USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 43 THR OG1 : rot 180:sc= -0.686 USER MOD Set 1.2: A 46 GLN : amide:sc= -0.772 K(o=-1.5,f=-2.5!) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0245 X(o=1.2,f=0.92) USER MOD Set 2.2: A 32 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0274 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.148 USER MOD Single : A 4 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 13 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.27) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 22 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -0.0125 (180deg=-0.172) USER MOD Single : A 27 HIS : no HD1:sc= -0.565 K(o=-0.56,f=-0.0037) USER MOD Single : A 31 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 34 CYS SG : rot -49:sc= 1.24 USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.0716 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -0.153 (180deg=-0.79) USER MOD Single : A 53 GLN : amide:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.125 USER MOD Single : A 66 SER OG : rot 45:sc= 1.02 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.206 USER MOD Single : A 70 SER OG : rot 180:sc= 0.102 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.264 3.774 -17.117 1.00 0.00 N ATOM 2 CA MET A 1 20.912 3.699 -15.802 1.00 0.00 C ATOM 3 C MET A 1 21.743 2.426 -15.657 1.00 0.00 C ATOM 4 O MET A 1 21.607 1.485 -16.440 1.00 0.00 O ATOM 5 CB MET A 1 19.877 3.790 -14.674 1.00 0.00 C ATOM 6 CG MET A 1 19.924 5.101 -13.904 1.00 0.00 C ATOM 7 SD MET A 1 18.793 6.341 -14.564 1.00 0.00 S ATOM 8 CE MET A 1 19.912 7.322 -15.565 1.00 0.00 C ATOM 0 H1 MET A 1 19.325 4.211 -17.017 1.00 0.00 H new ATOM 0 H2 MET A 1 20.847 4.349 -17.759 1.00 0.00 H new ATOM 0 H3 MET A 1 20.160 2.816 -17.508 1.00 0.00 H new ATOM 0 HA MET A 1 21.587 4.552 -15.725 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.880 3.663 -15.097 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.036 2.965 -13.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.679 4.912 -12.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.940 5.494 -13.927 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.359 8.132 -16.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.695 7.739 -14.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.362 6.691 -16.331 1.00 0.00 H new ATOM 18 N SER A 2 22.632 2.410 -14.675 1.00 0.00 N ATOM 19 CA SER A 2 23.456 1.240 -14.417 1.00 0.00 C ATOM 20 C SER A 2 22.628 0.121 -13.794 1.00 0.00 C ATOM 21 O SER A 2 22.639 -1.014 -14.274 1.00 0.00 O ATOM 22 CB SER A 2 24.614 1.611 -13.493 1.00 0.00 C ATOM 23 OG SER A 2 24.413 2.894 -12.920 1.00 0.00 O ATOM 0 H SER A 2 22.801 3.194 -14.044 1.00 0.00 H new ATOM 0 HA SER A 2 23.855 0.884 -15.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.707 0.866 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.549 1.601 -14.053 1.00 0.00 H new ATOM 0 HG SER A 2 25.165 3.111 -12.331 1.00 0.00 H new ATOM 29 N ALA A 3 21.905 0.451 -12.731 1.00 0.00 N ATOM 30 CA ALA A 3 21.095 -0.523 -12.017 1.00 0.00 C ATOM 31 C ALA A 3 20.135 0.177 -11.069 1.00 0.00 C ATOM 32 O ALA A 3 20.322 1.351 -10.746 1.00 0.00 O ATOM 33 CB ALA A 3 21.980 -1.486 -11.237 1.00 0.00 C ATOM 0 H ALA A 3 21.865 1.394 -12.344 1.00 0.00 H new ATOM 0 HA ALA A 3 20.519 -1.089 -12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 3 21.356 -2.207 -10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 3 22.640 -2.013 -11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 3 22.578 -0.928 -10.517 1.00 0.00 H new ATOM 39 N GLN A 4 19.116 -0.544 -10.633 1.00 0.00 N ATOM 40 CA GLN A 4 18.182 -0.027 -9.649 1.00 0.00 C ATOM 41 C GLN A 4 18.471 -0.642 -8.285 1.00 0.00 C ATOM 42 O GLN A 4 18.159 -1.808 -8.041 1.00 0.00 O ATOM 43 CB GLN A 4 16.739 -0.329 -10.063 1.00 0.00 C ATOM 44 CG GLN A 4 16.234 0.546 -11.195 1.00 0.00 C ATOM 45 CD GLN A 4 16.483 -0.064 -12.558 1.00 0.00 C ATOM 46 OE1 GLN A 4 17.264 0.455 -13.354 1.00 0.00 O ATOM 47 NE2 GLN A 4 15.829 -1.179 -12.830 1.00 0.00 N ATOM 0 H GLN A 4 18.915 -1.493 -10.947 1.00 0.00 H new ATOM 0 HA GLN A 4 18.306 1.054 -9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 4 16.668 -1.374 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.088 -0.201 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.165 0.718 -11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 4 16.722 1.519 -11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.190 -1.576 -12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 4 15.963 -1.643 -13.729 1.00 0.00 H new ATOM 56 N THR A 5 19.069 0.144 -7.405 1.00 0.00 N ATOM 57 CA THR A 5 19.411 -0.318 -6.067 1.00 0.00 C ATOM 58 C THR A 5 18.268 -0.040 -5.091 1.00 0.00 C ATOM 59 O THR A 5 18.485 0.291 -3.925 1.00 0.00 O ATOM 60 CB THR A 5 20.700 0.356 -5.564 1.00 0.00 C ATOM 61 OG1 THR A 5 21.495 0.778 -6.683 1.00 0.00 O ATOM 62 CG2 THR A 5 21.510 -0.598 -4.701 1.00 0.00 C ATOM 0 H THR A 5 19.330 1.112 -7.594 1.00 0.00 H new ATOM 0 HA THR A 5 19.578 -1.394 -6.120 1.00 0.00 H new ATOM 0 HB THR A 5 20.421 1.220 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 5 22.314 1.208 -6.359 1.00 0.00 H new ATOM 0 HG21 THR A 5 22.416 -0.098 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 5 20.916 -0.903 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 5 21.780 -1.477 -5.286 1.00 0.00 H new ATOM 70 N VAL A 6 17.047 -0.165 -5.590 1.00 0.00 N ATOM 71 CA VAL A 6 15.855 0.051 -4.786 1.00 0.00 C ATOM 72 C VAL A 6 15.069 -1.243 -4.664 1.00 0.00 C ATOM 73 O VAL A 6 14.534 -1.747 -5.653 1.00 0.00 O ATOM 74 CB VAL A 6 14.937 1.137 -5.392 1.00 0.00 C ATOM 75 CG1 VAL A 6 13.988 1.686 -4.338 1.00 0.00 C ATOM 76 CG2 VAL A 6 15.754 2.261 -6.013 1.00 0.00 C ATOM 0 H VAL A 6 16.856 -0.418 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 6 16.186 0.389 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 6 14.346 0.674 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.350 2.449 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.369 0.878 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.564 2.125 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.082 3.011 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.380 2.721 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.385 1.857 -6.804 1.00 0.00 H new ATOM 86 N SER A 7 15.015 -1.786 -3.458 1.00 0.00 N ATOM 87 CA SER A 7 14.303 -3.030 -3.210 1.00 0.00 C ATOM 88 C SER A 7 12.818 -2.765 -3.005 1.00 0.00 C ATOM 89 O SER A 7 11.985 -3.668 -3.128 1.00 0.00 O ATOM 90 CB SER A 7 14.895 -3.728 -1.984 1.00 0.00 C ATOM 91 OG SER A 7 16.145 -3.152 -1.634 1.00 0.00 O ATOM 0 H SER A 7 15.458 -1.383 -2.632 1.00 0.00 H new ATOM 0 HA SER A 7 14.415 -3.680 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.204 -3.648 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.024 -4.790 -2.191 1.00 0.00 H new ATOM 0 HG SER A 7 16.507 -3.610 -0.847 1.00 0.00 H new ATOM 97 N GLY A 8 12.497 -1.514 -2.717 1.00 0.00 N ATOM 98 CA GLY A 8 11.126 -1.136 -2.448 1.00 0.00 C ATOM 99 C GLY A 8 10.767 -1.371 -0.996 1.00 0.00 C ATOM 100 O GLY A 8 11.654 -1.419 -0.144 1.00 0.00 O ATOM 0 H GLY A 8 13.168 -0.747 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.981 -0.084 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.456 -1.710 -3.088 1.00 0.00 H new ATOM 104 N PRO A 9 9.477 -1.516 -0.677 1.00 0.00 N ATOM 105 CA PRO A 9 9.038 -1.827 0.683 1.00 0.00 C ATOM 106 C PRO A 9 9.499 -3.214 1.109 1.00 0.00 C ATOM 107 O PRO A 9 9.133 -4.220 0.498 1.00 0.00 O ATOM 108 CB PRO A 9 7.510 -1.755 0.601 1.00 0.00 C ATOM 109 CG PRO A 9 7.193 -1.964 -0.841 1.00 0.00 C ATOM 110 CD PRO A 9 8.348 -1.392 -1.612 1.00 0.00 C ATOM 0 HA PRO A 9 9.453 -1.142 1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.045 -2.520 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.141 -0.791 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.065 -3.024 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.261 -1.467 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.528 -1.944 -2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.170 -0.354 -1.891 1.00 0.00 H new ATOM 118 N THR A 10 10.322 -3.251 2.142 1.00 0.00 N ATOM 119 CA THR A 10 10.891 -4.488 2.635 1.00 0.00 C ATOM 120 C THR A 10 9.840 -5.334 3.351 1.00 0.00 C ATOM 121 O THR A 10 8.789 -4.823 3.734 1.00 0.00 O ATOM 122 CB THR A 10 12.062 -4.174 3.574 1.00 0.00 C ATOM 123 OG1 THR A 10 11.913 -2.844 4.100 1.00 0.00 O ATOM 124 CG2 THR A 10 13.377 -4.270 2.820 1.00 0.00 C ATOM 0 H THR A 10 10.613 -2.423 2.661 1.00 0.00 H new ATOM 0 HA THR A 10 11.255 -5.067 1.786 1.00 0.00 H new