USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 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 87 GLN : amide:sc= 0.988 K(o=2.3,f=-1.1) USER MOD Set 1.2: A 91 GLN : amide:sc= 1.27 K(o=2.3,f=-0.44) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -3.41! C(o=-5.1!,f=-7.7!) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.7 K(o=-5.1,f=-5.7!) USER MOD Single : A 0 GLY N :NH3+ -136:sc= 0.0247 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -95:sc= -2.03 USER MOD Single : A 15 HIS : no HD1:sc= -4.53 K(o=-4.5,f=-0.85) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 66:sc= 1.27 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= -0.109 (180deg=-1.54) USER MOD Single : A 37 THR OG1 : rot 89:sc= 0.0248 USER MOD Single : A 39 CYS SG : rot 158:sc= -0.299 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 48:sc= -4.94! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.85) USER MOD Single : A 75 SER OG : rot 67:sc= 0.559 USER MOD Single : A 80 GLN : amide:sc= -3.19! C(o=-3.2!,f=-2.5!) USER MOD Single : A 82 TYR OH : rot 97:sc= -0.515 USER MOD Single : A 84 THR OG1 : rot 106:sc= 0.962 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 12:sc= 0.819 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -12.706 -1.501 -25.430 1.00 0.00 N ATOM 2 CA GLY A 0 -14.159 -1.508 -25.395 1.00 0.00 C ATOM 3 C GLY A 0 -14.685 -0.611 -24.272 1.00 0.00 C ATOM 4 O GLY A 0 -14.100 0.430 -23.979 1.00 0.00 O ATOM 0 H1 GLY A 0 -12.383 -1.414 -26.415 1.00 0.00 H new ATOM 0 H2 GLY A 0 -12.349 -0.696 -24.876 1.00 0.00 H new ATOM 0 H3 GLY A 0 -12.345 -2.388 -25.024 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -14.551 -1.165 -26.353 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -14.518 -2.527 -25.250 1.00 0.00 H new ATOM 8 N SER A 1 -15.783 -1.049 -23.674 1.00 0.00 N ATOM 9 CA SER A 1 -16.394 -0.300 -22.590 1.00 0.00 C ATOM 10 C SER A 1 -15.811 -0.750 -21.249 1.00 0.00 C ATOM 11 O SER A 1 -16.429 -1.534 -20.531 1.00 0.00 O ATOM 12 CB SER A 1 -17.915 -0.470 -22.591 1.00 0.00 C ATOM 13 OG SER A 1 -18.536 0.273 -21.546 1.00 0.00 O ATOM 0 H SER A 1 -16.265 -1.913 -23.920 1.00 0.00 H new ATOM 0 HA SER A 1 -16.174 0.757 -22.739 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.315 -0.148 -23.552 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.162 -1.526 -22.481 1.00 0.00 H new ATOM 0 HG SER A 1 -19.506 0.139 -21.582 1.00 0.00 H new ATOM 19 N SER A 2 -14.627 -0.234 -20.952 1.00 0.00 N ATOM 20 CA SER A 2 -13.954 -0.573 -19.710 1.00 0.00 C ATOM 21 C SER A 2 -14.016 -2.084 -19.476 1.00 0.00 C ATOM 22 O SER A 2 -14.839 -2.561 -18.696 1.00 0.00 O ATOM 23 CB SER A 2 -14.573 0.173 -18.526 1.00 0.00 C ATOM 24 OG SER A 2 -13.601 0.920 -17.799 1.00 0.00 O ATOM 0 H SER A 2 -14.117 0.416 -21.550 1.00 0.00 H new ATOM 0 HA SER A 2 -12.911 -0.267 -19.792 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.351 0.845 -18.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.055 -0.542 -17.859 1.00 0.00 H new ATOM 0 HG SER A 2 -14.036 1.383 -17.053 1.00 0.00 H new ATOM 30 N GLY A 3 -13.135 -2.794 -20.166 1.00 0.00 N ATOM 31 CA GLY A 3 -13.080 -4.241 -20.043 1.00 0.00 C ATOM 32 C GLY A 3 -12.147 -4.659 -18.905 1.00 0.00 C ATOM 33 O GLY A 3 -10.975 -4.953 -19.134 1.00 0.00 O ATOM 0 H GLY A 3 -12.454 -2.394 -20.812 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -14.081 -4.632 -19.860 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.734 -4.676 -20.980 1.00 0.00 H new ATOM 37 N SER A 4 -12.702 -4.673 -17.702 1.00 0.00 N ATOM 38 CA SER A 4 -11.935 -5.050 -16.528 1.00 0.00 C ATOM 39 C SER A 4 -10.731 -4.120 -16.368 1.00 0.00 C ATOM 40 O SER A 4 -9.608 -4.487 -16.711 1.00 0.00 O ATOM 41 CB SER A 4 -11.473 -6.506 -16.616 1.00 0.00 C ATOM 42 OG SER A 4 -12.561 -7.419 -16.507 1.00 0.00 O ATOM 0 H SER A 4 -13.675 -4.429 -17.515 1.00 0.00 H new ATOM 0 HA SER A 4 -12.579 -4.954 -15.654 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.959 -6.666 -17.564 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.751 -6.706 -15.824 1.00 0.00 H new ATOM 0 HG SER A 4 -12.225 -8.337 -16.570 1.00 0.00 H new ATOM 48 N SER A 5 -11.005 -2.933 -15.848 1.00 0.00 N ATOM 49 CA SER A 5 -9.959 -1.947 -15.639 1.00 0.00 C ATOM 50 C SER A 5 -10.079 -1.344 -14.237 1.00 0.00 C ATOM 51 O SER A 5 -10.914 -0.472 -14.002 1.00 0.00 O ATOM 52 CB SER A 5 -10.021 -0.844 -16.698 1.00 0.00 C ATOM 53 OG SER A 5 -8.731 -0.524 -17.212 1.00 0.00 O ATOM 0 H SER A 5 -11.937 -2.632 -15.565 1.00 0.00 H new ATOM 0 HA SER A 5 -8.995 -2.448 -15.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.668 -1.162 -17.515 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.471 0.050 -16.265 1.00 0.00 H new ATOM 0 HG SER A 5 -8.813 0.183 -17.886 1.00 0.00 H new ATOM 59 N GLY A 6 -9.233 -1.834 -13.343 1.00 0.00 N ATOM 60 CA GLY A 6 -9.234 -1.355 -11.971 1.00 0.00 C ATOM 61 C GLY A 6 -7.827 -1.404 -11.372 1.00 0.00 C ATOM 62 O GLY A 6 -7.168 -2.441 -11.412 1.00 0.00 O ATOM 0 H GLY A 6 -8.542 -2.558 -13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.611 -0.333 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.910 -1.963 -11.370 1.00 0.00 H new ATOM 66 N THR A 7 -7.410 -0.269 -10.830 1.00 0.00 N ATOM 67 CA THR A 7 -6.093 -0.170 -10.224 1.00 0.00 C ATOM 68 C THR A 7 -6.198 -0.280 -8.701 1.00 0.00 C ATOM 69 O THR A 7 -7.268 -0.072 -8.132 1.00 0.00 O ATOM 70 CB THR A 7 -5.453 1.137 -10.696 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.418 2.134 -10.371 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.334 1.215 -12.219 1.00 0.00 C ATOM 0 H THR A 7 -7.960 0.589 -10.798 1.00 0.00 H new ATOM 0 HA THR A 7 -5.451 -0.994 -10.535 1.00 0.00 H new ATOM 0 HB THR A 7 -4.464 1.238 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.082 3.015 -10.640 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.874 2.162 -12.500 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.718 0.391 -12.578 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.326 1.147 -12.665 1.00 0.00 H new ATOM 80 N PRO A 8 -5.041 -0.616 -8.069 1.00 0.00 N ATOM 81 CA PRO A 8 -4.993 -0.756 -6.623 1.00 0.00 C ATOM 82 C PRO A 8 -5.011 0.612 -5.939 1.00 0.00 C ATOM 83 O PRO A 8 -5.756 0.822 -4.983 1.00 0.00 O ATOM 84 CB PRO A 8 -3.721 -1.542 -6.347 1.00 0.00 C ATOM 85 CG PRO A 8 -2.870 -1.410 -7.599 1.00 0.00 C ATOM 86 CD PRO A 8 -3.755 -0.869 -8.710 1.00 0.00 C ATOM 0 HA PRO A 8 -5.862 -1.276 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.199 -1.146 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.946 -2.587 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.029 -0.740 -7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.452 -2.377 -7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.340 0.043 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.853 -1.587 -9.524 1.00 0.00 H new ATOM 94 N LEU A 9 -4.182 1.507 -6.454 1.00 0.00 N ATOM 95 CA LEU A 9 -4.093 2.849 -5.905 1.00 0.00 C ATOM 96 C LEU A 9 -5.492 3.466 -5.847 1.00 0.00 C ATOM 97 O LEU A 9 -5.878 4.045 -4.832 1.00 0.00 O ATOM 98 CB LEU A 9 -3.085 3.686 -6.694 1.00 0.00 C ATOM 99 CG LEU A 9 -2.994 5.165 -6.311 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.648 5.326 -4.829 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.006 5.906 -7.214 1.00 0.00 C ATOM 0 H LEU A 9 -3.565 1.329 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.715 2.817 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.098 3.239 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.338 3.620 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.973 5.619 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.589 6.386 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.421 4.854 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.687 4.852 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.961 6.955 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.017 5.458 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.336 5.834 -8.250 1.00 0.00 H new ATOM 113 N SER A 10 -6.214 3.320 -6.948 1.00 0.00 N ATOM 114 CA SER A 10 -7.563 3.855 -7.035 1.00 0.00 C ATOM 115 C SER A 10 -8.479 3.127 -6.049 1.00 0.00 C ATOM 116 O SER A 10 -9.252 3.761 -5.332 1.00 0.00 O ATOM 117 CB SER A 10 -8.112 3.734 -8.458 1.00 0.00 C ATOM 118 OG SER A 10 -9.209 4.616 -8.683 1.00 0.00 O ATOM 0 H SER A 10 -5.891 2.839 -7.787 1.00 0.00 H new ATOM 0 HA SER A 10 -7.529 4.913 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.319 3.952 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.429 2.707 -8.638 1.00 0.00 H new ATOM 0 HG SER A 10 -9.530 4.510 -9.603 1.00 0.00 H new ATOM 124 N LEU A 11 -8.363 1.808 -6.046 1.00 0.00 N ATOM 125 CA LEU A 11 -9.171 0.987 -5.159 1.00 0.00 C ATOM 126 C LEU A 11 -8.892 1.384 -3.708 1.00 0.00 C ATOM 127 O LEU A 11 -9.818 1.537 -2.914 1.00 0.00 O ATOM 128 CB LEU A 11 -8.941 -0.498 -5.446 1.00 0.00 C ATOM 129 CG LEU A 11 -9.464 -1.010 -6.790 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.594 -2.154 -7.316 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.937 -1.410 -6.689 1.00 0.00 C ATOM 0 H LEU A 11 -7.722 1.286 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.232 1.162 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.870 -0.696 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.410 -1.078 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.400 -0.197 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.987 -2.500 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.571 -1.801 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.603 -2.977 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.283 -1.770 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.049 -2.200 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.529 -0.545 -6.391 1.00 0.00 H new ATOM 143 N THR A 12 -7.611 1.538 -3.407 1.00 0.00 N ATOM 144 CA THR A 12 -7.198 1.914 -2.065 1.00 0.00 C ATOM 145 C THR A 12 -7.734 3.302 -1.711 1.00 0.00 C ATOM 146 O THR A 12 -8.331 3.490 -0.652 1.00 0.00 O ATOM 147 CB THR A 12 -5.673 1.815 -1.995 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.231 2.377 -3.228 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.176 0.369 -2.046 1.00 0.00 C ATOM 0 H THR A 12 -6.846 1.409 -4.069 1.00 0.00 H new ATOM 0 HA THR A 12 -7.617 1.239 -1.319 1.00 0.00 H new ATOM 0 HB THR A 12 -5.321 2.287 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.088 1.661 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.087 0.356 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.587 -0.187 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.499 -0.094 -2.978 1.00 0.00 H new ATOM 157 N LEU A 13 -7.502 4.240 -2.618 1.00 0.00 N ATOM 158 CA LEU A 13 -7.954 5.606 -2.415 1.00 0.00 C ATOM 159 C LEU A 13 -9.475 5.617 -2.256 1.00 0.00 C ATOM 160 O LEU A 13 -10.004 6.255 -1.347 1.00 0.00 O ATOM 161 CB LEU A 13 -7.447 6.511 -3.540 1.00 0.00 C ATOM 162 CG LEU A 13 -6.210 7.352 -3.218 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.317 7.975 -1.825 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.930 6.528 -3.380 1.00 0.00 C ATOM 0 H LEU A 13 -7.007 4.081 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.534 6.013 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.224 5.889 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.254 7.184 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.159 8.172 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.425 8.567 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.197 8.617 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.406 7.185 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.065 7.149 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.958 5.675 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.853 6.173 -4.408 1.00 0.00 H new ATOM 176 N ASP A 14 -10.137 4.902 -3.154 1.00 0.00 N ATOM 177 CA ASP A 14 -11.588 4.821 -3.124 1.00 0.00 C ATOM 178 C ASP A 14 -12.040 4.344 -1.743 1.00 0.00 C ATOM 179 O ASP A 14 -13.178 4.581 -1.342 1.00 0.00 O ATOM 180 CB ASP A 14 -12.105 3.823 -4.162 1.00 0.00 C ATOM 181 CG ASP A 14 -12.251 4.380 -5.579 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.067 5.607 -5.728 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.544 3.566 -6.481 1.00 0.00 O ATOM 0 H ASP A 14 -9.696 4.374 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.986 