USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 768 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 40 GLN : amide:sc= -2.09 X(o=-10,f=-9.7) USER MOD Set 1.2: A 41 SER OG : rot 180:sc= -0.659 USER MOD Set 1.3: A 44 SER OG : rot 121:sc= 0.547 USER MOD Set 1.4: A 48 HIS : no HD1:sc= -5.13 K(o=-10,f=-12!) USER MOD Set 1.5: A 81 MET CE :methyl -132:sc= -2.73 (180deg=-4.36!) USER MOD Set 2.1: A 45 MET CE :methyl 162:sc= -8.18! (180deg=-10.5!) USER MOD Set 2.2: A 50 HIS : no HE2:sc= -9.84! C(o=-18!,f=-20!) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= -0.739 USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 1 ILE N :NH3+ -160:sc= -0.197 (180deg=-1.01) USER MOD Single : A 5 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.9) USER MOD Single : A 6 MET CE :methyl -166:sc= -2.51 (180deg=-3.31!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.482 K(o=0.48,f=-0.057) USER MOD Single : A 16 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 19 TYR OH : rot 130:sc=-0.00605 USER MOD Single : A 24 GLN : amide:sc= -1.96 K(o=-2,f=-6.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 135:sc= 0.552 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -45:sc= 0.174 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 38 THR OG1 : rot -143:sc= 0.106 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 165:sc= -0.344 USER MOD Single : A 59 ASN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 65 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.9 K(o=-2.9,f=-5.7!) USER MOD Single : A 79 TYR OH : rot 136:sc= 1.03 USER MOD Single : A 80 THR OG1 : rot -34:sc= -3.27! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 91 ASN : amide:sc= -7.76! C(o=-7.8!,f=-10!) USER MOD Single : A 93 THR OG1 : rot -114:sc= -3.12! USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 100 SER OG : rot 180:sc= 0.239 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.246 -13.183 -3.286 1.00 0.00 N ATOM 2 CA ILE A 1 -2.131 -14.377 -4.162 1.00 0.00 C ATOM 3 C ILE A 1 -3.403 -15.217 -4.116 1.00 0.00 C ATOM 4 O ILE A 1 -3.737 -15.908 -5.079 1.00 0.00 O ATOM 5 CB ILE A 1 -0.937 -15.260 -3.752 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.323 -14.408 -3.589 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.713 -16.360 -4.780 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.785 -13.763 -4.877 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.547 -12.470 -3.577 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.203 -12.784 -3.367 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.069 -13.458 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.975 -14.010 -5.177 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.162 -15.728 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.133 -13.630 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 1 1.126 -15.032 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.134 -16.975 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.606 -16.981 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.506 -15.913 -5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 1 1.682 -13.174 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.007 -14.537 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -0.001 -13.113 -5.261 1.00 0.00 H new ATOM 22 N GLU A 2 -4.111 -15.153 -2.991 1.00 0.00 N ATOM 23 CA GLU A 2 -5.348 -15.909 -2.820 1.00 0.00 C ATOM 24 C GLU A 2 -5.071 -17.409 -2.778 1.00 0.00 C ATOM 25 O GLU A 2 -3.960 -17.854 -3.068 1.00 0.00 O ATOM 26 CB GLU A 2 -6.330 -15.589 -3.952 1.00 0.00 C ATOM 27 CG GLU A 2 -7.777 -15.499 -3.494 1.00 0.00 C ATOM 28 CD GLU A 2 -8.746 -16.071 -4.509 1.00 0.00 C ATOM 29 OE1 GLU A 2 -9.020 -17.287 -4.448 1.00 0.00 O ATOM 30 OE2 GLU A 2 -9.232 -15.303 -5.366 1.00 0.00 O ATOM 0 H GLU A 2 -3.849 -14.586 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.793 -15.615 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.044 -14.644 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.248 -16.357 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.889 -16.032 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.030 -14.456 -3.303 1.00 0.00 H new ATOM 37 N GLY A 3 -6.088 -18.183 -2.416 1.00 0.00 N ATOM 38 CA GLY A 3 -5.936 -19.624 -2.341 1.00 0.00 C ATOM 39 C GLY A 3 -6.538 -20.204 -1.076 1.00 0.00 C ATOM 40 O GLY A 3 -6.143 -19.839 0.032 1.00 0.00 O ATOM 0 H GLY A 3 -7.016 -17.838 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.410 -20.082 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.877 -19.878 -2.385 1.00 0.00 H new ATOM 44 N ARG A 4 -7.496 -21.110 -1.240 1.00 0.00 N ATOM 45 CA ARG A 4 -8.154 -21.743 -0.100 1.00 0.00 C ATOM 46 C ARG A 4 -8.865 -20.705 0.763 1.00 0.00 C ATOM 47 O ARG A 4 -8.722 -19.502 0.550 1.00 0.00 O ATOM 48 CB ARG A 4 -7.134 -22.511 0.741 1.00 0.00 C ATOM 49 CG ARG A 4 -6.844 -23.909 0.220 1.00 0.00 C ATOM 50 CD ARG A 4 -7.838 -24.923 0.762 1.00 0.00 C ATOM 51 NE ARG A 4 -9.151 -24.791 0.135 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.402 -25.106 -1.134 1.00 0.00 C ATOM 53 NH1 ARG A 4 -8.434 -25.570 -1.914 1.00 0.00 N ATOM 54 NH2 ARG A 4 -10.625 -24.955 -1.625 1.00 0.00 N ATOM 0 H ARG A 4 -7.835 -21.423 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.898 -22.441 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.203 -21.945 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.500 -22.583 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.882 -23.907 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.833 -24.202 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.456 -25.930 0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.936 -24.794 1.840 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.921 -24.437 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.491 -25.687 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.632 -25.810 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.373 -24.598 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.818 -25.196 -2.597 1.00 0.00 H new ATOM 68 N HIS A 5 -9.633 -21.181 1.738 1.00 0.00 N ATOM 69 CA HIS A 5 -10.369 -20.295 2.633 1.00 0.00 C ATOM 70 C HIS A 5 -10.252 -20.764 4.080 1.00 0.00 C ATOM 71 O HIS A 5 -9.993 -19.968 4.981 1.00 0.00 O ATOM 72 CB HIS A 5 -11.840 -20.228 2.224 1.00 0.00 C ATOM 73 CG HIS A 5 -12.500 -21.570 2.139 1.00 0.00 C ATOM 74 ND1 HIS A 5 -12.309 -22.438 1.082 1.00 0.00 N ATOM 75 CD2 HIS A 5 -13.354 -22.194 2.985 1.00 0.00 C ATOM 76 CE1 HIS A 5 -13.018 -23.535 1.284 1.00 0.00 C ATOM 77 NE2 HIS A 5 -13.658 -23.412 2.430 1.00 0.00 N ATOM 0 H HIS A 5 -9.762 -22.175 1.928 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.933 -19.299 2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.380 -19.611 2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -11.917 -19.732 1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.726 -21.806 3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.065 -24.387 0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -14.279 -24.110 2.839 1.00 0.00 H new ATOM 86 N MET A 6 -10.444 -22.065 4.293 1.00 0.00 N ATOM 87 CA MET A 6 -10.363 -22.656 5.629 1.00 0.00 C ATOM 88 C MET A 6 -11.108 -21.812 6.662 1.00 0.00 C ATOM 89 O MET A 6 -11.867 -20.909 6.310 1.00 0.00 O ATOM 90 CB MET A 6 -8.897 -22.839 6.044 1.00 0.00 C ATOM 91 CG MET A 6 -8.175 -21.542 6.383 1.00 0.00 C ATOM 92 SD MET A 6 -7.223 -20.893 4.998 1.00 0.00 S ATOM 93 CE MET A 6 -6.044 -22.219 4.748 1.00 0.00 C ATOM 0 H MET A 6 -10.658 -22.734 3.553 1.00 0.00 H new ATOM 0 HA MET A 6 -10.844 -23.633 5.590 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.856 -23.501 6.909 1.00 0.00 H new ATOM 0 HB3 MET A 6 -8.362 -23.338 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.905 -20.796 6.698 1.00 0.00 H new ATOM 0 HG3 MET A 6 -7.508 -21.712 7.228 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.237 -21.872 4.103 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.633 -22.526 5.710 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.544 -23.067 4.280 1.00 0.00 H new ATOM 103 N ALA A 7 -10.884 -22.114 7.937 1.00 0.00 N ATOM 104 CA ALA A 7 -11.533 -21.385 9.020 1.00 0.00 C ATOM 105 C ALA A 7 -11.190 -19.899 8.966 1.00 0.00 C ATOM 106 O ALA A 7 -10.274 -19.491 8.251 1.00 0.00 O ATOM 107 CB ALA A 7 -11.130 -21.974 10.366 1.00 0.00 C ATOM 0 H ALA A 7 -10.258 -22.858 8.245 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.612 -21.486 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.621 -21.421 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.431 -23.021 10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.049 -21.902 10.486 1.00 0.00 H new ATOM 113 N PRO A 8 -11.924 -19.066 9.724 1.00 0.00 N ATOM 114 CA PRO A 8 -11.693 -17.618 9.757 1.00 0.00 C ATOM 115 C PRO A 8 -10.378 -17.256 10.440 1.00 0.00 C ATOM 116 O PRO A 8 -10.118 -17.670 11.569 1.00 0.00 O ATOM 117 CB PRO A 8 -12.879 -17.085 10.566 1.00 0.00 C ATOM 118 CG PRO A 8 -13.304 -18.231 11.417 1.00 0.00 C ATOM 119 CD PRO A 8 -13.036 -19.469 10.606 1.00 0.00 C ATOM 0 HA PRO A 8 -11.620 -17.196 8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.590 -16.227 11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.687 -16.756 9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.747 -18.250 12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.360 -18.155 11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.761 -20.312 11.239 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.913 -19.772 10.034 1.00 0.00 H new ATOM 127 N THR A 9 -9.552 -16.481 9.745 1.00 0.00 N ATOM 128 CA THR A 9 -8.262 -16.062 10.283 1.00 0.00 C ATOM 129 C THR A 9 -7.904 -14.659 9.803 1.00 0.00 C ATOM 130 O THR A 9 -6.731 -14.334 9.623 1.00 0.00 O ATOM 131 CB THR A 9 -7.169 -17.050 9.873 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.453 -17.613 8.604 1.00 0.00 O ATOM 133 CG2 THR A 9 -6.994 -18.190 10.852 1.00 0.00 C ATOM 0 H THR A 9 -9.752 -16.130 8.808 1.00 0.00 H new ATOM 0 HA THR A 9 -8.337 -16.047 11.370 1.00 0.00 H new ATOM 0 HB THR A 9 -6.248 -16.468 9.850 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.742 -18.241 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.203 -18.853 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.725 -17.791 11.830 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.927 -18.748 10.931 1.00 0.00 H new ATOM 141 N GLU A 10 -8.925 -13.833 9.594 1.00 0.00 N ATOM 142 CA GLU A 10 -8.720 -12.465 9.133 1.00 0.00 C ATOM 143 C GLU A 10 -9.675 -11.506 9.842 1.00 0.00 C ATOM 144 O GLU A 10 -10.195 -11.818 10.913 1.00 0.00 O ATOM 145 CB GLU A 10 -8.914 -12.386 7.617 1.00 0.00 C ATOM 146 CG GLU A 10 -7.922 -11.463 6.927 1.00 0.00 C ATOM 147 CD GLU A 10 -6.883 -12.221 6.122 1.00 0.00 C ATOM 148 OE1 GLU A 10 -5.888 -12.681 6.721 1.00 0.00 O ATOM 149 OE2 GLU A 10 -7.065 -12.354 4.893 1.00 0.00 O ATOM 0 H GLU A 10 -9.902 -14.088 9.737 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.699 -12.169 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.822 -13.386 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.926 -12.042 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.462 -10.783 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.420 -10.850 7.676 1.00 0.00 H new ATOM 156 N ASN A 11 -9.902 -10.340 9.242 1.00 0.00 N ATOM 157 CA ASN A 11 -10.795 -9.342 9.825 1.00 0.00 C ATOM 158 C ASN A 11 -12.249 -9.805 9.769 1.00 0.00 C ATOM 159 O ASN A 11 -13.076 -9.202 9.084 1.00 0.00 O ATOM 160 CB ASN A 11 -10.642 -8.004 9.095 1.00 0.00 C ATOM 161 CG ASN A 11 -11.205 -6.844 9.891 1.00 0.00 C ATOM 162 OD1 ASN A 11 -10.470 -6.121 10.564 1.00 0.00 O ATOM 163 ND2 ASN A 11 -12.519 -6.660 9.819 1.00 0.00 N ATOM 0 H ASN A 11 -9.481 -10.063 8.355 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.519 -9.212 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.587 -7.823 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.148 -8.059 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.956 -5.895 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.091 -7.283 9.249 1.00 0.00 H new ATOM 170 N SER A 12 -12.552 -10.877 10.497 1.00 0.00 N ATOM 171 CA SER A 12 -13.903 -11.430 10.543 1.00 0.00 C ATOM 172 C SER A 12 -14.460 -11.666 9.136 