USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 575 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 34 SER OG : rot -11:sc= 1.46 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.897 K(o=2,f=-3.3!) USER MOD Set 1.3: A 44 HIS : no HE2:sc= -0.316 K(o=2,f=-0.6) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.0039) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 15 ASN : amide:sc= 0.545 K(o=0.54,f=-8.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 80:sc= 1.24 USER MOD Single : A 27 MET CE :methyl -139:sc= -1.06 (180deg=-7.22!) USER MOD Single : A 28 SER OG : rot 88:sc= 0.103 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0349) USER MOD Single : A 31 MET CE :methyl -134:sc=-0.000755 (180deg=-0.13) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00474 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 46 THR OG1 : rot -160:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.23) USER MOD Single : A 57 THR OG1 : rot 160:sc= 0.465 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00667 K(o=-0.0067,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.717) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.752 -15.996 -18.218 1.00 0.00 N ATOM 2 CA GLY A 1 -24.606 -17.452 -18.397 1.00 0.00 C ATOM 3 C GLY A 1 -25.439 -18.217 -17.384 1.00 0.00 C ATOM 4 O GLY A 1 -25.928 -17.623 -16.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.213 -15.588 -19.056 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.333 -15.806 -17.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.813 -15.565 -18.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.911 -17.729 -19.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.557 -17.730 -18.293 1.00 0.00 H new ATOM 8 N SER A 2 -25.622 -19.525 -17.590 1.00 0.00 N ATOM 9 CA SER A 2 -26.586 -20.358 -16.865 1.00 0.00 C ATOM 10 C SER A 2 -26.330 -20.464 -15.354 1.00 0.00 C ATOM 11 O SER A 2 -27.229 -20.837 -14.605 1.00 0.00 O ATOM 12 CB SER A 2 -26.595 -21.757 -17.498 1.00 0.00 C ATOM 13 OG SER A 2 -26.461 -21.657 -18.910 1.00 0.00 O ATOM 0 H SER A 2 -25.089 -20.048 -18.285 1.00 0.00 H new ATOM 0 HA SER A 2 -27.556 -19.870 -16.956 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.780 -22.354 -17.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.523 -22.271 -17.249 1.00 0.00 H new ATOM 0 HG SER A 2 -26.466 -22.555 -19.303 1.00 0.00 H new ATOM 19 N SER A 3 -25.121 -20.142 -14.891 1.00 0.00 N ATOM 20 CA SER A 3 -24.845 -19.870 -13.488 1.00 0.00 C ATOM 21 C SER A 3 -23.742 -18.811 -13.467 1.00 0.00 C ATOM 22 O SER A 3 -24.056 -17.625 -13.434 1.00 0.00 O ATOM 23 CB SER A 3 -24.516 -21.156 -12.706 1.00 0.00 C ATOM 24 OG SER A 3 -25.374 -22.221 -13.063 1.00 0.00 O ATOM 0 H SER A 3 -24.300 -20.063 -15.490 1.00 0.00 H new ATOM 0 HA SER A 3 -25.721 -19.483 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.482 -21.443 -12.897 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.601 -20.963 -11.637 1.00 0.00 H new ATOM 0 HG SER A 3 -25.135 -23.020 -12.549 1.00 0.00 H new ATOM 30 N GLY A 4 -22.474 -19.220 -13.625 1.00 0.00 N ATOM 31 CA GLY A 4 -21.323 -18.336 -13.786 1.00 0.00 C ATOM 32 C GLY A 4 -21.225 -17.335 -12.640 1.00 0.00 C ATOM 33 O GLY A 4 -21.641 -16.190 -12.802 1.00 0.00 O ATOM 0 H GLY A 4 -22.220 -20.208 -13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.410 -18.930 -13.831 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.403 -17.801 -14.732 1.00 0.00 H new ATOM 37 N SER A 5 -20.696 -17.758 -11.493 1.00 0.00 N ATOM 38 CA SER A 5 -20.649 -16.915 -10.301 1.00 0.00 C ATOM 39 C SER A 5 -19.886 -15.611 -10.573 1.00 0.00 C ATOM 40 O SER A 5 -18.872 -15.615 -11.282 1.00 0.00 O ATOM 41 CB SER A 5 -20.046 -17.704 -9.132 1.00 0.00 C ATOM 42 OG SER A 5 -18.778 -18.262 -9.447 1.00 0.00 O ATOM 0 H SER A 5 -20.292 -18.686 -11.365 1.00 0.00 H new ATOM 0 HA SER A 5 -21.664 -16.629 -10.027 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.945 -17.047 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.730 -18.503 -8.846 1.00 0.00 H new ATOM 0 HG SER A 5 -18.435 -18.753 -8.671 1.00 0.00 H new ATOM 48 N SER A 6 -20.344 -14.502 -10.001 1.00 0.00 N ATOM 49 CA SER A 6 -19.623 -13.232 -9.971 1.00 0.00 C ATOM 50 C SER A 6 -19.010 -13.055 -8.573 1.00 0.00 C ATOM 51 O SER A 6 -19.284 -13.859 -7.676 1.00 0.00 O ATOM 52 CB SER A 6 -20.569 -12.095 -10.378 1.00 0.00 C ATOM 53 OG SER A 6 -20.931 -12.228 -11.747 1.00 0.00 O ATOM 0 H SER A 6 -21.250 -14.459 -9.533 1.00 0.00 H new ATOM 0 HA SER A 6 -18.804 -13.217 -10.690 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.462 -12.114 -9.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.085 -11.132 -10.213 1.00 0.00 H new ATOM 0 HG SER A 6 -21.536 -11.499 -11.998 1.00 0.00 H new ATOM 59 N GLY A 7 -18.164 -12.041 -8.374 1.00 0.00 N ATOM 60 CA GLY A 7 -17.506 -11.799 -7.097 1.00 0.00 C ATOM 61 C GLY A 7 -16.062 -11.379 -7.297 1.00 0.00 C ATOM 62 O GLY A 7 -15.780 -10.183 -7.234 1.00 0.00 O ATOM 0 H GLY A 7 -17.919 -11.366 -9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.041 -11.023 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.544 -12.702 -6.488 1.00 0.00 H new ATOM 66 N ARG A 8 -15.156 -12.339 -7.544 1.00 0.00 N ATOM 67 CA ARG A 8 -13.695 -12.136 -7.558 1.00 0.00 C ATOM 68 C ARG A 8 -13.248 -11.219 -6.412 1.00 0.00 C ATOM 69 O ARG A 8 -12.499 -10.256 -6.604 1.00 0.00 O ATOM 70 CB ARG A 8 -13.209 -11.674 -8.948 1.00 0.00 C ATOM 71 CG ARG A 8 -13.153 -12.838 -9.946 1.00 0.00 C ATOM 72 CD ARG A 8 -12.696 -12.338 -11.322 1.00 0.00 C ATOM 73 NE ARG A 8 -12.357 -13.439 -12.236 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.188 -14.290 -12.843 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.485 -14.304 -12.569 1.00 0.00 N ATOM 76 NH2 ARG A 8 -12.722 -15.136 -13.750 1.00 0.00 N ATOM 0 H ARG A 8 -15.424 -13.302 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.210 -13.095 -7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.876 -10.901 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.220 -11.225 -8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.467 -13.604 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.135 -13.303 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.486 -11.732 -11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.828 -11.691 -11.200 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.364 -13.569 -12.430 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.868 -13.655 -11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.100 -14.963 -13.046 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.729 -15.137 -13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.356 -15.786 -14.214 1.00 0.00 H new ATOM 90 N GLY A 9 -13.733 -11.523 -5.212 1.00 0.00 N ATOM 91 CA GLY A 9 -13.414 -10.821 -3.985 1.00 0.00 C ATOM 92 C GLY A 9 -13.196 -11.860 -2.899 1.00 0.00 C ATOM 93 O GLY A 9 -12.498 -12.848 -3.143 1.00 0.00 O ATOM 0 H GLY A 9 -14.383 -12.295 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.520 -10.211 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.224 -10.145 -3.710 1.00 0.00 H new ATOM 97 N ARG A 10 -13.832 -11.684 -1.734 1.00 0.00 N ATOM 98 CA ARG A 10 -13.692 -12.547 -0.550 1.00 0.00 C ATOM 99 C ARG A 10 -12.276 -12.428 0.028 1.00 0.00 C ATOM 100 O ARG A 10 -11.461 -11.658 -0.483 1.00 0.00 O ATOM 101 CB ARG A 10 -14.076 -14.003 -0.917 1.00 0.00 C ATOM 102 CG ARG A 10 -14.661 -14.869 0.208 1.00 0.00 C ATOM 103 CD ARG A 10 -15.970 -14.280 0.743 1.00 0.00 C ATOM 104 NE ARG A 10 -16.909 -15.325 1.175 1.00 0.00 N ATOM 105 CZ ARG A 10 -17.899 -15.162 2.058 1.00 0.00 C ATOM 106 NH1 ARG A 10 -17.859 -14.165 2.934 1.00 0.00 N ATOM 107 NH2 ARG A 10 -18.948 -15.977 2.027 1.00 0.00 N ATOM 0 H ARG A 10 -14.481 -10.911 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.376 -12.222 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -14.800 -13.968 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.187 -14.502 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.839 -15.878 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.938 -14.951 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.754 -13.618 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.437 -13.671 -0.031 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.796 -16.253 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.070 -13.519 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.617 -14.045 3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.995 -16.722 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.707 -15.858 2.698 1.00 0.00 H new ATOM 121 N TYR A 11 -11.985 -13.160 1.108 1.00 0.00 N ATOM 122 CA TYR A 11 -10.688 -13.166 1.786 1.00 0.00 C ATOM 123 C TYR A 11 -10.254 -11.754 2.211 1.00 0.00 C ATOM 124 O TYR A 11 -11.102 -10.864 2.347 1.00 0.00 O ATOM 125 CB TYR A 11 -9.674 -13.982 0.951 1.00 0.00 C ATOM 126 CG TYR A 11 -9.582 -15.413 1.440 1.00 0.00 C ATOM 127 CD1 TYR A 11 -10.717 -16.246 1.418 1.00 0.00 C ATOM 128 CD2 TYR A 11 -8.374 -15.894 1.976 1.00 0.00 C ATOM 129 CE1 TYR A 11 -10.664 -17.534 1.976 1.00 0.00 C ATOM 130 CE2 TYR A 11 -8.316 -17.174 2.548 1.00 0.00 C ATOM 131 CZ TYR A 11 -9.462 -17.997 2.558 1.00 0.00 C ATOM 132 OH TYR A 11 -9.382 -19.240 3.101 1.00 0.00 O ATOM 0 H TYR A 11 -12.665 -13.781 1.546 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.756 -13.686 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.972 -13.972 -0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.692 -13.512 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.634 -15.893 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.488 -15.276 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.538 -18.168 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.393 -17.530 2.981 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.479 -19.386 3.453 1.00 0.00 H new ATOM 142 N ARG A 12 -8.976 -11.553 2.531 1.00 0.00 N ATOM 143 CA ARG A 12 -8.398 -10.248 2.822 1.00 0.00 C ATOM 144 C ARG A 12 -7.008 -10.249 2.213 1.00 0.00 C ATOM 145 O ARG A 12 -6.021 -10.592 2.869 1.00 0.00 O ATOM 146 CB ARG A 12 -8.431 -9.993 4.341 1.00 0.00 C ATOM 147 CG ARG A 12 -9.051 -8.637 4.707 1.00 0.00 C ATOM 148 CD ARG A 12 -9.680 -8.700 6.107 1.00 0.00 C ATOM 149 NE ARG A 12 -10.839 -9.606 6.143 1.00 0.00 N ATOM 150 CZ ARG A 12 -12.074 -9.344 5.709 1.00 0.00 C ATOM 151 NH1 ARG A 12 -12.398 -8.151 5.231 1.00 0.00 N ATOM 152 NH2 ARG A 12 -12.999 -10.290 5.743 1.00 0.00 N ATOM 0 H ARG A 12 -8.300 -12.314 2.596 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.960 -9.422 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.998 -10.788 4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.415 -10.040 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.287 -7.860 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.809 -8.365 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.933 -9.036 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.990 -7.700 6.412 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.682 -10.532 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.697 -7.411 5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.348 -7.973 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.768 -11.217 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.943 -10.092 5.412 1.00 0.00 H new ATOM 166 N GLN A 13 -6.926 -9.952 0.925 1.00 0.00 N ATOM 167 CA GLN A 13 -5.680 -9.908 0.197 1.00 0.00 C ATOM 168 C GLN A 13 -5.821 -8.834 -0.865 1.00 0.00 C ATOM 169 O GLN A 13 -6.446 -9.044 -1.906 1.00 0.00 O ATOM 170 CB GLN A 13 -5.359 -11.297 -0.374 1.00 0.00 C ATOM 171 CG GLN A 13 -3.900 -11.421 -0.834 1.00 0.00 C ATOM 172 CD GLN A 13 -2.982 -11.907 0.287 1.00 0.00 C ATOM 173 OE1 GLN A 13 -2.291 -12.913 0.144 1.00 0.00 O ATOM 174 NE2 GLN A 13 -2.956 -11.270 1.448 1.00 0.00 N ATOM 0 H GLN A 13 -7.741 -9.732 0.352 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.836 -9.652 0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.563 -12.054 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.021 -11.502 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.843 -12.113 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.551 -10.453 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.523 -10.433 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.368 -11.616 2.207 1.00 0.00 H new ATOM 183 N TYR A 14 -5.261 -7.667 -0.575 1.00 0.00 N ATOM 184 CA TYR A 14 -5.135 -6.617 -1.562 1.00 0.00 C ATOM 185 C TYR A 14 -4.111 -7.037 -2.629 1.00 0.00 C ATOM 186 O TYR A 14 -3.333 -7.979 -2.442 1.00 0.00 O ATOM 187 CB TYR A 14 -4.749 -5.315 -0.855 1.00 0.00 C ATOM 188 CG TYR A 14 -3.333 -5.311 -0.325 1.00 0.00 C ATOM 189 CD1 TYR A 14 -3.030 -5.854 0.938 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.306 -4.806 -1.137 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.692 -5.941 1.361 1.00 0.00 C ATOM 192 CE2 TYR A 14 -0.972 -4.885 -0.715 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.649 -5.484 0.521 1.00 0.00 C ATOM 194 OH TYR A 14 0.658 -5.610 0.881 1.00 0.00 O ATOM 0 H TYR A 14 -4.886 -7.428 0.343 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.082 -6.448 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.870 -4.484 -1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.438 -5.142 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.824 -6.203 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.544 -4.355 -2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.460 -6.358 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.187 -4.485 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 14 1.229 -5.240 0.176 1.00 0.00 H new ATOM 204 N ASN A 15 -4.107 -6.299 -3.734 1.00 0.00 N ATOM 205 CA ASN A 15 -3.290 -6.481 -4.927 1.00 0.00 C ATOM 206 C ASN A 15 -2.446 -5.235 -5.185 1.00 0.00 C ATOM 207 O ASN A 15 -2.668 -4.202 -4.554 1.00 0.00 O ATOM 208 CB ASN A 15 -4.108 -6.906 -6.149 1.00 0.00 C ATOM 209 CG ASN A 15 -5.042 -5.867 -6.724 1.00 0.00 C ATOM 210 OD1 ASN A 15 -4.632 -4.759 -7.024 1.00 0.00 O ATOM 211 ND2 ASN A 15 -6.304 -6.206 -6.914 1.00 0.00 N ATOM 0 H ASN A 15 -4.725 -5.493 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.610 -7.312 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.417 -7.215 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.696 -7.783 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.957 -5.535 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.626 -7.139 -6.656 1.00 0.00 H new ATOM 218 N SER A 16 -1.388 -5.372 -5.983 1.00 0.00 N ATOM 219 CA SER A 16 -0.467 -4.294 -6.322 1.00 0.00 C ATOM 220 C SER A 16 -1.142 -2.963 -6.648 1.00 0.00 C ATOM 221 O SER A 16 -0.692 -1.923 -6.164 1.00 0.00 O ATOM 222 CB SER A 16 0.462 -4.753 -7.446 1.00 0.00 C ATOM 223 OG SER A 16 -0.248 -5.269 -8.559 1.00 0.00 O ATOM 0 H SER A 16 -1.143 -6.260 -6.422 1.00 0.00 H new ATOM 0 HA SER A 16 0.116 -4.083 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.078 -3.914 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.139 -5.517 -7.064 1.00 0.00 H new ATOM 0 HG SER A 16 0.387 -5.548 -9.252 1.00 0.00 H new ATOM 229 N GLU A 17 -2.202 -2.986 -7.448 1.00 0.00 N ATOM 230 CA GLU A 17 -2.884 -1.784 -7.890 1.00 0.00 C ATOM 231 C GLU A 17 -3.737 -1.237 -6.754 1.00 0.00 C ATOM 232 O GLU A 17 -3.675 -0.042 -6.483 1.00 0.00 O ATOM 233 CB GLU A 17 -3.729 -2.093 -9.127 1.00 0.00 C ATOM 234 CG GLU A 17 -2.837 -2.558 -10.289 1.00 0.00 C ATOM 235 CD GLU A 17 -3.637 -2.956 -11.529 1.00 0.00 C ATOM 236 OE1 GLU A 17 -4.890 -2.918 -11.513 1.00 0.00 O ATOM 237 OE2 GLU A 17 -2.999 -3.412 -12.500 1.00 0.00 O ATOM 0 H GLU A 17 -2.612 -3.848 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.154 -1.022 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.460 -2.866 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.288 -1.205 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.144 -1.759 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.236 -3.407 -9.962 1.00 0.00 H new ATOM 244 N ILE A 18 -4.467 -2.106 -6.044 1.00 0.00 N ATOM 245 CA ILE A 18 -5.263 -1.751 -4.869 1.00 0.00 C ATOM 246 C ILE A 18 -4.392 -0.996 -3.859 1.00 0.00 C ATOM 247 O ILE A 18 -4.861 -0.076 -3.190 1.00 0.00 O ATOM 248 CB ILE A 18 -5.860 -3.037 -4.246 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.031 -3.602 -5.070 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.340 -2.793 -2.802 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.392 -2.951 -4.807 1.00 0.00 C ATOM 0 H ILE A 18 -4.520 -3.097 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.084 -1.096 -5.160 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.052 -3.769 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.794 -3.494 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.113 -4.670 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.753 -3.716 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.499 -2.471 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.108 -2.020 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.148 -3.421 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.661 -3.081 