5.811 -3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.428 2.969 -4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.075 3.450 -3.833 1.00 0.00 H new ATOM 188 N HIS A 15 -11.124 3.681 -1.052 1.00 0.00 N ATOM 189 CA HIS A 15 -11.414 3.168 0.276 1.00 0.00 C ATOM 190 C HIS A 15 -10.404 3.734 1.276 1.00 0.00 C ATOM 191 O HIS A 15 -9.919 3.015 2.148 1.00 0.00 O ATOM 192 CB HIS A 15 -11.452 1.639 0.272 1.00 0.00 C ATOM 193 CG HIS A 15 -12.781 1.058 -0.148 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.977 1.411 0.453 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.090 0.147 -1.114 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.955 0.736 -0.133 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.403 -0.047 -1.103 1.00 0.00 N ATOM 0 H HIS A 15 -10.180 3.487 -1.387 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.405 3.496 0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.677 1.268 -0.399 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.209 1.277 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.386 -0.335 -1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.005 0.796 0.114 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.915 -0.678 -1.719 1.00 0.00 H new ATOM 205 N TRP A 16 -10.117 5.018 1.117 1.00 0.00 N ATOM 206 CA TRP A 16 -9.174 5.688 1.995 1.00 0.00 C ATOM 207 C TRP A 16 -9.591 5.407 3.440 1.00 0.00 C ATOM 208 O TRP A 16 -8.741 5.244 4.314 1.00 0.00 O ATOM 209 CB TRP A 16 -9.095 7.183 1.676 1.00 0.00 C ATOM 210 CG TRP A 16 -8.100 7.953 2.546 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.327 9.044 3.290 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.703 7.644 2.734 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.183 9.460 3.941 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.164 8.581 3.592 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.920 6.607 2.197 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.821 8.575 3.989 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.580 6.615 2.603 1.00 0.00 C ATOM 218 CH2 TRP A 16 -4.022 7.551 3.466 1.00 0.00 C ATOM 0 H TRP A 16 -10.521 5.612 0.393 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.165 5.304 1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.818 7.307 0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.085 7.623 1.798 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.285 9.536 3.370 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.101 10.264 4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.321 5.863 1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.423 9.320 4.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.934 5.839 2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.977 7.489 3.732 1.00 0.00 H new ATOM 229 N SER A 17 -10.899 5.359 3.646 1.00 0.00 N ATOM 230 CA SER A 17 -11.438 5.100 4.970 1.00 0.00 C ATOM 231 C SER A 17 -10.846 3.807 5.533 1.00 0.00 C ATOM 232 O SER A 17 -10.422 3.765 6.687 1.00 0.00 O ATOM 233 CB SER A 17 -12.965 5.013 4.935 1.00 0.00 C ATOM 234 OG SER A 17 -13.553 6.169 4.344 1.00 0.00 O ATOM 0 H SER A 17 -11.601 5.495 2.919 1.00 0.00 H new ATOM 0 HA SER A 17 -11.163 5.931 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.265 4.127 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.344 4.892 5.950 1.00 0.00 H new ATOM 0 HG SER A 17 -14.528 6.074 4.339 1.00 0.00 H new ATOM 240 N GLU A 18 -10.835 2.783 4.692 1.00 0.00 N ATOM 241 CA GLU A 18 -10.302 1.492 5.091 1.00 0.00 C ATOM 242 C GLU A 18 -8.803 1.603 5.380 1.00 0.00 C ATOM 243 O GLU A 18 -8.308 1.020 6.343 1.00 0.00 O ATOM 244 CB GLU A 18 -10.577 0.431 4.024 1.00 0.00 C ATOM 245 CG GLU A 18 -9.730 -0.821 4.263 1.00 0.00 C ATOM 246 CD GLU A 18 -10.134 -1.516 5.565 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.351 -1.752 5.728 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.218 -1.795 6.368 1.00 0.00 O ATOM 0 H GLU A 18 -11.187 2.822 3.735 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.807 1.180 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.634 0.166 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.359 0.838 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.849 -1.510 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.675 -0.549 4.304 1.00 0.00 H new ATOM 255 N ILE A 19 -8.123 2.356 4.528 1.00 0.00 N ATOM 256 CA ILE A 19 -6.691 2.551 4.680 1.00 0.00 C ATOM 257 C ILE A 19 -6.422 3.354 5.955 1.00 0.00 C ATOM 258 O ILE A 19 -5.439 3.108 6.651 1.00 0.00 O ATOM 259 CB ILE A 19 -6.100 3.184 3.419 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.715 2.573 2.158 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.573 3.084 3.419 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.731 1.045 2.242 1.00 0.00 C ATOM 0 H ILE A 19 -8.537 2.838 3.730 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.186 1.592 4.794 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.353 4.244 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.731 2.944 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.146 2.887 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.178 3.541 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.174 3.604 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.277 2.036 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.173 0.635 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.711 0.676 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.321 0.734 3.104 1.00 0.00 H new ATOM 274 N ARG A 20 -7.314 4.296 6.222 1.00 0.00 N ATOM 275 CA ARG A 20 -7.186 5.136 7.400 1.00 0.00 C ATOM 276 C ARG A 20 -7.489 4.328 8.664 1.00 0.00 C ATOM 277 O ARG A 20 -6.975 4.633 9.739 1.00 0.00 O ATOM 278 CB ARG A 20 -8.135 6.334 7.329 1.00 0.00 C ATOM 279 CG ARG A 20 -7.687 7.326 6.254 1.00 0.00 C ATOM 280 CD ARG A 20 -7.904 8.769 6.714 1.00 0.00 C ATOM 281 NE ARG A 20 -9.175 9.290 6.163 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.369 9.134 6.751 1.00 0.00 C ATOM 283 NH1 ARG A 20 -10.462 8.471 7.912 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.469 9.640 6.178 1.00 0.00 N ATOM 0 H ARG A 20 -8.129 4.496 5.642 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.160 5.502 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.146 5.989 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.170 6.833 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.633 7.168 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.243 7.146 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.925 8.813 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.073 9.393 6.386 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.140 9.800 5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.624 8.085 8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.371 8.352 8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.398 10.144 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.378 9.521 6.626 1.00 0.00 H new ATOM 298 N SER A 21 -8.323 3.313 8.492 1.00 0.00 N ATOM 299 CA SER A 21 -8.701 2.458 9.605 1.00 0.00 C ATOM 300 C SER A 21 -7.540 1.531 9.971 1.00 0.00 C ATOM 301 O SER A 21 -7.178 1.416 11.141 1.00 0.00 O ATOM 302 CB SER A 21 -9.949 1.639 9.271 1.00 0.00 C ATOM 303 OG SER A 21 -11.073 2.468 8.992 1.00 0.00 O ATOM 0 H SER A 21 -8.748 3.063 7.599 1.00 0.00 H new ATOM 0 HA SER A 21 -8.934 3.093 10.460 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.745 1.003 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.184 0.979 10.106 1.00 0.00 H new ATOM 0 HG SER A 21 -10.910 2.973 8.168 1.00 0.00 H new ATOM 309 N ARG A 22 -6.987 0.895 8.949 1.00 0.00 N ATOM 310 CA ARG A 22 -5.874 -0.018 9.148 1.00 0.00 C ATOM 311 C ARG A 22 -4.744 0.681 9.906 1.00 0.00 C ATOM 312 O ARG A 22 -4.035 0.052 10.690 1.00 0.00 O ATOM 313 CB ARG A 22 -5.339 -0.534 7.811 1.00 0.00 C ATOM 314 CG ARG A 22 -6.471 -1.097 6.948 1.00 0.00 C ATOM 315 CD ARG A 22 -6.265 -2.589 6.679 1.00 0.00 C ATOM 316 NE ARG A 22 -7.095 -3.014 5.530 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.272 -4.291 5.163 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.678 -5.275 5.852 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.042 -4.584 4.106 1.00 0.00 N ATOM 0 H ARG A 22 -7.289 0.994 7.980 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.239 -0.864 9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.839 0.275 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.592 -1.308 7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.427 -0.943 7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.516 -0.556 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.213 -2.788 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.531 -3.167 7.564 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.561 -2.290 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.091 -5.052 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.813 -6.247 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.493 -3.835 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.177 -5.556 3.827 1.00 0.00 H new ATOM 333 N ALA A 23 -4.611 1.973 9.646 1.00 0.00 N ATOM 334 CA ALA A 23 -3.578 2.765 10.294 1.00 0.00 C ATOM 335 C ALA A 23 -3.939 2.956 11.769 1.00 0.00 C ATOM 336 O ALA A 23 -3.057 3.013 12.625 1.00 0.00 O ATOM 337 CB ALA A 23 -3.416 4.095 9.556 1.00 0.00 C ATOM 0 H ALA A 23 -5.201 2.492 8.996 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.618 2.251 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.642 4.689 10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.132 3.905 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.359 4.641 9.578 1.00 0.00 H new ATOM 343 N HIS A 24 -5.236 3.050 12.020 1.00 0.00 N ATOM 344 CA HIS A 24 -5.724 3.234 13.376 1.00 0.00 C ATOM 345 C HIS A 24 -5.442 1.975 14.198 1.00 0.00 C ATOM 346 O HIS A 24 -5.046 2.064 15.360 1.00 0.00 O ATOM 347 CB HIS A 24 -7.205 3.621 13.373 1.00 0.00 C ATOM 348 CG HIS A 24 -7.537 4.788 14.272 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.341 4.667 15.391 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.164 6.098 14.204 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.442 5.858 15.964 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.713 6.743 15.227 1.00 0.00 N ATOM 0 H HIS A 24 -5.964 3.002 11.307 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.193 4.061 13.848 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.504 3.864 12.354 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.796 2.759 13.681 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.530 6.536 13.447 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.003 6.087 16.858 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.607 7.737 15.428 1.00 0.00 H new ATOM 360 N ASN A 25 -5.657 0.832 13.564 1.00 0.00 N ATOM 361 CA ASN A 25 -5.430 -0.443 14.222 1.00 0.00 C ATOM 362 C ASN A 25 -3.925 -0.679 14.364 1.00 0.00 C ATOM 363 O ASN A 25 -3.485 -1.365 15.285 1.00 0.00 O ATOM 364 CB ASN A 25 -6.014 -1.597 13.404 1.00 0.00 C ATOM 365 CG ASN A 25 -6.788 -2.567 14.299 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.265 -3.559 14.781 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.059 -2.227 14.494 1.00 0.00 N ATOM 0 H ASN A 25 -5.986 0.762 12.601 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.916 -0.410 15.197 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.675 -1.202 12.632 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.211 -2.129 12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.659 -2.810 15.077 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.433 -1.383 14.061 1.00 0.00 H new ATOM 374 N LEU A 26 -3.178 -0.096 13.438 1.00 0.00 N ATOM 375 CA LEU A 26 -1.731 -0.234 13.448 1.00 0.00 C ATOM 376 C LEU A 26 -1.124 0.873 14.311 1.00 0.00 C ATOM 377 O LEU A 26 0.073 0.859 14.594 1.00 0.00 O ATOM 378 CB LEU A 26 -1.186 -0.269 12.019 1.00 0.00 C ATOM 379 CG LEU A 26 -1.574 -1.491 11.183 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.154 -1.311 9.723 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.004 -2.774 11.790 1.00 0.00 C ATOM 0 H LEU A 26 -3.547 0.473 12.676 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.442 -1.184 13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.528 0.626 11.499 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.098 -0.215 12.065 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.660 -1.584 11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.441 -2.193 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.648 -0.432 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.073 -1.179 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.294 -3.627 11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.083 -2.707 11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.394 -2.903 12.800 1.00 0.00 H new ATOM 393 N SER A 27 -1.977 1.807 14.705 1.00 0.00 N ATOM 394 CA SER A 27 -1.539 2.921 15.530 1.00 0.00 C ATOM 395 C SER A 27 -0.565 3.802 14.746 1.00 0.00 C ATOM 396 O SER A 27 0.528 4.103 15.224 1.00 0.00 O ATOM 397 CB SER A 27 -0.884 2.425 16.821 1.00 0.00 C ATOM 398 OG SER A 27 -1.589 1.324 17.389 1.00 0.00 O ATOM 0 H SER A 27 -2.969 1.816 14.468 1.00 0.00 H new ATOM 0 HA SER A 27 -2.415 3.511 15.