USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 725 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 19 HIS : no HE2:sc= -0.0675 K(o=1.2,f=-4.7!) USER MOD Set 1.2: A 21 THR OG1 : rot 125:sc= 1.23 USER MOD Set 2.1: A 7 SER OG : rot 70:sc= 0.231 USER MOD Set 2.2: A 37 THR OG1 : rot -44:sc= -0.0927 USER MOD Set 3.1: A 4 HIS : no HD1:sc= -0.0898 K(o=-0.09,f=-1.3) USER MOD Set 3.2: A 76 SER OG : rot -120:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-0.034) USER MOD Single : A 5 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-0.17) USER MOD Single : A 6 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.039) USER MOD Single : A 8 HIS : no HE2:sc= 0.124 K(o=0.12,f=-1.4) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -110:sc= -1.06 USER MOD Single : A 20 GLN : amide:sc= -0.406 K(o=-0.41,f=-2.3!) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc=-0.000984 (180deg=-0.112) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 38 THR OG1 : rot -4:sc= 1.2 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.0048) USER MOD Single : A 55 HIS : no HE2:sc= 0.698 K(o=0.7,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 79:sc= 0.594 USER MOD Single : A 74 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.5!) USER MOD Single : A 77 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.67) USER MOD Single : A 78 ASN : amide:sc= -0.264 K(o=-0.26,f=-3.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -13.089 -17.008 6.332 1.00 75.00 N ATOM 2 CA HIS A 1 -12.310 -17.123 5.080 1.00 75.00 C ATOM 3 C HIS A 1 -10.864 -17.524 5.396 1.00 75.00 C ATOM 4 O HIS A 1 -9.999 -16.660 5.596 1.00 75.00 O ATOM 5 CB HIS A 1 -12.366 -15.804 4.260 1.00 75.00 C ATOM 6 CG HIS A 1 -13.711 -15.523 3.651 1.00 75.00 C ATOM 7 ND1 HIS A 1 -14.176 -16.203 2.549 1.00 75.00 N ATOM 8 CD2 HIS A 1 -14.695 -14.651 3.992 1.00 75.00 C ATOM 9 CE1 HIS A 1 -15.378 -15.768 2.242 1.00 75.00 C ATOM 10 NE2 HIS A 1 -15.715 -14.831 3.099 1.00 75.00 N ATOM 0 H1 HIS A 1 -14.068 -16.736 6.108 1.00 75.00 H new ATOM 0 H2 HIS A 1 -13.088 -17.923 6.826 1.00 75.00 H new ATOM 0 H3 HIS A 1 -12.660 -16.284 6.943 1.00 75.00 H new ATOM 0 HA HIS A 1 -12.756 -17.904 4.464 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -12.091 -14.972 4.909 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -11.621 -15.849 3.466 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -14.676 -13.949 4.812 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -15.986 -16.122 1.423 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -16.597 -14.319 3.098 1.00 75.00 H new ATOM 21 N HIS A 2 -10.620 -18.845 5.461 1.00 75.00 N ATOM 22 CA HIS A 2 -9.274 -19.397 5.684 1.00 75.00 C ATOM 23 C HIS A 2 -8.495 -19.382 4.357 1.00 75.00 C ATOM 24 O HIS A 2 -8.585 -20.321 3.557 1.00 75.00 O ATOM 25 CB HIS A 2 -9.340 -20.838 6.269 1.00 75.00 C ATOM 26 CG HIS A 2 -10.034 -20.937 7.607 1.00 75.00 C ATOM 27 ND1 HIS A 2 -9.380 -20.769 8.813 1.00 75.00 N ATOM 28 CD2 HIS A 2 -11.327 -21.192 7.924 1.00 75.00 C ATOM 29 CE1 HIS A 2 -10.240 -20.920 9.803 1.00 75.00 C ATOM 30 NE2 HIS A 2 -11.424 -21.175 9.290 1.00 75.00 N ATOM 0 H HIS A 2 -11.346 -19.555 5.361 1.00 75.00 H new ATOM 0 HA HIS A 2 -8.757 -18.776 6.416 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -9.856 -21.483 5.557 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -8.325 -21.223 6.370 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -12.132 -21.375 7.228 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -10.010 -20.847 10.856 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -12.278 -21.335 9.824 1.00 75.00 H new ATOM 39 N HIS A 3 -7.759 -18.279 4.110 1.00 75.00 N ATOM 40 CA HIS A 3 -6.921 -18.132 2.908 1.00 75.00 C ATOM 41 C HIS A 3 -5.729 -17.210 3.225 1.00 75.00 C ATOM 42 O HIS A 3 -5.895 -16.118 3.789 1.00 75.00 O ATOM 43 CB HIS A 3 -7.746 -17.599 1.702 1.00 75.00 C ATOM 44 CG HIS A 3 -8.127 -16.137 1.777 1.00 75.00 C ATOM 45 ND1 HIS A 3 -7.495 -15.165 1.033 1.00 75.00 N ATOM 46 CD2 HIS A 3 -9.057 -15.487 2.518 1.00 75.00 C ATOM 47 CE1 HIS A 3 -8.014 -13.992 1.309 1.00 75.00 C ATOM 48 NE2 HIS A 3 -8.962 -14.156 2.210 1.00 75.00 N ATOM 0 H HIS A 3 -7.730 -17.473 4.734 1.00 75.00 H new ATOM 0 HA HIS A 3 -6.542 -19.113 2.621 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -7.172 -17.762 0.790 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -8.657 -18.191 1.616 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -9.745 -15.935 3.220 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -7.715 -13.051 0.872 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -9.532 -13.412 2.613 1.00 75.00 H new ATOM 57 N HIS A 4 -4.521 -17.682 2.905 1.00 75.00 N ATOM 58 CA HIS A 4 -3.254 -16.948 3.110 1.00 75.00 C ATOM 59 C HIS A 4 -2.338 -17.170 1.899 1.00 75.00 C ATOM 60 O HIS A 4 -2.671 -17.952 1.001 1.00 75.00 O ATOM 61 CB HIS A 4 -2.553 -17.407 4.427 1.00 75.00 C ATOM 62 CG HIS A 4 -3.287 -17.037 5.696 1.00 75.00 C ATOM 63 ND1 HIS A 4 -2.946 -15.946 6.464 1.00 75.00 N ATOM 64 CD2 HIS A 4 -4.339 -17.617 6.332 1.00 75.00 C ATOM 65 CE1 HIS A 4 -3.759 -15.864 7.498 1.00 75.00 C ATOM 66 NE2 HIS A 4 -4.606 -16.860 7.439 1.00 75.00 N ATOM 0 H HIS A 4 -4.386 -18.603 2.487 1.00 75.00 H new ATOM 0 HA HIS A 4 -3.469 -15.884 3.206 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -2.429 -18.489 4.398 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -1.554 -16.972 4.461 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -4.865 -18.508 6.022 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -3.731 -15.104 8.264 1.00 75.00 H new ATOM 0 HE2 HIS A 4 -5.349 -17.043 8.113 1.00 75.00 H new ATOM 75 N HIS A 5 -1.198 -16.455 1.868 1.00 75.00 N ATOM 76 CA HIS A 5 -0.181 -16.584 0.801 1.00 75.00 C ATOM 77 C HIS A 5 1.221 -16.349 1.361 1.00 75.00 C ATOM 78 O HIS A 5 1.385 -15.897 2.508 1.00 75.00 O ATOM 79 CB HIS A 5 -0.434 -15.588 -0.374 1.00 75.00 C ATOM 80 CG HIS A 5 -1.564 -15.953 -1.300 1.00 75.00 C ATOM 81 ND1 HIS A 5 -1.695 -17.202 -1.873 1.00 75.00 N ATOM 82 CD2 HIS A 5 -2.599 -15.228 -1.764 1.00 75.00 C ATOM 83 CE1 HIS A 5 -2.757 -17.217 -2.650 1.00 75.00 C ATOM 84 NE2 HIS A 5 -3.323 -16.030 -2.598 1.00 75.00 N ATOM 0 H HIS A 5 -0.953 -15.769 2.582 1.00 75.00 H new ATOM 0 HA HIS A 5 -0.260 -17.600 0.414 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -0.635 -14.602 0.045 1.00 75.00 H new ATOM 0 HB3 HIS A 5 0.481 -15.505 -0.960 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -2.817 -14.199 -1.521 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -3.104 -18.059 -3.231 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -4.167 -15.754 -3.100 1.00 75.00 H new ATOM 93 N HIS A 6 2.225 -16.646 0.516 1.00 75.00 N ATOM 94 CA HIS A 6 3.633 -16.327 0.780 1.00 75.00 C ATOM 95 C HIS A 6 3.832 -14.818 0.569 1.00 75.00 C ATOM 96 O HIS A 6 4.024 -14.360 -0.559 1.00 75.00 O ATOM 97 CB HIS A 6 4.568 -17.153 -0.144 1.00 75.00 C ATOM 98 CG HIS A 6 4.482 -18.641 0.062 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.548 -19.403 0.484 1.00 75.00 N ATOM 100 CD2 HIS A 6 3.455 -19.511 -0.116 1.00 75.00 C ATOM 101 CE1 HIS A 6 5.183 -20.661 0.551 1.00 75.00 C ATOM 102 NE2 HIS A 6 3.923 -20.752 0.196 1.00 75.00 N ATOM 0 H HIS A 6 2.077 -17.118 -0.376 1.00 75.00 H new ATOM 0 HA HIS A 6 3.889 -16.589 1.807 1.00 75.00 H new ATOM 0 HB2 HIS A 6 4.326 -16.927 -1.182 1.00 75.00 H new ATOM 0 HB3 HIS A 6 5.597 -16.834 0.020 1.00 75.00 H new ATOM 0 HD2 HIS A 6 2.455 -19.266 -0.443 1.00 75.00 H new ATOM 0 HE1 HIS A 6 5.814 -21.485 0.849 1.00 75.00 H new ATOM 0 HE2 HIS A 6 3.380 -21.615 0.159 1.00 75.00 H new ATOM 111 N SER A 7 3.715 -14.052 1.657 1.00 75.00 N ATOM 112 CA SER A 7 3.637 -12.584 1.602 1.00 75.00 C ATOM 113 C SER A 7 4.876 -11.931 2.228 1.00 75.00 C ATOM 114 O SER A 7 5.838 -12.607 2.612 1.00 75.00 O ATOM 115 CB SER A 7 2.343 -12.135 2.331 1.00 75.00 C ATOM 116 OG SER A 7 1.207 -12.817 1.820 1.00 75.00 O ATOM 0 H SER A 7 3.671 -14.430 2.603 1.00 75.00 H new ATOM 0 HA SER A 7 3.607 -12.262 0.561 1.00 75.00 H new ATOM 0 HB2 SER A 7 2.438 -12.329 3.399 1.00 75.00 H new ATOM 0 HB3 SER A 7 2.209 -11.060 2.213 1.00 75.00 H new ATOM 0 HG SER A 7 1.241 -13.758 2.092 1.00 75.00 H new ATOM 122 N HIS A 8 4.836 -10.593 2.273 1.00 50.00 N ATOM 123 CA HIS A 8 5.794 -9.767 3.018 1.00 50.00 C ATOM 124 C HIS A 8 5.404 -9.795 4.510 1.00 50.00 C ATOM 125 O HIS A 8 4.278 -10.206 4.855 1.00 50.00 O ATOM 126 CB HIS A 8 5.781 -8.304 2.481 1.00 50.00 C ATOM 127 CG HIS A 8 6.175 -8.135 1.022 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.773 -6.993 0.532 1.00 75.00 N ATOM 129 CD2 HIS A 8 6.008 -8.945 -0.057 1.00 75.00 C ATOM 130 CE1 HIS A 8 6.952 -7.106 -0.764 1.00 75.00 C ATOM 131 NE2 HIS A 8 6.497 -8.278 -1.146 1.00 75.00 N ATOM 0 H HIS A 8 4.126 -10.046 1.785 1.00 50.00 H new ATOM 0 HA HIS A 8 6.802 -10.162 2.891 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.780 -7.895 2.618 1.00 50.00 H new ATOM 0 HB3 HIS A 8 6.456 -7.706 3.093 1.00 50.00 H new ATOM 0 HD1 HIS A 8 7.037 -6.182 1.092 1.00 75.00 H new ATOM 0 HD2 HIS A 8 5.570 -9.932 -0.055 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.398 -6.362 -1.407 1.00 75.00 H new ATOM 140 N MET A 9 6.354 -9.392 5.385 1.00 10.00 N ATOM 141 CA MET A 9 6.118 -9.240 6.844 1.00 10.00 C ATOM 142 C MET A 9 4.833 -8.419 7.104 1.00 10.00 C ATOM 143 O MET A 9 4.589 -7.423 6.406 1.00 50.00 O ATOM 144 CB MET A 9 7.348 -8.548 7.510 1.00 50.00 C ATOM 145 CG MET A 9 7.675 -7.142 6.967 1.00 50.00 C ATOM 146 SD MET A 9 9.112 -6.388 7.760 1.00 50.00 S ATOM 147 CE MET A 9 9.166 -4.790 6.945 1.00 75.00 C ATOM 0 H MET A 9 7.307 -9.162 5.102 1.00 10.00 H new ATOM 0 HA MET A 9 5.986 -10.229 7.283 1.00 10.00 H new ATOM 0 HB2 MET A 9 7.168 -8.475 8.583 1.00 50.00 H new ATOM 0 HB3 MET A 9 8.222 -9.186 7.376 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.853 -7.207 5.894 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.809 -6.495 7.108 1.00 50.00 H new ATOM 0 HE1 MET A 9 10.004 -4.212 7.333 1.00 75.00 H new ATOM 0 HE2 MET A 9 9.290 -4.933 5.872 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.236 -4.253 7.135 1.00 75.00 H new ATOM 157 N VAL A 10 3.997 -8.859 8.075 1.00 10.00 N ATOM 158 CA VAL A 10 2.725 -8.174 8.361 1.00 10.00 C ATOM 159 C VAL A 10 3.018 -6.770 8.894 1.00 10.00 C ATOM 160 O VAL A 10 3.988 -6.568 9.655 1.00 50.00 O ATOM 161 CB VAL A 10 1.772 -8.956 9.356 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.685 -10.447 8.982 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.139 -8.752 10.849 1.00 50.00 C ATOM 0 H VAL A 10 4.181 -9.673 8.662 1.00 10.00 H new ATOM 0 HA VAL A 10 2.179 -8.124 7.419 1.00 10.00 H new ATOM 0 HB VAL A 10 0.780 -8.520 9.240 1.00 50.00 H new ATOM 0 HG11 VAL A 10 1.024 -10.960 9.681 1.00 50.00 H new ATOM 0 HG12 VAL A 10 1.290 -10.546 7.971 1.00 50.00 H new ATOM 0 HG13 VAL A 10 2.679 -10.892 9.029 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.446 -9.315 11.474 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.155 -9.104 11.025 