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.337 -1.887 -5.038 1.00 0.00 H new ATOM 263 N LEU A 19 -3.143 -1.426 -3.700 1.00 0.00 N ATOM 264 CA LEU A 19 -2.218 -0.775 -2.796 1.00 0.00 C ATOM 265 C LEU A 19 -1.936 0.656 -3.242 1.00 0.00 C ATOM 266 O LEU A 19 -1.983 1.560 -2.411 1.00 0.00 O ATOM 267 CB LEU A 19 -0.972 -1.647 -2.619 1.00 0.00 C ATOM 268 CG LEU A 19 0.120 -0.978 -1.779 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.364 -0.686 -0.352 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.317 -1.920 -1.725 1.00 0.00 C ATOM 0 H LEU A 19 -2.752 -2.229 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.663 -0.675 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.259 -2.587 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.567 -1.893 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 19 0.388 -0.026 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.438 -0.211 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.226 -0.020 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.648 -1.619 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.111 -1.466 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.017 -2.864 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.681 -2.105 -2.736 1.00 0.00 H new ATOM 282 N GLU A 20 -1.689 0.883 -4.532 1.00 0.00 N ATOM 283 CA GLU A 20 -1.440 2.224 -5.038 1.00 0.00 C ATOM 284 C GLU A 20 -2.651 3.128 -4.802 1.00 0.00 C ATOM 285 O GLU A 20 -2.471 4.273 -4.388 1.00 0.00 O ATOM 286 CB GLU A 20 -1.085 2.207 -6.531 1.00 0.00 C ATOM 287 CG GLU A 20 0.248 1.510 -6.844 1.00 0.00 C ATOM 288 CD GLU A 20 1.436 2.199 -6.173 1.00 0.00 C ATOM 289 OE1 GLU A 20 1.581 3.429 -6.356 1.00 0.00 O ATOM 290 OE2 GLU A 20 2.183 1.527 -5.424 1.00 0.00 O ATOM 0 H GLU A 20 -1.657 0.152 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.587 2.623 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.883 1.706 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.042 3.233 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.199 0.472 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.402 1.494 -7.923 1.00 0.00 H new ATOM 297 N GLU A 21 -3.872 2.634 -5.042 1.00 0.00 N ATOM 298 CA GLU A 21 -5.132 3.279 -4.714 1.00 0.00 C ATOM 299 C GLU A 21 -5.141 3.763 -3.274 1.00 0.00 C ATOM 300 O GLU A 21 -5.202 4.965 -3.027 1.00 0.00 O ATOM 301 CB GLU A 21 -6.305 2.345 -4.945 1.00 0.00 C ATOM 302 CG GLU A 21 -6.549 1.706 -6.309 1.00 0.00 C ATOM 303 CD GLU A 21 -7.078 2.693 -7.346 1.00 0.00 C ATOM 304 OE1 GLU A 21 -6.463 3.772 -7.516 1.00 0.00 O ATOM 305 OE2 GLU A 21 -8.130 2.415 -7.964 1.00 0.00 O ATOM 0 H GLU A 21 -4.005 1.729 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.234 4.139 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.211 1.532 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.208 2.898 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.618 1.271 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.261 0.888 -6.198 1.00 0.00 H new ATOM 312 N ALA A 22 -5.066 2.822 -2.336 1.00 0.00 N ATOM 313 CA ALA A 22 -5.245 3.068 -0.912 1.00 0.00 C ATOM 314 C ALA A 22 -4.145 3.952 -0.342 1.00 0.00 C ATOM 315 O ALA A 22 -4.315 4.513 0.739 1.00 0.00 O ATOM 316 CB ALA A 22 -5.239 1.725 -0.191 1.00 0.00 C ATOM 0 H ALA A 22 -4.874 1.844 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.191 3.590 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.372 1.886 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.053 1.106 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.288 1.222 -0.367 1.00 0.00 H new ATOM 322 N ILE A 23 -3.030 4.085 -1.052 1.00 0.00 N ATOM 323 CA ILE A 23 -1.995 5.042 -0.701 1.00 0.00 C ATOM 324 C ILE A 23 -2.433 6.407 -1.217 1.00 0.00 C ATOM 325 O ILE A 23 -2.469 7.374 -0.458 1.00 0.00 O ATOM 326 CB ILE A 23 -0.663 4.567 -1.295 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.141 3.386 -0.458 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.390 5.688 -1.326 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.883 2.580 -1.252 1.00 0.00 C ATOM 0 H ILE A 23 -2.821 3.533 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.849 5.123 0.376 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.839 4.260 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.313 3.756 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.972 2.743 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.316 5.305 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.023 6.515 -1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.577 6.039 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.242 1.749 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.418 2.193 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.722 3.222 -1.520 1.00 0.00 H new ATOM 341 N SER A 24 -2.778 6.480 -2.501 1.00 0.00 N ATOM 342 CA SER A 24 -3.143 7.695 -3.204 1.00 0.00 C ATOM 343 C SER A 24 -4.259 8.453 -2.473 1.00 0.00 C ATOM 344 O SER A 24 -4.099 9.648 -2.238 1.00 0.00 O ATOM 345 CB SER A 24 -3.497 7.330 -4.651 1.00 0.00 C ATOM 346 OG SER A 24 -2.373 6.750 -5.295 1.00 0.00 O ATOM 0 H SER A 24 -2.810 5.655 -3.100 1.00 0.00 H new ATOM 0 HA SER A 24 -2.302 8.388 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.334 6.632 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.816 8.221 -5.192 1.00 0.00 H new ATOM 0 HG SER A 24 -2.296 5.809 -5.034 1.00 0.00 H new ATOM 352 N VAL A 25 -5.325 7.778 -2.026 1.00 0.00 N ATOM 353 CA VAL A 25 -6.381 8.392 -1.216 1.00 0.00 C ATOM 354 C VAL A 25 -5.807 9.112 0.011 1.00 0.00 C ATOM 355 O VAL A 25 -6.040 10.301 0.206 1.00 0.00 O ATOM 356 CB VAL A 25 -7.478 7.366 -0.828 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.662 7.473 -1.784 1.00 0.00 C ATOM 358 CG2 VAL A 25 -7.024 5.931 -0.708 1.00 0.00 C ATOM 0 H VAL A 25 -5.479 6.788 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.862 9.151 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.772 7.644 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.425 6.748 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.080 8.478 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.328 7.270 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.871 5.303 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.619 5.596 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.253 5.856 0.059 1.00 0.00 H new ATOM 368 N VAL A 26 -5.078 8.394 0.853 1.00 0.00 N ATOM 369 CA VAL A 26 -4.463 8.854 2.093 1.00 0.00 C ATOM 370 C VAL A 26 -3.536 10.040 1.816 1.00 0.00 C ATOM 371 O VAL A 26 -3.648 11.056 2.506 1.00 0.00 O ATOM 372 CB VAL A 26 -3.745 7.668 2.774 1.00 0.00 C ATOM 373 CG1 VAL A 26 -3.042 8.046 4.081 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.741 6.559 3.124 1.00 0.00 C ATOM 0 H VAL A 26 -4.887 7.408 0.677 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.224 9.215 2.785 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.002 7.339 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.560 7.164 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.291 8.810 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.774 8.433 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.213 5.734 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.497 6.950 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.223 6.202 2.214 1.00 0.00 H new ATOM 384 N MET A 27 -2.689 9.947 0.786 1.00 0.00 N ATOM 385 CA MET A 27 -1.777 11.007 0.376 1.00 0.00 C ATOM 386 C MET A 27 -2.538 12.272 -0.002 1.00 0.00 C ATOM 387 O MET A 27 -2.220 13.360 0.478 1.00 0.00 O ATOM 388 CB MET A 27 -0.928 10.552 -0.816 1.00 0.00 C ATOM 389 CG MET A 27 0.156 9.569 -0.393 1.00 0.00 C ATOM 390 SD MET A 27 1.416 9.306 -1.664 1.00 0.00 S ATOM 391 CE MET A 27 2.589 8.388 -0.645 1.00 0.00 C ATOM 0 H MET A 27 -2.621 9.112 0.204 1.00 0.00 H new ATOM 0 HA MET A 27 -1.127 11.228 1.223 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.570 10.086 -1.563 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.468 11.420 -1.288 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.636 9.936 0.514 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.306 8.613 -0.145 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.603 8.719 -0.870 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.374 8.567 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.500 7.323 -0.857 1.00 0.00 H new ATOM 401 N SER A 28 -3.566 12.136 -0.836 1.00 0.00 N ATOM 402 CA SER A 28 -4.494 13.198 -1.191 1.00 0.00 C ATOM 403 C SER A 28 -5.351 13.666 -0.004 1.00 0.00 C ATOM 404 O SER A 28 -6.154 14.586 -0.154 1.00 0.00 