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.145 2.129 16.615 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.843 3.240 17.543 1.00 0.00 H new ATOM 0 HG SER A 27 -1.139 1.036 18.210 1.00 0.00 H new ATOM 404 N VAL A 28 -0.996 4.190 13.555 1.00 0.00 N ATOM 405 CA VAL A 28 -0.175 5.031 12.699 1.00 0.00 C ATOM 406 C VAL A 28 -1.075 5.999 11.929 1.00 0.00 C ATOM 407 O VAL A 28 -2.234 5.691 11.655 1.00 0.00 O ATOM 408 CB VAL A 28 0.689 4.161 11.784 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.836 3.516 12.565 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.157 3.101 11.076 1.00 0.00 C ATOM 0 H VAL A 28 -1.903 3.938 13.162 1.00 0.00 H new ATOM 0 HA VAL A 28 0.511 5.631 13.297 1.00 0.00 H new ATOM 0 HB VAL A 28 1.124 4.806 11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.435 2.903 11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.462 4.294 13.001 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.429 2.891 13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.482 2.496 10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.634 2.461 11.818 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.922 3.590 10.473 1.00 0.00 H new ATOM 420 N GLU A 29 -0.508 7.150 11.600 1.00 0.00 N ATOM 421 CA GLU A 29 -1.244 8.165 10.866 1.00 0.00 C ATOM 422 C GLU A 29 -0.641 8.354 9.472 1.00 0.00 C ATOM 423 O GLU A 29 0.574 8.278 9.302 1.00 0.00 O ATOM 424 CB GLU A 29 -1.271 9.487 11.636 1.00 0.00 C ATOM 425 CG GLU A 29 -2.695 10.040 11.725 1.00 0.00 C ATOM 426 CD GLU A 29 -2.757 11.480 11.211 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.526 11.660 9.996 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.033 12.369 12.046 1.00 0.00 O ATOM 0 H GLU A 29 0.453 7.402 11.828 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.274 7.828 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.872 9.336 12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.625 10.213 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.370 9.413 11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.039 10.004 12.759 1.00 0.00 H new ATOM 435 N ILE A 30 -1.520 8.598 8.511 1.00 0.00 N ATOM 436 CA ILE A 30 -1.090 8.799 7.138 1.00 0.00 C ATOM 437 C ILE A 30 -1.980 9.854 6.478 1.00 0.00 C ATOM 438 O ILE A 30 -3.016 10.228 7.026 1.00 0.00 O ATOM 439 CB ILE A 30 -1.055 7.467 6.387 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.452 6.851 6.297 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.045 6.507 7.019 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.405 5.479 5.622 1.00 0.00 C ATOM 0 H ILE A 30 -2.528 8.661 8.656 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.069 9.181 7.111 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.722 7.659 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.875 6.754 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.110 7.514 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.040 5.568 6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.949 6.952 6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.324 6.316 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.412 5.064 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.004 5.583 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.766 4.811 6.199 1.00 0.00 H new ATOM 454 N LYS A 31 -1.545 10.303 5.310 1.00 0.00 N ATOM 455 CA LYS A 31 -2.290 11.307 4.570 1.00 0.00 C ATOM 456 C LYS A 31 -2.735 10.720 3.228 1.00 0.00 C ATOM 457 O LYS A 31 -2.245 9.671 2.813 1.00 0.00 O ATOM 458 CB LYS A 31 -1.471 12.593 4.437 1.00 0.00 C ATOM 459 CG LYS A 31 -1.769 13.554 5.589 1.00 0.00 C ATOM 460 CD LYS A 31 -3.233 13.998 5.568 1.00 0.00 C ATOM 461 CE LYS A 31 -3.345 15.523 5.610 1.00 0.00 C ATOM 462 NZ LYS A 31 -4.382 15.941 6.580 1.00 0.00 N ATOM 0 H LYS A 31 -0.686 9.990 4.858 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.194 11.586 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.408 12.352 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.698 13.077 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.546 13.069 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.120 14.426 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.719 13.619 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.759 13.568 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.384 15.956 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.592 15.903 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.445 16.979 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.301 15.543 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.130 15.595 7.528 1.00 0.00 H new ATOM 476 N LYS A 32 -3.657 11.423 2.588 1.00 0.00 N ATOM 477 CA LYS A 32 -4.173 10.985 1.302 1.00 0.00 C ATOM 478 C LYS A 32 -3.371 11.650 0.182 1.00 0.00 C ATOM 479 O LYS A 32 -3.475 11.257 -0.979 1.00 0.00 O ATOM 480 CB LYS A 32 -5.679 11.240 1.214 1.00 0.00 C ATOM 481 CG LYS A 32 -6.114 11.462 -0.236 1.00 0.00 C ATOM 482 CD LYS A 32 -7.637 11.395 -0.368 1.00 0.00 C ATOM 483 CE LYS A 32 -8.197 10.174 0.364 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.421 9.683 -0.309 1.00 0.00 N ATOM 0 H LYS A 32 -4.060 12.293 2.936 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.048 9.908 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.220 10.392 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.939 12.113 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.758 12.432 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.656 10.708 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.081 12.303 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.913 11.350 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.447 9.383 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.423 10.434 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.101 9.352 0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.847 10.455 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.176 8.897 -0.945 1.00 0.00 H new ATOM 498 N GLY A 33 -2.588 12.646 0.569 1.00 0.00 N ATOM 499 CA GLY A 33 -1.768 13.370 -0.388 1.00 0.00 C ATOM 500 C GLY A 33 -0.478 12.605 -0.693 1.00 0.00 C ATOM 501 O GLY A 33 -0.133 12.401 -1.856 1.00 0.00 O ATOM 0 H GLY A 33 -2.504 12.969 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.329 13.526 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.525 14.356 0.008 1.00 0.00 H new ATOM 505 N PRO A 34 0.218 12.193 0.401 1.00 0.00 N ATOM 506 CA PRO A 34 1.462 11.456 0.262 1.00 0.00 C ATOM 507 C PRO A 34 1.198 10.009 -0.159 1.00 0.00 C ATOM 508 O PRO A 34 1.961 9.435 -0.935 1.00 0.00 O ATOM 509 CB PRO A 34 2.139 11.567 1.618 1.00 0.00 C ATOM 510 CG PRO A 34 1.046 11.961 2.598 1.00 0.00 C ATOM 511 CD PRO A 34 -0.160 12.417 1.793 1.00 0.00 C ATOM 0 HA PRO A 34 2.104 11.858 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.598 10.621 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.933 12.313 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.782 11.117 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.391 12.760 3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.051 11.848 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.386 13.467 1.978 1.00 0.00 H new ATOM 519 N TRP A 35 0.115 9.460 0.372 1.00 0.00 N ATOM 520 CA TRP A 35 -0.259 8.091 0.062 1.00 0.00 C ATOM 521 C TRP A 35 -0.232 7.927 -1.459 1.00 0.00 C ATOM 522 O TRP A 35 0.198 6.893 -1.968 1.00 0.00 O ATOM 523 CB TRP A 35 -1.615 7.741 0.677 1.00 0.00 C ATOM 524 CG TRP A 35 -2.174 6.390 0.224 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.916 6.127 -0.860 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.003 5.122 0.890 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.236 4.787 -0.941 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.662 4.156 0.157 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.314 4.800 2.072 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.698 2.805 0.525 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.359 3.447 2.427 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.018 2.462 1.700 1.00 0.00 C ATOM 0 H TRP A 35 -0.515 9.939 1.015 1.00 0.00 H new ATOM 0 HA TRP A 35 0.449 7.388 0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.520 7.738 1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.331 8.523 0.422 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.225 6.870 -1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.791 4.342 -1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.791 5.539 2.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.222 2.068 -0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.846 3.147 3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.005 1.437 2.040 1.00 0.00 H new ATOM 543 N ARG A 36 -0.697 8.962 -2.143 1.00 0.00 N ATOM 544 CA ARG A 36 -0.731 8.946 -3.595 1.00 0.00 C ATOM 545 C ARG A 36 0.665 9.209 -4.162 1.00 0.00 C ATOM 546 O ARG A 36 1.139 8.469 -5.024 1.00 0.00 O ATOM 547 CB ARG A 36 -1.700 9.999 -4.135 1.00 0.00 C ATOM 548 CG ARG A 36 -2.376 9.515 -5.420 1.00 0.00 C ATOM 549 CD ARG A 36 -3.816 10.024 -5.507 1.00 0.00 C ATOM 550 NE ARG A 36 -4.588 9.199 -6.463 1.00 0.00 N ATOM 551 CZ ARG A 36 -5.854 9.450 -6.821 1.00 0.00 C ATOM 552 NH1 ARG A 36 -6.500 10.505 -6.305 1.00 0.00 N ATOM 553 NH2 ARG A 36 -6.476 8.647 -7.695 1.00 0.00 N ATOM 0 H ARG A 36 -1.054 9.818 -1.718 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.074 7.959 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.457 10.221 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.162 10.927 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.811 9.862 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.369 8.425 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.283 9.988 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.823 11.067 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.127 8.388 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.027 11.117 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.464 10.696 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.985 7.844 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.440 8.839 -7.967 1.00 0.00 H new ATOM 567 N THR A 37 1.285 10.265 -3.656 1.00 0.00 N ATOM 568 CA THR A 37 2.618 10.635 -4.102 1.00 0.00 C ATOM 569 C THR A 37 3.576 9.451 -3.957 1.00 0.00 C ATOM 570 O THR A 37 4.282 9.100 -4.902 1.00 0.00 O ATOM 571 CB THR A 37 3.054 11.870 -3.312 1.00 0.00 C ATOM 572 OG1 THR A 37 2.305 12.935 -3.892 1.00 0.00 O ATOM 573 CG2 THR A 37 4.512 12.251 -3.579 1.00 0.00 C ATOM 0 H THR A 37 0.889 10.876 -2.942 1.00 0.00 H new ATOM 0 HA THR A 37 2.625 10.890 -5.162 1.00 0.00 H new ATOM 0 HB THR A 37 2.916 11.687 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.448 13.024 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.770 13.134 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.162 11.424 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.643 12.467 -4.639 1.00 0.00 H new ATOM 581 N PHE A 38 3.571 8.868 -2.767 1.00 0.00 N ATOM 582 CA PHE A 38 4.431 7.732 -2.487 1.00 0.00 C ATOM 583 C PHE A 38 4.196 6.604 -3.494 1.00 0.00 C ATOM 584 O PHE A 38 5.126 5.884 -3.853 1.00 0.00 O ATOM 585 CB PHE A 38 4.069 7.232 -1.087 1.00 0.00 C ATOM 586 CG PHE A 38 4.644 8.085 0.046 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.915 8.560 -0.038 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.882 8.369 1.137 