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.074 -7.693 11.098 1.00 50.00 H new ATOM 173 N GLY A 11 2.221 -5.802 8.461 1.00 10.00 N ATOM 174 CA GLY A 11 2.444 -4.428 8.820 1.00 10.00 C ATOM 175 C GLY A 11 3.482 -3.739 7.941 1.00 10.00 C ATOM 176 O GLY A 11 3.930 -2.641 8.300 1.00 50.00 O ATOM 0 H GLY A 11 1.413 -5.955 7.858 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.502 -3.884 8.753 1.00 10.00 H new ATOM 0 HA3 GLY A 11 2.767 -4.379 9.860 1.00 10.00 H new ATOM 180 N ASP A 12 3.890 -4.389 6.815 1.00 10.00 N ATOM 181 CA ASP A 12 4.956 -3.871 5.916 1.00 10.00 C ATOM 182 C ASP A 12 4.681 -2.397 5.547 1.00 10.00 C ATOM 183 O ASP A 12 3.643 -2.079 4.955 1.00 50.00 O ATOM 184 CB ASP A 12 5.075 -4.718 4.619 1.00 50.00 C ATOM 185 CG ASP A 12 6.325 -4.414 3.748 1.00 50.00 C ATOM 186 OD1 ASP A 12 7.181 -3.575 4.135 1.00 50.00 O ATOM 187 OD2 ASP A 12 6.440 -5.009 2.655 1.00 50.00 O ATOM 0 H ASP A 12 3.493 -5.277 6.509 1.00 10.00 H new ATOM 0 HA ASP A 12 5.899 -3.942 6.457 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.089 -5.773 4.892 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.182 -4.557 4.015 1.00 50.00 H new ATOM 192 N THR A 13 5.627 -1.523 5.907 1.00 10.00 N ATOM 193 CA THR A 13 5.440 -0.078 5.840 1.00 10.00 C ATOM 194 C THR A 13 5.489 0.369 4.381 1.00 10.00 C ATOM 195 O THR A 13 6.532 0.265 3.735 1.00 50.00 O ATOM 196 CB THR A 13 6.527 0.664 6.671 1.00 50.00 C ATOM 197 OG1 THR A 13 6.530 0.135 8.007 1.00 50.00 O ATOM 198 CG2 THR A 13 6.288 2.184 6.728 1.00 50.00 C ATOM 0 H THR A 13 6.545 -1.803 6.253 1.00 10.00 H new ATOM 0 HA THR A 13 4.468 0.172 6.265 1.00 10.00 H new ATOM 0 HB THR A 13 7.488 0.503 6.182 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.178 0.808 8.626 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.074 2.654 7.319 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.301 2.592 5.718 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.320 2.383 7.188 1.00 50.00 H new ATOM 206 N VAL A 14 4.334 0.798 3.862 1.00 10.00 N ATOM 207 CA VAL A 14 4.174 1.252 2.474 1.00 10.00 C ATOM 208 C VAL A 14 3.393 2.576 2.433 1.00 10.00 C ATOM 209 O VAL A 14 2.685 2.925 3.375 1.00 50.00 O ATOM 210 CB VAL A 14 3.444 0.175 1.578 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.274 -1.126 1.478 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.010 -0.106 2.080 1.00 50.00 C ATOM 0 H VAL A 14 3.470 0.841 4.402 1.00 10.00 H new ATOM 0 HA VAL A 14 5.174 1.403 2.067 1.00 10.00 H new ATOM 0 HB VAL A 14 3.358 0.589 0.574 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.746 -1.848 0.855 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.245 -0.905 1.034 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.418 -1.543 2.475 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.540 -0.852 1.439 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.049 -0.480 3.103 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.428 0.815 2.053 1.00 50.00 H new ATOM 222 N TRP A 15 3.573 3.326 1.348 1.00 10.00 N ATOM 223 CA TRP A 15 2.749 4.487 1.008 1.00 10.00 C ATOM 224 C TRP A 15 1.748 4.066 -0.064 1.00 10.00 C ATOM 225 O TRP A 15 2.091 3.270 -0.951 1.00 50.00 O ATOM 226 CB TRP A 15 3.640 5.629 0.465 1.00 50.00 C ATOM 227 CG TRP A 15 4.624 6.194 1.463 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.456 6.310 2.817 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.933 6.717 1.177 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.574 6.867 3.382 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.491 7.132 2.398 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.681 6.876 0.006 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.764 7.694 2.485 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.943 7.434 0.090 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.474 7.839 1.323 1.00 50.00 C ATOM 0 H TRP A 15 4.309 3.141 0.667 1.00 10.00 H new ATOM 0 HA TRP A 15 2.227 4.845 1.896 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.192 5.260 -0.400 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.998 6.436 0.113 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.573 6.007 3.360 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.703 7.054 4.376 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.279 6.568 -0.948 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.175 8.004 3.434 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.529 7.560 -0.808 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.462 8.274 1.357 1.00 50.00 H new ATOM 246 N VAL A 16 0.524 4.596 0.004 1.00 10.00 N ATOM 247 CA VAL A 16 -0.481 4.403 -1.043 1.00 10.00 C ATOM 248 C VAL A 16 -0.679 5.728 -1.801 1.00 10.00 C ATOM 249 O VAL A 16 -1.106 6.747 -1.226 1.00 50.00 O ATOM 250 CB VAL A 16 -1.852 3.840 -0.499 1.00 50.00 C ATOM 251 CG1 VAL A 16 -2.917 3.766 -1.621 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.643 2.442 0.136 1.00 50.00 C ATOM 0 H VAL A 16 0.203 5.169 0.784 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.108 3.639 -1.725 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.217 4.527 0.264 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -3.849 3.374 -1.213 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.089 4.763 -2.026 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.564 3.108 -2.415 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.596 2.065 0.507 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.249 1.757 -0.615 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -0.937 2.520 0.963 1.00 50.00 H new ATOM 262 N ARG A 17 -0.262 5.689 -3.071 1.00 10.00 N ATOM 263 CA ARG A 17 -0.421 6.752 -4.056 1.00 10.00 C ATOM 264 C ARG A 17 -1.914 6.977 -4.382 1.00 10.00 C ATOM 265 O ARG A 17 -2.556 6.124 -5.001 1.00 50.00 O ATOM 266 CB ARG A 17 0.387 6.348 -5.318 1.00 50.00 C ATOM 267 CG ARG A 17 0.222 7.274 -6.532 1.00 50.00 C ATOM 268 CD ARG A 17 1.049 6.825 -7.749 1.00 50.00 C ATOM 269 NE ARG A 17 2.502 6.989 -7.553 1.00 50.00 N ATOM 270 CZ ARG A 17 3.448 6.189 -8.072 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.119 5.126 -8.819 1.00 75.00 N ATOM 272 NH2 ARG A 17 4.730 6.478 -7.873 1.00 75.00 N ATOM 0 H ARG A 17 0.218 4.874 -3.453 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.044 7.697 -3.666 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.444 6.308 -5.054 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.093 5.340 -5.609 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.831 7.314 -6.810 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.517 8.286 -6.253 1.00 50.00 H new ATOM 0 HD2 ARG A 17 0.833 5.778 -7.961 1.00 50.00 H new ATOM 0 HD3 ARG A 17 0.739 7.398 -8.623 1.00 50.00 H new ATOM 0 HE ARG A 17 2.813 7.772 -6.978 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.138 4.914 -9.001 1.00 75.00 H new ATOM 0 HH12 ARG A 17 3.850 4.529 -9.206 1.00 75.00 H new ATOM 0 HH21 ARG A 17 4.989 7.302 -7.330 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.455 5.876 -8.263 1.00 75.00 H new ATOM 286 N ARG A 18 -2.452 8.118 -3.925 1.00 10.00 N ATOM 287 CA ARG A 18 -3.858 8.523 -4.150 1.00 10.00 C ATOM 288 C ARG A 18 -3.910 9.849 -4.929 1.00 10.00 C ATOM 289 O ARG A 18 -3.096 10.739 -4.699 1.00 50.00 O ATOM 290 CB ARG A 18 -4.591 8.668 -2.792 1.00 50.00 C ATOM 291 CG ARG A 18 -6.080 9.063 -2.909 1.00 50.00 C ATOM 292 CD ARG A 18 -6.778 9.166 -1.547 1.00 50.00 C ATOM 293 NE ARG A 18 -6.760 7.892 -0.816 1.00 75.00 N ATOM 294 CZ ARG A 18 -7.590 7.557 0.179 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.550 8.384 0.597 1.00 75.00 N ATOM 296 NH2 ARG A 18 -7.443 6.388 0.762 1.00 75.00 N ATOM 0 H ARG A 18 -1.920 8.798 -3.381 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.358 7.754 -4.739 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.520 7.724 -2.252 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.075 9.418 -2.193 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.158 10.020 -3.425 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.599 8.327 -3.523 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.289 9.934 -0.947 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -7.810 9.485 -1.693 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.057 7.206 -1.089 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.665 9.297 0.156 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.169 8.104 1.358 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -6.706 5.754 0.454 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -8.066 6.115 1.522 1.00 75.00 H new ATOM 310 N HIS A 19 -4.887 9.977 -5.841 1.00 50.00 N ATOM 311 CA HIS A 19 -5.039 11.175 -6.689 1.00 50.00 C ATOM 312 C HIS A 19 -5.681 12.328 -5.877 1.00 50.00 C ATOM 313 O HIS A 19 -4.970 13.230 -5.422 1.00 75.00 O ATOM 314 CB HIS A 19 -5.883 10.842 -7.971 1.00 75.00 C ATOM 315 CG HIS A 19 -5.178 11.054 -9.285 1.00 75.00 C ATOM 316 ND1 HIS A 19 -5.044 12.286 -9.873 1.00 75.00 N ATOM 317 CD2 HIS A 19 -4.588 10.176 -10.133 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.411 12.163 -11.014 1.00 75.00 C ATOM 319 NE2 HIS A 19 -4.118 10.897 -11.196 1.00 75.00 N ATOM 0 H HIS A 19 -5.591 9.259 -6.012 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.052 11.500 -7.018 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -6.203 9.802 -7.914 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -6.785 11.454 -7.960 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -5.385 13.164 -9.482 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -4.505 9.108 -9.995 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -4.171 12.969 -11.691 1.00 75.00 H new ATOM 328 N GLN A 20 -7.033 12.257 -5.693 1.00 75.00 N ATOM 329 CA GLN A 20 -7.872 13.374 -5.161 1.00 75.00 C ATOM 330 C GLN A 20 -7.716 14.662 -5.998 1.00 75.00 C ATOM 331 O GLN A 20 -8.029 15.768 -5.540 1.00 75.00 O ATOM 332 CB GLN A 20 -7.590 13.632 -3.657 1.00 75.00 C ATOM 333 CG GLN A 20 -7.945 12.447 -2.745 1.00 75.00 C ATOM 334 CD GLN A 20 -9.421 12.031 -2.792 1.00 75.00 C ATOM 335 OE1 GLN A 20 -9.747 10.850 -2.647 1.00 75.00 O ATOM 336 NE2 GLN A 20 -10.338 12.991 -2.935 1.00 75.00 N ATOM 0 H GLN A 20 -7.573 11.419 -5.911 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.913 13.062 -5.249 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -6.534 13.871 -3.531 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -8.155 14.507 -3.336 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -7.330 11.592 -3.025 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -7.685 12.704 -1.718 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -10.046 13.961 -3.054 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -11.330 12.754 -2.926 1.00 75.00 H new ATOM 345 N THR A 21 -7.286 14.477 -7.250 1.00 75.00 N ATOM 346 CA THR A 21 -6.914 15.545 -8.175 1.00 75.00 C ATOM 347 C THR A 21 -7.342 15.126 -9.594 1.00 75.00 C ATOM 348 O THR A 21 -7.269 13.938 -9.939 1.00 75.00 O ATOM 349 CB THR A 21 -5.365 15.809 -8.129 1.00 75.00 C ATOM 350 OG1 THR A 21 -4.651 14.571 -8.287 1.00 75.00 O ATOM 351 CG2 THR A 21 -4.912 16.487 -6.821 1.00 75.00 C ATOM 