O ATOM 405 CB SER A 28 -5.373 12.670 -2.322 1.00 0.00 C ATOM 406 OG SER A 28 -4.603 12.421 -3.483 1.00 0.00 O ATOM 0 H SER A 28 -3.780 11.252 -1.297 1.00 0.00 H new ATOM 0 HA SER A 28 -3.930 14.077 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.869 11.752 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.156 13.394 -2.548 1.00 0.00 H new ATOM 0 HG SER A 28 -4.243 11.510 -3.447 1.00 0.00 H new ATOM 412 N GLY A 29 -5.210 13.056 1.176 1.00 0.00 N ATOM 413 CA GLY A 29 -5.919 13.440 2.378 1.00 0.00 C ATOM 414 C GLY A 29 -7.374 12.987 2.370 1.00 0.00 C ATOM 415 O GLY A 29 -8.144 13.494 3.191 1.00 0.00 O ATOM 0 H GLY A 29 -4.583 12.264 1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.414 13.014 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.880 14.524 2.488 1.00 0.00 H new ATOM 419 N LYS A 30 -7.777 12.042 1.503 1.00 0.00 N ATOM 420 CA LYS A 30 -9.174 11.593 1.450 1.00 0.00 C ATOM 421 C LYS A 30 -9.556 10.942 2.772 1.00 0.00 C ATOM 422 O LYS A 30 -10.695 11.054 3.228 1.00 0.00 O ATOM 423 CB LYS A 30 -9.402 10.601 0.293 1.00 0.00 C ATOM 424 CG LYS A 30 -9.658 11.278 -1.063 1.00 0.00 C ATOM 425 CD LYS A 30 -8.444 11.900 -1.727 1.00 0.00 C ATOM 426 CE LYS A 30 -8.713 12.335 -3.176 1.00 0.00 C ATOM 427 NZ LYS A 30 -9.908 13.191 -3.319 1.00 0.00 N ATOM 0 H LYS A 30 -7.159 11.579 0.836 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.804 12.465 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.530 9.952 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.251 9.963 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.083 10.539 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.411 12.054 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.122 12.765 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.622 11.184 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.843 12.872 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.834 11.448 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.976 13.532 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.759 12.641 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.832 14.004 -2.674 1.00 0.00 H new ATOM 441 N MET A 31 -8.605 10.262 3.403 1.00 0.00 N ATOM 442 CA MET A 31 -8.781 9.640 4.697 1.00 0.00 C ATOM 443 C MET A 31 -7.433 9.475 5.387 1.00 0.00 C ATOM 444 O MET A 31 -6.401 9.816 4.809 1.00 0.00 O ATOM 445 CB MET A 31 -9.471 8.291 4.516 1.00 0.00 C ATOM 446 CG MET A 31 -8.735 7.305 3.628 1.00 0.00 C ATOM 447 SD MET A 31 -9.834 6.004 3.027 1.00 0.00 S ATOM 448 CE MET A 31 -10.679 6.886 1.719 1.00 0.00 C ATOM 0 H MET A 31 -7.671 10.129 3.015 1.00 0.00 H new ATOM 0 HA MET A 31 -9.405 10.273 5.328 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.611 7.838 5.497 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.463 8.461 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.298 7.833 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.911 6.858 4.184 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.750 6.696 1.785 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.493 7.955 1.822 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.309 6.545 0.752 1.00 0.00 H new ATOM 458 N SER A 32 -7.450 8.934 6.604 1.00 0.00 N ATOM 459 CA SER A 32 -6.244 8.608 7.351 1.00 0.00 C ATOM 460 C SER A 32 -5.765 7.205 6.964 1.00 0.00 C ATOM 461 O SER A 32 -6.513 6.446 6.340 1.00 0.00 O ATOM 462 CB SER A 32 -6.495 8.714 8.867 1.00 0.00 C ATOM 463 OG SER A 32 -7.656 9.463 9.211 1.00 0.00 O ATOM 0 H SER A 32 -8.312 8.709 7.101 1.00 0.00 H new ATOM 0 HA SER A 32 -5.463 9.325 7.100 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.587 7.710 9.281 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.626 9.174 9.337 1.00 0.00 H new ATOM 0 HG SER A 32 -7.753 9.487 10.186 1.00 0.00 H new ATOM 469 N VAL A 33 -4.553 6.834 7.397 1.00 0.00 N ATOM 470 CA VAL A 33 -3.980 5.504 7.192 1.00 0.00 C ATOM 471 C VAL A 33 -4.969 4.437 7.669 1.00 0.00 C ATOM 472 O VAL A 33 -5.370 3.601 6.864 1.00 0.00 O ATOM 473 CB VAL A 33 -2.589 5.406 7.869 1.00 0.00 C ATOM 474 CG1 VAL A 33 -1.974 3.996 7.846 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.588 6.351 7.186 1.00 0.00 C ATOM 0 H VAL A 33 -3.935 7.464 7.908 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.812 5.326 6.130 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.767 5.682 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.002 4.015 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.633 3.303 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.850 3.670 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.617 6.268 7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.489 6.079 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.946 7.378 7.263 1.00 0.00 H new ATOM 485 N SER A 34 -5.399 4.458 8.938 1.00 0.00 N ATOM 486 CA SER A 34 -6.221 3.364 9.461 1.00 0.00 C ATOM 487 C SER A 34 -7.566 3.248 8.723 1.00 0.00 C ATOM 488 O SER A 34 -8.104 2.153 8.570 1.00 0.00 O ATOM 489 CB SER A 34 -6.438 3.504 10.973 1.00 0.00 C ATOM 490 OG SER A 34 -6.378 2.237 11.605 1.00 0.00 O ATOM 0 H SER A 34 -5.197 5.202 9.606 1.00 0.00 H new ATOM 0 HA SER A 34 -5.671 2.441 9.281 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.680 4.163 11.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.406 3.967 11.166 1.00 0.00 H new ATOM 0 HG SER A 34 -6.387 1.531 10.925 1.00 0.00 H new ATOM 496 N LYS A 35 -8.103 4.369 8.239 1.00 0.00 N ATOM 497 CA LYS A 35 -9.353 4.392 7.503 1.00 0.00 C ATOM 498 C LYS A 35 -9.171 3.636 6.195 1.00 0.00 C ATOM 499 O LYS A 35 -9.751 2.563 6.057 1.00 0.00 O ATOM 500 CB LYS A 35 -9.820 5.840 7.378 1.00 0.00 C ATOM 501 CG LYS A 35 -11.122 5.996 6.581 1.00 0.00 C ATOM 502 CD LYS A 35 -11.977 7.125 7.151 1.00 0.00 C ATOM 503 CE LYS A 35 -12.936 7.721 6.118 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.721 8.820 6.713 1.00 0.00 N ATOM 0 H LYS A 35 -7.675 5.288 8.351 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.159 3.872 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.962 6.255 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.037 6.426 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.891 6.201 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.683 5.062 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.551 6.748 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.325 7.912 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.373 8.091 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.607 6.946 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.366 9.212 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.273 8.457 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.077 9.566 7.045 1.00 0.00 H new ATOM 518 N ALA A 36 -8.365 4.132 5.252 1.00 0.00 N ATOM 519 CA ALA A 36 -8.089 3.430 4.005 1.00 0.00 C ATOM 520 C ALA A 36 -7.588 2.005 4.202 1.00 0.00 C ATOM 521 O ALA A 36 -7.993 1.144 3.427 1.00 0.00 O ATOM 522 CB ALA A 36 -7.036 4.203 3.209 1.00 0.00 C ATOM 0 H ALA A 36 -7.888 5.030 5.335 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.038 3.371 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.828 3.679 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.408 5.203 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.120 4.278 3.795 1.00 0.00 H new ATOM 528 N GLN A 37 -6.782 1.715 5.227 1.00 0.00 N ATOM 529 CA GLN A 37 -6.440 0.356 5.609 1.00 0.00 C ATOM 530 C GLN A 37 -7.709 -0.477 5.636 1.00 0.00 C ATOM 531 O GLN A 37 -7.767 -1.527 5.005 1.00 0.00 O ATOM 532 CB GLN A 37 -5.696 0.375 6.958 1.00 0.00 C ATOM 533 CG GLN A 37 -5.929 -0.853 7.862 1.00 0.00 C ATOM 534 CD GLN A 37 -6.692 -0.639 9.167 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.344 0.193 10.000 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.695 -1.466 9.420 1.00 0.00 N ATOM 0 H GLN A 37 -6.349 2.427 5.815 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.765 -0.102 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.627 0.463 6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.995 1.269 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.465 -1.602 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.956 -1.278 8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.977 -2.154 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.185 -1.415 10.313 1.00 0.00 H new ATOM 545 N SER A 38 -8.713 -0.024 6.374 1.00 0.00 N ATOM 546 CA SER A 38 -9.917 -0.785 6.558 1.00 0.00 C ATOM 547 C SER A 38 -10.703 -0.830 5.239 1.00 0.00 C ATOM 548 O SER A 38 -11.144 -1.902 4.833 1.00 0.00 O ATOM 549 CB SER A 38 -10.684 -0.148 7.716 1.00 0.00 C ATOM 550 OG SER A 38 -11.465 -1.117 8.386 1.00 0.00 O ATOM 0 H SER A 38 -8.706 0.876 6.854 1.00 0.00 H new ATOM 0 HA SER A 38 -9.718 -1.825 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.984 0.310 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.326 0.648 7.340 1.00 0.00 H new ATOM 0 HG SER A 38 -11.948 -0.693 9.126 1.00 0.00 H new ATOM 556 N ILE A 39 -10.852 0.308 4.548 1.00 0.00 N ATOM 557 CA ILE A 39 -11.635 0.410 3.314 1.00 0.00 C ATOM 558 C ILE A 39 -11.083 -0.549 2.259 1.00 0.00 C ATOM 559 O ILE A 39 -11.817 -1.383 1.727 1.00 0.00 O ATOM 560 CB ILE A 39 -11.736 1.869 2.811 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.392 2.718 3.923 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.520 1.943 1.484 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.878 4.097 3.504 1.00 0.00 C ATOM 0 H ILE A 39 -10.428 1.190 4.834 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.660 0.106 3.527 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.743 2.265 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.239 2.162 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.674 2.838 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.577 2.980 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.011 1.347 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.527 1.555 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.320 4.603 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.037 4.682 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.626 3.996 2.718 1.00 0.00 H new ATOM 575 N TYR A 40 -9.796 -0.440 1.953 1.00 0.00 N ATOM 576 CA TYR A 40 -9.112 -1.200 0.917 1.00 0.00 C ATOM 577 C TYR A 40 -8.636 -2.563 1.438 1.00 0.00 C ATOM 578 O TYR A 40 -8.153 -3.391 0.665 1.00 0.00 O ATOM 579 CB TYR A 40 -7.948 -0.347 0.402 1.00 0.00 C ATOM 580 CG TYR A 40 -8.378 0.911 -0.344 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.791 2.068 0.350 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.250 0.965 -1.741 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.148 3.243 -0.338 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.579 2.140 -2.430 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.084 3.264 -1.746 1.00 0.00 C ATOM 586 OH TYR A 40 -9.510 4.355 -2.436 1.00 0.00 O ATOM 0 H TYR A 40 -9.176 0.207 2.440 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.798 -1.418 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.322 -0.059 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.331 -0.955 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.834 2.052 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.898 0.101 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.467 4.119 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.444 2.185 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.394 4.200 -3.397 1.00 0.00 H new ATOM 596 N GLY A 41 -8.791 -2.826 2.737 1.00 0.00 N ATOM 597 CA GLY A 41 -8.427 -4.069 3.390 1.00 0.00 C ATOM 598 C GLY A 41 -6.931 -4.346 3.332 1.00 0.00 C ATOM 599 O GLY A 41 -6.544 -5.505 3.164 1.00 0.00 O ATOM 0 H GLY A 41 -9.191 -2.145 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.746 -4.035 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.964 -4.893 2.919 1.00 0.00 H new ATOM 603 N ILE A 42 -6.097 -3.314 3.445 1.00 0.00 N ATOM 604 CA ILE A 42 -4.635 -3.400 3.532 1.00 0.00 C ATOM 605 C ILE A 42 -4.285 -3.417 5.022 1.00 0.00 C ATOM 606 O ILE A 42 -5.007 -2.807 5.804 1.00 0.00 O ATOM 607 CB ILE A 42 -4.005 -2.185 2.811 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.645 -2.045 1.411 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.464 -2.262 2.796 1.00 0.00 C ATOM 610 CD1 ILE A 42 -3.707 -1.673 0.280 1.00 0.00 C ATOM 0 H ILE A 42 -6.433 -2.352 3.480 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.247 -4.297 3.050 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.223 -1.271 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.128 -2.989 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.430 -1.291 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.061 -1.390 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.091 -2.283 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.150 -3.168 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.269 -1.604 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.242 -0.711 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.935 -2.436 0.182 1.00 0.00 H new ATOM 622 N PRO A 43 -3.230 -4.109 5.474 1.00 0.00 N ATOM 623 CA PRO A 43 -2.801 -4.013 6.866 1.00 0.00 C ATOM 624 C PRO A 43 -2.370 -2.578 7.169 1.00 0.00 C ATOM 625 O PRO A 43 -1.740 -1.950 6.317 1.00 0.00 O ATOM 626 CB PRO A 43 -1.616 -4.977 6.999 1.00 0.00 C ATOM 627 CG PRO A 43 -1.699 -5.861 5.754 1.00 0.00 C ATOM 628 CD PRO A 43 -2.318 -4.939 4.712 1.00 0.00 C ATOM 0 HA PRO A 43 -3.597 -4.269 7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.669 -4.439 7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.687 -5.569 7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.715 -6.214 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.315 -6.743 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.559 -4.340 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.842 -5.504 3.941 1.00 0.00 H new ATOM 636 N HIS A 44 -2.642 -2.073 8.376 1.00 0.00 N ATOM 637 CA HIS A 44 -2.235 -0.722 8.760 1.00 0.00 C ATOM 638 C HIS A 44 -0.720 -0.627 8.646 1.00 0.00 C ATOM 639 O HIS A 44 -0.207 0.289 8.015 1.00 0.00 O ATOM 640 CB HIS A 44 -2.711 -0.380 10.183 1.00 0.00 C ATOM 641 CG HIS A 44 -2.475 1.056 10.601 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.434 1.927 11.072 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.270 1.709 10.662 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.822 3.083 11.378 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.505 2.997 11.147 1.00 0.00 N ATOM 0 H HIS A 44 -3.143 -2.582 9.104 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.698 0.005 8.093 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.777 -0.595 10.256 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.204 -1.038 10.889 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.430 1.729 11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.310 1.299 10.384 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.323 3.961 11.758 1.00 0.00 H new ATOM 653 N SER A 45 -0.017 -1.595 9.236 1.00 0.00 N ATOM 654 CA SER A 45 1.432 -1.680 9.282 1.00 0.00 C ATOM 655 C SER A 45 2.034 -1.530 7.881 1.00 0.00 C ATOM 656 O SER A 45 2.948 -0.723 7.682 1.00 0.00 O ATOM 657 CB SER A 45 1.801 -3.028 9.913 1.00 0.00 C ATOM 658 OG SER A 45 0.912 -3.383 10.962 1.00 0.00 O ATOM 0 H SER A 45 -0.469 -2.374 9.715 1.00 0.00 H new ATOM 0 HA SER A 45 1.841 -0.868 9.883 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.787 -3.803 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.819 -2.981 10.300 1.00 0.00 H new ATOM 0 HG SER A 45 1.178 -4.248 11.338 1.00 0.00 H new ATOM 664 N THR A 46 1.487 -2.281 6.919 1.00 0.00 N ATOM 665 CA THR A 46 1.856 -2.206 5.524 1.00 0.00 C ATOM 666 C THR A 46 1.527 -0.830 4.964 1.00 0.00 C ATOM 667 O THR A 46 2.435 -0.128 4.540 1.00 0.00 O ATOM 668 CB THR A 46 1.100 -3.311 4.776 1.00 0.00 C ATOM 669 OG1 THR A 46 1.378 -4.570 5.350 1.00 0.00 O ATOM 670 CG2 THR A 46 1.349 -3.355 3.272 1.00 0.00 C ATOM 0 H THR A 46 0.759 -2.971 7.106 1.00 0.00 H new ATOM 0 HA THR A 46 2.929 -2.353 5.402 1.00 0.00 H new ATOM 0 HB THR A 46 0.045 -3.063 4.889 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.166 -5.277 4.705 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.772 -4.168 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.043 -2.409 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.410 -3.519 3.084 1.00 0.00 H new ATOM 678 N LEU A 47 0.248 -0.444 4.923 1.00 0.00 N ATOM 679 CA LEU A 47 -0.212 0.769 4.268 1.00 0.00 C ATOM 680 C LEU A 47 0.620 1.954 4.727 1.00 0.00 C ATOM 681 O LEU A 47 1.103 2.707 3.894 1.00 0.00 O ATOM 682 CB LEU A 47 -1.696 1.016 4.571 1.00 0.00 C ATOM 683 CG LEU A 47 -2.226 2.249 3.814 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.458 1.926 2.343 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.587 2.628 4.370 1.00 0.00 C ATOM 0 H LEU A 47 -0.505 -0.981 5.354 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.096 0.648 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.277 0.137 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.831 1.159 5.643 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.490 