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.448 9.352 1.014 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.415 9.161 2.188 1.00 0.00 C ATOM 591 CZ PHE A 38 5.687 9.636 2.104 1.00 0.00 C ATOM 0 H PHE A 38 2.985 9.162 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 38 5.477 8.032 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.984 7.204 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.426 6.208 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.519 8.335 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.872 7.992 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.458 9.729 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.811 9.386 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.092 10.239 2.903 1.00 0.00 H new ATOM 601 N CYS A 39 2.947 6.487 -3.922 1.00 0.00 N ATOM 602 CA CYS A 39 2.578 5.460 -4.881 1.00 0.00 C ATOM 603 C CYS A 39 2.500 6.102 -6.267 1.00 0.00 C ATOM 604 O CYS A 39 1.981 5.500 -7.206 1.00 0.00 O ATOM 605 CB CYS A 39 1.267 4.772 -4.496 1.00 0.00 C ATOM 606 SG CYS A 39 1.141 3.150 -5.335 1.00 0.00 S ATOM 0 H CYS A 39 2.178 7.087 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 39 3.335 4.676 -4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.222 4.636 -3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.421 5.401 -4.774 1.00 0.00 H new ATOM 0 HG CYS A 39 0.322 2.384 -4.678 1.00 0.00 H new ATOM 612 N ALA A 40 3.022 7.317 -6.351 1.00 0.00 N ATOM 613 CA ALA A 40 3.018 8.048 -7.607 1.00 0.00 C ATOM 614 C ALA A 40 4.347 7.819 -8.330 1.00 0.00 C ATOM 615 O ALA A 40 4.366 7.380 -9.478 1.00 0.00 O ATOM 616 CB ALA A 40 2.749 9.529 -7.335 1.00 0.00 C ATOM 0 H ALA A 40 3.450 7.814 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 40 2.222 7.687 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.746 10.077 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.780 9.639 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.529 9.927 -6.686 1.00 0.00 H new ATOM 622 N SER A 41 5.427 8.128 -7.627 1.00 0.00 N ATOM 623 CA SER A 41 6.757 7.963 -8.186 1.00 0.00 C ATOM 624 C SER A 41 7.791 7.880 -7.062 1.00 0.00 C ATOM 625 O SER A 41 8.891 8.419 -7.185 1.00 0.00 O ATOM 626 CB SER A 41 7.100 9.108 -9.141 1.00 0.00 C ATOM 627 OG SER A 41 7.502 8.633 -10.422 1.00 0.00 O ATOM 0 H SER A 41 5.407 8.492 -6.674 1.00 0.00 H new ATOM 0 HA SER A 41 6.775 7.034 -8.756 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.233 9.760 -9.252 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.899 9.711 -8.711 1.00 0.00 H new ATOM 0 HG SER A 41 7.711 9.394 -11.003 1.00 0.00 H new ATOM 633 N GLU A 42 7.403 7.203 -5.992 1.00 0.00 N ATOM 634 CA GLU A 42 8.283 7.043 -4.847 1.00 0.00 C ATOM 635 C GLU A 42 8.625 5.566 -4.642 1.00 0.00 C ATOM 636 O GLU A 42 9.794 5.209 -4.505 1.00 0.00 O ATOM 637 CB GLU A 42 7.655 7.641 -3.586 1.00 0.00 C ATOM 638 CG GLU A 42 8.728 7.987 -2.551 1.00 0.00 C ATOM 639 CD GLU A 42 9.170 9.445 -2.686 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.303 10.270 -3.049 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.364 9.703 -2.424 1.00 0.00 O ATOM 0 H GLU A 42 6.490 6.758 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 42 9.208 7.585 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.092 8.538 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.946 6.933 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.340 7.812 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.588 7.329 -2.679 1.00 0.00 H new ATOM 648 N TRP A 43 7.584 4.747 -4.628 1.00 0.00 N ATOM 649 CA TRP A 43 7.760 3.317 -4.442 1.00 0.00 C ATOM 650 C TRP A 43 8.275 2.729 -5.757 1.00 0.00 C ATOM 651 O TRP A 43 9.198 1.916 -5.758 1.00 0.00 O ATOM 652 CB TRP A 43 6.463 2.662 -3.962 1.00 0.00 C ATOM 653 CG TRP A 43 6.121 2.956 -2.500 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.948 3.351 -1.523 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.818 2.863 -1.886 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.277 3.518 -0.328 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.941 3.211 -0.557 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.577 2.495 -2.436 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.861 3.227 0.334 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.508 2.516 -1.532 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.615 2.865 -0.191 1.00 0.00 C ATOM 0 H TRP A 43 6.616 5.046 -4.742 1.00 0.00 H new ATOM 0 HA TRP A 43 8.493 3.118 -3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.641 3.002 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.542 1.583 -4.096 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.007 3.518 -1.654 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.686 3.812 0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.458 2.218 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.983 3.504 1.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.531 2.242 -1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.741 2.857 0.443 1.00 0.00 H new ATOM 672 N PRO A 44 7.639 3.174 -6.874 1.00 0.00 N ATOM 673 CA PRO A 44 8.024 2.701 -8.193 1.00 0.00 C ATOM 674 C PRO A 44 9.338 3.342 -8.644 1.00 0.00 C ATOM 675 O PRO A 44 9.813 3.081 -9.748 1.00 0.00 O ATOM 676 CB PRO A 44 6.851 3.053 -9.094 1.00 0.00 C ATOM 677 CG PRO A 44 6.060 4.117 -8.352 1.00 0.00 C ATOM 678 CD PRO A 44 6.542 4.136 -6.910 1.00 0.00 C ATOM 0 HA PRO A 44 8.219 1.629 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.197 3.425 -10.058 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.235 2.176 -9.293 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.205 5.093 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.993 3.899 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.878 5.131 -6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.745 3.854 -6.222 1.00 0.00 H new ATOM 686 N THR A 45 9.888 4.168 -7.766 1.00 0.00 N ATOM 687 CA THR A 45 11.138 4.848 -8.060 1.00 0.00 C ATOM 688 C THR A 45 12.264 4.297 -7.182 1.00 0.00 C ATOM 689 O THR A 45 13.292 4.949 -7.003 1.00 0.00 O ATOM 690 CB THR A 45 10.911 6.351 -7.885 1.00 0.00 C ATOM 691 OG1 THR A 45 10.125 6.448 -6.701 1.00 0.00 O ATOM 692 CG2 THR A 45 10.015 6.938 -8.977 1.00 0.00 C ATOM 0 H THR A 45 9.491 4.382 -6.851 1.00 0.00 H new ATOM 0 HA THR A 45 11.453 4.670 -9.088 1.00 0.00 H new ATOM 0 HB THR A 45 11.872 6.866 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.523 5.894 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.886 8.007 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.477 6.780 -9.951 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.042 6.447 -8.953 1.00 0.00 H new ATOM 700 N PHE A 46 12.032 3.103 -6.657 1.00 0.00 N ATOM 701 CA PHE A 46 13.013 2.457 -5.802 1.00 0.00 C ATOM 702 C PHE A 46 13.768 1.365 -6.563 1.00 0.00 C ATOM 703 O PHE A 46 14.560 0.629 -5.975 1.00 0.00 O ATOM 704 CB PHE A 46 12.246 1.818 -4.643 1.00 0.00 C ATOM 705 CG PHE A 46 11.812 2.810 -3.562 1.00 0.00 C ATOM 706 CD1 PHE A 46 12.006 4.144 -3.746 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.232 2.359 -2.418 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.603 5.065 -2.743 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.829 3.279 -1.415 1.00 0.00 C ATOM 710 CZ PHE A 46 11.023 4.613 -1.598 1.00 0.00 C ATOM 0 H PHE A 46 11.178 2.566 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 46 13.741 3.189 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.362 1.317 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.871 1.050 -4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.466 4.502 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.078 1.300 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.757 6.124 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.368 2.920 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.717 5.313 -0.835 1.00 0.00 H new ATOM 720 N ASP A 47 13.496 1.293 -7.857 1.00 0.00 N ATOM 721 CA ASP A 47 14.140 0.303 -8.704 1.00 0.00 C ATOM 722 C ASP A 47 14.067 -1.066 -8.025 1.00 0.00 C ATOM 723 O ASP A 47 15.024 -1.495 -7.382 1.00 0.00 O ATOM 724 CB ASP A 47 15.615 0.643 -8.926 1.00 0.00 C ATOM 725 CG ASP A 47 15.887 1.627 -10.065 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.977 1.151 -11.217 1.00 0.00 O ATOM 727 OD2 ASP A 47 15.999 2.834 -9.759 1.00 0.00 O ATOM 0 H ASP A 47 12.838 1.904 -8.340 1.00 0.00 H new ATOM 0 HA ASP A 47 13.624 0.294 -9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.020 1.058 -8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.159 -0.280 -9.126 1.00 0.00 H new ATOM 732 N VAL A 48 12.924 -1.714 -8.191 1.00 0.00 N ATOM 733 CA VAL A 48 12.714 -3.026 -7.603 1.00 0.00 C ATOM 734 C VAL A 48 11.720 -3.812 -8.460 1.00 0.00 C ATOM 735 O VAL A 48 12.046 -4.884 -8.968 1.00 0.00 O ATOM 736 CB VAL A 48 12.264 -2.880 -6.148 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.420 -2.414 -5.260 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.069 -1.932 -6.035 1.00 0.00 C ATOM 0 H VAL A 48 12.133 -1.355 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 48 13.646 -3.591 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 48 11.946 -3.862 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 48 13.073 -2.318 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.229 -3.143 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.783 -1.448 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.770 -1.847 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.347 -0.949 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.237 -2.324 -6.620 1.00 0.00 H new ATOM 748 N GLY A 49 10.529 -3.249 -8.594 1.00 0.00 N ATOM 749 CA GLY A 49 9.485 -3.883 -9.382 1.00 0.00 C ATOM 750 C GLY A 49 8.098 -3.452 -8.903 1.00 0.00 C ATOM 751 O GLY A 49 7.178 -4.266 -8.839 1.00 0.00 O ATOM 0 H GLY A 49 10.263 -2.360 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.608 -3.621 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.578 -4.967 -9.310 1.00 0.00 H new ATOM 755 N TRP A 50 7.990 -2.172 -8.579 1.00 0.00 N ATOM 756 CA TRP A 50 6.730 -1.622 -8.108 1.00 0.00 C ATOM 757 C TRP A 50 6.126 -0.788 -9.239 1.00 0.00 C ATOM 758 O TRP A 50 6.775 0.113 -9.766 1.00 0.00 O ATOM 759 CB TRP A 50 6.929 -0.824 -6.817 1.00 0.00 C ATOM 760 CG TRP A 50 5.667 -0.112 -6.326 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.195 1.084 -6.704 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.729 -0.602 -5.345 1.00 0.00 C ATOM 763 NE1 TRP A 50 4.026 1.399 -6.041 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.734 0.341 -5.188 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.722 -1.804 -4.615 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.658 0.181 -4.306 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.640 -1.948 -3.737 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.630 -1.008 -3.568 1.00 0.00 C ATOM 0 H TRP A 50 8.755 -1.499 -8.633 1.00 0.00 H new ATOM 0 HA TRP A 50 6.032 -2.420 -7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.281 -1.498 -6.036 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.713 -0.084 -6.977 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.670 1.721 -7.435 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.477 2.251 -6.156 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.490 -2.556 -4.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.891 0.934 -4.