ATOM 0 HB THR A 10 12.064 -4.896 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.661 -2.644 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.202 -4.045 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.497 -5.279 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.378 -3.555 1.997 1.00 0.00 H new ATOM 132 N GLU A 11 10.136 -6.619 3.527 1.00 0.00 N ATOM 133 CA GLU A 11 9.184 -7.583 4.090 1.00 0.00 C ATOM 134 C GLU A 11 8.562 -7.093 5.397 1.00 0.00 C ATOM 135 O GLU A 11 7.351 -7.206 5.598 1.00 0.00 O ATOM 136 CB GLU A 11 9.877 -8.924 4.334 1.00 0.00 C ATOM 137 CG GLU A 11 9.142 -10.105 3.727 1.00 0.00 C ATOM 138 CD GLU A 11 8.792 -9.884 2.271 1.00 0.00 C ATOM 139 OE1 GLU A 11 9.690 -10.002 1.416 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.613 -9.597 1.975 1.00 0.00 O ATOM 0 H GLU A 11 11.040 -7.025 3.285 1.00 0.00 H new ATOM 0 HA GLU A 11 8.382 -7.699 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.885 -8.883 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.978 -9.082 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.760 -10.999 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.229 -10.290 4.293 1.00 0.00 H new ATOM 147 N ASP A 12 9.391 -6.543 6.271 1.00 0.00 N ATOM 148 CA ASP A 12 8.931 -6.079 7.574 1.00 0.00 C ATOM 149 C ASP A 12 8.079 -4.822 7.432 1.00 0.00 C ATOM 150 O ASP A 12 7.122 -4.620 8.181 1.00 0.00 O ATOM 151 CB ASP A 12 10.112 -5.833 8.533 1.00 0.00 C ATOM 152 CG ASP A 12 11.210 -4.937 7.971 1.00 0.00 C ATOM 153 OD1 ASP A 12 11.314 -4.788 6.735 1.00 0.00 O ATOM 154 OD2 ASP A 12 12.010 -4.409 8.771 1.00 0.00 O ATOM 0 H ASP A 12 10.388 -6.406 6.103 1.00 0.00 H new ATOM 0 HA ASP A 12 8.312 -6.866 8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.731 -5.386 9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.549 -6.794 8.804 1.00 0.00 H new ATOM 159 N GLN A 13 8.414 -3.992 6.458 1.00 0.00 N ATOM 160 CA GLN A 13 7.642 -2.789 6.184 1.00 0.00 C ATOM 161 C GLN A 13 6.318 -3.151 5.526 1.00 0.00 C ATOM 162 O GLN A 13 5.297 -2.511 5.770 1.00 0.00 O ATOM 163 CB GLN A 13 8.435 -1.829 5.297 1.00 0.00 C ATOM 164 CG GLN A 13 9.626 -1.207 6.003 1.00 0.00 C ATOM 165 CD GLN A 13 9.257 -0.600 7.345 1.00 0.00 C ATOM 166 OE1 GLN A 13 9.782 -0.992 8.387 1.00 0.00 O ATOM 167 NE2 GLN A 13 8.349 0.362 7.330 1.00 0.00 N ATOM 0 H GLN A 13 9.216 -4.129 5.843 1.00 0.00 H new ATOM 0 HA GLN A 13 7.436 -2.288 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.784 -2.365 4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.773 -1.036 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.394 -1.967 6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.059 -0.436 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.936 0.660 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.062 0.806 8.202 1.00 0.00 H new ATOM 176 N VAL A 14 6.348 -4.185 4.695 1.00 0.00 N ATOM 177 CA VAL A 14 5.151 -4.682 4.028 1.00 0.00 C ATOM 178 C VAL A 14 4.135 -5.171 5.057 1.00 0.00 C ATOM 179 O VAL A 14 2.930 -5.068 4.847 1.00 0.00 O ATOM 180 CB VAL A 14 5.491 -5.820 3.036 1.00 0.00 C ATOM 181 CG1 VAL A 14 4.233 -6.516 2.532 1.00 0.00 C ATOM 182 CG2 VAL A 14 6.297 -5.278 1.867 1.00 0.00 C ATOM 0 H VAL A 14 7.198 -4.700 4.465 1.00 0.00 H new ATOM 0 HA VAL A 14 4.718 -3.857 3.462 1.00 0.00 H new ATOM 0 HB VAL A 14 6.090 -6.558 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.510 -7.309 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.691 -6.944 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.597 -5.793 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.529 -6.090 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.717 -4.515 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.224 -4.840 2.236 1.00 0.00 H new ATOM 192 N GLU A 15 4.630 -5.670 6.184 1.00 0.00 N ATOM 193 CA GLU A 15 3.758 -6.124 7.264 1.00 0.00 C ATOM 194 C GLU A 15 2.974 -4.946 7.838 1.00 0.00 C ATOM 195 O GLU A 15 1.754 -5.012 8.004 1.00 0.00 O ATOM 196 CB GLU A 15 4.581 -6.795 8.361 1.00 0.00 C ATOM 197 CG GLU A 15 4.261 -8.268 8.536 1.00 0.00 C ATOM 198 CD GLU A 15 4.091 -8.662 9.987 1.00 0.00 C ATOM 199 OE1 GLU A 15 3.498 -7.880 10.762 1.00 0.00 O ATOM 200 OE2 GLU A 15 4.547 -9.758 10.361 1.00 0.00 O ATOM 0 H GLU A 15 5.627 -5.771 6.375 1.00 0.00 H new ATOM 0 HA GLU A 15 3.053 -6.852 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.640 -6.686 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.406 -6.278 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.347 -8.504 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.059 -8.864 8.093 1.00 0.00 H new ATOM 207 N ILE A 16 3.689 -3.863 8.113 1.00 0.00 N ATOM 208 CA ILE A 16 3.077 -2.625 8.588 1.00 0.00 C ATOM 209 C ILE A 16 2.136 -2.065 7.527 1.00 0.00 C ATOM 210 O ILE A 16 1.094 -1.477 7.834 1.00 0.00 O ATOM 211 CB ILE A 16 4.159 -1.572 8.920 1.00 0.00 C ATOM 212 CG1 ILE A 16 5.218 -2.172 9.843 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.548 -0.330 9.553 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.568 -1.502 9.727 1.00 0.00 C ATOM 0 H ILE A 16 4.703 -3.816 8.015 1.00 0.00 H new ATOM 0 HA ILE A 16 2.514 -2.850 9.493 1.00 0.00 H new ATOM 0 HB ILE A 16 4.633 -1.273 7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.873 -2.100 10.874 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.327 -3.233 9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.335 0.391 9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.832 0.116 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.038 -0.605 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.271 -1.979 10.410 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.935 -1.597 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.473 -0.446 9.982 1.00 0.00 H new ATOM 226 N LEU A 17 2.511 -2.275 6.274 1.00 0.00 N ATOM 227 CA LEU A 17 1.751 -1.779 5.141 1.00 0.00 C ATOM 228 C LEU A 17 0.446 -2.547 4.957 1.00 0.00 C ATOM 229 O LEU A 17 -0.615 -1.943 4.828 1.00 0.00 O ATOM 230 CB LEU A 17 2.596 -1.876 3.870 1.00 0.00 C ATOM 231 CG LEU A 17 2.921 -0.545 3.194 1.00 0.00 C ATOM 232 CD1 LEU A 17 2.821 0.602 4.181 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.305 -0.590 2.575 1.00 0.00 C ATOM 0 H LEU A 17 3.350 -2.794 6.016 1.00 0.00 H new ATOM 0 HA LEU A 17 1.498 -0.737 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.532 -2.378 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.072 -2.509 3.154 1.00 0.00 H new ATOM 0 HG LEU A 17 2.190 -0.378 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.057 1.539 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.808 0.651 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.526 0.442 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.521 0.366 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.045 -0.783 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.345 -1.385 1.830 1.00 0.00 H new ATOM 245 N GLU A 18 0.533 -3.875 4.954 1.00 0.00 N ATOM 246 CA GLU A 18 -0.635 -4.729 4.748 1.00 0.00 C ATOM 247 C GLU A 18 -1.701 -4.451 5.796 1.00 0.00 C ATOM 248 O GLU A 18 -2.892 -4.389 5.482 1.00 0.00 O ATOM 249 CB GLU A 18 -0.236 -6.206 4.782 1.00 0.00 C ATOM 250 CG GLU A 18 -0.395 -6.912 3.443 1.00 0.00 C ATOM 251 CD GLU A 18 -1.427 -8.022 3.485 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.263 -8.963 4.288 1.00 0.00 O ATOM 253 OE2 GLU A 18 -2.409 -7.963 2.712 1.00 0.00 O ATOM 0 H GLU A 18 1.405 -4.386 5.093 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.049 -4.501 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.802 -6.286 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.842 -6.720 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.682 -6.183 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.566 -7.327 3.139 1.00 0.00 H new ATOM 260 N TYR A 19 -1.268 -4.272 7.038 1.00 0.00 N ATOM 261 CA TYR A 19 -2.184 -3.944 8.116 1.00 0.00 C ATOM 262 C TYR A 19 -2.805 -2.571 7.879 1.00 0.00 C ATOM 263 O TYR A 19 -4.022 -2.417 7.928 1.00 0.00 O ATOM 264 CB TYR A 19 -1.457 -3.982 9.467 1.00 0.00 C ATOM 265 CG TYR A 19 -2.105 -3.121 10.533 1.00 0.00 C ATOM 266 CD1 TYR A 19 -3.353 -3.444 11.057 1.00 0.00 C ATOM 267 CD2 TYR A 19 -1.471 -1.977 11.005 1.00 0.00 C ATOM 268 CE1 TYR A 19 -3.949 -2.652 12.019 1.00 0.00 C ATOM 269 CE2 TYR A 19 -2.063 -1.180 11.966 1.00 0.00 C ATOM 270 CZ TYR A 19 -3.300 -1.524 12.471 1.00 0.00 C ATOM 271 OH TYR A 19 -3.892 -0.729 13.429 1.00 0.00 O ATOM 0 H TYR A 19 -0.291 -4.349 7.320 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.982 -4.687 8.136 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.418 -5.013 