3.045 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.832 2.812 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.519 1.612 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.189 1.122 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.967 3.500 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.278 1.795 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.495 2.862 5.431 1.00 0.00 H new ATOM 697 N GLU A 48 0.813 2.091 6.036 1.00 0.00 N ATOM 698 CA GLU A 48 1.586 3.138 6.650 1.00 0.00 C ATOM 699 C GLU A 48 2.974 3.208 6.002 1.00 0.00 C ATOM 700 O GLU A 48 3.320 4.215 5.387 1.00 0.00 O ATOM 701 CB GLU A 48 1.645 2.844 8.154 1.00 0.00 C ATOM 702 CG GLU A 48 2.101 4.119 8.848 1.00 0.00 C ATOM 703 CD GLU A 48 2.312 3.980 10.347 1.00 0.00 C ATOM 704 OE1 GLU A 48 3.092 3.100 10.770 1.00 0.00 O ATOM 705 OE2 GLU A 48 1.795 4.823 11.117 1.00 0.00 O ATOM 0 H GLU A 48 0.414 1.443 6.715 1.00 0.00 H new ATOM 0 HA GLU A 48 1.130 4.117 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.667 2.534 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.337 2.027 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.033 4.452 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.362 4.900 8.669 1.00 0.00 H new ATOM 712 N TYR A 49 3.743 2.119 6.084 1.00 0.00 N ATOM 713 CA TYR A 49 5.048 1.982 5.447 1.00 0.00 C ATOM 714 C TYR A 49 4.963 2.351 3.967 1.00 0.00 C ATOM 715 O TYR A 49 5.763 3.139 3.483 1.00 0.00 O ATOM 716 CB TYR A 49 5.531 0.532 5.643 1.00 0.00 C ATOM 717 CG TYR A 49 6.669 0.057 4.760 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.382 -0.392 3.458 1.00 0.00 C ATOM 719 CD2 TYR A 49 7.988 -0.016 5.244 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.387 -0.928 2.637 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.001 -0.554 4.430 1.00 0.00 C ATOM 722 CZ TYR A 49 8.704 -1.023 3.130 1.00 0.00 C ATOM 723 OH TYR A 49 9.692 -1.556 2.361 1.00 0.00 O ATOM 0 H TYR A 49 3.465 1.290 6.609 1.00 0.00 H new ATOM 0 HA TYR A 49 5.765 2.664 5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.838 0.415 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.681 -0.132 5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.371 -0.323 3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.222 0.340 6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.153 -1.264 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.014 -0.609 4.801 1.00 0.00 H new ATOM 0 HH TYR A 49 10.537 -1.542 2.858 1.00 0.00 H new ATOM 733 N LYS A 50 4.011 1.783 3.230 1.00 0.00 N ATOM 734 CA LYS A 50 3.949 1.864 1.783 1.00 0.00 C ATOM 735 C LYS A 50 3.655 3.304 1.329 1.00 0.00 C ATOM 736 O LYS A 50 4.254 3.745 0.347 1.00 0.00 O ATOM 737 CB LYS A 50 2.888 0.867 1.309 1.00 0.00 C ATOM 738 CG LYS A 50 3.191 -0.628 1.458 1.00 0.00 C ATOM 739 CD LYS A 50 4.281 -1.182 0.538 1.00 0.00 C ATOM 740 CE LYS A 50 4.055 -2.693 0.415 1.00 0.00 C ATOM 741 NZ LYS A 50 4.939 -3.337 -0.572 1.00 0.00 N ATOM 0 H LYS A 50 3.247 1.243 3.637 1.00 0.00 H new ATOM 0 HA LYS A 50 4.908 1.603 1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.966 1.077 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.690 1.065 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.482 -0.819 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.272 -1.185 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.234 -0.706 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.270 -0.974 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.211 -3.157 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.017 -2.876 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.736 -4.356 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.775 -2.919 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.931 -3.191 -0.297 1.00 0.00 H new ATOM 755 N VAL A 51 2.819 4.057 2.057 1.00 0.00 N ATOM 756 CA VAL A 51 2.651 5.508 1.933 1.00 0.00 C ATOM 757 C VAL A 51 4.022 6.166 2.127 1.00 0.00 C ATOM 758 O VAL A 51 4.506 6.885 1.255 1.00 0.00 O ATOM 759 CB VAL A 51 1.613 5.998 2.982 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.454 7.517 3.059 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.186 5.473 2.777 1.00 0.00 C ATOM 0 H VAL A 51 2.218 3.654 2.776 1.00 0.00 H new ATOM 0 HA VAL A 51 2.272 5.781 0.948 1.00 0.00 H new ATOM 0 HB VAL A 51 2.054 5.594 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.711 7.767 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.409 7.970 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.129 7.898 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.463 5.870 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.182 5.791 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.188 4.384 2.826 1.00 0.00 H new ATOM 771 N LYS A 52 4.658 5.911 3.267 1.00 0.00 N ATOM 772 CA LYS A 52 5.878 6.573 3.743 1.00 0.00 C ATOM 773 C LYS A 52 7.109 6.217 2.935 1.00 0.00 C ATOM 774 O LYS A 52 8.144 6.868 3.053 1.00 0.00 O ATOM 775 CB LYS A 52 6.038 6.200 5.216 1.00 0.00 C ATOM 776 CG LYS A 52 4.950 6.941 6.003 1.00 0.00 C ATOM 777 CD LYS A 52 4.594 6.257 7.318 1.00 0.00 C ATOM 778 CE LYS A 52 5.439 6.657 8.528 1.00 0.00 C ATOM 779 NZ LYS A 52 6.874 6.348 8.354 1.00 0.00 N ATOM 0 H LYS A 52 4.323 5.202 3.920 1.00 0.00 H new ATOM 0 HA LYS A 52 5.778 7.651 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.941 5.123 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.028 6.479 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.286 7.957 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.054 7.020 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.549 6.468 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.679 5.179 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.322 7.725 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.066 6.141 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.364 6.448 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.980 5.373 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.290 7.006 7.664 1.00 0.00 H new ATOM 793 N GLU A 53 7.007 5.186 2.119 1.00 0.00 N ATOM 794 CA GLU A 53 7.952 4.799 1.110 1.00 0.00 C ATOM 795 C GLU A 53 7.771 5.720 -0.089 1.00 0.00 C ATOM 796 O GLU A 53 8.691 6.441 -0.482 1.00 0.00 O ATOM 797 CB GLU A 53 7.687 3.336 0.742 1.00 0.00 C ATOM 798 CG GLU A 53 8.393 2.276 1.584 1.00 0.00 C ATOM 799 CD GLU A 53 9.915 2.389 1.697 1.00 0.00 C ATOM 800 OE1 GLU A 53 10.412 3.243 2.474 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.629 1.541 1.106 1.00 0.00 O ATOM 0 H GLU A 53 6.203 4.559 2.152 1.00 0.00 H new ATOM 0 HA GLU A 53 8.980 4.886 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.613 3.159 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.975 3.190 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.974 2.306 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.154 1.297 1.168 1.00 0.00 H new ATOM 808 N ARG A 54 6.569 5.711 -0.676 1.00 0.00 N ATOM 809 CA ARG A 54 6.211 6.440 -1.869 1.00 0.00 C ATOM 810 C ARG A 54 6.356 7.954 -1.642 1.00 0.00 C ATOM 811 O ARG A 54 6.586 8.696 -2.595 1.00 0.00 O ATOM 812 CB ARG A 54 4.794 5.955 -2.213 1.00 0.00 C ATOM 813 CG ARG A 54 4.053 6.820 -3.214 1.00 0.00 C ATOM 814 CD ARG A 54 4.490 6.672 -4.673 1.00 0.00 C ATOM 815 NE ARG A 54 4.005 7.790 -5.498 1.00 0.00 N ATOM 816 CZ ARG A 54 2.749 8.069 -5.876 1.00 0.00 C ATOM 817 NH1 ARG A 54 1.710 7.318 -5.530 1.00 0.00 N ATOM 818 NH2 ARG A 54 2.516 9.144 -6.608 1.00 0.00 N ATOM 0 H ARG A 54 5.792 5.165 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 54 6.868 6.254 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.858 4.941 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.209 5.904 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.990 6.590 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.172 7.864 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.578 6.625 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.111 5.732 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 54 4.720 8.439 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.850 6.489 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.772 7.570 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.288 9.753 -6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.564 9.365 -6.901 1.00 0.00 H new ATOM 832 N LEU A 55 6.281 8.419 -0.391 1.00 0.00 N ATOM 833 CA LEU A 55 6.579 9.792 0.020 1.00 0.00 C ATOM 834 C LEU A 55 8.030 10.207 -0.259 1.00 0.00 C ATOM 835 O LEU A 55 8.336 11.396 -0.151 1.00 0.00 O ATOM 836 CB LEU A 55 6.218 9.991 