1.00 0.00 C ATOM 173 O SER A 12 -14.320 -12.757 8.584 1.00 0.00 O ATOM 174 CB SER A 12 -14.831 -10.503 11.335 1.00 0.00 C ATOM 175 OG SER A 12 -14.925 -9.228 10.725 1.00 0.00 O ATOM 0 H SER A 12 -11.874 -11.383 11.067 1.00 0.00 H new ATOM 0 HA SER A 12 -13.851 -12.395 11.047 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.823 -10.950 11.404 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.458 -10.395 12.354 1.00 0.00 H new ATOM 0 HG SER A 12 -15.524 -8.657 11.250 1.00 0.00 H new ATOM 181 N THR A 13 -15.091 -10.644 8.563 1.00 0.00 N ATOM 182 CA THR A 13 -15.663 -10.754 7.226 1.00 0.00 C ATOM 183 C THR A 13 -14.567 -10.741 6.164 1.00 0.00 C ATOM 184 O THR A 13 -14.032 -9.685 5.823 1.00 0.00 O ATOM 185 CB THR A 13 -16.654 -9.613 6.973 1.00 0.00 C ATOM 186 OG1 THR A 13 -16.587 -8.647 8.008 1.00 0.00 O ATOM 187 CG2 THR A 13 -18.091 -10.082 6.876 1.00 0.00 C ATOM 0 H THR A 13 -15.218 -9.733 9.003 1.00 0.00 H new ATOM 0 HA THR A 13 -16.194 -11.704 7.162 1.00 0.00 H new ATOM 0 HB THR A 13 -16.361 -9.184 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.227 -7.927 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.742 -9.226 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.188 -10.790 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.379 -10.567 7.809 1.00 0.00 H new ATOM 195 N GLY A 14 -14.239 -11.919 5.646 1.00 0.00 N ATOM 196 CA GLY A 14 -13.210 -12.022 4.627 1.00 0.00 C ATOM 197 C GLY A 14 -12.144 -13.037 4.982 1.00 0.00 C ATOM 198 O GLY A 14 -11.354 -12.823 5.901 1.00 0.00 O ATOM 0 H GLY A 14 -14.667 -12.805 5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.669 -12.299 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.745 -11.046 4.484 1.00 0.00 H new ATOM 202 N VAL A 15 -12.118 -14.146 4.250 1.00 0.00 N ATOM 203 CA VAL A 15 -11.141 -15.199 4.491 1.00 0.00 C ATOM 204 C VAL A 15 -11.106 -16.191 3.330 1.00 0.00 C ATOM 205 O VAL A 15 -11.187 -17.403 3.531 1.00 0.00 O ATOM 206 CB VAL A 15 -11.441 -15.954 5.803 1.00 0.00 C ATOM 207 CG1 VAL A 15 -12.806 -16.626 5.737 1.00 0.00 C ATOM 208 CG2 VAL A 15 -10.346 -16.970 6.100 1.00 0.00 C ATOM 0 H VAL A 15 -12.764 -14.338 3.484 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.167 -14.718 4.578 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.461 -15.231 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.998 -17.153 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.576 -15.871 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -12.822 -17.336 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.576 -17.492 7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.287 -17.690 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.390 -16.456 6.200 1.00 0.00 H new ATOM 218 N GLN A 16 -10.984 -15.665 2.116 1.00 0.00 N ATOM 219 CA GLN A 16 -10.938 -16.501 0.920 1.00 0.00 C ATOM 220 C GLN A 16 -9.691 -16.194 0.095 1.00 0.00 C ATOM 221 O GLN A 16 -9.758 -16.069 -1.128 1.00 0.00 O ATOM 222 CB GLN A 16 -12.193 -16.285 0.073 1.00 0.00 C ATOM 223 CG GLN A 16 -12.370 -14.851 -0.399 1.00 0.00 C ATOM 224 CD GLN A 16 -12.002 -14.667 -1.858 1.00 0.00 C ATOM 225 OE1 GLN A 16 -11.236 -13.770 -2.209 1.00 0.00 O ATOM 226 NE2 GLN A 16 -12.550 -15.518 -2.718 1.00 0.00 N ATOM 0 H GLN A 16 -10.915 -14.664 1.933 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.898 -17.544 1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.152 -16.942 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.068 -16.578 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.406 -14.548 -0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.754 -14.192 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.180 -16.247 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.341 -15.443 -3.713 1.00 0.00 H new ATOM 235 N ASP A 17 -8.556 -16.073 0.775 1.00 0.00 N ATOM 236 CA ASP A 17 -7.291 -15.779 0.110 1.00 0.00 C ATOM 237 C ASP A 17 -6.118 -16.021 1.051 1.00 0.00 C ATOM 238 O ASP A 17 -6.056 -15.445 2.137 1.00 0.00 O ATOM 239 CB ASP A 17 -7.273 -14.331 -0.384 1.00 0.00 C ATOM 240 CG ASP A 17 -7.891 -13.369 0.612 1.00 0.00 C ATOM 241 OD1 ASP A 17 -7.453 -13.360 1.780 1.00 0.00 O ATOM 242 OD2 ASP A 17 -8.815 -12.623 0.220 1.00 0.00 O ATOM 0 H ASP A 17 -8.486 -16.174 1.788 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.194 -16.447 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.244 -14.031 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.812 -14.266 -1.329 1.00 0.00 H new ATOM 247 N CYS A 18 -5.190 -16.875 0.629 1.00 0.00 N ATOM 248 CA CYS A 18 -4.023 -17.195 1.442 1.00 0.00 C ATOM 249 C CYS A 18 -2.777 -16.483 0.924 1.00 0.00 C ATOM 250 O CYS A 18 -2.709 -16.087 -0.240 1.00 0.00 O ATOM 251 CB CYS A 18 -3.795 -18.711 1.480 1.00 0.00 C ATOM 252 SG CYS A 18 -3.084 -19.414 -0.045 1.00 0.00 S ATOM 0 H CYS A 18 -5.224 -17.357 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.215 -16.844 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.133 -18.944 2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.747 -19.203 1.681 1.00 0.00 H new ATOM 257 N TYR A 19 -1.796 -16.317 1.805 1.00 0.00 N ATOM 258 CA TYR A 19 -0.553 -15.652 1.458 1.00 0.00 C ATOM 259 C TYR A 19 0.573 -16.671 1.306 1.00 0.00 C ATOM 260 O TYR A 19 0.347 -17.874 1.426 1.00 0.00 O ATOM 261 CB TYR A 19 -0.186 -14.620 2.530 1.00 0.00 C ATOM 262 CG TYR A 19 0.284 -15.224 3.836 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.599 -15.644 3.998 1.00 0.00 C ATOM 264 CD2 TYR A 19 -0.587 -15.369 4.906 1.00 0.00 C ATOM 265 CE1 TYR A 19 2.029 -16.193 5.191 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.164 -15.917 6.102 1.00 0.00 C ATOM 267 CZ TYR A 19 1.144 -16.327 6.239 1.00 0.00 C ATOM 268 OH TYR A 19 1.570 -16.874 7.429 1.00 0.00 O ATOM 0 H TYR A 19 -1.843 -16.638 2.772 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.690 -15.139 0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.598 -13.970 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.054 -13.991 2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.295 -15.540 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.613 -15.048 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.054 -16.516 5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.855 -16.023 6.925 1.00 0.00 H new ATOM 0 HH TYR A 19 1.305 -16.291 8.171 1.00 0.00 H new ATOM 278 N ARG A 20 1.783 -16.188 1.051 1.00 0.00 N ATOM 279 CA ARG A 20 2.936 -17.067 0.894 1.00 0.00 C ATOM 280 C ARG A 20 4.203 -16.405 1.422 1.00 0.00 C ATOM 281 O ARG A 20 4.361 -15.187 1.338 1.00 0.00 O ATOM 282 CB ARG A 20 3.112 -17.449 -0.575 1.00 0.00 C ATOM 283 CG ARG A 20 1.871 -18.074 -1.188 1.00 0.00 C ATOM 284 CD ARG A 20 2.223 -19.072 -2.283 1.00 0.00 C ATOM 285 NE ARG A 20 3.340 -18.615 -3.107 1.00 0.00 N ATOM 286 CZ ARG A 20 3.258 -17.610 -3.975 1.00 0.00 C ATOM 287 NH1 ARG A 20 2.116 -16.952 -4.133 1.00 0.00 N ATOM 288 NH2 ARG A 20 4.321 -17.260 -4.687 1.00 0.00 N ATOM 0 H ARG A 20 1.991 -15.195 0.949 1.00 0.00 H new ATOM 0 HA ARG A 20 2.757 -17.971 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.381 -16.559 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.944 -18.148 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.295 -18.576 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.235 -17.291 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.476 -20.031 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.351 -19.238 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 20 4.235 -19.095 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.296 -17.216 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.059 -16.182 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.201 -17.761 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.258 -16.490 -5.352 1.00 0.00 H new ATOM 302 N GLY A 21 5.103 -17.215 1.975 1.00 0.00 N ATOM 303 CA GLY A 21 6.342 -16.684 2.518 1.00 0.00 C ATOM 304 C GLY A 21 6.092 -15.613 3.560 1.00 0.00 C ATOM 305 O GLY A 21 5.473 -15.874 4.591 1.00 0.00 O ATOM 0 H GLY A 21 4.997 -18.226 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.920 -17.494 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.944 -16.270 1.709 1.00 0.00 H new ATOM 309 N ASP A 22 6.560 -14.400 3.286 1.00 0.00 N ATOM 310 CA ASP A 22 6.365 -13.287 4.207 1.00 0.00 C ATOM 311 C ASP A 22 5.391 -12.277 3.625 1.00 0.00 C ATOM 312 O ASP A 22 5.796 -11.321 2.964 1.00 0.00 O ATOM 313 CB ASP A 22 7.690 -12.585 4.523 1.00 0.00 C ATOM 314 CG ASP A 22 8.631 -12.546 3.334 1.00 0.00 C ATOM 315 OD1 ASP A 22 9.369 -13.533 3.128 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.630 -11.530 2.608 1.00 0.00 O ATOM 0 H ASP A 22 7.075 -14.163 2.438 1.00 0.00 H new ATOM 0 HA ASP A 22 5.957 -13.698 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.487 -11.566 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.179 -13.097 5.351 1.00 0.00 H new ATOM 321 N GLY A 23 4.102 -12.479 3.884 1.00 0.00 N ATOM 322 CA GLY A 23 3.102 -11.556 3.384 1.00 0.00 C ATOM 323 C GLY A 23 3.453 -10.119 3.720 1.00 0.00 C ATOM 324 O GLY A 23 3.030 -9.186 3.038 1.00 0.00 O ATOM 0 H GLY A 23 3.735 -13.260 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.012 -11.666 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.131 -11.804 3.812 1.00 0.00 H new ATOM 328 N GLN A 24 4.240 -9.951 4.780 1.00 0.00 N ATOM 329 CA GLN A 24 4.669 -8.636 5.229 1.00 0.00 C ATOM 330 C GLN A 24 5.925 -8.187 4.485 1.00 0.00 C ATOM 331 O GLN A 24 6.376 -8.850 3.552 1.00 0.00 O ATOM 332 CB GLN A 24 4.947 -8.669 6.732 1.00 0.00 C ATOM 333 CG GLN A 24 6.017 -9.674 7.128 1.00 0.00 C ATOM 334 CD GLN A 24 5.618 -10.512 8.328 1.00 0.00 C ATOM 335 OE1 GLN A 24 5.585 -10.023 9.457 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.312 -11.781 8.087 1.00 0.00 N ATOM 0 H GLN A 24 4.595 -10.721 5.347 1.00 0.00 H new ATOM 0 HA GLN A 24 3.871 -7.925 5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.254 -7.675 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.023 -8.907 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.223 -10.331 6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.943 -9.144 7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.353 -12.144 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.036 -12.394 8.854 1.00 0.00 H new ATOM 345 N SER A 25 6.488 -7.060 4.914 1.00 0.00 N ATOM 346 CA SER A 25 7.697 -6.521 4.301 1.00 0.00 C ATOM 347 C SER A 25 7.461 -6.156 2.837 1.00 0.00 C ATOM 348 O SER A 25 7.259 -4.987 2.506 1.00 0.00 O ATOM 349 CB SER A 25 8.843 -7.529 4.411 1.00 0.00 C ATOM 350 OG SER A 25 9.587 -7.329 5.600 1.00 0.00 O ATOM 0 H SER A 25 6.124 -6.502 5.686 1.00 0.00 H new ATOM 0 HA SER A 25 7.967 -5.612 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.442 -8.543 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.500 -7.433 3.547 1.00 0.00 H new ATOM 0 HG SER A 25 10.312 -7.987 5.647 1.00 0.00 H new ATOM 356 N TYR A 26 7.491 -7.158 1.967 1.00 0.00 N ATOM 357 CA TYR A 26 7.285 -6.937 0.540 1.00 0.00 C ATOM 358 C TYR A 26 6.152 -7.809 0.008 1.00 0.00 C ATOM 359 O TYR A 26 6.256 -9.035 -0.022 1.00 0.00 O ATOM 360 CB TYR A 26 8.576 -7.226 -0.233 1.00 0.00 C ATOM 361 CG TYR A 26 9.034 -6.072 -1.096 1.00 0.00 C ATOM 362 CD1 TYR A 26 9.052 -4.773 -0.603 1.00 0.00 C ATOM 363 CD2 TYR A 26 9.449 -6.283 -2.405 1.00 0.00 C ATOM 364 CE1 TYR A 26 9.470 -3.717 -1.389 1.00 0.00 C ATOM 365 CE2 TYR A 26 9.869 -5.230 -3.198 1.00 0.00 C ATOM 366 CZ TYR A 26 9.876 -3.950 -2.686 1.00 0.00 C ATOM 367 OH TYR A 26 10.293 -2.901 -3.471 1.00 0.00 O ATOM 0 H TYR A 26 7.656 -8.131 2.224 1.00 0.00 H new ATOM 0 HA TYR A 26 7.009 -5.892 0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.366 -7.475 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.424 -8.103 -0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.734 -4.586 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.444 -7.284 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.479 -2.714 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.190 -5.410 -4.213 1.00 0.00 H new ATOM 0 HH TYR A 26 10.546 -3.236 -4.357 1.00 0.00 H new ATOM 377 N ARG A 27 5.069 -7.162 -0.416 1.00 0.00 N ATOM 378 CA ARG A 27 3.910 -7.868 -0.952 1.00 0.00 C ATOM 379 C ARG A 27 2.777 -6.890 -1.249 1.00 0.00 C