0 H THR A 21 -7.185 13.548 -7.658 1.00 75.00 H new ATOM 0 HA THR A 21 -7.415 16.469 -7.888 1.00 75.00 H new ATOM 0 HB THR A 21 -5.140 16.490 -8.949 1.00 75.00 H new ATOM 0 HG1 THR A 21 -4.022 14.649 -9.035 1.00 75.00 H new ATOM 0 HG21 THR A 21 -3.834 16.644 -6.847 1.00 75.00 H new ATOM 0 HG22 THR A 21 -5.416 17.448 -6.716 1.00 75.00 H new ATOM 0 HG23 THR A 21 -5.166 15.850 -5.974 1.00 75.00 H new ATOM 359 N LYS A 22 -7.808 16.090 -10.398 1.00 75.00 N ATOM 360 CA LYS A 22 -8.325 15.820 -11.752 1.00 75.00 C ATOM 361 C LYS A 22 -7.199 15.798 -12.806 1.00 75.00 C ATOM 362 O LYS A 22 -7.270 15.031 -13.772 1.00 75.00 O ATOM 363 CB LYS A 22 -9.413 16.859 -12.128 1.00 75.00 C ATOM 364 CG LYS A 22 -10.675 16.786 -11.235 1.00 75.00 C ATOM 365 CD LYS A 22 -11.786 17.763 -11.686 1.00 75.00 C ATOM 366 CE LYS A 22 -13.065 17.638 -10.838 1.00 75.00 C ATOM 367 NZ LYS A 22 -13.681 16.286 -10.944 1.00 75.00 N ATOM 0 H LYS A 22 -7.839 17.075 -10.133 1.00 75.00 H new ATOM 0 HA LYS A 22 -8.774 14.827 -11.743 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -8.987 17.860 -12.059 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -9.704 16.707 -13.167 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -11.065 15.768 -11.248 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -10.399 17.008 -10.204 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -11.413 18.785 -11.625 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -12.028 17.574 -12.732 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -12.829 17.847 -9.795 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -13.786 18.390 -11.158 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -14.614 16.292 -10.484 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -13.791 16.032 -11.947 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -13.069 15.588 -10.476 1.00 75.00 H new ATOM 381 N ASN A 23 -6.172 16.653 -12.633 1.00 75.00 N ATOM 382 CA ASN A 23 -5.028 16.754 -13.584 1.00 75.00 C ATOM 383 C ASN A 23 -3.684 16.711 -12.847 1.00 50.00 C ATOM 384 O ASN A 23 -2.682 16.252 -13.417 1.00 50.00 O ATOM 385 CB ASN A 23 -5.117 18.041 -14.449 1.00 50.00 C ATOM 386 CG ASN A 23 -6.301 18.037 -15.415 1.00 75.00 C ATOM 387 OD1 ASN A 23 -7.408 18.445 -15.062 1.00 75.00 O ATOM 388 ND2 ASN A 23 -6.092 17.552 -16.633 1.00 75.00 N ATOM 0 H ASN A 23 -6.104 17.291 -11.840 1.00 75.00 H new ATOM 0 HA ASN A 23 -5.089 15.890 -14.246 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -5.195 18.907 -13.792 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.194 18.154 -15.017 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -6.859 17.510 -17.304 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.164 17.221 -16.898 1.00 75.00 H new ATOM 395 N LEU A 24 -3.650 17.196 -11.586 1.00 10.00 N ATOM 396 CA LEU A 24 -2.412 17.191 -10.775 1.00 50.00 C ATOM 397 C LEU A 24 -1.967 15.745 -10.473 1.00 50.00 C ATOM 398 O LEU A 24 -2.784 14.815 -10.506 1.00 50.00 O ATOM 399 CB LEU A 24 -2.583 17.991 -9.453 1.00 50.00 C ATOM 400 CG LEU A 24 -2.938 19.505 -9.588 1.00 75.00 C ATOM 401 CD1 LEU A 24 -2.980 20.191 -8.204 1.00 75.00 C ATOM 402 CD2 LEU A 24 -1.979 20.233 -10.550 1.00 75.00 C ATOM 0 H LEU A 24 -4.460 17.593 -11.110 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.637 17.685 -11.362 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -3.364 17.510 -8.863 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -1.657 17.909 -8.884 1.00 50.00 H new ATOM 0 HG LEU A 24 -3.936 19.570 -10.022 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -3.230 21.245 -8.328 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -3.735 19.710 -7.582 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -2.005 20.103 -7.724 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -2.259 21.284 -10.617 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -0.958 20.153 -10.176 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -2.040 19.778 -11.538 1.00 75.00 H new ATOM 414 N GLU A 25 -0.673 15.591 -10.180 1.00 50.00 N ATOM 415 CA GLU A 25 -0.021 14.282 -10.003 1.00 10.00 C ATOM 416 C GLU A 25 -0.614 13.489 -8.800 1.00 10.00 C ATOM 417 O GLU A 25 -1.012 14.098 -7.793 1.00 50.00 O ATOM 418 CB GLU A 25 1.503 14.503 -9.817 1.00 50.00 C ATOM 419 CG GLU A 25 2.191 15.182 -11.027 1.00 50.00 C ATOM 420 CD GLU A 25 3.684 15.468 -10.791 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.010 16.504 -10.173 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.538 14.648 -11.189 1.00 75.00 O ATOM 0 H GLU A 25 -0.037 16.379 -10.057 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.205 13.680 -10.893 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.666 15.114 -8.929 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.980 13.540 -9.633 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.084 14.543 -11.904 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.679 16.118 -11.250 1.00 50.00 H new ATOM 429 N PRO A 26 -0.709 12.118 -8.902 1.00 10.00 N ATOM 430 CA PRO A 26 -1.194 11.264 -7.795 1.00 50.00 C ATOM 431 C PRO A 26 -0.185 11.228 -6.615 1.00 10.00 C ATOM 432 O PRO A 26 0.943 10.728 -6.737 1.00 50.00 O ATOM 433 CB PRO A 26 -1.382 9.880 -8.467 1.00 50.00 C ATOM 434 CG PRO A 26 -0.424 9.876 -9.621 1.00 50.00 C ATOM 435 CD PRO A 26 -0.372 11.309 -10.110 1.00 50.00 C ATOM 0 HA PRO A 26 -2.115 11.629 -7.341 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -1.164 9.070 -7.771 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.409 9.742 -8.806 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.562 9.531 -9.311 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.763 9.204 -10.410 1.00 50.00 H new ATOM 0 HD2 PRO A 26 0.615 11.563 -10.497 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -1.085 11.481 -10.917 1.00 50.00 H new ATOM 443 N ARG A 27 -0.625 11.781 -5.482 1.00 10.00 N ATOM 444 CA ARG A 27 0.199 12.031 -4.289 1.00 10.00 C ATOM 445 C ARG A 27 0.085 10.855 -3.300 1.00 10.00 C ATOM 446 O ARG A 27 -1.016 10.454 -2.938 1.00 50.00 O ATOM 447 CB ARG A 27 -0.315 13.341 -3.645 1.00 50.00 C ATOM 448 CG ARG A 27 0.370 13.767 -2.328 1.00 50.00 C ATOM 449 CD ARG A 27 -0.296 15.017 -1.715 1.00 50.00 C ATOM 450 NE ARG A 27 -0.199 16.197 -2.604 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.238 16.914 -3.076 1.00 75.00 C ATOM 452 NH1 ARG A 27 -2.493 16.594 -2.764 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.003 17.951 -3.875 1.00 75.00 N ATOM 0 H ARG A 27 -1.594 12.077 -5.362 1.00 10.00 H new ATOM 0 HA ARG A 27 1.251 12.125 -4.558 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.198 14.148 -4.369 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.383 13.234 -3.457 1.00 50.00 H new ATOM 0 HG2 ARG A 27 0.327 12.945 -1.614 1.00 50.00 H new ATOM 0 HG3 ARG A 27 1.424 13.972 -2.516 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.345 14.804 -1.511 1.00 50.00 H new ATOM 0 HD3 ARG A 27 0.175 15.245 -0.759 1.00 50.00 H new ATOM 0 HE ARG A 27 0.736 16.493 -2.884 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -2.680 15.795 -2.159 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -3.267 17.148 -3.131 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -0.045 18.196 -4.124 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -1.781 18.501 -4.239 1.00 75.00 H new ATOM 467 N TRP A 28 1.229 10.321 -2.854 1.00 10.00 N ATOM 468 CA TRP A 28 1.265 9.234 -1.850 1.00 10.00 C ATOM 469 C TRP A 28 0.977 9.777 -0.447 1.00 10.00 C ATOM 470 O TRP A 28 1.250 10.946 -0.170 1.00 50.00 O ATOM 471 CB TRP A 28 2.645 8.499 -1.864 1.00 50.00 C ATOM 472 CG TRP A 28 3.864 9.403 -1.704 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.648 9.895 -2.708 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.441 9.908 -0.477 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.646 10.675 -2.195 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.546 10.698 -0.836 1.00 50.00 C ATOM 477 CE3 TRP A 28 4.132 9.774 0.886 1.00 50.00 C ATOM 478 CZ2 TRP A 28 6.336 11.349 0.101 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.918 10.420 1.817 1.00 50.00 C ATOM 480 CH2 TRP A 28 6.010 11.201 1.420 1.00 50.00 C ATOM 0 H TRP A 28 2.151 10.622 -3.171 1.00 10.00 H new ATOM 0 HA TRP A 28 0.488 8.517 -2.115 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.653 7.760 -1.063 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.738 7.953 -2.803 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.500 9.696 -3.759 1.00 50.00 H new ATOM 0 HE1 TRP A 28 6.354 11.163 -2.743 1.00 50.00 H new ATOM 0 HE3 TRP A 28 3.291 9.174 1.201 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 7.179 11.952 -0.202 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.688 10.322 2.868 1.00 50.00 H new ATOM 0 HH2 TRP A 28 6.607 11.697 2.171 1.00 50.00 H new ATOM 491 N LYS A 29 0.412 8.930 0.424 1.00 10.00 N ATOM 492 CA LYS A 29 0.435 9.143 1.894 1.00 10.00 C ATOM 493 C LYS A 29 0.644 7.807 2.606 1.00 10.00 C ATOM 494 O LYS A 29 0.482 6.740 2.004 1.00 50.00 O ATOM 495 CB LYS A 29 -0.838 9.865 2.452 1.00 50.00 C ATOM 496 CG LYS A 29 -0.958 11.357 2.059 1.00 50.00 C ATOM 497 CD LYS A 29 -2.029 12.126 2.864 1.00 50.00 C ATOM 498 CE LYS A 29 -3.442 11.542 2.736 1.00 50.00 C ATOM 499 NZ LYS A 29 -3.931 11.544 1.335 1.00 75.00 N ATOM 0 H LYS A 29 -0.074 8.079 0.140 1.00 10.00 H new ATOM 0 HA LYS A 29 1.269 9.815 2.096 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.723 9.337 2.097 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -0.835 9.789 3.539 1.00 50.00 H new ATOM 0 HG2 LYS A 29 0.008 11.840 2.202 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -1.195 11.426 0.997 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -1.743 12.133 3.916 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -2.044 13.164 2.531 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -3.446 10.521 3.118 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.128 12.118 3.358 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -4.889 11.140 1.301 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -3.954 12.520 0.977 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.294 10.973 0.744 1.00 75.00 H new ATOM 513 N GLY A 30 1.020 7.888 3.890 1.00 10.00 N ATOM 514 CA GLY A 30 1.262 6.725 4.719 1.00 10.00 C ATOM 515 C GLY A 30 1.383 7.120 6.200 1.00 10.00 C ATOM 516 O GLY A 30 0.938 8.210 6.579 1.00 50.00 O ATOM 0 H GLY A 30 1.163 8.774 4.375 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.449 6.010 4.595 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.176 6.227 4.396 1.00 10.00 H new ATOM 520 N PRO A 31 1.965 6.250 7.081 1.00 10.00 N ATOM 521 CA PRO A 31 2.450 4.902 6.713 1.00 10.00 C ATOM 522 C PRO A 31 1.333 3.821 6.761 1.00 10.00 C ATOM 523 O PRO A 31 0.758 3.532 7.819 1.00 50.00 O ATOM 524 CB PRO A 31 3.542 4.650 7.778 1.00 50.00 C ATOM 525 CG PRO A 31 3.043 5.359 9.008 1.00 50.00 C ATOM 526 CD PRO A 31 2.217 6.544 8.520 1.00 50.00 C ATOM 0 HA PRO A 31 2.810 4.846 5.686 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.678 3.584 7.962 