9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.427 -3.654 9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.864 -4.328 10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.501 -1.707 10.614 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.919 -2.916 12.415 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.560 -0.292 12.320 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.302 0.025 13.638 1.00 0.00 H new ATOM 281 N ASN A 20 -1.963 -1.586 7.585 1.00 0.00 N ATOM 282 CA ASN A 20 -2.425 -0.212 7.401 1.00 0.00 C ATOM 283 C ASN A 20 -3.385 -0.108 6.225 1.00 0.00 C ATOM 284 O ASN A 20 -4.524 0.317 6.382 1.00 0.00 O ATOM 285 CB ASN A 20 -1.237 0.729 7.176 1.00 0.00 C ATOM 286 CG ASN A 20 -0.882 1.528 8.415 1.00 0.00 C ATOM 287 OD1 ASN A 20 -1.513 2.537 8.719 1.00 0.00 O ATOM 288 ND2 ASN A 20 0.132 1.081 9.138 1.00 0.00 N ATOM 0 H ASN A 20 -0.957 -1.712 7.469 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.952 0.083 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.371 0.146 6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.470 1.414 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.415 1.579 9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.631 0.239 8.851 1.00 0.00 H new ATOM 295 N PHE A 21 -2.920 -0.540 5.062 1.00 0.00 N ATOM 296 CA PHE A 21 -3.658 -0.407 3.806 1.00 0.00 C ATOM 297 C PHE A 21 -5.055 -1.024 3.899 1.00 0.00 C ATOM 298 O PHE A 21 -6.004 -0.531 3.291 1.00 0.00 O ATOM 299 CB PHE A 21 -2.836 -1.063 2.691 1.00 0.00 C ATOM 300 CG PHE A 21 -3.547 -1.248 1.379 1.00 0.00 C ATOM 301 CD1 PHE A 21 -3.932 -0.158 0.616 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.808 -2.521 0.901 1.00 0.00 C ATOM 303 CE1 PHE A 21 -4.564 -0.336 -0.601 1.00 0.00 C ATOM 304 CE2 PHE A 21 -4.441 -2.705 -0.311 1.00 0.00 C ATOM 305 CZ PHE A 21 -4.819 -1.612 -1.063 1.00 0.00 C ATOM 0 H PHE A 21 -2.014 -0.997 4.958 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.804 0.650 3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.945 -0.459 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.497 -2.038 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.737 0.842 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.512 -3.381 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.858 0.521 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.640 -3.704 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.314 -1.754 -2.012 1.00 0.00 H new ATOM 315 N ASN A 22 -5.179 -2.087 4.676 1.00 0.00 N ATOM 316 CA ASN A 22 -6.452 -2.788 4.814 1.00 0.00 C ATOM 317 C ASN A 22 -7.416 -2.034 5.729 1.00 0.00 C ATOM 318 O ASN A 22 -8.625 -2.285 5.709 1.00 0.00 O ATOM 319 CB ASN A 22 -6.224 -4.194 5.375 1.00 0.00 C ATOM 320 CG ASN A 22 -6.142 -5.254 4.298 1.00 0.00 C ATOM 321 OD1 ASN A 22 -7.153 -5.638 3.705 1.00 0.00 O ATOM 322 ND2 ASN A 22 -4.936 -5.736 4.040 1.00 0.00 N ATOM 0 H ASN A 22 -4.416 -2.486 5.222 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.897 -2.851 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.302 -4.202 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.035 -4.442 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.816 -6.454 3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.127 -5.389 4.555 1.00 0.00 H new ATOM 329 N LYS A 23 -6.891 -1.109 6.524 1.00 0.00 N ATOM 330 CA LYS A 23 -7.689 -0.464 7.565 1.00 0.00 C ATOM 331 C LYS A 23 -7.841 1.043 7.352 1.00 0.00 C ATOM 332 O LYS A 23 -8.942 1.582 7.496 1.00 0.00 O ATOM 333 CB LYS A 23 -7.070 -0.722 8.946 1.00 0.00 C ATOM 334 CG LYS A 23 -6.774 -2.190 9.239 1.00 0.00 C ATOM 335 CD LYS A 23 -8.025 -3.051 9.181 1.00 0.00 C ATOM 336 CE LYS A 23 -8.800 -3.006 10.487 1.00 0.00 C ATOM 337 NZ LYS A 23 -10.231 -2.673 10.269 1.00 0.00 N ATOM 0 H LYS A 23 -5.924 -0.789 6.470 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.684 -0.904 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.143 -0.154 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.746 -0.340 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.045 -2.562 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.320 -2.277 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.664 -2.710 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.748 -4.081 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.724 -3.971 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.352 -2.266 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.726 -2.652 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.305 -1.741 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.666 -3.393 9.657 1.00 0.00 H new ATOM 351 N VAL A 24 -6.749 1.723 7.014 1.00 0.00 N ATOM 352 CA VAL A 24 -6.739 3.184 6.994 1.00 0.00 C ATOM 353 C VAL A 24 -7.534 3.765 5.819 1.00 0.00 C ATOM 354 O VAL A 24 -8.502 4.499 6.022 1.00 0.00 O ATOM 355 CB VAL A 24 -5.294 3.755 7.001 1.00 0.00 C ATOM 356 CG1 VAL A 24 -4.450 3.211 5.858 1.00 0.00 C ATOM 357 CG2 VAL A 24 -5.319 5.269 6.954 1.00 0.00 C ATOM 0 H VAL A 24 -5.864 1.290 6.751 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.236 3.495 7.913 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.830 3.430 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.450 3.641 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.383 2.126 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.912 3.476 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.298 5.650 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.824 5.597 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.854 5.651 7.824 1.00 0.00 H new ATOM 367 N ASN A 25 -7.138 3.441 4.599 1.00 0.00 N ATOM 368 CA ASN A 25 -7.751 4.040 3.422 1.00 0.00 C ATOM 369 C ASN A 25 -7.598 3.133 2.213 1.00 0.00 C ATOM 370 O ASN A 25 -6.531 2.567 1.986 1.00 0.00 O ATOM 371 CB ASN A 25 -7.111 5.402 3.127 1.00 0.00 C ATOM 372 CG ASN A 25 -8.097 6.554 3.228 1.00 0.00 C ATOM 373 OD1 ASN A 25 -9.238 6.453 2.773 1.00 0.00 O ATOM 374 ND2 ASN A 25 -7.659 7.659 3.818 1.00 0.00 N ATOM 0 H ASN A 25 -6.398 2.769 4.397 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.813 4.176 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.290 5.571 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.680 5.386 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.275 8.467 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.707 7.700 4.181 1.00 0.00 H new ATOM 381 N LYS A 26 -8.667 3.000 1.437 1.00 0.00 N ATOM 382 CA LYS A 26 -8.632 2.196 0.225 1.00 0.00 C ATOM 383 C LYS A 26 -8.268 3.059 -0.977 1.00 0.00 C ATOM 384 O LYS A 26 -8.293 2.607 -2.119 1.00 0.00 O ATOM 385 CB LYS A 26 -9.980 1.512 -0.003 1.00 0.00 C ATOM 386 CG LYS A 26 -10.045 0.098 0.549 1.00 0.00 C ATOM 387 CD LYS A 26 -9.564 -0.921 -0.471 1.00 0.00 C ATOM 388 CE LYS A 26 -9.477 -2.315 0.134 1.00 0.00 C ATOM 389 NZ LYS A 26 -10.770 -2.739 0.742 1.00 0.00 N ATOM 0 H LYS A 26 -9.568 3.439 1.627 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.869 1.427 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.765 2.110 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.188 1.486 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.434 0.029 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.070 -0.133 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.244 -0.934 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.585 -0.625 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.188 -3.028 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.696 -2.333 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.723 -3.748 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.950 -2.180 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.541 -2.586 0.061 1.00 0.00 H new ATOM 403 N HIS A 27 -7.957 4.317 -0.710 1.00 0.00 N ATOM 404 CA HIS A 27 -7.483 5.225 -1.738 1.00 0.00 C ATOM 405 C HIS A 27 -6.376 6.103 -1.173 1.00 0.00 C ATOM 406 O HIS A 27 -6.601 6.853 -0.224 1.00 0.00 O ATOM 407 CB HIS A 27 -8.624 6.091 -2.280 1.00 0.00 C ATOM 408 CG HIS A 27 -8.556 6.297 -3.763 1.00 0.00 C ATOM 409 ND1 HIS A 27 -9.650 6.180 -4.590 1.00 0.00 N ATOM 410 CD2 HIS A 27 -7.510 6.596 -4.572 1.00 0.00 C ATOM 411 CE1 HIS A 27 -9.281 6.393 -5.837 1.00 0.00 C ATOM 412 NE2 HIS A 27 -7.989 6.649 -5.854 1.00 0.00 N ATOM 0 H HIS A 27 -8.026 4.734 0.218 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.090 4.635 -2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.577 5.625 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.602 7.061 -1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.489 6.762 -4.263 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.929 6.363 -6.700 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.436 