1.507 1.00 0.00 C ATOM 837 CG LEU A 55 4.740 10.385 1.697 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.281 10.213 3.144 1.00 0.00 C ATOM 839 CD2 LEU A 55 4.476 11.838 1.274 1.00 0.00 C ATOM 0 H LEU A 55 6.001 7.827 0.391 1.00 0.00 H new ATOM 0 HA LEU A 55 5.960 10.449 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.421 9.071 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.857 10.764 1.934 1.00 0.00 H new ATOM 0 HG LEU A 55 4.172 9.710 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.234 10.502 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.395 9.170 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.887 10.843 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.423 12.075 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.088 12.509 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.730 11.962 0.221 1.00 0.00 H new ATOM 851 N GLY A 56 8.906 9.290 -0.682 1.00 0.00 N ATOM 852 CA GLY A 56 10.159 9.615 -1.348 1.00 0.00 C ATOM 853 C GLY A 56 11.393 9.112 -0.613 1.00 0.00 C ATOM 854 O GLY A 56 12.482 9.627 -0.862 1.00 0.00 O ATOM 0 H GLY A 56 8.757 8.288 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.147 9.190 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.230 10.697 -1.460 1.00 0.00 H new ATOM 858 N THR A 57 11.279 8.150 0.304 1.00 0.00 N ATOM 859 CA THR A 57 12.472 7.516 0.884 1.00 0.00 C ATOM 860 C THR A 57 13.211 6.738 -0.212 1.00 0.00 C ATOM 861 O THR A 57 14.441 6.687 -0.241 1.00 0.00 O ATOM 862 CB THR A 57 12.062 6.576 2.026 1.00 0.00 C ATOM 863 OG1 THR A 57 11.137 5.652 1.499 1.00 0.00 O ATOM 864 CG2 THR A 57 11.389 7.357 3.155 1.00 0.00 C ATOM 0 H THR A 57 10.391 7.795 0.659 1.00 0.00 H new ATOM 0 HA THR A 57 13.135 8.281 1.289 1.00 0.00 H new ATOM 0 HB THR A 57 12.944 6.079 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.092 4.865 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.107 6.671 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.082 8.103 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.498 7.855 2.772 1.00 0.00 H new ATOM 872 N LEU A 58 12.434 6.168 -1.136 1.00 0.00 N ATOM 873 CA LEU A 58 12.827 5.255 -2.195 1.00 0.00 C ATOM 874 C LEU A 58 13.950 5.864 -3.038 1.00 0.00 C ATOM 875 O LEU A 58 15.040 5.294 -3.086 1.00 0.00 O ATOM 876 CB LEU A 58 11.577 4.893 -3.027 1.00 0.00 C ATOM 877 CG LEU A 58 10.465 4.181 -2.222 1.00 0.00 C ATOM 878 CD1 LEU A 58 9.097 4.315 -2.892 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.715 2.691 -2.039 1.00 0.00 C ATOM 0 H LEU A 58 11.431 6.353 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 58 13.230 4.333 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.168 5.804 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.879 4.251 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 58 10.478 4.679 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.346 3.800 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.834 5.370 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.134 3.871 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.898 2.253 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.773 2.209 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.653 2.542 -1.505 1.00 0.00 H new ATOM 891 N LYS A 59 13.707 6.988 -3.726 1.00 0.00 N ATOM 892 CA LYS A 59 14.641 7.586 -4.690 1.00 0.00 C ATOM 893 C LYS A 59 14.441 9.101 -4.756 1.00 0.00 C ATOM 894 O LYS A 59 14.305 9.656 -5.851 1.00 0.00 O ATOM 895 CB LYS A 59 14.449 6.953 -6.087 1.00 0.00 C ATOM 896 CG LYS A 59 14.633 5.432 -6.138 1.00 0.00 C ATOM 897 CD LYS A 59 14.600 4.926 -7.578 1.00 0.00 C ATOM 898 CE LYS A 59 14.543 3.399 -7.553 1.00 0.00 C ATOM 899 NZ LYS A 59 14.730 2.829 -8.896 1.00 0.00 N ATOM 0 H LYS A 59 12.840 7.517 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 59 15.660 7.387 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.448 7.195 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.155 7.413 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.582 5.161 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.846 4.947 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.733 5.329 -8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.484 5.263 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.314 3.016 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.583 3.077 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.686 1.791 -8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.980 3.175 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.657 3.117 -9.269 1.00 0.00 H new ATOM 913 N ASN A 60 14.408 9.805 -3.623 1.00 0.00 N ATOM 914 CA ASN A 60 14.454 11.267 -3.631 1.00 0.00 C ATOM 915 C ASN A 60 15.591 11.746 -2.727 1.00 0.00 C ATOM 916 O ASN A 60 15.346 12.102 -1.574 1.00 0.00 O ATOM 917 CB ASN A 60 13.109 11.922 -3.292 1.00 0.00 C ATOM 918 CG ASN A 60 13.286 13.428 -3.418 1.00 0.00 C ATOM 919 OD1 ASN A 60 13.677 13.922 -4.474 1.00 0.00 O ATOM 920 ND2 ASN A 60 13.084 14.180 -2.358 1.00 0.00 N ATOM 0 H ASN A 60 14.350 9.389 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 60 14.660 11.591 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.330 11.570 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.797 11.656 -2.282 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.252 15.185 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.760 13.758 -1.488 1.00 0.00 H new ATOM 927 N PRO A 61 16.840 11.734 -3.213 1.00 0.00 N ATOM 928 CA PRO A 61 18.002 12.079 -2.407 1.00 0.00 C ATOM 929 C PRO A 61 18.072 13.600 -2.176 1.00 0.00 C ATOM 930 O PRO A 61 17.553 14.369 -2.995 1.00 0.00 O ATOM 931 CB PRO A 61 19.198 11.572 -3.218 1.00 0.00 C ATOM 932 CG PRO A 61 18.710 11.735 -4.655 1.00 0.00 C ATOM 933 CD PRO A 61 17.236 11.376 -4.564 1.00 0.00 C ATOM 0 HA PRO A 61 17.972 11.632 -1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 61 20.097 12.157 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.437 10.534 -2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.855 12.753 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 61 19.244 11.075 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.651 11.923 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.077 10.314 -4.753 1.00 0.00 H new ATOM 941 N PRO A 62 18.735 14.058 -1.102 1.00 0.00 N ATOM 942 CA PRO A 62 18.910 15.474 -0.820 1.00 0.00 C ATOM 943 C PRO A 62 19.980 16.109 -1.715 1.00 0.00 C ATOM 944 O PRO A 62 20.736 15.414 -2.406 1.00 0.00 O ATOM 945 CB PRO A 62 19.310 15.527 0.657 1.00 0.00 C ATOM 946 CG PRO A 62 20.104 14.237 0.837 1.00 0.00 C ATOM 947 CD PRO A 62 19.368 13.255 -0.069 1.00 0.00 C ATOM 0 HA PRO A 62 18.002 16.042 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.912 16.407 0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 62 18.439 15.561 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 62 21.145 14.359 0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.106 13.905 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 62 20.059 12.533 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.626 12.687 0.493 1.00 0.00 H new ATOM 955 N LYS A 63 20.072 17.443 -1.641 1.00 0.00 N ATOM 956 CA LYS A 63 20.950 18.298 -2.444 1.00 0.00 C ATOM 957 C LYS A 63 20.745 17.974 -3.928 1.00 0.00 C ATOM 958 O LYS A 63 21.692 17.767 -4.688 1.00 0.00 O ATOM 959 CB LYS A 63 22.399 18.195 -1.922 1.00 0.00 C ATOM 960 CG LYS A 63 23.268 19.451 -2.096 1.00 0.00 C ATOM 961 CD LYS A 63 23.622 19.735 -3.557 1.00 0.00 C ATOM 962 CE LYS A 63 24.664 20.846 -3.683 1.00 0.00 C ATOM 963 NZ LYS A 63 24.837 21.229 -5.097 1.00 0.00 N ATOM 0 H LYS A 63 19.506 17.981 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 63 20.698 19.354 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.365 17.945 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.889 17.365 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.741 20.311 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.187 19.333 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 63 24.002 18.826 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.721 20.018 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.353 21.713 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.616 20.510 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.548 21.985 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.154 20.403 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.931 21.569 -5.478 1.00 0.00 H new ATOM 977 N LYS A 64 19.478 17.868 -4.331 1.00 0.00 N ATOM 978 CA LYS A 64 19.073 17.668 -5.713 1.00 0.00 C ATOM 979 C