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.507 5.043 7.458 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.438 4.691 9.622 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.875 5.695 9.627 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.284 6.635 9.077 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.756 7.483 8.646 1.00 50.00 H new ATOM 534 N TYR A 32 1.007 3.269 5.583 1.00 10.00 N ATOM 535 CA TYR A 32 0.145 2.080 5.454 1.00 10.00 C ATOM 536 C TYR A 32 0.944 0.810 5.790 1.00 10.00 C ATOM 537 O TYR A 32 2.175 0.845 5.881 1.00 50.00 O ATOM 538 CB TYR A 32 -0.462 1.998 4.029 1.00 50.00 C ATOM 539 CG TYR A 32 -1.545 3.046 3.731 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.219 4.342 3.327 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.905 2.726 3.845 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.203 5.277 3.054 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.890 3.655 3.571 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.535 4.930 3.174 1.00 50.00 C ATOM 545 OH TYR A 32 -4.515 5.864 2.891 1.00 50.00 O ATOM 0 H TYR A 32 1.334 3.634 4.689 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.679 2.164 6.162 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.341 2.108 3.300 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.888 1.005 3.887 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.180 4.620 3.226 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.189 1.731 4.154 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.930 6.276 2.748 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.932 3.386 3.667 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.399 5.461 3.023 1.00 50.00 H new ATOM 555 N THR A 33 0.227 -0.304 5.977 1.00 10.00 N ATOM 556 CA THR A 33 0.792 -1.545 6.534 1.00 10.00 C ATOM 557 C THR A 33 0.233 -2.793 5.807 1.00 10.00 C ATOM 558 O THR A 33 -0.936 -3.113 5.962 1.00 50.00 O ATOM 559 CB THR A 33 0.445 -1.606 8.068 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.945 -1.295 8.278 1.00 50.00 O ATOM 561 CG2 THR A 33 1.309 -0.650 8.920 1.00 50.00 C ATOM 0 H THR A 33 -0.764 -0.374 5.747 1.00 10.00 H new ATOM 0 HA THR A 33 1.873 -1.543 6.392 1.00 10.00 H new ATOM 0 HB THR A 33 0.661 -2.624 8.391 1.00 50.00 H new ATOM 0 HG1 THR A 33 -1.149 -1.338 9.236 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.023 -0.738 9.968 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.361 -0.913 8.808 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.154 0.376 8.586 1.00 50.00 H new ATOM 569 N VAL A 34 1.086 -3.513 5.042 1.00 10.00 N ATOM 570 CA VAL A 34 0.665 -4.713 4.276 1.00 10.00 C ATOM 571 C VAL A 34 0.685 -5.955 5.178 1.00 10.00 C ATOM 572 O VAL A 34 1.708 -6.256 5.803 1.00 50.00 O ATOM 573 CB VAL A 34 1.577 -4.966 3.010 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.111 -6.206 2.204 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.635 -3.716 2.112 1.00 50.00 C ATOM 0 H VAL A 34 2.074 -3.284 4.938 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.350 -4.526 3.924 1.00 10.00 H new ATOM 0 HB VAL A 34 2.584 -5.172 3.372 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.763 -6.346 1.342 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.155 -7.090 2.839 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.087 -6.055 1.863 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.269 -3.917 1.249 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.630 -3.464 1.773 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.047 -2.880 2.678 1.00 50.00 H new ATOM 585 N LEU A 35 -0.458 -6.658 5.239 1.00 10.00 N ATOM 586 CA LEU A 35 -0.615 -7.902 6.018 1.00 10.00 C ATOM 587 C LEU A 35 -0.478 -9.129 5.097 1.00 10.00 C ATOM 588 O LEU A 35 0.215 -10.106 5.428 1.00 50.00 O ATOM 589 CB LEU A 35 -2.006 -7.915 6.707 1.00 50.00 C ATOM 590 CG LEU A 35 -2.326 -6.712 7.643 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.748 -6.833 8.221 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.275 -6.573 8.764 1.00 50.00 C ATOM 0 H LEU A 35 -1.306 -6.379 4.746 1.00 10.00 H new ATOM 0 HA LEU A 35 0.166 -7.944 6.778 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.771 -7.958 5.932 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.091 -8.833 7.289 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.282 -5.802 7.044 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.950 -5.982 8.872 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.472 -6.847 7.406 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.830 -7.756 8.795 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.530 -5.724 9.398 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.261 -7.483 9.364 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.291 -6.414 8.323 1.00 50.00 H new ATOM 604 N LEU A 36 -1.157 -9.059 3.934 1.00 10.00 N ATOM 605 CA LEU A 36 -1.259 -10.186 2.982 1.00 10.00 C ATOM 606 C LEU A 36 -0.959 -9.686 1.563 1.00 10.00 C ATOM 607 O LEU A 36 -1.134 -8.505 1.270 1.00 50.00 O ATOM 608 CB LEU A 36 -2.687 -10.811 3.069 1.00 50.00 C ATOM 609 CG LEU A 36 -2.956 -12.097 2.212 1.00 50.00 C ATOM 610 CD1 LEU A 36 -2.062 -13.268 2.662 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.451 -12.491 2.250 1.00 50.00 C ATOM 0 H LEU A 36 -1.650 -8.220 3.628 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.531 -10.957 3.235 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.888 -11.052 4.113 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.408 -10.050 2.773 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.699 -11.863 1.179 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.273 -14.144 2.048 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -1.014 -12.990 2.549 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.265 -13.500 3.707 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.607 -13.386 1.647 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.749 -12.691 3.279 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -5.053 -11.675 1.850 1.00 50.00 H new ATOM 623 N THR A 37 -0.479 -10.581 0.688 1.00 10.00 N ATOM 624 CA THR A 37 -0.209 -10.261 -0.729 1.00 10.00 C ATOM 625 C THR A 37 -0.950 -11.253 -1.644 1.00 10.00 C ATOM 626 O THR A 37 -1.151 -12.416 -1.280 1.00 50.00 O ATOM 627 CB THR A 37 1.324 -10.305 -1.059 1.00 50.00 C ATOM 628 OG1 THR A 37 1.829 -11.638 -0.910 1.00 50.00 O ATOM 629 CG2 THR A 37 2.146 -9.353 -0.165 1.00 50.00 C ATOM 0 H THR A 37 -0.266 -11.547 0.938 1.00 10.00 H new ATOM 0 HA THR A 37 -0.566 -9.246 -0.905 1.00 10.00 H new ATOM 0 HB THR A 37 1.431 -9.975 -2.092 1.00 50.00 H new ATOM 0 HG1 THR A 37 1.473 -12.032 -0.086 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.200 -9.421 -0.434 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.800 -8.329 -0.309 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.019 -9.635 0.880 1.00 50.00 H new ATOM 637 N THR A 38 -1.351 -10.773 -2.828 1.00 10.00 N ATOM 638 CA THR A 38 -1.986 -11.567 -3.904 1.00 10.00 C ATOM 639 C THR A 38 -1.403 -11.079 -5.267 1.00 10.00 C ATOM 640 O THR A 38 -0.731 -10.031 -5.289 1.00 50.00 O ATOM 641 CB THR A 38 -3.566 -11.433 -3.866 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.959 -10.062 -3.889 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.193 -12.114 -2.631 1.00 50.00 C ATOM 0 H THR A 38 -1.242 -9.790 -3.078 1.00 10.00 H new ATOM 0 HA THR A 38 -1.766 -12.626 -3.765 1.00 10.00 H new ATOM 0 HB THR A 38 -3.934 -11.943 -4.756 1.00 50.00 H new ATOM 0 HG1 THR A 38 -3.162 -9.493 -3.862 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.276 -11.990 -2.658 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.949 -13.176 -2.638 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.798 -11.657 -1.724 1.00 50.00 H new ATOM 651 N PRO A 39 -1.593 -11.830 -6.415 1.00 10.00 N ATOM 652 CA PRO A 39 -1.048 -11.420 -7.743 1.00 10.00 C ATOM 653 C PRO A 39 -1.426 -9.962 -8.131 1.00 10.00 C ATOM 654 O PRO A 39 -2.599 -9.658 -8.386 1.00 50.00 O ATOM 655 CB PRO A 39 -1.663 -12.460 -8.737 1.00 50.00 C ATOM 656 CG PRO A 39 -2.743 -13.164 -7.966 1.00 50.00 C ATOM 657 CD PRO A 39 -2.285 -13.141 -6.525 1.00 50.00 C ATOM 0 HA PRO A 39 0.042 -11.418 -7.748 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.070 -11.966 -9.620 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.907 -13.164 -9.085 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -3.702 -12.659 -8.082 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -2.876 -14.186 -8.320 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -3.124 -13.214 -5.834 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.615 -13.971 -6.301 1.00 50.00 H new ATOM 665 N THR A 40 -0.403 -9.074 -8.085 1.00 10.00 N ATOM 666 CA THR A 40 -0.473 -7.657 -8.514 1.00 10.00 C ATOM 667 C THR A 40 -1.456 -6.816 -7.644 1.00 10.00 C ATOM 668 O THR A 40 -1.896 -5.726 -8.042 1.00 50.00 O ATOM 669 CB THR A 40 -0.806 -7.549 -10.056 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.144 -8.621 -10.767 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.346 -6.210 -10.667 1.00 50.00 C ATOM 0 H THR A 40 0.521 -9.332 -7.738 1.00 10.00 H new ATOM 0 HA THR A 40 0.515 -7.224 -8.355 1.00 10.00 H new ATOM 0 HB THR A 40 -1.890 -7.615 -10.154 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.351 -8.556 -11.723 1.00 50.00 H new ATOM 0 HG21 THR A 40 -0.599 -6.188 -11.727 1.00 50.00 H new ATOM 0 HG22 THR A 40 -0.846 -5.387 -10.157 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.733 -6.108 -10.549 1.00 50.00 H new ATOM 679 N ALA A 41 -1.751 -7.307 -6.427 1.00 10.00 N ATOM 680 CA ALA A 41 -2.647 -6.621 -5.473 1.00 10.00 C ATOM 681 C ALA A 41 -2.241 -6.994 -4.045 1.00 10.00 C ATOM 682 O ALA A 41 -2.056 -8.162 -3.747 1.00 50.00 O ATOM 683 CB ALA A 41 -4.118 -6.997 -5.747 1.00 50.00 C ATOM 0 H ALA A 41 -1.377 -8.189 -6.076 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.554 -5.542 -5.597 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.764 -6.483 -5.035 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.387 -6.700 -6.761 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.244 -8.074 -5.639 1.00 50.00 H new ATOM 689 N LEU A 42 -2.056 -6.003 -3.169 1.00 10.00 N ATOM 690 CA LEU A 42 -1.603 -6.236 -1.783 1.00 10.00 C ATOM 691 C LEU A 42 -2.720 -5.879 -0.801 1.00 10.00 C ATOM 692 O LEU A 42 -3.289 -4.788 -0.889 1.00 50.00 O ATOM 693 CB LEU A 42 -0.335 -5.388 -1.474 1.00 50.00 C ATOM 694 CG LEU A 42 0.832 -5.487 -2.506 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.058 -4.693 -2.033 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.210 -6.945 -2.815 1.00 50.00 C ATOM 0 H LEU A 42 -2.213 -5.020 -3.392 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.352 -7.291 -1.672 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.634 -4.343 -1.395 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.046 -5.686 -0.497 1.00 50.00 H new ATOM 0 HG LEU A 42 0.473 -5.043 -3.434 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.855 -4.780 -2.771 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.788 -3.644 -1.913 