ATOM 380 O ARG A 27 1.779 -6.842 -0.531 1.00 0.00 O ATOM 381 CB ARG A 27 3.432 -8.942 0.031 1.00 0.00 C ATOM 382 CG ARG A 27 3.848 -10.350 -0.359 1.00 0.00 C ATOM 383 CD ARG A 27 2.722 -11.089 -1.064 1.00 0.00 C ATOM 384 NE ARG A 27 3.183 -12.328 -1.685 1.00 0.00 N ATOM 385 CZ ARG A 27 3.943 -12.373 -2.777 1.00 0.00 C ATOM 386 NH1 ARG A 27 4.330 -11.250 -3.371 1.00 0.00 N ATOM 387 NH2 ARG A 27 4.319 -13.541 -3.278 1.00 0.00 N ATOM 0 H ARG A 27 4.971 -6.147 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 27 4.207 -8.352 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.826 -8.717 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.345 -8.900 0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.720 -10.305 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.145 -10.903 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.933 -11.315 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.286 -10.443 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 27 2.906 -13.211 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.045 -10.347 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.912 -11.290 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.026 -14.408 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.901 -13.573 -4.115 1.00 0.00 H new ATOM 401 N GLY A 28 2.944 -6.104 -2.308 1.00 0.00 N ATOM 402 CA GLY A 28 1.930 -5.133 -2.676 1.00 0.00 C ATOM 403 C GLY A 28 1.559 -5.200 -4.144 1.00 0.00 C ATOM 404 O GLY A 28 1.946 -4.333 -4.926 1.00 0.00 O ATOM 0 H GLY A 28 3.762 -6.122 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.038 -5.299 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.291 -4.131 -2.442 1.00 0.00 H new ATOM 408 N THR A 29 0.805 -6.228 -4.518 1.00 0.00 N ATOM 409 CA THR A 29 0.376 -6.400 -5.902 1.00 0.00 C ATOM 410 C THR A 29 -1.100 -6.789 -5.979 1.00 0.00 C ATOM 411 O THR A 29 -1.591 -7.183 -7.039 1.00 0.00 O ATOM 412 CB THR A 29 1.228 -7.467 -6.592 1.00 0.00 C ATOM 413 OG1 THR A 29 1.010 -8.739 -6.008 1.00 0.00 O ATOM 414 CG2 THR A 29 2.712 -7.181 -6.528 1.00 0.00 C ATOM 0 H THR A 29 0.478 -6.955 -3.882 1.00 0.00 H new ATOM 0 HA THR A 29 0.507 -5.446 -6.413 1.00 0.00 H new ATOM 0 HB THR A 29 0.916 -7.454 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.563 -9.407 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.258 -7.976 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.920 -6.229 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.028 -7.132 -5.486 1.00 0.00 H new ATOM 422 N LEU A 30 -1.805 -6.674 -4.856 1.00 0.00 N ATOM 423 CA LEU A 30 -3.224 -7.014 -4.805 1.00 0.00 C ATOM 424 C LEU A 30 -4.087 -5.795 -5.113 1.00 0.00 C ATOM 425 O LEU A 30 -5.009 -5.863 -5.926 1.00 0.00 O ATOM 426 CB LEU A 30 -3.604 -7.584 -3.429 1.00 0.00 C ATOM 427 CG LEU A 30 -2.431 -7.951 -2.516 1.00 0.00 C ATOM 428 CD1 LEU A 30 -2.938 -8.484 -1.183 1.00 0.00 C ATOM 429 CD2 LEU A 30 -1.525 -8.969 -3.193 1.00 0.00 C ATOM 0 H LEU A 30 -1.417 -6.348 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.407 -7.776 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.227 -6.854 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.215 -8.474 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.849 -7.050 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.090 -8.740 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.543 -7.721 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.545 -9.373 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.697 -9.218 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.094 -9.871 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.134 -8.548 -4.119 1.00 0.00 H new ATOM 441 N SER A 31 -3.787 -4.685 -4.449 1.00 0.00 N ATOM 442 CA SER A 31 -4.539 -3.448 -4.636 1.00 0.00 C ATOM 443 C SER A 31 -5.976 -3.603 -4.147 1.00 0.00 C ATOM 444 O SER A 31 -6.847 -2.799 -4.481 1.00 0.00 O ATOM 445 CB SER A 31 -4.529 -3.034 -6.110 1.00 0.00 C ATOM 446 OG SER A 31 -4.682 -1.633 -6.249 1.00 0.00 O ATOM 0 H SER A 31 -3.026 -4.615 -3.774 1.00 0.00 H new ATOM 0 HA SER A 31 -4.057 -2.669 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.593 -3.348 -6.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.333 -3.545 -6.639 1.00 0.00 H new ATOM 0 HG SER A 31 -4.038 -1.297 -6.907 1.00 0.00 H new ATOM 452 N THR A 32 -6.215 -4.638 -3.346 1.00 0.00 N ATOM 453 CA THR A 32 -7.539 -4.899 -2.799 1.00 0.00 C ATOM 454 C THR A 32 -7.475 -4.947 -1.272 1.00 0.00 C ATOM 455 O THR A 32 -6.627 -4.296 -0.667 1.00 0.00 O ATOM 456 CB THR A 32 -8.091 -6.213 -3.360 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.515 -6.501 -4.619 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.596 -6.203 -3.533 1.00 0.00 C ATOM 0 H THR A 32 -5.504 -5.311 -3.062 1.00 0.00 H new ATOM 0 HA THR A 32 -8.211 -4.092 -3.091 1.00 0.00 H new ATOM 0 HB THR A 32 -7.831 -6.974 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.879 -7.345 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.923 -7.163 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.072 -6.032 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.878 -5.407 -4.222 1.00 0.00 H new ATOM 466 N THR A 33 -8.362 -5.717 -0.649 1.00 0.00 N ATOM 467 CA THR A 33 -8.378 -5.834 0.803 1.00 0.00 C ATOM 468 C THR A 33 -8.892 -7.202 1.238 1.00 0.00 C ATOM 469 O THR A 33 -8.111 -8.123 1.471 1.00 0.00 O ATOM 470 CB THR A 33 -9.243 -4.739 1.427 1.00 0.00 C ATOM 471 OG1 THR A 33 -10.533 -4.721 0.842 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.655 -3.355 1.288 1.00 0.00 C ATOM 0 H THR A 33 -9.076 -6.267 -1.126 1.00 0.00 H new ATOM 0 HA THR A 33 -7.352 -5.718 1.152 1.00 0.00 H new ATOM 0 HB THR A 33 -9.295 -4.986 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.452 -4.793 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.321 -2.628 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.682 -3.322 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.536 -3.115 0.232 1.00 0.00 H new ATOM 480 N ILE A 34 -10.211 -7.325 1.361 1.00 0.00 N ATOM 481 CA ILE A 34 -10.814 -8.576 1.789 1.00 0.00 C ATOM 482 C ILE A 34 -12.144 -8.834 1.078 1.00 0.00 C ATOM 483 O ILE A 34 -12.445 -9.967 0.704 1.00 0.00 O ATOM 484 CB ILE A 34 -11.015 -8.580 3.326 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.501 -9.889 3.924 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.474 -8.353 3.706 1.00 0.00 C ATOM 487 CD1 ILE A 34 -8.992 -9.966 3.992 1.00 0.00 C ATOM 0 H ILE A 34 -10.876 -6.576 1.171 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.132 -9.382 1.518 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.438 -7.752 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.909 -10.006 4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.874 -10.723 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.573 -8.363 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.805 -7.389 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.089 -9.145 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.696 -10.921 4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.578 -9.880 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.614 -9.153 4.611 1.00 0.00 H new ATOM 499 N THR A 35 -12.941 -7.783 0.903 1.00 0.00 N ATOM 500 CA THR A 35 -14.237 -7.917 0.247 1.00 0.00 C ATOM 501 C THR A 35 -14.369 -6.973 -0.947 1.00 0.00 C ATOM 502 O THR A 35 -15.400 -6.324 -1.126 1.00 0.00 O ATOM 503 CB THR A 35 -15.365 -7.653 1.246 1.00 0.00 C ATOM 504 OG1 THR A 35 -15.216 -8.465 2.395 1.00 0.00 O ATOM 505 CG2 THR A 35 -16.743 -7.913 0.676 1.00 0.00 C ATOM 0 H THR A 35 -12.714 -6.835 1.204 1.00 0.00 H new ATOM 0 HA THR A 35 -14.312 -8.939 -0.125 1.00 0.00 H new ATOM 0 HB THR A 35 -15.287 -6.595 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.946 -8.281 3.023 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.496 -7.706 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.909 -7.265 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.818 -8.955 0.365 1.00 0.00 H new ATOM 513 N GLY A 36 -13.327 -6.913 -1.772 1.00 0.00 N ATOM 514 CA GLY A 36 -13.365 -6.058 -2.945 1.00 0.00 C ATOM 515 C GLY A 36 -12.785 -4.678 -2.700 1.00 0.00 C ATOM 516 O GLY A 36 -12.257 -4.052 -3.621 1.00 0.00 O ATOM 0 H GLY A 36 -12.461 -7.438 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.814 -6.538 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.398 -5.957 -3.279 1.00 0.00 H new ATOM 520 N ARG A 37 -12.884 -4.196 -1.466 1.00 0.00 N ATOM 521 CA ARG A 37 -12.363 -2.875 -1.126 1.00 0.00 C ATOM 522 C ARG A 37 -10.871 -2.791 -1.431 1.00 0.00 C ATOM 523 O ARG A 37 -10.172 -3.805 -1.434 1.00 0.00 O ATOM 524 CB ARG A 37 -12.611 -2.543 0.352 1.00 0.00 C ATOM 525 CG ARG A 37 -13.902 -3.119 0.917 1.00 0.00 C ATOM 526 CD ARG A 37 -15.097 -2.793 0.037 1.00 0.00 C ATOM 527 NE ARG A 37 -16.292 -3.526 0.447 1.00 0.00 N ATOM 528 CZ ARG A 37 -17.458 -3.462 -0.191 1.00 0.00 C ATOM 529 NH1 ARG A 37 -17.591 -2.702 -1.269 1.00 0.00 N ATOM 530 NH2 ARG A 37 -18.495 -4.162 0.251 1.00 0.00 N ATOM 0 H ARG A 37 -13.317 -4.695 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.893 -2.145 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.773 -2.915 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.628 -1.460 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.806 -4.200 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.069 -2.723 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.296 -1.722 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.861 -3.034 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.229 -4.123 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.797 -2.162 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.487 -2.657 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.398 -4.749 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.389 -4.113 -0.238 1.00 0.00 H new ATOM 544 N THR A 38 -10.387 -1.581 -1.691 1.00 0.00 N ATOM 545 CA THR A 38 -8.976 -1.380 -2.002 1.00 0.00 C ATOM 546 C THR A 38 -8.192 -0.966 -0.770 1.00 0.00 C ATOM 547 O THR A 38 -8.728 -0.891 0.329 1.00 0.00 O ATOM 548 CB THR A 38 -8.800 -0.310 -3.078 1.00 0.00 C ATOM 549 OG1 THR A 38 -8.923 0.998 -2.524 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.798 -0.425 -4.209 1.00 0.00 C ATOM 0 H THR A 38 -10.947 -0.729 -1.693 1.00 0.00 H new ATOM 0 HA THR A 38 -8.593 -2.333 -2.368 1.00 0.00 H new ATOM 0 HB THR A 38 -7.800 -0.474 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.382 1.582 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.616 0.365 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.690 -1.396 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.809 -0.328 -3.813 1.00 0.00 H new ATOM 558 N CYS A 39 -6.915 -0.688 -0.981 1.00 0.00 N ATOM 559 CA CYS A 39 -6.032 -0.261 0.093 1.00 0.00 C ATOM 560 C CYS A 39 -6.025 1.264 0.219 1.00 0.00 C ATOM 561 O CYS A 39 -5.557 1.810 1.218 1.00 0.00 O ATOM 562 CB CYS A 39 -4.617 -0.801 -0.164 1.00 0.00 C ATOM 563 SG CYS A 39 -3.261 0.415 -0.006 1.00 0.00 S ATOM 0 H CYS A 39 -6.464 -0.751 -1.894 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.397 -0.664 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.429 -1.619 0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.586 -1.223 -1.169 1.00 0.00 H new ATOM 568 N GLN A 40 -6.539 1.951 -0.802 1.00 0.00 N ATOM 569 CA GLN A 40 -6.576 3.412 -0.798 1.00 0.00 C ATOM 570 C GLN A 40 -5.170 3.973 -0.952 1.00 0.00 C ATOM 571 O GLN A 40 -4.354 3.889 -0.035 1.00 0.00 O ATOM 572 CB GLN A 40 -7.217 3.934 0.491 1.00 0.00 C ATOM 573 CG GLN A 40 -8.483 4.740 0.253 1.00 0.00 C ATOM 574 CD GLN A 40 -8.240 6.237 0.302 1.00 0.00 C ATOM 575 OE1 GLN A 40 -8.624 6.970 -0.609 1.00 0.00 O ATOM 576 NE2 GLN A 40 -7.598 6.698 1.369 1.00 0.00 N ATOM 0 H GLN A 40 -6.934 1.521 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.182 3.743 -1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.450 3.090 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.495 4.554 1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.901 4.475 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.227 4.472 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.297 6.054 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.405 7.696 1.457 1.00 0.00 H new ATOM 