6.853 -6.686 1.00 0.00 H new ATOM 421 N PRO A 28 -5.161 5.995 -1.728 1.00 0.00 N ATOM 422 CA PRO A 28 -4.008 6.784 -1.283 1.00 0.00 C ATOM 423 C PRO A 28 -4.248 8.286 -1.397 1.00 0.00 C ATOM 424 O PRO A 28 -4.531 8.804 -2.481 1.00 0.00 O ATOM 425 CB PRO A 28 -2.881 6.351 -2.232 1.00 0.00 C ATOM 426 CG PRO A 28 -3.313 5.028 -2.760 1.00 0.00 C ATOM 427 CD PRO A 28 -4.811 5.080 -2.824 1.00 0.00 C ATOM 0 HA PRO A 28 -3.786 6.610 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.744 7.072 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.929 6.275 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.886 4.843 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.978 4.220 -2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.160 5.452 -3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.255 4.094 -2.683 1.00 0.00 H new ATOM 435 N ASP A 29 -4.148 8.975 -0.271 1.00 0.00 N ATOM 436 CA ASP A 29 -4.256 10.427 -0.243 1.00 0.00 C ATOM 437 C ASP A 29 -2.982 11.016 0.349 1.00 0.00 C ATOM 438 O ASP A 29 -2.382 10.418 1.245 1.00 0.00 O ATOM 439 CB ASP A 29 -5.501 10.871 0.550 1.00 0.00 C ATOM 440 CG ASP A 29 -5.199 11.868 1.663 1.00 0.00 C ATOM 441 OD1 ASP A 29 -5.050 13.071 1.371 1.00 0.00 O ATOM 442 OD2 ASP A 29 -5.126 11.456 2.837 1.00 0.00 O ATOM 0 H ASP A 29 -3.991 8.549 0.642 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.374 10.798 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.219 11.316 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.977 9.991 0.983 1.00 0.00 H new ATOM 447 N PRO A 30 -2.555 12.188 -0.150 1.00 0.00 N ATOM 448 CA PRO A 30 -1.301 12.831 0.263 1.00 0.00 C ATOM 449 C PRO A 30 -1.202 13.010 1.777 1.00 0.00 C ATOM 450 O PRO A 30 -0.148 12.773 2.369 1.00 0.00 O ATOM 451 CB PRO A 30 -1.332 14.198 -0.442 1.00 0.00 C ATOM 452 CG PRO A 30 -2.734 14.371 -0.923 1.00 0.00 C ATOM 453 CD PRO A 30 -3.268 12.990 -1.155 1.00 0.00 C ATOM 0 HA PRO A 30 -0.436 12.224 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.051 14.998 0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.627 14.227 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.336 14.903 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.761 14.959 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.348 12.946 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.064 12.643 -2.168 1.00 0.00 H new ATOM 461 N THR A 31 -2.310 13.400 2.397 1.00 0.00 N ATOM 462 CA THR A 31 -2.330 13.645 3.831 1.00 0.00 C ATOM 463 C THR A 31 -2.083 12.355 4.612 1.00 0.00 C ATOM 464 O THR A 31 -1.199 12.298 5.469 1.00 0.00 O ATOM 465 CB THR A 31 -3.679 14.256 4.263 1.00 0.00 C ATOM 466 OG1 THR A 31 -4.298 14.913 3.143 1.00 0.00 O ATOM 467 CG2 THR A 31 -3.486 15.249 5.397 1.00 0.00 C ATOM 0 H THR A 31 -3.203 13.553 1.929 1.00 0.00 H new ATOM 0 HA THR A 31 -1.530 14.351 4.054 1.00 0.00 H new ATOM 0 HB THR A 31 -4.323 13.450 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.850 14.270 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.451 15.666 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.041 14.742 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.827 16.053 5.069 1.00 0.00 H new ATOM 475 N THR A 32 -2.840 11.315 4.281 1.00 0.00 N ATOM 476 CA THR A 32 -2.698 10.022 4.933 1.00 0.00 C ATOM 477 C THR A 32 -1.311 9.438 4.687 1.00 0.00 C ATOM 478 O THR A 32 -0.647 8.973 5.614 1.00 0.00 O ATOM 479 CB THR A 32 -3.759 9.024 4.424 1.00 0.00 C ATOM 480 OG1 THR A 32 -5.072 9.565 4.594 1.00 0.00 O ATOM 481 CG2 THR A 32 -3.653 7.698 5.159 1.00 0.00 C ATOM 0 H THR A 32 -3.562 11.345 3.561 1.00 0.00 H new ATOM 0 HA THR A 32 -2.839 10.183 6.002 1.00 0.00 H new ATOM 0 HB THR A 32 -3.576 8.850 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.313 10.092 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.411 7.012 4.782 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.664 7.270 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.808 7.860 6.226 1.00 0.00 H new ATOM 489 N LEU A 33 -0.876 9.503 3.436 1.00 0.00 N ATOM 490 CA LEU A 33 0.369 8.878 3.011 1.00 0.00 C ATOM 491 C LEU A 33 1.563 9.387 3.810 1.00 0.00 C ATOM 492 O LEU A 33 2.420 8.606 4.218 1.00 0.00 O ATOM 493 CB LEU A 33 0.597 9.119 1.519 1.00 0.00 C ATOM 494 CG LEU A 33 0.489 7.871 0.642 1.00 0.00 C ATOM 495 CD1 LEU A 33 1.565 6.865 1.014 1.00 0.00 C ATOM 496 CD2 LEU A 33 -0.893 7.245 0.768 1.00 0.00 C ATOM 0 H LEU A 33 -1.374 9.988 2.690 1.00 0.00 H new ATOM 0 HA LEU A 33 0.279 7.808 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.127 9.855 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.586 9.556 1.383 1.00 0.00 H new ATOM 0 HG LEU A 33 0.638 8.167 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.473 5.983 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.548 7.314 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.447 6.575 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.950 6.358 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.072 6.963 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.648 7.964 0.452 1.00 0.00 H new ATOM 508 N CYS A 34 1.603 10.687 4.052 1.00 0.00 N ATOM 509 CA CYS A 34 2.739 11.294 4.727 1.00 0.00 C ATOM 510 C CYS A 34 2.855 10.838 6.183 1.00 0.00 C ATOM 511 O CYS A 34 3.956 10.552 6.659 1.00 0.00 O ATOM 512 CB CYS A 34 2.647 12.818 4.647 1.00 0.00 C ATOM 513 SG CYS A 34 2.981 13.475 2.996 1.00 0.00 S ATOM 0 H CYS A 34 0.865 11.341 3.792 1.00 0.00 H new ATOM 0 HA CYS A 34 3.642 10.962 4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.651 13.131 4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.354 13.254 5.353 1.00 0.00 H new ATOM 0 HG CYS A 34 4.083 12.959 2.538 1.00 0.00 H new ATOM 519 N LEU A 35 1.732 10.745 6.890 1.00 0.00 N ATOM 520 CA LEU A 35 1.781 10.362 8.297 1.00 0.00 C ATOM 521 C LEU A 35 2.018 8.864 8.454 1.00 0.00 C ATOM 522 O LEU A 35 2.824 8.453 9.283 1.00 0.00 O ATOM 523 CB LEU A 35 0.521 10.794 9.065 1.00 0.00 C ATOM 524 CG LEU A 35 -0.803 10.726 8.302 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.607 9.511 8.739 1.00 0.00 C ATOM 526 CD2 LEU A 35 -1.607 12.001 8.527 1.00 0.00 C ATOM 0 H LEU A 35 0.798 10.925 6.523 1.00 0.00 H new ATOM 0 HA LEU A 35 2.626 10.894 8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.434 10.170 9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.665 11.819 9.407 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.586 10.632 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.546 9.478 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.035 8.605 8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.817 9.578 9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.547 11.940 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.814 12.117 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.035 12.859 8.173 1.00 0.00 H new ATOM 538 N ILE A 36 1.345 8.046 7.646 1.00 0.00 N ATOM 539 CA ILE A 36 1.482 6.594 7.765 1.00 0.00 C ATOM 540 C ILE A 36 2.885 6.134 7.377 1.00 0.00 C ATOM 541 O ILE A 36 3.408 5.170 7.940 1.00 0.00 O ATOM 542 CB ILE A 36 0.438 5.822 6.925 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.556 6.178 5.443 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.966 6.102 7.435 1.00 0.00 C ATOM 545 CD1 ILE A 36 0.169 5.051 4.515 1.00 0.00 C ATOM 0 H ILE A 36 0.708 8.357 6.912 1.00 0.00 H new ATOM 0 HA ILE A 36 1.302 6.365 8.815 1.00 0.00 H new ATOM 0 HB ILE A 36 0.638 4.756 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.076 7.042 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.583 6.475 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.688 5.551 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.045 5.786 8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.173 7.170 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.278 5.378 3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.817 4.193 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.867 4.768 4.699 1.00 0.00 H new ATOM 557 N ALA A 37 3.495 6.831 6.421 1.00 0.00 N ATOM 558 CA ALA A 37 4.866 6.541 6.026 1.00 0.00 C ATOM 559 C ALA A 37 5.804 6.778 7.200 1.00 0.00 C ATOM 560 O ALA A 37 6.663 5.949 7.507 1.00 0.00 O ATOM 561 CB ALA A 37 5.275 7.397 4.837 1.00 0.00 C ATOM 0 H ALA A 37 3.061 7.598 5.908 1.00 0.00 H new ATOM 0 HA ALA A 37 4.930 5.494 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.303 7.165 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.615 7.190 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.201 8.451 5.105 1.00 0.00 H new ATOM 567 N ALA A 38 5.610 7.909 7.869 1.00 0.00 N ATOM 568 CA ALA A 38 6.399 8.250 9.045 1.00 0.00 C ATOM 569 C ALA A 38 