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.587 -2.853 -3.150 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.827 -1.194 -2.870 1.00 0.00 H new ATOM 779 N PRO A 51 4.856 -1.128 -9.588 1.00 0.00 N ATOM 780 CA PRO A 51 4.157 -0.421 -10.648 1.00 0.00 C ATOM 781 C PRO A 51 3.694 0.958 -10.173 1.00 0.00 C ATOM 782 O PRO A 51 3.678 1.234 -8.975 1.00 0.00 O ATOM 783 CB PRO A 51 3.004 -1.333 -11.035 1.00 0.00 C ATOM 784 CG PRO A 51 2.825 -2.295 -9.872 1.00 0.00 C ATOM 785 CD PRO A 51 4.056 -2.190 -8.986 1.00 0.00 C ATOM 0 HA PRO A 51 4.793 -0.218 -11.509 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.094 -0.759 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.224 -1.871 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.926 -2.048 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.703 -3.315 -10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.785 -1.948 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.605 -3.131 -8.957 1.00 0.00 H new ATOM 793 N PRO A 52 3.319 1.811 -11.165 1.00 0.00 N ATOM 794 CA PRO A 52 2.858 3.155 -10.861 1.00 0.00 C ATOM 795 C PRO A 52 1.436 3.132 -10.296 1.00 0.00 C ATOM 796 O PRO A 52 1.100 3.925 -9.418 1.00 0.00 O ATOM 797 CB PRO A 52 2.963 3.913 -12.174 1.00 0.00 C ATOM 798 CG PRO A 52 3.036 2.854 -13.262 1.00 0.00 C ATOM 799 CD PRO A 52 3.325 1.519 -12.595 1.00 0.00 C ATOM 0 HA PRO A 52 3.454 3.640 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.101 4.564 -12.319 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.848 4.549 -12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.098 2.809 -13.815 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.818 3.099 -13.981 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.569 0.777 -12.851 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.287 1.117 -12.913 1.00 0.00 H new ATOM 807 N GLU A 53 0.639 2.214 -10.824 1.00 0.00 N ATOM 808 CA GLU A 53 -0.739 2.078 -10.384 1.00 0.00 C ATOM 809 C GLU A 53 -0.796 1.363 -9.032 1.00 0.00 C ATOM 810 O GLU A 53 -1.774 1.492 -8.298 1.00 0.00 O ATOM 811 CB GLU A 53 -1.578 1.341 -11.429 1.00 0.00 C ATOM 812 CG GLU A 53 -2.029 2.291 -12.540 1.00 0.00 C ATOM 813 CD GLU A 53 -2.835 3.460 -11.968 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.877 3.176 -11.338 1.00 0.00 O ATOM 815 OE2 GLU A 53 -2.391 4.610 -12.174 1.00 0.00 O ATOM 0 H GLU A 53 0.921 1.558 -11.552 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.162 3.075 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.996 0.525 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.450 0.895 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.158 2.672 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.635 1.747 -13.265 1.00 0.00 H new ATOM 822 N GLY A 54 0.266 0.624 -8.744 1.00 0.00 N ATOM 823 CA GLY A 54 0.349 -0.111 -7.494 1.00 0.00 C ATOM 824 C GLY A 54 0.122 -1.607 -7.721 1.00 0.00 C ATOM 825 O GLY A 54 -0.192 -2.029 -8.833 1.00 0.00 O ATOM 0 H GLY A 54 1.076 0.519 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.327 0.047 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.394 0.271 -6.794 1.00 0.00 H new ATOM 829 N THR A 55 0.289 -2.368 -6.649 1.00 0.00 N ATOM 830 CA THR A 55 0.106 -3.808 -6.718 1.00 0.00 C ATOM 831 C THR A 55 -0.197 -4.374 -5.329 1.00 0.00 C ATOM 832 O THR A 55 0.385 -3.938 -4.337 1.00 0.00 O ATOM 833 CB THR A 55 1.355 -4.413 -7.361 1.00 0.00 C ATOM 834 OG1 THR A 55 0.977 -5.754 -7.659 1.00 0.00 O ATOM 835 CG2 THR A 55 2.511 -4.563 -6.370 1.00 0.00 C ATOM 0 H THR A 55 0.549 -2.015 -5.728 1.00 0.00 H new ATOM 0 HA THR A 55 -0.754 -4.068 -7.336 1.00 0.00 H new ATOM 0 HB THR A 55 1.672 -3.788 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.729 -6.220 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.372 -4.997 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.779 -3.584 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.206 -5.215 -5.552 1.00 0.00 H new ATOM 843 N PHE A 56 -1.108 -5.335 -5.303 1.00 0.00 N ATOM 844 CA PHE A 56 -1.496 -5.965 -4.053 1.00 0.00 C ATOM 845 C PHE A 56 -0.741 -7.280 -3.844 1.00 0.00 C ATOM 846 O PHE A 56 -1.327 -8.277 -3.428 1.00 0.00 O ATOM 847 CB PHE A 56 -2.994 -6.261 -4.146 1.00 0.00 C ATOM 848 CG PHE A 56 -3.884 -5.030 -3.962 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.736 -4.243 -2.862 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.822 -4.723 -4.897 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.562 -3.100 -2.691 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.648 -3.581 -4.726 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.501 -2.794 -3.627 1.00 0.00 C ATOM 0 H PHE A 56 -1.589 -5.693 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.263 -5.306 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.206 -6.708 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.255 -7.002 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.991 -4.487 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.939 -5.348 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.445 -2.474 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.393 -3.337 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.130 -1.926 -3.497 1.00 0.00 H new ATOM 863 N ASP A 57 0.550 -7.237 -4.142 1.00 0.00 N ATOM 864 CA ASP A 57 1.391 -8.412 -3.992 1.00 0.00 C ATOM 865 C ASP A 57 2.215 -8.284 -2.709 1.00 0.00 C ATOM 866 O ASP A 57 2.815 -7.242 -2.454 1.00 0.00 O ATOM 867 CB ASP A 57 2.363 -8.547 -5.166 1.00 0.00 C ATOM 868 CG ASP A 57 3.137 -9.866 -5.216 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.062 -10.607 -4.212 1.00 0.00 O ATOM 870 OD2 ASP A 57 3.785 -10.104 -6.258 1.00 0.00 O ATOM 0 H ASP A 57 1.033 -6.407 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 57 0.743 -9.288 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.804 -8.435 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.078 -7.725 -5.123 1.00 0.00 H new ATOM 875 N LEU A 58 2.216 -9.360 -1.935 1.00 0.00 N ATOM 876 CA LEU A 58 2.956 -9.381 -0.684 1.00 0.00 C ATOM 877 C LEU A 58 4.455 -9.428 -0.984 1.00 0.00 C ATOM 878 O LEU A 58 5.269 -8.997 -0.169 1.00 0.00 O ATOM 879 CB LEU A 58 2.471 -10.527 0.206 1.00 0.00 C ATOM 880 CG LEU A 58 2.189 -10.168 1.667 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.491 -9.911 2.429 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.224 -8.985 1.765 1.00 0.00 C ATOM 0 H LEU A 58 1.716 -10.223 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 58 2.772 -8.468 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.560 -10.938 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.220 -11.319 0.185 1.00 0.00 H new ATOM 0 HG LEU A 58 1.701 -11.020 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.263 -9.658 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.111 -10.807 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.028 -9.085 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.041 -8.751 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.661 -8.117 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.282 -9.243 1.281 1.00 0.00 H new ATOM 894 N THR A 59 4.775 -9.954 -2.157 1.00 0.00 N ATOM 895 CA THR A 59 6.163 -10.063 -2.575 1.00 0.00 C ATOM 896 C THR A 59 6.707 -8.691 -2.978 1.00 0.00 C ATOM 897 O THR A 59 7.750 -8.264 -2.484 1.00 0.00 O ATOM 898 CB THR A 59 6.238 -11.100 -3.698 1.00 0.00 C ATOM 899 OG1 THR A 59 5.990 -12.340 -3.042 1.00 0.00 O ATOM 900 CG2 THR A 59 7.653 -11.252 -4.260 1.00 0.00 C ATOM 0 H THR A 59 4.097 -10.309 -2.831 1.00 0.00 H new ATOM 0 HA THR A 59 6.798 -10.402 -1.756 1.00 0.00 H new ATOM 0 HB THR A 59 5.557 -10.816 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.018 -13.068 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.651 -11.999 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.989 -10.296 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.328 -11.569 -3.465 1.00 0.00 H new ATOM 908 N VAL A 60 5.977 -8.039 -3.871 1.00 0.00 N ATOM 909 CA VAL A 60 6.374 -6.724 -4.345 1.00 0.00 C ATOM 910 C VAL A 60 6.282 -5.721 -3.193 1.00 0.00 C ATOM 911 O VAL A 60 7.103 -4.812 -3.089 1.00 0.00 O ATOM 912 CB VAL A 60 5.525 -6.325 -5.554 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.971 -4.973 -6.115 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.567 -7.408 -6.634 1.00 0.00 C ATOM 0 H VAL A 60 5.113 -8.397 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 60 7.410 -6.737 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 60 4.492 -6.225 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.352 -4.713 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.866 -4.207 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.014 -5.034 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.956 -7.100 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.596 -7.555 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.179 -8.342 -6.228 1.00 0.00 H new ATOM 924 N ILE A 61 5.274 -5.921 -2.357 1.00 0.00 N ATOM 925 CA ILE A 61 5.063 -5.046 -1.216 1.00 0.00 C ATOM 926 C ILE A 61 6.276 -5.124 -0.287 1.00 0.00 C ATOM 927 O ILE A 61 6.773 -4.100 0.178 1.00 0.00 O ATOM 928 CB ILE A 61 3.738 -5.375 -0.526 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.560 -4.744 -1.271 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.770 -4.965 0.948 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.228 -5.306 -0.768 1.00 0.00 C ATOM 0 H ILE A 61 4.594 -6.676 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 61 4.977 -4.009 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 61 3.597 -6.455 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.577 -3.663 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.658 -4.933 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.816 -5.210 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.571 -5.501 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.946 -3.892 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.407 -4.841 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.205 -6.384 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.122 -5.094 0.296 1.00 0.00 H new ATOM 943 N PHE A 62 6.718 -6.350 -0.046 1.00 0.00 N ATOM 944 CA PHE A 62 7.864 -6.575 0.819 1.00 0.00 C ATOM 945 C PHE A 62 9.115 -5.896 0.260 1.00 0.00 C ATOM 946 O PHE A 62 9.966 -5.433 1.018 1.00 0.00 O ATOM 947 CB PHE A 62 8.097 -8.087 0.868 1.00 0.00 C ATOM 948 CG PHE A 62 7.594 -8.753 2.150 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.325 -8.525 2.582 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.416 -9.574 2.857 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.858 -9.143 3.772 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.949 -10.192 4.047 1.00 0.00 C ATOM 953 CZ PHE A 62 6.680 -9.964 4.480 1.00 0.00 C ATOM 0 H PHE A 62 6.303 -7.197 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 62 7.670 -6.161 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.603 -8.548 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.164 -8.283 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.672 -7.874 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.424 -9.756 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.850 -8.961 4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.602 -10.844 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.325 -10.434 5.385 1.00 0.00 H new ATOM 963 N GLU A 63 9.187 -5.858 -1.063 1.00 0.00 N ATOM 964 CA GLU A 63 10.321 -5.243 -1.733 1.00 0.00 C ATOM 965 C GLU A 63 10.456 -3.778 -1.310 1.00 0.00 C ATOM 966 O GLU A 63 11.529 -3.346 -0.892 1.00 0.00 O ATOM 967 CB GLU A 63 10.192 -5.365 -3.252 1.00 0.00 C ATOM 968 CG GLU A 63 10.293 -6.826 -3.695 1.00 0.00 C ATOM 969 CD GLU A 63 9.783 -7.002 -5.127 1.00 0.00 C ATOM 970 OE1 GLU A 63 9.948 -6.042 -5.910 1.00 0.00 O ATOM 971 OE2 GLU A 63 9.239 -8.093 -5.405 1.00 0.00 O ATOM 0 H GLU A 63 8.479 -6.243 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 63 11.226 -5.772 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.238 -4.949 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.974 -4.780 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.329 -7.158 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.714 -7.455 -3.019 1.00 0.00 H new ATOM 978 N VAL A 64 9.353 -3.055 -1.435 1.00 0.00 N ATOM 979 CA VAL A 64 9.335 -1.648 -1.072 1.00 0.00 C ATOM 980 C VAL A 64 9.491 -1.516 0.444 1.00 0.00 C ATOM 981 O VAL A 64 10.116 -0.573 0.928 1.00 0.00 O ATOM 982 CB VAL A 64 8.061 -0.987 -1.602 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.818 0.360 -0.919 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.117 -0.830 -3.122 1.00 0.00 C ATOM 0 H VAL A 64 8.465 -3.417 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 64 10.172 -1.124 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 64 7.221 -1.639 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.906 0.809 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.713 0.209 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.662 1.023 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.200 -0.358 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.971 -0.209 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.220 -1.811 -3.586 1.00 0.00 H new ATOM 994 N LYS A 65 8.913 -2.474 1.153 1.00 