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.403 -5.091 -1.078 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.026 -6.964 -3.537 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.526 -7.441 -1.897 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.346 -7.465 -3.229 1.00 50.00 H new ATOM 708 N LYS A 43 -3.021 -6.778 0.150 1.00 10.00 N ATOM 709 CA LYS A 43 -4.003 -6.493 1.197 1.00 10.00 C ATOM 710 C LYS A 43 -3.306 -5.745 2.340 1.00 10.00 C ATOM 711 O LYS A 43 -2.479 -6.313 3.079 1.00 50.00 O ATOM 712 CB LYS A 43 -4.685 -7.774 1.743 1.00 50.00 C ATOM 713 CG LYS A 43 -5.707 -7.471 2.868 1.00 50.00 C ATOM 714 CD LYS A 43 -6.452 -8.717 3.386 1.00 50.00 C ATOM 715 CE LYS A 43 -7.543 -8.345 4.400 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.330 -9.522 4.857 1.00 75.00 N ATOM 0 H LYS A 43 -2.598 -7.704 0.212 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.791 -5.881 0.758 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.191 -8.288 0.926 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.922 -8.453 2.123 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.186 -6.998 3.701 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.437 -6.751 2.498 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.901 -9.248 2.547 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.740 -9.399 3.851 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.082 -7.864 5.263 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.217 -7.615 3.951 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -9.052 -9.213 5.539 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.794 -9.968 4.040 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.695 -10.209 5.311 1.00 75.00 H new ATOM 730 N VAL A 44 -3.655 -4.459 2.440 1.00 10.00 N ATOM 731 CA VAL A 44 -3.195 -3.547 3.487 1.00 10.00 C ATOM 732 C VAL A 44 -4.266 -3.464 4.598 1.00 10.00 C ATOM 733 O VAL A 44 -5.465 -3.622 4.326 1.00 50.00 O ATOM 734 CB VAL A 44 -2.916 -2.126 2.859 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.481 -1.090 3.911 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.884 -2.216 1.707 1.00 50.00 C ATOM 0 H VAL A 44 -4.285 -4.012 1.773 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.268 -3.916 3.927 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.862 -1.776 2.445 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.302 -0.131 3.425 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.267 -0.977 4.658 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.565 -1.427 4.397 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.712 -1.222 1.294 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.946 -2.617 2.090 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.267 -2.872 0.926 1.00 50.00 H new ATOM 746 N ASP A 45 -3.820 -3.244 5.840 1.00 10.00 N ATOM 747 CA ASP A 45 -4.696 -3.086 7.009 1.00 10.00 C ATOM 748 C ASP A 45 -5.518 -1.785 6.912 1.00 10.00 C ATOM 749 O ASP A 45 -4.962 -0.709 6.641 1.00 50.00 O ATOM 750 CB ASP A 45 -3.825 -3.091 8.288 1.00 50.00 C ATOM 751 CG ASP A 45 -4.624 -2.963 9.597 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.367 -3.914 9.941 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.476 -1.942 10.308 1.00 50.00 O ATOM 0 H ASP A 45 -2.828 -3.170 6.065 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.403 -3.914 7.045 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.248 -4.015 8.317 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.110 -2.270 8.230 1.00 50.00 H new ATOM 758 N GLY A 46 -6.843 -1.906 7.118 1.00 10.00 N ATOM 759 CA GLY A 46 -7.769 -0.774 7.041 1.00 10.00 C ATOM 760 C GLY A 46 -8.424 -0.635 5.675 1.00 10.00 C ATOM 761 O GLY A 46 -9.316 0.200 5.498 1.00 50.00 O ATOM 0 H GLY A 46 -7.295 -2.792 7.342 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.543 -0.893 7.799 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.232 0.145 7.276 1.00 10.00 H new ATOM 765 N ILE A 47 -7.969 -1.442 4.705 1.00 10.00 N ATOM 766 CA ILE A 47 -8.482 -1.430 3.324 1.00 10.00 C ATOM 767 C ILE A 47 -9.649 -2.427 3.185 1.00 10.00 C ATOM 768 O ILE A 47 -9.682 -3.443 3.895 1.00 50.00 O ATOM 769 CB ILE A 47 -7.317 -1.774 2.317 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.172 -0.727 2.454 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.795 -1.889 0.850 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.564 0.710 2.179 1.00 50.00 C ATOM 0 H ILE A 47 -7.229 -2.127 4.857 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.857 -0.435 3.086 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.939 -2.761 2.585 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.767 -0.788 3.464 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.368 -1.003 1.772 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.947 -2.127 0.208 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.542 -2.679 0.772 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.234 -0.942 0.535 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.694 1.355 2.302 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.938 0.796 1.159 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.343 1.015 2.878 1.00 50.00 H new ATOM 784 N ALA A 48 -10.599 -2.110 2.270 1.00 10.00 N ATOM 785 CA ALA A 48 -11.803 -2.922 2.019 1.00 10.00 C ATOM 786 C ALA A 48 -11.447 -4.370 1.638 1.00 10.00 C ATOM 787 O ALA A 48 -12.032 -5.316 2.177 1.00 50.00 O ATOM 788 CB ALA A 48 -12.673 -2.264 0.929 1.00 50.00 C ATOM 0 H ALA A 48 -10.545 -1.277 1.685 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.375 -2.966 2.946 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.559 -2.874 0.753 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.976 -1.270 1.257 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.100 -2.183 0.006 1.00 50.00 H new ATOM 794 N ALA A 49 -10.483 -4.534 0.705 1.00 10.00 N ATOM 795 CA ALA A 49 -9.968 -5.865 0.329 1.00 10.00 C ATOM 796 C ALA A 49 -8.499 -5.807 -0.141 1.00 10.00 C ATOM 797 O ALA A 49 -7.630 -6.462 0.443 1.00 50.00 O ATOM 798 CB ALA A 49 -10.871 -6.486 -0.754 1.00 50.00 C ATOM 0 H ALA A 49 -10.048 -3.761 0.201 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.988 -6.497 1.217 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.487 -7.468 -1.028 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.885 -6.588 -0.368 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.881 -5.842 -1.633 1.00 50.00 H new ATOM 804 N TRP A 50 -8.217 -5.012 -1.195 1.00 10.00 N ATOM 805 CA TRP A 50 -6.860 -4.920 -1.797 1.00 10.00 C ATOM 806 C TRP A 50 -6.536 -3.489 -2.260 1.00 10.00 C ATOM 807 O TRP A 50 -7.437 -2.685 -2.518 1.00 50.00 O ATOM 808 CB TRP A 50 -6.701 -5.882 -3.016 1.00 50.00 C ATOM 809 CG TRP A 50 -6.794 -7.362 -2.696 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.818 -8.143 -2.140 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.904 -8.244 -2.960 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.263 -9.437 -2.020 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.534 -9.526 -2.519 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.177 -8.069 -3.519 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.384 -10.626 -2.618 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.020 -9.159 -3.618 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.621 -10.424 -3.169 1.00 50.00 C ATOM 0 H TRP A 50 -8.911 -4.420 -1.652 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.164 -5.212 -1.011 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.468 -5.638 -3.752 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.736 -5.689 -3.485 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.841 -7.794 -1.840 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.730 -10.210 -1.622 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.494 -7.097 -3.867 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.078 -11.602 -2.273 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.002 -9.034 -4.049 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.303 -11.257 -3.259 1.00 50.00 H new ATOM 828 N ILE A 51 -5.227 -3.205 -2.355 1.00 10.00 N ATOM 829 CA ILE A 51 -4.663 -2.040 -3.052 1.00 10.00 C ATOM 830 C ILE A 51 -3.731 -2.573 -4.158 1.00 10.00 C ATOM 831 O ILE A 51 -2.743 -3.250 -3.864 1.00 50.00 O ATOM 832 CB ILE A 51 -3.866 -1.084 -2.072 1.00 50.00 C ATOM 833 CG1 ILE A 51 -4.809 -0.441 -1.009 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.095 0.014 -2.845 1.00 50.00 C ATOM 835 CD1 ILE A 51 -5.884 0.468 -1.580 1.00 50.00 C ATOM 0 H ILE A 51 -4.511 -3.798 -1.936 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.472 -1.442 -3.471 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.137 -1.703 -1.550 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.290 -1.237 -0.441 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.204 0.132 -0.306 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.561 0.650 -2.139 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.382 -0.452 -3.525 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -3.799 0.619 -3.417 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.491 0.869 -0.768 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.416 1.289 -2.123 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.518 -0.101 -2.260 1.00 50.00 H new ATOM 847 N HIS A 52 -4.058 -2.261 -5.419 1.00 10.00 N ATOM 848 CA HIS A 52 -3.369 -2.809 -6.603 1.00 10.00 C ATOM 849 C HIS A 52 -1.920 -2.238 -6.665 1.00 10.00 C ATOM 850 O HIS A 52 -1.683 -1.110 -6.216 1.00 50.00 O ATOM 851 CB HIS A 52 -4.203 -2.461 -7.868 1.00 50.00 C ATOM 852 CG HIS A 52 -3.866 -3.231 -9.118 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.825 -2.926 -9.963 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.494 -4.289 -9.681 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.835 -3.763 -10.981 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.836 -4.596 -10.831 1.00 50.00 N ATOM 0 H HIS A 52 -4.814 -1.616 -5.652 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.286 -3.894 -6.545 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.256 -2.623 -7.639 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.082 -1.398 -8.077 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.362 -4.798 -9.288 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -2.134 -3.763 -11.803 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -4.081 -5.351 -11.472 1.00 50.00 H new ATOM 865 N ALA A 53 -1.001 -3.019 -7.266 1.00 10.00 N ATOM 866 CA ALA A 53 0.473 -2.877 -7.109 1.00 10.00 C ATOM 867 C ALA A 53 1.043 -1.456 -7.342 1.00 10.00 C ATOM 868 O ALA A 53 1.892 -1.011 -6.573 1.00 50.00 O ATOM 869 CB ALA A 53 1.188 -3.894 -8.020 1.00 50.00 C ATOM 0 H ALA A 53 -1.261 -3.784 -7.889 1.00 10.00 H new ATOM 0 HA ALA A 53 0.669 -3.079 -6.056 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.267 -3.790 -7.905 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.889 -4.905 -7.742 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.914 -3.708 -9.058 1.00 50.00 H new ATOM 875 N ALA A 54 0.576 -0.761 -8.391 1.00 10.00 N