6.137 7.266 10.181 1.00 0.00 C ATOM 570 O ALA A 38 7.056 6.878 10.900 1.00 0.00 O ATOM 571 CB ALA A 38 6.096 9.670 9.495 1.00 0.00 C ATOM 0 H ALA A 38 4.911 8.607 7.615 1.00 0.00 H new ATOM 0 HA ALA A 38 7.453 8.186 8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.694 9.908 10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.339 10.366 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.038 9.756 9.742 1.00 0.00 H new ATOM 577 N GLU A 39 4.882 6.857 10.329 1.00 0.00 N ATOM 578 CA GLU A 39 4.502 5.879 11.344 1.00 0.00 C ATOM 579 C GLU A 39 5.244 4.563 11.134 1.00 0.00 C ATOM 580 O GLU A 39 5.686 3.929 12.091 1.00 0.00 O ATOM 581 CB GLU A 39 2.991 5.629 11.309 1.00 0.00 C ATOM 582 CG GLU A 39 2.160 6.804 11.797 1.00 0.00 C ATOM 583 CD GLU A 39 2.356 7.080 13.270 1.00 0.00 C ATOM 584 OE1 GLU A 39 3.319 7.788 13.625 1.00 0.00 O ATOM 585 OE2 GLU A 39 1.543 6.591 14.085 1.00 0.00 O ATOM 0 H GLU A 39 4.106 7.189 9.756 1.00 0.00 H new ATOM 0 HA GLU A 39 4.775 6.284 12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.696 5.388 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.763 4.756 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.424 7.694 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.106 6.604 11.605 1.00 0.00 H new ATOM 592 N ALA A 40 5.380 4.160 9.879 1.00 0.00 N ATOM 593 CA ALA A 40 6.069 2.922 9.546 1.00 0.00 C ATOM 594 C ALA A 40 7.583 3.105 9.574 1.00 0.00 C ATOM 595 O ALA A 40 8.334 2.131 9.671 1.00 0.00 O ATOM 596 CB ALA A 40 5.618 2.423 8.182 1.00 0.00 C ATOM 0 H ALA A 40 5.022 4.673 9.074 1.00 0.00 H new ATOM 0 HA ALA A 40 5.811 2.177 10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.140 1.496 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.543 2.241 8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.847 3.174 7.426 1.00 0.00 H new ATOM 602 N GLY A 41 8.022 4.354 9.480 1.00 0.00 N ATOM 603 CA GLY A 41 9.441 4.651 9.479 1.00 0.00 C ATOM 604 C GLY A 41 10.051 4.489 8.104 1.00 0.00 C ATOM 605 O GLY A 41 11.253 4.256 7.973 1.00 0.00 O ATOM 0 H GLY A 41 7.416 5.171 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.598 5.672 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.950 3.992 10.182 1.00 0.00 H new ATOM 609 N LEU A 42 9.225 4.628 7.077 1.00 0.00 N ATOM 610 CA LEU A 42 9.655 4.403 5.706 1.00 0.00 C ATOM 611 C LEU A 42 9.312 5.614 4.841 1.00 0.00 C ATOM 612 O LEU A 42 8.560 6.488 5.270 1.00 0.00 O ATOM 613 CB LEU A 42 9.009 3.118 5.175 1.00 0.00 C ATOM 614 CG LEU A 42 8.018 3.276 4.026 1.00 0.00 C ATOM 615 CD1 LEU A 42 8.515 2.508 2.817 1.00 0.00 C ATOM 616 CD2 LEU A 42 6.641 2.790 4.440 1.00 0.00 C ATOM 0 H LEU A 42 8.246 4.898 7.170 1.00 0.00 H new ATOM 0 HA LEU A 42 10.737 4.277 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.804 2.447 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.496 2.628 6.002 1.00 0.00 H new ATOM 0 HG LEU A 42 7.938 4.332 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.806 2.622 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.487 2.897 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.610 1.452 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.947 2.910 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.695 1.737 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.290 3.373 5.292 1.00 0.00 H new ATOM 628 N THR A 43 9.875 5.673 3.643 1.00 0.00 N ATOM 629 CA THR A 43 9.701 6.838 2.781 1.00 0.00 C ATOM 630 C THR A 43 8.352 6.819 2.061 1.00 0.00 C ATOM 631 O THR A 43 7.767 5.759 1.838 1.00 0.00 O ATOM 632 CB THR A 43 10.833 6.954 1.749 1.00 0.00 C ATOM 633 OG1 THR A 43 11.240 5.656 1.303 1.00 0.00 O ATOM 634 CG2 THR A 43 12.025 7.690 2.339 1.00 0.00 C ATOM 0 H THR A 43 10.454 4.933 3.245 1.00 0.00 H new ATOM 0 HA THR A 43 9.732 7.709 3.435 1.00 0.00 H new ATOM 0 HB THR A 43 10.456 7.521 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.960 5.747 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.815 7.761 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.721 8.692 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.395 7.146 3.208 1.00 0.00 H new ATOM 642 N GLU A 44 7.904 8.007 1.667 1.00 0.00 N ATOM 643 CA GLU A 44 6.557 8.224 1.138 1.00 0.00 C ATOM 644 C GLU A 44 6.307 7.468 -0.168 1.00 0.00 C ATOM 645 O GLU A 44 5.263 6.834 -0.338 1.00 0.00 O ATOM 646 CB GLU A 44 6.338 9.721 0.898 1.00 0.00 C ATOM 647 CG GLU A 44 6.499 10.578 2.147 1.00 0.00 C ATOM 648 CD GLU A 44 6.667 12.051 1.827 1.00 0.00 C ATOM 649 OE1 GLU A 44 5.644 12.760 1.701 1.00 0.00 O ATOM 650 OE2 GLU A 44 7.822 12.513 1.700 1.00 0.00 O ATOM 0 H GLU A 44 8.469 8.855 1.705 1.00 0.00 H new ATOM 0 HA GLU A 44 5.855 7.842 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.043 10.064 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.337 9.871 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.627 10.447 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.365 10.232 2.711 1.00 0.00 H new ATOM 657 N GLU A 45 7.263 7.542 -1.087 1.00 0.00 N ATOM 658 CA GLU A 45 7.092 6.984 -2.428 1.00 0.00 C ATOM 659 C GLU A 45 6.822 5.486 -2.382 1.00 0.00 C ATOM 660 O GLU A 45 5.931 4.986 -3.072 1.00 0.00 O ATOM 661 CB GLU A 45 8.326 7.265 -3.287 1.00 0.00 C ATOM 662 CG GLU A 45 8.454 8.719 -3.706 1.00 0.00 C ATOM 663 CD GLU A 45 9.171 9.565 -2.673 1.00 0.00 C ATOM 664 OE1 GLU A 45 10.007 9.019 -1.922 1.00 0.00 O ATOM 665 OE2 GLU A 45 8.899 10.780 -2.605 1.00 0.00 O ATOM 0 H GLU A 45 8.169 7.984 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 45 6.225 7.470 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.219 6.975 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.288 6.640 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.993 8.774 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.460 9.131 -3.881 1.00 0.00 H new ATOM 672 N GLN A 46 7.577 4.777 -1.554 1.00 0.00 N ATOM 673 CA GLN A 46 7.443 3.328 -1.453 1.00 0.00 C ATOM 674 C GLN A 46 6.080 2.947 -0.882 1.00 0.00 C ATOM 675 O GLN A 46 5.496 1.938 -1.278 1.00 0.00 O ATOM 676 CB GLN A 46 8.558 2.734 -0.589 1.00 0.00 C ATOM 677 CG GLN A 46 9.873 3.484 -0.684 1.00 0.00 C ATOM 678 CD GLN A 46 11.073 2.567 -0.588 1.00 0.00 C ATOM 679 OE1 GLN A 46 11.376 1.822 -1.518 1.00 0.00 O ATOM 680 NE2 GLN A 46 11.768 2.619 0.536 1.00 0.00 N ATOM 0 H GLN A 46 8.288 5.180 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 46 7.527 2.917 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.232 2.722 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.720 1.697 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.910 4.027 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.922 4.226 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.482 3.252 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.590 2.027 0.655 1.00 0.00 H new ATOM 689 N THR A 47 5.572 3.763 0.038 1.00 0.00 N ATOM 690 CA THR A 47 4.267 3.519 0.638 1.00 0.00 C ATOM 691 C THR A 47 3.161 3.642 -0.404 1.00 0.00 C ATOM 692 O THR A 47 2.312 2.758 -0.529 1.00 0.00 O ATOM 693 CB THR A 47 3.983 4.503 1.785 1.00 0.00 C ATOM 694 OG1 THR A 47 5.207 5.073 2.257 1.00 0.00 O ATOM 695 CG2 THR A 47 3.265 3.813 2.929 1.00 0.00 C ATOM 0 H THR A 47 6.045 4.598 0.383 1.00 0.00 H new ATOM 0 HA THR A 47 4.283 2.505 1.037 1.00 0.00 H new ATOM 0 HB THR A 47 3.339 5.294 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.180 5.142 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.077 4.532 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.317 3.409 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.885 3.002 3.311 1.00 0.00 H new ATOM 703 N GLN A 48 3.192 4.732 -1.163 1.00 0.00 N ATOM 704 CA GLN A 48 2.178 4.986 -2.178 1.00 0.00 C ATOM 705 C GLN A 48 2.245 3.946 -3.291 1.00 0.00 C ATOM 706 O GLN A 48 1.215 3.452 -3.751 1.00 0.00 O ATOM 707 CB GLN A 48 2.349 6.388 -2.760 1.00 0.00 C ATOM 708 CG GLN A 48 1.053 7.002 -3.253 1.00 0.00 C ATOM 709 CD GLN A 48 1.271 7.958 -4.403 1.00 0.00 C ATOM 710 OE1 GLN A 48 1.798 7.582 -5.447 1.00 0.00 O ATOM 711 NE2 GLN A 48 0.862 9.200 -4.223 1.00 0.00 N ATOM 0 H GLN A 48 3.909 5.454 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 48 1.200 4.916 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.783 7.038 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.059 6.345 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.374 6.209 -3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.568 7.530 -2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.429 9.471 -3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.979 9.888 -4.967 1.00 0.00 H new ATOM 720 N LYS A 49 3.460 3.609 -3.712 1.00 0.00 N ATOM 721 CA LYS A 49 