0.00 N ATOM 995 CA LYS A 65 8.980 -2.477 2.604 1.00 0.00 C ATOM 996 C LYS A 65 10.436 -2.647 3.043 1.00 0.00 C ATOM 997 O LYS A 65 10.863 -2.053 4.032 1.00 0.00 O ATOM 998 CB LYS A 65 8.036 -3.533 3.183 1.00 0.00 C ATOM 999 CG LYS A 65 8.058 -3.509 4.712 1.00 0.00 C ATOM 1000 CD LYS A 65 7.695 -4.880 5.287 1.00 0.00 C ATOM 1001 CE LYS A 65 8.522 -5.187 6.538 1.00 0.00 C ATOM 1002 NZ LYS A 65 9.120 -6.537 6.444 1.00 0.00 N ATOM 0 H LYS A 65 8.395 -3.255 0.749 1.00 0.00 H new ATOM 0 HA LYS A 65 8.636 -1.523 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.021 -3.353 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.328 -4.521 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.048 -3.215 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.356 -2.760 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.633 -4.905 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.866 -5.651 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.309 -4.441 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.890 -5.123 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.678 -6.730 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.364 -7.246 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.739 -6.585 5.610 1.00 0.00 H new ATOM 1016 N ALA A 66 11.157 -3.460 2.286 1.00 0.00 N ATOM 1017 CA ALA A 66 12.556 -3.716 2.584 1.00 0.00 C ATOM 1018 C ALA A 66 13.329 -2.396 2.554 1.00 0.00 C ATOM 1019 O ALA A 66 14.016 -2.053 3.515 1.00 0.00 O ATOM 1020 CB ALA A 66 13.111 -4.739 1.592 1.00 0.00 C ATOM 0 H ALA A 66 10.799 -3.950 1.466 1.00 0.00 H new ATOM 0 HA ALA A 66 12.664 -4.139 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.160 -4.931 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.547 -5.668 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.022 -4.348 0.578 1.00 0.00 H new ATOM 1026 N ILE A 67 13.190 -1.691 1.441 1.00 0.00 N ATOM 1027 CA ILE A 67 13.867 -0.416 1.273 1.00 0.00 C ATOM 1028 C ILE A 67 13.299 0.593 2.272 1.00 0.00 C ATOM 1029 O ILE A 67 14.044 1.372 2.865 1.00 0.00 O ATOM 1030 CB ILE A 67 13.784 0.046 -0.183 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.487 -0.944 -1.114 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.331 1.467 -0.339 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.522 -1.479 -2.174 1.00 0.00 C ATOM 0 H ILE A 67 12.619 -1.978 0.646 1.00 0.00 H new ATOM 0 HA ILE A 67 14.930 -0.517 1.491 1.00 0.00 H new ATOM 0 HB ILE A 67 12.734 0.071 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.332 -0.455 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.890 -1.773 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.261 1.771 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.749 2.151 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.374 1.492 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.047 -2.180 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.691 -1.988 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.140 -0.650 -2.770 1.00 0.00 H new ATOM 1045 N VAL A 68 11.984 0.548 2.428 1.00 0.00 N ATOM 1046 CA VAL A 68 11.308 1.449 3.345 1.00 0.00 C ATOM 1047 C VAL A 68 11.828 1.210 4.764 1.00 0.00 C ATOM 1048 O VAL A 68 12.153 2.157 5.478 1.00 0.00 O ATOM 1049 CB VAL A 68 9.792 1.276 3.227 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.077 1.859 4.447 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.268 1.901 1.933 1.00 0.00 C ATOM 0 H VAL A 68 11.369 -0.099 1.934 1.00 0.00 H new ATOM 0 HA VAL A 68 11.524 2.486 3.090 1.00 0.00 H new ATOM 0 HB VAL A 68 9.578 0.208 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.001 1.723 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.418 1.348 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.302 2.923 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.188 1.764 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.500 2.966 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.742 1.419 1.078 1.00 0.00 H new ATOM 1061 N PHE A 69 11.890 -0.062 5.131 1.00 0.00 N ATOM 1062 CA PHE A 69 12.365 -0.437 6.452 1.00 0.00 C ATOM 1063 C PHE A 69 13.850 -0.803 6.417 1.00 0.00 C ATOM 1064 O PHE A 69 14.252 -1.835 6.953 1.00 0.00 O ATOM 1065 CB PHE A 69 11.560 -1.664 6.885 1.00 0.00 C ATOM 1066 CG PHE A 69 10.111 -1.355 7.266 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.235 -0.926 6.318 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.698 -1.508 8.553 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.890 -0.638 6.671 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.353 -1.221 8.906 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.478 -0.792 7.958 1.00 0.00 C ATOM 0 H PHE A 69 11.619 -0.845 4.537 1.00 0.00 H new ATOM 0 HA PHE A 69 12.240 0.397 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.564 -2.393 6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.057 -2.130 7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.563 -0.804 5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.393 -1.848 9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.195 -0.297 5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.025 -1.343 9.928 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.455 -0.573 8.227 1.00 0.00 H new ATOM 1081 N GLN A 70 14.625 0.062 5.780 1.00 0.00 N ATOM 1082 CA GLN A 70 16.057 -0.157 5.669 1.00 0.00 C ATOM 1083 C GLN A 70 16.799 0.609 6.766 1.00 0.00 C ATOM 1084 O GLN A 70 16.186 1.346 7.536 1.00 0.00 O ATOM 1085 CB GLN A 70 16.567 0.242 4.282 1.00 0.00 C ATOM 1086 CG GLN A 70 16.646 1.764 4.144 1.00 0.00 C ATOM 1087 CD GLN A 70 17.383 2.160 2.863 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.536 2.560 2.878 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.655 2.029 1.758 1.00 0.00 N ATOM 0 H GLN A 70 14.288 0.916 5.335 1.00 0.00 H new ATOM 0 HA GLN A 70 16.252 -1.221 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.552 -0.194 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.904 -0.162 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.640 2.185 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.159 2.185 5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.695 1.688 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.056 2.269 0.852 1.00 0.00 H new ATOM 1098 N ASP A 71 18.108 0.408 6.803 1.00 0.00 N ATOM 1099 CA ASP A 71 18.940 1.070 7.793 1.00 0.00 C ATOM 1100 C ASP A 71 19.561 2.324 7.175 1.00 0.00 C ATOM 1101 O ASP A 71 19.986 2.306 6.020 1.00 0.00 O ATOM 1102 CB ASP A 71 20.077 0.158 8.256 1.00 0.00 C ATOM 1103 CG ASP A 71 20.891 0.688 9.439 1.00 0.00 C ATOM 1104 OD1 ASP A 71 20.328 0.698 10.555 1.00 0.00 O ATOM 1105 OD2 ASP A 71 22.056 1.071 9.200 1.00 0.00 O ATOM 0 H ASP A 71 18.613 -0.204 6.163 1.00 0.00 H new ATOM 0 HA ASP A 71 18.311 1.323 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.658 -0.811 8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.752 -0.011 7.417 1.00 0.00 H new ATOM 1110 N GLY A 72 19.594 3.384 7.970 1.00 0.00 N ATOM 1111 CA GLY A 72 20.156 4.644 7.515 1.00 0.00 C ATOM 1112 C GLY A 72 19.058 5.687 7.298 1.00 0.00 C ATOM 1113 O GLY A 72 17.903 5.462 7.655 1.00 0.00 O ATOM 0 H GLY A 72 19.240 3.396 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.873 5.013 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.703 4.488 6.585 1.00 0.00 H new ATOM 1117 N PRO A 73 19.469 6.837 6.700 1.00 0.00 N ATOM 1118 CA PRO A 73 18.534 7.916 6.431 1.00 0.00 C ATOM 1119 C PRO A 73 17.633 7.578 5.242 1.00 0.00 C ATOM 1120 O PRO A 73 16.725 8.338 4.910 1.00 0.00 O ATOM 1121 CB PRO A 73 19.403 9.139 6.189 1.00 0.00 C ATOM 1122 CG PRO A 73 20.791 8.608 5.871 1.00 0.00 C ATOM 1123 CD PRO A 73 20.829 7.140 6.264 1.00 0.00 C ATOM 0 HA PRO A 73 17.845 8.091 7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.015 9.737 5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.423 9.784 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.011 8.725 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.549 9.169 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.124 6.513 5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.549 6.962 7.062 1.00 0.00 H new ATOM 1131 N GLY A 74 17.916 6.436 4.632 1.00 0.00 N ATOM 1132 CA GLY A 74 17.142 5.988 3.487 1.00 0.00 C ATOM 1133 C GLY A 74 15.774 5.459 3.922 1.00 0.00 C ATOM 1134 O GLY A 74 14.784 5.633 3.213 1.00 0.00 O ATOM 0 H GLY A 74 18.670 5.808 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.011 6.813 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.687 5.206 2.959 1.00 0.00 H new ATOM 1138 N SER A 75 15.763 4.826 5.085 1.00 0.00 N ATOM 1139 CA SER A 75 14.532 4.271 5.623 1.00 0.00 C ATOM 1140 C SER A 75 13.392 5.280 5.469 1.00 0.00 C ATOM 1141 O SER A 75 13.622 6.488 5.479 1.00 0.00 O ATOM 1142 CB SER A 75 14.700 3.881 7.093 1.00 0.00 C ATOM 1143 OG SER A 75 16.065 3.910 7.500 1.00 0.00 O ATOM 0 H SER A 75 16.586 4.685 5.670 1.00 0.00 H new ATOM 0 HA SER A 75 14.289 3.369 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.121 4.562 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.296 2.881 7.251 1.00 0.00 H new ATOM 0 HG SER A 75 16.393 4.833 7.480 1.00 0.00 H new ATOM 1149 N HIS A 76 12.187 4.746 5.330 1.00 0.00 N ATOM 1150 CA HIS A 76 11.011 5.584 5.173 1.00 0.00 C ATOM 1151 C HIS A 76 10.080 5.392 6.372 1.00 0.00 C ATOM 1152 O HIS A 76 9.219 4.514 6.359 1.00 0.00 O ATOM 1153 CB HIS A 76 10.320 5.308 3.836 1.00 0.00 C ATOM 1154 CG HIS A 76 11.205 5.526 2.632 1.00 0.00 C ATOM 1155 ND1 HIS A 76 11.859 6.721 2.388 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.537 4.689 1.607 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.550 6.598 1.264 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.348 5.338 0.781 1.00 0.00 N ATOM 0 H HIS A 76 12.000 3.743 5.323 1.00 0.00 H new ATOM 0 HA HIS A 76 11.308 6.632 5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.962 4.279 3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.444 5.951 3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.197 3.671 1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.165 7.361 0.810 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.754 4.958 -0.074 1.00 0.00 H new ATOM 1166 N PRO A 77 10.291 6.249 7.407 1.00 0.00 N ATOM 1167 CA PRO A 77 9.481 6.181 8.612 1.00 0.00 C ATOM 1168 C PRO A 77 8.087 6.763 8.368 1.00 0.00 C ATOM 1169 O PRO A 77 7.165 6.520 9.145 1.00 0.00 O ATOM 1170 CB PRO A 77 10.270 6.948 9.660 1.00 0.00 C ATOM 1171 CG PRO A 77 11.260 7.807 8.890 1.00 0.00 C ATOM 1172 CD PRO A 77 11.302 7.300 7.458 1.00 0.00 C ATOM 0 HA PRO A 77 9.299 5.158 8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.611 7.564 10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.787 6.267 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.958 8.854 8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.249 7.750 9.344 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.080 8.098 6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.289 6.913 7.204 1.00 0.00 H new ATOM 1180 N ASP A 78 7.977 7.520 7.286 1.00 0.00 N ATOM 1181 CA ASP A 78 6.712 8.139 6.931 1.00 0.00 C ATOM 1182 C ASP A 78 5.902 7.172 6.064 1.00 0.00 C ATOM 1183 O ASP A 78 4.678 7.114 6.170 1.00 0.00 O ATOM 1184 CB ASP A 78 6.932 9.422 6.128 1.00 0.00 C ATOM 1185 CG ASP A 78 7.024 10.700 6.965 1.00 0.00 C ATOM 1186 OD1 ASP A 78 7.475 10.588 8.125 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.641 11.761 6.425 1.00 0.00 O ATOM 0 H ASP A 78 8.744 7.719 6.644 1.00 0.00 H new ATOM 0 HA ASP A 78 6.183 8.378 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.850 9.318 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.115 9.531 5.414 1.00 0.00 H new ATOM 1192 N GLN A 79 6.619 6.437 5.227 1.00 0.00 N ATOM 1193 CA GLN A 79 5.982 5.476 4.342 1.00 0.00 C ATOM 1194 C GLN A 79 5.845 4.121 5.041 1.00 0.00 C ATOM 1195 O GLN A 79 5.066 3.273 4.610 1.00 0.00 O ATOM 1196 CB GLN A 79 6.758 5.340 3.030 1.00 0.00 C ATOM 1197 CG GLN A 79 7.003 6.710 2.394 1.00 0.00 C ATOM 1198 CD GLN A 79 8.028 6.613 1.262 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.921 5.797 0.361 1.00 0.00 O ATOM 1200 NE2 GLN A 79 9.024 7.489 1.358 1.00 0.00 N ATOM 0 H GLN A 79 7.634 6.487 5.143 1.00 0.00 H new ATOM 0 HA GLN A 79 4.984 5.841 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.711 4.846 