ATOM 876 CA ALA A 54 1.128 0.560 -8.790 1.00 10.00 C ATOM 877 C ALA A 54 0.707 1.688 -7.829 1.00 10.00 C ATOM 878 O ALA A 54 1.342 2.751 -7.790 1.00 50.00 O ATOM 879 CB ALA A 54 0.730 0.884 -10.234 1.00 50.00 C ATOM 0 H ALA A 54 -0.186 -1.087 -8.986 1.00 10.00 H new ATOM 0 HA ALA A 54 2.214 0.494 -8.730 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.140 1.854 -10.515 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.123 0.117 -10.901 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.357 0.912 -10.314 1.00 50.00 H new ATOM 885 N HIS A 55 -0.370 1.454 -7.060 1.00 10.00 N ATOM 886 CA HIS A 55 -0.792 2.368 -5.974 1.00 10.00 C ATOM 887 C HIS A 55 0.070 2.147 -4.721 1.00 10.00 C ATOM 888 O HIS A 55 0.059 2.976 -3.821 1.00 50.00 O ATOM 889 CB HIS A 55 -2.287 2.172 -5.618 1.00 50.00 C ATOM 890 CG HIS A 55 -3.259 2.673 -6.649 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.635 3.992 -6.745 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.901 2.035 -7.650 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.472 4.138 -7.745 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.649 2.967 -8.313 1.00 50.00 N ATOM 0 H HIS A 55 -0.970 0.636 -7.168 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.655 3.388 -6.332 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.469 1.110 -5.455 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.489 2.678 -4.674 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -3.313 4.742 -6.133 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.836 0.983 -7.884 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.937 5.064 -8.049 1.00 50.00 H new ATOM 903 N VAL A 56 0.809 1.030 -4.662 1.00 10.00 N ATOM 904 CA VAL A 56 1.675 0.707 -3.514 1.00 10.00 C ATOM 905 C VAL A 56 3.134 1.079 -3.832 1.00 10.00 C ATOM 906 O VAL A 56 3.623 0.847 -4.946 1.00 50.00 O ATOM 907 CB VAL A 56 1.620 -0.820 -3.144 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.441 -1.109 -1.868 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.169 -1.316 -2.987 1.00 50.00 C ATOM 0 H VAL A 56 0.825 0.328 -5.402 1.00 10.00 H new ATOM 0 HA VAL A 56 1.307 1.284 -2.666 1.00 10.00 H new ATOM 0 HB VAL A 56 2.067 -1.372 -3.971 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.387 -2.172 -1.633 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.481 -0.826 -2.033 1.00 50.00 H new ATOM 0 HG13 VAL A 56 2.036 -0.533 -1.036 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.172 -2.376 -2.731 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.324 -0.753 -2.195 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.369 -1.171 -3.924 1.00 50.00 H new ATOM 919 N LYS A 57 3.812 1.675 -2.843 1.00 10.00 N ATOM 920 CA LYS A 57 5.263 1.911 -2.856 1.00 10.00 C ATOM 921 C LYS A 57 5.818 1.549 -1.479 1.00 10.00 C ATOM 922 O LYS A 57 5.203 1.893 -0.481 1.00 50.00 O ATOM 923 CB LYS A 57 5.592 3.391 -3.161 1.00 50.00 C ATOM 924 CG LYS A 57 5.129 3.895 -4.543 1.00 50.00 C ATOM 925 CD LYS A 57 5.613 5.339 -4.830 1.00 50.00 C ATOM 926 CE LYS A 57 7.147 5.453 -4.818 1.00 50.00 C ATOM 927 NZ LYS A 57 7.607 6.844 -5.066 1.00 75.00 N ATOM 0 H LYS A 57 3.359 2.014 -1.994 1.00 10.00 H new ATOM 0 HA LYS A 57 5.713 1.298 -3.637 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.134 4.014 -2.393 1.00 50.00 H new ATOM 0 HB3 LYS A 57 6.670 3.530 -3.084 1.00 50.00 H new ATOM 0 HG2 LYS A 57 5.506 3.226 -5.317 1.00 50.00 H new ATOM 0 HG3 LYS A 57 4.041 3.861 -4.595 1.00 50.00 H new ATOM 0 HD2 LYS A 57 5.234 5.661 -5.800 1.00 50.00 H new ATOM 0 HD3 LYS A 57 5.195 6.015 -4.084 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.528 5.112 -3.855 1.00 50.00 H new ATOM 0 HE3 LYS A 57 7.565 4.793 -5.578 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.646 6.874 -5.049 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.266 7.162 -5.996 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.230 7.471 -4.327 1.00 75.00 H new ATOM 941 N ALA A 58 6.965 0.867 -1.434 1.00 10.00 N ATOM 942 CA ALA A 58 7.660 0.554 -0.173 1.00 10.00 C ATOM 943 C ALA A 58 8.124 1.854 0.527 1.00 10.00 C ATOM 944 O ALA A 58 8.637 2.772 -0.126 1.00 50.00 O ATOM 945 CB ALA A 58 8.846 -0.386 -0.436 1.00 50.00 C ATOM 0 H ALA A 58 7.441 0.515 -2.265 1.00 10.00 H new ATOM 0 HA ALA A 58 6.964 0.044 0.493 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.350 -0.608 0.505 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.484 -1.313 -0.882 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.547 0.095 -1.118 1.00 50.00 H new ATOM 951 N ALA A 59 7.922 1.912 1.851 1.00 10.00 N ATOM 952 CA ALA A 59 8.204 3.100 2.680 1.00 10.00 C ATOM 953 C ALA A 59 9.194 2.761 3.802 1.00 10.00 C ATOM 954 O ALA A 59 9.360 1.592 4.177 1.00 50.00 O ATOM 955 CB ALA A 59 6.898 3.657 3.258 1.00 50.00 C ATOM 0 H ALA A 59 7.553 1.126 2.387 1.00 10.00 H new ATOM 0 HA ALA A 59 8.662 3.863 2.051 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.115 4.534 3.869 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.230 3.938 2.444 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.419 2.896 3.874 1.00 50.00 H new ATOM 961 N ASP A 60 9.858 3.805 4.319 1.00 10.00 N ATOM 962 CA ASP A 60 10.876 3.694 5.369 1.00 10.00 C ATOM 963 C ASP A 60 10.225 3.902 6.755 1.00 50.00 C ATOM 964 O ASP A 60 9.750 5.002 7.041 1.00 50.00 O ATOM 965 CB ASP A 60 11.997 4.748 5.106 1.00 50.00 C ATOM 966 CG ASP A 60 13.240 4.638 6.018 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.322 3.730 6.879 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.153 5.478 5.879 1.00 75.00 O ATOM 0 H ASP A 60 9.699 4.765 4.013 1.00 10.00 H new ATOM 0 HA ASP A 60 11.322 2.700 5.355 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.320 4.658 4.069 1.00 50.00 H new ATOM 0 HB3 ASP A 60 11.570 5.744 5.222 1.00 50.00 H new ATOM 973 N PRO A 61 10.161 2.842 7.626 1.00 50.00 N ATOM 974 CA PRO A 61 9.657 2.979 9.016 1.00 50.00 C ATOM 975 C PRO A 61 10.729 3.470 10.022 1.00 50.00 C ATOM 976 O PRO A 61 10.385 3.886 11.134 1.00 75.00 O ATOM 977 CB PRO A 61 9.206 1.540 9.347 1.00 75.00 C ATOM 978 CG PRO A 61 10.158 0.659 8.584 1.00 75.00 C ATOM 979 CD PRO A 61 10.518 1.422 7.316 1.00 50.00 C ATOM 0 HA PRO A 61 8.872 3.731 9.093 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.257 1.345 10.418 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.174 1.368 9.041 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.048 0.444 9.175 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.695 -0.298 8.344 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.577 1.321 7.078 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.961 1.050 6.456 1.00 50.00 H new ATOM 987 N GLY A 62 12.019 3.409 9.617 1.00 50.00 N ATOM 988 CA GLY A 62 13.149 3.692 10.514 1.00 50.00 C ATOM 989 C GLY A 62 13.233 2.693 11.670 1.00 75.00 C ATOM 990 O GLY A 62 13.567 3.064 12.803 1.00 75.00 O ATOM 0 H GLY A 62 12.298 3.164 8.667 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.078 3.665 9.945 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.049 4.701 10.914 1.00 50.00 H new ATOM 994 N GLY A 63 12.926 1.417 11.361 1.00 75.00 N ATOM 995 CA GLY A 63 12.823 0.351 12.360 1.00 75.00 C ATOM 996 C GLY A 63 11.363 0.058 12.695 1.00 75.00 C ATOM 997 O GLY A 63 10.624 -0.435 11.835 1.00 75.00 O ATOM 0 H GLY A 63 12.743 1.103 10.408 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.302 -0.553 11.984 1.00 75.00 H new ATOM 0 HA3 GLY A 63 13.357 0.642 13.265 1.00 75.00 H new ATOM 1001 N GLY A 64 10.958 0.384 13.936 1.00 75.00 N ATOM 1002 CA GLY A 64 9.571 0.230 14.399 1.00 75.00 C ATOM 1003 C GLY A 64 9.081 -1.231 14.462 1.00 75.00 C ATOM 1004 O GLY A 64 8.183 -1.608 13.693 1.00 75.00 O ATOM 0 H GLY A 64 11.586 0.762 14.645 1.00 75.00 H new ATOM 0 HA2 GLY A 64 9.480 0.674 15.390 1.00 75.00 H new ATOM 0 HA3 GLY A 64 8.914 0.793 13.736 1.00 75.00 H new ATOM 1008 N PRO A 65 9.663 -2.104 15.361 1.00 75.00 N ATOM 1009 CA PRO A 65 9.212 -3.502 15.564 1.00 75.00 C ATOM 1010 C PRO A 65 8.273 -3.661 16.792 1.00 75.00 C ATOM 1011 O PRO A 65 8.194 -4.734 17.384 1.00 75.00 O ATOM 1012 CB PRO A 65 10.576 -4.206 15.786 1.00 75.00 C ATOM 1013 CG PRO A 65 11.413 -3.206 16.552 1.00 75.00 C ATOM 1014 CD PRO A 65 10.843 -1.821 16.233 1.00 75.00 C ATOM 0 HA PRO A 65 8.615 -3.900 14.743 1.00 75.00 H new ATOM 0 HB2 PRO A 65 10.455 -5.132 16.348 1.00 75.00 H new ATOM 0 HB3 PRO A 65 11.044 -4.468 14.837 1.00 75.00 H new ATOM 0 HG2 PRO A 65 11.370 -3.405 17.623 1.00 75.00 H new ATOM 0 HG3 PRO A 65 12.460 -3.271 16.257 1.00 75.00 H new ATOM 0 HD2 PRO A 65 10.551 -1.292 17.140 1.00 75.00 H new ATOM 0 HD3 PRO A 65 11.576 -1.197 15.722 1.00 75.00 H new ATOM 1022 N SER A 66 7.526 -2.591 17.118 1.00 75.00 N ATOM 1023 CA SER A 66 6.753 -2.486 18.375 1.00 75.00 C ATOM 1024 C SER A 66 5.626 -3.542 18.492 1.00 75.00 C ATOM 1025 O SER A 66 5.304 -3.985 19.600 1.00 75.00 O ATOM 1026 CB SER A 66 6.159 -1.065 18.504 1.00 75.00 C ATOM 1027 OG SER A 66 5.311 -0.761 17.413 1.00 75.00 O ATOM 0 H SER A 66 7.439 -1.771 16.518 1.00 75.00 H new ATOM 0 HA SER A 66 7.449 -2.683 19.190 1.00 75.00 H new ATOM 0 HB2 SER A 66 5.599 -0.986 19.436 1.00 75.00 H new ATOM 0 HB3 SER A 66 6.966 -0.334 18.554 1.00 75.00 H new ATOM 0 HG SER A 66 4.949 0.143 17.522 1.00 75.00 H new ATOM 1033 N SER A 67 5.051 -3.960 17.346 1.00 75.00 N ATOM 1034 CA SER A 67 3.839 -4.808 17.325 1.00 75.00 C ATOM 1035 C SER A 67 3.797 -5.741 16.093 1.00 75.00 C ATOM 1036 O SER A 67 3.115 -6.775 16.115 1.00 75.00 O ATOM 1037 CB SER A 67 2.586 -3.897 17.363 1.00 75.00 C ATOM 1038 OG SER A 67 1.364 -4.636 17.328 1.00 75.00 O ATOM 0 H SER A 67 5.407 -3.724 16.420 1.00 75.00 H new ATOM 0 HA SER A 67 3.858 -5.454 18.203 1.00 75.00 H new ATOM 0 HB2 SER A 67 2.612 -3.289 18.267 1.00 75.00 H new ATOM 0 HB3 SER A 67 2.615 -3.211 16.516 1.00 75.00 H new ATOM 0 HG SER A 67 0.606 -4.016 17.356 1.00 75.00 H new ATOM 1044 N ARG A 68 4.539 -5.379 15.026 1.00 75.00 N ATOM 1045 CA ARG A 68 4.529 -6.128 13.747 1.00 75.00 C ATOM 1046 C ARG A 68 5.219 -7.502 13.849 1.00 75.00 C ATOM 1047 O ARG A 68 5.093 -8.323 12.940 1.00 75.00 O ATOM 1048 CB ARG A 68 5.179 -5.273 12.625 1.00 75.00 C ATOM 1049 CG ARG A 68 4.397 -3.983 12.316 1.00 75.00 C ATOM 1050 CD ARG A 68 4.994 -3.185 11.153 1.00 75.00 C ATOM 1051 NE ARG A 68 6.343 -2.650 11.411 1.00 75.00 N ATOM 1052 CZ ARG A 68 7.203 -2.256 10.451 1.00 75.00 C ATOM 1053 NH1 ARG A 68 6.868 -2.343 9.154 1.00 75.00 N ATOM 1054 NH2 ARG A 68 8.379 -1.744 10.790 1.00 75.00 N ATOM 0 H ARG A 68 5.157 -4.568 15.023 1.00 75.00 H new ATOM 0 HA ARG A 68 3.486 -6.324 13.500 1.00 75.00 H new ATOM 0 HB2 ARG A 68 6.196 -5.012 12.919 1.00 75.00 H new ATOM 0 HB3 ARG A 68 5.253 -5.872 11.717 1.00 75.00 H new ATOM 0 HG2 ARG A 68 3.364 -4.239 12.081 1.00 75.00 H new ATOM 0 HG3 ARG A 68 4.376 -3.355 13.207 1.00 75.00 H new ATOM 0 HD2 ARG A 68 5.033 -3.825 10.271 1.00 75.00 H new ATOM 0 HD3 ARG A 68 4.327 -2.356 10.917 1.00 75.00 H new ATOM 0 HE ARG A 68 6.646 -2.573 12.382 1.00 75.00 H new ATOM 0 HH11 ARG A 68 5.955 -2.710 8.887 1.00 75.00 H new ATOM 0 