LYS A 64 17.707 18.331 -5.866 1.00 0.00 C ATOM 980 O LYS A 64 17.656 19.563 -5.853 1.00 0.00 O ATOM 981 CB LYS A 64 19.157 16.170 -6.059 1.00 0.00 C ATOM 982 CG LYS A 64 19.148 15.941 -7.573 1.00 0.00 C ATOM 983 CD LYS A 64 19.338 14.466 -7.957 1.00 0.00 C ATOM 984 CE LYS A 64 18.088 13.619 -7.684 1.00 0.00 C ATOM 985 NZ LYS A 64 18.191 12.291 -8.323 1.00 0.00 N ATOM 0 H LYS A 64 18.690 17.921 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 64 19.731 18.137 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.066 15.748 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 64 18.317 15.643 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.204 16.299 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.940 16.535 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.593 14.400 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.180 14.055 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.955 13.499 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.205 14.138 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.332 11.741 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.294 12.408 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.020 11.788 -7.947 1.00 0.00 H new ATOM 999 N LYS A 65 16.600 17.576 -5.873 1.00 0.00 N ATOM 1000 CA LYS A 65 15.263 18.169 -5.887 1.00 0.00 C ATOM 1001 C LYS A 65 15.111 19.087 -4.678 1.00 0.00 C ATOM 1002 O LYS A 65 15.531 18.742 -3.566 1.00 0.00 O ATOM 1003 CB LYS A 65 14.181 17.082 -5.898 1.00 0.00 C ATOM 1004 CG LYS A 65 12.788 17.645 -6.227 1.00 0.00 C ATOM 1005 CD LYS A 65 11.679 16.600 -6.026 1.00 0.00 C ATOM 1006 CE LYS A 65 10.619 17.050 -5.010 1.00 0.00 C ATOM 1007 NZ LYS A 65 11.181 17.239 -3.657 1.00 0.00 N ATOM 0 H LYS A 65 16.607 16.556 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 65 15.138 18.756 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.444 16.319 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.152 16.593 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.589 18.510 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.773 17.994 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.197 16.399 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.124 15.664 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.169 17.984 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.821 16.309 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.419 17.172 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.891 16.502 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.629 18.175 -3.595 1.00 0.00 H new ATOM 1021 N MET A 66 14.520 20.251 -4.907 1.00 0.00 N ATOM 1022 CA MET A 66 14.223 21.269 -3.916 1.00 0.00 C ATOM 1023 C MET A 66 13.036 20.795 -3.071 1.00 0.00 C ATOM 1024 O MET A 66 12.366 19.814 -3.420 1.00 0.00 O ATOM 1025 CB MET A 66 13.927 22.576 -4.673 1.00 0.00 C ATOM 1026 CG MET A 66 15.150 23.045 -5.478 1.00 0.00 C ATOM 1027 SD MET A 66 14.789 24.310 -6.719 1.00 0.00 S ATOM 1028 CE MET A 66 16.310 24.187 -7.702 1.00 0.00 C ATOM 0 H MET A 66 14.219 20.523 -5.843 1.00 0.00 H new ATOM 0 HA MET A 66 15.056 21.445 -3.235 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.082 22.426 -5.345 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.636 23.351 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 66 15.897 23.435 -4.786 1.00 0.00 H new ATOM 0 HG3 MET A 66 15.595 22.183 -5.975 1.00 0.00 H new ATOM 0 HE1 MET A 66 16.270 24.901 -8.525 1.00 0.00 H new ATOM 0 HE2 MET A 66 17.170 24.408 -7.070 1.00 0.00 H new ATOM 0 HE3 MET A 66 16.404 23.177 -8.102 1.00 0.00 H new ATOM 1038 N LYS A 67 12.741 21.486 -1.972 1.00 0.00 N ATOM 1039 CA LYS A 67 11.511 21.296 -1.217 1.00 0.00 C ATOM 1040 C LYS A 67 11.220 22.618 -0.520 1.00 0.00 C ATOM 1041 O LYS A 67 11.783 22.869 0.548 1.00 0.00 O ATOM 1042 CB LYS A 67 11.647 20.129 -0.216 1.00 0.00 C ATOM 1043 CG LYS A 67 10.301 19.679 0.383 1.00 0.00 C ATOM 1044 CD LYS A 67 10.218 19.627 1.921 1.00 0.00 C ATOM 1045 CE LYS A 67 9.847 20.997 2.500 1.00 0.00 C ATOM 1046 NZ LYS A 67 9.354 20.946 3.894 1.00 0.00 N ATOM 0 H LYS A 67 13.356 22.199 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 67 10.683 21.025 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.115 19.282 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.314 20.429 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.524 20.353 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.069 18.687 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.476 18.888 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.175 19.303 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.721 21.647 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.081 21.451 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.124 21.908 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.501 20.352 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.090 20.542 4.508 1.00 0.00 H new ATOM 1060 N LEU A 68 10.380 23.458 -1.129 1.00 0.00 N ATOM 1061 CA LEU A 68 9.945 24.728 -0.544 1.00 0.00 C ATOM 1062 C LEU A 68 9.364 24.465 0.839 1.00 0.00 C ATOM 1063 O LEU A 68 8.821 23.383 1.066 1.00 0.00 O ATOM 1064 CB LEU A 68 8.850 25.371 -1.421 1.00 0.00 C ATOM 1065 CG LEU A 68 9.329 26.230 -2.601 1.00 0.00 C ATOM 1066 CD1 LEU A 68 10.017 27.504 -2.112 1.00 0.00 C ATOM 1067 CD2 LEU A 68 10.236 25.464 -3.573 1.00 0.00 C ATOM 0 H LEU A 68 9.980 23.274 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 68 10.801 25.400 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.217 24.575 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.222 25.991 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 68 8.434 26.506 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.345 28.092 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.317 28.090 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.880 27.240 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.541 26.125 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.120 25.109 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.693 24.613 -3.983 1.00 0.00 H new ATOM 1079 N MET A 69 9.401 25.447 1.738 1.00 0.00 N ATOM 1080 CA MET A 69 8.648 25.359 2.985 1.00 0.00 C ATOM 1081 C MET A 69 7.136 25.436 2.720 1.00 0.00 C ATOM 1082 O MET A 69 6.691 25.598 1.580 1.00 0.00 O ATOM 1083 CB MET A 69 9.154 26.394 3.997 1.00 0.00 C ATOM 1084 CG MET A 69 9.026 27.859 3.571 1.00 0.00 C ATOM 1085 SD MET A 69 9.583 28.980 4.882 1.00 0.00 S ATOM 1086 CE MET A 69 9.833 30.501 3.931 1.00 0.00 C ATOM 0 H MET A 69 9.940 26.306 1.627 1.00 0.00 H new ATOM 0 HA MET A 69 8.819 24.384 3.441 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.609 26.258 4.931 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.203 26.186 4.207 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.614 28.030 2.670 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.988 28.077 3.320 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.178 31.293 4.596 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.579 30.327 3.156 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.892 30.800 3.468 1.00 0.00 H new ATOM 1096 N ARG A 70 6.335 25.263 3.769 1.00 0.00 N ATOM 1097 CA ARG A 70 4.878 25.230 3.745 1.00 0.00 C ATOM 1098 C ARG A 70 4.433 26.174 4.830 1.00 0.00 C ATOM 1099 O ARG A 70 3.611 27.070 4.559 1.00 0.00 O ATOM 1100 CB ARG A 70 4.406 23.791 4.010 1.00 0.00 C ATOM 1101 CG ARG A 70 2.892 23.574 4.127 1.00 0.00 C ATOM 1102 CD ARG A 70 2.116 23.774 2.821 1.00 0.00 C ATOM 1103 NE ARG A 70 0.765 23.193 2.930 1.00 0.00 N ATOM 1104 CZ ARG A 70 0.435 21.903 2.796 1.00 0.00 C ATOM 1105 NH1 ARG A 70 1.277 21.008 2.291 1.00 0.00 N ATOM 1106 NH2 ARG A 70 -0.758 21.484 3.181 1.00 0.00 N ATOM 0 H ARG A 70 6.708 25.135 4.710 1.00 0.00 H new ATOM 0 HA ARG A 70 4.459 25.532 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.780 23.157 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.872 23.444 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.710 22.563 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.497 24.259 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.044 24.837 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.654 23.307 1.996 1.00 0.00 H new ATOM 0 HE ARG A 70 0.003 23.842 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.208 21.296 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.992 20.033 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.426 22.144 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.011 20.501 3.079 1.00 0.00 H new TER 1120 ARG A 70