3.663 2.592 -4.736 1.00 0.00 C ATOM 722 C LYS A 49 3.091 1.255 -4.281 1.00 0.00 C ATOM 723 O LYS A 49 2.449 0.543 -5.057 1.00 0.00 O ATOM 724 CB LYS A 49 5.154 2.435 -5.044 1.00 0.00 C ATOM 725 CG LYS A 49 5.656 3.365 -6.137 1.00 0.00 C ATOM 726 CD LYS A 49 5.310 2.839 -7.520 1.00 0.00 C ATOM 727 CE LYS A 49 6.347 1.843 -8.014 1.00 0.00 C ATOM 728 NZ LYS A 49 5.718 0.655 -8.649 1.00 0.00 N ATOM 0 H LYS A 49 4.321 4.027 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 49 3.144 2.911 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.725 2.618 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.348 1.404 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.219 4.354 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.736 3.480 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.330 2.363 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.241 3.672 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.006 2.331 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.968 1.521 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.459 0.001 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.109 0.174 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.146 0.958 -9.463 1.00 0.00 H new ATOM 742 N TRP A 50 3.322 0.927 -3.017 1.00 0.00 N ATOM 743 CA TRP A 50 2.837 -0.320 -2.449 1.00 0.00 C ATOM 744 C TRP A 50 1.314 -0.298 -2.308 1.00 0.00 C ATOM 745 O TRP A 50 0.637 -1.269 -2.649 1.00 0.00 O ATOM 746 CB TRP A 50 3.496 -0.574 -1.092 1.00 0.00 C ATOM 747 CG TRP A 50 3.181 -1.917 -0.515 1.00 0.00 C ATOM 748 CD1 TRP A 50 3.954 -3.038 -0.573 1.00 0.00 C ATOM 749 CD2 TRP A 50 2.009 -2.276 0.216 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.332 -4.070 0.083 1.00 0.00 N ATOM 751 CE2 TRP A 50 2.132 -3.628 0.568 1.00 0.00 C ATOM 752 CE3 TRP A 50 0.865 -1.580 0.599 1.00 0.00 C ATOM 753 CZ2 TRP A 50 1.151 -4.297 1.291 1.00 0.00 C ATOM 754 CZ3 TRP A 50 -0.101 -2.238 1.312 1.00 0.00 C ATOM 755 CH2 TRP A 50 0.041 -3.586 1.652 1.00 0.00 C ATOM 0 H TRP A 50 3.845 1.511 -2.364 1.00 0.00 H new ATOM 0 HA TRP A 50 3.103 -1.132 -3.126 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.577 -0.478 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.175 0.197 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.914 -3.104 -1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.704 -5.014 0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.742 -0.539 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.262 -5.338 1.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.989 -1.705 1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.742 -4.076 2.211 1.00 0.00 H new ATOM 766 N PHE A 51 0.778 0.807 -1.807 1.00 0.00 N ATOM 767 CA PHE A 51 -0.667 0.948 -1.649 1.00 0.00 C ATOM 768 C PHE A 51 -1.358 0.768 -3.001 1.00 0.00 C ATOM 769 O PHE A 51 -2.469 0.251 -3.082 1.00 0.00 O ATOM 770 CB PHE A 51 -1.012 2.326 -1.058 1.00 0.00 C ATOM 771 CG PHE A 51 -1.185 2.332 0.442 1.00 0.00 C ATOM 772 CD1 PHE A 51 -0.218 1.781 1.264 1.00 0.00 C ATOM 773 CD2 PHE A 51 -2.316 2.889 1.025 1.00 0.00 C ATOM 774 CE1 PHE A 51 -0.371 1.781 2.637 1.00 0.00 C ATOM 775 CE2 PHE A 51 -2.475 2.891 2.399 1.00 0.00 C ATOM 776 CZ PHE A 51 -1.500 2.335 3.205 1.00 0.00 C ATOM 0 H PHE A 51 1.318 1.617 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.021 0.179 -0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.224 3.030 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.931 2.687 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.668 1.345 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.080 3.325 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.393 1.348 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.359 3.326 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.621 2.334 4.278 1.00 0.00 H new ATOM 786 N LYS A 52 -0.669 1.175 -4.063 1.00 0.00 N ATOM 787 CA LYS A 52 -1.207 1.084 -5.413 1.00 0.00 C ATOM 788 C LYS A 52 -1.148 -0.340 -5.964 1.00 0.00 C ATOM 789 O LYS A 52 -2.100 -0.803 -6.595 1.00 0.00 O ATOM 790 CB LYS A 52 -0.449 2.023 -6.344 1.00 0.00 C ATOM 791 CG LYS A 52 -1.319 3.117 -6.927 1.00 0.00 C ATOM 792 CD LYS A 52 -1.281 4.371 -6.072 1.00 0.00 C ATOM 793 CE LYS A 52 -1.843 5.565 -6.819 1.00 0.00 C ATOM 794 NZ LYS A 52 -1.076 5.860 -8.055 1.00 0.00 N ATOM 0 H LYS A 52 0.269 1.573 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.256 1.377 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.377 2.478 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.012 1.443 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.982 3.353 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.346 2.762 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.853 4.208 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.254 4.578 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.885 5.374 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.830 6.439 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.202 6.860 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.067 5.669 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.421 5.258 -8.830 1.00 0.00 H new ATOM 808 N GLN A 53 -0.036 -1.036 -5.732 1.00 0.00 N ATOM 809 CA GLN A 53 0.119 -2.398 -6.246 1.00 0.00 C ATOM 810 C GLN A 53 -0.889 -3.332 -5.583 1.00 0.00 C ATOM 811 O GLN A 53 -1.400 -4.261 -6.209 1.00 0.00 O ATOM 812 CB GLN A 53 1.553 -2.920 -6.049 1.00 0.00 C ATOM 813 CG GLN A 53 2.034 -2.913 -4.606 1.00 0.00 C ATOM 814 CD GLN A 53 2.850 -4.141 -4.244 1.00 0.00 C ATOM 815 OE1 GLN A 53 2.320 -5.111 -3.699 1.00 0.00 O ATOM 816 NE2 GLN A 53 4.143 -4.105 -4.529 1.00 0.00 N ATOM 0 H GLN A 53 0.761 -0.687 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.075 -2.373 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.611 -3.938 -6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.232 -2.314 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.636 -2.021 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.172 -2.848 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.543 -3.283 -4.981 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.739 -4.900 -4.297 1.00 0.00 H new ATOM 825 N ARG A 54 -1.197 -3.061 -4.324 1.00 0.00 N ATOM 826 CA ARG A 54 -2.177 -3.855 -3.601 1.00 0.00 C ATOM 827 C ARG A 54 -3.584 -3.434 -3.970 1.00 0.00 C ATOM 828 O ARG A 54 -4.515 -4.220 -3.869 1.00 0.00 O ATOM 829 CB ARG A 54 -1.969 -3.723 -2.104 1.00 0.00 C ATOM 830 CG ARG A 54 -0.611 -4.209 -1.669 1.00 0.00 C ATOM 831 CD ARG A 54 -0.607 -5.716 -1.454 1.00 0.00 C ATOM 832 NE ARG A 54 0.646 -6.346 -1.867 1.00 0.00 N ATOM 833 CZ ARG A 54 0.960 -7.615 -1.600 1.00 0.00 C ATOM 834 NH1 ARG A 54 0.110 -8.388 -0.939 1.00 0.00 N ATOM 835 NH2 ARG A 54 2.122 -8.115 -2.000 1.00 0.00 N ATOM 0 H ARG A 54 -0.784 -2.300 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.042 -4.899 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.089 -2.679 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.740 -4.290 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.131 -3.945 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.321 -3.707 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.784 -5.928 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.432 -6.160 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 54 1.318 -5.784 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.788 -8.013 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.354 -9.358 -0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.780 -7.529 -2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.358 -9.086 -1.794 1.00 0.00 H new ATOM 849 N LEU A 55 -3.730 -2.187 -4.392 1.00 0.00 N ATOM 850 CA LEU A 55 -5.014 -1.698 -4.887 1.00 0.00 C ATOM 851 C LEU A 55 -5.423 -2.486 -6.128 1.00 0.00 C ATOM 852 O LEU A 55 -6.586 -2.854 -6.295 1.00 0.00 O ATOM 853 CB LEU A 55 -4.932 -0.205 -5.214 1.00 0.00 C ATOM 854 CG LEU A 55 -6.264 0.547 -5.161 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.931 0.358 -3.808 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.050 2.025 -5.441 1.00 0.00 C ATOM 0 H LEU A 55 -2.980 -1.495 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.765 -1.838 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.239 0.266 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.508 -0.090 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.920 0.138 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.877 0.900 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.117 -0.703 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.278 0.741 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.007 2.545 