.301 -4.042 -9.448 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.994 -3.893 -10.801 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -7.113 -4.890 -11.554 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.442 -2.773 -11.128 1.00 0.00 O ATOM 0 H ASP A 90 -3.822 -4.550 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.661 -3.090 -10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.228 -5.098 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.900 -3.563 -8.674 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.745 -1.956 -7.843 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.557 -0.784 -6.990 1.00 0.00 C ATOM 1393 C GLY A 91 -4.540 -0.882 -5.830 1.00 0.00 C ATOM 1394 O GLY A 91 -4.446 -1.817 -5.040 1.00 0.00 O ATOM 0 H GLY A 91 -2.991 -2.638 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.533 -0.743 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.727 0.131 -7.557 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.526 0.014 -5.759 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.571 0.046 -4.729 1.00 0.00 C ATOM 1400 C ILE A 92 -7.939 -0.266 -5.356 1.00 0.00 C ATOM 1401 O ILE A 92 -8.856 -0.735 -4.688 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.521 1.423 -4.025 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.217 1.438 -2.641 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.974 2.594 -4.916 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.706 1.819 -2.574 1.00 0.00 C ATOM 0 H ILE A 92 -5.624 0.766 -6.441 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.403 -0.721 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.461 1.587 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.109 0.445 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.668 2.129 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.911 3.525 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.328 2.656 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.004 2.432 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.045 1.783 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.841 2.827 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.288 1.117 -3.171 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.071 -0.051 -6.665 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.303 -0.262 -7.420 1.00 0.00 C ATOM 1419 C ASP A 93 -9.820 -1.700 -7.352 1.00 0.00 C ATOM 1420 O ASP A 93 -11.030 -1.911 -7.455 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.103 0.245 -8.863 1.00 0.00 C ATOM 1422 CG ASP A 93 -9.668 1.654 -9.102 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -9.949 2.389 -8.129 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -9.705 2.117 -10.262 1.00 0.00 O ATOM 0 H ASP A 93 -7.301 0.284 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.097 0.321 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.038 0.245 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.580 -0.451 -9.553 1.00 0.00 H new ATOM 1429 N GLY A 94 -8.952 -2.691 -7.141 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.336 -4.096 -7.044 1.00 0.00 C ATOM 1431 C GLY A 94 -9.742 -4.488 -5.622 1.00 0.00 C ATOM 1432 O GLY A 94 -10.510 -5.436 -5.449 1.00 0.00 O ATOM 0 H GLY A 94 -7.950 -2.536 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.165 -4.292 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.504 -4.721 -7.368 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.278 -3.746 -4.612 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.537 -3.953 -3.191 1.00 0.00 C ATOM 1438 C TRP A 95 -11.044 -3.937 -2.936 1.00 0.00 C ATOM 1439 O TRP A 95 -11.588 -4.808 -2.254 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.810 -2.857 -2.391 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.652 -3.112 -0.928 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.518 -2.730 0.037 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.558 -3.796 -0.245 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.053 -3.151 1.266 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.874 -3.861 1.147 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.333 -4.366 -0.660 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.049 -4.521 2.071 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.479 -4.988 0.272 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.837 -5.078 1.630 1.00 0.00 C ATOM 0 H TRP A 95 -8.677 -2.939 -4.778 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.160 -4.923 -2.868 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.820 -2.715 -2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.352 -1.920 -2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.433 -2.180 -0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.521 -2.962 2.152 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.049 -4.324 -1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.342 -4.600 3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.538 -5.401 -0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.182 -5.574 2.331 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.737 -2.956 -3.528 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.182 -2.819 -3.383 1.00 0.00 C ATOM 1462 C LYS A 96 -13.897 -4.026 -3.978 1.00 0.00 C ATOM 1463 O LYS A 96 -14.809 -4.552 -3.350 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.694 -1.532 -4.031 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.132 -0.273 -3.365 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.823 0.967 -3.938 1.00 0.00 C ATOM 1467 CE LYS A 96 -13.262 2.221 -3.269 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.971 3.447 -3.685 1.00 0.00 N ATOM 0 H LYS A 96 -11.310 -2.241 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.400 -2.767 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.426 -1.530 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.783 -1.511 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.286 -0.321 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.057 -0.211 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.668 1.017 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.899 0.905 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.332 2.114 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.204 2.317 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.554 4.269 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.883 3.566 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.976 3.370 -3.430 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.512 -4.474 -5.180 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.135 -5.635 -5.823 1.00 0.00 C ATOM 1484 C LYS A 97 -13.952 -6.874 -4.946 1.00 0.00 C ATOM 1485 O LYS A 97 -14.887 -7.650 -4.779 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.572 -5.811 -7.240 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.160 -7.047 -7.945 1.00 0.00 C ATOM 1488 CD LYS A 97 -13.776 -7.118 -9.430 1.00 0.00 C ATOM 1489 CE LYS A 97 -14.347 -5.959 -10.256 1.00 0.00 C ATOM 1490 NZ LYS A 97 -15.819 -5.972 -10.352 1.00 0.00 N ATOM 0 H LYS A 97 -12.767 -4.046 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.209 -5.478 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.789 -4.920 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.487 -5.904 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.812 -7.948 -7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.246 -7.030 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.690 -7.118 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.130 -8.061 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.028 -5.016 -9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.925 -5.997 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.135 -5.183 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.132 -6.871 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.230 -5.871 -9.402 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.769 -7.043 -4.349 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.484 -8.169 -3.467 1.00 0.00 C ATOM 1506 C ALA A 98 -13.341 -8.101 -2.187 1.00 0.00 C ATOM 1507 O ALA A 98 -13.448 -9.077 -1.451 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.997 -8.149 -3.123 1.00 0.00 C ATOM 0 H ALA A 98 -11.985 -6.401 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.735 -9.101 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.765 -8.985 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.411 -8.235 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.752 -7.213 -2.622 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.975 -6.961 -1.907 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.833 -6.744 -0.747 1.00 0.00 C ATOM 1516 C GLY A 99 -14.036 -6.649 0.544 1.00 0.00 C ATOM 1517 O GLY A 99 -14.543 -6.977 1.618 1.00 0.00 O ATOM 0 H GLY A 99 -13.901 -6.137 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.406 -5.827 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.551 -7.560 -0.670 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.766 -6.264 0.442 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.879 -6.123 1.584 1.00 0.00 C ATOM 1523 C LEU A 100 -12.311 -4.890 2.402 1.00 0.00 C ATOM 1524 O LEU A 100 -12.983 -4.002 1.867 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.438 -6.077 1.069 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.972 -7.390 0.411 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.585 -7.183 -0.194 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.955 -8.562 1.399 1.00 0.00 C ATOM 0 H LEU A 100 -12.323 -6.039 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.937 -6.970 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.346 -5.266 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.772 -5.841 1.899 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.686 -7.648 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.250 -8.109 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.629 -6.393 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.884 -6.898 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.620 -9.464 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.274 -8.336 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.959 -8.720 1.793 1.00 0.00 H new ATOM 1540 N PRO A 101 -11.929 -4.790 3.685 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.330 -3.681 4.541 1.00 0.00 C ATOM 1542 C PRO A 101 -11.711 -2.336 4.161 1.00 0.00 C ATOM 1543 O PRO A 101 -10.699 -2.250 3.455 1.00 0.00 O ATOM 1544 CB PRO A 101 -11.955 -4.114 5.961 1.00 0.00 C ATOM 1545 CG PRO A 101 -10.785 -5.072 5.751 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.137 -5.754 4.430 1.00 0.00 C ATOM 0 HA PRO A 101 -13.398 -3.492 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.669 -3.262 6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.789 -4.604 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.834 -4.542 5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.699 -5.790 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.237 -6.029 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.699 -6.672 4.602 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.328 -1.272 4.674 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.958 0.122 4.486 1.00 0.00 C ATOM 1556 C VAL A 102 -12.185 0.894 5.794 1.00 0.00 C ATOM 1557 O VAL A 102 -12.631 0.360 6.811 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.767 0.764 3.335 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.232 0.377 1.957 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.274 0.523 3.455 1.00 0.00 C ATOM 0 H VAL A 102 -13.151 -1.372 5.269 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.903 0.168 4.216 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.622 1.839 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.836 0.854 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.197 0.705 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.281 -0.705 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.786 0.998 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.473 -0.549 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.637 0.948 4.391 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.864 2.178 5.751 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.983 3.174 6.780 1.00 0.00 C ATOM 1572 C ALA A 103 -12.740 4.290 6.073 1.00 0.00 C ATOM 1573 O ALA A 103 -12.133 5.149 5.446 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.598 3.592 7.287 1.00 0.00 C ATOM 0 H ALA A 103 -11.473 2.580 4.899 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.501 2.843 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.708 4.347 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.082 2.723 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.018 4.004 6.462 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.066 4.188 6.059 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.008 5.137 5.460 1.00 0.00 C ATOM 1582 C VAL A 104 -15.867 5.729 6.588 1.00 0.00 C ATOM 1583 O VAL A 104 -15.539 5.565 7.766 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.849 4.438 4.366 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -14.995 4.111 3.141 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.543 3.168 4.877 1.00 0.00 C ATOM 0 H VAL A 104 -14.543 3.396 6.490 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.483 5.952 4.963 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.628 5.144 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.612 3.620 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.583 5.032 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.181 3.447 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.119 2.718 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.793 2.459 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.211 3.424 5.700 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.947 6.447 6.258 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.837 7.031 7.258 1.00 0.00 C ATOM 1598 C ASN A 105 -19.288 6.689 6.971 1.00 0.00 C ATOM 1599 O ASN A 105 -19.963 6.149 7.842 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.622 8.539 7.383 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.549 9.105 8.445 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -19.398 9.946 8.155 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -18.378 8.696 9.689 1.00 0.00 N ATOM 0 H ASN A 105 -17.224 6.637 5.295 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.586 6.590 8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.585 8.747 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.813 9.023 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.957 9.079 10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.667 7.997 9.903 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.781 7.028 5.781 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.150 6.738 5.368 1.00 0.00 C ATOM 1612 C LYS A 106 -21.067 5.617 4.352 1.00 0.00 C ATOM 1613 O LYS A 106 -20.120 5.589 3.558 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.824 7.985 4.780 1.00 0.00 C ATOM 1615 CG LYS A 106 -21.977 9.051 5.867 1.00 0.00 C ATOM 1616 CD LYS A 106 -22.684 10.312 5.355 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.942 11.312 6.487 1.00 0.00 C ATOM 1618 NZ LYS A 106 -21.734 11.554 7.302 1.00 0.00 N ATOM 0 H LYS A 106 -19.235 7.516 5.071 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.762 6.438 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -21.229 8.376 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -22.801 7.724 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.541 8.636 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -20.992 9.320 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -22.075 10.784 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -23.630 10.036 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -23.289 12.255 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -23.741 10.937 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -21.930 12.298 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.466 10.678 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -20.954 11.857 6.685 1.00 0.00 H new ATOM 1632 N SER A 107 -22.010 4.685 4.396 1.00 0.00 N ATOM 1633 CA SER A 107 -22.023 3.579 3.463 1.00 0.00 C ATOM 1634 C SER A 107 -22.733 4.012 2.174 1.00 0.00 C ATOM 1635 O SER A 107 -22.974 5.204 1.922 1.00 0.00 O ATOM 1636 CB SER A 107 -22.627 2.351 4.158 1.00 0.00 C ATOM 1637 OG SER A 107 -24.016 2.474 4.387 1.00 0.00 O ATOM 0 H SER A 107 -22.775 4.678 5.071 1.00 0.00 H new ATOM 0 HA SER A 107 -21.018 3.287 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.442 1.467 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.120 2.193 5.110 1.00 0.00 H new ATOM 0 HG SER A 107 -24.348 1.665 4.829 1.00 0.00 H new ATOM 1643 N GLN A 108 -23.002 3.041 1.310 1.00 0.00 N ATOM 1644 CA GLN A 108 -23.680 3.190 0.045 1.00 0.00 C ATOM 1645 C GLN A 108 -24.305 1.840 -0.224 1.00 0.00 C ATOM 1646 O GLN A 108 -23.632 0.821 0.055 1.00 0.00 O ATOM 1647 CB GLN A 108 -22.682 3.611 -1.038 1.00 0.00 C ATOM 1648 CG GLN A 108 -23.383 3.823 -2.376 1.00 0.00 C ATOM 1649 CD GLN A 108 -22.439 4.508 -3.352 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -22.491 5.721 -3.538 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -21.497 3.796 -3.939 1.00 0.00 N ATOM 0 H GLN A 108 -22.733 2.074 1.492 1.00 0.00 H new ATOM 0 HA GLN A 108 -24.443 3.968 0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -22.180 4.530 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -21.912 2.847 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -23.708 2.865 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -24.278 4.429 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -21.450 2.788 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -20.815 4.253 -4.545 1.00 0.00 H new TER 1660 GLN A 108