HH12 ARG A 68 7.527 -2.042 8.436 1.00 75.00 H new ATOM 0 HH21 ARG A 68 8.630 -1.650 11.774 1.00 75.00 H new ATOM 0 HH22 ARG A 68 9.033 -1.445 10.066 1.00 75.00 H new ATOM 1068 N LEU A 69 5.898 -7.755 14.987 1.00 75.00 N ATOM 1069 CA LEU A 69 6.613 -9.021 15.247 1.00 75.00 C ATOM 1070 C LEU A 69 5.647 -10.185 15.545 1.00 75.00 C ATOM 1071 O LEU A 69 6.086 -11.323 15.716 1.00 75.00 O ATOM 1072 CB LEU A 69 7.607 -8.836 16.422 1.00 75.00 C ATOM 1073 CG LEU A 69 8.647 -7.690 16.265 1.00 75.00 C ATOM 1074 CD1 LEU A 69 9.588 -7.624 17.485 1.00 75.00 C ATOM 1075 CD2 LEU A 69 9.437 -7.814 14.948 1.00 75.00 C ATOM 0 H LEU A 69 5.966 -7.085 15.753 1.00 75.00 H new ATOM 0 HA LEU A 69 7.161 -9.280 14.341 1.00 75.00 H new ATOM 0 HB2 LEU A 69 7.034 -8.657 17.331 1.00 75.00 H new ATOM 0 HB3 LEU A 69 8.147 -9.772 16.565 1.00 75.00 H new ATOM 0 HG LEU A 69 8.096 -6.751 16.220 1.00 75.00 H new ATOM 0 HD11 LEU A 69 10.305 -6.814 17.348 1.00 75.00 H new ATOM 0 HD12 LEU A 69 9.003 -7.442 18.386 1.00 75.00 H new ATOM 0 HD13 LEU A 69 10.123 -8.569 17.584 1.00 75.00 H new ATOM 0 HD21 LEU A 69 10.153 -6.996 14.875 1.00 75.00 H new ATOM 0 HD22 LEU A 69 9.970 -8.765 14.931 1.00 75.00 H new ATOM 0 HD23 LEU A 69 8.748 -7.769 14.105 1.00 75.00 H new ATOM 1087 N THR A 70 4.338 -9.884 15.622 1.00 75.00 N ATOM 1088 CA THR A 70 3.292 -10.901 15.760 1.00 75.00 C ATOM 1089 C THR A 70 3.256 -11.801 14.504 1.00 75.00 C ATOM 1090 O THR A 70 3.200 -13.032 14.618 1.00 75.00 O ATOM 1091 CB THR A 70 1.896 -10.236 15.993 1.00 75.00 C ATOM 1092 OG1 THR A 70 1.973 -9.317 17.095 1.00 75.00 O ATOM 1093 CG2 THR A 70 0.790 -11.278 16.273 1.00 75.00 C ATOM 0 H THR A 70 3.981 -8.929 15.590 1.00 75.00 H new ATOM 0 HA THR A 70 3.524 -11.517 16.629 1.00 75.00 H new ATOM 0 HB THR A 70 1.632 -9.708 15.077 1.00 75.00 H new ATOM 0 HG1 THR A 70 2.381 -8.479 16.794 1.00 75.00 H new ATOM 0 HG21 THR A 70 -0.160 -10.767 16.428 1.00 75.00 H new ATOM 0 HG22 THR A 70 0.704 -11.955 15.423 1.00 75.00 H new ATOM 0 HG23 THR A 70 1.045 -11.848 17.166 1.00 75.00 H new ATOM 1101 N TRP A 71 3.314 -11.152 13.315 1.00 75.00 N ATOM 1102 CA TRP A 71 3.305 -11.827 11.999 1.00 75.00 C ATOM 1103 C TRP A 71 2.155 -12.846 11.879 1.00 75.00 C ATOM 1104 O TRP A 71 2.317 -13.908 11.283 1.00 75.00 O ATOM 1105 CB TRP A 71 4.683 -12.467 11.709 1.00 75.00 C ATOM 1106 CG TRP A 71 5.821 -11.476 11.547 1.00 75.00 C ATOM 1107 CD1 TRP A 71 5.857 -10.387 10.714 1.00 75.00 C ATOM 1108 CD2 TRP A 71 7.104 -11.521 12.195 1.00 75.00 C ATOM 1109 NE1 TRP A 71 7.068 -9.747 10.830 1.00 75.00 N ATOM 1110 CE2 TRP A 71 7.851 -10.426 11.723 1.00 75.00 C ATOM 1111 CE3 TRP A 71 7.692 -12.382 13.131 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 9.154 -10.173 12.155 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 8.980 -12.129 13.562 1.00 75.00 C ATOM 1114 CH2 TRP A 71 9.702 -11.033 13.074 1.00 75.00 C ATOM 0 H TRP A 71 3.369 -10.136 13.245 1.00 75.00 H new ATOM 0 HA TRP A 71 3.121 -11.071 11.236 1.00 75.00 H new ATOM 0 HB2 TRP A 71 4.928 -13.152 12.521 1.00 75.00 H new ATOM 0 HB3 TRP A 71 4.607 -13.064 10.800 1.00 75.00 H new ATOM 0 HD1 TRP A 71 5.053 -10.078 10.063 1.00 75.00 H new ATOM 0 HE1 TRP A 71 7.340 -8.901 10.330 1.00 75.00 H new ATOM 0 HE3 TRP A 71 7.145 -13.233 13.511 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 9.712 -9.329 11.779 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 9.437 -12.787 14.287 1.00 75.00 H new ATOM 0 HH2 TRP A 71 10.708 -10.861 13.427 1.00 75.00 H new ATOM 1125 N ARG A 72 0.976 -12.455 12.409 1.00 75.00 N ATOM 1126 CA ARG A 72 -0.184 -13.356 12.585 1.00 75.00 C ATOM 1127 C ARG A 72 -0.680 -13.962 11.251 1.00 75.00 C ATOM 1128 O ARG A 72 -1.108 -15.117 11.210 1.00 75.00 O ATOM 1129 CB ARG A 72 -1.336 -12.615 13.311 1.00 75.00 C ATOM 1130 CG ARG A 72 -1.994 -11.489 12.484 1.00 75.00 C ATOM 1131 CD ARG A 72 -3.169 -10.806 13.209 1.00 75.00 C ATOM 1132 NE ARG A 72 -3.993 -10.017 12.275 1.00 75.00 N ATOM 1133 CZ ARG A 72 -3.819 -8.721 11.986 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -2.840 -8.009 12.539 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -4.643 -8.130 11.139 1.00 75.00 N ATOM 0 H ARG A 72 0.801 -11.502 12.728 1.00 75.00 H new ATOM 0 HA ARG A 72 0.152 -14.190 13.201 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -2.101 -13.341 13.587 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -0.951 -12.190 14.238 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -1.241 -10.739 12.241 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -2.349 -11.902 11.540 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -3.788 -11.561 13.693 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -2.785 -10.156 13.995 1.00 75.00 H new ATOM 0 HE ARG A 72 -4.761 -10.500 11.809 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -2.200 -8.449 13.200 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -2.730 -7.023 12.302 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -5.403 -8.660 10.712 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -4.520 -7.143 10.912 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.584 -13.176 10.161 1.00 75.00 N ATOM 1150 CA VAL A 73 -0.996 -13.614 8.814 1.00 75.00 C ATOM 1151 C VAL A 73 0.067 -14.555 8.216 1.00 75.00 C ATOM 1152 O VAL A 73 -0.248 -15.477 7.458 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.234 -12.370 7.874 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -1.747 -12.784 6.478 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.196 -11.353 8.534 1.00 50.00 C ATOM 0 H VAL A 73 -0.220 -12.224 10.189 1.00 75.00 H new ATOM 0 HA VAL A 73 -1.936 -14.159 8.896 1.00 75.00 H new ATOM 0 HB VAL A 73 -0.267 -11.888 7.732 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -1.896 -11.894 5.867 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -1.015 -13.435 6.000 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -2.693 -13.316 6.581 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.343 -10.505 7.865 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.155 -11.833 8.728 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.768 -11.004 9.474 1.00 50.00 H new ATOM 1165 N GLN A 74 1.338 -14.315 8.597 1.00 75.00 N ATOM 1166 CA GLN A 74 2.490 -15.114 8.138 1.00 75.00 C ATOM 1167 C GLN A 74 2.719 -16.349 9.030 1.00 75.00 C ATOM 1168 O GLN A 74 3.599 -17.147 8.744 1.00 75.00 O ATOM 1169 CB GLN A 74 3.770 -14.232 8.072 1.00 75.00 C ATOM 1170 CG GLN A 74 3.667 -13.015 7.126 1.00 75.00 C ATOM 1171 CD GLN A 74 3.140 -13.369 5.732 1.00 75.00 C ATOM 1172 OE1 GLN A 74 3.895 -13.759 4.846 1.00 75.00 O ATOM 1173 NE2 GLN A 74 1.839 -13.199 5.521 1.00 75.00 N ATOM 0 H GLN A 74 1.594 -13.560 9.233 1.00 75.00 H new ATOM 0 HA GLN A 74 2.265 -15.477 7.135 1.00 75.00 H new ATOM 0 HB2 GLN A 74 4.002 -13.876 9.076 1.00 75.00 H new ATOM 0 HB3 GLN A 74 4.607 -14.853 7.753 1.00 75.00 H new ATOM 0 HG2 GLN A 74 3.011 -12.270 7.576 1.00 75.00 H new ATOM 0 HG3 GLN A 74 4.651 -12.556 7.028 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.238 -12.874 6.278 1.00 75.00 H new ATOM 0 HE22 GLN A 74 1.442 -13.394 4.602 1.00 75.00 H new ATOM 1182 N ARG A 75 1.915 -16.508 10.100 1.00 75.00 N ATOM 1183 CA ARG A 75 1.975 -17.704 10.977 1.00 75.00 C ATOM 1184 C ARG A 75 1.528 -18.981 10.233 1.00 75.00 C ATOM 1185 O ARG A 75 1.936 -20.089 10.586 1.00 75.00 O ATOM 1186 CB ARG A 75 1.107 -17.495 12.252 1.00 75.00 C ATOM 1187 CG ARG A 75 1.655 -16.471 13.276 1.00 75.00 C ATOM 1188 CD ARG A 75 2.912 -16.947 14.034 1.00 75.00 C ATOM 1189 NE ARG A 75 4.105 -17.069 13.170 1.00 75.00 N ATOM 1190 CZ ARG A 75 4.929 -18.129 13.117 1.00 75.00 C ATOM 1191 NH1 ARG A 75 4.734 -19.201 13.888 1.00 75.00 N ATOM 1192 NH2 ARG A 75 5.950 -18.118 12.275 1.00 75.00 N ATOM 0 H ARG A 75 1.213 -15.824 10.382 1.00 75.00 H new ATOM 0 HA ARG A 75 3.015 -17.836 11.274 1.00 75.00 H new ATOM 0 HB2 ARG A 75 0.112 -17.176 11.943 1.00 75.00 H new ATOM 0 HB3 ARG A 75 0.992 -18.456 12.753 1.00 75.00 H new ATOM 0 HG2 ARG A 75 1.888 -15.542 12.755 1.00 75.00 H new ATOM 0 HG3 ARG A 75 0.872 -16.243 14.000 1.00 75.00 H new ATOM 0 HD2 ARG A 75 3.127 -16.248 14.842 1.00 75.00 H new ATOM 0 HD3 ARG A 75 2.706 -17.913 14.495 1.00 75.00 H new ATOM 0 HE ARG A 75 4.322 -16.280 12.561 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.946 -19.227 14.535 1.00 75.00 H new ATOM 0 HH12 ARG A 75 5.373 -19.994 13.830 1.00 75.00 H new ATOM 0 HH21 ARG A 75 6.106 -17.309 11.673 1.00 75.00 H new ATOM 0 HH22 ARG A 75 6.581 -18.918 12.228 1.00 75.00 H new ATOM 1206 N SER A 76 0.703 -18.793 9.193 1.00 75.00 N ATOM 1207 CA SER A 76 0.087 -19.888 8.420 1.00 75.00 C ATOM 1208 C SER A 76 1.091 -20.652 7.520 1.00 75.00 C ATOM 1209 O SER A 76 0.739 -21.683 6.942 1.00 75.00 O ATOM 1210 CB SER A 76 -1.048 -19.296 7.571 1.00 75.00 C ATOM 1211 OG SER A 76 -1.953 -18.553 8.374 1.00 75.00 O ATOM 0 H SER A 76 0.440 -17.866 8.859 1.00 75.00 H new ATOM 0 HA SER A 76 -0.292 -20.625 9.128 1.00 75.00 H new ATOM 0 HB2 SER A 76 -0.630 -18.652 6.798 1.00 75.00 H new ATOM 0 HB3 SER A 76 -1.583 -20.098 7.063 1.00 75.00 H new ATOM 0 HG SER A 76 -2.849 -18.944 8.304 1.00 75.00 H new ATOM 1217 N GLN A 77 2.335 -20.144 7.412 1.00 75.00 N ATOM 1218 CA GLN A 77 3.377 -20.745 6.551 1.00 75.00 C ATOM 1219 C GLN A 77 4.763 -20.356 7.091 1.00 75.00 C ATOM 1220 O GLN A 77 5.623 -21.222 7.314 1.00 75.00 O ATOM 1221 CB GLN A 77 3.185 -20.263 5.069 1.00 75.00 C ATOM 1222 CG GLN A 77 3.823 -21.139 3.960 1.00 75.00 C ATOM 1223 CD GLN A 77 5.345 -21.300 4.040 1.00 75.00 C ATOM 1224 OE1 GLN A 77 6.099 -20.457 3.552 1.00 75.00 O ATOM 1225 NE2 GLN A 77 5.804 -22.397 4.621 1.00 75.00 N ATOM 0 H GLN A 77 2.645 -19.312 7.914 1.00 75.00 H new ATOM 0 HA GLN A 77 3.293 -21.832 6.563 1.00 75.00 H new ATOM 0 HB2 GLN A 77 2.116 -20.191 4.871 1.00 75.00 H new ATOM 0 HB3 GLN A 77 3.594 -19.256 4.984 1.00 75.00 H new ATOM 0 HG2 GLN A 77 3.368 -22.129 3.997 1.00 75.00 H new ATOM 0 HG3 GLN A 77 3.571 -20.708 2.991 1.00 75.00 H new ATOM 0 HE21 GLN A 77 5.153 -23.076 5.016 1.00 75.00 H new ATOM 0 HE22 GLN A 77 6.809 -22.564 4.674 1.00 75.00 H new ATOM 1234 N ASN A 78 4.933 -19.040 7.283 1.00 75.00 N ATOM 1235 CA ASN A 78 6.204 -18.387 7.650 1.00 75.00 C ATOM 1236 C ASN A 78 7.192 -18.418 6.458 1.00 75.00 C ATOM 1237 O ASN A 78 8.122 -19.228 6.431 1.00 75.00 O ATOM 1238 CB ASN A 78 6.807 -18.961 8.975 1.00 75.00 C ATOM 1239 CG ASN A 78 8.014 -18.171 9.502 1.00 75.00 C ATOM 1240 OD1 ASN A 78 7.861 -17.220 10.272 1.00 75.00 O ATOM 1241 ND2 ASN A 78 9.217 -18.554 9.105 1.00 75.00 N ATOM 0 H ASN A 78 4.165 -18.376 7.184 1.00 75.00 H new ATOM 0 HA ASN A 78 5.999 -17.339 7.867 1.00 75.00 H new ATOM 0 HB2 ASN A 78 6.031 -18.974 9.740 1.00 75.00 H new ATOM 0 HB3 ASN A 78 7.107 -19.996 8.808 1.00 75.00 H new ATOM 0 HD21 ASN A 78 10.045 -18.059 9.437 1.00 75.00 H new ATOM 0 HD22 ASN A 78 9.316 -19.344 8.467 1.00 75.00 H new ATOM 1248 N PRO A 79 6.960 -17.548 5.413 1.00 75.00 N ATOM 1249 CA PRO A 79 7.918 -17.332 4.301 1.00 75.00 C ATOM 1250 C PRO A 79 8.888 -16.170 4.605 1.00 