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.377 2.443 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.613 2.148 -6.432 1.00 0.00 H new ATOM 868 N ALA A 56 -4.447 -2.753 -6.989 1.00 0.00 N ATOM 869 CA ALA A 56 -4.674 -3.557 -8.178 1.00 0.00 C ATOM 870 C ALA A 56 -4.964 -5.005 -7.796 1.00 0.00 C ATOM 871 O ALA A 56 -5.833 -5.651 -8.383 1.00 0.00 O ATOM 872 CB ALA A 56 -3.466 -3.481 -9.099 1.00 0.00 C ATOM 0 H ALA A 56 -3.488 -2.422 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.542 -3.162 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.647 -4.087 -9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.298 -2.445 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.586 -3.856 -8.577 1.00 0.00 H new ATOM 878 N GLU A 57 -4.237 -5.501 -6.800 1.00 0.00 N ATOM 879 CA GLU A 57 -4.416 -6.864 -6.310 1.00 0.00 C ATOM 880 C GLU A 57 -5.783 -7.032 -5.644 1.00 0.00 C ATOM 881 O GLU A 57 -6.450 -8.055 -5.814 1.00 0.00 O ATOM 882 CB GLU A 57 -3.304 -7.204 -5.314 1.00 0.00 C ATOM 883 CG GLU A 57 -3.479 -8.550 -4.628 1.00 0.00 C ATOM 884 CD GLU A 57 -2.190 -9.336 -4.542 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.485 -9.454 -5.569 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.880 -9.853 -3.452 1.00 0.00 O ATOM 0 H GLU A 57 -3.512 -4.974 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.366 -7.546 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.347 -7.195 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.259 -6.424 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.871 -8.392 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.221 -9.136 -5.171 1.00 0.00 H new ATOM 893 N TRP A 58 -6.191 -6.012 -4.899 1.00 0.00 N ATOM 894 CA TRP A 58 -7.461 -6.018 -4.181 1.00 0.00 C ATOM 895 C TRP A 58 -8.619 -6.279 -5.137 1.00 0.00 C ATOM 896 O TRP A 58 -9.541 -7.030 -4.824 1.00 0.00 O ATOM 897 CB TRP A 58 -7.650 -4.677 -3.443 1.00 0.00 C ATOM 898 CG TRP A 58 -9.082 -4.239 -3.304 1.00 0.00 C ATOM 899 CD1 TRP A 58 -10.044 -4.824 -2.535 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.712 -3.122 -3.948 1.00 0.00 C ATOM 901 NE1 TRP A 58 -11.232 -4.151 -2.673 1.00 0.00 N ATOM 902 CE2 TRP A 58 -11.053 -3.101 -3.527 1.00 0.00 C ATOM 903 CE3 TRP A 58 -9.274 -2.138 -4.835 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -11.959 -2.140 -3.966 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -10.175 -1.185 -5.270 1.00 0.00 C ATOM 906 CH2 TRP A 58 -11.501 -1.190 -4.834 1.00 0.00 C ATOM 0 H TRP A 58 -5.650 -5.156 -4.775 1.00 0.00 H new ATOM 0 HA TRP A 58 -7.447 -6.823 -3.446 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.210 -4.758 -2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.096 -3.903 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.893 -5.691 -1.909 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -12.108 -4.396 -2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.249 -2.122 -5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.986 -2.145 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.847 -0.422 -5.960 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.178 -0.428 -5.190 1.00 0.00 H new ATOM 917 N ARG A 59 -8.541 -5.684 -6.317 1.00 0.00 N ATOM 918 CA ARG A 59 -9.598 -5.811 -7.310 1.00 0.00 C ATOM 919 C ARG A 59 -9.715 -7.245 -7.817 1.00 0.00 C ATOM 920 O ARG A 59 -10.750 -7.639 -8.350 1.00 0.00 O ATOM 921 CB ARG A 59 -9.343 -4.862 -8.476 1.00 0.00 C ATOM 922 CG ARG A 59 -9.536 -3.399 -8.117 1.00 0.00 C ATOM 923 CD ARG A 59 -9.917 -2.574 -9.338 1.00 0.00 C ATOM 924 NE ARG A 59 -8.885 -2.627 -10.378 1.00 0.00 N ATOM 925 CZ ARG A 59 -9.075 -3.140 -11.595 1.00 0.00 C ATOM 926 NH1 ARG A 59 -10.259 -3.633 -11.938 1.00 0.00 N ATOM 927 NH2 ARG A 59 -8.075 -3.158 -12.469 1.00 0.00 N ATOM 0 H ARG A 59 -7.754 -5.106 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.540 -5.545 -6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.325 -5.008 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.013 -5.118 -9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.313 -3.308 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.617 -3.005 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.860 -2.940 -9.744 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.079 -1.538 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.964 -2.248 -10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.029 -3.621 -11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.398 -4.024 -12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.164 -2.780 -12.209 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.218 -3.550 -13.400 1.00 0.00 H new ATOM 941 N ARG A 60 -8.655 -8.020 -7.658 1.00 0.00 N ATOM 942 CA ARG A 60 -8.668 -9.414 -8.072 1.00 0.00 C ATOM 943 C ARG A 60 -9.303 -10.289 -6.996 1.00 0.00 C ATOM 944 O ARG A 60 -10.300 -10.967 -7.238 1.00 0.00 O ATOM 945 CB ARG A 60 -7.249 -9.907 -8.365 1.00 0.00 C ATOM 946 CG ARG A 60 -6.408 -8.925 -9.163 1.00 0.00 C ATOM 947 CD ARG A 60 -5.419 -9.642 -10.063 1.00 0.00 C ATOM 948 NE ARG A 60 -4.583 -10.585 -9.322 1.00 0.00 N ATOM 949 CZ ARG A 60 -4.541 -11.893 -9.565 1.00 0.00 C ATOM 950 NH1 ARG A 60 -5.296 -12.417 -10.521 1.00 0.00 N ATOM 951 NH2 ARG A 60 -3.752 -12.682 -8.849 1.00 0.00 N ATOM 0 H ARG A 60 -7.776 -7.709 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.261 -9.486 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.746 -10.118 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.308 -10.848 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.060 -8.294 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.870 -8.267 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.961 -10.175 -10.844 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.784 -8.908 -10.560 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.996 -10.218 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.910 -11.817 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.262 -13.420 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.173 -12.287 -8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.724 -13.684 -9.040 1.00 0.00 H new ATOM 965 N SER A 61 -8.724 -10.259 -5.801 1.00 0.00 N ATOM 966 CA SER A 61 -9.165 -11.117 -4.709 1.00 0.00 C ATOM 967 C SER A 61 -10.530 -10.689 -4.158 1.00 0.00 C ATOM 968 O SER A 61 -11.372 -11.528 -3.834 1.00 0.00 O ATOM 969 CB SER A 61 -8.116 -11.102 -3.597 1.00 0.00 C ATOM 970 OG SER A 61 -6.926 -10.458 -4.033 1.00 0.00 O ATOM 0 H SER A 61 -7.944 -9.646 -5.564 1.00 0.00 H new ATOM 0 HA SER A 61 -9.278 -12.129 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.514 -10.587 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.890 -12.123 -3.290 1.00 0.00 H new ATOM 0 HG SER A 61 -6.269 -10.458 -3.306 1.00 0.00 H new ATOM 976 N GLU A 62 -10.742 -9.387 -4.060 1.00 0.00 N ATOM 977 CA GLU A 62 -11.982 -8.845 -3.520 1.00 0.00 C ATOM 978 C GLU A 62 -12.820 -8.231 -4.636 1.00 0.00 C ATOM 979 O GLU A 62 -13.521 -7.238 -4.423 1.00 0.00 O ATOM 980 CB GLU A 62 -11.685 -7.803 -2.440 1.00 0.00 C ATOM 981 CG GLU A 62 -10.670 -8.267 -1.406 1.00 0.00 C ATOM 982 CD GLU A 62 -11.294 -8.551 -0.056 1.00 0.00 C ATOM 983 OE1 GLU A 62 -12.026 -7.683 0.464 1.00 0.00 O ATOM 984 OE2 GLU A 62 -11.048 -9.646 0.496 1.00 0.00 O ATOM 0 H GLU A 62 -10.067 -8.679 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.548 -9.659 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.316 -6.894 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.614 -7.543 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.175 -9.168 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.900 -7.504 -1.292 1.00 0.00 H new ATOM 991 N GLY A 63 -12.688 -8.813 -5.830 1.00 0.00 N ATOM 992 CA GLY A 63 -13.429 -8.382 -7.005 1.00 0.00 C ATOM 993 C GLY A 63 -14.859 -7.978 -6.714 1.00 0.00 C ATOM 994 O GLY A 63 -15.591 -8.676 -6.004 1.00 0.00 O ATOM 0 H GLY A 63 -12.061 -9.598 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.909 -7.539 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.432 -9.189 -7.737 1.00 0.00 H new ATOM 998 N LEU A 64 -15.258 -6.859 -7.284 1.00 0.00 N ATOM 999 CA LEU A 64 -16.551 -6.271 -7.000 1.00 0.00 C ATOM 1000 C LEU A 64 -17.629 -6.918 -7.860 1.00 0.00 C ATOM 1001 O LEU A 64 -17.490 -6.997 -9.080 1.00 0.00 O ATOM 1002 CB LEU A 64 -16.503 -4.761 -7.255 1.00 0.00 C ATOM 1003 CG LEU A 64 -15.809 -3.928 -6.163 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -16.466 -4.164 -4.812 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -14.317 -4.245 -6.092 1.00 0.00 C ATOM 0 H LEU A 64 -14.697 -6.333 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.795 -6.446 