585 N SER A 41 -4.892 4.539 -2.122 1.00 0.00 N ATOM 586 CA SER A 41 -3.579 5.107 -2.402 1.00 0.00 C ATOM 587 C SER A 41 -3.108 5.996 -1.258 1.00 0.00 C ATOM 588 O SER A 41 -3.914 6.491 -0.470 1.00 0.00 O ATOM 589 CB SER A 41 -3.605 5.905 -3.709 1.00 0.00 C ATOM 590 OG SER A 41 -4.851 5.765 -4.372 1.00 0.00 O ATOM 0 H SER A 41 -5.558 4.616 -2.891 1.00 0.00 H new ATOM 0 HA SER A 41 -2.876 4.281 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.419 6.958 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.802 5.563 -4.362 1.00 0.00 H new ATOM 0 HG SER A 41 -4.840 6.286 -5.202 1.00 0.00 H new ATOM 596 N TRP A 42 -1.800 6.194 -1.178 1.00 0.00 N ATOM 597 CA TRP A 42 -1.217 7.025 -0.133 1.00 0.00 C ATOM 598 C TRP A 42 -1.132 8.482 -0.582 1.00 0.00 C ATOM 599 O TRP A 42 -0.416 9.285 0.017 1.00 0.00 O ATOM 600 CB TRP A 42 0.173 6.508 0.244 1.00 0.00 C ATOM 601 CG TRP A 42 0.315 5.020 0.107 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.647 4.332 -1.024 1.00 0.00 C ATOM 603 CD2 TRP A 42 0.126 4.038 1.132 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.674 2.983 -0.767 1.00 0.00 N ATOM 605 CE2 TRP A 42 0.360 2.776 0.550 1.00 0.00 C ATOM 606 CE3 TRP A 42 -0.217 4.100 2.485 1.00 0.00 C ATOM 607 CZ2 TRP A 42 0.260 1.591 1.276 1.00 0.00 C ATOM 608 CZ3 TRP A 42 -0.315 2.924 3.203 1.00 0.00 C ATOM 609 CH2 TRP A 42 -0.076 1.684 2.598 1.00 0.00 C ATOM 0 H TRP A 42 -1.122 5.791 -1.824 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.863 6.972 0.743 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.917 6.996 -0.386 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.391 6.793 1.273 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.858 4.783 -1.982 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.892 2.254 -1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.402 5.051 2.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.441 0.633 0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -0.581 2.962 4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.159 0.783 3.188 1.00 0.00 H new ATOM 620 N SER A 43 -1.871 8.818 -1.636 1.00 0.00 N ATOM 621 CA SER A 43 -1.887 10.177 -2.161 1.00 0.00 C ATOM 622 C SER A 43 -3.301 10.587 -2.579 1.00 0.00 C ATOM 623 O SER A 43 -3.491 11.644 -3.182 1.00 0.00 O ATOM 624 CB SER A 43 -0.936 10.295 -3.353 1.00 0.00 C ATOM 625 OG SER A 43 -0.448 11.619 -3.487 1.00 0.00 O ATOM 0 H SER A 43 -2.468 8.164 -2.143 1.00 0.00 H new ATOM 0 HA SER A 43 -1.554 10.849 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.100 9.607 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.454 10.001 -4.266 1.00 0.00 H new ATOM 0 HG SER A 43 0.159 11.668 -4.255 1.00 0.00 H new ATOM 631 N SER A 44 -4.290 9.753 -2.255 1.00 0.00 N ATOM 632 CA SER A 44 -5.677 10.046 -2.603 1.00 0.00 C ATOM 633 C SER A 44 -6.368 10.803 -1.474 1.00 0.00 C ATOM 634 O SER A 44 -7.114 10.220 -0.688 1.00 0.00 O ATOM 635 CB SER A 44 -6.434 8.751 -2.903 1.00 0.00 C ATOM 636 OG SER A 44 -6.127 7.747 -1.951 1.00 0.00 O ATOM 0 H SER A 44 -4.156 8.874 -1.755 1.00 0.00 H new ATOM 0 HA SER A 44 -5.679 10.673 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.507 8.944 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.177 8.399 -3.902 1.00 0.00 H new ATOM 0 HG SER A 44 -6.949 7.461 -1.500 1.00 0.00 H new ATOM 642 N MET A 45 -6.111 12.105 -1.397 1.00 0.00 N ATOM 643 CA MET A 45 -6.701 12.942 -0.359 1.00 0.00 C ATOM 644 C MET A 45 -8.035 13.522 -0.817 1.00 0.00 C ATOM 645 O MET A 45 -8.085 14.596 -1.416 1.00 0.00 O ATOM 646 CB MET A 45 -5.745 14.075 0.020 1.00 0.00 C ATOM 647 CG MET A 45 -4.301 13.625 0.179 1.00 0.00 C ATOM 648 SD MET A 45 -3.322 14.770 1.171 1.00 0.00 S ATOM 649 CE MET A 45 -2.465 13.629 2.255 1.00 0.00 C ATOM 0 H MET A 45 -5.498 12.603 -2.042 1.00 0.00 H new ATOM 0 HA MET A 45 -6.878 12.316 0.516 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.793 14.851 -0.744 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.081 14.526 0.954 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.281 12.639 0.643 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.846 13.523 -0.806 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.603 14.127 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.141 13.300 3.044 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.129 12.765 1.682 1.00 0.00 H new ATOM 659 N THR A 46 -9.117 12.809 -0.521 1.00 0.00 N ATOM 660 CA THR A 46 -10.453 13.258 -0.896 1.00 0.00 C ATOM 661 C THR A 46 -11.504 12.752 0.096 1.00 0.00 C ATOM 662 O THR A 46 -12.136 13.547 0.789 1.00 0.00 O ATOM 663 CB THR A 46 -10.798 12.810 -2.320 1.00 0.00 C ATOM 664 OG1 THR A 46 -9.742 12.053 -2.886 1.00 0.00 O ATOM 665 CG2 THR A 46 -11.079 13.968 -3.255 1.00 0.00 C ATOM 0 H THR A 46 -9.095 11.919 -0.023 1.00 0.00 H new ATOM 0 HA THR A 46 -10.458 14.348 -0.867 1.00 0.00 H new ATOM 0 HB THR A 46 -11.701 12.208 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.987 11.778 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.317 13.585 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.923 14.544 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.200 14.609 -3.315 1.00 0.00 H new ATOM 673 N PRO A 47 -11.709 11.422 0.184 1.00 0.00 N ATOM 674 CA PRO A 47 -12.688 10.843 1.103 1.00 0.00 C ATOM 675 C PRO A 47 -12.146 10.708 2.522 1.00 0.00 C ATOM 676 O PRO A 47 -12.838 11.011 3.494 1.00 0.00 O ATOM 677 CB PRO A 47 -12.948 9.468 0.497 1.00 0.00 C ATOM 678 CG PRO A 47 -11.649 9.091 -0.128 1.00 0.00 C ATOM 679 CD PRO A 47 -11.009 10.376 -0.594 1.00 0.00 C ATOM 0 HA PRO A 47 -13.579 11.463 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.247 8.748 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.749 9.503 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.009 8.576 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.804 8.409 -0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.937 10.383 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.138 10.521 -1.666 1.00 0.00 H new ATOM 687 N HIS A 48 -10.902 10.252 2.633 1.00 0.00 N ATOM 688 CA HIS A 48 -10.264 10.076 3.932 1.00 0.00 C ATOM 689 C HIS A 48 -8.745 10.023 3.789 1.00 0.00 C ATOM 690 O HIS A 48 -8.222 9.430 2.846 1.00 0.00 O ATOM 691 CB HIS A 48 -10.769 8.796 4.603 1.00 0.00 C ATOM 692 CG HIS A 48 -10.542 7.562 3.787 1.00 0.00 C ATOM 693 ND1 HIS A 48 -9.514 6.673 4.033 1.00 0.00 N ATOM 694 CD2 HIS A 48 -11.218 7.064 2.723 1.00 0.00 C ATOM 695 CE1 HIS A 48 -9.568 5.686 3.156 1.00 0.00 C ATOM 696 NE2 HIS A 48 -10.592 5.900 2.351 1.00 0.00 N ATOM 0 H HIS A 48 -10.316 9.998 1.838 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.524 10.932 4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.273 8.681 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.835 8.898 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.087 7.501 2.255 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.890 4.847 3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.873 5.298 1.577 1.00 0.00 H new ATOM 705 N TRP A 49 -8.044 10.645 4.732 1.00 0.00 N ATOM 706 CA TRP A 49 -6.585 10.666 4.710 1.00 0.00 C ATOM 707 C TRP A 49 -6.022 9.249 4.749 1.00 0.00 C ATOM 708 O TRP A 49 -6.735 8.296 5.067 1.00 0.00 O ATOM 709 CB TRP A 49 -6.046 11.475 5.891 1.00 0.00 C ATOM 710 CG TRP A 49 -5.828 12.923 5.569 1.00 0.00 C ATOM 711 CD1 TRP A 49 -6.787 13.856 5.299 1.00 0.00 C ATOM 712 CD2 TRP A 49 -4.569 13.603 5.484 1.00 0.00 C ATOM 713 NE1 TRP A 49 -6.204 15.073 5.051 1.00 0.00 N ATOM 714 CE2 TRP A 49 -4.845 14.944 5.158 1.00 0.00 C ATOM 715 CE3 TRP A 49 -3.239 13.210 5.652 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -3.841 15.892 4.998 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.240 14.154 5.490 1.00 0.00 C ATOM 718 CH2 TRP A 49 -2.547 15.481 5.168 1.00 0.00 C ATOM 0 H TRP A 49 -8.462 11.140 5.520 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.267 11.140 3.781 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.744 11.397 6.725 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.104 11.038 6.222 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.850 13.664 5.283 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.702 15.934 4.824 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.995 12.188 5.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.074 16.917 4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.208 13.862 5.614 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -1.746 16.196 5.051 1.00 0.00 H new ATOM 729 N HIS A 50 -4.740 9.116 4.423 1.00 0.00 N ATOM 730 CA HIS A 50 -4.085 7.811 4.422 1.00 0.00 C ATOM 731 C HIS A 50 -2.960 7.763 5.452 1.00 0.00 C ATOM 732 O HIS A 50 -3.067 7.081 6.469 1.00 0.00 O ATOM 733 CB HIS A 50 -3.534 7.482 3.029 1.00 0.00 C ATOM 734 CG HIS A 50 -3.340 8.679 2.149 1.00 0.00 C ATOM 735 ND1 HIS A 50 -4.319 9.161 1.309 1.00 0.00 N ATOM 736 CD2 HIS A 50 -2.270 9.491 1.981 1.00 0.00 C ATOM 737 CE1 HIS A 50 -3.861 10.217 0.662 1.00 0.00 C ATOM 738 NE2 HIS A 50 -2.622 10.439 1.051 1.00 0.00 N ATOM 0 H HIS A 50 -4.135 9.893 4.157 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.832 7.064 4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.579 6.968 3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.215 6.788 2.535 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -5.253 8.764 1.203 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.318 9.409 2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.409 10.800 -0.063 1.00 0.00 H new ATOM 747 N ARG A 51 -1.883 8.493 5.181 1.00 0.00 N ATOM 748 CA ARG A 51 -0.739 8.530 6.084 1.00 0.00 C ATOM 749 C ARG A 51 0.320 9.508 5.585 1.00 0.00 C ATOM 750 O ARG A 51 0.055 10.321 4.701 1.00 0.00 O ATOM 751 CB ARG A 51 -0.138 7.130 6.233 1.00 0.00 C ATOM 752 CG ARG A 51 0.537 6.616 4.969 1.00 0.00 C ATOM 753 CD ARG A 51 1.171 5.252 5.194 1.00 0.00 C ATOM 754 NE ARG A 51 0.277 4.345 5.911 1.00 0.00 N ATOM 755 CZ ARG A 51 0.688 3.261 6.566 1.00 0.00 C ATOM 756 NH1 ARG A 51 1.976 2.943 6.596 1.00 0.00 N ATOM 757 NH2 ARG A 51 -0.192 2.492 7.193 1.00 0.00 N ATOM 0 H ARG A 51 -1.779 9.066 4.344 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.086 8.873 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.590 7.141 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.926 6.435 6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.196 6.550 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.300 7.325 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.438 4.813 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.096 5.371 5.758 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.721 4.555 5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.658 3.530 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.284 2.111 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.183 2.731 7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.123 1.662 7.695 1.00 0.00 H new ATOM 771 N ARG A 52 1.519 9.424 6.159 1.00 0.00 N ATOM 772 CA ARG A 52 2.619 10.300 5.769 1.00 0.00 C ATOM 773 C ARG A 52 2.860 10.228 4.265 1.00 0.00 C ATOM 774 O ARG A 52 3.642 9.409 3.788 1.00 0.00 O ATOM 775 CB ARG A 52 3.894 9.919 6.521 1.00 0.00 C ATOM 776 CG ARG A 52 3.814 10.166 8.019 1.00 0.00 C ATOM 777 CD ARG A 52 5.194 10.164 8.658 1.00 0.00 C ATOM 778 NE ARG A 52 5.772 8.823 8.710 1.00 0.00 N ATOM 779 CZ ARG A 52 7.018 8.567 9.100 1.00 0.00 C ATOM 780 NH1 ARG A 52 7.821 9.557 9.473 1.00 0.00 N ATOM 781 NH2 ARG A 52 7.464 7.319 9.118 1.00 0.00 N ATOM 0 H ARG A 52 1.752 8.758 6.895 1.00 0.00 H new ATOM 0 HA ARG A 52 2.347 11.323 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.108 8.865 6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.730 10.486 6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.327 11.123 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.196 9.398 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.855 10.822 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.126 10.569 9.668 1.00 0.00 H new ATOM 0 HE ARG A 52 5.186 8.037 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.483 10.519 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.775 9.355 9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.852 6.555 8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.419 