75.00 C ATOM 1251 O PRO A 79 9.514 -15.601 3.700 1.00 75.00 O ATOM 1252 CB PRO A 79 6.965 -16.993 3.136 1.00 75.00 C ATOM 1253 CG PRO A 79 5.856 -16.202 3.778 1.00 75.00 C ATOM 1254 CD PRO A 79 5.728 -16.718 5.209 1.00 75.00 C ATOM 0 HA PRO A 79 8.571 -18.182 4.104 1.00 75.00 H new ATOM 0 HB2 PRO A 79 7.471 -16.413 2.364 1.00 75.00 H new ATOM 0 HB3 PRO A 79 6.584 -17.896 2.658 1.00 75.00 H new ATOM 0 HG2 PRO A 79 6.084 -15.136 3.769 1.00 75.00 H new ATOM 0 HG3 PRO A 79 4.921 -16.332 3.233 1.00 75.00 H new ATOM 0 HD2 PRO A 79 5.678 -15.898 5.925 1.00 75.00 H new ATOM 0 HD3 PRO A 79 4.823 -17.311 5.339 1.00 75.00 H new ATOM 1262 N LEU A 80 9.007 -15.859 5.905 1.00 75.00 N ATOM 1263 CA LEU A 80 9.738 -14.703 6.413 1.00 75.00 C ATOM 1264 C LEU A 80 11.252 -14.951 6.346 1.00 75.00 C ATOM 1265 O LEU A 80 11.826 -15.656 7.184 1.00 75.00 O ATOM 1266 CB LEU A 80 9.262 -14.407 7.854 1.00 75.00 C ATOM 1267 CG LEU A 80 7.764 -14.002 7.975 1.00 75.00 C ATOM 1268 CD1 LEU A 80 7.339 -13.926 9.441 1.00 75.00 C ATOM 1269 CD2 LEU A 80 7.484 -12.673 7.242 1.00 75.00 C ATOM 0 H LEU A 80 8.585 -16.422 6.644 1.00 75.00 H new ATOM 0 HA LEU A 80 9.535 -13.829 5.794 1.00 75.00 H new ATOM 0 HB2 LEU A 80 9.436 -15.291 8.468 1.00 75.00 H new ATOM 0 HB3 LEU A 80 9.875 -13.606 8.267 1.00 75.00 H new ATOM 0 HG LEU A 80 7.166 -14.775 7.492 1.00 75.00 H new ATOM 0 HD11 LEU A 80 6.289 -13.641 9.501 1.00 75.00 H new ATOM 0 HD12 LEU A 80 7.479 -14.899 9.911 1.00 75.00 H new ATOM 0 HD13 LEU A 80 7.946 -13.183 9.958 1.00 75.00 H new ATOM 0 HD21 LEU A 80 6.430 -12.416 7.344 1.00 75.00 H new ATOM 0 HD22 LEU A 80 8.094 -11.882 7.678 1.00 75.00 H new ATOM 0 HD23 LEU A 80 7.730 -12.781 6.186 1.00 75.00 H new ATOM 1281 N LYS A 81 11.860 -14.376 5.305 1.00 75.00 N ATOM 1282 CA LYS A 81 13.292 -14.489 5.020 1.00 75.00 C ATOM 1283 C LYS A 81 14.087 -13.650 6.035 1.00 75.00 C ATOM 1284 O LYS A 81 13.797 -12.461 6.206 1.00 75.00 O ATOM 1285 CB LYS A 81 13.542 -13.999 3.566 1.00 75.00 C ATOM 1286 CG LYS A 81 12.628 -14.696 2.526 1.00 75.00 C ATOM 1287 CD LYS A 81 12.634 -14.030 1.132 1.00 75.00 C ATOM 1288 CE LYS A 81 11.589 -14.656 0.188 1.00 75.00 C ATOM 1289 NZ LYS A 81 11.544 -13.982 -1.139 1.00 75.00 N ATOM 0 H LYS A 81 11.359 -13.807 4.623 1.00 75.00 H new ATOM 0 HA LYS A 81 13.623 -15.524 5.109 1.00 75.00 H new ATOM 0 HB2 LYS A 81 13.381 -12.922 3.519 1.00 75.00 H new ATOM 0 HB3 LYS A 81 14.585 -14.177 3.303 1.00 75.00 H new ATOM 0 HG2 LYS A 81 12.941 -15.735 2.422 1.00 75.00 H new ATOM 0 HG3 LYS A 81 11.607 -14.708 2.906 1.00 75.00 H new ATOM 0 HD2 LYS A 81 12.433 -12.964 1.239 1.00 75.00 H new ATOM 0 HD3 LYS A 81 13.625 -14.125 0.689 1.00 75.00 H new ATOM 0 HE2 LYS A 81 11.817 -15.713 0.048 1.00 75.00 H new ATOM 0 HE3 LYS A 81 10.605 -14.602 0.653 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 10.826 -14.440 -1.737 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 11.300 -12.979 -1.011 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 12.475 -14.056 -1.598 1.00 75.00 H new ATOM 1303 N ILE A 82 15.055 -14.283 6.721 1.00 75.00 N ATOM 1304 CA ILE A 82 15.913 -13.610 7.713 1.00 75.00 C ATOM 1305 C ILE A 82 16.935 -12.682 7.004 1.00 75.00 C ATOM 1306 O ILE A 82 18.096 -13.038 6.772 1.00 75.00 O ATOM 1307 CB ILE A 82 16.616 -14.648 8.685 1.00 75.00 C ATOM 1308 CG1 ILE A 82 17.382 -15.765 7.893 1.00 75.00 C ATOM 1309 CG2 ILE A 82 15.570 -15.270 9.646 1.00 75.00 C ATOM 1310 CD1 ILE A 82 18.204 -16.723 8.752 1.00 75.00 C ATOM 0 H ILE A 82 15.265 -15.274 6.604 1.00 75.00 H new ATOM 0 HA ILE A 82 15.280 -12.985 8.343 1.00 75.00 H new ATOM 0 HB ILE A 82 17.358 -14.107 9.272 1.00 75.00 H new ATOM 0 HG12 ILE A 82 16.657 -16.345 7.322 1.00 75.00 H new ATOM 0 HG13 ILE A 82 18.046 -15.287 7.173 1.00 75.00 H new ATOM 0 HG21 ILE A 82 16.063 -15.981 10.309 1.00 75.00 H new ATOM 0 HG22 ILE A 82 15.107 -14.482 10.239 1.00 75.00 H new ATOM 0 HG23 ILE A 82 14.804 -15.785 9.066 1.00 75.00 H new ATOM 0 HD11 ILE A 82 18.694 -17.456 8.112 1.00 75.00 H new ATOM 0 HD12 ILE A 82 18.958 -16.161 9.304 1.00 75.00 H new ATOM 0 HD13 ILE A 82 17.548 -17.236 9.455 1.00 75.00 H new ATOM 1322 N ARG A 83 16.447 -11.493 6.617 1.00 75.00 N ATOM 1323 CA ARG A 83 17.237 -10.486 5.890 1.00 75.00 C ATOM 1324 C ARG A 83 18.250 -9.793 6.815 1.00 75.00 C ATOM 1325 O ARG A 83 18.221 -9.975 8.041 1.00 75.00 O ATOM 1326 CB ARG A 83 16.293 -9.444 5.239 1.00 75.00 C ATOM 1327 CG ARG A 83 15.378 -10.016 4.128 1.00 75.00 C ATOM 1328 CD ARG A 83 14.545 -8.923 3.437 1.00 75.00 C ATOM 1329 NE ARG A 83 15.397 -7.887 2.812 1.00 75.00 N ATOM 1330 CZ ARG A 83 14.984 -6.655 2.453 1.00 75.00 C ATOM 1331 NH1 ARG A 83 13.719 -6.269 2.645 1.00 75.00 N ATOM 1332 NH2 ARG A 83 15.852 -5.800 1.913 1.00 75.00 N ATOM 0 H ARG A 83 15.487 -11.201 6.801 1.00 75.00 H new ATOM 0 HA ARG A 83 17.801 -10.995 5.108 1.00 75.00 H new ATOM 0 HB2 ARG A 83 15.669 -9.002 6.016 1.00 75.00 H new ATOM 0 HB3 ARG A 83 16.895 -8.639 4.818 1.00 75.00 H new ATOM 0 HG2 ARG A 83 15.989 -10.528 3.385 1.00 75.00 H new ATOM 0 HG3 ARG A 83 14.709 -10.761 4.559 1.00 75.00 H new ATOM 0 HD2 ARG A 83 13.911 -9.378 2.676 1.00 75.00 H new ATOM 0 HD3 ARG A 83 13.883 -8.456 4.167 1.00 75.00 H new ATOM 0 HE ARG A 83 16.374 -8.124 2.639 1.00 75.00 H new ATOM 0 HH11 ARG A 83 13.049 -6.910 3.069 1.00 75.00 H new ATOM 0 HH12 ARG A 83 13.424 -5.333 2.367 1.00 75.00 H new ATOM 0 HH21 ARG A 83 16.823 -6.079 1.773 1.00 75.00 H new ATOM 0 HH22 ARG A 83 15.545 -4.866 1.639 1.00 75.00 H new ATOM 1346 N LEU A 84 19.145 -8.990 6.207 1.00 75.00 N ATOM 1347 CA LEU A 84 20.185 -8.244 6.935 1.00 75.00 C ATOM 1348 C LEU A 84 19.606 -6.940 7.509 1.00 75.00 C ATOM 1349 O LEU A 84 19.957 -5.825 7.092 1.00 75.00 O ATOM 1350 CB LEU A 84 21.408 -7.971 6.015 1.00 75.00 C ATOM 1351 CG LEU A 84 22.127 -9.230 5.440 1.00 75.00 C ATOM 1352 CD1 LEU A 84 23.310 -8.825 4.536 1.00 75.00 C ATOM 1353 CD2 LEU A 84 22.581 -10.193 6.562 1.00 75.00 C ATOM 0 H LEU A 84 19.166 -8.842 5.198 1.00 75.00 H new ATOM 0 HA LEU A 84 20.532 -8.850 7.771 1.00 75.00 H new ATOM 0 HB2 LEU A 84 21.078 -7.353 5.180 1.00 75.00 H new ATOM 0 HB3 LEU A 84 22.136 -7.386 6.577 1.00 75.00 H new ATOM 0 HG LEU A 84 21.404 -9.769 4.827 1.00 75.00 H new ATOM 0 HD11 LEU A 84 23.795 -9.721 4.148 1.00 75.00 H new ATOM 0 HD12 LEU A 84 22.943 -8.222 3.705 1.00 75.00 H new ATOM 0 HD13 LEU A 84 24.029 -8.246 5.115 1.00 75.00 H new ATOM 0 HD21 LEU A 84 23.077 -11.057 6.121 1.00 75.00 H new ATOM 0 HD22 LEU A 84 23.274 -9.677 7.226 1.00 75.00 H new ATOM 0 HD23 LEU A 84 21.712 -10.525 7.130 1.00 75.00 H new ATOM 1365 N THR A 85 18.677 -7.111 8.456 1.00 75.00 N ATOM 1366 CA THR A 85 18.050 -6.020 9.190 1.00 75.00 C ATOM 1367 C THR A 85 18.563 -6.064 10.640 1.00 75.00 C ATOM 1368 O THR A 85 18.059 -6.836 11.472 1.00 75.00 O ATOM 1369 CB THR A 85 16.485 -6.127 9.125 1.00 75.00 C ATOM 1370 OG1 THR A 85 16.071 -6.240 7.752 1.00 75.00 O ATOM 1371 CG2 THR A 85 15.783 -4.909 9.765 1.00 75.00 C ATOM 0 H THR A 85 18.337 -8.031 8.735 1.00 75.00 H new ATOM 0 HA THR A 85 18.314 -5.063 8.740 1.00 75.00 H new ATOM 0 HB THR A 85 16.196 -7.012 9.692 1.00 75.00 H new ATOM 0 HG1 THR A 85 15.094 -6.309 7.709 1.00 75.00 H new ATOM 0 HG21 THR A 85 14.702 -5.033 9.694 1.00 75.00 H new ATOM 0 HG22 THR A 85 16.071 -4.832 10.813 1.00 75.00 H new ATOM 0 HG23 THR A 85 16.079 -4.001 9.240 1.00 75.00 H new ATOM 1379 N ARG A 86 19.614 -5.266 10.902 1.00 75.00 N ATOM 1380 CA ARG A 86 20.313 -5.233 12.197 1.00 75.00 C ATOM 1381 C ARG A 86 19.381 -4.708 13.307 1.00 75.00 C ATOM 1382 O ARG A 86 19.036 -3.519 13.337 1.00 75.00 O ATOM 1383 CB ARG A 86 21.603 -4.366 12.095 1.00 75.00 C ATOM 1384 CG ARG A 86 22.646 -4.908 11.090 1.00 75.00 C ATOM 1385 CD ARG A 86 23.924 -4.053 11.018 1.00 75.00 C ATOM 1386 NE ARG A 86 24.892 -4.608 10.050 1.00 75.00 N ATOM 1387 CZ ARG A 86 26.058 -4.042 9.698 1.00 75.00 C ATOM 1388 NH1 ARG A 86 26.440 -2.868 10.215 1.00 75.00 N ATOM 1389 NH2 ARG A 86 26.841 -4.655 8.811 1.00 75.00 N ATOM 0 H ARG A 86 20.004 -4.621 10.215 1.00 75.00 H new ATOM 0 HA ARG A 86 20.605 -6.250 12.459 1.00 75.00 H new ATOM 0 HB2 ARG A 86 21.326 -3.353 11.804 1.00 75.00 H new ATOM 0 HB3 ARG A 86 22.063 -4.300 13.081 1.00 75.00 H new ATOM 0 HG2 ARG A 86 22.914 -5.927 11.369 1.00 75.00 H new ATOM 0 HG3 ARG A 86 22.194 -4.958 10.099 1.00 75.00 H new ATOM 0 HD2 ARG A 86 23.665 -3.033 10.732 1.00 75.00 H new ATOM 0 HD3 ARG A 86 24.384 -4.000 12.005 1.00 75.00 H new ATOM 0 HE ARG A 86 24.654 -5.498 9.611 1.00 75.00 H new ATOM 0 HH11 ARG A 86 25.842 -2.388 10.888 1.00 75.00 H new ATOM 0 HH12 ARG A 86 27.329 -2.453 9.936 1.00 75.00 H new ATOM 0 HH21 ARG A 86 26.553 -5.546 8.406 1.00 75.00 H new ATOM 0 HH22 ARG A 86 27.728 -4.233 8.537 1.00 75.00 H new ATOM 1403 N GLU A 87 18.949 -5.637 14.178 1.00 75.00 N ATOM 1404 CA GLU A 87 18.101 -5.338 15.341 1.00 75.00 C ATOM 1405 C GLU A 87 18.879 -4.531 16.394 1.00 75.00 C ATOM 1406 O GLU A 87 20.082 -4.751 16.604 1.00 75.00 O ATOM 1407 CB GLU A 87 17.586 -6.657 15.972 1.00 75.00 C ATOM 1408 CG GLU A 87 16.674 -7.486 15.051 1.00 75.00 C ATOM 1409 CD GLU A 87 16.156 -8.769 15.717 1.00 75.00 C ATOM 1410 OE1 GLU A 87 15.282 -8.672 16.610 1.00 75.00 O ATOM 1411 OE2 GLU A 87 16.601 -9.880 15.362 1.00 75.00 O ATOM 0 H GLU A 87 19.182 -6.626 14.092 1.00 75.00 H new ATOM 0 HA GLU A 87 17.255 -4.741 15.002 1.00 75.00 H new ATOM 0 HB2 GLU A 87 18.442 -7.267 16.260 1.00 75.00 H new ATOM 0 HB3 GLU A 87 17.041 -6.420 16.886 1.00 75.00 H new ATOM 0 HG2 GLU A 87 15.826 -6.875 14.743 1.00 75.00 H new ATOM 0 HG3 GLU A 87 17.222 -7.749 14.146 1.00 75.00 H new ATOM 1418 N ALA A 88 18.180 -3.599 17.053 1.00 75.00 N ATOM 1419 CA ALA A 88 18.716 -2.837 18.193 1.00 75.00 C ATOM 1420 C ALA A 88 17.807 -3.077 19.419 1.00 75.00 C ATOM 1421 O ALA A 88 16.844 -2.332 19.636 1.00 75.00 O ATOM 1422 CB ALA A 88 18.832 -1.344 17.841 1.00 75.00 C ATOM 0 H ALA A 88 17.221 -3.349 16.811 1.00 75.00 H new ATOM 0 HA ALA A 88 19.723 -3.179 18.434 1.00 75.00 H new ATOM 0 HB1 ALA A 88 19.230 -0.798 18.697 1.00 75.00 H new ATOM 0 HB2 ALA A 88 19.501 -1.222 16.989 1.00 75.00 H new ATOM 0 HB3 ALA A 88 17.847 -0.952 17.587 1.00 75.00 H new ATOM 1428 N PRO A 89 18.066 -4.164 20.220 1.00 75.00 N ATOM 1429 CA PRO A 89 17.250 -4.512 21.397 1.00 75.00 C ATOM 1430 C PRO A 89 17.666 -3.658 22.635 1.00 75.00 C ATOM 1431 O PRO A 89 17.125 -2.543 22.802 1.00 75.00 O ATOM 1432 CB PRO A 89 17.521 -6.049 21.574 1.00 75.00 C ATOM 1433 CG PRO A 89 18.530 -6.430 20.509 1.00 75.00 C ATOM 1434 CD PRO A 89 19.174 -5.135 20.065 1.00 75.00 C ATOM 1435 OXT PRO A 89 18.548 -4.083 23.405 1.00 75.00 O ATOM 0 HA PRO A 89 16.186 -4.303 21.282 1.00 75.00 H new ATOM 0 HB2 PRO A 89 17.908 -6.263 22.570 1.00 75.00 H new ATOM 0 HB3 PRO A 89 16.601 -6.622 21.460 1.00 75.00 H new ATOM 0 HG2 PRO A 89 19.274 -7.120 20.906 1.00 75.00 H new ATOM 0 HG3 PRO A 89 18.044 -6.931 19.672 1.00 75.00 H new ATOM 0 HD2 PRO A 89 20.033 -4.875 20.684 1.00 75.00 H new ATOM 0 HD3 PRO A 89 19.527 -5.188 19.035 1.00 75.00 H new TER 1443 PRO A 89