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.992 -4.586 -8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -17.524 -4.397 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.918 -2.876 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.961 -3.566 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -17.516 -3.875 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.392 -5.220 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.854 -3.641 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.180 -5.302 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.851 -4.018 -7.051 1.00 0.00 H new ATOM 1017 N PRO A 65 -18.709 -7.407 -7.232 1.00 0.00 N ATOM 1018 CA PRO A 65 -19.830 -8.009 -7.957 1.00 0.00 C ATOM 1019 C PRO A 65 -20.549 -6.979 -8.814 1.00 0.00 C ATOM 1020 O PRO A 65 -20.824 -7.206 -9.994 1.00 0.00 O ATOM 1021 CB PRO A 65 -20.761 -8.521 -6.847 1.00 0.00 C ATOM 1022 CG PRO A 65 -19.944 -8.510 -5.599 1.00 0.00 C ATOM 1023 CD PRO A 65 -18.924 -7.426 -5.775 1.00 0.00 C ATOM 0 HA PRO A 65 -19.504 -8.795 -8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.639 -7.882 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -21.121 -9.525 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -20.569 -8.318 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.463 -9.475 -5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.288 -6.466 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.004 -7.646 -5.234 1.00 0.00 H new ATOM 1031 N SER A 66 -20.836 -5.838 -8.202 1.00 0.00 N ATOM 1032 CA SER A 66 -21.517 -4.739 -8.863 1.00 0.00 C ATOM 1033 C SER A 66 -21.529 -3.519 -7.948 1.00 0.00 C ATOM 1034 O SER A 66 -21.772 -3.644 -6.749 1.00 0.00 O ATOM 1035 CB SER A 66 -22.946 -5.140 -9.231 1.00 0.00 C ATOM 1036 OG SER A 66 -22.998 -5.694 -10.535 1.00 0.00 O ATOM 0 H SER A 66 -20.600 -5.650 -7.227 1.00 0.00 H new ATOM 0 HA SER A 66 -20.984 -4.492 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 66 -23.322 -5.865 -8.509 1.00 0.00 H new ATOM 0 HB3 SER A 66 -23.598 -4.268 -9.176 1.00 0.00 H new ATOM 0 HG SER A 66 -22.266 -6.336 -10.647 1.00 0.00 H new ATOM 1042 N GLU A 67 -21.243 -2.353 -8.507 1.00 0.00 N ATOM 1043 CA GLU A 67 -21.193 -1.126 -7.723 1.00 0.00 C ATOM 1044 C GLU A 67 -22.597 -0.580 -7.466 1.00 0.00 C ATOM 1045 O GLU A 67 -22.918 -0.173 -6.351 1.00 0.00 O ATOM 1046 CB GLU A 67 -20.323 -0.073 -8.428 1.00 0.00 C ATOM 1047 CG GLU A 67 -20.713 0.190 -9.878 1.00 0.00 C ATOM 1048 CD GLU A 67 -20.048 -0.760 -10.853 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -20.580 -1.873 -11.065 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -18.996 -0.398 -11.415 1.00 0.00 O ATOM 0 H GLU A 67 -21.042 -2.229 -9.499 1.00 0.00 H new ATOM 0 HA GLU A 67 -20.742 -1.359 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.383 0.863 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.283 -0.397 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.795 0.106 -9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.448 1.214 -10.139 1.00 0.00 H new ATOM 1057 N CYS A 68 -23.434 -0.590 -8.494 1.00 0.00 N ATOM 1058 CA CYS A 68 -24.784 -0.051 -8.385 1.00 0.00 C ATOM 1059 C CYS A 68 -25.817 -1.170 -8.371 1.00 0.00 C ATOM 1060 O CYS A 68 -26.912 -1.017 -7.827 1.00 0.00 O ATOM 1061 CB CYS A 68 -25.059 0.909 -9.541 1.00 0.00 C ATOM 1062 SG CYS A 68 -23.757 2.134 -9.800 1.00 0.00 S ATOM 0 H CYS A 68 -23.203 -0.965 -9.414 1.00 0.00 H new ATOM 0 HA CYS A 68 -24.862 0.494 -7.444 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -25.189 0.332 -10.457 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -26.000 1.427 -9.354 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.076 2.901 -10.800 1.00 0.00 H new ATOM 1068 N ARG A 69 -25.465 -2.291 -8.980 1.00 0.00 N ATOM 1069 CA ARG A 69 -26.344 -3.450 -9.025 1.00 0.00 C ATOM 1070 C ARG A 69 -26.184 -4.283 -7.755 1.00 0.00 C ATOM 1071 O ARG A 69 -25.244 -4.076 -6.984 1.00 0.00 O ATOM 1072 CB ARG A 69 -26.032 -4.289 -10.266 1.00 0.00 C ATOM 1073 CG ARG A 69 -27.216 -5.068 -10.810 1.00 0.00 C ATOM 1074 CD ARG A 69 -28.515 -4.285 -10.712 1.00 0.00 C ATOM 1075 NE ARG A 69 -29.674 -5.154 -10.889 1.00 0.00 N ATOM 1076 CZ ARG A 69 -30.744 -5.146 -10.100 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -30.844 -4.262 -9.116 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -31.721 -6.017 -10.312 1.00 0.00 N ATOM 0 H ARG A 69 -24.571 -2.424 -9.453 1.00 0.00 H new ATOM 0 HA ARG A 69 -27.379 -3.113 -9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -25.655 -3.631 -11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -25.232 -4.989 -10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -27.029 -5.329 -11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -27.316 -6.004 -10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -28.572 -3.792 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -28.527 -3.501 -11.469 1.00 0.00 H new ATOM 0 HE ARG A 69 -29.662 -5.811 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -30.098 -3.584 -8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -31.667 -4.260 -8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -31.649 -6.688 -11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -32.545 -6.016 -9.710 1.00 0.00 H new ATOM 1092 N SER A 70 -27.105 -5.210 -7.536 1.00 0.00 N ATOM 1093 CA SER A 70 -27.089 -6.043 -6.345 1.00 0.00 C ATOM 1094 C SER A 70 -25.939 -7.045 -6.380 1.00 0.00 C ATOM 1095 O SER A 70 -25.382 -7.332 -7.446 1.00 0.00 O ATOM 1096 CB SER A 70 -28.423 -6.774 -6.214 1.00 0.00 C ATOM 1097 OG SER A 70 -29.404 -6.191 -7.059 1.00 0.00 O ATOM 0 H SER A 70 -27.877 -5.404 -8.173 1.00 0.00 H new ATOM 0 HA SER A 70 -26.939 -5.399 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 70 -28.293 -7.825 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 70 -28.762 -6.739 -5.179 1.00 0.00 H new ATOM 0 HG SER A 70 -30.250 -6.676 -6.961 1.00 0.00 H new ATOM 1103 N VAL A 71 -25.582 -7.562 -5.210 1.00 0.00 N ATOM 1104 CA VAL A 71 -24.531 -8.563 -5.101 1.00 0.00 C ATOM 1105 C VAL A 71 -24.866 -9.785 -5.960 1.00 0.00 C ATOM 1106 O VAL A 71 -25.932 -10.386 -5.828 1.00 0.00 O ATOM 1107 CB VAL A 71 -24.300 -8.985 -3.627 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -25.594 -9.457 -2.976 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -23.225 -10.060 -3.532 1.00 0.00 C ATOM 0 H VAL A 71 -26.008 -7.302 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 71 -23.607 -8.116 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 71 -23.954 -8.107 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -25.398 -9.746 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -26.326 -8.650 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -25.985 -10.314 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -23.081 -10.339 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -23.535 -10.936 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -22.289 -9.675 -3.937 1.00 0.00 H new ATOM 1119 N THR A 72 -23.963 -10.131 -6.860 1.00 0.00 N ATOM 1120 CA THR A 72 -24.203 -11.216 -7.791 1.00 0.00 C ATOM 1121 C THR A 72 -23.273 -12.391 -7.517 1.00 0.00 C ATOM 1122 O THR A 72 -22.144 -12.208 -7.062 1.00 0.00 O ATOM 1123 CB THR A 72 -24.009 -10.738 -9.238 1.00 0.00 C ATOM 1124 OG1 THR A 72 -24.035 -9.303 -9.276 1.00 0.00 O ATOM 1125 CG2 THR A 72 -25.095 -11.292 -10.148 1.00 0.00 C ATOM 0 H THR A 72 -23.057 -9.675 -6.965 1.00 0.00 H new ATOM 0 HA THR A 72 -25.233 -11.545 -7.654 1.00 0.00 H new ATOM 0 HB THR A 72 -23.045 -11.102 -9.594 1.00 0.00 H new ATOM 0 HG1 THR A 72 -23.910 -8.998 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 72 -24.933 -10.937 -11.166 1.00 0.00 H new ATOM 0 HG22 THR A 72 -25.061 -12.381 -10.133 1.00 0.00 H new ATOM 0 HG23 THR A 72 -26.070 -10.955 -9.798 1.00 0.00 H new ATOM 1133 N ASP A 73 -23.763 -13.590 -7.782 1.00 0.00 N ATOM 1134 CA ASP A 73 -22.977 -14.803 -7.621 1.00 0.00 C ATOM 1135 C ASP A 73 -22.813 -15.475 -8.977 1.00 0.00 C ATOM 1136 O ASP A 73 -21.736 -16.042 -9.245 1.00 0.00 O ATOM 1137 CB ASP A 73 -23.657 -15.753 -6.626 1.00 0.00 C ATOM 1138 CG ASP A 73 -23.381 -17.214 -6.918 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -22.301 -17.711 -6.530 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -24.248 -17.881 -7.526 1.00 0.00 O ATOM 1141 OXT ASP A 73 -23.759 -15.390 -9.789 1.00 0.00 O ATOM 0 H ASP A 73 -24.714 -13.751 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 73 -21.994 -14.549 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -23.316 -15.519 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -24.733 -15.581 -6.646 1.00 0.00 H new TER 1146 ASP A 73