7.123 9.417 1.00 0.00 H new ATOM 795 N ILE A 53 2.168 11.087 3.524 1.00 0.00 N ATOM 796 CA ILE A 53 2.289 11.123 2.072 1.00 0.00 C ATOM 797 C ILE A 53 3.733 11.252 1.620 1.00 0.00 C ATOM 798 O ILE A 53 4.608 11.618 2.400 1.00 0.00 O ATOM 799 CB ILE A 53 1.481 12.287 1.469 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.898 13.614 2.101 1.00 0.00 C ATOM 801 CG2 ILE A 53 -0.002 12.036 1.654 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.686 14.809 1.199 1.00 0.00 C ATOM 0 H ILE A 53 1.515 11.770 3.908 1.00 0.00 H new ATOM 0 HA ILE A 53 1.890 10.174 1.715 1.00 0.00 H new ATOM 0 HB ILE A 53 1.689 12.348 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.334 13.761 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.951 13.560 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.567 12.863 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.279 11.109 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.227 11.955 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.004 15.715 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.271 14.685 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.629 14.889 0.944 1.00 0.00 H new ATOM 814 N PRO A 54 3.986 10.942 0.335 1.00 0.00 N ATOM 815 CA PRO A 54 5.323 11.012 -0.276 1.00 0.00 C ATOM 816 C PRO A 54 5.966 12.391 -0.142 1.00 0.00 C ATOM 817 O PRO A 54 6.230 13.066 -1.137 1.00 0.00 O ATOM 818 CB PRO A 54 5.045 10.697 -1.754 1.00 0.00 C ATOM 819 CG PRO A 54 3.591 10.952 -1.921 1.00 0.00 C ATOM 820 CD PRO A 54 2.985 10.488 -0.643 1.00 0.00 C ATOM 0 HA PRO A 54 6.024 10.330 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.638 11.331 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.297 9.664 -1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.390 12.009 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.187 10.406 -2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.006 10.935 -0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.850 9.407 -0.621 1.00 0.00 H new ATOM 828 N LEU A 55 6.217 12.800 1.093 1.00 0.00 N ATOM 829 CA LEU A 55 6.830 14.092 1.365 1.00 0.00 C ATOM 830 C LEU A 55 7.679 14.035 2.632 1.00 0.00 C ATOM 831 O LEU A 55 8.731 14.669 2.715 1.00 0.00 O ATOM 832 CB LEU A 55 5.752 15.170 1.500 1.00 0.00 C ATOM 833 CG LEU A 55 6.257 16.541 1.962 1.00 0.00 C ATOM 834 CD1 LEU A 55 5.898 17.616 0.949 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.688 16.886 3.332 1.00 0.00 C ATOM 0 H LEU A 55 6.004 12.252 1.927 1.00 0.00 H new ATOM 0 HA LEU A 55 7.481 14.344 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.256 15.289 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.998 14.821 2.206 1.00 0.00 H new ATOM 0 HG LEU A 55 7.343 16.496 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.266 18.581 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.355 17.378 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.815 17.661 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.057 17.863 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.600 16.910 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.999 16.132 4.056 1.00 0.00 H new ATOM 847 N TYR A 56 7.216 13.270 3.616 1.00 0.00 N ATOM 848 CA TYR A 56 7.932 13.128 4.878 1.00 0.00 C ATOM 849 C TYR A 56 8.878 11.935 4.830 1.00 0.00 C ATOM 850 O TYR A 56 10.019 12.021 5.285 1.00 0.00 O ATOM 851 CB TYR A 56 6.946 12.967 6.040 1.00 0.00 C ATOM 852 CG TYR A 56 5.623 13.664 5.821 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.611 13.050 5.099 1.00 0.00 C ATOM 854 CD2 TYR A 56 5.390 14.935 6.330 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.402 13.680 4.891 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.181 15.574 6.127 1.00 0.00 C ATOM 857 CZ TYR A 56 3.191 14.941 5.403 1.00 0.00 C ATOM 858 OH TYR A 56 1.986 15.573 5.197 1.00 0.00 O ATOM 0 H TYR A 56 6.347 12.739 3.563 1.00 0.00 H new ATOM 0 HA TYR A 56 8.519 14.032 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.763 11.905 6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.404 13.356 6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.772 12.062 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.166 15.432 6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.623 13.186 4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.012 16.561 6.532 1.00 0.00 H new ATOM 0 HH TYR A 56 2.002 16.454 5.625 1.00 0.00 H new ATOM 868 N TYR A 57 8.405 10.821 4.275 1.00 0.00 N ATOM 869 CA TYR A 57 9.230 9.621 4.175 1.00 0.00 C ATOM 870 C TYR A 57 10.095 9.662 2.914 1.00 0.00 C ATOM 871 O TYR A 57 9.747 10.321 1.935 1.00 0.00 O ATOM 872 CB TYR A 57 8.361 8.362 4.193 1.00 0.00 C ATOM 873 CG TYR A 57 7.495 8.186 2.965 1.00 0.00 C ATOM 874 CD1 TYR A 57 6.210 8.710 2.917 1.00 0.00 C ATOM 875 CD2 TYR A 57 7.961 7.486 1.860 1.00 0.00 C ATOM 876 CE1 TYR A 57 5.413 8.542 1.800 1.00 0.00 C ATOM 877 CE2 TYR A 57 7.169 7.315 0.740 1.00 0.00 C ATOM 878 CZ TYR A 57 5.897 7.844 0.716 1.00 0.00 C ATOM 879 OH TYR A 57 5.108 7.674 -0.399 1.00 0.00 O ATOM 0 H TYR A 57 7.465 10.725 3.892 1.00 0.00 H new ATOM 0 HA TYR A 57 9.891 9.591 5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 57 9.007 7.490 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.720 8.389 5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.827 9.257 3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.957 7.069 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.416 8.956 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.546 6.769 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 57 5.663 7.379 -1.151 1.00 0.00 H new ATOM 889 N PRO A 58 11.247 8.967 2.931 1.00 0.00 N ATOM 890 CA PRO A 58 12.176 8.937 1.791 1.00 0.00 C ATOM 891 C PRO A 58 11.615 8.203 0.575 1.00 0.00 C ATOM 892 O PRO A 58 12.204 7.228 0.107 1.00 0.00 O ATOM 893 CB PRO A 58 13.399 8.201 2.347 1.00 0.00 C ATOM 894 CG PRO A 58 12.867 7.373 3.465 1.00 0.00 C ATOM 895 CD PRO A 58 11.744 8.168 4.067 1.00 0.00 C ATOM 0 HA PRO A 58 12.390 9.942 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.869 7.581 1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.156 8.901 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.512 6.408 3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.642 7.170 4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.967 7.521 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.092 8.802 4.883 1.00 0.00 H new ATOM 903 N ASN A 59 10.483 8.692 0.062 1.00 0.00 N ATOM 904 CA ASN A 59 9.821 8.113 -1.115 1.00 0.00 C ATOM 905 C ASN A 59 10.247 6.666 -1.376 1.00 0.00 C ATOM 906 O ASN A 59 10.927 6.374 -2.360 1.00 0.00 O ATOM 907 CB ASN A 59 10.113 8.969 -2.350 1.00 0.00 C ATOM 908 CG ASN A 59 9.217 10.190 -2.430 1.00 0.00 C ATOM 909 OD1 ASN A 59 8.367 10.295 -3.315 1.00 0.00 O ATOM 910 ND2 ASN A 59 9.402 11.122 -1.503 1.00 0.00 N ATOM 0 H ASN A 59 9.998 9.501 0.450 1.00 0.00 H new ATOM 0 HA ASN A 59 8.751 8.104 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.155 9.287 -2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.981 8.365 -3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.828 11.965 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.118 10.995 -0.788 1.00 0.00 H new ATOM 917 N ALA A 60 9.841 5.762 -0.488 1.00 0.00 N ATOM 918 CA ALA A 60 10.179 4.350 -0.625 1.00 0.00 C ATOM 919 C ALA A 60 9.702 3.796 -1.964 1.00 0.00 C ATOM 920 O ALA A 60 10.301 2.870 -2.512 1.00 0.00 O ATOM 921 CB ALA A 60 9.577 3.550 0.522 1.00 0.00 C ATOM 0 H ALA A 60 9.278 5.983 0.333 1.00 0.00 H new ATOM 0 HA ALA A 60 11.265 4.258 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.837 2.498 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.970 3.920 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.493 3.659 0.512 1.00 0.00 H new ATOM 927 N GLY A 61 8.622 4.369 -2.486 1.00 0.00 N ATOM 928 CA GLY A 61 8.084 3.920 -3.757 1.00 0.00 C ATOM 929 C GLY A 61 6.822 3.097 -3.594 1.00 0.00 C ATOM 930 O GLY A 61 6.830 1.885 -3.809 1.00 0.00 O ATOM 0 H GLY A 61 8.110 5.136 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.871 4.786 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.836 3.327 -4.277 1.00 0.00 H new ATOM 934 N LEU A 62 5.735 3.758 -3.213 1.00 0.00 N ATOM 935 CA LEU A 62 4.457 3.080 -3.023 1.00 0.00 C ATOM 936 C LEU A 62 3.738 2.900 -4.356 1.00 0.00 C ATOM 937 O LEU A 62 3.691 3.817 -5.174 1.00 0.00 O ATOM 938 CB LEU A 62 3.573 3.873 -2.056 1.00 0.00 C ATOM 939 CG LEU A 62 4.310 4.506 -0.874 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.357 5.356 -0.047 1.00 0.00 C ATOM 941 CD2 LEU A 62 4.954 3.432 -0.011 1.00 0.00 C ATOM 0 H LEU A 62 5.712 4.761 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 62 4.654 2.096 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.068 4.662 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.799 3.210 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 62 5.097 5.151 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.897 5.799 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.941 6.148 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.549 4.731 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.474 3.900 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.184 2.761 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.666 2.864 -0.609 1.00 0.00 H new ATOM 953 N THR A 63 3.179 1.713 -4.566 1.00 0.00 N ATOM 954 CA THR A 63 2.462 1.416 -5.801 1.00 0.00 C ATOM 955 C THR A 63 1.053 1.998 -5.759 1.00 0.00 C ATOM 956 O THR A 63 0.077 1.272 -5.572 1.00 0.00 O ATOM 957 CB THR A 63 2.403 -0.095 -6.036 1.00 0.00 C ATOM 958 OG1 THR A 63 2.737 -0.803 -4.856 1.00 0.00 O ATOM 959 CG2 THR A 63 3.335 -0.566 -7.133 1.00 0.00 C ATOM 0 H THR A 63 3.208 0.942 -3.899 1.00 0.00 H new ATOM 0 HA THR A 63 3.002 1.877 -6.628 1.00 0.00 H new ATOM 0 HB THR A 63 1.376 -0.299 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.691 -1.767 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.244 -1.646 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.070 -0.077 -8.070 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.363 -0.314 -6.870 1.00 0.00 H new ATOM 967 N ARG A 64 0.958 3.315 -5.934 1.00 0.00 N ATOM 968 CA ARG A 64 -0.327 4.014 -5.917 1.00 0.00 C ATOM 969 C ARG A 64 -1.193 3.566 -4.737 1.00 0.00 C ATOM 970 O ARG A 64 -1.107 4.137 -3.651 1.00 0.00 O ATOM 971 CB ARG A 64 -1.083 3.820 -7.243 1.00 0.00 C ATOM 972 CG ARG A 64 -0.685 2.571 -8.016 1.00 0.00 C ATOM 973 CD ARG A 64 -1.298 2.558 -9.408 1.00 0.00 C ATOM 974 NE ARG A 64 -2.568 1.836 -9.440 1.00 0.00 N ATOM 975 CZ ARG A 64 -3.368 1.790 -10.502 1.00 0.00 C ATOM 976 NH1 ARG A 64 -3.035 2.424 -11.621 1.00 0.00 N ATOM 977 NH2 ARG A 64 -4.505 1.110 -10.448 1.00 0.00 N ATOM 0 H ARG A 64 1.762 3.924 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.115 5.076 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.152 3.779 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.915 4.692 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.401 2.521 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.005 1.685 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.455 3.583 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.601 2.096 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.858 1.338 -8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.162 2.949 -11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.652 2.385 -12.432 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.767 0.622 -9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.118 1.075 -11.263 1.00 0.00 H new ATOM 991 N ASN A 65 -2.023 2.547 -4.952 1.00 0.00 N ATOM 992 CA ASN A 65 -2.896 2.035 -3.900 1.00 0.00 C ATOM 993 C ASN A 65 -2.861 0.510 -3.862 1.00 0.00 C ATOM 994 O ASN A 65 -3.904 -0.144 -3.810 1.00 0.00 O ATOM 995 CB ASN A 65 -4.331 2.520 -4.121 1.00 0.00 C ATOM 996 CG ASN A 65 -4.950 1.949 -5.383 1.00 0.00 C ATOM 997 OD1 ASN A 65 -4.337 1.960 -6.450 1.00 0.00 O ATOM 998 ND2 ASN A 65 -6.174 1.445 -5.267 1.00 0.00 N ATOM 0 H ASN A 65 -2.109 2.061 -5.845 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.536 2.413 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.942 2.241 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.339 3.609 -4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.641 1.047 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.647 1.456 -4.363 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.660 -0.048 -3.896 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.492 -1.495 -3.873 1.00 0.00 C ATOM 1007 C TYR A 66 -1.368 -2.017 -2.444 1.00 0.00 C ATOM 1008 O TYR A 66 -0.290 -1.963 -1.852 1.00 0.00 O ATOM 1009 CB TYR A 66 -0.259 -1.895 -4.688 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.528 -2.079 -6.170 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -1.711 -1.631 -6.751 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.405 -2.704 -6.988 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -1.952 -1.803 -8.101 1.00 0.00 C ATOM 1014 CE2 TYR A 66 0.170 -2.878 -8.338 1.00 0.00 C ATOM 1015 CZ TYR A 66 -1.010 -2.427 -8.889 1.00 0.00 C ATOM 1016 OH TYR A 66 -1.247 -2.599 -10.234 1.00 0.00 O ATOM 0 H TYR A 66 -0.787 0.478 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.379 -1.944 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.510 -1.133 -4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.144 -2.824 -4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.452 -1.141 -6.137 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.331 -3.060 -6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.875 -1.450 -8.536 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.907 -3.365 -8.959 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.483 -3.055 -10.645 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.481 -2.523 -1.897 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.510 -3.064 -0.533 1.00 0.00 C ATOM 1028 C CYS A 67 -1.169 -3.662 -0.126 1.00 0.00 C ATOM 1029 O CYS A 67 -0.784 -4.736 -0.586 1.00 0.00 O ATOM 1030 CB CYS A 67 -3.608 -4.122 -0.404 1.00 0.00 C ATOM 1031 SG CYS A 67 -4.478 -4.106 1.200 1.00 0.00 S ATOM 0 H CYS A 67 -3.377 -2.569 -2.382 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.722 -2.232 0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.336 -3.973 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.167 -5.107 -0.556 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.464 -2.945 0.741 1.00 0.00 N ATOM 1037 CA ARG A 68 0.842 -3.383 1.221 1.00 0.00 C ATOM 1038 C ARG A 68 1.149 -2.782 2.591 1.00 0.00 C ATOM 1039 O ARG A 68 0.322 -2.075 3.168 1.00 0.00 O ATOM 1040 CB ARG A 68 1.930 -2.982 0.226 1.00 0.00 C ATOM 1041 CG ARG A 68 1.958 -1.493 -0.077 1.00 0.00 C ATOM 1042 CD ARG A 68 2.723 -1.194 -1.358 1.00 0.00 C ATOM 1043 NE ARG A 68 3.897 -0.359 -1.109 1.00 0.00 N ATOM 1044 CZ ARG A 68 5.002 -0.384 -1.851 1.00 0.00 C ATOM 1045 NH1 ARG A 68 5.091 -1.195 -2.897 1.00 0.00 N ATOM 1046 NH2 ARG A 68 6.020 0.408 -1.547 1.00 0.00 N ATOM 0 H ARG A 68 -0.776 -2.054 1.128 1.00 0.00 H new ATOM 0 HA ARG A 68 0.822 -4.469 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.901 -3.282 0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.781 -3.531 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.938 -1.121 -0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.419 -0.961 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.035 -2.130 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.064 -0.692 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 68 3.868 0.283 -0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.310 -1.805 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.941 -1.209 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.956 1.036 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.867 0.390 -2.115 1.00 0.00 H new ATOM 1060 N ASN A 69 2.345 -3.063 3.103 1.00 0.00 N ATOM 1061 CA ASN A 69 2.762 -2.545 4.402 1.00 0.00 C ATOM 1062 C ASN A 69 4.234 -2.135 4.377 1.00 0.00 C ATOM 1063 O ASN A 69 5.068 -2.829 3.796 1.00 0.00 O ATOM 1064 CB ASN A 69 2.533 -3.589 5.497 1.00 0.00 C ATOM 1065 CG ASN A 69 3.287 -4.882 5.240 1.00 0.00 C ATOM 1066 OD1 ASN A 69 3.507 -5.269 4.092 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.688 -5.558 6.312 1.00 0.00 N ATOM 0 H ASN A 69 3.041 -3.646 2.638 1.00 0.00 H new ATOM 0 HA ASN A 69 2.158 -1.665 4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.843 -3.177 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.467 -3.803 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.199 -6.434 6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.484 -5.201 7.246 1.00 0.00 H new ATOM 1074 N PRO A 70 4.575 -1.001 5.017 1.00 0.00 N ATOM 1075 CA PRO A 70 5.953 -0.513 5.070 1.00 0.00 C ATOM 1076 C PRO A 70 6.787 -1.279 6.089 1.00 0.00 C ATOM 1077 O PRO A 70 7.981 -1.505 5.890 1.00 0.00 O ATOM 1078 CB PRO A 70 5.786 0.943 5.497 1.00 0.00 C ATOM 1079 CG PRO A 70 4.547 0.951 6.322 1.00 0.00 C ATOM 1080 CD PRO A 70 3.648 -0.115 5.747 1.00 0.00 C ATOM 0 HA PRO A 70 6.477 -0.635 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.646 1.290 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.692 1.601 4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.775 0.745 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.063 1.927 6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.114 -0.653 6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.896 0.311 5.083 1.00 0.00 H new ATOM 1088 N ASP A 71 6.142 -1.682 7.179 1.00 0.00 N ATOM 1089 CA ASP A 71 6.812 -2.430 8.235 1.00 0.00 C ATOM 1090 C ASP A 71 6.685 -3.933 7.984 1.00 0.00 C ATOM 1091 O ASP A 71 6.524 -4.364 6.842 1.00 0.00 O ATOM 1092 CB ASP A 71 6.219 -2.060 9.598 1.00 0.00 C ATOM 1093 CG ASP A 71 7.275 -1.984 10.684 1.00 0.00 C ATOM 1094 OD1 ASP A 71 8.025 -0.986 10.714 1.00 0.00 O ATOM 1095 OD2 ASP A 71 7.350 -2.922 11.505 1.00 0.00 O ATOM 0 H ASP A 71 5.153 -1.502 7.354 1.00 0.00 H new ATOM 0 HA ASP A 71 7.871 -2.170 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.710 -1.099 9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.467 -2.798 9.877 1.00 0.00 H new ATOM 1100 N ALA A 72 6.758 -4.728 9.047 1.00 0.00 N ATOM 1101 CA ALA A 72 6.654 -6.177 8.920 1.00 0.00 C ATOM 1102 C ALA A 72 5.647 -6.752 9.914 1.00 0.00 C ATOM 1103 O ALA A 72 5.944 -6.892 11.099 1.00 0.00 O ATOM 1104 CB ALA A 72 8.016 -6.820 9.120 1.00 0.00 C ATOM 0 H ALA A 72 6.888 -4.395 10.002 1.00 0.00 H new ATOM 0 HA ALA A 72 6.297 -6.401 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.925 -7.902 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.709 -6.445 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.392 -6.575 10.114 1.00 0.00 H new ATOM 1110 N GLU A 73 4.456 -7.086 9.422 1.00 0.00 N ATOM 1111 CA GLU A 73 3.411 -7.648 10.270 1.00 0.00 C ATOM 1112 C GLU A 73 2.559 -8.652 9.499 1.00 0.00 C ATOM 1113 O GLU A 73 1.533 -8.292 8.921 1.00 0.00 O ATOM 1114 CB GLU A 73 2.528 -6.531 10.828 1.00 0.00 C ATOM 1115 CG GLU A 73 2.388 -6.575 12.338 1.00 0.00 C ATOM 1116 CD GLU A 73 1.235 -5.729 12.845 1.00 0.00 C ATOM 1117 OE1 GLU A 73 1.451 -4.527 13.111 1.00 0.00 O ATOM 1118 OE2 GLU A 73 0.116 -6.268 12.973 1.00 0.00 O ATOM 0 H GLU A 73 4.192 -6.977 8.443 1.00 0.00 H new ATOM 0 HA GLU A 73 3.891 -8.172 11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.946 -5.567 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.538 -6.599 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.242 -7.608 12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.315 -6.229 12.795 1.00 0.00 H new ATOM 1125 N ILE A 74 2.994 -9.915 9.501 1.00 0.00 N ATOM 1126 CA ILE A 74 2.282 -10.993 8.805 1.00 0.00 C ATOM 1127 C ILE A 74 1.708 -10.523 7.465 1.00 0.00 C ATOM 1128 O ILE A 74 2.395 -10.560 6.445 1.00 0.00 O ATOM 1129 CB ILE A 74 1.151 -11.596 9.675 1.00 0.00 C ATOM 1130 CG1 ILE A 74 0.645 -10.575 10.703 1.00 0.00 C ATOM 1131 CG2 ILE A 74 1.641 -12.861 10.366 1.00 0.00 C ATOM 1132 CD1 ILE A 74 -0.399 -11.131 11.650 1.00 0.00 C ATOM 0 H ILE A 74 3.842 -10.219 9.980 1.00 0.00 H new ATOM 0 HA ILE A 74 3.021 -11.771 8.613 1.00 0.00 H new ATOM 0 HB ILE A 74 0.315 -11.855 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.491 -10.208 11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.225 -9.719 10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.838 -13.277 10.975 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.943 -13.592 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.493 -12.621 11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.709 -10.353 12.347 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.263 -11.472 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.023 -11.969 12.205 1.00 0.00 H new ATOM 1144 N ARG A 75 0.456 -10.073 7.469 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.184 -9.592 6.253 1.00 0.00 C ATOM 1146 C ARG A 75 -0.224 -8.068 6.253 1.00 0.00 C ATOM 1147 O ARG A 75 -0.344 -7.445 7.305 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.607 -10.153 6.110 1.00 0.00 C ATOM 1149 CG ARG A 75 -1.971 -11.209 7.144 1.00 0.00 C ATOM 1150 CD ARG A 75 -2.501 -10.577 8.420 1.00 0.00 C ATOM 1151 NE ARG A 75 -3.684 -11.273 8.923 1.00 0.00 N ATOM 1152 CZ ARG A 75 -4.052 -11.289 10.203 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -3.341 -10.637 11.115 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -5.137 -11.955 10.571 1.00 0.00 N ATOM 0 H ARG A 75 -0.133 -10.032 8.301 1.00 0.00 H new ATOM 0 HA ARG A 75 0.403 -9.940 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.318 -9.330 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.717 -10.583 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.722 -11.882 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.093 -11.814 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.722 -10.589 9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.747 -9.532 8.232 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.264 -11.778 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.507 -10.119 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.629 -10.654 12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.689 -12.455 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.420 -11.968 11.551 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.115 -7.443 5.070 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.131 -5.985 4.940 1.00 0.00 C ATOM 1170 C PRO A 76 -1.309 -5.341 5.670 1.00 0.00 C ATOM 1171 O PRO A 76 -2.157 -6.033 6.234 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.236 -5.748 3.426 1.00 0.00 C ATOM 1173 CG PRO A 76 -0.519 -7.085 2.820 1.00 0.00 C ATOM 1174 CD PRO A 76 0.040 -8.102 3.768 1.00 0.00 C ATOM 0 HA PRO A 76 0.755 -5.535 5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.031 -5.039 3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.689 -5.328 3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.590 -7.230 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.055 -7.173 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.508 -9.043 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.084 -8.329 3.550 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.346 -4.011 5.659 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.412 -3.262 6.326 1.00 0.00 C ATOM 1184 C TRP A 77 -2.649 -1.923 5.634 1.00 0.00 C ATOM 1185 O TRP A 77 -1.825 -1.013 5.720 1.00 0.00 O ATOM 1186 CB TRP A 77 -2.068 -3.030 7.804 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.650 -3.372 8.159 1.00 0.00 C ATOM 1188 CD1 TRP A 77 -0.130 -4.622 8.333 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.427 -2.454 8.386 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.204 -4.539 8.648 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.570 -3.221 8.687 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.538 -1.062 8.360 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.805 -2.640 8.962 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.765 -0.486 8.633 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.884 -1.274 8.930 1.00 0.00 C ATOM 0 H TRP A 77 -0.650 -3.427 5.195 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.325 -3.854 6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.252 -1.984 8.050 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.741 -3.625 8.421 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.687 -5.542 8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.822 -5.331 8.824 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.319 -0.446 8.