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.202 4.708 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.065 7.108 2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.358 7.409 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.053 8.145 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.759 7.505 0.651 1.00 0.00 H new ATOM 1209 N GLN A 80 6.615 3.961 6.107 1.00 0.00 N ATOM 1210 CA GLN A 80 6.589 2.724 6.869 1.00 0.00 C ATOM 1211 C GLN A 80 5.147 2.330 7.193 1.00 0.00 C ATOM 1212 O GLN A 80 4.752 1.183 6.991 1.00 0.00 O ATOM 1213 CB GLN A 80 7.423 2.849 8.146 1.00 0.00 C ATOM 1214 CG GLN A 80 8.814 2.241 7.954 1.00 0.00 C ATOM 1215 CD GLN A 80 9.822 2.861 8.924 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.604 2.936 10.122 1.00 0.00 O ATOM 1217 NE2 GLN A 80 10.935 3.298 8.341 1.00 0.00 N ATOM 0 H GLN A 80 7.261 4.667 6.461 1.00 0.00 H new ATOM 0 HA GLN A 80 7.032 1.936 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.516 3.899 8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.913 2.347 8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.769 1.163 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.146 2.400 6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.053 3.204 7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.670 3.727 8.903 1.00 0.00 H new ATOM 1226 N PRO A 81 4.379 3.330 7.704 1.00 0.00 N ATOM 1227 CA PRO A 81 2.988 3.099 8.058 1.00 0.00 C ATOM 1228 C PRO A 81 2.111 3.017 6.807 1.00 0.00 C ATOM 1229 O PRO A 81 1.033 2.425 6.839 1.00 0.00 O ATOM 1230 CB PRO A 81 2.617 4.258 8.969 1.00 0.00 C ATOM 1231 CG PRO A 81 3.660 5.335 8.720 1.00 0.00 C ATOM 1232 CD PRO A 81 4.812 4.701 7.957 1.00 0.00 C ATOM 0 HA PRO A 81 2.835 2.146 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.615 4.625 8.745 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.617 3.949 10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.230 6.158 8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.011 5.752 9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.010 5.232 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.733 4.724 8.539 1.00 0.00 H new ATOM 1240 N TYR A 82 2.605 3.619 5.736 1.00 0.00 N ATOM 1241 CA TYR A 82 1.879 3.621 4.477 1.00 0.00 C ATOM 1242 C TYR A 82 2.002 2.269 3.771 1.00 0.00 C ATOM 1243 O TYR A 82 1.003 1.697 3.339 1.00 0.00 O ATOM 1244 CB TYR A 82 2.538 4.697 3.612 1.00 0.00 C ATOM 1245 CG TYR A 82 2.168 6.127 4.008 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.374 6.560 5.302 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.627 6.985 3.072 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.026 7.907 5.676 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.279 8.332 3.445 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.495 8.726 4.728 1.00 0.00 C ATOM 1251 OH TYR A 82 1.166 9.998 5.081 1.00 0.00 O ATOM 0 H TYR A 82 3.499 4.109 5.713 1.00 0.00 H new ATOM 0 HA TYR A 82 0.819 3.811 4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.620 4.583 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.257 4.535 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.796 5.889 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.465 6.646 2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.183 8.258 6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.856 9.014 2.722 1.00 0.00 H new ATOM 0 HH TYR A 82 1.894 10.605 4.833 1.00 0.00 H new ATOM 1261 N ILE A 83 3.237 1.798 3.675 1.00 0.00 N ATOM 1262 CA ILE A 83 3.504 0.525 3.028 1.00 0.00 C ATOM 1263 C ILE A 83 2.919 -0.606 3.877 1.00 0.00 C ATOM 1264 O ILE A 83 2.399 -1.584 3.342 1.00 0.00 O ATOM 1265 CB ILE A 83 5.000 0.370 2.746 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.256 -0.770 1.758 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.788 0.191 4.045 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.704 -0.429 0.372 1.00 0.00 C ATOM 0 H ILE A 83 4.064 2.275 4.035 1.00 0.00 H new ATOM 0 HA ILE A 83 3.013 0.482 2.056 1.00 0.00 H new ATOM 0 HB ILE A 83 5.356 1.288 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.327 -0.963 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.790 -1.685 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.848 0.083 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.642 1.063 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.437 -0.701 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.899 -1.256 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.629 -0.260 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.190 0.472 -0.001 1.00 0.00 H new ATOM 1280 N THR A 84 3.023 -0.434 5.187 1.00 0.00 N ATOM 1281 CA THR A 84 2.510 -1.428 6.115 1.00 0.00 C ATOM 1282 C THR A 84 1.045 -1.740 5.807 1.00 0.00 C ATOM 1283 O THR A 84 0.668 -2.903 5.675 1.00 0.00 O ATOM 1284 CB THR A 84 2.735 -0.907 7.536 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.143 -1.013 7.726 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.144 -1.836 8.600 1.00 0.00 C ATOM 0 H THR A 84 3.455 0.378 5.628 1.00 0.00 H new ATOM 0 HA THR A 84 3.039 -2.376 6.012 1.00 0.00 H new ATOM 0 HB THR A 84 2.293 0.085 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.547 -0.121 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.331 -1.421 9.590 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.070 -1.931 8.443 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.610 -2.818 8.525 1.00 0.00 H new ATOM 1294 N VAL A 85 0.257 -0.680 5.701 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.159 -0.826 5.410 1.00 0.00 C ATOM 1296 C VAL A 85 -1.331 -1.654 4.135 1.00 0.00 C ATOM 1297 O VAL A 85 -2.155 -2.566 4.090 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.820 0.551 5.322 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.279 0.432 4.876 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.714 1.297 6.654 1.00 0.00 C ATOM 0 H VAL A 85 0.572 0.284 5.811 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.661 -1.362 6.216 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.285 1.131 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.725 1.425 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.322 -0.039 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.831 -0.175 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.192 2.273 6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.211 0.721 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.664 1.430 6.914 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.540 -1.307 3.131 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.594 -2.007 1.859 1.00 0.00 C ATOM 1312 C TRP A 86 -0.444 -3.504 2.136 1.00 0.00 C ATOM 1313 O TRP A 86 -1.168 -4.320 1.569 1.00 0.00 O ATOM 1314 CB TRP A 86 0.462 -1.470 0.892 1.00 0.00 C ATOM 1315 CG TRP A 86 -0.022 -0.306 0.025 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -0.098 0.992 0.353 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.498 -0.386 -1.335 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.586 1.750 -0.692 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.837 0.885 -1.751 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.638 -1.497 -2.186 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.337 1.167 -3.028 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.139 -1.199 -3.459 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.485 0.075 -3.892 1.00 0.00 C ATOM 0 H TRP A 86 0.142 -0.550 3.172 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.552 -1.838 1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.332 -1.147 1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.791 -2.281 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.187 1.394 1.314 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.735 2.759 -0.688 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.380 -2.500 -1.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.594 2.171 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.265 -2.017 -4.153 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.867 0.223 -4.891 1.00 0.00 H new ATOM 1334 N GLN A 87 0.502 -3.820 3.009 1.00 0.00 N ATOM 1335 CA GLN A 87 0.757 -5.205 3.369 1.00 0.00 C ATOM 1336 C GLN A 87 -0.498 -5.834 3.978 1.00 0.00 C ATOM 1337 O GLN A 87 -0.856 -6.962 3.642 1.00 0.00 O ATOM 1338 CB GLN A 87 1.945 -5.313 4.327 1.00 0.00 C ATOM 1339 CG GLN A 87 2.322 -6.775 4.569 1.00 0.00 C ATOM 1340 CD GLN A 87 2.788 -6.990 6.011 1.00 0.00 C ATOM 1341 OE1 GLN A 87 2.077 -7.523 6.847 1.00 0.00 O ATOM 1342 NE2 GLN A 87 4.018 -6.545 6.254 1.00 0.00 N ATOM 0 H GLN A 87 1.101 -3.140 3.478 1.00 0.00 H new ATOM 0 HA GLN A 87 1.013 -5.755 2.463 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.800 -4.777 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.697 -4.836 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.464 -7.415 4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.113 -7.069 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.559 -6.108 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.420 -6.641 7.187 1.00 0.00 H new ATOM 1351 N ASP A 88 -1.130 -5.078 4.863 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.337 -5.548 5.522 1.00 0.00 C ATOM 1353 C ASP A 88 -3.428 -5.778 4.475 1.00 0.00 C ATOM 1354 O ASP A 88 -4.195 -6.735 4.572 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.854 -4.515 6.525 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.441 -5.100 7.812 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -4.139 -6.131 7.700 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.178 -4.503 8.878 1.00 0.00 O ATOM 0 H ASP A 88 -0.829 -4.143 5.139 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.097 -6.472 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.035 -3.845 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.618 -3.909 6.038 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.464 -4.884 3.498 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.449 -4.977 2.434 1.00 0.00 C ATOM 1365 C LEU A 89 -4.324 -6.339 1.748 1.00 0.00 C ATOM 1366 O LEU A 89 -5.312 -7.059 1.606 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.316 -3.792 1.475 1.00 0.00 C ATOM 1368 CG LEU A 89 -5.016 -2.501 1.905 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.382 -1.283 1.230 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.522 -2.581 1.645 1.00 0.00 C ATOM 0 H LEU A 89 -2.827 -4.091 3.421 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.458 -4.915 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.256 -3.579 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.710 -4.090 0.504 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.881 -2.381 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.898 -0.379 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.330 -1.219 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.466 -1.382 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.995 -1.651 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.700 -2.737 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.945 -3.412 2.209 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.103 -6.651 1.340 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.837 -7.914 0.672 1.00 0.00 C ATOM 1384 C VAL A 90 -3.097 -9.065 1.646 1.00 0.00 C ATOM 1385 O VAL A 90 -3.916 -9.942 1.372 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.415 -7.918 0.108 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.081 -9.269 -0.527 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -1.218 -6.778 -0.893 1.00 0.00 C ATOM 0 H VAL A 90 -2.287 -6.051 1.459 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.509 -8.047 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.726 -7.758 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.065 -9.245 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.161 -10.054 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.779 -9.472 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.199 -6.804 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.921 -6.893 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.394 -5.824 -0.397 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.385 -9.027 2.762 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.529 -10.056 3.778 1.00 0.00 C ATOM 1400 C GLN A 91 -3.994 -10.480 3.900 1.00 