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.669 -3.245 9.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.862 0.590 8.617 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.829 -0.794 9.138 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.786 -1.809 4.956 1.00 0.00 N ATOM 1207 CA CYS A 78 -4.136 -0.579 4.258 1.00 0.00 C ATOM 1208 C CYS A 78 -5.587 -0.199 4.524 1.00 0.00 C ATOM 1209 O CYS A 78 -6.324 -0.941 5.175 1.00 0.00 O ATOM 1210 CB CYS A 78 -3.907 -0.732 2.754 1.00 0.00 C ATOM 1211 SG CYS A 78 -3.016 0.665 1.996 1.00 0.00 S ATOM 0 H CYS A 78 -4.479 -2.553 4.875 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.493 0.216 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.346 -1.649 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -4.872 -0.846 2.259 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.990 0.960 4.020 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.354 1.440 4.205 1.00 0.00 C ATOM 1218 C TYR A 79 -8.254 0.924 3.082 1.00 0.00 C ATOM 1219 O TYR A 79 -7.946 -0.092 2.461 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.369 2.971 4.263 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.464 3.563 5.331 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.737 2.754 6.203 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.339 4.941 5.466 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -4.918 3.303 7.173 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.522 5.496 6.432 1.00 0.00 C ATOM 1226 CZ TYR A 79 -4.815 4.673 7.282 1.00 0.00 C ATOM 1227 OH TYR A 79 -4.001 5.222 8.247 1.00 0.00 O ATOM 0 H TYR A 79 -5.392 1.585 3.480 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.741 1.059 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.070 3.363 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.391 3.307 4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.815 1.680 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.891 5.590 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.362 2.662 7.841 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.438 6.569 6.521 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.477 5.953 7.856 1.00 0.00 H new ATOM 1237 N THR A 80 -9.366 1.609 2.827 1.00 0.00 N ATOM 1238 CA THR A 80 -10.290 1.191 1.785 1.00 0.00 C ATOM 1239 C THR A 80 -10.923 2.389 1.088 1.00 0.00 C ATOM 1240 O THR A 80 -11.078 3.457 1.679 1.00 0.00 O ATOM 1241 CB THR A 80 -11.384 0.306 2.376 1.00 0.00 C ATOM 1242 OG1 THR A 80 -12.331 1.088 3.079 1.00 0.00 O ATOM 1243 CG2 THR A 80 -10.855 -0.745 3.329 1.00 0.00 C ATOM 0 H THR A 80 -9.645 2.453 3.328 1.00 0.00 H new ATOM 0 HA THR A 80 -9.722 0.626 1.046 1.00 0.00 H new ATOM 0 HB THR A 80 -11.841 -0.199 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.879 1.848 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.685 -1.339 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.156 -1.395 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.343 -0.259 4.159 1.00 0.00 H new ATOM 1251 N MET A 81 -11.299 2.195 -0.173 1.00 0.00 N ATOM 1252 CA MET A 81 -11.927 3.249 -0.957 1.00 0.00 C ATOM 1253 C MET A 81 -13.205 3.738 -0.276 1.00 0.00 C ATOM 1254 O MET A 81 -13.665 4.852 -0.526 1.00 0.00 O ATOM 1255 CB MET A 81 -12.242 2.744 -2.365 1.00 0.00 C ATOM 1256 CG MET A 81 -12.121 3.814 -3.438 1.00 0.00 C ATOM 1257 SD MET A 81 -10.529 3.773 -4.283 1.00 0.00 S ATOM 1258 CE MET A 81 -9.541 4.793 -3.192 1.00 0.00 C ATOM 0 H MET A 81 -11.178 1.314 -0.673 1.00 0.00 H new ATOM 0 HA MET A 81 -11.231 4.085 -1.029 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.568 1.922 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 81 -13.254 2.341 -2.379 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.919 3.682 -4.169 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.262 4.795 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.992 5.529 -3.780 1.00 0.00 H new ATOM 0 HE2 MET A 81 -10.192 5.307 -2.485 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.836 4.165 -2.646 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.769 2.898 0.588 1.00 0.00 N ATOM 1269 CA ASP A 82 -14.984 3.239 1.309 1.00 0.00 C ATOM 1270 C ASP A 82 -14.645 3.875 2.654 1.00 0.00 C ATOM 1271 O ASP A 82 -13.862 3.327 3.430 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.842 1.990 1.524 1.00 0.00 C ATOM 1273 CG ASP A 82 -16.160 1.276 0.225 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -15.224 0.731 -0.397 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -17.345 1.263 -0.170 1.00 0.00 O ATOM 0 H ASP A 82 -13.399 1.972 0.804 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.548 3.957 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.321 1.306 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.772 2.272 2.017 1.00 0.00 H new ATOM 1280 N PRO A 83 -15.231 5.046 2.950 1.00 0.00 N ATOM 1281 CA PRO A 83 -14.987 5.761 4.209 1.00 0.00 C ATOM 1282 C PRO A 83 -15.540 5.027 5.431 1.00 0.00 C ATOM 1283 O PRO A 83 -15.321 5.447 6.566 1.00 0.00 O ATOM 1284 CB PRO A 83 -15.721 7.089 4.010 1.00 0.00 C ATOM 1285 CG PRO A 83 -16.775 6.786 3.003 1.00 0.00 C ATOM 1286 CD PRO A 83 -16.175 5.770 2.081 1.00 0.00 C ATOM 0 HA PRO A 83 -13.921 5.866 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.155 7.446 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -15.045 7.867 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.674 6.398 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -17.067 7.684 2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.932 5.105 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.668 6.240 1.238 1.00 0.00 H new ATOM 1294 N SER A 84 -16.260 3.929 5.198 1.00 0.00 N ATOM 1295 CA SER A 84 -16.838 3.150 6.289 1.00 0.00 C ATOM 1296 C SER A 84 -15.909 2.014 6.712 1.00 0.00 C ATOM 1297 O SER A 84 -16.367 0.935 7.088 1.00 0.00 O ATOM 1298 CB SER A 84 -18.196 2.581 5.871 1.00 0.00 C ATOM 1299 OG SER A 84 -18.791 3.374 4.857 1.00 0.00 O ATOM 0 H SER A 84 -16.455 3.562 4.267 1.00 0.00 H new ATOM 0 HA SER A 84 -16.972 3.817 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.071 1.560 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.857 2.536 6.737 1.00 0.00 H new ATOM 0 HG SER A 84 -19.656 2.989 4.606 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.604 2.264 6.657 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.613 1.263 7.041 1.00 0.00 C ATOM 1307 C VAL A 85 -12.410 1.920 7.701 1.00 0.00 C ATOM 1308 O VAL A 85 -12.169 1.742 8.895 1.00 0.00 O ATOM 1309 CB VAL A 85 -13.117 0.445 5.833 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.606 -0.915 6.283 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -14.217 0.293 4.797 1.00 0.00 C ATOM 0 H VAL A 85 -14.208 3.152 6.350 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.109 0.592 7.742 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.290 0.984 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.260 -1.479 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.780 -0.780 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.411 -1.462 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.844 -0.288 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.069 -0.221 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.529 1.278 4.450 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.650 2.671 6.903 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.453 3.358 7.385 1.00 0.00 C ATOM 1323 C ARG A 86 -9.264 2.400 7.469 1.00 0.00 C ATOM 1324 O ARG A 86 -8.114 2.833 7.456 1.00 0.00 O ATOM 1325 CB ARG A 86 -10.706 4.000 8.753 1.00 0.00 C ATOM 1326 CG ARG A 86 -10.021 5.346 8.928 1.00 0.00 C ATOM 1327 CD ARG A 86 -10.549 6.086 10.147 1.00 0.00 C ATOM 1328 NE ARG A 86 -9.695 5.892 11.316 1.00 0.00 N ATOM 1329 CZ ARG A 86 -9.940 6.429 12.509 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -11.009 7.191 12.696 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -9.111 6.203 13.520 1.00 0.00 N ATOM 0 H ARG A 86 -11.845 2.819 5.913 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.214 4.144 6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.780 4.127 8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.361 3.322 9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.946 5.198 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.177 5.953 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.620 7.150 9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.557 5.740 10.373 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.863 5.311 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.650 7.369 11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.190 7.599 13.613 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.287 5.618 13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.298 6.614 14.435 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.546 1.101 7.555 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.493 0.095 7.638 1.00 0.00 C ATOM 1347 C TRP A 87 -9.057 -1.295 7.344 1.00 0.00 C ATOM 1348 O TRP A 87 -10.187 -1.608 7.720 1.00 0.00 O ATOM 1349 CB TRP A 87 -7.817 0.156 9.019 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.541 -1.177 9.647 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.456 -2.081 10.096 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -6.252 -1.744 9.905 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.817 -3.180 10.616 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.463 -2.995 10.510 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -4.942 -1.314 9.682 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.411 -3.821 10.892 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -3.898 -2.136 10.064 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -4.138 -3.377 10.663 1.00 0.00 C ATOM 0 H TRP A 87 -10.493 0.723 7.569 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.735 0.305 6.884 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.876 0.698 8.923 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.450 0.734 9.692 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.527 -1.952 10.050 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.275 -3.999 11.015 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.748 -0.357 9.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.593 -4.780 11.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -2.881 -1.815 9.897 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.301 -3.997 10.950 1.00 0.00 H new ATOM 1369 N GLU A 88 -8.266 -2.123 6.670 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.692 -3.477 6.331 1.00 0.00 C ATOM 1371 C GLU A 88 -7.496 -4.358 5.987 1.00 0.00 C ATOM 1372 O GLU A 88 -6.417 -3.858 5.662 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.675 -3.447 5.159 1.00 0.00 C ATOM 1374 CG GLU A 88 -11.098 -3.811 5.550 1.00 0.00 C ATOM 1375 CD GLU A 88 -12.057 -3.766 4.377 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -11.595 -3.937 3.228 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -13.267 -3.560 4.606 1.00 0.00 O ATOM 0 H GLU A 88 -7.329 -1.882 6.348 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.190 -3.901 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.672 -2.450 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.331 -4.137 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.107 -4.811 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.444 -3.126 6.324 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.695 -5.668 6.055 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.634 -6.619 5.744 1.00 0.00 C ATOM 1386 C TYR A 89 -6.664 -7.005 4.271 1.00 0.00 C ATOM 1387 O TYR A 89 -7.734 -7.164 3.687 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.765 -7.866 6.615 1.00 0.00 C ATOM 1389 CG TYR A 89 -6.437 -7.615 8.066 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -7.151 -6.681 8.802 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -5.413 -8.309 8.701 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.856 -6.442 10.130 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -5.113 -8.077 10.028 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.837 -7.144 10.738 1.00 0.00 C ATOM 1395 OH TYR A 89 -5.540 -6.909 12.061 1.00 0.00 O ATOM 0 H TYR A 89 -8.581 -6.097 6.323 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.678 -6.139 5.954 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.783 -8.248 6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.104 -8.642 6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.951 -6.131 8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.844 -9.041 8.147 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.420 -5.710 10.689 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.315 -8.624 10.508 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.797 -7.486 12.337 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.484 -7.162 3.679 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.381 -7.538 2.273 1.00 0.00 C ATOM 1407 C CYS A 90 -5.521 -9.047 2.114 1.00 0.00 C ATOM 1408 O CYS A 90 -5.347 -9.798 3.073 1.00 0.00 O ATOM 1409 CB CYS A 90 -4.045 -7.072 1.688 1.00 0.00 C ATOM 1410 SG CYS A 90 -3.469 -5.462 2.319 1.00 0.00 S ATOM 0 H CYS A 90 -4.588 -7.035 4.149 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.190 -7.050 1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.286 -7.825 1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -4.138 -7.012 0.604 1.00 0.00 H new ATOM 1415 N ASN A 91 -5.838 -9.489 0.899 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.001 -10.913 0.632 1.00 0.00 C ATOM 1417 C ASN A 91 -4.723 -11.678 0.969 1.00 0.00 C ATOM 1418 O ASN A 91 -3.851 -11.859 0.122 1.00 0.00 O ATOM 1419 CB ASN A 91 -6.390 -11.151 -0.827 1.00 0.00 C ATOM 1420 CG ASN A 91 -5.589 -10.302 -1.788 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -6.045 -9.251 -2.239 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.385 -10.755 -2.107 1.00 0.00 N ATOM 0 H ASN A 91 -5.986 -8.885 0.090 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.804 -11.283 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.246 -12.204 -1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.451 -10.937 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.796 -10.227 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.048 -11.631 -1.709 1.00 0.00 H new ATOM 1429 N LEU A 92 -4.625 -12.121 2.219 1.00 0.00 N ATOM 1430 CA LEU A 92 -3.466 -12.857 2.692 1.00 0.00 C ATOM 1431 C LEU A 92 -3.812 -13.646 3.955 1.00 0.00 C ATOM 1432 O LEU A 92 -4.136 -13.070 4.993 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.310 -11.893 2.978 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.266 -11.781 1.863 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -1.611 -10.642 0.915 1.00 0.00 C ATOM 1436 CD2 LEU A 92 0.122 -11.583 2.451 1.00 0.00 C ATOM 0 H LEU A 92 -5.346 -11.979 2.927 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.161 -13.558 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.722 -10.902 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.810 -12.212 3.892 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.271 -12.711 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.857 -10.580 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.587 -10.825 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.637 -9.703 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.851 -11.505 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.139 -10.669 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.373 -12.433 3.086 1.00 0.00 H new ATOM 1448 N THR A 93 -3.729 -14.965 3.851 1.00 0.00 N ATOM 1449 CA THR A 93 -4.020 -15.855 4.970 1.00 0.00 C ATOM 1450 C THR A 93 -3.070 -17.038 4.962 1.00 0.00 C ATOM 1451 O THR A 93 -2.454 -17.349 3.947 1.00 0.00 O ATOM 1452 CB THR A 93 -5.468 -16.355 4.931 1.00 0.00 C ATOM 1453 OG1 THR A 93 -5.718 -17.116 3.765 1.00 0.00 O ATOM 1454 CG2 THR A 93 -6.483 -15.238 4.984 1.00 0.00 C ATOM 0 H THR A 93 -3.460 -15.448 2.994 1.00 0.00 H new ATOM 0 HA THR A 93 -3.883 -15.284 5.888 1.00 0.00 H new ATOM 0 HB THR A 93 -5.580 -16.972 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.365 -16.645 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.488 -15.658 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.354 -14.673 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.340 -14.576 4.130 1.00 0.00 H new ATOM 1462 N ARG A 94 -2.946 -17.691 6.101 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.059 -18.831 6.220 1.00 0.00 C ATOM 1464 C ARG A 94 -2.486 -19.961 5.284 1.00 0.00 C ATOM 1465 O ARG A 94 -3.545 -20.563 5.461 1.00 0.00 O ATOM 1466 CB ARG A 94 -2.054 -19.308 7.667 1.00 0.00 C ATOM 1467 CG ARG A 94 -0.867 -18.793 8.462 1.00 0.00 C ATOM 1468 CD ARG A 94 -1.095 -18.923 9.962 1.00 0.00 C ATOM 1469 NE ARG A 94 -1.652 -20.225 10.322 1.00 0.00 N ATOM 1470 CZ ARG A 94 -2.956 -20.471 10.449 1.00 0.00 C ATOM 1471 NH1 ARG A 94 -3.849 -19.510 10.241 1.00 0.00 N ATOM 1472 NH2 ARG A 94 -3.369 -21.686 10.783 1.00 0.00 N ATOM 0 H ARG A 94 -3.448 -17.452 6.956 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.052 -18.530 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.975 -18.986 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.049 -20.398 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.028 -19.348 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.686 -17.748 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.151 -18.776 10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.771 -18.135 10.295 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.002 -20.994 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.539 -18.573 9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.844 -19.709 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.689 -22.430 10.942 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.366 -21.877 10.881 1.00 0.00 H new ATOM 1486 N CYS A 95 -1.650 -20.235 4.284 1.00 0.00 N ATOM 1487 CA CYS A 95 -1.931 -21.287 3.311 1.00 0.00 C ATOM 1488 C CYS A 95 -1.355 -22.624 3.778 1.00 0.00 C ATOM 1489 O CYS A 95 -0.247 -22.676 4.313 1.00 0.00 O ATOM 1490 CB CYS A 95 -1.342 -20.910 1.947 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.443 -21.253 0.533 1.00 0.00 S ATOM 0 H CYS A 95 -0.771 -19.742 4.127 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.012 -21.391 3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.096 -19.848 1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.408 -21.453 1.805 1.00 0.00 H new ATOM 1496 N PRO A 96 -2.097 -23.729 3.582 1.00 0.00 N ATOM 1497 CA PRO A 96 -1.645 -25.065 3.989 1.00 0.00 C ATOM 1498 C PRO A 96 -0.379 -25.493 3.255 1.00 0.00 C ATOM 1499 O PRO A 96 0.289 -24.677 2.622 1.00 0.00 O ATOM 1500 CB PRO A 96 -2.818 -25.978 3.614 1.00 0.00 C ATOM 1501 CG PRO A 96 -3.591 -25.216 2.594 1.00 0.00 C ATOM 1502 CD PRO A 96 -3.429 -23.768 2.953 1.00 0.00 C ATOM 0 HA PRO A 96 -1.389 -25.101 5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.466 -26.928 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.433 -26.208 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.215 -25.414 1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.642 -25.506 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.479 -23.126 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.208 -23.432 3.637 1.00 0.00 H new ATOM 1510 N VAL A 97 -0.054 -26.780 3.348 1.00 0.00 N ATOM 1511 CA VAL A 97 1.134 -27.317 2.692 1.00 0.00 C ATOM 1512 C VAL A 97 1.107 -27.045 1.191 1.00 0.00 C ATOM 1513 O VAL A 97 0.258 -27.567 0.471 1.00 0.00 O ATOM 1514 CB VAL A 97 1.266 -28.835 2.931 1.00 0.00 C ATOM 1515 CG1 VAL A 97 0.072 -29.577 2.348 1.00 0.00 C ATOM 1516 CG2 VAL A 97 2.568 -29.358 2.344 1.00 0.00 C ATOM 0 H VAL A 97 -0.596 -27.469 3.870 1.00 0.00 H new ATOM 0 HA VAL A 97 1.995 -26.812 3.130 1.00 0.00 H new ATOM 0 HB VAL A 97 1.282 -29.013 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.185 -30.646 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.843 -29.224 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.018 -29.393 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.643 -30.431 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.586 -29.167 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.410 -28.852 2.817 1.00 0.00 H new ATOM 1526 N THR A 98 2.044 -26.224 0.728 1.00 0.00 N ATOM 1527 CA THR A 98 2.129 -25.881 -0.687 1.00 0.00 C ATOM 1528 C THR A 98 3.581 -25.852 -1.152 1.00 0.00 C ATOM 1529 O THR A 98 4.483 -26.285 -0.434 1.00 0.00 O ATOM 1530 CB THR A 98 1.472 -24.525 -0.945 1.00 0.00 C ATOM 1531 OG1 THR A 98 2.273 -23.473 -0.438 1.00 0.00 O ATOM 1532 CG2 THR A 98 0.098 -24.398 -0.321 1.00 0.00 C ATOM 0 H THR A 98 2.755 -25.784 1.312 1.00 0.00 H new ATOM 0 HA THR A 98 1.599 -26.647 -1.254 1.00 0.00 H new ATOM 0 HB THR A 98 1.370 -24.455 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.835 -22.614 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.312 -23.413 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.560 -25.165 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.176 -24.525 0.759 1.00 0.00 H new ATOM 1540 N GLU A 99 3.802 -25.339 -2.358 1.00 0.00 N ATOM 1541 CA GLU A 99 5.146 -25.253 -2.920 1.00 0.00 C ATOM 1542 C GLU A 99 5.760 -26.640 -3.078 1.00 0.00 C ATOM 1543 O GLU A 99 6.974 -26.808 -2.972 1.00 0.00 O ATOM 1544 CB GLU A 99 6.039 -24.386 -2.030 1.00 0.00 C ATOM 1545 CG GLU A 99 5.451 -23.017 -1.729 1.00 0.00 C ATOM 1546 CD GLU A 99 6.179 -22.305 -0.605 1.00 0.00 C ATOM 1547 OE1 GLU A 99 7.423 -22.411 -0.542 1.00 0.00 O ATOM 1548 OE2 GLU A 99 5.506 -21.642 0.211 1.00 0.00 O ATOM 0 H GLU A 99 3.067 -24.976 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 99 5.071 -24.794 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.220 -24.909 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.007 -24.258 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.490 -22.403 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.400 -23.127 -1.464 1.00 0.00 H new ATOM 1555 N SER A 100 4.912 -27.632 -3.332 1.00 0.00 N ATOM 1556 CA SER A 100 5.372 -29.005 -3.504 1.00 0.00 C ATOM 1557 C SER A 100 6.085 -29.503 -2.252 1.00 0.00 C ATOM 1558 O SER A 100 6.053 -28.853 -1.208 1.00 0.00 O ATOM 1559 CB SER A 100 6.305 -29.103 -4.711 1.00 0.00 C ATOM 1560 OG SER A 100 6.588 -30.455 -5.030 1.00 0.00 O ATOM 0 H SER A 100 3.903 -27.510 -3.423 1.00 0.00 H new ATOM 0 HA SER A 100 4.499 -29.635 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.847 -28.612 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.234 -28.574 -4.500 1.00 0.00 H new ATOM 0 HG SER A 100 7.185 -30.490 -5.806 1.00 0.00 H new ATOM 1566 N SER A 101 6.729 -30.660 -2.365 1.00 0.00 N ATOM 1567 CA SER A 101 7.450 -31.245 -1.240 1.00 0.00 C ATOM 1568 C SER A 101 8.769 -31.858 -1.702 1.00 0.00 C ATOM 1569 O SER A 101 8.799 -32.973 -2.221 1.00 0.00 O ATOM 1570 CB SER A 101 6.593 -32.309 -0.555 1.00 0.00 C ATOM 1571 OG SER A 101 5.521 -31.719 0.159 1.00 0.00 O ATOM 0 H SER A 101 6.766 -31.211 -3.223 1.00 0.00 H new ATOM 0 HA SER A 101 7.668 -30.450 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.200 -33.000 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.210 -32.894 0.127 1.00 0.00 H new ATOM 0 HG SER A 101 4.987 -32.421 0.586 1.00 0.00 H new ATOM 1577 N VAL A 102 9.859 -31.121 -1.509 1.00 0.00 N ATOM 1578 CA VAL A 102 11.180 -31.592 -1.904 1.00 0.00 C ATOM 1579 C VAL A 102 12.262 -31.014 -0.999 1.00 0.00 C ATOM 1580 O VAL A 102 13.366 -31.596 -0.952 1.00 0.00 O ATOM 1581 CB VAL A 102 11.495 -31.219 -3.364 1.00 0.00 C ATOM 1582 CG1 VAL A 102 10.558 -31.947 -4.317 1.00 0.00 C ATOM 1583 CG2 VAL A 102 11.406 -29.714 -3.563 1.00 0.00 C ATOM 1584 OXT VAL A 102 11.998 -29.982 -0.345 1.00 0.00 O ATOM 0 H VAL A 102 9.852 -30.195 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 102 11.171 -32.678 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 102 12.515 -31.531 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.796 -31.670 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 102 10.678 -33.023 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 102 9.527 -31.670 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.632 -29.470 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.399 -29.374 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.123 -29.218 -2.909 1.00 0.00 H new TER 1594 VAL A 102