0.00 C ATOM 1401 O GLN A 91 -4.313 -11.663 3.794 1.00 0.00 O ATOM 1402 CB GLN A 91 -1.983 -9.578 5.125 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.475 -9.818 5.221 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.110 -10.491 6.546 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -0.666 -11.507 6.929 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.852 -9.869 7.221 1.00 0.00 N ATOM 0 H GLN A 91 -1.706 -8.299 2.986 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.944 -10.924 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.195 -8.516 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.491 -10.103 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.149 -10.443 4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.054 -8.869 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.275 -9.022 6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.167 -10.239 8.118 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.847 -9.490 4.122 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.271 -9.746 4.260 1.00 0.00 C ATOM 1417 C ASN A 92 -7.012 -9.135 3.068 1.00 0.00 C ATOM 1418 O ASN A 92 -7.820 -8.223 3.237 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.823 -9.110 5.537 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.734 -10.080 6.716 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.642 -10.848 6.991 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.593 -10.004 7.395 1.00 0.00 N ATOM 0 H ASN A 92 -4.579 -8.510 4.210 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.418 -10.825 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.265 -8.202 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.861 -8.816 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.437 -10.611 8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.874 -9.339 7.111 1.00 0.00 H new ATOM 1429 N SER A 93 -6.710 -9.662 1.891 1.00 0.00 N ATOM 1430 CA SER A 93 -7.337 -9.180 0.672 1.00 0.00 C ATOM 1431 C SER A 93 -8.810 -8.859 0.933 1.00 0.00 C ATOM 1432 O SER A 93 -9.592 -9.746 1.270 1.00 0.00 O ATOM 1433 CB SER A 93 -7.210 -10.206 -0.456 1.00 0.00 C ATOM 1434 OG SER A 93 -8.085 -11.316 -0.269 1.00 0.00 O ATOM 0 H SER A 93 -6.039 -10.418 1.755 1.00 0.00 H new ATOM 0 HA SER A 93 -6.823 -8.271 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.432 -9.726 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.181 -10.561 -0.509 1.00 0.00 H new ATOM 0 HG SER A 93 -8.725 -11.112 0.445 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.152 -7.554 0.765 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.517 -7.104 0.978 1.00 0.00 C ATOM 1442 C PRO A 94 -11.422 -7.527 -0.181 1.00 0.00 C ATOM 1443 O PRO A 94 -10.937 -7.939 -1.234 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.415 -5.595 1.132 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.071 -5.206 0.538 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.252 -6.475 0.367 1.00 0.00 C ATOM 0 HA PRO A 94 -10.974 -7.551 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.232 -5.093 0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.478 -5.304 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.208 -4.708 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.554 -4.503 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.920 -6.596 -0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.357 -6.456 0.989 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.755 -7.409 0.058 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.732 -7.774 -0.954 1.00 0.00 C ATOM 1456 C PRO A 95 -13.801 -6.716 -2.057 1.00 0.00 C ATOM 1457 O PRO A 95 -14.195 -7.014 -3.183 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.042 -7.930 -0.198 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.852 -7.197 1.120 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.366 -6.925 1.293 1.00 0.00 C ATOM 0 HA PRO A 95 -13.474 -8.697 -1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.872 -7.507 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.273 -8.982 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.414 -6.263 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.229 -7.797 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.172 -5.863 1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.967 -7.446 2.163 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.411 -5.503 -1.695 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.423 -4.400 -2.640 1.00 0.00 C ATOM 1470 C TRP A 96 -12.169 -4.509 -3.511 1.00 0.00 C ATOM 1471 O TRP A 96 -12.019 -3.772 -4.484 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.531 -3.057 -1.914 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.476 -2.851 -0.826 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.556 -3.172 0.473 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.169 -2.261 -0.996 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.402 -2.833 1.149 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.532 -2.262 0.228 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.547 -1.744 -2.146 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.240 -1.757 0.420 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.256 -1.244 -1.937 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.601 -1.237 -0.712 1.00 0.00 C ATOM 0 H TRP A 96 -13.085 -5.260 -0.760 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.300 -4.454 -3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.446 -2.253 -2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.521 -2.977 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.415 -3.637 0.933 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.221 -2.975 2.143 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -11.027 -1.733 -3.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.762 -1.768 1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.732 -0.835 -2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.603 -0.832 -0.633 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.302 -5.435 -3.129 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.066 -5.650 -3.863 1.00 0.00 C ATOM 1494 C ILE A 97 -10.180 -6.940 -4.679 1.00 0.00 C ATOM 1495 O ILE A 97 -9.977 -6.931 -5.892 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.867 -5.629 -2.912 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.348 -4.203 -2.717 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.769 -6.579 -3.393 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.076 -4.194 -1.867 1.00 0.00 C ATOM 0 H ILE A 97 -11.431 -6.045 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.897 -4.838 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.197 -5.987 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.144 -3.750 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.115 -3.596 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.929 -6.545 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.161 -7.595 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.434 -6.275 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.728 -3.168 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.289 -4.625 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.303 -4.782 -2.362 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.505 -8.017 -3.980 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.649 -9.312 -4.624 1.00 0.00 C ATOM 1513 C LYS A 98 -11.939 -9.978 -4.139 1.00 0.00 C ATOM 1514 O LYS A 98 -12.766 -9.338 -3.491 1.00 0.00 O ATOM 1515 CB LYS A 98 -9.397 -10.163 -4.403 1.00 0.00 C ATOM 1516 CG LYS A 98 -8.483 -10.122 -5.629 1.00 0.00 C ATOM 1517 CD LYS A 98 -8.271 -11.525 -6.201 1.00 0.00 C ATOM 1518 CE LYS A 98 -6.894 -12.071 -5.818 1.00 0.00 C ATOM 1519 NZ LYS A 98 -6.695 -13.423 -6.387 1.00 0.00 N ATOM 0 H LYS A 98 -10.673 -8.020 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.738 -9.192 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.856 -9.800 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.685 -11.193 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.920 -9.477 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.521 -9.687 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.047 -12.194 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.366 -11.497 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.116 -11.399 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.801 -12.110 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.756 -13.778 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.426 -14.065 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.763 -13.377 -7.424 1.00 0.00 H new ATOM 1533 N SER A 99 -12.070 -11.253 -4.472 1.00 0.00 N ATOM 1534 CA SER A 99 -13.245 -12.012 -4.079 1.00 0.00 C ATOM 1535 C SER A 99 -12.848 -13.449 -3.734 1.00 0.00 C ATOM 1536 O SER A 99 -12.382 -14.193 -4.596 1.00 0.00 O ATOM 1537 CB SER A 99 -14.301 -12.005 -5.185 1.00 0.00 C ATOM 1538 OG SER A 99 -15.389 -12.877 -4.890 1.00 0.00 O ATOM 0 H SER A 99 -11.382 -11.780 -5.010 1.00 0.00 H new ATOM 0 HA SER A 99 -13.678 -11.539 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.676 -10.991 -5.322 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.841 -12.305 -6.127 1.00 0.00 H new ATOM 0 HG SER A 99 -16.043 -12.843 -5.619 1.00 0.00 H new ATOM 1544 N GLY A 100 -13.046 -13.797 -2.471 1.00 0.00 N ATOM 1545 CA GLY A 100 -12.714 -15.131 -2.001 1.00 0.00 C ATOM 1546 C GLY A 100 -11.384 -15.132 -1.246 1.00 0.00 C ATOM 1547 O GLY A 100 -10.477 -14.369 -1.578 1.00 0.00 O ATOM 0 H GLY A 100 -13.432 -13.178 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.506 -15.498 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.656 -15.815 -2.848 1.00 0.00 H new ATOM 1551 N PRO A 101 -11.306 -16.019 -0.218 1.00 0.00 N ATOM 1552 CA PRO A 101 -10.102 -16.128 0.587 1.00 0.00 C ATOM 1553 C PRO A 101 -8.998 -16.864 -0.176 1.00 0.00 C ATOM 1554 O PRO A 101 -9.134 -17.128 -1.369 1.00 0.00 O ATOM 1555 CB PRO A 101 -10.537 -16.855 1.849 1.00 0.00 C ATOM 1556 CG PRO A 101 -11.853 -17.534 1.507 1.00 0.00 C ATOM 1557 CD PRO A 101 -12.360 -16.937 0.204 1.00 0.00 C ATOM 0 HA PRO A 101 -9.670 -15.158 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.789 -17.586 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.661 -16.158 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.712 -18.610 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.580 -17.382 2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.535 -17.710 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.305 -16.414 0.349 1.00 0.00 H new ATOM 1565 N SER A 102 -7.930 -17.173 0.545 1.00 0.00 N ATOM 1566 CA SER A 102 -6.803 -17.873 -0.049 1.00 0.00 C ATOM 1567 C SER A 102 -6.645 -19.251 0.595 1.00 0.00 C ATOM 1568 O SER A 102 -6.318 -19.354 1.777 1.00 0.00 O ATOM 1569 CB SER A 102 -5.513 -17.065 0.101 1.00 0.00 C ATOM 1570 OG SER A 102 -4.354 -17.865 -0.118 1.00 0.00 O ATOM 0 H SER A 102 -7.821 -16.952 1.535 1.00 0.00 H new ATOM 0 HA SER A 102 -7.000 -17.998 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.520 -16.236 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.471 -16.631 1.100 1.00 0.00 H new ATOM 0 HG SER A 102 -3.551 -17.313 -0.015 1.00 0.00 H new ATOM 1576 N SER A 103 -6.883 -20.276 -0.210 1.00 0.00 N ATOM 1577 CA SER A 103 -6.771 -21.644 0.267 1.00 0.00 C ATOM 1578 C SER A 103 -5.506 -22.293 -0.298 1.00 0.00 C ATOM 1579 O SER A 103 -5.099 -21.995 -1.420 1.00 0.00 O ATOM 1580 CB SER A 103 -8.004 -22.464 -0.115 1.00 0.00 C ATOM 1581 OG SER A 103 -8.106 -22.650 -1.525 1.00 0.00 O ATOM 0 H SER A 103 -7.153 -20.187 -1.190 1.00 0.00 H new ATOM 0 HA SER A 103 -6.706 -21.622 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.960 -23.436 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.900 -21.963 0.250 1.00 0.00 H new ATOM 0 HG SER A 103 -8.905 -23.180 -1.728 1.00 0.00 H new ATOM 1587 N GLY A 104 -4.919 -23.169 0.505 1.00 0.00 N ATOM 1588 CA GLY A 104 -3.708 -23.862 0.099 1.00 0.00 C ATOM 1589 C GLY A 104 -3.219 -24.803 1.202 1.00 0.00 C ATOM 1590 O GLY A 104 -3.771 -24.817 2.301 1.00 0.00 O ATOM 0 H GLY A 104 -5.260 -23.414 1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.898 -24.431 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.930 -23.135 -0.135 1.00 0.00 H new TER 1594 GLY A 104